smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164643441 719217381 /nfs/dbraw/zinc/21/73/81/719217381.db2.gz YVJKPLLLUMSRBP-MNOVXSKESA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1cccc(C)c1OCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943774 742943047 /nfs/dbraw/zinc/94/30/47/742943047.db2.gz WTHDNCVXFMMUCW-ZIAGYGMSSA-N 1 1 321.377 1.053 20 5 DDBDMO Cn1c[nH+]c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c1 ZINC001188995695 744806176 /nfs/dbraw/zinc/80/61/76/744806176.db2.gz MATSLGGMDIESDZ-UHFFFAOYSA-N 1 1 301.262 1.193 20 5 DDBDMO C[C@](N)(CCCC[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212339360 747919887 /nfs/dbraw/zinc/91/98/87/747919887.db2.gz YWIRILCXWUCNDG-ZDUSSCGKSA-N 1 1 324.316 1.482 20 5 DDBDMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001199793089 747998004 /nfs/dbraw/zinc/99/80/04/747998004.db2.gz WUBYGIHXDHOAON-UHFFFAOYSA-N 1 1 324.358 1.989 20 5 DDBDMO Cc1cc(NC(=O)N(C)CC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001202701549 749503894 /nfs/dbraw/zinc/50/38/94/749503894.db2.gz DMVUXJQEONUEQW-UHFFFAOYSA-N 1 1 310.354 1.291 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095625183 750093013 /nfs/dbraw/zinc/09/30/13/750093013.db2.gz BTJNMKYREQNDPO-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212894166 750930765 /nfs/dbraw/zinc/93/07/65/750930765.db2.gz RSCXKAKJWKVGDV-UHFFFAOYSA-N 1 1 313.277 1.076 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997770798 751270684 /nfs/dbraw/zinc/27/06/84/751270684.db2.gz YVHFSEVYHFZMEB-HUUCEWRRSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169011892 762178064 /nfs/dbraw/zinc/17/80/64/762178064.db2.gz NGLQVFVMIOGKKA-UWVGGRQHSA-N 1 1 309.288 1.138 20 5 DDBDMO CC(=O)N1CCCC[C@]12CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169030353 762186370 /nfs/dbraw/zinc/18/63/70/762186370.db2.gz YYQFHTZRXZOLFS-HRCADAONSA-N 1 1 309.410 1.909 20 5 DDBDMO O=C1CC[C@H]2[C@H](CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019306 762199977 /nfs/dbraw/zinc/19/99/77/762199977.db2.gz HOAZBEKFZLGCFT-VGWMRTNUSA-N 1 1 321.421 1.907 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023822 762202305 /nfs/dbraw/zinc/20/23/05/762202305.db2.gz FLWKVSDPPWPYRE-QXSJWSMHSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023822 762202309 /nfs/dbraw/zinc/20/23/09/762202309.db2.gz FLWKVSDPPWPYRE-QXSJWSMHSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023822 762202319 /nfs/dbraw/zinc/20/23/19/762202319.db2.gz FLWKVSDPPWPYRE-QXSJWSMHSA-N 1 1 309.410 1.227 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001020138895 760613100 /nfs/dbraw/zinc/61/31/00/760613100.db2.gz GUUUSHOZWNXCFO-KBUPBQIOSA-N 1 1 318.377 1.100 20 5 DDBDMO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001020138966 760613146 /nfs/dbraw/zinc/61/31/46/760613146.db2.gz KGEPOXCWYXWQBL-DDHJBXDOSA-N 1 1 324.406 1.162 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001020139530 760614077 /nfs/dbraw/zinc/61/40/77/760614077.db2.gz CYNDEXLUGBYMKT-FDYHWXHSSA-N 1 1 309.391 1.459 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084401 760944440 /nfs/dbraw/zinc/94/44/40/760944440.db2.gz PLQBNRGMWGWLGR-YVECIDJPSA-N 1 1 309.391 1.398 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363440 761493199 /nfs/dbraw/zinc/49/31/99/761493199.db2.gz URTPAOXKIXEMEF-KBUPBQIOSA-N 1 1 307.394 1.636 20 5 DDBDMO CCc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001130351885 767463263 /nfs/dbraw/zinc/46/32/63/767463263.db2.gz LPBKJAOPLSKKQW-UHFFFAOYSA-N 1 1 321.337 1.003 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)n1 ZINC001170965889 771969780 /nfs/dbraw/zinc/96/97/80/771969780.db2.gz XKWFCCKDAMQLFV-GMTAPVOTSA-N 1 1 320.349 1.671 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCn1cc[nH+]c1C(C)C ZINC001136690811 772088077 /nfs/dbraw/zinc/08/80/77/772088077.db2.gz UTGKEMTZBHVUJS-UHFFFAOYSA-N 1 1 320.353 1.236 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100149761 775735488 /nfs/dbraw/zinc/73/54/88/775735488.db2.gz PGUUVFFBHMJPGN-UHFFFAOYSA-N 1 1 308.382 1.487 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094574535 776049559 /nfs/dbraw/zinc/04/95/59/776049559.db2.gz YVVKWKIHVOZJPX-UHFFFAOYSA-N 1 1 309.370 1.250 20 5 DDBDMO CCN(CCNC(=O)CC[N@@H+](C)CC)c1ccccc1[N+](=O)[O-] ZINC001100607000 776358633 /nfs/dbraw/zinc/35/86/33/776358633.db2.gz GUENKZOJKXCRIS-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO CN(CCO)CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906299 776917196 /nfs/dbraw/zinc/91/71/96/776917196.db2.gz NXMNGBRYGRMOCH-INIZCTEOSA-N 1 1 321.421 1.746 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001173227391 777062603 /nfs/dbraw/zinc/06/26/03/777062603.db2.gz OCRIOMMJHBTCIP-LNSITVRQSA-N 1 1 303.362 1.546 20 5 DDBDMO COC(=O)C[C@H]1COCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231914 777063471 /nfs/dbraw/zinc/06/34/71/777063471.db2.gz OTFMTZKPJQMVRV-WFASDCNBSA-N 1 1 322.361 1.790 20 5 DDBDMO COC(=O)C[C@H]1COCC[N@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231914 777063479 /nfs/dbraw/zinc/06/34/79/777063479.db2.gz OTFMTZKPJQMVRV-WFASDCNBSA-N 1 1 322.361 1.790 20 5 DDBDMO COCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463935 779060945 /nfs/dbraw/zinc/06/09/45/779060945.db2.gz OFRBHYQUWZTXCM-ZIAGYGMSSA-N 1 1 315.414 1.344 20 5 DDBDMO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000697622146 779669217 /nfs/dbraw/zinc/66/92/17/779669217.db2.gz VIHYXOFQLLFZKV-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC001117243985 780693555 /nfs/dbraw/zinc/69/35/55/780693555.db2.gz NPOXBTOUWCEJDZ-CQSZACIVSA-N 1 1 321.425 1.404 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001119327193 781405621 /nfs/dbraw/zinc/40/56/21/781405621.db2.gz HNEBYXKLCPENGB-ZFWWWQNUSA-N 1 1 319.361 1.274 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001119327193 781405626 /nfs/dbraw/zinc/40/56/26/781405626.db2.gz HNEBYXKLCPENGB-ZFWWWQNUSA-N 1 1 319.361 1.274 20 5 DDBDMO COc1ncnc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021295 850518432 /nfs/dbraw/zinc/51/84/32/850518432.db2.gz KLLPFFRQTUERTH-NWDGAFQWSA-N 1 1 306.366 1.331 20 5 DDBDMO COCC[NH+](CCOC)C1CN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC001327911163 862558350 /nfs/dbraw/zinc/55/83/50/862558350.db2.gz LLQBMOPKVLCRLB-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCCn2cnnc2)ncc1[N+](=O)[O-] ZINC001158039291 864382485 /nfs/dbraw/zinc/38/24/85/864382485.db2.gz LEAQYUWGOKWUKF-HWKANZROSA-N 1 1 303.326 1.226 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001330570312 864458400 /nfs/dbraw/zinc/45/84/00/864458400.db2.gz AESZOOKKNROUAC-UXIGCNINSA-N 1 1 321.377 1.569 20 5 DDBDMO CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494827 864688095 /nfs/dbraw/zinc/68/80/95/864688095.db2.gz RAYDYMCVWBOMJD-JTQLQIEISA-N 1 1 309.326 1.817 20 5 DDBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001331273570 864980989 /nfs/dbraw/zinc/98/09/89/864980989.db2.gz AZSXHBIFUHJCPK-LLVKDONJSA-N 1 1 324.312 1.017 20 5 DDBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001331273570 864980996 /nfs/dbraw/zinc/98/09/96/864980996.db2.gz AZSXHBIFUHJCPK-LLVKDONJSA-N 1 1 324.312 1.017 20 5 DDBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001159743576 865495592 /nfs/dbraw/zinc/49/55/92/865495592.db2.gz JQGHEPNGUWHRDV-SECBINFHSA-N 1 1 307.763 1.229 20 5 DDBDMO O=C1C[NH2+]CCN1CCNc1ccc2ccc3cccnc3c2n1 ZINC001161019415 866278355 /nfs/dbraw/zinc/27/83/55/866278355.db2.gz MWKUKPDCPVVICC-UHFFFAOYSA-N 1 1 321.384 1.627 20 5 DDBDMO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC001323443999 866614009 /nfs/dbraw/zinc/61/40/09/866614009.db2.gz UAWFNJMZPLCZHH-TZMCWYRMSA-N 1 1 321.352 1.538 20 5 DDBDMO CN1Cc2cc(NC[C@H]3C[N@H+](C)CCO3)cc([N+](=O)[O-])c2N1 ZINC001162693997 867741498 /nfs/dbraw/zinc/74/14/98/867741498.db2.gz KNTSGDOAIGRLLI-LBPRGKRZSA-N 1 1 307.354 1.110 20 5 DDBDMO CN1Cc2cc(NC[C@H]3C[N@@H+](C)CCO3)cc([N+](=O)[O-])c2N1 ZINC001162693997 867741505 /nfs/dbraw/zinc/74/15/05/867741505.db2.gz KNTSGDOAIGRLLI-LBPRGKRZSA-N 1 1 307.354 1.110 20 5 DDBDMO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001162875396 867887985 /nfs/dbraw/zinc/88/79/85/867887985.db2.gz CBUVXFUKLWRRMA-GFCCVEGCSA-N 1 1 323.397 1.731 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)o1 ZINC001322340759 868122969 /nfs/dbraw/zinc/12/29/69/868122969.db2.gz ULLAGALIGDOEBA-UHFFFAOYSA-N 1 1 314.305 1.892 20 5 DDBDMO CC[NH+](CC)CCNC(=N)Nc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001163125553 868128266 /nfs/dbraw/zinc/12/82/66/868128266.db2.gz FHDOXOOVDPADJP-UHFFFAOYSA-N 1 1 324.385 1.585 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001335230802 868157964 /nfs/dbraw/zinc/15/79/64/868157964.db2.gz REBSTVOKKFOCFN-IAQYHMDHSA-N 1 1 318.377 1.755 20 5 DDBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ncc([N+](=O)[O-])s1)C2 ZINC001163636083 868578345 /nfs/dbraw/zinc/57/83/45/868578345.db2.gz VLXXAUUBZHLADC-VIFPVBQESA-N 1 1 323.378 1.518 20 5 DDBDMO Cn1c(Cl)cnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335888687 868599215 /nfs/dbraw/zinc/59/92/15/868599215.db2.gz APBCXGYEDGZYSM-LLVKDONJSA-N 1 1 310.741 1.805 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339268225 870430354 /nfs/dbraw/zinc/43/03/54/870430354.db2.gz XCOVECHBCROMJM-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO Cc1c(CNC(=O)[C@H]2[NH2+]CCc3occc32)cccc1[N+](=O)[O-] ZINC001340236936 870975611 /nfs/dbraw/zinc/97/56/11/870975611.db2.gz OLHYSWKVKNHGRX-HNNXBMFYSA-N 1 1 315.329 1.999 20 5 DDBDMO Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2N)[nH+]c1 ZINC001303956819 871170851 /nfs/dbraw/zinc/17/08/51/871170851.db2.gz TYXPWWWLSAIXSL-UHFFFAOYSA-N 1 1 315.333 1.722 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001308108816 871471376 /nfs/dbraw/zinc/47/13/76/871471376.db2.gz MKFPHSMQZMAEDC-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001308982662 871542372 /nfs/dbraw/zinc/54/23/72/871542372.db2.gz FVLIVSWWJKWIIW-ZIAGYGMSSA-N 1 1 308.378 1.634 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001350754895 875873102 /nfs/dbraw/zinc/87/31/02/875873102.db2.gz XTVIXRFTWNABFF-NSHDSACASA-N 1 1 321.337 1.112 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001352216038 876649901 /nfs/dbraw/zinc/64/99/01/876649901.db2.gz GNLJMOFSEWSNBC-LBPRGKRZSA-N 1 1 303.362 1.821 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001353895338 877635317 /nfs/dbraw/zinc/63/53/17/877635317.db2.gz TVOYUUWNPPFVLM-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@@H+](C)C1 ZINC001222772316 880693438 /nfs/dbraw/zinc/69/34/38/880693438.db2.gz ALTRDJSUZIZNOL-NSHDSACASA-N 1 1 308.334 1.992 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222932106 880749241 /nfs/dbraw/zinc/74/92/41/880749241.db2.gz QCJOCNUCCFXMAS-GFCCVEGCSA-N 1 1 321.333 1.973 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223292833 880908979 /nfs/dbraw/zinc/90/89/79/880908979.db2.gz AJTJJWMSZGDPRC-GFCCVEGCSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[N@H+]1CC[C@H](OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223413622 880951959 /nfs/dbraw/zinc/95/19/59/880951959.db2.gz MHOOCIOSSDZKBQ-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654009 883598000 /nfs/dbraw/zinc/59/80/00/883598000.db2.gz DLNUXBSTSZTSML-NWDGAFQWSA-N 1 1 315.333 1.994 20 5 DDBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654009 883598010 /nfs/dbraw/zinc/59/80/10/883598010.db2.gz DLNUXBSTSZTSML-NWDGAFQWSA-N 1 1 315.333 1.994 20 5 DDBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1[N@H+]2C ZINC001233858967 887397252 /nfs/dbraw/zinc/39/72/52/887397252.db2.gz IZUYNXQVGDWGNJ-DEQVHRJGSA-N 1 1 321.333 1.535 20 5 DDBDMO N[C@]12CC[C@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865057 892953472 /nfs/dbraw/zinc/95/34/72/892953472.db2.gz XVZNMKRVJWRGNR-GUYCJALGSA-N 1 1 316.405 1.987 20 5 DDBDMO N[C@]12CC[C@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865057 892953483 /nfs/dbraw/zinc/95/34/83/892953483.db2.gz XVZNMKRVJWRGNR-GUYCJALGSA-N 1 1 316.405 1.987 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001254554550 896499193 /nfs/dbraw/zinc/49/91/93/896499193.db2.gz BOISKXGTLPDPLW-MAZHCROVSA-N 1 1 305.378 1.541 20 5 DDBDMO CC(=O)N[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600391 896523674 /nfs/dbraw/zinc/52/36/74/896523674.db2.gz PNCYLLMBLZESCU-HOCLYGCPSA-N 1 1 303.362 1.663 20 5 DDBDMO COc1cc(N2CCC(N[C@@H]3C[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256087526 897277663 /nfs/dbraw/zinc/27/76/63/897277663.db2.gz DPVFOBJWPXHDTD-CHWSQXEVSA-N 1 1 306.366 1.261 20 5 DDBDMO Cc1cc(NC(=O)NCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001263655945 900663068 /nfs/dbraw/zinc/66/30/68/900663068.db2.gz XNWBJLGJRGWLEE-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO CC[C@]1(O)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000495202228 529443207 /nfs/dbraw/zinc/44/32/07/529443207.db2.gz NRUVBGWANVSHDH-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000495202228 529443210 /nfs/dbraw/zinc/44/32/10/529443210.db2.gz NRUVBGWANVSHDH-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000614934628 362084895 /nfs/dbraw/zinc/08/48/95/362084895.db2.gz AVLKBCQZAONQOU-JTQLQIEISA-N 1 1 308.338 1.819 20 5 DDBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000090550399 185302531 /nfs/dbraw/zinc/30/25/31/185302531.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 1 1 308.382 1.030 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444671534 529898573 /nfs/dbraw/zinc/89/85/73/529898573.db2.gz CKWURWCSKUILCG-ZDUSSCGKSA-N 1 1 305.338 1.331 20 5 DDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000305789353 529928410 /nfs/dbraw/zinc/92/84/10/529928410.db2.gz ZMDPIFANXRECCK-LLVKDONJSA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000305789353 529928412 /nfs/dbraw/zinc/92/84/12/529928412.db2.gz ZMDPIFANXRECCK-LLVKDONJSA-N 1 1 308.256 1.829 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)C[NH3+] ZINC000418520262 529933624 /nfs/dbraw/zinc/93/36/24/529933624.db2.gz CSDUKBFYZNZPEU-UHFFFAOYSA-N 1 1 316.308 1.373 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000041967725 352321867 /nfs/dbraw/zinc/32/18/67/352321867.db2.gz GGKRMRLPUUUTAT-UHFFFAOYSA-N 1 1 315.395 1.663 20 5 DDBDMO COc1ccc(C[N@H+](CC(N)=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000052826691 352626253 /nfs/dbraw/zinc/62/62/53/352626253.db2.gz BKTGKTZFVTXIKQ-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1ccc(C[N@@H+](CC(N)=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000052826691 352626256 /nfs/dbraw/zinc/62/62/56/352626256.db2.gz BKTGKTZFVTXIKQ-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173101625 198184386 /nfs/dbraw/zinc/18/43/86/198184386.db2.gz GUMGIIAIKXVUAB-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000064336999 352934342 /nfs/dbraw/zinc/93/43/42/352934342.db2.gz RPDFTKVLHXIVLU-VHSXEESVSA-N 1 1 309.370 1.477 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069528142 353165342 /nfs/dbraw/zinc/16/53/42/353165342.db2.gz MXZQHBIWKKQHDJ-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074073544 353288941 /nfs/dbraw/zinc/28/89/41/353288941.db2.gz GXVMGARAJXEGIB-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000076991781 353447457 /nfs/dbraw/zinc/44/74/57/353447457.db2.gz LGFMKRMXAKSBRL-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000080948224 353638540 /nfs/dbraw/zinc/63/85/40/353638540.db2.gz OPDGNUNFSBVAHF-UHFFFAOYSA-N 1 1 324.337 1.662 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000093333452 353895482 /nfs/dbraw/zinc/89/54/82/353895482.db2.gz ILPWCNORGBGEOA-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000093333452 353895486 /nfs/dbraw/zinc/89/54/86/353895486.db2.gz ILPWCNORGBGEOA-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1sc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833225 354222266 /nfs/dbraw/zinc/22/22/66/354222266.db2.gz WIAREDSNPPBDEK-KCJUWKMLSA-N 1 1 313.379 1.414 20 5 DDBDMO Cc1sc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833225 354222269 /nfs/dbraw/zinc/22/22/69/354222269.db2.gz WIAREDSNPPBDEK-KCJUWKMLSA-N 1 1 313.379 1.414 20 5 DDBDMO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000314329345 354484853 /nfs/dbraw/zinc/48/48/53/354484853.db2.gz ITBUESHYYVKGLF-UHFFFAOYSA-N 1 1 321.358 1.532 20 5 DDBDMO Nc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309779 354881934 /nfs/dbraw/zinc/88/19/34/354881934.db2.gz QUGNMBCJONQTNA-WCQYABFASA-N 1 1 306.366 1.708 20 5 DDBDMO Cn1c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000495123415 235128967 /nfs/dbraw/zinc/12/89/67/235128967.db2.gz VELDELJYKJMJJZ-NEPJUHHUSA-N 1 1 306.366 1.490 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590573513 355117500 /nfs/dbraw/zinc/11/75/00/355117500.db2.gz ZOGOEAPMODYPDR-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590443462 355097881 /nfs/dbraw/zinc/09/78/81/355097881.db2.gz KKVUJZJVTKDJAD-ZWNOBZJWSA-N 1 1 304.350 1.413 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3cn[nH]n3)CC2)c1 ZINC000590604637 355128259 /nfs/dbraw/zinc/12/82/59/355128259.db2.gz LMERXHNGVYSJNH-UHFFFAOYSA-N 1 1 302.338 1.078 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000590776542 355176648 /nfs/dbraw/zinc/17/66/48/355176648.db2.gz WNAXXCHLRWVNTJ-SMDDNHRTSA-N 1 1 319.361 1.688 20 5 DDBDMO CC(=O)N[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476884 355320693 /nfs/dbraw/zinc/32/06/93/355320693.db2.gz MSMQDDOOUPBNLU-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000593036806 355776562 /nfs/dbraw/zinc/77/65/62/355776562.db2.gz UMKDYIOVSVHPBY-DGCLKSJQSA-N 1 1 322.361 1.974 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)n1 ZINC000593188911 355821145 /nfs/dbraw/zinc/82/11/45/355821145.db2.gz FGIUHUPMZOOEGL-OUAUKWLOSA-N 1 1 309.370 1.364 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)n1 ZINC000593188911 355821148 /nfs/dbraw/zinc/82/11/48/355821148.db2.gz FGIUHUPMZOOEGL-OUAUKWLOSA-N 1 1 309.370 1.364 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032470 355774940 /nfs/dbraw/zinc/77/49/40/355774940.db2.gz XZZLOOUIXGOURI-TZMCWYRMSA-N 1 1 324.333 1.275 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593414965 355878376 /nfs/dbraw/zinc/87/83/76/355878376.db2.gz HLEDRYYSONNNKN-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593505593 355906617 /nfs/dbraw/zinc/90/66/17/355906617.db2.gz YAKPZRUQYDEXLS-AWEZNQCLSA-N 1 1 313.361 1.748 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000593578990 355932748 /nfs/dbraw/zinc/93/27/48/355932748.db2.gz RQBUIIFUODOSOX-MNOVXSKESA-N 1 1 309.341 1.827 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000593420862 355880573 /nfs/dbraw/zinc/88/05/73/355880573.db2.gz IJLAUQFQUWZODC-LBPRGKRZSA-N 1 1 307.325 1.629 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026163 356093100 /nfs/dbraw/zinc/09/31/00/356093100.db2.gz DWROADFVBNQBCV-OAHLLOKOSA-N 1 1 321.377 1.790 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[N+](=O)[O-] ZINC000595289534 356434586 /nfs/dbraw/zinc/43/45/86/356434586.db2.gz DWAPIZBRRBSCBO-LBPRGKRZSA-N 1 1 322.365 1.629 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1[N+](=O)[O-] ZINC000595289534 356434591 /nfs/dbraw/zinc/43/45/91/356434591.db2.gz DWAPIZBRRBSCBO-LBPRGKRZSA-N 1 1 322.365 1.629 20 5 DDBDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081520575 192279640 /nfs/dbraw/zinc/27/96/40/192279640.db2.gz ZTFPTVMSBNNCOZ-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081520575 192279643 /nfs/dbraw/zinc/27/96/43/192279643.db2.gz ZTFPTVMSBNNCOZ-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CCCO1 ZINC000347094712 283176106 /nfs/dbraw/zinc/17/61/06/283176106.db2.gz DZNWNCIHDJSWHG-GFCCVEGCSA-N 1 1 324.381 1.164 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607890 356574402 /nfs/dbraw/zinc/57/44/02/356574402.db2.gz LKGUGIQROIRKRL-NSHDSACASA-N 1 1 305.313 1.848 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595756497 356638257 /nfs/dbraw/zinc/63/82/57/356638257.db2.gz GMPCFPUGDNDKMI-LRDDRELGSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595756497 356638259 /nfs/dbraw/zinc/63/82/59/356638259.db2.gz GMPCFPUGDNDKMI-LRDDRELGSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835110 356671108 /nfs/dbraw/zinc/67/11/08/356671108.db2.gz UNVHUHAKPXALEJ-OLZOCXBDSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835110 356671111 /nfs/dbraw/zinc/67/11/11/356671111.db2.gz UNVHUHAKPXALEJ-OLZOCXBDSA-N 1 1 319.361 1.810 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829825 356668094 /nfs/dbraw/zinc/66/80/94/356668094.db2.gz ILBFDPUHCPWWIL-NWDGAFQWSA-N 1 1 305.334 1.502 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829825 356668097 /nfs/dbraw/zinc/66/80/97/356668097.db2.gz ILBFDPUHCPWWIL-NWDGAFQWSA-N 1 1 305.334 1.502 20 5 DDBDMO Cc1c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864500 356682798 /nfs/dbraw/zinc/68/27/98/356682798.db2.gz BGIJJSGBNMBVMT-INIZCTEOSA-N 1 1 319.405 1.934 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596148173 356791410 /nfs/dbraw/zinc/79/14/10/356791410.db2.gz ZAXHNSGEQGWPRT-UHFFFAOYSA-N 1 1 309.370 1.119 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)CO1 ZINC000596432131 356878045 /nfs/dbraw/zinc/87/80/45/356878045.db2.gz QMHVUIHBEFDTJX-WDEREUQCSA-N 1 1 322.365 1.215 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)CO1 ZINC000596432131 356878047 /nfs/dbraw/zinc/87/80/47/356878047.db2.gz QMHVUIHBEFDTJX-WDEREUQCSA-N 1 1 322.365 1.215 20 5 DDBDMO CCC[N@H+]1CC[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000596516253 356903173 /nfs/dbraw/zinc/90/31/73/356903173.db2.gz DEVOUTZVPPXMLU-NSHDSACASA-N 1 1 322.365 1.981 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1COCC[NH2+]1 ZINC000237256982 202208321 /nfs/dbraw/zinc/20/83/21/202208321.db2.gz HSDOCWANYOEXFU-LBPRGKRZSA-N 1 1 313.741 1.195 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000597714278 357299083 /nfs/dbraw/zinc/29/90/83/357299083.db2.gz HYYWNJNVSCZKMO-HNNXBMFYSA-N 1 1 321.381 1.126 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859331 357361645 /nfs/dbraw/zinc/36/16/45/357361645.db2.gz UOYDIHCPVZBIJL-NSHDSACASA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923777 357383740 /nfs/dbraw/zinc/38/37/40/357383740.db2.gz POQMNVMFRCGDEP-LLVKDONJSA-N 1 1 309.370 1.089 20 5 DDBDMO C[C@H](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000597999828 357415923 /nfs/dbraw/zinc/41/59/23/357415923.db2.gz SFYGGBYLWJESHZ-SECBINFHSA-N 1 1 305.338 1.541 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000598648476 357669267 /nfs/dbraw/zinc/66/92/67/357669267.db2.gz RYJWXIMRZIMVHH-WDEREUQCSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000598648476 357669271 /nfs/dbraw/zinc/66/92/71/357669271.db2.gz RYJWXIMRZIMVHH-WDEREUQCSA-N 1 1 304.350 1.921 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599079326 357808878 /nfs/dbraw/zinc/80/88/78/357808878.db2.gz DPHGMXADXIUISU-CQSZACIVSA-N 1 1 302.334 1.654 20 5 DDBDMO CCC(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199160 357847454 /nfs/dbraw/zinc/84/74/54/357847454.db2.gz FTQBQTUTGZPLRI-LBPRGKRZSA-N 1 1 307.350 1.666 20 5 DDBDMO CCC(=O)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199160 357847458 /nfs/dbraw/zinc/84/74/58/357847458.db2.gz FTQBQTUTGZPLRI-LBPRGKRZSA-N 1 1 307.350 1.666 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568171 357976905 /nfs/dbraw/zinc/97/69/05/357976905.db2.gz QVEWEMFEVDZEMP-NHYWBVRUSA-N 1 1 308.334 1.920 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000599600126 357988406 /nfs/dbraw/zinc/98/84/06/357988406.db2.gz YOOSLURCAYKTKK-KCQAQPDRSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000599600126 357988410 /nfs/dbraw/zinc/98/84/10/357988410.db2.gz YOOSLURCAYKTKK-KCQAQPDRSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3nc(C4CC4)ncc3C2)n1 ZINC000599619786 357994575 /nfs/dbraw/zinc/99/45/75/357994575.db2.gz OYZFHLRJRXJIHK-UHFFFAOYSA-N 1 1 314.349 1.517 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599646023 358006136 /nfs/dbraw/zinc/00/61/36/358006136.db2.gz YLNVMGUSVQAYDR-BJHJDKERSA-N 1 1 307.350 1.559 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599656517 358010887 /nfs/dbraw/zinc/01/08/87/358010887.db2.gz WVKJTTZAQPJSNC-FRRDWIJNSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1c(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599701486 358032355 /nfs/dbraw/zinc/03/23/55/358032355.db2.gz IZSQLHGKCQSNQV-LLVKDONJSA-N 1 1 308.338 1.091 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180531162 199172001 /nfs/dbraw/zinc/17/20/01/199172001.db2.gz KYMQVRDPRBGTDJ-JTQLQIEISA-N 1 1 307.354 1.176 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](O)[C@@H]3CCCO3)c2c1 ZINC000601201016 358445211 /nfs/dbraw/zinc/44/52/11/358445211.db2.gz JVICIHBNMZFSBM-GJZGRUSLSA-N 1 1 303.318 1.517 20 5 DDBDMO O=C1CC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCN1 ZINC000601175977 358434672 /nfs/dbraw/zinc/43/46/72/358434672.db2.gz MELSJVFEYOPZIQ-SNVBAGLBSA-N 1 1 300.318 1.646 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601186366 358439203 /nfs/dbraw/zinc/43/92/03/358439203.db2.gz NOVGYWAHOMLUQC-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601186366 358439205 /nfs/dbraw/zinc/43/92/05/358439205.db2.gz NOVGYWAHOMLUQC-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOC[C@H]3CCOC3)nc2c1 ZINC000602534677 359032187 /nfs/dbraw/zinc/03/21/87/359032187.db2.gz JAHJQHYJRJONIM-NSHDSACASA-N 1 1 321.333 1.879 20 5 DDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185845820 199894219 /nfs/dbraw/zinc/89/42/19/199894219.db2.gz IOKVAZRWXJWYKE-GFCCVEGCSA-N 1 1 313.379 1.310 20 5 DDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185845820 199894221 /nfs/dbraw/zinc/89/42/21/199894221.db2.gz IOKVAZRWXJWYKE-GFCCVEGCSA-N 1 1 313.379 1.310 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000602775665 359182327 /nfs/dbraw/zinc/18/23/27/359182327.db2.gz MAFJAVFFTSAAQN-GXSJLCMTSA-N 1 1 322.287 1.487 20 5 DDBDMO CCOC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC000602780943 359185950 /nfs/dbraw/zinc/18/59/50/359185950.db2.gz DFWDQLUJNMACFF-UHFFFAOYSA-N 1 1 312.370 1.763 20 5 DDBDMO CCOC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC000602780943 359185953 /nfs/dbraw/zinc/18/59/53/359185953.db2.gz DFWDQLUJNMACFF-UHFFFAOYSA-N 1 1 312.370 1.763 20 5 DDBDMO COCCO[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602795267 359197847 /nfs/dbraw/zinc/19/78/47/359197847.db2.gz ADBXHDQYXPLJGD-ZDUSSCGKSA-N 1 1 312.370 1.227 20 5 DDBDMO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccnc1 ZINC000602812621 359209164 /nfs/dbraw/zinc/20/91/64/359209164.db2.gz AOPOPRQRTAUVPG-UHFFFAOYSA-N 1 1 319.365 1.643 20 5 DDBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1cccnc1 ZINC000602812621 359209166 /nfs/dbraw/zinc/20/91/66/359209166.db2.gz AOPOPRQRTAUVPG-UHFFFAOYSA-N 1 1 319.365 1.643 20 5 DDBDMO [NH3+]C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000237768805 202351392 /nfs/dbraw/zinc/35/13/92/202351392.db2.gz WDRYIVADKHJLJA-UHFFFAOYSA-N 1 1 317.349 1.863 20 5 DDBDMO COC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000189420958 200398878 /nfs/dbraw/zinc/39/88/78/200398878.db2.gz ASHYMNOAKIYZHY-IUODEOHRSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000189420958 200398879 /nfs/dbraw/zinc/39/88/79/200398879.db2.gz ASHYMNOAKIYZHY-IUODEOHRSA-N 1 1 310.350 1.709 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000609269711 360285949 /nfs/dbraw/zinc/28/59/49/360285949.db2.gz VXNSBHDCOFPKOV-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO CC(C)(C)C[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000609483487 360312415 /nfs/dbraw/zinc/31/24/15/360312415.db2.gz MSXYCXSIPQLRBI-UHFFFAOYSA-N 1 1 309.366 1.874 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609584787 360328938 /nfs/dbraw/zinc/32/89/38/360328938.db2.gz IWBWVYPYXQCXTN-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000609584781 360329195 /nfs/dbraw/zinc/32/91/95/360329195.db2.gz ITLHELYXWFRKQB-GFCCVEGCSA-N 1 1 321.377 1.699 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCOCC2)n1 ZINC000611616853 360777497 /nfs/dbraw/zinc/77/74/97/360777497.db2.gz QWLVLGCAUYLBSS-NSHDSACASA-N 1 1 308.382 1.987 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000613130200 361282691 /nfs/dbraw/zinc/28/26/91/361282691.db2.gz ABAPDAZDUQURPR-OAHLLOKOSA-N 1 1 310.350 1.447 20 5 DDBDMO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000619252140 363945602 /nfs/dbraw/zinc/94/56/02/363945602.db2.gz FEUDVSHJUGYHKW-VXGBXAGGSA-N 1 1 322.340 1.435 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516993 364048401 /nfs/dbraw/zinc/04/84/01/364048401.db2.gz SRJUTHBBAUVZFU-MFKMUULPSA-N 1 1 321.333 1.708 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516993 364048405 /nfs/dbraw/zinc/04/84/05/364048405.db2.gz SRJUTHBBAUVZFU-MFKMUULPSA-N 1 1 321.333 1.708 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261924354 203154271 /nfs/dbraw/zinc/15/42/71/203154271.db2.gz IWUQUCZDOQBZNV-CYBMUJFWSA-N 1 1 318.308 1.849 20 5 DDBDMO Cc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000093756224 193300139 /nfs/dbraw/zinc/30/01/39/193300139.db2.gz VLSCXXSBWDDDIL-UHFFFAOYSA-N 1 1 314.345 1.555 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000093756224 193300142 /nfs/dbraw/zinc/30/01/42/193300142.db2.gz VLSCXXSBWDDDIL-UHFFFAOYSA-N 1 1 314.345 1.555 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000264685207 204077717 /nfs/dbraw/zinc/07/77/17/204077717.db2.gz QVVLADVPPRKYIQ-NSHDSACASA-N 1 1 323.397 1.732 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264781575 204150569 /nfs/dbraw/zinc/15/05/69/204150569.db2.gz QVFLFHLOONIBEF-NSHDSACASA-N 1 1 309.326 1.161 20 5 DDBDMO COc1cc(C(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000264960421 204305465 /nfs/dbraw/zinc/30/54/65/204305465.db2.gz MESQQJWWNRYSRP-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288342105 220096811 /nfs/dbraw/zinc/09/68/11/220096811.db2.gz ISEDWBLMSBAAOG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288342105 220096812 /nfs/dbraw/zinc/09/68/12/220096812.db2.gz ISEDWBLMSBAAOG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C1CCCN1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000076996341 248213337 /nfs/dbraw/zinc/21/33/37/248213337.db2.gz KFVSKKYYVLRXQT-UHFFFAOYSA-N 1 1 318.377 1.339 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000173527739 248342030 /nfs/dbraw/zinc/34/20/30/248342030.db2.gz RUVOMUIPMDZAMS-LBPRGKRZSA-N 1 1 310.350 1.829 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284481185 218044837 /nfs/dbraw/zinc/04/48/37/218044837.db2.gz AWCVUDAWKDAUMK-HOCLYGCPSA-N 1 1 321.377 1.379 20 5 DDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCCC[C@@H]1C ZINC000339003577 250242745 /nfs/dbraw/zinc/24/27/45/250242745.db2.gz OCJKYRYAEGHHQS-WDEREUQCSA-N 1 1 321.381 1.764 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106397020 194206784 /nfs/dbraw/zinc/20/67/84/194206784.db2.gz KJHIBIGMPDLKGI-AWEZNQCLSA-N 1 1 307.350 1.124 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491564791 532973207 /nfs/dbraw/zinc/97/32/07/532973207.db2.gz ZAIKOVMKVHMVPY-VBROQKIQSA-N 1 1 319.361 1.445 20 5 DDBDMO O=C(C[N@@H+](CCO)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000352463863 285068278 /nfs/dbraw/zinc/06/82/78/285068278.db2.gz LJVIXXISHVUCFP-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO CCc1[nH+]ccn1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000158332644 197263177 /nfs/dbraw/zinc/26/31/77/197263177.db2.gz QGGYTNCSWAZJKH-UHFFFAOYSA-N 1 1 300.318 1.943 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCn2ccnc2)CC1 ZINC000298032251 285165669 /nfs/dbraw/zinc/16/56/69/285165669.db2.gz GDZGBUVJLAATNX-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO C[N@@H+]1CCCC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507878 781991993 /nfs/dbraw/zinc/99/19/93/781991993.db2.gz MCCBQCXNOWAOSR-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507878 781992000 /nfs/dbraw/zinc/99/20/00/781992000.db2.gz MCCBQCXNOWAOSR-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507880 781992238 /nfs/dbraw/zinc/99/22/38/781992238.db2.gz MCCBQCXNOWAOSR-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507880 781992246 /nfs/dbraw/zinc/99/22/46/781992246.db2.gz MCCBQCXNOWAOSR-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000073800330 406894700 /nfs/dbraw/zinc/89/47/00/406894700.db2.gz JKGWGUPBQATVPH-SECBINFHSA-N 1 1 321.333 1.992 20 5 DDBDMO C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089884016 407155600 /nfs/dbraw/zinc/15/56/00/407155600.db2.gz RAKZGKHVZUPYEC-UHFFFAOYSA-N 1 1 302.334 1.997 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000105610985 407354576 /nfs/dbraw/zinc/35/45/76/407354576.db2.gz PVDSNBURIPTXSW-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000124907404 407373175 /nfs/dbraw/zinc/37/31/75/407373175.db2.gz HMHLHDYZCGKSCZ-NSHDSACASA-N 1 1 322.365 1.690 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125399730 407387156 /nfs/dbraw/zinc/38/71/56/407387156.db2.gz DHDIXYGCFMVVKX-GHMZBOCLSA-N 1 1 307.354 1.027 20 5 DDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170731883 407486597 /nfs/dbraw/zinc/48/65/97/407486597.db2.gz YVHWIEILBYXRKX-ZDUSSCGKSA-N 1 1 321.377 1.951 20 5 DDBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541464 407551404 /nfs/dbraw/zinc/55/14/04/407551404.db2.gz QCHAPEJHYKOPMU-XJKSGUPXSA-N 1 1 318.377 1.888 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000114487435 407584855 /nfs/dbraw/zinc/58/48/55/407584855.db2.gz XZGHDKXLPARPNG-CYBMUJFWSA-N 1 1 312.366 1.427 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCO)CC1 ZINC000265919660 407510544 /nfs/dbraw/zinc/51/05/44/407510544.db2.gz ZSRXEEYVZVSICV-UHFFFAOYSA-N 1 1 307.350 1.125 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271439531 407685530 /nfs/dbraw/zinc/68/55/30/407685530.db2.gz TVFXGQSSCABBTO-NSHDSACASA-N 1 1 309.370 1.036 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)C1 ZINC000266944686 407686094 /nfs/dbraw/zinc/68/60/94/407686094.db2.gz SDJASJLSMKFQBQ-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO COc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000153134324 407759728 /nfs/dbraw/zinc/75/97/28/407759728.db2.gz ICIFIEAJOIQGEX-JSGCOSHPSA-N 1 1 311.313 1.262 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171803845 407770666 /nfs/dbraw/zinc/77/06/66/407770666.db2.gz PSTLOWSBRHJFBF-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000117340440 407830717 /nfs/dbraw/zinc/83/07/17/407830717.db2.gz UCNYGTYKZYFNSY-GFCCVEGCSA-N 1 1 321.333 1.614 20 5 DDBDMO CCNC(=O)C[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000133524846 407854980 /nfs/dbraw/zinc/85/49/80/407854980.db2.gz UXRJGTARUZJKRZ-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO COc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153544189 407847209 /nfs/dbraw/zinc/84/72/09/407847209.db2.gz MDZQOFIADZHDGR-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000154073321 407965875 /nfs/dbraw/zinc/96/58/75/407965875.db2.gz ZPEPUSSEUVKUTB-UMVBOHGHSA-N 1 1 324.377 1.752 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CO ZINC000118400813 407917902 /nfs/dbraw/zinc/91/79/02/407917902.db2.gz GNENHLPKUWEYGY-LBPRGKRZSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@@H](CO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272477259 407941498 /nfs/dbraw/zinc/94/14/98/407941498.db2.gz BJBUIBIZNLUJJS-RISCZKNCSA-N 1 1 304.350 1.636 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118751817 407941453 /nfs/dbraw/zinc/94/14/53/407941453.db2.gz FBKHIMUNNXASHQ-AWEZNQCLSA-N 1 1 322.365 1.515 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000268457407 408052012 /nfs/dbraw/zinc/05/20/12/408052012.db2.gz COVXKDMIHFKOPV-OAHLLOKOSA-N 1 1 302.334 1.383 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245852738 408080185 /nfs/dbraw/zinc/08/01/85/408080185.db2.gz DBZZVXKEZWXKQB-HIFRSBDPSA-N 1 1 310.350 1.181 20 5 DDBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273572938 408251645 /nfs/dbraw/zinc/25/16/45/408251645.db2.gz DMZVKHCBNHDWEH-OCCSQVGLSA-N 1 1 323.397 1.934 20 5 DDBDMO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822332 408256552 /nfs/dbraw/zinc/25/65/52/408256552.db2.gz PLXJOWNWGVAQCV-GHMZBOCLSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822332 408256555 /nfs/dbraw/zinc/25/65/55/408256555.db2.gz PLXJOWNWGVAQCV-GHMZBOCLSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822332 408256563 /nfs/dbraw/zinc/25/65/63/408256563.db2.gz PLXJOWNWGVAQCV-GHMZBOCLSA-N 1 1 321.381 1.701 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000131974459 162026923 /nfs/dbraw/zinc/02/69/23/162026923.db2.gz UTDVNQBNUFUOOJ-JTQLQIEISA-N 1 1 320.378 1.684 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000172832758 162307922 /nfs/dbraw/zinc/30/79/22/162307922.db2.gz QCHLORYYCVBTDK-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183594337 408450050 /nfs/dbraw/zinc/45/00/50/408450050.db2.gz SDPCLACHKJQGIO-NSHDSACASA-N 1 1 323.353 1.222 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274520376 408436535 /nfs/dbraw/zinc/43/65/35/408436535.db2.gz SCQLHVBATIRFHN-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429785 408486694 /nfs/dbraw/zinc/48/66/94/408486694.db2.gz ALKLVQKIRFZDKX-NSHDSACASA-N 1 1 307.354 1.327 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183648265 408463142 /nfs/dbraw/zinc/46/31/42/408463142.db2.gz JAVQGONZEAAQDX-SECBINFHSA-N 1 1 318.337 1.143 20 5 DDBDMO CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248462883 408573659 /nfs/dbraw/zinc/57/36/59/408573659.db2.gz QFWBTHHABKBDED-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248462883 408573667 /nfs/dbraw/zinc/57/36/67/408573667.db2.gz QFWBTHHABKBDED-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000192503129 408600158 /nfs/dbraw/zinc/60/01/58/408600158.db2.gz WTUUVWMPZKEZDY-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO Cc1nc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275662415 408636527 /nfs/dbraw/zinc/63/65/27/408636527.db2.gz YROLTXUWUKRUMK-LLVKDONJSA-N 1 1 308.382 1.580 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000248936517 408664114 /nfs/dbraw/zinc/66/41/14/408664114.db2.gz NHKDPQYNPIALBG-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000248936517 408664118 /nfs/dbraw/zinc/66/41/18/408664118.db2.gz NHKDPQYNPIALBG-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCn1cc[nH+]c1C ZINC000275765847 408671128 /nfs/dbraw/zinc/67/11/28/408671128.db2.gz PIAWYZWROXABLE-UHFFFAOYSA-N 1 1 319.321 1.930 20 5 DDBDMO CC[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796407 408715015 /nfs/dbraw/zinc/71/50/15/408715015.db2.gz QNEJPXFNMUPRQG-ZIAGYGMSSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796407 408715019 /nfs/dbraw/zinc/71/50/19/408715019.db2.gz QNEJPXFNMUPRQG-ZIAGYGMSSA-N 1 1 307.350 1.493 20 5 DDBDMO COC[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000252441771 408793466 /nfs/dbraw/zinc/79/34/66/408793466.db2.gz RXRDTFGXKQPDQQ-DZGCQCFKSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280795053 408835199 /nfs/dbraw/zinc/83/51/99/408835199.db2.gz RLWJNBRSEQYRJB-MEBBXXQBSA-N 1 1 320.349 1.119 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285704945 408847411 /nfs/dbraw/zinc/84/74/11/408847411.db2.gz IYVGSUYMFUFCBY-KGLIPLIRSA-N 1 1 305.334 1.140 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000280933401 408861018 /nfs/dbraw/zinc/86/10/18/408861018.db2.gz HQEHSUNWFSCAHT-NSHDSACASA-N 1 1 320.349 1.451 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000280933401 408861021 /nfs/dbraw/zinc/86/10/21/408861021.db2.gz HQEHSUNWFSCAHT-NSHDSACASA-N 1 1 320.349 1.451 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989450 409003046 /nfs/dbraw/zinc/00/30/46/409003046.db2.gz GXVHQJYVZHKGAX-WDEREUQCSA-N 1 1 307.354 1.325 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000277609203 408976085 /nfs/dbraw/zinc/97/60/85/408976085.db2.gz PNOPMVSYYFROCT-UONOGXRCSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293346390 409094413 /nfs/dbraw/zinc/09/44/13/409094413.db2.gz HLNZEXCDKNZFDQ-FRRDWIJNSA-N 1 1 320.393 1.946 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283648965 409190931 /nfs/dbraw/zinc/19/09/31/409190931.db2.gz CUROZUDNUWCDAA-SECBINFHSA-N 1 1 312.345 1.776 20 5 DDBDMO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293966124 409216421 /nfs/dbraw/zinc/21/64/21/409216421.db2.gz WNPMJJWKGMJBGV-VIFPVBQESA-N 1 1 305.338 1.399 20 5 DDBDMO NC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317043683 164025340 /nfs/dbraw/zinc/02/53/40/164025340.db2.gz VBVFLVVBINSNDH-NEPJUHHUSA-N 1 1 304.350 1.732 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354001344 409592131 /nfs/dbraw/zinc/59/21/31/409592131.db2.gz OAEONKCSVDAKMX-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349242778 409760289 /nfs/dbraw/zinc/76/02/89/409760289.db2.gz PBJQHWWUCIXUMH-MNOVXSKESA-N 1 1 307.306 1.673 20 5 DDBDMO C[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000332061812 409845437 /nfs/dbraw/zinc/84/54/37/409845437.db2.gz QVLVHKXDFAWQCW-NSHDSACASA-N 1 1 321.333 1.614 20 5 DDBDMO C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000332061812 409845443 /nfs/dbraw/zinc/84/54/43/409845443.db2.gz QVLVHKXDFAWQCW-NSHDSACASA-N 1 1 321.333 1.614 20 5 DDBDMO C[N@H+]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000297705573 409966767 /nfs/dbraw/zinc/96/67/67/409966767.db2.gz BAGYOPQGHGOTHU-UHFFFAOYSA-N 1 1 317.349 1.782 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000332234647 410001604 /nfs/dbraw/zinc/00/16/04/410001604.db2.gz RREYIMXJVPJNDS-LLVKDONJSA-N 1 1 314.345 1.919 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000332234647 410001612 /nfs/dbraw/zinc/00/16/12/410001612.db2.gz RREYIMXJVPJNDS-LLVKDONJSA-N 1 1 314.345 1.919 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000298517397 410270353 /nfs/dbraw/zinc/27/03/53/410270353.db2.gz LDOJPBINKHPESP-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357908910 410321982 /nfs/dbraw/zinc/32/19/82/410321982.db2.gz FMLOGRLGKUOUQM-GFCCVEGCSA-N 1 1 309.391 1.897 20 5 DDBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000339629579 410345515 /nfs/dbraw/zinc/34/55/15/410345515.db2.gz LWOBCUCYKHOXDK-NSHDSACASA-N 1 1 323.349 1.596 20 5 DDBDMO CCOc1ccc([C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251984 410421341 /nfs/dbraw/zinc/42/13/41/410421341.db2.gz NDFMMNRJFANMOT-WBMJQRKESA-N 1 1 323.393 1.711 20 5 DDBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251984 410421349 /nfs/dbraw/zinc/42/13/49/410421349.db2.gz NDFMMNRJFANMOT-WBMJQRKESA-N 1 1 323.393 1.711 20 5 DDBDMO CCOc1ccc([C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251983 410421418 /nfs/dbraw/zinc/42/14/18/410421418.db2.gz NDFMMNRJFANMOT-MLGOLLRUSA-N 1 1 323.393 1.711 20 5 DDBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251983 410421432 /nfs/dbraw/zinc/42/14/32/410421432.db2.gz NDFMMNRJFANMOT-MLGOLLRUSA-N 1 1 323.393 1.711 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339747521 410432129 /nfs/dbraw/zinc/43/21/29/410432129.db2.gz KQISYMVEZCRLMO-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000339747521 410432133 /nfs/dbraw/zinc/43/21/33/410432133.db2.gz KQISYMVEZCRLMO-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO CCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000299235468 410576214 /nfs/dbraw/zinc/57/62/14/410576214.db2.gz SCZIFDOWCJHJGV-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330436400 410690634 /nfs/dbraw/zinc/69/06/34/410690634.db2.gz MMIPFIFGOJRHSM-NSHDSACASA-N 1 1 309.370 1.127 20 5 DDBDMO Cc1nn(C)c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301301612 410696296 /nfs/dbraw/zinc/69/62/96/410696296.db2.gz VMOVOTXSQLLLGR-GFCCVEGCSA-N 1 1 311.386 1.405 20 5 DDBDMO Cc1ccc(NC[C@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301740609 410784480 /nfs/dbraw/zinc/78/44/80/410784480.db2.gz DPAQYPQHWKLSME-HNNXBMFYSA-N 1 1 309.366 1.398 20 5 DDBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330599613 410813811 /nfs/dbraw/zinc/81/38/11/410813811.db2.gz ULMZLCIZBONOSL-NEPJUHHUSA-N 1 1 307.350 1.525 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(O)CCC1 ZINC000353482458 411020013 /nfs/dbraw/zinc/02/00/13/411020013.db2.gz MIIRMHPENQHJGC-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(O)CCC1 ZINC000353482458 411020021 /nfs/dbraw/zinc/02/00/21/411020021.db2.gz MIIRMHPENQHJGC-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCOCC3)CC2)s1 ZINC000374491878 418534817 /nfs/dbraw/zinc/53/48/17/418534817.db2.gz INLJQNSAHKCBAB-UHFFFAOYSA-N 1 1 312.395 1.742 20 5 DDBDMO COc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000192904574 418527686 /nfs/dbraw/zinc/52/76/86/418527686.db2.gz UXWLTMPYJZRUNE-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360947545 418551776 /nfs/dbraw/zinc/55/17/76/418551776.db2.gz XMXCEBHQVHAFGA-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360947545 418551780 /nfs/dbraw/zinc/55/17/80/418551780.db2.gz XMXCEBHQVHAFGA-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049125 418555073 /nfs/dbraw/zinc/55/50/73/418555073.db2.gz CDRHCSVDMYKJBM-ZIAGYGMSSA-N 1 1 323.397 1.149 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290943003 222019204 /nfs/dbraw/zinc/01/92/04/222019204.db2.gz KYNUTDVYDJBLMH-UHFFFAOYSA-N 1 1 324.356 1.665 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190063980 222066344 /nfs/dbraw/zinc/06/63/44/222066344.db2.gz ZXASDKLSINTJPX-GWCFXTLKSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190063980 222066348 /nfs/dbraw/zinc/06/63/48/222066348.db2.gz ZXASDKLSINTJPX-GWCFXTLKSA-N 1 1 310.350 1.815 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375053029 418595894 /nfs/dbraw/zinc/59/58/94/418595894.db2.gz DWUBOMYXJFZFGQ-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375035556 418592118 /nfs/dbraw/zinc/59/21/18/418592118.db2.gz CTNFLEBQLKZOOS-IAQYHMDHSA-N 1 1 318.377 1.485 20 5 DDBDMO O=C1[C@@H]([N@@H+]2C[C@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316758 418628299 /nfs/dbraw/zinc/62/82/99/418628299.db2.gz ZHMWGBYYEFISPT-KBPBESRZSA-N 1 1 317.345 1.157 20 5 DDBDMO O=C1[C@@H]([N@H+]2C[C@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316758 418628300 /nfs/dbraw/zinc/62/83/00/418628300.db2.gz ZHMWGBYYEFISPT-KBPBESRZSA-N 1 1 317.345 1.157 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000368240620 418708535 /nfs/dbraw/zinc/70/85/35/418708535.db2.gz DHANKWIXMBMHNI-RWMBFGLXSA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000368240620 418708537 /nfs/dbraw/zinc/70/85/37/418708537.db2.gz DHANKWIXMBMHNI-RWMBFGLXSA-N 1 1 308.334 1.198 20 5 DDBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367995244 418671355 /nfs/dbraw/zinc/67/13/55/418671355.db2.gz YKCWIXJCELIHKB-MRVPVSSYSA-N 1 1 305.306 1.644 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420993408 419427130 /nfs/dbraw/zinc/42/71/30/419427130.db2.gz ATBYJVMNQOVPLL-WFASDCNBSA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411938081 419507478 /nfs/dbraw/zinc/50/74/78/419507478.db2.gz JOCWHSLPFUPVNQ-HUUCEWRRSA-N 1 1 302.334 1.599 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000421705312 419688538 /nfs/dbraw/zinc/68/85/38/419688538.db2.gz QZLAUXLJRUMRJM-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421832276 419747021 /nfs/dbraw/zinc/74/70/21/419747021.db2.gz FZODUOQJIRSASM-UHFFFAOYSA-N 1 1 316.361 1.980 20 5 DDBDMO COC(=O)[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413511380 419787528 /nfs/dbraw/zinc/78/75/28/419787528.db2.gz ZLKBUPZLGTZHHB-LBPRGKRZSA-N 1 1 322.365 1.148 20 5 DDBDMO COC(=O)[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413511380 419787534 /nfs/dbraw/zinc/78/75/34/419787534.db2.gz ZLKBUPZLGTZHHB-LBPRGKRZSA-N 1 1 322.365 1.148 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000299357632 229071014 /nfs/dbraw/zinc/07/10/14/229071014.db2.gz UDYQTKMKNATNJJ-GFCCVEGCSA-N 1 1 318.377 1.702 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434419296 229293658 /nfs/dbraw/zinc/29/36/58/229293658.db2.gz KIHBQOVTGCKKCK-LLVKDONJSA-N 1 1 319.365 1.319 20 5 DDBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)NC1CC1 ZINC000299662155 229312248 /nfs/dbraw/zinc/31/22/48/229312248.db2.gz WASPNMWQTHGWRQ-UHFFFAOYSA-N 1 1 315.276 1.564 20 5 DDBDMO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000429174195 419982038 /nfs/dbraw/zinc/98/20/38/419982038.db2.gz DMIKXPJIKLKECU-UHFFFAOYSA-N 1 1 311.338 1.180 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000430223277 420092856 /nfs/dbraw/zinc/09/28/56/420092856.db2.gz UTNXCKNUATZBHW-ZDUSSCGKSA-N 1 1 321.377 1.952 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289731 420308384 /nfs/dbraw/zinc/30/83/84/420308384.db2.gz FVYPLCBYYBZAGA-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289731 420308389 /nfs/dbraw/zinc/30/83/89/420308389.db2.gz FVYPLCBYYBZAGA-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416294348 420311699 /nfs/dbraw/zinc/31/16/99/420311699.db2.gz KVODYNCPAXUXRG-NEPJUHHUSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416294348 420311701 /nfs/dbraw/zinc/31/17/01/420311701.db2.gz KVODYNCPAXUXRG-NEPJUHHUSA-N 1 1 321.377 1.430 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000470182977 420931387 /nfs/dbraw/zinc/93/13/87/420931387.db2.gz LHFYVTZGTRSOBY-RCLYDWMDSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000470182977 420931390 /nfs/dbraw/zinc/93/13/90/420931390.db2.gz LHFYVTZGTRSOBY-RCLYDWMDSA-N 1 1 319.361 1.573 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](CO)(COC)C1 ZINC000449699581 421062460 /nfs/dbraw/zinc/06/24/60/421062460.db2.gz QJMYPRMEUDLMQI-INIZCTEOSA-N 1 1 324.377 1.824 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000449699581 421062458 /nfs/dbraw/zinc/06/24/58/421062458.db2.gz QJMYPRMEUDLMQI-INIZCTEOSA-N 1 1 324.377 1.824 20 5 DDBDMO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449716772 421067898 /nfs/dbraw/zinc/06/78/98/421067898.db2.gz LYOUCWUVHBVEAY-RKDXNWHRSA-N 1 1 303.322 1.328 20 5 DDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000456540320 421180329 /nfs/dbraw/zinc/18/03/29/421180329.db2.gz ZGKFTCPPVFKFMS-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000522811423 421226256 /nfs/dbraw/zinc/22/62/56/421226256.db2.gz PSESOKQFMBMGOS-ZDUSSCGKSA-N 1 1 323.397 1.336 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000561527859 421328761 /nfs/dbraw/zinc/32/87/61/421328761.db2.gz WEOSVLOZWMELPQ-GFCCVEGCSA-N 1 1 318.377 1.936 20 5 DDBDMO COc1c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000527248556 421370932 /nfs/dbraw/zinc/37/09/32/421370932.db2.gz GPNDXDPCZCXVDW-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO COc1ccc(CSCc2nc(C[NH3+])no2)cc1[N+](=O)[O-] ZINC000517935421 421633230 /nfs/dbraw/zinc/63/32/30/421633230.db2.gz VSMWKKBCHJPCLK-UHFFFAOYSA-N 1 1 310.335 1.879 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321742 421709012 /nfs/dbraw/zinc/70/90/12/421709012.db2.gz HARCNJZARQDTRO-HOSYDEDBSA-N 1 1 307.354 1.120 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000535755562 421709916 /nfs/dbraw/zinc/70/99/16/421709916.db2.gz SQDPVTSKRMRKCE-UHFFFAOYSA-N 1 1 321.377 1.699 20 5 DDBDMO CN(C)C(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000574627810 422144067 /nfs/dbraw/zinc/14/40/67/422144067.db2.gz AWAUWAKPNDIPSF-GFCCVEGCSA-N 1 1 321.381 1.344 20 5 DDBDMO Cc1[nH+]ccn1CCCn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000576040375 422363259 /nfs/dbraw/zinc/36/32/59/422363259.db2.gz CLSNLIXQKNARDE-UHFFFAOYSA-N 1 1 319.346 1.961 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332253292 271033421 /nfs/dbraw/zinc/03/34/21/271033421.db2.gz MJJUUVWLZXSUKG-KGLIPLIRSA-N 1 1 319.361 1.960 20 5 DDBDMO COc1cc(C[NH2+][C@@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])cc1F ZINC000297609253 277819453 /nfs/dbraw/zinc/81/94/53/277819453.db2.gz KNDGFQMZPLQKGM-CQSZACIVSA-N 1 1 313.329 1.732 20 5 DDBDMO CCN(CCC[NH+]1CCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000276500849 279181844 /nfs/dbraw/zinc/18/18/44/279181844.db2.gz UUIVXMVIASXYCO-UHFFFAOYSA-N 1 1 309.370 1.574 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358059669 299060408 /nfs/dbraw/zinc/06/04/08/299060408.db2.gz SEDRCFHVRMCBAM-INIZCTEOSA-N 1 1 321.377 1.055 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[C@H](C)C1 ZINC000362153847 300017806 /nfs/dbraw/zinc/01/78/06/300017806.db2.gz GIWMKFKJKPWSKO-UONOGXRCSA-N 1 1 323.393 1.894 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362454461 300067692 /nfs/dbraw/zinc/06/76/92/300067692.db2.gz QNQJGKAMIONJMU-KGLIPLIRSA-N 1 1 319.361 1.695 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362579773 300101080 /nfs/dbraw/zinc/10/10/80/300101080.db2.gz XRVFWAOSSOQKTB-GOEBONIOSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362579773 300101082 /nfs/dbraw/zinc/10/10/82/300101082.db2.gz XRVFWAOSSOQKTB-GOEBONIOSA-N 1 1 322.361 1.445 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000362804440 300145059 /nfs/dbraw/zinc/14/50/59/300145059.db2.gz FLZNSQKZLGNWCZ-RNCFNFMXSA-N 1 1 321.333 1.518 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000362804439 300145304 /nfs/dbraw/zinc/14/53/04/300145304.db2.gz FLZNSQKZLGNWCZ-NOZJJQNGSA-N 1 1 321.333 1.518 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363439881 300267887 /nfs/dbraw/zinc/26/78/87/300267887.db2.gz OQXXLTKQQNAXAS-JTQLQIEISA-N 1 1 306.322 1.006 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363877254 300320151 /nfs/dbraw/zinc/32/01/51/300320151.db2.gz UGILMMBVZONAEV-LNSITVRQSA-N 1 1 316.361 1.546 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368351026 301008794 /nfs/dbraw/zinc/00/87/94/301008794.db2.gz ADTGRRZVQIYQJF-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369868898 301231945 /nfs/dbraw/zinc/23/19/45/301231945.db2.gz VTDUJVHWLSUALY-CQSZACIVSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000370002080 301256147 /nfs/dbraw/zinc/25/61/47/301256147.db2.gz MNOPGTLXBIGEPM-LBPRGKRZSA-N 1 1 302.338 1.461 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000370285626 301309343 /nfs/dbraw/zinc/30/93/43/301309343.db2.gz ONIMVCQAXAVSMO-QWHCGFSZSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000370285626 301309345 /nfs/dbraw/zinc/30/93/45/301309345.db2.gz ONIMVCQAXAVSMO-QWHCGFSZSA-N 1 1 306.366 1.842 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000538714004 303390230 /nfs/dbraw/zinc/39/02/30/303390230.db2.gz GFVUDZNREXXXAJ-XHDPSFHLSA-N 1 1 318.377 1.803 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367377994 307092445 /nfs/dbraw/zinc/09/24/45/307092445.db2.gz NVERFTSOIPHBAB-MNOVXSKESA-N 1 1 320.349 1.119 20 5 DDBDMO Cc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000369045422 307114794 /nfs/dbraw/zinc/11/47/94/307114794.db2.gz ICXCPPMYJKXXPI-UHFFFAOYSA-N 1 1 313.379 1.156 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371109642 307142529 /nfs/dbraw/zinc/14/25/29/307142529.db2.gz WPNYXUAEQMYION-HNNXBMFYSA-N 1 1 321.377 1.652 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000372358651 307168535 /nfs/dbraw/zinc/16/85/35/307168535.db2.gz NUEHCSSKQJCHBP-AWEZNQCLSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373798623 307195503 /nfs/dbraw/zinc/19/55/03/307195503.db2.gz SNAQHXUZKQFKST-RRCSTGOVSA-N 1 1 315.373 1.795 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376875150 307257521 /nfs/dbraw/zinc/25/75/21/307257521.db2.gz ILLOSPNNURBPIE-MNOVXSKESA-N 1 1 305.338 1.160 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000576253291 308301159 /nfs/dbraw/zinc/30/11/59/308301159.db2.gz KLTLSBLXMGDHNG-LBPRGKRZSA-N 1 1 322.365 1.642 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]1(C)CO ZINC000595874489 490372210 /nfs/dbraw/zinc/37/22/10/490372210.db2.gz PCNNODFNRQTKFK-BDJLRTHQSA-N 1 1 322.361 1.912 20 5 DDBDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)ccc1[N+](=O)[O-] ZINC000451871408 533831018 /nfs/dbraw/zinc/83/10/18/533831018.db2.gz RJTGLJQXLYCUSO-OLZOCXBDSA-N 1 1 319.361 1.799 20 5 DDBDMO C[C@H]1COCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928304 534022400 /nfs/dbraw/zinc/02/24/00/534022400.db2.gz DCCVQIMWZFLELA-OLZOCXBDSA-N 1 1 310.350 1.303 20 5 DDBDMO COC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000414163800 534279999 /nfs/dbraw/zinc/27/99/99/534279999.db2.gz GOUIPMMWBHIYEH-LLVKDONJSA-N 1 1 324.333 1.215 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000158413465 523707358 /nfs/dbraw/zinc/70/73/58/523707358.db2.gz RPYCQNDTIORNGG-UPJWGTAASA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000158413465 523707368 /nfs/dbraw/zinc/70/73/68/523707368.db2.gz RPYCQNDTIORNGG-UPJWGTAASA-N 1 1 310.354 1.060 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330990984 529064077 /nfs/dbraw/zinc/06/40/77/529064077.db2.gz AUQMGFJLBIYUPT-GFCCVEGCSA-N 1 1 323.397 1.469 20 5 DDBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820665054 599589763 /nfs/dbraw/zinc/58/97/63/599589763.db2.gz DLEOMGJHWNNZIY-DTWKUNHWSA-N 1 1 318.341 1.065 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000747218015 700060441 /nfs/dbraw/zinc/06/04/41/700060441.db2.gz OPLASIBCCBYSDK-JTQLQIEISA-N 1 1 312.345 1.400 20 5 DDBDMO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000983650537 697286401 /nfs/dbraw/zinc/28/64/01/697286401.db2.gz VUFOCNPWKQGYLV-FPQZTECRSA-N 1 1 324.406 1.101 20 5 DDBDMO C[NH+](C)C1CC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000773486917 697767361 /nfs/dbraw/zinc/76/73/61/697767361.db2.gz LEZBRODSKAPUGS-UHFFFAOYSA-N 1 1 303.322 1.294 20 5 DDBDMO CCOCC[N@@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952107 700194016 /nfs/dbraw/zinc/19/40/16/700194016.db2.gz SYVGGTKMJUFXFA-UHFFFAOYSA-N 1 1 307.354 1.964 20 5 DDBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000778202615 698249262 /nfs/dbraw/zinc/24/92/62/698249262.db2.gz CZSPPAGYJMYGSF-RYUDHWBXSA-N 1 1 322.283 1.873 20 5 DDBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000778202615 698249265 /nfs/dbraw/zinc/24/92/65/698249265.db2.gz CZSPPAGYJMYGSF-RYUDHWBXSA-N 1 1 322.283 1.873 20 5 DDBDMO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764752 698558368 /nfs/dbraw/zinc/55/83/68/698558368.db2.gz PVXHBMAJFBIZAR-ZFWWWQNUSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765199 698558551 /nfs/dbraw/zinc/55/85/51/698558551.db2.gz WYDDVCKNDXLRGL-DZGCQCFKSA-N 1 1 315.377 1.711 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782603119 698747814 /nfs/dbraw/zinc/74/78/14/698747814.db2.gz GBONWZYDSFKGSG-BLLLJJGKSA-N 1 1 319.361 1.546 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(N2CCN(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000787886565 699251188 /nfs/dbraw/zinc/25/11/88/699251188.db2.gz ORXFFNMQSLFOHL-UHFFFAOYSA-N 1 1 309.276 1.923 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCOCC1 ZINC000735894067 699708923 /nfs/dbraw/zinc/70/89/23/699708923.db2.gz MNRWJWKNQPWVBU-UHFFFAOYSA-N 1 1 324.333 1.239 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000736219980 699720771 /nfs/dbraw/zinc/72/07/71/699720771.db2.gz GSWFLYURUOLMKN-HNNXBMFYSA-N 1 1 319.361 1.124 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3OC)C[C@@H]21 ZINC000794970432 699838798 /nfs/dbraw/zinc/83/87/98/699838798.db2.gz FICNOFAMCLIJPB-IMRBUKKESA-N 1 1 306.318 1.454 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3OC)C[C@@H]21 ZINC000794970432 699838800 /nfs/dbraw/zinc/83/88/00/699838800.db2.gz FICNOFAMCLIJPB-IMRBUKKESA-N 1 1 306.318 1.454 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000801840422 700344733 /nfs/dbraw/zinc/34/47/33/700344733.db2.gz MSQAANSBTJCDLO-QMMMGPOBSA-N 1 1 308.313 1.283 20 5 DDBDMO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839526348 701725138 /nfs/dbraw/zinc/72/51/38/701725138.db2.gz DYODSCVJVDHVKK-JHJVBQTASA-N 1 1 311.407 1.912 20 5 DDBDMO C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839693544 701786699 /nfs/dbraw/zinc/78/66/99/701786699.db2.gz DHMOEQNNMWIJQT-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839693544 701786704 /nfs/dbraw/zinc/78/67/04/701786704.db2.gz DHMOEQNNMWIJQT-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839693544 701786709 /nfs/dbraw/zinc/78/67/09/701786709.db2.gz DHMOEQNNMWIJQT-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1cccc([N+](=O)[O-])c1 ZINC000867948774 701848084 /nfs/dbraw/zinc/84/80/84/701848084.db2.gz DVGHJGMSHUOERJ-DVOMOZLQSA-N 1 1 303.362 1.883 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810839420 701859781 /nfs/dbraw/zinc/85/97/81/701859781.db2.gz AYZLUZILNCPNHH-OLZOCXBDSA-N 1 1 322.365 1.660 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840092512 701965385 /nfs/dbraw/zinc/96/53/85/701965385.db2.gz WJGLVTXYVGKGIB-GFCCVEGCSA-N 1 1 318.381 1.631 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000811466790 701991525 /nfs/dbraw/zinc/99/15/25/701991525.db2.gz YNQRALJQBYYGBS-LLVKDONJSA-N 1 1 308.334 1.850 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC000811466790 701991533 /nfs/dbraw/zinc/99/15/33/701991533.db2.gz YNQRALJQBYYGBS-LLVKDONJSA-N 1 1 308.334 1.850 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866204653 706648083 /nfs/dbraw/zinc/64/80/83/706648083.db2.gz FMUURESLXBONGC-SMDDNHRTSA-N 1 1 318.377 1.485 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206647 706648590 /nfs/dbraw/zinc/64/85/90/706648590.db2.gz FDJOIRCKPAVCPR-JQWIXIFHSA-N 1 1 320.349 1.307 20 5 DDBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CN)C1CC1 ZINC000843386342 702871126 /nfs/dbraw/zinc/87/11/26/702871126.db2.gz HFKYPGYFSSCQDQ-CQSZACIVSA-N 1 1 324.356 1.732 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](CN)C1CC1 ZINC000843386342 702871127 /nfs/dbraw/zinc/87/11/27/702871127.db2.gz HFKYPGYFSSCQDQ-CQSZACIVSA-N 1 1 324.356 1.732 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000869779994 703850287 /nfs/dbraw/zinc/85/02/87/703850287.db2.gz BBOQSRCJMJPNNP-LBPRGKRZSA-N 1 1 321.377 1.478 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000819338133 704110227 /nfs/dbraw/zinc/11/02/27/704110227.db2.gz WZPIWZSLBTVAJT-GXTWGEPZSA-N 1 1 318.333 1.266 20 5 DDBDMO CCO[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870873420 704152882 /nfs/dbraw/zinc/15/28/82/704152882.db2.gz CUDKDDWXHPKDOJ-GDBMZVCRSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836667 705193597 /nfs/dbraw/zinc/19/35/97/705193597.db2.gz GJWXXFVAYULFIT-LSDHHAIUSA-N 1 1 303.362 1.832 20 5 DDBDMO CN1C(=O)NCC12CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000823656193 705288788 /nfs/dbraw/zinc/28/87/88/705288788.db2.gz YKQBJBTWHGTKGB-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823987721 705349972 /nfs/dbraw/zinc/34/99/72/705349972.db2.gz QREMFNOKEWKNCH-KOLCDFICSA-N 1 1 307.354 1.781 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526995 705687970 /nfs/dbraw/zinc/68/79/70/705687970.db2.gz KVCMCOYSMUXBHL-HUUCEWRRSA-N 1 1 321.377 1.081 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000826995123 705908535 /nfs/dbraw/zinc/90/85/35/705908535.db2.gz QTXSUZQIPPIELQ-ZDUSSCGKSA-N 1 1 305.334 1.930 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000826995123 705908538 /nfs/dbraw/zinc/90/85/38/705908538.db2.gz QTXSUZQIPPIELQ-ZDUSSCGKSA-N 1 1 305.334 1.930 20 5 DDBDMO COCCN(C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876928407 705927937 /nfs/dbraw/zinc/92/79/37/705927937.db2.gz CHLUUNPABAMNSB-UHFFFAOYSA-N 1 1 311.386 1.053 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827231537 705956424 /nfs/dbraw/zinc/95/64/24/705956424.db2.gz HIHXYACCLVHVAP-TZMCWYRMSA-N 1 1 321.352 1.829 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328918 705976389 /nfs/dbraw/zinc/97/63/89/705976389.db2.gz FTMIGKANZPNMFK-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328918 705976390 /nfs/dbraw/zinc/97/63/90/705976390.db2.gz FTMIGKANZPNMFK-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328918 705976391 /nfs/dbraw/zinc/97/63/91/705976391.db2.gz FTMIGKANZPNMFK-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000865456205 706436119 /nfs/dbraw/zinc/43/61/19/706436119.db2.gz SOERWHUHAQSAAI-UHFFFAOYSA-N 1 1 305.338 1.765 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882042487 707476797 /nfs/dbraw/zinc/47/67/97/707476797.db2.gz ONYUEKRGEMBKGR-UHFFFAOYSA-N 1 1 312.345 1.676 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CCCO1 ZINC000830486482 706524712 /nfs/dbraw/zinc/52/47/12/706524712.db2.gz FNXDMEJCIZZFNN-ZDUSSCGKSA-N 1 1 315.414 1.439 20 5 DDBDMO C[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001596 706850230 /nfs/dbraw/zinc/85/02/30/706850230.db2.gz RCJQICRFJDBYKI-MNOVXSKESA-N 1 1 322.287 1.427 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047169 706862994 /nfs/dbraw/zinc/86/29/94/706862994.db2.gz IZXYLPDYXRTKKL-SNVBAGLBSA-N 1 1 308.260 1.445 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047169 706862997 /nfs/dbraw/zinc/86/29/97/706862997.db2.gz IZXYLPDYXRTKKL-SNVBAGLBSA-N 1 1 308.260 1.445 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880144505 706891259 /nfs/dbraw/zinc/89/12/59/706891259.db2.gz GLKQVKCTLZBGTF-LBPRGKRZSA-N 1 1 321.377 1.650 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880528625 707005162 /nfs/dbraw/zinc/00/51/62/707005162.db2.gz FJCYPLQFDLTCTP-CQDKDKBSSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880528625 707005164 /nfs/dbraw/zinc/00/51/64/707005164.db2.gz FJCYPLQFDLTCTP-CQDKDKBSSA-N 1 1 319.361 1.229 20 5 DDBDMO O=c1c(F)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)F ZINC000871674596 707164644 /nfs/dbraw/zinc/16/46/44/707164644.db2.gz DKGNPRQDSJQAIJ-UHFFFAOYSA-N 1 1 302.212 1.406 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000882269900 707565315 /nfs/dbraw/zinc/56/53/15/707565315.db2.gz WNGZVEGWSPAKIL-UHFFFAOYSA-N 1 1 315.333 1.847 20 5 DDBDMO Cc1c(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000873145814 707748126 /nfs/dbraw/zinc/74/81/26/707748126.db2.gz GQEYBIPWAZVBJM-AWEZNQCLSA-N 1 1 307.394 1.838 20 5 DDBDMO Cc1c(CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000873145814 707748128 /nfs/dbraw/zinc/74/81/28/707748128.db2.gz GQEYBIPWAZVBJM-AWEZNQCLSA-N 1 1 307.394 1.838 20 5 DDBDMO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222103 708259295 /nfs/dbraw/zinc/25/92/95/708259295.db2.gz RPKBHMHOVNLVHC-HOTGVXAUSA-N 1 1 305.378 1.939 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578125 708780371 /nfs/dbraw/zinc/78/03/71/708780371.db2.gz KUSVPNXLTQARLO-AZHAFVHUSA-N 1 1 319.361 1.625 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000910285951 709866599 /nfs/dbraw/zinc/86/65/99/709866599.db2.gz DKELSMJLLSQJRV-LBPRGKRZSA-N 1 1 323.397 1.433 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000890883804 710020830 /nfs/dbraw/zinc/02/08/30/710020830.db2.gz OPGCVOSBXVXRQG-UHFFFAOYSA-N 1 1 311.386 1.540 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000928447864 713201133 /nfs/dbraw/zinc/20/11/33/713201133.db2.gz AHXPGXYLZZGPRL-ZANVPECISA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000928453740 713204095 /nfs/dbraw/zinc/20/40/95/713204095.db2.gz PVXJLFAKZKTQIB-ONGXEEELSA-N 1 1 321.333 1.188 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000894878159 711305412 /nfs/dbraw/zinc/30/54/12/711305412.db2.gz FRQHMAZEKJTKHM-TXEJJXNPSA-N 1 1 316.361 1.762 20 5 DDBDMO CC[C@H](C[NH+]1CCOCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000895801535 711609549 /nfs/dbraw/zinc/60/95/49/711609549.db2.gz KFKOKOHMORZJHN-LLVKDONJSA-N 1 1 319.365 1.994 20 5 DDBDMO C[C@@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807204 713303478 /nfs/dbraw/zinc/30/34/78/713303478.db2.gz XTCOLYBPDLLWJQ-ZETOZRRWSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807204 713303480 /nfs/dbraw/zinc/30/34/80/713303480.db2.gz XTCOLYBPDLLWJQ-ZETOZRRWSA-N 1 1 307.350 1.227 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908572960 712810796 /nfs/dbraw/zinc/81/07/96/712810796.db2.gz JISCHBWJQOURHU-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000917480110 713499535 /nfs/dbraw/zinc/49/95/35/713499535.db2.gz JFACCYBGUCYSHZ-NSHDSACASA-N 1 1 304.306 1.397 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000917480110 713499538 /nfs/dbraw/zinc/49/95/38/713499538.db2.gz JFACCYBGUCYSHZ-NSHDSACASA-N 1 1 304.306 1.397 20 5 DDBDMO CC[NH+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929112884 713548897 /nfs/dbraw/zinc/54/88/97/713548897.db2.gz PYQMNCSHQVIMGD-UHFFFAOYSA-N 1 1 309.341 1.831 20 5 DDBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930032436 713739915 /nfs/dbraw/zinc/73/99/15/713739915.db2.gz QMTPTTGFHXABAF-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000921681048 713841288 /nfs/dbraw/zinc/84/12/88/713841288.db2.gz PPKIZLWIFJQNTH-FZMZJTMJSA-N 1 1 306.366 1.529 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915427 713957747 /nfs/dbraw/zinc/95/77/47/713957747.db2.gz KWSXGMHCKRNEFO-TYNCELHUSA-N 1 1 321.377 1.948 20 5 DDBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000922167841 713980754 /nfs/dbraw/zinc/98/07/54/713980754.db2.gz GYRKRBHXFFHQOL-WCQYABFASA-N 1 1 306.366 1.795 20 5 DDBDMO COc1cc(C[NH2+][C@@H](C)C(OC)OC)c([N+](=O)[O-])cc1OC ZINC000922311599 714017720 /nfs/dbraw/zinc/01/77/20/714017720.db2.gz INTJEINOHWPCIN-VIFPVBQESA-N 1 1 314.338 1.709 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[N@H+](CC[N+](=O)[O-])C(C)(C)CC1 ZINC000931532264 714121744 /nfs/dbraw/zinc/12/17/44/714121744.db2.gz DDZBLCBIFNUGDD-UHFFFAOYSA-N 1 1 301.387 1.985 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[N@@H+](CC[N+](=O)[O-])C(C)(C)CC1 ZINC000931532264 714121745 /nfs/dbraw/zinc/12/17/45/714121745.db2.gz DDZBLCBIFNUGDD-UHFFFAOYSA-N 1 1 301.387 1.985 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120450 714747200 /nfs/dbraw/zinc/74/72/00/714747200.db2.gz HFAHTNJCMULCOG-YPMHNXCESA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120450 714747203 /nfs/dbraw/zinc/74/72/03/714747203.db2.gz HFAHTNJCMULCOG-YPMHNXCESA-N 1 1 307.350 1.951 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000925383086 714836927 /nfs/dbraw/zinc/83/69/27/714836927.db2.gz QRJUMAXHKRFFHI-ZWNOBZJWSA-N 1 1 303.322 1.861 20 5 DDBDMO Cc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164966232 722067369 /nfs/dbraw/zinc/06/73/69/722067369.db2.gz ZRVKGYWBPFMPBE-OKILXGFUSA-N 1 1 318.377 1.598 20 5 DDBDMO O=C(NCC[NH2+]Cc1cc(Cl)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126932455 742779763 /nfs/dbraw/zinc/77/97/63/742779763.db2.gz YSZIAGLBXNUHFH-ZYHUDNBSSA-N 1 1 315.732 1.350 20 5 DDBDMO C[NH+]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001184579995 744064788 /nfs/dbraw/zinc/06/47/88/744064788.db2.gz IZXSPNTUCCLSAY-UHFFFAOYSA-N 1 1 317.305 1.803 20 5 DDBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C2 ZINC001186895566 744462130 /nfs/dbraw/zinc/46/21/30/744462130.db2.gz HQNFTUZJJCUTQM-LLVKDONJSA-N 1 1 317.349 1.456 20 5 DDBDMO O=C(NCC1C[NH+](CC2CCC3(CC3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663067 747338364 /nfs/dbraw/zinc/33/83/64/747338364.db2.gz QXZGAVRXZQZCJO-HUUCEWRRSA-N 1 1 321.421 1.670 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001200470899 748264720 /nfs/dbraw/zinc/26/47/20/748264720.db2.gz AFTIQLZYHFMROL-JRJMJSEMSA-N 1 1 322.192 1.551 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643352 750625634 /nfs/dbraw/zinc/62/56/34/750625634.db2.gz MXVAHRBACSHRKU-QHSBEEBCSA-N 1 1 318.377 1.264 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C1 ZINC001169019738 762200008 /nfs/dbraw/zinc/20/00/08/762200008.db2.gz JEJZIQYLZAAPHA-IJEWVQPXSA-N 1 1 317.393 1.577 20 5 DDBDMO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020138896 760613031 /nfs/dbraw/zinc/61/30/31/760613031.db2.gz GVZGLOHUHLOBMP-KLHDSHLOSA-N 1 1 317.389 1.440 20 5 DDBDMO COc1cc(-n2[nH]c(=O)c(CC[NH3+])c2C)cc([N+](=O)[O-])c1C ZINC001170343343 766274997 /nfs/dbraw/zinc/27/49/97/766274997.db2.gz RFXACSULDHADAE-UHFFFAOYSA-N 1 1 306.322 1.613 20 5 DDBDMO O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001132686108 769092602 /nfs/dbraw/zinc/09/26/02/769092602.db2.gz AXSCIQZKDQCGNA-HNNXBMFYSA-N 1 1 315.333 1.439 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093770881 775067374 /nfs/dbraw/zinc/06/73/74/775067374.db2.gz MHXGGFNFRLUBNC-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO Cc1cc(N(C)CCNC(=O)C[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001100149724 775735678 /nfs/dbraw/zinc/73/56/78/775735678.db2.gz NERZPTIUSCQDRI-UHFFFAOYSA-N 1 1 323.397 1.191 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094517270 775973818 /nfs/dbraw/zinc/97/38/18/775973818.db2.gz IZXIBEKCZAFFHU-UHFFFAOYSA-N 1 1 309.370 1.250 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](CO)[C@H](O)C1)CC2 ZINC001172902311 776915826 /nfs/dbraw/zinc/91/58/26/776915826.db2.gz AKFINVJCANPYTF-ZMSDIMECSA-N 1 1 320.389 1.517 20 5 DDBDMO Cc1cc(N(C(N)=[NH2+])[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001173226490 777062398 /nfs/dbraw/zinc/06/23/98/777062398.db2.gz MCSLPNVPAGMQJR-JTQLQIEISA-N 1 1 302.338 1.957 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001173234406 777064914 /nfs/dbraw/zinc/06/49/14/777064914.db2.gz RCAZYNUBEFAXDT-SWLSCSKDSA-N 1 1 303.362 1.832 20 5 DDBDMO COCC(C)(C)C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267206437 837533143 /nfs/dbraw/zinc/53/31/43/837533143.db2.gz ALXJSHOTBXGWOM-UHFFFAOYSA-N 1 1 323.393 1.815 20 5 DDBDMO COCC(C)(C)C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267206437 837533147 /nfs/dbraw/zinc/53/31/47/837533147.db2.gz ALXJSHOTBXGWOM-UHFFFAOYSA-N 1 1 323.393 1.815 20 5 DDBDMO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001266267883 836012276 /nfs/dbraw/zinc/01/22/76/836012276.db2.gz RXTJJEKZSDQYDW-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO CC[C@@H]1[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021518 850518301 /nfs/dbraw/zinc/51/83/01/850518301.db2.gz LGKQCJPNRMFIDS-NYTXWWLZSA-N 1 1 309.410 1.955 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224776862 881529030 /nfs/dbraw/zinc/52/90/30/881529030.db2.gz GGONNRTXRQVWQA-ZDUSSCGKSA-N 1 1 310.350 1.711 20 5 DDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001157009827 863515992 /nfs/dbraw/zinc/51/59/92/863515992.db2.gz NFFOXEFPSPGNTR-SNVBAGLBSA-N 1 1 314.773 1.801 20 5 DDBDMO CSc1nc(Cl)nc(N2CC3(C2)C[NH+](C)C3)c1[N+](=O)[O-] ZINC001158866434 864947617 /nfs/dbraw/zinc/94/76/17/864947617.db2.gz PPEAKRFBWPDXIN-UHFFFAOYSA-N 1 1 315.786 1.512 20 5 DDBDMO COc1ccc(OCC[N@H+]2C3CCC2(CO)CC3)c([N+](=O)[O-])c1 ZINC001333761268 866990358 /nfs/dbraw/zinc/99/03/58/866990358.db2.gz YJJNIEIGVVOVKQ-UHFFFAOYSA-N 1 1 322.361 1.972 20 5 DDBDMO Cn1ccnc1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001161920922 867100774 /nfs/dbraw/zinc/10/07/74/867100774.db2.gz JMYAFRFCYUWARS-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO Cn1ccnc1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001161920922 867100779 /nfs/dbraw/zinc/10/07/79/867100779.db2.gz JMYAFRFCYUWARS-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCSCC1 ZINC001324321703 867203623 /nfs/dbraw/zinc/20/36/23/867203623.db2.gz BVRMPRAWCYOCFC-NSHDSACASA-N 1 1 321.402 1.874 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162338566 867469299 /nfs/dbraw/zinc/46/92/99/867469299.db2.gz BWBOMHLQUINSNY-CQSZACIVSA-N 1 1 308.338 1.673 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001335073543 868044639 /nfs/dbraw/zinc/04/46/39/868044639.db2.gz VTTKUPQLTKRTKK-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001322604111 868274874 /nfs/dbraw/zinc/27/48/74/868274874.db2.gz GEUJMBLSCBMHEW-UHFFFAOYSA-N 1 1 307.331 1.829 20 5 DDBDMO COc1ncnc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163361649 868395137 /nfs/dbraw/zinc/39/51/37/868395137.db2.gz JYHWABWIEFKTKG-MNOVXSKESA-N 1 1 309.370 1.924 20 5 DDBDMO NC(=O)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336722631 869108382 /nfs/dbraw/zinc/10/83/82/869108382.db2.gz LDSOAJAYSIVSNB-LSDHHAIUSA-N 1 1 315.329 1.444 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC001336743980 869120251 /nfs/dbraw/zinc/12/02/51/869120251.db2.gz CAQGNFOTLICCIS-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001166033410 869810895 /nfs/dbraw/zinc/81/08/95/869810895.db2.gz WDNZQPTWBOMMNQ-UHFFFAOYSA-N 1 1 323.328 1.763 20 5 DDBDMO C[C@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670216 870618923 /nfs/dbraw/zinc/61/89/23/870618923.db2.gz XTGJCMIDGUKNOV-VXGBXAGGSA-N 1 1 322.413 1.463 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC001305873764 871306516 /nfs/dbraw/zinc/30/65/16/871306516.db2.gz KQCIQNDXWBBDPU-WCQGTBRESA-N 1 1 304.350 1.247 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CS(N)(=O)=O ZINC001308118602 871472147 /nfs/dbraw/zinc/47/21/47/871472147.db2.gz JISLRBVALFVUSP-SCZZXKLOSA-N 1 1 319.408 1.013 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1CS(N)(=O)=O ZINC001308118602 871472163 /nfs/dbraw/zinc/47/21/63/871472163.db2.gz JISLRBVALFVUSP-SCZZXKLOSA-N 1 1 319.408 1.013 20 5 DDBDMO CC[N@H+](CCNC(=O)c1ccn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001317476153 871552643 /nfs/dbraw/zinc/55/26/43/871552643.db2.gz FODDXNKBTGDQFG-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001317476153 871552653 /nfs/dbraw/zinc/55/26/53/871552653.db2.gz FODDXNKBTGDQFG-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO Cc1nc(N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)ncc1[N+](=O)[O-] ZINC001353016538 877070824 /nfs/dbraw/zinc/07/08/24/877070824.db2.gz DQIMMBYPVMVPMI-QWHCGFSZSA-N 1 1 321.381 1.604 20 5 DDBDMO Cc1ccc(CNC(=O)[C@@H]2[NH2+]CCc3occc32)cc1[N+](=O)[O-] ZINC001354523373 878037542 /nfs/dbraw/zinc/03/75/42/878037542.db2.gz KIKQJTWIMPFLQF-OAHLLOKOSA-N 1 1 315.329 1.999 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001355171689 878452818 /nfs/dbraw/zinc/45/28/18/878452818.db2.gz PIISSVFQHQWITE-KGYLQXTDSA-N 1 1 319.361 1.673 20 5 DDBDMO COc1cc(COCC[N@@H+]2CC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC001223393839 880944651 /nfs/dbraw/zinc/94/46/51/880944651.db2.gz FQCSYSHIKQAMLA-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COC(=O)[C@@H](OC[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647077 881042913 /nfs/dbraw/zinc/04/29/13/881042913.db2.gz IXRPVYXXCFOALR-RISCZKNCSA-N 1 1 324.333 1.156 20 5 DDBDMO COC(=O)[C@@H](OC[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647077 881042932 /nfs/dbraw/zinc/04/29/32/881042932.db2.gz IXRPVYXXCFOALR-RISCZKNCSA-N 1 1 324.333 1.156 20 5 DDBDMO COC(=O)c1cccc(COC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223665124 881050742 /nfs/dbraw/zinc/05/07/42/881050742.db2.gz OBMRSTATKFEAGS-UHFFFAOYSA-N 1 1 308.334 1.991 20 5 DDBDMO O=c1[nH]cnc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228144389 883361807 /nfs/dbraw/zinc/36/18/07/883361807.db2.gz TVHKOZYBBPUDHK-LBPRGKRZSA-N 1 1 316.317 1.744 20 5 DDBDMO CC(C)C(=O)Nc1nc2nc[nH]c2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001230446753 884493671 /nfs/dbraw/zinc/49/36/71/884493671.db2.gz WFZDBACOGKHVGN-JTQLQIEISA-O 1 1 321.405 1.421 20 5 DDBDMO COCCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001231027272 885144821 /nfs/dbraw/zinc/14/48/21/885144821.db2.gz FSIIIDOHDRDRPN-UHFFFAOYSA-N 1 1 309.366 1.569 20 5 DDBDMO C[N@H+](CCCNC(=O)c1ccon1)Cc1csc([N+](=O)[O-])c1 ZINC001234513349 888040323 /nfs/dbraw/zinc/04/03/23/888040323.db2.gz XMDXTEDMXDRLGS-UHFFFAOYSA-N 1 1 324.362 1.896 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccon1)Cc1csc([N+](=O)[O-])c1 ZINC001234513349 888040339 /nfs/dbraw/zinc/04/03/39/888040339.db2.gz XMDXTEDMXDRLGS-UHFFFAOYSA-N 1 1 324.362 1.896 20 5 DDBDMO Cc1ncc(C[NH3+])c(=N)n1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538432 896494375 /nfs/dbraw/zinc/49/43/75/896494375.db2.gz UZFOZISRAKFCQK-SNVBAGLBSA-N 1 1 301.350 1.842 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001254553568 896498994 /nfs/dbraw/zinc/49/89/94/896498994.db2.gz XNNUYBXZUJOEPM-HIFRSBDPSA-N 1 1 305.378 1.542 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CCOCC1 ZINC001254550469 896499054 /nfs/dbraw/zinc/49/90/54/896499054.db2.gz KFZFICYQZZJJRT-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CCOCC1 ZINC001254550469 896499060 /nfs/dbraw/zinc/49/90/60/896499060.db2.gz KFZFICYQZZJJRT-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO O=C1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]2CCCN12 ZINC001254605302 896527965 /nfs/dbraw/zinc/52/79/65/896527965.db2.gz BDLKYZGGFSAPOD-CVEARBPZSA-N 1 1 315.373 1.759 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603450 896528657 /nfs/dbraw/zinc/52/86/57/896528657.db2.gz NGPTYYNHPHAOIR-GOEBONIOSA-N 1 1 317.345 1.636 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC001261648133 899681551 /nfs/dbraw/zinc/68/15/51/899681551.db2.gz TUPDZMXDQNFETK-NSHDSACASA-N 1 1 304.354 1.781 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC001263681117 900670089 /nfs/dbraw/zinc/67/00/89/900670089.db2.gz YNRUBEASLDWKOL-UHFFFAOYSA-N 1 1 322.409 1.797 20 5 DDBDMO Cc1oncc1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001266135746 903001502 /nfs/dbraw/zinc/00/15/02/903001502.db2.gz WCABPBARIMIDLI-ZIAGYGMSSA-N 1 1 322.365 1.119 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280815209 904079349 /nfs/dbraw/zinc/07/93/49/904079349.db2.gz XSODJBAXDOKNAL-HUUCEWRRSA-N 1 1 305.378 1.632 20 5 DDBDMO CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280815209 904079364 /nfs/dbraw/zinc/07/93/64/904079364.db2.gz XSODJBAXDOKNAL-HUUCEWRRSA-N 1 1 305.378 1.632 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280815209 904079378 /nfs/dbraw/zinc/07/93/78/904079378.db2.gz XSODJBAXDOKNAL-HUUCEWRRSA-N 1 1 305.378 1.632 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248453913 282084457 /nfs/dbraw/zinc/08/44/57/282084457.db2.gz KDVUQCYUCGMXRW-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248453913 282084462 /nfs/dbraw/zinc/08/44/62/282084462.db2.gz KDVUQCYUCGMXRW-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453619 214162993 /nfs/dbraw/zinc/16/29/93/214162993.db2.gz RDBVZNBEWGGPDU-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453619 214162995 /nfs/dbraw/zinc/16/29/95/214162995.db2.gz RDBVZNBEWGGPDU-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453619 214162997 /nfs/dbraw/zinc/16/29/97/214162997.db2.gz RDBVZNBEWGGPDU-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000278566930 214242054 /nfs/dbraw/zinc/24/20/54/214242054.db2.gz FXXLMNDPFYOIMT-CQSZACIVSA-N 1 1 304.350 1.780 20 5 DDBDMO CSC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249464846 282158140 /nfs/dbraw/zinc/15/81/40/282158140.db2.gz QANAIYGPYLXJFD-ZYHUDNBSSA-N 1 1 312.395 1.200 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249499773 282160976 /nfs/dbraw/zinc/16/09/76/282160976.db2.gz ICOIXYYZYNDWIM-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO COC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000451924896 231235676 /nfs/dbraw/zinc/23/56/76/231235676.db2.gz JWMZJKZIRNEXPK-OAHLLOKOSA-N 1 1 310.350 1.434 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000451924896 231235680 /nfs/dbraw/zinc/23/56/80/231235680.db2.gz JWMZJKZIRNEXPK-OAHLLOKOSA-N 1 1 310.350 1.434 20 5 DDBDMO COC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000451924895 231236063 /nfs/dbraw/zinc/23/60/63/231236063.db2.gz JWMZJKZIRNEXPK-HNNXBMFYSA-N 1 1 310.350 1.434 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000451924895 231236066 /nfs/dbraw/zinc/23/60/66/231236066.db2.gz JWMZJKZIRNEXPK-HNNXBMFYSA-N 1 1 310.350 1.434 20 5 DDBDMO CC[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000419227149 529473206 /nfs/dbraw/zinc/47/32/06/529473206.db2.gz SGRXIPNRNUGWDR-HNNXBMFYSA-N 1 1 321.377 1.778 20 5 DDBDMO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000090030072 185278870 /nfs/dbraw/zinc/27/88/70/185278870.db2.gz IQBWZERFEADYKL-LLVKDONJSA-N 1 1 311.725 1.485 20 5 DDBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614831826 362041823 /nfs/dbraw/zinc/04/18/23/362041823.db2.gz XRBGQNPKDWWYDA-UHFFFAOYSA-N 1 1 322.365 1.515 20 5 DDBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614831826 362041827 /nfs/dbraw/zinc/04/18/27/362041827.db2.gz XRBGQNPKDWWYDA-UHFFFAOYSA-N 1 1 322.365 1.515 20 5 DDBDMO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000299466355 529771426 /nfs/dbraw/zinc/77/14/26/529771426.db2.gz ZNZRBYVYGQAHHV-UHFFFAOYSA-N 1 1 323.353 1.552 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985272 529801289 /nfs/dbraw/zinc/80/12/89/529801289.db2.gz TZOSZQQBOBTPFZ-HZPDHXFCSA-N 1 1 305.378 1.628 20 5 DDBDMO CN1CC[C@@](O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985272 529801290 /nfs/dbraw/zinc/80/12/90/529801290.db2.gz TZOSZQQBOBTPFZ-HZPDHXFCSA-N 1 1 305.378 1.628 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000458184804 530060405 /nfs/dbraw/zinc/06/04/05/530060405.db2.gz JUXMVEIUOXWDHD-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000458164608 530060889 /nfs/dbraw/zinc/06/08/89/530060889.db2.gz KICUYGSPTVGQFZ-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181905817 186217296 /nfs/dbraw/zinc/21/72/96/186217296.db2.gz XUDAERMVVUVILN-XQQFMLRXSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181905817 186217297 /nfs/dbraw/zinc/21/72/97/186217297.db2.gz XUDAERMVVUVILN-XQQFMLRXSA-N 1 1 310.350 1.444 20 5 DDBDMO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000266853260 186360247 /nfs/dbraw/zinc/36/02/47/186360247.db2.gz SBILWHQGQBJKDM-ZDUSSCGKSA-N 1 1 308.382 1.845 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000172353685 198084873 /nfs/dbraw/zinc/08/48/73/198084873.db2.gz TWGPPSBOYWRQDZ-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000041886287 352317585 /nfs/dbraw/zinc/31/75/85/352317585.db2.gz YPAKYRCCMLCUDM-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000331774299 234107237 /nfs/dbraw/zinc/10/72/37/234107237.db2.gz KWJAWZSCYDCDRB-NWANDNLSSA-N 1 1 308.382 1.807 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047268312 352488759 /nfs/dbraw/zinc/48/87/59/352488759.db2.gz JNTCTNCQJGDGEI-CABCVRRESA-N 1 1 303.362 1.432 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000057703849 352824341 /nfs/dbraw/zinc/82/43/41/352824341.db2.gz XYJMGRRSNZLRFR-SNVBAGLBSA-N 1 1 323.397 1.397 20 5 DDBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+](C)C1CC1 ZINC000057703845 352825020 /nfs/dbraw/zinc/82/50/20/352825020.db2.gz IQSFINHIQPVDEM-SNVBAGLBSA-N 1 1 309.370 1.125 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000066126022 352979375 /nfs/dbraw/zinc/97/93/75/352979375.db2.gz XTUCIRDSTQOMJV-GFCCVEGCSA-N 1 1 309.366 1.820 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665146 353207907 /nfs/dbraw/zinc/20/79/07/353207907.db2.gz OLISUYIMNXPWKY-NSHDSACASA-N 1 1 319.365 1.097 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665146 353207910 /nfs/dbraw/zinc/20/79/10/353207910.db2.gz OLISUYIMNXPWKY-NSHDSACASA-N 1 1 319.365 1.097 20 5 DDBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174618415 198360649 /nfs/dbraw/zinc/36/06/49/198360649.db2.gz FXMPYNZSXRJGBW-OCCSQVGLSA-N 1 1 321.377 1.512 20 5 DDBDMO COC1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075745688 353379077 /nfs/dbraw/zinc/37/90/77/353379077.db2.gz ZJKLBYUIHKCOJJ-QRMWWUJWSA-N 1 1 312.370 1.042 20 5 DDBDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738157 198378591 /nfs/dbraw/zinc/37/85/91/198378591.db2.gz MHADJYQXKOJFQJ-AAEUAGOBSA-N 1 1 322.340 1.984 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000093345223 353898095 /nfs/dbraw/zinc/89/80/95/353898095.db2.gz UZTNZWOQJBBREC-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000093345223 353898098 /nfs/dbraw/zinc/89/80/98/353898098.db2.gz UZTNZWOQJBBREC-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO CNC(=O)c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000142891161 354146740 /nfs/dbraw/zinc/14/67/40/354146740.db2.gz NAKGMBWBSPQFIF-CYBMUJFWSA-N 1 1 318.377 1.629 20 5 DDBDMO CC1(C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000212577120 354310473 /nfs/dbraw/zinc/31/04/73/354310473.db2.gz QFSFANHFIOZTHU-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000305211098 354469268 /nfs/dbraw/zinc/46/92/68/354469268.db2.gz HALFEQVNWVPLRY-HNNXBMFYSA-N 1 1 321.377 1.935 20 5 DDBDMO CNc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000322940183 354540451 /nfs/dbraw/zinc/54/04/51/354540451.db2.gz QNJCFVBKDBTFBH-YHWZYXNKSA-N 1 1 318.377 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CO)CC2)c1 ZINC000589494082 354995849 /nfs/dbraw/zinc/99/58/49/354995849.db2.gz BHWJNRQNSAWJDB-UHFFFAOYSA-N 1 1 308.334 1.586 20 5 DDBDMO CC[N@H+]1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494569 354996283 /nfs/dbraw/zinc/99/62/83/354996283.db2.gz PNWGAXSQWDLJAW-UHFFFAOYSA-N 1 1 321.377 1.909 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590010373 355039258 /nfs/dbraw/zinc/03/92/58/355039258.db2.gz CIDCVFWUCWCRRI-SWLSCSKDSA-N 1 1 318.377 1.478 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010575 355040443 /nfs/dbraw/zinc/04/04/43/355040443.db2.gz PDPQJENEMDJWFL-SMDDNHRTSA-N 1 1 304.350 1.169 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](O)CC1)OCCO2 ZINC000590381867 355078769 /nfs/dbraw/zinc/07/87/69/355078769.db2.gz OSQVCEHSIGIYMR-LBPRGKRZSA-N 1 1 308.334 1.713 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](O)CC1)OCCO2 ZINC000590381867 355078774 /nfs/dbraw/zinc/07/87/74/355078774.db2.gz OSQVCEHSIGIYMR-LBPRGKRZSA-N 1 1 308.334 1.713 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590739243 355160124 /nfs/dbraw/zinc/16/01/24/355160124.db2.gz NGEIJMXXEURHLW-LLVKDONJSA-N 1 1 317.349 1.041 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590739245 355160185 /nfs/dbraw/zinc/16/01/85/355160185.db2.gz NGEIJMXXEURHLW-NSHDSACASA-N 1 1 317.349 1.041 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000590661478 355139844 /nfs/dbraw/zinc/13/98/44/355139844.db2.gz WCZUQEYVHYVJMH-ZWNOBZJWSA-N 1 1 324.333 1.102 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000592246392 355546720 /nfs/dbraw/zinc/54/67/20/355546720.db2.gz LUAXPXPLEUJQSC-CYBMUJFWSA-N 1 1 317.349 1.541 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000593036808 355776548 /nfs/dbraw/zinc/77/65/48/355776548.db2.gz UMKDYIOVSVHPBY-WCQYABFASA-N 1 1 322.361 1.974 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080717260 192185779 /nfs/dbraw/zinc/18/57/79/192185779.db2.gz BSTOFDPRBIRSTC-YHWZYXNKSA-N 1 1 321.381 1.231 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cs1 ZINC000594992129 356369397 /nfs/dbraw/zinc/36/93/97/356369397.db2.gz BEBDQUFPDIPWTD-CYBMUJFWSA-N 1 1 311.407 1.999 20 5 DDBDMO O=C(C[NH2+][C@H]1CCCn2nccc21)Nc1ccccc1[N+](=O)[O-] ZINC000595012793 356372012 /nfs/dbraw/zinc/37/20/12/356372012.db2.gz OIOYNHOAHSTGPW-NSHDSACASA-N 1 1 315.333 1.855 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000595011342 356372373 /nfs/dbraw/zinc/37/23/73/356372373.db2.gz HDPFPLKKBLKDMO-ZWNOBZJWSA-N 1 1 307.350 1.875 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000595017608 356372990 /nfs/dbraw/zinc/37/29/90/356372990.db2.gz KSTURMJKVCDXLH-TZMCWYRMSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000595017608 356372993 /nfs/dbraw/zinc/37/29/93/356372993.db2.gz KSTURMJKVCDXLH-TZMCWYRMSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000595374584 356470248 /nfs/dbraw/zinc/47/02/48/356470248.db2.gz HALOVOKNTAHWME-JTQLQIEISA-N 1 1 319.321 1.673 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000595374584 356470253 /nfs/dbraw/zinc/47/02/53/356470253.db2.gz HALOVOKNTAHWME-JTQLQIEISA-N 1 1 319.321 1.673 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469716 356504733 /nfs/dbraw/zinc/50/47/33/356504733.db2.gz XDIWDQYGQCGJJG-GFCCVEGCSA-N 1 1 311.357 1.886 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469716 356504735 /nfs/dbraw/zinc/50/47/35/356504735.db2.gz XDIWDQYGQCGJJG-GFCCVEGCSA-N 1 1 311.357 1.886 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595473747 356507899 /nfs/dbraw/zinc/50/78/99/356507899.db2.gz BKVZWSLTKUAJPK-LLVKDONJSA-N 1 1 310.354 1.772 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595473747 356507900 /nfs/dbraw/zinc/50/79/00/356507900.db2.gz BKVZWSLTKUAJPK-LLVKDONJSA-N 1 1 310.354 1.772 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000595860920 356680881 /nfs/dbraw/zinc/68/08/81/356680881.db2.gz NBEQAVFLSDIWMR-ZBEGNZNMSA-N 1 1 322.361 1.832 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccc(F)cc2F)n1 ZINC000595867778 356684661 /nfs/dbraw/zinc/68/46/61/356684661.db2.gz QLYIUWBZAXBLJN-GFCCVEGCSA-N 1 1 312.276 1.393 20 5 DDBDMO CC(C)[C@H]([NH3+])CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595945937 356717577 /nfs/dbraw/zinc/71/75/77/356717577.db2.gz AEPGQNGPVBIVKV-LLVKDONJSA-N 1 1 305.338 1.574 20 5 DDBDMO CN1CCC[N@@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596100900 356772116 /nfs/dbraw/zinc/77/21/16/356772116.db2.gz CXPGKAMHXRFVTO-UHFFFAOYSA-N 1 1 309.370 1.135 20 5 DDBDMO C[N@@H+]1CCCN(CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596100900 356772118 /nfs/dbraw/zinc/77/21/18/356772118.db2.gz CXPGKAMHXRFVTO-UHFFFAOYSA-N 1 1 309.370 1.135 20 5 DDBDMO C[N@H+]1CCCN(CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596100900 356772121 /nfs/dbraw/zinc/77/21/21/356772121.db2.gz CXPGKAMHXRFVTO-UHFFFAOYSA-N 1 1 309.370 1.135 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596512165 356901981 /nfs/dbraw/zinc/90/19/81/356901981.db2.gz REJUUSVUHZHKCG-ZDUSSCGKSA-N 1 1 314.345 1.927 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596512165 356901986 /nfs/dbraw/zinc/90/19/86/356901986.db2.gz REJUUSVUHZHKCG-ZDUSSCGKSA-N 1 1 314.345 1.927 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341379 357543837 /nfs/dbraw/zinc/54/38/37/357543837.db2.gz ADCAFGLKQWERSU-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO CC[N@@H+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000598605330 357650374 /nfs/dbraw/zinc/65/03/74/357650374.db2.gz AZYWEIQJZGTFTA-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CC[N@H+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000598605330 357650377 /nfs/dbraw/zinc/65/03/77/357650377.db2.gz AZYWEIQJZGTFTA-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598652063 357671246 /nfs/dbraw/zinc/67/12/46/357671246.db2.gz WTISVTANRRKVJE-CHWSQXEVSA-N 1 1 321.377 1.874 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598559947 357631875 /nfs/dbraw/zinc/63/18/75/357631875.db2.gz JLXRHSBADRQABS-LBPRGKRZSA-N 1 1 306.366 1.775 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569234 357635164 /nfs/dbraw/zinc/63/51/64/357635164.db2.gz BZBAGIBJHCTSKN-SNVBAGLBSA-N 1 1 309.370 1.511 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599085291 357810444 /nfs/dbraw/zinc/81/04/44/357810444.db2.gz ORZYPVSBWGZMAV-WCQYABFASA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599085291 357810446 /nfs/dbraw/zinc/81/04/46/357810446.db2.gz ORZYPVSBWGZMAV-WCQYABFASA-N 1 1 309.366 1.321 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338573 199017838 /nfs/dbraw/zinc/01/78/38/199017838.db2.gz KGDKJGXCIKJHIH-RISCZKNCSA-N 1 1 315.333 1.493 20 5 DDBDMO C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338573 199017840 /nfs/dbraw/zinc/01/78/40/199017840.db2.gz KGDKJGXCIKJHIH-RISCZKNCSA-N 1 1 315.333 1.493 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338573 199017841 /nfs/dbraw/zinc/01/78/41/199017841.db2.gz KGDKJGXCIKJHIH-RISCZKNCSA-N 1 1 315.333 1.493 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000599623338 357996159 /nfs/dbraw/zinc/99/61/59/357996159.db2.gz LSWUCYYXOKRRJH-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@H]21 ZINC000599661225 358013698 /nfs/dbraw/zinc/01/36/98/358013698.db2.gz TVCUSCRLCKCBBO-YNEHKIRRSA-N 1 1 322.365 1.455 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599672403 358019139 /nfs/dbraw/zinc/01/91/39/358019139.db2.gz OMJZSXSHSIMEQG-XBXGTLAGSA-N 1 1 321.377 1.935 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302042545 283350098 /nfs/dbraw/zinc/35/00/98/283350098.db2.gz WXOOLKDFBFPMRG-LLVKDONJSA-N 1 1 324.406 1.575 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180531269 199172118 /nfs/dbraw/zinc/17/21/18/199172118.db2.gz WCYCXPHWKCXJRY-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180838236 199216114 /nfs/dbraw/zinc/21/61/14/199216114.db2.gz XRPMOQFJBMVXQJ-SECBINFHSA-N 1 1 307.306 1.005 20 5 DDBDMO CC(C)N1CC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000601116910 358409217 /nfs/dbraw/zinc/40/92/17/358409217.db2.gz RMRVVEDGQFUVLK-OAHLLOKOSA-N 1 1 314.345 1.986 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137118 358416972 /nfs/dbraw/zinc/41/69/72/358416972.db2.gz TVBJAUHYINMSQL-HTQZYQBOSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137118 358416975 /nfs/dbraw/zinc/41/69/75/358416975.db2.gz TVBJAUHYINMSQL-HTQZYQBOSA-N 1 1 321.303 1.876 20 5 DDBDMO C[S@](=O)C1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601160333 358427080 /nfs/dbraw/zinc/42/70/80/358427080.db2.gz UNWURSKBYYOARL-NRFANRHFSA-N 1 1 305.359 1.888 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602131711 358835433 /nfs/dbraw/zinc/83/54/33/358835433.db2.gz GMJOGJJBHNBYIF-NSHDSACASA-N 1 1 304.350 1.216 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602673577 359117887 /nfs/dbraw/zinc/11/78/87/359117887.db2.gz WAVQSHPJGFRCTJ-GWCFXTLKSA-N 1 1 302.334 1.872 20 5 DDBDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963213 200183884 /nfs/dbraw/zinc/18/38/84/200183884.db2.gz QOYFSAWGCNGBHS-WFASDCNBSA-N 1 1 309.366 1.239 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604278111 359732134 /nfs/dbraw/zinc/73/21/34/359732134.db2.gz GMAQTXWHNLCGPJ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604278111 359732142 /nfs/dbraw/zinc/73/21/42/359732142.db2.gz GMAQTXWHNLCGPJ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257579 360277313 /nfs/dbraw/zinc/27/73/13/360277313.db2.gz BRNUSBPNJJNBCF-CQSZACIVSA-N 1 1 320.393 1.997 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281201901 216150566 /nfs/dbraw/zinc/15/05/66/216150566.db2.gz CLXHUEQMRUVWRN-XBFCOCLRSA-N 1 1 321.333 1.059 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@H](CCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610213577 360391701 /nfs/dbraw/zinc/39/17/01/360391701.db2.gz GGNFBFJRQBXDTC-CYBMUJFWSA-N 1 1 321.377 1.652 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@H](CCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610213577 360391708 /nfs/dbraw/zinc/39/17/08/360391708.db2.gz GGNFBFJRQBXDTC-CYBMUJFWSA-N 1 1 321.377 1.652 20 5 DDBDMO CC[N@@H+](CCC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368178 360423091 /nfs/dbraw/zinc/42/30/91/360423091.db2.gz VKZXESYZRYGLJS-SNVBAGLBSA-N 1 1 310.276 1.427 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195856 360656257 /nfs/dbraw/zinc/65/62/57/360656257.db2.gz YXFPSHHEEFAWTN-SNVBAGLBSA-N 1 1 302.334 1.900 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088182 360620124 /nfs/dbraw/zinc/62/01/24/360620124.db2.gz IMOJDTHWIIACRG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088182 360620127 /nfs/dbraw/zinc/62/01/27/360620127.db2.gz IMOJDTHWIIACRG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000611348844 360703161 /nfs/dbraw/zinc/70/31/61/360703161.db2.gz MUAZPJOAMCYROS-AWEZNQCLSA-N 1 1 321.377 1.510 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000292525942 223126710 /nfs/dbraw/zinc/12/67/10/223126710.db2.gz WRBVLUCAWPJOLQ-HZMBPMFUSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000292525942 223126712 /nfs/dbraw/zinc/12/67/12/223126712.db2.gz WRBVLUCAWPJOLQ-HZMBPMFUSA-N 1 1 308.334 1.807 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619254976 363946734 /nfs/dbraw/zinc/94/67/34/363946734.db2.gz ROJGCUDFHWSZFV-DZGCQCFKSA-N 1 1 321.352 1.782 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376484073 307245556 /nfs/dbraw/zinc/24/55/56/307245556.db2.gz ILHUYGDQVPKWKT-UHFFFAOYSA-N 1 1 308.382 1.460 20 5 DDBDMO Cc1nn(CCC(=O)NC2C[NH+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000275226020 212207890 /nfs/dbraw/zinc/20/78/90/212207890.db2.gz LTFWNCCFBQIZPH-UHFFFAOYSA-N 1 1 309.370 1.007 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](O)C1 ZINC000265001615 204336611 /nfs/dbraw/zinc/33/66/11/204336611.db2.gz DXLGYMVEXQHDKS-SKDRFNHKSA-N 1 1 304.306 1.772 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](O)C1 ZINC000265001615 204336616 /nfs/dbraw/zinc/33/66/16/204336616.db2.gz DXLGYMVEXQHDKS-SKDRFNHKSA-N 1 1 304.306 1.772 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000567435193 304218666 /nfs/dbraw/zinc/21/86/66/304218666.db2.gz JPFVJIOMRYWUKH-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000285232020 218343471 /nfs/dbraw/zinc/34/34/71/218343471.db2.gz YEWBESGWALZYFC-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)OCCO2 ZINC000341049318 251355294 /nfs/dbraw/zinc/35/52/94/251355294.db2.gz CJCBQMCFUXDMLU-JTQLQIEISA-N 1 1 318.333 1.950 20 5 DDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)OCCO2 ZINC000341049373 251355535 /nfs/dbraw/zinc/35/55/35/251355535.db2.gz CJCBQMCFUXDMLU-SNVBAGLBSA-N 1 1 318.333 1.950 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000065867576 184381715 /nfs/dbraw/zinc/38/17/15/184381715.db2.gz JITQFLYFCGNLKI-LLVKDONJSA-N 1 1 309.370 1.090 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000444177172 532985044 /nfs/dbraw/zinc/98/50/44/532985044.db2.gz SUPXTHZWJJHNNE-NSHDSACASA-N 1 1 323.349 1.054 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](CCO)CC1CC1 ZINC000352479101 285080431 /nfs/dbraw/zinc/08/04/31/285080431.db2.gz AOCOHFSSARFWJL-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1cccn1 ZINC000352545625 285130810 /nfs/dbraw/zinc/13/08/10/285130810.db2.gz YSGPKOGIOJBVIV-CQSZACIVSA-N 1 1 304.350 1.327 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444644156 533142508 /nfs/dbraw/zinc/14/25/08/533142508.db2.gz UVCGRVXYJSAQCA-HNNXBMFYSA-N 1 1 318.333 1.856 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444644156 533142510 /nfs/dbraw/zinc/14/25/10/533142510.db2.gz UVCGRVXYJSAQCA-HNNXBMFYSA-N 1 1 318.333 1.856 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)COC(C)C ZINC000433153525 533218588 /nfs/dbraw/zinc/21/85/88/533218588.db2.gz PTGLRJZLOFYCMI-AWEZNQCLSA-N 1 1 312.366 1.821 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000433153525 533218595 /nfs/dbraw/zinc/21/85/95/533218595.db2.gz PTGLRJZLOFYCMI-AWEZNQCLSA-N 1 1 312.366 1.821 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC000451189548 533224092 /nfs/dbraw/zinc/22/40/92/533224092.db2.gz FPFXJJDXFQVQSV-JTQLQIEISA-N 1 1 311.313 1.976 20 5 DDBDMO COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000353286909 285643875 /nfs/dbraw/zinc/64/38/75/285643875.db2.gz PAIFEDONXZXYCU-UHFFFAOYSA-N 1 1 308.338 1.236 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070077004 406808607 /nfs/dbraw/zinc/80/86/07/406808607.db2.gz VQFUDNYLCHZVGK-QWRGUYRKSA-N 1 1 313.379 1.274 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044521397 407025110 /nfs/dbraw/zinc/02/51/10/407025110.db2.gz BZANDWZMHNXYIJ-UHFFFAOYSA-N 1 1 301.368 1.354 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670138 407060636 /nfs/dbraw/zinc/06/06/36/407060636.db2.gz QAPJHHFQSPGDAQ-UHFFFAOYSA-N 1 1 324.381 1.362 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209206 407240605 /nfs/dbraw/zinc/24/06/05/407240605.db2.gz JHCUTBVBEODPNV-AWEZNQCLSA-N 1 1 307.350 1.526 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000067807056 407285604 /nfs/dbraw/zinc/28/56/04/407285604.db2.gz FUSKEUMIKJGYAS-SNVBAGLBSA-N 1 1 309.322 1.274 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000067807056 407285607 /nfs/dbraw/zinc/28/56/07/407285607.db2.gz FUSKEUMIKJGYAS-SNVBAGLBSA-N 1 1 309.322 1.274 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068011971 407293493 /nfs/dbraw/zinc/29/34/93/407293493.db2.gz NQJRFKWOPHTPNQ-SNVBAGLBSA-N 1 1 310.329 1.530 20 5 DDBDMO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@H](C)C1 ZINC000068084340 407294285 /nfs/dbraw/zinc/29/42/85/407294285.db2.gz STEKDNZZAHAXKO-RYUDHWBXSA-N 1 1 309.370 1.028 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108343040 407384850 /nfs/dbraw/zinc/38/48/50/407384850.db2.gz NWWYVTHUXKMEJE-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO C[N@@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000108343040 407384852 /nfs/dbraw/zinc/38/48/52/407384852.db2.gz NWWYVTHUXKMEJE-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000108343040 407384854 /nfs/dbraw/zinc/38/48/54/407384854.db2.gz NWWYVTHUXKMEJE-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000126102788 407405516 /nfs/dbraw/zinc/40/55/16/407405516.db2.gz GQJZUEIPCGIYDZ-WVDJIFEKSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000126102788 407405517 /nfs/dbraw/zinc/40/55/17/407405517.db2.gz GQJZUEIPCGIYDZ-WVDJIFEKSA-N 1 1 300.380 1.802 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159340 407407101 /nfs/dbraw/zinc/40/71/01/407407101.db2.gz DBVNIYMGBRDROW-LITPITGPSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159340 407407104 /nfs/dbraw/zinc/40/71/04/407407104.db2.gz DBVNIYMGBRDROW-LITPITGPSA-N 1 1 300.380 1.327 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111321321 407407465 /nfs/dbraw/zinc/40/74/65/407407465.db2.gz HUAFIPJOXJLXGC-KNUOEEMSSA-N 1 1 322.361 1.322 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469573 407413862 /nfs/dbraw/zinc/41/38/62/407413862.db2.gz LLGLWCJQYKMWLV-GIPWTMENSA-N 1 1 300.380 1.672 20 5 DDBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063462 407493843 /nfs/dbraw/zinc/49/38/43/407493843.db2.gz TUTUCRVLOMYTLN-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063462 407493847 /nfs/dbraw/zinc/49/38/47/407493847.db2.gz TUTUCRVLOMYTLN-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063462 407493853 /nfs/dbraw/zinc/49/38/53/407493853.db2.gz TUTUCRVLOMYTLN-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270985692 407450739 /nfs/dbraw/zinc/45/07/39/407450739.db2.gz XSKFXBVGHSWZGK-WDMOLILDSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270985692 407450745 /nfs/dbraw/zinc/45/07/45/407450745.db2.gz XSKFXBVGHSWZGK-WDMOLILDSA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265795789 407460219 /nfs/dbraw/zinc/46/02/19/407460219.db2.gz MKUSOXXRBLTAAT-LBPRGKRZSA-N 1 1 305.378 1.940 20 5 DDBDMO COCC1=CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000185824236 407510534 /nfs/dbraw/zinc/51/05/34/407510534.db2.gz IXVRDDLIJRUQQO-OAHLLOKOSA-N 1 1 322.361 1.613 20 5 DDBDMO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000178954176 407672027 /nfs/dbraw/zinc/67/20/27/407672027.db2.gz LNYSVLJPBBTDGC-GHMZBOCLSA-N 1 1 313.379 1.274 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000271390224 407665229 /nfs/dbraw/zinc/66/52/29/407665229.db2.gz KYFRPUGGPVRAEW-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000117285747 407823505 /nfs/dbraw/zinc/82/35/05/407823505.db2.gz QGFGRKWUQVIWJU-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000117285747 407823509 /nfs/dbraw/zinc/82/35/09/407823509.db2.gz QGFGRKWUQVIWJU-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000153734022 407890124 /nfs/dbraw/zinc/89/01/24/407890124.db2.gz GSYNATDAPBTPJZ-UHFFFAOYSA-N 1 1 308.338 1.045 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272544371 407975684 /nfs/dbraw/zinc/97/56/84/407975684.db2.gz CJDIWVPGXCXKDV-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276224 407982066 /nfs/dbraw/zinc/98/20/66/407982066.db2.gz WGHODFVLYIRGOD-IAQYHMDHSA-N 1 1 303.362 1.736 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272441348 407923898 /nfs/dbraw/zinc/92/38/98/407923898.db2.gz INGPOMKBVCEFHH-DOMZBBRYSA-N 1 1 303.362 1.690 20 5 DDBDMO CNC(=O)CC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000175026152 408031804 /nfs/dbraw/zinc/03/18/04/408031804.db2.gz OTZUDQSWIHSENU-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175150099 408065109 /nfs/dbraw/zinc/06/51/09/408065109.db2.gz SZURXOXQQPIAOO-AWEZNQCLSA-N 1 1 321.377 1.667 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175150099 408065116 /nfs/dbraw/zinc/06/51/16/408065116.db2.gz SZURXOXQQPIAOO-AWEZNQCLSA-N 1 1 321.377 1.667 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246142594 408154855 /nfs/dbraw/zinc/15/48/55/408154855.db2.gz KPSHJFXDYIEGPH-VXGBXAGGSA-N 1 1 321.381 1.391 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246142594 408154862 /nfs/dbraw/zinc/15/48/62/408154862.db2.gz KPSHJFXDYIEGPH-VXGBXAGGSA-N 1 1 321.381 1.391 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190112769 408168328 /nfs/dbraw/zinc/16/83/28/408168328.db2.gz IIKUBCRXERDDMB-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190112769 408168333 /nfs/dbraw/zinc/16/83/33/408168333.db2.gz IIKUBCRXERDDMB-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000190240531 408198398 /nfs/dbraw/zinc/19/83/98/408198398.db2.gz FYAIIRXUAMBPQI-YVZNUBBCSA-N 1 1 305.378 1.606 20 5 DDBDMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182671685 408217581 /nfs/dbraw/zinc/21/75/81/408217581.db2.gz SLBYCEBCTTZCBM-JTQLQIEISA-N 1 1 323.349 1.467 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000190376770 408230686 /nfs/dbraw/zinc/23/06/86/408230686.db2.gz ZWDVSFFSCBOUHW-ZWNOBZJWSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000190376770 408230689 /nfs/dbraw/zinc/23/06/89/408230689.db2.gz ZWDVSFFSCBOUHW-ZWNOBZJWSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202337 408352482 /nfs/dbraw/zinc/35/24/82/408352482.db2.gz UVHSEDUHHAFEIX-GHMZBOCLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225392 408359970 /nfs/dbraw/zinc/35/99/70/408359970.db2.gz QQHCYTHPSTUFMN-SCRDCRAPSA-N 1 1 310.350 1.037 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000274555567 408447704 /nfs/dbraw/zinc/44/77/04/408447704.db2.gz YLLDYAPQSJLIQB-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247090678 408406809 /nfs/dbraw/zinc/40/68/09/408406809.db2.gz UJCROWLDZBLADJ-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247090678 408406815 /nfs/dbraw/zinc/40/68/15/408406815.db2.gz UJCROWLDZBLADJ-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000247161599 408418114 /nfs/dbraw/zinc/41/81/14/408418114.db2.gz MIWSTJFFHIUTGG-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274601304 408465493 /nfs/dbraw/zinc/46/54/93/408465493.db2.gz XDDGGGJXADRSHM-UHFFFAOYSA-N 1 1 321.333 1.385 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000270492128 408550587 /nfs/dbraw/zinc/55/05/87/408550587.db2.gz ATWDHSSXBDMVHX-ZDUSSCGKSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000270492128 408550590 /nfs/dbraw/zinc/55/05/90/408550590.db2.gz ATWDHSSXBDMVHX-ZDUSSCGKSA-N 1 1 319.361 1.800 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265119906 408558590 /nfs/dbraw/zinc/55/85/90/408558590.db2.gz NIXBFJGVSZIDMA-UHFFFAOYSA-N 1 1 323.397 1.819 20 5 DDBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265205457 408578812 /nfs/dbraw/zinc/57/88/12/408578812.db2.gz KNNCQVJRERXVMN-GFCCVEGCSA-N 1 1 313.379 1.095 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000275211435 408580609 /nfs/dbraw/zinc/58/06/09/408580609.db2.gz JKEVOGUTYQRSPD-UHFFFAOYSA-N 1 1 314.345 1.965 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248586226 408592470 /nfs/dbraw/zinc/59/24/70/408592470.db2.gz QYLOCRBARMMPDC-WOPDTQHZSA-N 1 1 307.350 1.625 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000270619768 408606932 /nfs/dbraw/zinc/60/69/32/408606932.db2.gz RGNMKUUFYGAAKQ-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270619768 408606934 /nfs/dbraw/zinc/60/69/34/408606934.db2.gz RGNMKUUFYGAAKQ-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270619768 408606938 /nfs/dbraw/zinc/60/69/38/408606938.db2.gz RGNMKUUFYGAAKQ-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000162670286 408727115 /nfs/dbraw/zinc/72/71/15/408727115.db2.gz WGGAEJYSPPVETO-ZYHUDNBSSA-N 1 1 319.365 1.407 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249492440 408731407 /nfs/dbraw/zinc/73/14/07/408731407.db2.gz FNXHOTOTDUYEIS-STQMWFEESA-N 1 1 307.394 1.790 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000194725225 408795105 /nfs/dbraw/zinc/79/51/05/408795105.db2.gz CQASJPDDPSNCAA-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000194725225 408795109 /nfs/dbraw/zinc/79/51/09/408795109.db2.gz CQASJPDDPSNCAA-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO CCC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185183610 408776805 /nfs/dbraw/zinc/77/68/05/408776805.db2.gz FIAYYRGBHCYOBR-UHFFFAOYSA-N 1 1 313.329 1.767 20 5 DDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285853558 408875914 /nfs/dbraw/zinc/87/59/14/408875914.db2.gz QHPFRHDJNVXVLC-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857039 408877742 /nfs/dbraw/zinc/87/77/42/408877742.db2.gz IJSILTPKOHRNOT-CZUORRHYSA-N 1 1 305.378 1.890 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285780980 408863482 /nfs/dbraw/zinc/86/34/82/408863482.db2.gz NAVAKFBQSMKVFV-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+](C2CCC2)C1 ZINC000291621529 408896096 /nfs/dbraw/zinc/89/60/96/408896096.db2.gz ATSSNMXPUGGIIT-JTQLQIEISA-N 1 1 306.370 1.278 20 5 DDBDMO Cc1cccc2c1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371233 408928720 /nfs/dbraw/zinc/92/87/20/408928720.db2.gz XQOXCLZKSKOMCX-OAHLLOKOSA-N 1 1 316.361 1.519 20 5 DDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCn4cc([N+](=O)[O-])ccc4=O)[C@H]1[C@H]3C2 ZINC000286435532 408985607 /nfs/dbraw/zinc/98/56/07/408985607.db2.gz JBFVOYUNKKICJH-GSJWJAIFSA-N 1 1 319.361 1.112 20 5 DDBDMO Cc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701801 409040039 /nfs/dbraw/zinc/04/00/39/409040039.db2.gz SBOMCNDSZACXGE-LSDHHAIUSA-N 1 1 309.341 1.952 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293288053 409083118 /nfs/dbraw/zinc/08/31/18/409083118.db2.gz VURYUIXGWSLYMN-KBPBESRZSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293375850 409101771 /nfs/dbraw/zinc/10/17/71/409101771.db2.gz JNQYFQFKCHVJFA-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293375850 409101773 /nfs/dbraw/zinc/10/17/73/409101773.db2.gz JNQYFQFKCHVJFA-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CCOc1cccc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284995673 409391006 /nfs/dbraw/zinc/39/10/06/409391006.db2.gz LREHYTSGIHXJDQ-ZIAGYGMSSA-N 1 1 321.377 1.903 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1F)C1CC1 ZINC000296100497 409429735 /nfs/dbraw/zinc/42/97/35/409429735.db2.gz ZXCWESOZQWMRBO-SECBINFHSA-N 1 1 302.277 1.707 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290575618 409449073 /nfs/dbraw/zinc/44/90/73/409449073.db2.gz UZNYAZYOIGUGDC-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549126 164050815 /nfs/dbraw/zinc/05/08/15/164050815.db2.gz YAEUHGAPYHMVND-WDEREUQCSA-N 1 1 322.340 1.673 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000363010927 164159697 /nfs/dbraw/zinc/15/96/97/164159697.db2.gz WMQJJUUMKRIUQF-GFCCVEGCSA-N 1 1 321.381 1.315 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290694976 409490152 /nfs/dbraw/zinc/49/01/52/409490152.db2.gz VDGLIZLEIRVDKA-LLVKDONJSA-N 1 1 321.381 1.621 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354006981 409595057 /nfs/dbraw/zinc/59/50/57/409595057.db2.gz OFCRSYDGTFOLIU-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290282 409597694 /nfs/dbraw/zinc/59/76/94/409597694.db2.gz CFDLHPLGNGUOLU-PAPYEOQZSA-N 1 1 308.382 1.805 20 5 DDBDMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623720 409706835 /nfs/dbraw/zinc/70/68/35/409706835.db2.gz YEXKBUXXPHEAMA-ILXRZTDVSA-N 1 1 324.381 1.043 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000331595777 409675993 /nfs/dbraw/zinc/67/59/93/409675993.db2.gz YHPBUYQJGQHPJK-LBPRGKRZSA-N 1 1 319.361 1.878 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357049850 409819432 /nfs/dbraw/zinc/81/94/32/409819432.db2.gz HOLQMOAPOWWGLM-QWRGUYRKSA-N 1 1 309.370 1.273 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000357154825 409906923 /nfs/dbraw/zinc/90/69/23/409906923.db2.gz FKXLWESIFCHIGF-CQSZACIVSA-N 1 1 307.350 1.240 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000357154825 409906932 /nfs/dbraw/zinc/90/69/32/409906932.db2.gz FKXLWESIFCHIGF-CQSZACIVSA-N 1 1 307.350 1.240 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(CCO)CC1 ZINC000357643508 410157525 /nfs/dbraw/zinc/15/75/25/410157525.db2.gz DXIGETBYCBOGTD-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351827956 410271648 /nfs/dbraw/zinc/27/16/48/410271648.db2.gz MSUSNIUMXFCBPM-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347004176 410306953 /nfs/dbraw/zinc/30/69/53/410306953.db2.gz BGCTZCGMAQWNFM-ZDUSSCGKSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCCC[C@@H]1C ZINC000347012137 410312057 /nfs/dbraw/zinc/31/20/57/410312057.db2.gz LSJBRUAPOIIYCR-QWRGUYRKSA-N 1 1 309.370 1.321 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777804 410394075 /nfs/dbraw/zinc/39/40/75/410394075.db2.gz DIIBZXMFQSDFJR-QWRGUYRKSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777804 410394082 /nfs/dbraw/zinc/39/40/82/410394082.db2.gz DIIBZXMFQSDFJR-QWRGUYRKSA-N 1 1 321.333 1.417 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000355376251 410481116 /nfs/dbraw/zinc/48/11/16/410481116.db2.gz XEPFMWCKHRBWAD-GJZGRUSLSA-N 1 1 319.361 1.530 20 5 DDBDMO Cc1c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000358577104 410484624 /nfs/dbraw/zinc/48/46/24/410484624.db2.gz FYMMWVQENRUMEJ-ZDUSSCGKSA-N 1 1 306.366 1.797 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000343550614 410526032 /nfs/dbraw/zinc/52/60/32/410526032.db2.gz CCXJOILHUVPQTH-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000343615847 410572837 /nfs/dbraw/zinc/57/28/37/410572837.db2.gz RTBLTUWHOUHKOP-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000352196559 410540599 /nfs/dbraw/zinc/54/05/99/410540599.db2.gz ZXRGEQDHKBAZQG-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000352196559 410540604 /nfs/dbraw/zinc/54/06/04/410540604.db2.gz ZXRGEQDHKBAZQG-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000343595915 410562068 /nfs/dbraw/zinc/56/20/68/410562068.db2.gz HSOGKQHRPSGMBC-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000301400404 410715764 /nfs/dbraw/zinc/71/57/64/410715764.db2.gz IGQXZXPSTWGWOC-CYBMUJFWSA-N 1 1 308.382 1.845 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343914972 410804233 /nfs/dbraw/zinc/80/42/33/410804233.db2.gz WJUIARQZKPMYLV-WFASDCNBSA-N 1 1 320.393 1.919 20 5 DDBDMO Cc1cc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301591952 410749835 /nfs/dbraw/zinc/74/98/35/410749835.db2.gz YMBUURHMBHKJCR-KGLIPLIRSA-N 1 1 320.393 1.724 20 5 DDBDMO COC(=O)c1cnc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000302747396 410856880 /nfs/dbraw/zinc/85/68/80/410856880.db2.gz GAVZRNVOLWPSLG-JTQLQIEISA-N 1 1 308.338 1.530 20 5 DDBDMO COC(=O)c1cnc(NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000302781580 410862964 /nfs/dbraw/zinc/86/29/64/410862964.db2.gz SCLZXEFFWKZMKM-UHFFFAOYSA-N 1 1 320.349 1.840 20 5 DDBDMO CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000330602316 410817534 /nfs/dbraw/zinc/81/75/34/410817534.db2.gz FHKOUZBNQXMHOU-OCCSQVGLSA-N 1 1 323.393 1.577 20 5 DDBDMO CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000330602316 410817539 /nfs/dbraw/zinc/81/75/39/410817539.db2.gz FHKOUZBNQXMHOU-OCCSQVGLSA-N 1 1 323.393 1.577 20 5 DDBDMO Cc1c(CNC(=O)[C@@H](C)[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000331105409 410949384 /nfs/dbraw/zinc/94/93/84/410949384.db2.gz GFBWXTTURJJWMJ-GFCCVEGCSA-N 1 1 323.418 1.957 20 5 DDBDMO Cc1cc(C(=O)NCCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000356500183 411058447 /nfs/dbraw/zinc/05/84/47/411058447.db2.gz DDOMHSZYDOIVHX-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1cc(C(=O)NCCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000356500183 411058452 /nfs/dbraw/zinc/05/84/52/411058452.db2.gz DDOMHSZYDOIVHX-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1ccnc1 ZINC000129820290 196078157 /nfs/dbraw/zinc/07/81/57/196078157.db2.gz DBNCRLPUSOSBBL-OLZOCXBDSA-N 1 1 304.354 1.571 20 5 DDBDMO CCC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000132469913 196257510 /nfs/dbraw/zinc/25/75/10/196257510.db2.gz QFYKMKQBPCUQHZ-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000132469913 196257512 /nfs/dbraw/zinc/25/75/12/196257512.db2.gz QFYKMKQBPCUQHZ-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756842 416562005 /nfs/dbraw/zinc/56/20/05/416562005.db2.gz WXUHWAPJSSCJHP-GARJFASQSA-N 1 1 306.370 1.134 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366295035 418453280 /nfs/dbraw/zinc/45/32/80/418453280.db2.gz PTQVWUVAGRYZJA-BXUZGUMPSA-N 1 1 304.350 1.546 20 5 DDBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000360651166 418483857 /nfs/dbraw/zinc/48/38/57/418483857.db2.gz FWWZAXQQUKBHDW-WDEREUQCSA-N 1 1 313.379 1.356 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000361043150 418572303 /nfs/dbraw/zinc/57/23/03/418572303.db2.gz NZWFHIHSAZNJKI-NSHDSACASA-N 1 1 304.354 1.847 20 5 DDBDMO CNc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360937552 418551305 /nfs/dbraw/zinc/55/13/05/418551305.db2.gz LPROCLPFMDMKRS-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360937552 418551309 /nfs/dbraw/zinc/55/13/09/418551309.db2.gz LPROCLPFMDMKRS-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374679135 418554212 /nfs/dbraw/zinc/55/42/12/418554212.db2.gz MOMVAUZIIUYITG-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189819088 222057740 /nfs/dbraw/zinc/05/77/40/222057740.db2.gz KCWBDOMDKQIIEP-OAHLLOKOSA-N 1 1 305.378 1.984 20 5 DDBDMO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189819088 222057743 /nfs/dbraw/zinc/05/77/43/222057743.db2.gz KCWBDOMDKQIIEP-OAHLLOKOSA-N 1 1 305.378 1.984 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037018 418593163 /nfs/dbraw/zinc/59/31/63/418593163.db2.gz HXURXPBZETUEKB-FZMZJTMJSA-N 1 1 318.377 1.652 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375036890 418593434 /nfs/dbraw/zinc/59/34/34/418593434.db2.gz IJGGVTLPBJRZJV-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375028368 418590543 /nfs/dbraw/zinc/59/05/43/418590543.db2.gz CJZVNEMITLNGDK-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1cccc(NCCNc2ccc3ncc([N+](=O)[O-])n3n2)[nH+]1 ZINC000347862278 418639334 /nfs/dbraw/zinc/63/93/34/418639334.db2.gz NGQDKAMVUJFGQD-UHFFFAOYSA-N 1 1 313.321 1.865 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000368259872 418711434 /nfs/dbraw/zinc/71/14/34/418711434.db2.gz GTDCVJGUNWEDSF-INIZCTEOSA-N 1 1 316.361 1.464 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000368259872 418711436 /nfs/dbraw/zinc/71/14/36/418711436.db2.gz GTDCVJGUNWEDSF-INIZCTEOSA-N 1 1 316.361 1.464 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367984791 418668604 /nfs/dbraw/zinc/66/86/04/418668604.db2.gz YWLSZLINJMBRJP-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC000372497087 418877979 /nfs/dbraw/zinc/87/79/79/418877979.db2.gz OLBHUZGBJYGCOS-ILWJIGKKSA-N 1 1 307.354 1.365 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000411476552 418908005 /nfs/dbraw/zinc/90/80/05/418908005.db2.gz BXFANZRKSKCEJC-NEPJUHHUSA-N 1 1 307.350 1.541 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000420966306 419387506 /nfs/dbraw/zinc/38/75/06/419387506.db2.gz VBLOFDOAZGSXIY-DZGCQCFKSA-N 1 1 308.382 1.664 20 5 DDBDMO Nc1c([N+](=O)[O-])cnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421220921 419529670 /nfs/dbraw/zinc/52/96/70/419529670.db2.gz XPIZWIIJJKANQP-UHFFFAOYSA-N 1 1 317.349 1.254 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079782 419632953 /nfs/dbraw/zinc/63/29/53/419632953.db2.gz NATDXKPYNVKAED-UMVBOHGHSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000412038678 419583505 /nfs/dbraw/zinc/58/35/05/419583505.db2.gz PCPCWBCBKNHKGC-YPMHNXCESA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1([NH3+])CCC1 ZINC000414884003 419859053 /nfs/dbraw/zinc/85/90/53/419859053.db2.gz VKCCEXGZRCBIPG-NSHDSACASA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCC1 ZINC000414884003 419859060 /nfs/dbraw/zinc/85/90/60/419859060.db2.gz VKCCEXGZRCBIPG-NSHDSACASA-N 1 1 306.366 1.783 20 5 DDBDMO CC(C)c1ccc(C[NH2+]C[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414961083 419896769 /nfs/dbraw/zinc/89/67/69/419896769.db2.gz IHJBWWSXLYMDSE-CQSZACIVSA-N 1 1 306.410 1.711 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000432249304 229090137 /nfs/dbraw/zinc/09/01/37/229090137.db2.gz CUTUUKFJVVFKQQ-CHWSQXEVSA-N 1 1 321.377 1.833 20 5 DDBDMO COCC[NH2+]CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326011 420014048 /nfs/dbraw/zinc/01/40/48/420014048.db2.gz IWSCJUDQULLFTD-STQMWFEESA-N 1 1 311.386 1.101 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430928494 420210155 /nfs/dbraw/zinc/21/01/55/420210155.db2.gz UFNYFSBWXSMQLC-ZDUSSCGKSA-N 1 1 320.393 1.773 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420585838 420324081 /nfs/dbraw/zinc/32/40/81/420324081.db2.gz NFSGGRGPYRQTGY-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000425284895 420339739 /nfs/dbraw/zinc/33/97/39/420339739.db2.gz WEGJGFQWBQJSKP-UHFFFAOYSA-N 1 1 312.345 1.676 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000439696543 420531324 /nfs/dbraw/zinc/53/13/24/420531324.db2.gz NMXWLNXCBOGLMJ-CYBMUJFWSA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635537 420606627 /nfs/dbraw/zinc/60/66/27/420606627.db2.gz RHUYMEFGDNFENO-WQAKAFBOSA-N 1 1 303.318 1.169 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000457003921 420585609 /nfs/dbraw/zinc/58/56/09/420585609.db2.gz XQWBSIAZQZOJSO-CYBMUJFWSA-N 1 1 314.345 1.720 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000453040661 420706584 /nfs/dbraw/zinc/70/65/84/420706584.db2.gz UEDSLJPEGFNDMB-RNCFNFMXSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000453040661 420706587 /nfs/dbraw/zinc/70/65/87/420706587.db2.gz UEDSLJPEGFNDMB-RNCFNFMXSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000453040661 420706590 /nfs/dbraw/zinc/70/65/90/420706590.db2.gz UEDSLJPEGFNDMB-RNCFNFMXSA-N 1 1 315.333 1.247 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000453046876 420708193 /nfs/dbraw/zinc/70/81/93/420708193.db2.gz YRHOZWOCLGIWTF-QLFBSQMISA-N 1 1 306.366 1.273 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000459810182 420879670 /nfs/dbraw/zinc/87/96/70/420879670.db2.gz PZORAKJDBIUKFV-NSHDSACASA-N 1 1 312.370 1.701 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455625956 421046174 /nfs/dbraw/zinc/04/61/74/421046174.db2.gz OOSWVTIMYLNURX-NSHDSACASA-N 1 1 321.381 1.636 20 5 DDBDMO C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1CCO ZINC000490064923 421187893 /nfs/dbraw/zinc/18/78/93/421187893.db2.gz VHUPFYGVTHPDDS-NSHDSACASA-N 1 1 317.349 1.041 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CCCO)c(Cl)c1 ZINC000450599219 421215005 /nfs/dbraw/zinc/21/50/05/421215005.db2.gz SEFCRZFVKLZQAE-SNVBAGLBSA-N 1 1 314.773 1.902 20 5 DDBDMO COc1c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000527248557 421371502 /nfs/dbraw/zinc/37/15/02/421371502.db2.gz GPNDXDPCZCXVDW-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000548491785 421444587 /nfs/dbraw/zinc/44/45/87/421444587.db2.gz LYWICEBXIJZXOA-UHFFFAOYSA-N 1 1 309.370 1.275 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225691 421534258 /nfs/dbraw/zinc/53/42/58/421534258.db2.gz ATCQPMDXXIVKGQ-TZMCWYRMSA-N 1 1 321.377 1.535 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554868331 421664156 /nfs/dbraw/zinc/66/41/56/421664156.db2.gz FBHGZEISKJLLHI-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)C1 ZINC000556734267 421729817 /nfs/dbraw/zinc/72/98/17/421729817.db2.gz ORMVHMDSRMLZOX-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)C1 ZINC000556734267 421729819 /nfs/dbraw/zinc/72/98/19/421729819.db2.gz ORMVHMDSRMLZOX-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO NC(=O)c1cccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000557520147 421774043 /nfs/dbraw/zinc/77/40/43/421774043.db2.gz WBQWURCPHWKIKJ-JTQLQIEISA-N 1 1 304.350 1.590 20 5 DDBDMO O=C1C[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960201 421874505 /nfs/dbraw/zinc/87/45/05/421874505.db2.gz HCNHCLOGAZDERY-YPMHNXCESA-N 1 1 303.318 1.189 20 5 DDBDMO O=C1C[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960201 421874508 /nfs/dbraw/zinc/87/45/08/421874508.db2.gz HCNHCLOGAZDERY-YPMHNXCESA-N 1 1 303.318 1.189 20 5 DDBDMO Cc1nnsc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583937287 422221389 /nfs/dbraw/zinc/22/13/89/422221389.db2.gz HWGSOSHCZQHZRC-JTQLQIEISA-N 1 1 320.378 1.836 20 5 DDBDMO Cc1nnsc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583937287 422221395 /nfs/dbraw/zinc/22/13/95/422221395.db2.gz HWGSOSHCZQHZRC-JTQLQIEISA-N 1 1 320.378 1.836 20 5 DDBDMO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](C2CC2)C1 ZINC000575873021 422340546 /nfs/dbraw/zinc/34/05/46/422340546.db2.gz PJNPGKWQCVAWOG-LLVKDONJSA-N 1 1 316.365 1.558 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345307573 272214542 /nfs/dbraw/zinc/21/45/42/272214542.db2.gz WZBOILMMRLHXGD-NXEZZACHSA-N 1 1 309.370 1.654 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000345924847 272367062 /nfs/dbraw/zinc/36/70/62/272367062.db2.gz SAIMDUFOGUAZRS-QWRGUYRKSA-N 1 1 306.366 1.853 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269361859 276379476 /nfs/dbraw/zinc/37/94/76/276379476.db2.gz JSOQEFDHECGJFL-JTQLQIEISA-N 1 1 309.370 1.655 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000296854740 277180771 /nfs/dbraw/zinc/18/07/71/277180771.db2.gz UMCMRHATTRNQIO-UONOGXRCSA-N 1 1 317.349 1.380 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023919 278001105 /nfs/dbraw/zinc/00/11/05/278001105.db2.gz ZHOYELSPTFWFJZ-HNNXBMFYSA-N 1 1 321.381 1.609 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023919 278001106 /nfs/dbraw/zinc/00/11/06/278001106.db2.gz ZHOYELSPTFWFJZ-HNNXBMFYSA-N 1 1 321.381 1.609 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023919 278001108 /nfs/dbraw/zinc/00/11/08/278001108.db2.gz ZHOYELSPTFWFJZ-HNNXBMFYSA-N 1 1 321.381 1.609 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492687745 279564693 /nfs/dbraw/zinc/56/46/93/279564693.db2.gz HNODVCDYVHVARO-SZZPACECSA-N 1 1 319.361 1.133 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(CO)o3)C2)nc1 ZINC000093534483 281042873 /nfs/dbraw/zinc/04/28/73/281042873.db2.gz NAVCLDYHJCGNIY-LLVKDONJSA-N 1 1 318.333 1.762 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000362100562 300005396 /nfs/dbraw/zinc/00/53/96/300005396.db2.gz XSZMJBSKTGDBPE-JQWIXIFHSA-N 1 1 318.333 1.705 20 5 DDBDMO COCCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362886662 300170693 /nfs/dbraw/zinc/17/06/93/300170693.db2.gz XQDAKOFMJQFGHL-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295551 300246480 /nfs/dbraw/zinc/24/64/80/300246480.db2.gz HVUGFFZWCLUJPT-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295551 300246481 /nfs/dbraw/zinc/24/64/81/300246481.db2.gz HVUGFFZWCLUJPT-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295551 300246483 /nfs/dbraw/zinc/24/64/83/300246483.db2.gz HVUGFFZWCLUJPT-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363322228 300251106 /nfs/dbraw/zinc/25/11/06/300251106.db2.gz BLYKQXZWTXRHTO-JTQLQIEISA-N 1 1 306.326 1.399 20 5 DDBDMO Cc1noc([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363322228 300251108 /nfs/dbraw/zinc/25/11/08/300251108.db2.gz BLYKQXZWTXRHTO-JTQLQIEISA-N 1 1 306.326 1.399 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651024 300293057 /nfs/dbraw/zinc/29/30/57/300293057.db2.gz JNNXLBTWHYODGB-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1c(CN2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000366510592 300708379 /nfs/dbraw/zinc/70/83/79/300708379.db2.gz HCBBNGFVXDQOSM-HNNXBMFYSA-N 1 1 305.378 1.810 20 5 DDBDMO O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368475526 301036310 /nfs/dbraw/zinc/03/63/10/301036310.db2.gz TZCFCMGTRVHHPH-HNNXBMFYSA-N 1 1 305.334 1.380 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368475526 301036313 /nfs/dbraw/zinc/03/63/13/301036313.db2.gz TZCFCMGTRVHHPH-HNNXBMFYSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cccc1[N+](=O)[O-] ZINC000369042767 301124174 /nfs/dbraw/zinc/12/41/74/301124174.db2.gz WSUPQJVPPUYABO-OAHLLOKOSA-N 1 1 305.334 1.978 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cccc1[N+](=O)[O-] ZINC000369042767 301124177 /nfs/dbraw/zinc/12/41/77/301124177.db2.gz WSUPQJVPPUYABO-OAHLLOKOSA-N 1 1 305.334 1.978 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000369998239 301255050 /nfs/dbraw/zinc/25/50/50/301255050.db2.gz QRCPFOHZFWNPPX-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369998239 301255053 /nfs/dbraw/zinc/25/50/53/301255053.db2.gz QRCPFOHZFWNPPX-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369998239 301255056 /nfs/dbraw/zinc/25/50/56/301255056.db2.gz QRCPFOHZFWNPPX-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377673040 302209187 /nfs/dbraw/zinc/20/91/87/302209187.db2.gz RLMNOGOHGSYJAW-FZMZJTMJSA-N 1 1 305.334 1.042 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000532134265 303276259 /nfs/dbraw/zinc/27/62/59/303276259.db2.gz VLVVJCLGMXDMNM-NWDGAFQWSA-N 1 1 306.366 1.840 20 5 DDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554877962 303709358 /nfs/dbraw/zinc/70/93/58/303709358.db2.gz SYTUSGMJDVGQTP-SNVBAGLBSA-N 1 1 318.337 1.382 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]12 ZINC000366325108 307070915 /nfs/dbraw/zinc/07/09/15/307070915.db2.gz JEPKZPDASJPCHW-QWRGUYRKSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]12 ZINC000366325108 307070916 /nfs/dbraw/zinc/07/09/16/307070916.db2.gz JEPKZPDASJPCHW-QWRGUYRKSA-N 1 1 323.736 1.343 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000375300178 307221018 /nfs/dbraw/zinc/22/10/18/307221018.db2.gz WJNYTUPGWDIQGA-AWEZNQCLSA-N 1 1 308.334 1.569 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000375300178 307221019 /nfs/dbraw/zinc/22/10/19/307221019.db2.gz WJNYTUPGWDIQGA-AWEZNQCLSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000421021016 307300515 /nfs/dbraw/zinc/30/05/15/307300515.db2.gz NVWXYBAYCGTULF-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000577527459 308396211 /nfs/dbraw/zinc/39/62/11/308396211.db2.gz BQNZZJUMCFAWLB-UHFFFAOYSA-N 1 1 306.366 1.871 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000582724550 337125552 /nfs/dbraw/zinc/12/55/52/337125552.db2.gz ZVZXYFQCZZVFDK-ZFWWWQNUSA-N 1 1 317.349 1.037 20 5 DDBDMO CC(C)NC(=O)NCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000584587848 337370088 /nfs/dbraw/zinc/37/00/88/337370088.db2.gz GKBZXZUEXJBTNX-UHFFFAOYSA-N 1 1 308.382 1.777 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000374528170 483938800 /nfs/dbraw/zinc/93/88/00/483938800.db2.gz ATYTZKUHILKRFL-LBPRGKRZSA-N 1 1 317.349 1.971 20 5 DDBDMO COc1cc(C[NH2+][C@@H](CO)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000494808284 533893048 /nfs/dbraw/zinc/89/30/48/533893048.db2.gz JFMONQDDOCKZOH-LBPRGKRZSA-N 1 1 306.322 1.160 20 5 DDBDMO C[C@]12C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452055515 534189650 /nfs/dbraw/zinc/18/96/50/534189650.db2.gz UMDLCUOOHJWRKQ-XHXGSEDSSA-N 1 1 320.393 1.520 20 5 DDBDMO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)OC ZINC000299352607 528400799 /nfs/dbraw/zinc/40/07/99/528400799.db2.gz RWKOBXFCABEBCA-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)OC ZINC000299352607 528400801 /nfs/dbraw/zinc/40/08/01/528400801.db2.gz RWKOBXFCABEBCA-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253358 529338671 /nfs/dbraw/zinc/33/86/71/529338671.db2.gz JNZSTJUTPAXASJ-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000981763844 696906596 /nfs/dbraw/zinc/90/65/96/696906596.db2.gz LXLHHDPJEQVXHB-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000981763844 696906599 /nfs/dbraw/zinc/90/65/99/696906599.db2.gz LXLHHDPJEQVXHB-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000981763844 696906603 /nfs/dbraw/zinc/90/66/03/696906603.db2.gz LXLHHDPJEQVXHB-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCOCC1 ZINC000748492531 700121628 /nfs/dbraw/zinc/12/16/28/700121628.db2.gz RCPGTIBFIBZWSV-UHFFFAOYSA-N 1 1 324.333 1.239 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCOCC1 ZINC000748499267 700122411 /nfs/dbraw/zinc/12/24/11/700122411.db2.gz WOYKHVMVFPWEFP-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO C[N@@H+](Cc1ccns1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426214 697509004 /nfs/dbraw/zinc/50/90/04/697509004.db2.gz NINOXHGYOOWQGG-CHWSQXEVSA-N 1 1 324.406 1.231 20 5 DDBDMO C[N@H+](Cc1ccns1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426214 697509006 /nfs/dbraw/zinc/50/90/06/697509006.db2.gz NINOXHGYOOWQGG-CHWSQXEVSA-N 1 1 324.406 1.231 20 5 DDBDMO C[N@@H+](Cc1ccns1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426214 697509008 /nfs/dbraw/zinc/50/90/08/697509008.db2.gz NINOXHGYOOWQGG-CHWSQXEVSA-N 1 1 324.406 1.231 20 5 DDBDMO C[N@@H+](Cc1cncs1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985427200 697509285 /nfs/dbraw/zinc/50/92/85/697509285.db2.gz XTCQFMDWEQYFNO-CHWSQXEVSA-N 1 1 324.406 1.231 20 5 DDBDMO C[N@H+](Cc1cncs1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985427200 697509286 /nfs/dbraw/zinc/50/92/86/697509286.db2.gz XTCQFMDWEQYFNO-CHWSQXEVSA-N 1 1 324.406 1.231 20 5 DDBDMO C[N@@H+](Cc1cncs1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985427200 697509287 /nfs/dbraw/zinc/50/92/87/697509287.db2.gz XTCQFMDWEQYFNO-CHWSQXEVSA-N 1 1 324.406 1.231 20 5 DDBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193359466 697661915 /nfs/dbraw/zinc/66/19/15/697661915.db2.gz WVCUYSLZFNSUOU-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749953537 700194350 /nfs/dbraw/zinc/19/43/50/700194350.db2.gz NSGWZSLPCRKACA-GFCCVEGCSA-N 1 1 319.365 1.964 20 5 DDBDMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271804 698090314 /nfs/dbraw/zinc/09/03/14/698090314.db2.gz HKHOOXMNMGWFGO-DZGCQCFKSA-N 1 1 322.361 1.903 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3C[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000782603122 698747921 /nfs/dbraw/zinc/74/79/21/698747921.db2.gz GBONWZYDSFKGSG-WBMJQRKESA-N 1 1 319.361 1.546 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c2c(c1)COCO2 ZINC000782607982 698748961 /nfs/dbraw/zinc/74/89/61/698748961.db2.gz XCDXNHDBDPSXIH-SWLSCSKDSA-N 1 1 306.318 1.276 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c2c(c1)COCO2 ZINC000782607982 698748964 /nfs/dbraw/zinc/74/89/64/698748964.db2.gz XCDXNHDBDPSXIH-SWLSCSKDSA-N 1 1 306.318 1.276 20 5 DDBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc[nH+]1 ZINC000787112941 699191056 /nfs/dbraw/zinc/19/10/56/699191056.db2.gz BKFSWRAMRITIEW-UHFFFAOYSA-N 1 1 301.306 1.890 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000787247955 699200015 /nfs/dbraw/zinc/20/00/15/699200015.db2.gz VTIRFWYJRVRZCZ-GXFFZTMASA-N 1 1 318.333 1.785 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000787247955 699200016 /nfs/dbraw/zinc/20/00/16/699200016.db2.gz VTIRFWYJRVRZCZ-GXFFZTMASA-N 1 1 318.333 1.785 20 5 DDBDMO COCC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731208477 699524278 /nfs/dbraw/zinc/52/42/78/699524278.db2.gz HMINZQAOVJZYST-UHFFFAOYSA-N 1 1 322.390 1.973 20 5 DDBDMO C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000742172571 699863043 /nfs/dbraw/zinc/86/30/43/699863043.db2.gz FTCJYTZNASSLEZ-UHFFFAOYSA-N 1 1 318.333 1.805 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744401438 699948155 /nfs/dbraw/zinc/94/81/55/699948155.db2.gz VPQGVHNONUYKSV-UHFFFAOYSA-N 1 1 305.338 1.683 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056552 700837639 /nfs/dbraw/zinc/83/76/39/700837639.db2.gz YADKAXYKHMQBIA-WPRPVWTQSA-N 1 1 308.260 1.036 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC000768770140 701201163 /nfs/dbraw/zinc/20/11/63/701201163.db2.gz SEHCUZDMDSHCMF-PRHODGIISA-N 1 1 313.741 1.499 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC000768770140 701201166 /nfs/dbraw/zinc/20/11/66/701201166.db2.gz SEHCUZDMDSHCMF-PRHODGIISA-N 1 1 313.741 1.499 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118326 701977757 /nfs/dbraw/zinc/97/77/57/701977757.db2.gz DBDZOADAHRXHMU-MJBXVCDLSA-N 1 1 308.382 1.991 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866204652 706648047 /nfs/dbraw/zinc/64/80/47/706648047.db2.gz FMUURESLXBONGC-RISCZKNCSA-N 1 1 318.377 1.485 20 5 DDBDMO C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365769 702867245 /nfs/dbraw/zinc/86/72/45/702867245.db2.gz RPCIXLZEMSHCPG-WDEREUQCSA-N 1 1 324.356 1.732 20 5 DDBDMO C[N@H+]1CC[C@H](CCOC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000847823443 703472807 /nfs/dbraw/zinc/47/28/07/703472807.db2.gz FFSYFYXGXQIOSY-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO CN(CC1CCOCC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870911535 704165742 /nfs/dbraw/zinc/16/57/42/704165742.db2.gz JSXOFHZLBXLCHS-MRXNPFEDSA-N 1 1 321.377 1.654 20 5 DDBDMO C[N@H+](C[C@@H]1COCCO1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853559930 704270363 /nfs/dbraw/zinc/27/03/63/704270363.db2.gz QDGWPCKMCWBILX-CYBMUJFWSA-N 1 1 306.322 1.249 20 5 DDBDMO C[N@@H+](C[C@@H]1COCCO1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853559930 704270365 /nfs/dbraw/zinc/27/03/65/704270365.db2.gz QDGWPCKMCWBILX-CYBMUJFWSA-N 1 1 306.322 1.249 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]4COC[C@H]4C3)c2c1 ZINC000853585906 704275944 /nfs/dbraw/zinc/27/59/44/704275944.db2.gz KVEJXANPJLIGQZ-QWHCGFSZSA-N 1 1 302.334 1.870 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000853586437 704276538 /nfs/dbraw/zinc/27/65/38/704276538.db2.gz RMQXRUCMLFGDFL-AAEUAGOBSA-N 1 1 302.334 1.870 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284599 704477247 /nfs/dbraw/zinc/47/72/47/704477247.db2.gz WDBKTWSLNQZIFM-GXTWGEPZSA-N 1 1 321.377 1.617 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000867188238 706918765 /nfs/dbraw/zinc/91/87/65/706918765.db2.gz WEFPIJJBOZJQGQ-MNOVXSKESA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858435832 704710926 /nfs/dbraw/zinc/71/09/26/704710926.db2.gz UXTFIGKDAYFTIT-CABZTGNLSA-N 1 1 305.338 1.295 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000822155885 704887057 /nfs/dbraw/zinc/88/70/57/704887057.db2.gz QTZTVJUIXNXBFT-LBPRGKRZSA-N 1 1 321.377 1.350 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000822155885 704887063 /nfs/dbraw/zinc/88/70/63/704887063.db2.gz QTZTVJUIXNXBFT-LBPRGKRZSA-N 1 1 321.377 1.350 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839962 705195544 /nfs/dbraw/zinc/19/55/44/705195544.db2.gz YOHLHBPDTOZNQS-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839962 705195545 /nfs/dbraw/zinc/19/55/45/705195545.db2.gz YOHLHBPDTOZNQS-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839962 705195548 /nfs/dbraw/zinc/19/55/48/705195548.db2.gz YOHLHBPDTOZNQS-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850727 705203455 /nfs/dbraw/zinc/20/34/55/705203455.db2.gz WFPULLZBCUORJU-HUUCEWRRSA-N 1 1 303.362 1.832 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826757503 705866591 /nfs/dbraw/zinc/86/65/91/705866591.db2.gz DKJNGCUYPKALHN-AWEZNQCLSA-N 1 1 309.366 1.476 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827269758 705965197 /nfs/dbraw/zinc/96/51/97/705965197.db2.gz ZUSKEJGTJNQOAH-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000827278211 705967168 /nfs/dbraw/zinc/96/71/68/705967168.db2.gz VDUYPHRLGNACGD-QMTHXVAHSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1ccc(C[NH2+]C2(CO)COC(C)(C)OC2)cc1[N+](=O)[O-] ZINC000878517933 706413866 /nfs/dbraw/zinc/41/38/66/706413866.db2.gz QHVUBCYFVHTYAB-UHFFFAOYSA-N 1 1 310.350 1.507 20 5 DDBDMO C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CCC1(C)C ZINC000879072098 706580031 /nfs/dbraw/zinc/58/00/31/706580031.db2.gz QUBWUGNUCQGHLG-UHFFFAOYSA-N 1 1 307.354 1.360 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134676 706887210 /nfs/dbraw/zinc/88/72/10/706887210.db2.gz OIYAJPRLQNJLJW-LSDHHAIUSA-N 1 1 318.377 1.702 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778977 707596567 /nfs/dbraw/zinc/59/65/67/707596567.db2.gz BWLWHGHHTQWBSK-RYUDHWBXSA-N 1 1 304.350 1.367 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000873396538 707836388 /nfs/dbraw/zinc/83/63/88/707836388.db2.gz RJQCBSJONUWVPF-ZDUSSCGKSA-N 1 1 324.381 1.907 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220809 708258662 /nfs/dbraw/zinc/25/86/62/708258662.db2.gz DKFGEXUUIIZGCJ-HOTGVXAUSA-N 1 1 305.378 1.939 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202725 708714214 /nfs/dbraw/zinc/71/42/14/708714214.db2.gz CKGMAGXJXYAMCP-TZMCWYRMSA-N 1 1 306.366 1.285 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202725 708714215 /nfs/dbraw/zinc/71/42/15/708714215.db2.gz CKGMAGXJXYAMCP-TZMCWYRMSA-N 1 1 306.366 1.285 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331563 710012452 /nfs/dbraw/zinc/01/24/52/710012452.db2.gz XTCOLYBPDLLWJQ-ZIBATOQPSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331563 710012454 /nfs/dbraw/zinc/01/24/54/710012454.db2.gz XTCOLYBPDLLWJQ-ZIBATOQPSA-N 1 1 307.350 1.227 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289232 713192408 /nfs/dbraw/zinc/19/24/08/713192408.db2.gz KJYHKQKYNAOAOR-OKILXGFUSA-N 1 1 307.354 1.040 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289232 713192410 /nfs/dbraw/zinc/19/24/10/713192410.db2.gz KJYHKQKYNAOAOR-OKILXGFUSA-N 1 1 307.354 1.040 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289232 713192412 /nfs/dbraw/zinc/19/24/12/713192412.db2.gz KJYHKQKYNAOAOR-OKILXGFUSA-N 1 1 307.354 1.040 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928441881 713197518 /nfs/dbraw/zinc/19/75/18/713197518.db2.gz PTMZBRMUWIOEHC-HZMBPMFUSA-N 1 1 316.361 1.827 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418026 710644785 /nfs/dbraw/zinc/64/47/85/710644785.db2.gz NZBVVBPIHICVAZ-MNOVXSKESA-N 1 1 310.350 1.902 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000928444036 713198269 /nfs/dbraw/zinc/19/82/69/713198269.db2.gz IJXRACWCVXEBRK-SKDRFNHKSA-N 1 1 311.313 1.322 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000894829878 711288733 /nfs/dbraw/zinc/28/87/33/711288733.db2.gz GZBAMAPFVROWCU-UHFFFAOYSA-N 1 1 308.334 1.921 20 5 DDBDMO CCN(OC)C(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895116634 711421002 /nfs/dbraw/zinc/42/10/02/711421002.db2.gz ZMCYNECDMUELLL-UHFFFAOYSA-N 1 1 301.730 1.748 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546381 713252777 /nfs/dbraw/zinc/25/27/77/713252777.db2.gz OMRCSBCYJJPTKK-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546381 713252778 /nfs/dbraw/zinc/25/27/78/713252778.db2.gz OMRCSBCYJJPTKK-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895246342 711464098 /nfs/dbraw/zinc/46/40/98/711464098.db2.gz NBFHJVGEASGMPJ-ZYHUDNBSSA-N 1 1 310.402 1.166 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895847776 711623967 /nfs/dbraw/zinc/62/39/67/711623967.db2.gz FCPWEMFMAVFDNS-NSHDSACASA-N 1 1 310.350 1.902 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895847776 711623969 /nfs/dbraw/zinc/62/39/69/711623969.db2.gz FCPWEMFMAVFDNS-NSHDSACASA-N 1 1 310.350 1.902 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896524082 711738219 /nfs/dbraw/zinc/73/82/19/711738219.db2.gz SBXALVRCMHCOEE-ZDUSSCGKSA-N 1 1 323.397 1.785 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580800 711758259 /nfs/dbraw/zinc/75/82/59/711758259.db2.gz IYKJTLDPURECNG-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO CC(=O)N1CC[NH+](Cc2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905330738 712004305 /nfs/dbraw/zinc/00/43/05/712004305.db2.gz QAUQFEXGHRIVOL-UHFFFAOYSA-N 1 1 306.366 1.039 20 5 DDBDMO Cc1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000913754688 713295793 /nfs/dbraw/zinc/29/57/93/713295793.db2.gz VBTMVXDEMMVSLV-MRXNPFEDSA-N 1 1 321.377 1.366 20 5 DDBDMO CCOCCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929269482 713579470 /nfs/dbraw/zinc/57/94/70/713579470.db2.gz KVUNGLNTGUOLNZ-UHFFFAOYSA-N 1 1 323.393 1.770 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000929626565 713654228 /nfs/dbraw/zinc/65/42/28/713654228.db2.gz ANRDCQWHCDNRBZ-NSHDSACASA-N 1 1 322.283 1.654 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000929626565 713654230 /nfs/dbraw/zinc/65/42/30/713654230.db2.gz ANRDCQWHCDNRBZ-NSHDSACASA-N 1 1 322.283 1.654 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931394611 714083218 /nfs/dbraw/zinc/08/32/18/714083218.db2.gz AZJYKILZQVCRPC-TXEJJXNPSA-N 1 1 304.350 1.312 20 5 DDBDMO C[NH+](C)CC1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000931482655 714108092 /nfs/dbraw/zinc/10/80/92/714108092.db2.gz KSPGEEAZOCOTMV-OAHLLOKOSA-N 1 1 323.393 1.017 20 5 DDBDMO C[NH+](C)CC1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000931482654 714108240 /nfs/dbraw/zinc/10/82/40/714108240.db2.gz KSPGEEAZOCOTMV-HNNXBMFYSA-N 1 1 323.393 1.017 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)N2CCn3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000931523421 714118710 /nfs/dbraw/zinc/11/87/10/714118710.db2.gz SLRARXUAFHOHKH-LLVKDONJSA-N 1 1 315.333 1.947 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000923303541 714304158 /nfs/dbraw/zinc/30/41/58/714304158.db2.gz GBYHULZIYXSASS-GXTWGEPZSA-N 1 1 319.361 1.669 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924990244 714718261 /nfs/dbraw/zinc/71/82/61/714718261.db2.gz UYVVSLXYMFQWSO-CHWSQXEVSA-N 1 1 321.377 1.315 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934272220 714783318 /nfs/dbraw/zinc/78/33/18/714783318.db2.gz IISXQMYKXHFQDK-HUUCEWRRSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000934838778 714914130 /nfs/dbraw/zinc/91/41/30/714914130.db2.gz OZFOKYWGXRIRGD-UONOGXRCSA-N 1 1 308.382 1.930 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000935431359 715053630 /nfs/dbraw/zinc/05/36/30/715053630.db2.gz ZTUHQBPIXHXYKB-LBPRGKRZSA-N 1 1 309.370 1.089 20 5 DDBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H](C)C[N@@H+]1C ZINC001164638882 719216505 /nfs/dbraw/zinc/21/65/05/719216505.db2.gz PSXUZRQZNFFMPY-BDAKNGLRSA-N 1 1 300.746 1.410 20 5 DDBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[C@@H](C)C[N@H+]1C ZINC001164638882 719216508 /nfs/dbraw/zinc/21/65/08/719216508.db2.gz PSXUZRQZNFFMPY-BDAKNGLRSA-N 1 1 300.746 1.410 20 5 DDBDMO Cc1ccnc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928551 721854172 /nfs/dbraw/zinc/85/41/72/721854172.db2.gz OFDFHGNKIGDNSP-UONOGXRCSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928551 721854173 /nfs/dbraw/zinc/85/41/73/721854173.db2.gz OFDFHGNKIGDNSP-UONOGXRCSA-N 1 1 319.409 1.513 20 5 DDBDMO CN(C)c1cc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001137170438 749376947 /nfs/dbraw/zinc/37/69/47/749376947.db2.gz RAEZNGSVAIUNOU-CQSZACIVSA-N 1 1 316.317 1.728 20 5 DDBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006729 762174804 /nfs/dbraw/zinc/17/48/04/762174804.db2.gz JFUJKXQMEJKKLJ-RYUDHWBXSA-N 1 1 301.387 1.888 20 5 DDBDMO O=C(c1cccs1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039581 762193441 /nfs/dbraw/zinc/19/34/41/762193441.db2.gz RCRAUJOLVYRIKH-CHWSQXEVSA-N 1 1 323.418 1.951 20 5 DDBDMO CCN1CC[C@@]2(C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025838 762203218 /nfs/dbraw/zinc/20/32/18/762203218.db2.gz ZGHNKMYSVBISMA-YXWQFLTLSA-N 1 1 309.410 1.622 20 5 DDBDMO COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054467 762210298 /nfs/dbraw/zinc/21/02/98/762210298.db2.gz MEGADDRCOXJBCA-GZBFAFLISA-N 1 1 321.377 1.989 20 5 DDBDMO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001001522564 754376522 /nfs/dbraw/zinc/37/65/22/754376522.db2.gz FOQPQVZMAILBRA-TZMCWYRMSA-N 1 1 309.341 1.605 20 5 DDBDMO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)C(=O)OCC ZINC001169932940 762758347 /nfs/dbraw/zinc/75/83/47/762758347.db2.gz FCXYPSVNZZUORZ-LLVKDONJSA-N 1 1 312.370 1.763 20 5 DDBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)C(=O)OCC ZINC001169932940 762758349 /nfs/dbraw/zinc/75/83/49/762758349.db2.gz FCXYPSVNZZUORZ-LLVKDONJSA-N 1 1 312.370 1.763 20 5 DDBDMO CC(C)=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050517661 763694229 /nfs/dbraw/zinc/69/42/29/763694229.db2.gz ZSVORLVRSMQGJC-ZIAGYGMSSA-N 1 1 307.394 1.542 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001170340099 766273835 /nfs/dbraw/zinc/27/38/35/766273835.db2.gz SFELVYGWHWZSBT-UHFFFAOYSA-N 1 1 301.306 1.777 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097056879 771610798 /nfs/dbraw/zinc/61/07/98/771610798.db2.gz NNGQLYHUSTYPQI-HDJSIYSDSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136325776 771937920 /nfs/dbraw/zinc/93/79/20/771937920.db2.gz IPUSOESMQJDWTD-JTQLQIEISA-N 1 1 317.349 1.748 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148571121 773528004 /nfs/dbraw/zinc/52/80/04/773528004.db2.gz WWYSQOLHFXLRKH-UHFFFAOYSA-N 1 1 322.409 1.533 20 5 DDBDMO CCC[N@H+](C)CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001148571121 773528007 /nfs/dbraw/zinc/52/80/07/773528007.db2.gz WWYSQOLHFXLRKH-UHFFFAOYSA-N 1 1 322.409 1.533 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001148571121 773528012 /nfs/dbraw/zinc/52/80/12/773528012.db2.gz WWYSQOLHFXLRKH-UHFFFAOYSA-N 1 1 322.409 1.533 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093642105 774940789 /nfs/dbraw/zinc/94/07/89/774940789.db2.gz KXOXNVOMBSXLIT-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC001094221789 775543407 /nfs/dbraw/zinc/54/34/07/775543407.db2.gz QZZJNCIRDCMXES-UHFFFAOYSA-N 1 1 324.356 1.746 20 5 DDBDMO C[C@@]1(O)COCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906392 776916744 /nfs/dbraw/zinc/91/67/44/776916744.db2.gz XPBWHHXHGSSTGE-RDJZCZTQSA-N 1 1 320.389 1.925 20 5 DDBDMO O=C(NCCCCCC[NH2+]C/C=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001178450196 779034509 /nfs/dbraw/zinc/03/45/09/779034509.db2.gz XBOKYXLXZLHLPF-GKKDLHFNSA-N 1 1 303.790 1.670 20 5 DDBDMO CCOc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001116129482 780476821 /nfs/dbraw/zinc/47/68/21/780476821.db2.gz YHUFUVXKSZTQOA-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1cccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266255380 835994497 /nfs/dbraw/zinc/99/44/97/835994497.db2.gz PUVORCGEQQCFDQ-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001154937617 861583791 /nfs/dbraw/zinc/58/37/91/861583791.db2.gz SMNGTCYRXIGXGM-UHFFFAOYSA-N 1 1 300.318 1.976 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425865 846786753 /nfs/dbraw/zinc/78/67/53/846786753.db2.gz SWOPVFVRPZXEAB-OAHLLOKOSA-N 1 1 318.333 1.124 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001203067138 860699482 /nfs/dbraw/zinc/69/94/82/860699482.db2.gz GTADFWIDBCUPKB-NSHDSACASA-N 1 1 321.381 1.714 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H](F)C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001142082213 861015375 /nfs/dbraw/zinc/01/53/75/861015375.db2.gz BIRIVIFRWIMOSM-ZDUSSCGKSA-N 1 1 309.341 1.687 20 5 DDBDMO CN1CCN(C(=[NH2+])Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001157916257 864259073 /nfs/dbraw/zinc/25/90/73/864259073.db2.gz QIJCAYSUVFOVBM-UHFFFAOYSA-N 1 1 315.337 1.132 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](C2CC2)C1 ZINC001330658556 864515842 /nfs/dbraw/zinc/51/58/42/864515842.db2.gz DKZOSLDVXNCRPZ-LLVKDONJSA-N 1 1 318.377 1.733 20 5 DDBDMO C[N@@H+](C1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1)[C@H]1CCOC1 ZINC001158736388 864872714 /nfs/dbraw/zinc/87/27/14/864872714.db2.gz LILPKJVGWRYNDC-JTQLQIEISA-N 1 1 317.349 1.380 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001334111555 867304115 /nfs/dbraw/zinc/30/41/15/867304115.db2.gz VQFUAHYIAXTKMY-NWDGAFQWSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1cn(C)nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001334889348 867885548 /nfs/dbraw/zinc/88/55/48/867885548.db2.gz WJCARVQHMISRGL-UHFFFAOYSA-N 1 1 304.354 1.670 20 5 DDBDMO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001162875569 867891507 /nfs/dbraw/zinc/89/15/07/867891507.db2.gz GYXFKHWRGIDVJS-ZDUSSCGKSA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001163117443 868115375 /nfs/dbraw/zinc/11/53/75/868115375.db2.gz HACDMUKFKXQNOF-GFCCVEGCSA-N 1 1 308.338 1.095 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001335769868 868526271 /nfs/dbraw/zinc/52/62/71/868526271.db2.gz DCKBRZYMSPQXKW-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO CCOc1nc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165205166 869429369 /nfs/dbraw/zinc/42/93/69/869429369.db2.gz DEPJQLUSCRCXQX-LLVKDONJSA-N 1 1 322.365 1.298 20 5 DDBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001339553462 870552428 /nfs/dbraw/zinc/55/24/28/870552428.db2.gz OKRCWAWNDRWBSE-WCQYABFASA-N 1 1 320.397 1.045 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC001300873788 870965156 /nfs/dbraw/zinc/96/51/56/870965156.db2.gz NCZBGSBASOPRTO-GFCCVEGCSA-N 1 1 306.366 1.760 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001341343883 871614963 /nfs/dbraw/zinc/61/49/63/871614963.db2.gz JFYXXXOYBVLAAJ-CFVMTHIKSA-N 1 1 318.377 1.734 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001318598010 872162184 /nfs/dbraw/zinc/16/21/84/872162184.db2.gz AUEOLIXDWKGMKM-LLVKDONJSA-N 1 1 322.365 1.087 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094967 882827535 /nfs/dbraw/zinc/82/75/35/882827535.db2.gz GQSNKWOYKRIGEO-SNVBAGLBSA-N 1 1 304.306 1.717 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001348747744 874758504 /nfs/dbraw/zinc/75/85/04/874758504.db2.gz PBKDVQJZQYUTPO-AVGNSLFASA-N 1 1 318.377 1.463 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2ccccc21 ZINC001350007589 875497480 /nfs/dbraw/zinc/49/74/80/875497480.db2.gz LIKFMPRUFPERGB-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCOC[C@@H]3C2)c2ccccc21 ZINC001350007589 875497486 /nfs/dbraw/zinc/49/74/86/875497486.db2.gz LIKFMPRUFPERGB-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001213935550 876107866 /nfs/dbraw/zinc/10/78/66/876107866.db2.gz SBLMOOUACGUZHS-LBPRGKRZSA-N 1 1 313.379 1.213 20 5 DDBDMO C[N@H+]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001213935550 876107887 /nfs/dbraw/zinc/10/78/87/876107887.db2.gz SBLMOOUACGUZHS-LBPRGKRZSA-N 1 1 313.379 1.213 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C2CCC1(CO)CC2 ZINC001351632189 876358468 /nfs/dbraw/zinc/35/84/68/876358468.db2.gz KPCHCXNJWGZCSH-UYJPIKCFSA-N 1 1 322.361 1.324 20 5 DDBDMO C[C@H](CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001353298242 877238158 /nfs/dbraw/zinc/23/81/58/877238158.db2.gz RVQGSUCOYOXWPT-OCCSQVGLSA-N 1 1 311.382 1.264 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001353614368 877452490 /nfs/dbraw/zinc/45/24/90/877452490.db2.gz YGOROHRDAAMNGG-UHFFFAOYSA-N 1 1 305.256 1.377 20 5 DDBDMO COC(=O)c1cccc(COC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223663450 881049607 /nfs/dbraw/zinc/04/96/07/881049607.db2.gz XIFFBRPJMFNWHA-GFCCVEGCSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cccc(COC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223663450 881049624 /nfs/dbraw/zinc/04/96/24/881049624.db2.gz XIFFBRPJMFNWHA-GFCCVEGCSA-N 1 1 324.333 1.229 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056030 885167653 /nfs/dbraw/zinc/16/76/53/885167653.db2.gz OVKSCHIPUSRUCO-LLVKDONJSA-N 1 1 318.333 1.638 20 5 DDBDMO O[C@H]1COCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218733 886166352 /nfs/dbraw/zinc/16/63/52/886166352.db2.gz LCVIJHJRZGHYCO-MRXNPFEDSA-N 1 1 309.369 1.976 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233702912 887237253 /nfs/dbraw/zinc/23/72/53/887237253.db2.gz RMAQMQUBVVDWGR-MCCGJVOXSA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233702912 887237265 /nfs/dbraw/zinc/23/72/65/887237265.db2.gz RMAQMQUBVVDWGR-MCCGJVOXSA-N 1 1 321.289 1.686 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234907427 888242690 /nfs/dbraw/zinc/24/26/90/888242690.db2.gz AZSPVCCSEKPBKK-SNVBAGLBSA-N 1 1 309.326 1.125 20 5 DDBDMO COC(=O)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481093 896456232 /nfs/dbraw/zinc/45/62/32/896456232.db2.gz RLHQRNWGKPLCQO-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO COC(=O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481093 896456239 /nfs/dbraw/zinc/45/62/39/896456239.db2.gz RLHQRNWGKPLCQO-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO C[C@]1(CO)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592069 896520378 /nfs/dbraw/zinc/52/03/78/896520378.db2.gz ABVXNTGSQXHNHO-OWCLPIDISA-N 1 1 306.362 1.127 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@]3(CCOC3)C1)C2 ZINC001254593218 896521984 /nfs/dbraw/zinc/52/19/84/896521984.db2.gz KAUNHDMLNPFOCF-HZPDHXFCSA-N 1 1 304.346 1.553 20 5 DDBDMO CC(=O)N[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600388 896524265 /nfs/dbraw/zinc/52/42/65/896524265.db2.gz PNCYLLMBLZESCU-GOEBONIOSA-N 1 1 303.362 1.663 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605011 896527783 /nfs/dbraw/zinc/52/77/83/896527783.db2.gz ZTGIHZHPVJIJNU-DOMZBBRYSA-N 1 1 304.346 1.947 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612473 896533086 /nfs/dbraw/zinc/53/30/86/896533086.db2.gz WTGHAYFTYDWFBV-GOEBONIOSA-N 1 1 304.346 1.947 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC001262826286 900388047 /nfs/dbraw/zinc/38/80/47/900388047.db2.gz GXWCKKDOLBDUGO-YNEHKIRRSA-N 1 1 319.361 1.673 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(NCC[N@H+]3CCCOCC3)nc2c1 ZINC000278367686 214121045 /nfs/dbraw/zinc/12/10/45/214121045.db2.gz DIFVSNWOYNYWBV-UHFFFAOYSA-N 1 1 305.338 1.605 20 5 DDBDMO COC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251520167 282201938 /nfs/dbraw/zinc/20/19/38/282201938.db2.gz CQHZVXHKBKFNJB-WFASDCNBSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000251520167 282201940 /nfs/dbraw/zinc/20/19/40/282201940.db2.gz CQHZVXHKBKFNJB-WFASDCNBSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251434516 282201011 /nfs/dbraw/zinc/20/10/11/282201011.db2.gz ASHYMNOAKIYZHY-DOMZBBRYSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251434516 282201012 /nfs/dbraw/zinc/20/10/12/282201012.db2.gz ASHYMNOAKIYZHY-DOMZBBRYSA-N 1 1 310.350 1.709 20 5 DDBDMO Cc1c(CN2CC[N@@H+](CCO)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000614920171 362076296 /nfs/dbraw/zinc/07/62/96/362076296.db2.gz GCCUDSHELJBJGY-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000181684917 199338478 /nfs/dbraw/zinc/33/84/78/199338478.db2.gz FPJCAMSMRUYDNP-NSHDSACASA-N 1 1 311.313 1.519 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000413435750 530055093 /nfs/dbraw/zinc/05/50/93/530055093.db2.gz HUUDEMWASVCBMM-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000458192870 530060371 /nfs/dbraw/zinc/06/03/71/530060371.db2.gz PHSZNIRWQYUYOC-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714357 199342605 /nfs/dbraw/zinc/34/26/05/199342605.db2.gz UZOPDBGNQQNURZ-JTQLQIEISA-N 1 1 311.313 1.377 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000181764148 199349379 /nfs/dbraw/zinc/34/93/79/199349379.db2.gz MRQHJUHRJATQIE-NEPJUHHUSA-N 1 1 312.391 1.772 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000616359383 362656867 /nfs/dbraw/zinc/65/68/67/362656867.db2.gz OZAAEVTVFLLYAU-LLVKDONJSA-N 1 1 321.377 1.983 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943837 199367079 /nfs/dbraw/zinc/36/70/79/199367079.db2.gz ILUOZQZLESQXEL-KBPBESRZSA-N 1 1 324.377 1.693 20 5 DDBDMO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272659318 210063973 /nfs/dbraw/zinc/06/39/73/210063973.db2.gz HCOPAJYLOCJWAQ-NHYWBVRUSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272659318 210063978 /nfs/dbraw/zinc/06/39/78/210063978.db2.gz HCOPAJYLOCJWAQ-NHYWBVRUSA-N 1 1 319.361 1.857 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671848 215049071 /nfs/dbraw/zinc/04/90/71/215049071.db2.gz DLYXIGJOPYGWIV-OLZOCXBDSA-N 1 1 309.366 1.382 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279881934 215202883 /nfs/dbraw/zinc/20/28/83/215202883.db2.gz UKMUDVIRCKRWFG-AWEZNQCLSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018167 215315420 /nfs/dbraw/zinc/31/54/20/215315420.db2.gz KGJLCEAQBQMINA-XJKSGUPXSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1ccc(NCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH+]c1 ZINC000172363503 198086006 /nfs/dbraw/zinc/08/60/06/198086006.db2.gz OATIAVCGPZTENC-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000015297473 352153839 /nfs/dbraw/zinc/15/38/39/352153839.db2.gz RFKMNYURCXXYLA-UHFFFAOYSA-N 1 1 321.377 1.904 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000032267688 352276485 /nfs/dbraw/zinc/27/64/85/352276485.db2.gz GOQUXCYIENCYNE-LLVKDONJSA-N 1 1 311.338 1.274 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173086626 198183619 /nfs/dbraw/zinc/18/36/19/198183619.db2.gz RJXTZXABRCHWMI-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000058848002 352853930 /nfs/dbraw/zinc/85/39/30/352853930.db2.gz ZNYHVDBGGJEXMJ-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000063810096 352925881 /nfs/dbraw/zinc/92/58/81/352925881.db2.gz HDUTYEPVCRTIJZ-CHWSQXEVSA-N 1 1 323.397 1.418 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000174018238 198281055 /nfs/dbraw/zinc/28/10/55/198281055.db2.gz IVTKVJXYKVOFNZ-INIZCTEOSA-N 1 1 305.378 1.891 20 5 DDBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000078343485 353512236 /nfs/dbraw/zinc/51/22/36/353512236.db2.gz PFJQVHWVPHHMEY-CQSZACIVSA-N 1 1 313.329 1.229 20 5 DDBDMO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000093064734 353884023 /nfs/dbraw/zinc/88/40/23/353884023.db2.gz SUAKRCKROVPJES-KBPBESRZSA-N 1 1 304.350 1.079 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093342410 353897115 /nfs/dbraw/zinc/89/71/15/353897115.db2.gz VJXIKCWAOIZXTL-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000155614999 354214443 /nfs/dbraw/zinc/21/44/43/354214443.db2.gz AOLILOUJYBPFND-UHFFFAOYSA-N 1 1 315.395 1.522 20 5 DDBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000162081079 354245551 /nfs/dbraw/zinc/24/55/51/354245551.db2.gz DNAIMNFYFSZRNM-ZDUSSCGKSA-N 1 1 324.381 1.847 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055730 354228498 /nfs/dbraw/zinc/22/84/98/354228498.db2.gz CACLFRXXZRBNNI-WCQYABFASA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055730 354228502 /nfs/dbraw/zinc/22/85/02/354228502.db2.gz CACLFRXXZRBNNI-WCQYABFASA-N 1 1 307.350 1.352 20 5 DDBDMO CN1CC[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265667624 354400988 /nfs/dbraw/zinc/40/09/88/354400988.db2.gz WBFYLAZXXKBNGD-AWEZNQCLSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000346237481 283037805 /nfs/dbraw/zinc/03/78/05/283037805.db2.gz IHJMUTXHEMGVDR-UHFFFAOYSA-N 1 1 304.310 1.172 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979633 354888681 /nfs/dbraw/zinc/88/86/81/354888681.db2.gz WYNRRSIHCGUGMJ-NSHDSACASA-N 1 1 308.382 1.447 20 5 DDBDMO CC(C)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1C ZINC000588032356 354896524 /nfs/dbraw/zinc/89/65/24/354896524.db2.gz WVWFPCXPAMNXHB-AWEZNQCLSA-N 1 1 308.382 1.446 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863021 354944539 /nfs/dbraw/zinc/94/45/39/354944539.db2.gz NYGMJSNDNLUBLN-KBPBESRZSA-N 1 1 319.361 1.184 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589498396 354996919 /nfs/dbraw/zinc/99/69/19/354996919.db2.gz UQKZMVWBDWSYCG-NSHDSACASA-N 1 1 308.334 1.850 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCCCO)c1 ZINC000589513057 354997795 /nfs/dbraw/zinc/99/77/95/354997795.db2.gz SSGQILCPZCCCCS-UHFFFAOYSA-N 1 1 310.350 1.976 20 5 DDBDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000589737696 355017468 /nfs/dbraw/zinc/01/74/68/355017468.db2.gz VTBVOQVAVBQSDQ-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000589737696 355017469 /nfs/dbraw/zinc/01/74/69/355017469.db2.gz VTBVOQVAVBQSDQ-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446552 355099258 /nfs/dbraw/zinc/09/92/58/355099258.db2.gz UJAAVCQKXDYSIK-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cscn2)c1 ZINC000591728818 355373242 /nfs/dbraw/zinc/37/32/42/355373242.db2.gz SDFSDISKNWDLCR-LBPRGKRZSA-N 1 1 309.347 1.581 20 5 DDBDMO Cn1c[nH+]c2cc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000591774189 355382543 /nfs/dbraw/zinc/38/25/43/355382543.db2.gz KBQPMELZBRTQFJ-LBPRGKRZSA-N 1 1 316.321 1.151 20 5 DDBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530715 355616220 /nfs/dbraw/zinc/61/62/20/355616220.db2.gz GILQIQUMOGUKBD-GXTWGEPZSA-N 1 1 308.334 1.259 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000592798145 355696244 /nfs/dbraw/zinc/69/62/44/355696244.db2.gz QTGYIIOYPSCZLS-IUODEOHRSA-N 1 1 305.378 1.936 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000593025314 355773372 /nfs/dbraw/zinc/77/33/72/355773372.db2.gz WRAKZXIPRSSUIV-HNNXBMFYSA-N 1 1 308.334 1.728 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593065777 355784559 /nfs/dbraw/zinc/78/45/59/355784559.db2.gz CDPHQUFCFPNGCX-VXGBXAGGSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](CO)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000593085771 355790218 /nfs/dbraw/zinc/79/02/18/355790218.db2.gz XCIYIGDTWRPSRF-LBPRGKRZSA-N 1 1 321.377 1.874 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000593415035 355878488 /nfs/dbraw/zinc/87/84/88/355878488.db2.gz JZSPNLPBBMDRCD-LLVKDONJSA-N 1 1 321.352 1.877 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199314 356137860 /nfs/dbraw/zinc/13/78/60/356137860.db2.gz JTELFQXANUVOET-QWHCGFSZSA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601337279 358504431 /nfs/dbraw/zinc/50/44/31/358504431.db2.gz AJXYNQHOSUHPTM-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595413433 356484273 /nfs/dbraw/zinc/48/42/73/356484273.db2.gz BNNJSTOAWCANTL-TVYUQYBPSA-N 1 1 314.363 1.057 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595386175 356473951 /nfs/dbraw/zinc/47/39/51/356473951.db2.gz AQLURBXUDSSGRE-UHFFFAOYSA-N 1 1 319.340 1.790 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1COCCO1 ZINC000595744938 356632272 /nfs/dbraw/zinc/63/22/72/356632272.db2.gz WJBFRGARQPGQTO-FZMZJTMJSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1COCCO1 ZINC000595744938 356632275 /nfs/dbraw/zinc/63/22/75/356632275.db2.gz WJBFRGARQPGQTO-FZMZJTMJSA-N 1 1 323.349 1.269 20 5 DDBDMO C[N@H+](CC1=CCCOC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595746966 356633714 /nfs/dbraw/zinc/63/37/14/356633714.db2.gz HKKRKBGSQHPHNN-CQSZACIVSA-N 1 1 322.361 1.613 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760043 356640787 /nfs/dbraw/zinc/64/07/87/356640787.db2.gz RWXVRWRSACDOHN-BLLLJJGKSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760043 356640790 /nfs/dbraw/zinc/64/07/90/356640790.db2.gz RWXVRWRSACDOHN-BLLLJJGKSA-N 1 1 319.361 1.810 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000595761074 356641833 /nfs/dbraw/zinc/64/18/33/356641833.db2.gz WNUKVDSDRIPXAG-CZUORRHYSA-N 1 1 320.345 1.850 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872664 356686945 /nfs/dbraw/zinc/68/69/45/356686945.db2.gz KLOYHUHEBMQXKW-MLGOLLRUSA-N 1 1 324.377 1.933 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000347432738 283213162 /nfs/dbraw/zinc/21/31/62/283213162.db2.gz PEWDFBAAETUNTN-GFCCVEGCSA-N 1 1 321.381 1.132 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596058044 356756001 /nfs/dbraw/zinc/75/60/01/356756001.db2.gz BICKTEPHYLVGCW-NSHDSACASA-N 1 1 310.354 1.464 20 5 DDBDMO CCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064900 356758586 /nfs/dbraw/zinc/75/85/86/356758586.db2.gz CFRIQBDCNDIZED-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064900 356758587 /nfs/dbraw/zinc/75/85/87/356758587.db2.gz CFRIQBDCNDIZED-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596143854 356790154 /nfs/dbraw/zinc/79/01/54/356790154.db2.gz WJUBMDGLWLXDTA-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO CCC[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000596176189 356802949 /nfs/dbraw/zinc/80/29/49/356802949.db2.gz AJURIZSYQMSJPE-LBPRGKRZSA-N 1 1 324.381 1.633 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000597859617 357361689 /nfs/dbraw/zinc/36/16/89/357361689.db2.gz WITWWHKSYVYJDB-SNVBAGLBSA-N 1 1 306.366 1.780 20 5 DDBDMO C[C@@H](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000597999831 357415264 /nfs/dbraw/zinc/41/52/64/357415264.db2.gz SFYGGBYLWJESHZ-VIFPVBQESA-N 1 1 305.338 1.541 20 5 DDBDMO Cc1nccnc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598671906 357680142 /nfs/dbraw/zinc/68/01/42/357680142.db2.gz FILJOHDJYDCDCQ-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1nccnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598671906 357680145 /nfs/dbraw/zinc/68/01/45/357680145.db2.gz FILJOHDJYDCDCQ-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1CO ZINC000598676815 357683027 /nfs/dbraw/zinc/68/30/27/357683027.db2.gz LMTMAKYFQWZUEG-DGCLKSJQSA-N 1 1 322.361 1.816 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599085290 357810495 /nfs/dbraw/zinc/81/04/95/357810495.db2.gz ORZYPVSBWGZMAV-DGCLKSJQSA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599085290 357810496 /nfs/dbraw/zinc/81/04/96/357810496.db2.gz ORZYPVSBWGZMAV-DGCLKSJQSA-N 1 1 309.366 1.321 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)n1 ZINC000599542838 357967944 /nfs/dbraw/zinc/96/79/44/357967944.db2.gz FBAUDQZHJPWQSV-CYBMUJFWSA-N 1 1 324.381 1.045 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564076 357974845 /nfs/dbraw/zinc/97/48/45/357974845.db2.gz QCSUDTGDOJMBRO-IAQYHMDHSA-N 1 1 308.334 1.920 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000599622128 357995734 /nfs/dbraw/zinc/99/57/34/357995734.db2.gz BNTNLFHTQRIRIE-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000599622128 357995735 /nfs/dbraw/zinc/99/57/35/357995735.db2.gz BNTNLFHTQRIRIE-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645694 358005158 /nfs/dbraw/zinc/00/51/58/358005158.db2.gz SWQYALJECRFMIB-PHIMTYICSA-N 1 1 320.349 1.119 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000599688683 358025861 /nfs/dbraw/zinc/02/58/61/358025861.db2.gz LLJMCMRKGCJBPJ-ZSBIGDGJSA-N 1 1 310.354 1.453 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600836792 358329175 /nfs/dbraw/zinc/32/91/75/358329175.db2.gz CFALFRGMLKDFCU-LLVKDONJSA-N 1 1 320.349 1.442 20 5 DDBDMO C[C@@H](CN1CCCC1=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601106550 358404858 /nfs/dbraw/zinc/40/48/58/358404858.db2.gz ZHOGMOKEXBNLOF-NSHDSACASA-N 1 1 314.345 1.988 20 5 DDBDMO CC(=O)N1CC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601199621 358444321 /nfs/dbraw/zinc/44/43/21/358444321.db2.gz VTFIUYWCHGXCKX-LLVKDONJSA-N 1 1 300.318 1.598 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@]3(CCO)CCOC3)c2c1 ZINC000601129184 358414595 /nfs/dbraw/zinc/41/45/95/358414595.db2.gz CRQBNAJXLKTTRB-MRXNPFEDSA-N 1 1 317.345 1.766 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602456376 358989584 /nfs/dbraw/zinc/98/95/84/358989584.db2.gz YLLWANNVJFAMGO-GFCCVEGCSA-N 1 1 323.397 1.313 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602456376 358989588 /nfs/dbraw/zinc/98/95/88/358989588.db2.gz YLLWANNVJFAMGO-GFCCVEGCSA-N 1 1 323.397 1.313 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000602786928 359191901 /nfs/dbraw/zinc/19/19/01/359191901.db2.gz ZUUQCNJJDZKQCK-OAHLLOKOSA-N 1 1 308.382 1.992 20 5 DDBDMO C[C@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602729696 359153298 /nfs/dbraw/zinc/15/32/98/359153298.db2.gz BLYSWXFOZUHBKB-GASCZTMLSA-N 1 1 303.318 1.079 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000602839807 359228511 /nfs/dbraw/zinc/22/85/11/359228511.db2.gz IVAMJXIHFUMBNX-CABCVRRESA-N 1 1 316.361 1.908 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000602801073 359201329 /nfs/dbraw/zinc/20/13/29/359201329.db2.gz LFFDODLLVLXTAS-QWHCGFSZSA-N 1 1 310.398 1.829 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000602965036 359328915 /nfs/dbraw/zinc/32/89/15/359328915.db2.gz YDDXYAJCFPXIQG-LSDHHAIUSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988339 359341273 /nfs/dbraw/zinc/34/12/73/359341273.db2.gz HOVKIEZQXPZGBM-VHSXEESVSA-N 1 1 322.287 1.202 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186847834 200020739 /nfs/dbraw/zinc/02/07/39/200020739.db2.gz AKOXCFSIXMDJPM-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000604199913 359725146 /nfs/dbraw/zinc/72/51/46/359725146.db2.gz XEGDMRAUXPPWLA-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269887 360285476 /nfs/dbraw/zinc/28/54/76/360285476.db2.gz YQHFUORAQNLHOR-CYBMUJFWSA-N 1 1 307.350 1.435 20 5 DDBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609631597 360339186 /nfs/dbraw/zinc/33/91/86/360339186.db2.gz DQTCOJWHSLLRIN-NSHDSACASA-N 1 1 307.350 1.552 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610489120 360450340 /nfs/dbraw/zinc/45/03/40/360450340.db2.gz FBZLIWUEYBVLBV-ZDUSSCGKSA-N 1 1 306.366 1.681 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000610522708 360460698 /nfs/dbraw/zinc/46/06/98/360460698.db2.gz RHCFFBOTYLBCPH-NSHDSACASA-N 1 1 304.350 1.391 20 5 DDBDMO Cc1cn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(C)[nH+]1 ZINC000611165028 360642474 /nfs/dbraw/zinc/64/24/74/360642474.db2.gz WPEGQDOVIDMTPF-UHFFFAOYSA-N 1 1 300.318 1.997 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611087678 360619066 /nfs/dbraw/zinc/61/90/66/360619066.db2.gz CEWKGZYAPWDYHL-GFCCVEGCSA-N 1 1 305.378 1.998 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611088181 360620280 /nfs/dbraw/zinc/62/02/80/360620280.db2.gz IMOJDTHWIIACRG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000611088181 360620282 /nfs/dbraw/zinc/62/02/82/360620282.db2.gz IMOJDTHWIIACRG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611147070 360636831 /nfs/dbraw/zinc/63/68/31/360636831.db2.gz UFJIKTOPYUKBQZ-ZDUSSCGKSA-N 1 1 306.366 1.531 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC(c4[nH]cc[nH+]4)CC3)nn21 ZINC000611153093 360639158 /nfs/dbraw/zinc/63/91/58/360639158.db2.gz QTJYADNRUDQBRP-UHFFFAOYSA-N 1 1 313.321 1.745 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611242446 360676209 /nfs/dbraw/zinc/67/62/09/360676209.db2.gz ABQVLQDSYRZBSF-LLVKDONJSA-N 1 1 324.406 1.575 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193633857 201092302 /nfs/dbraw/zinc/09/23/02/201092302.db2.gz JMJVIXQRGVJDHE-IAQYHMDHSA-N 1 1 321.377 1.996 20 5 DDBDMO COCC[N@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000350725020 284249647 /nfs/dbraw/zinc/24/96/47/284249647.db2.gz RLMDRKPTQQHVNP-UHFFFAOYSA-N 1 1 318.377 1.982 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264914894 204265130 /nfs/dbraw/zinc/26/51/30/204265130.db2.gz OCXKYETXTHMVET-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000266338982 205278373 /nfs/dbraw/zinc/27/83/73/205278373.db2.gz IAJOSKAXUPPWQB-LBPRGKRZSA-N 1 1 309.366 1.760 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288473205 220165160 /nfs/dbraw/zinc/16/51/60/220165160.db2.gz QNIACTBUTYEIDS-ONGXEEELSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000267558980 206144905 /nfs/dbraw/zinc/14/49/05/206144905.db2.gz CVJKRKBZXNMPQR-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267558980 206144908 /nfs/dbraw/zinc/14/49/08/206144908.db2.gz CVJKRKBZXNMPQR-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267558980 206144912 /nfs/dbraw/zinc/14/49/12/206144912.db2.gz CVJKRKBZXNMPQR-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1c(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000284471386 218040662 /nfs/dbraw/zinc/04/06/62/218040662.db2.gz AGLHBCNXDNPPAF-HZPDHXFCSA-N 1 1 305.378 1.808 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000284628437 218107208 /nfs/dbraw/zinc/10/72/08/218107208.db2.gz LPTXYUCMWIXTKZ-KBPBESRZSA-N 1 1 307.350 1.386 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[N@@H+](C)C1 ZINC000284659388 218120044 /nfs/dbraw/zinc/12/00/44/218120044.db2.gz XPVJMGXVRVDHNI-RYUDHWBXSA-N 1 1 319.365 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000285020491 218259002 /nfs/dbraw/zinc/25/90/02/218259002.db2.gz ZCFHCPNTCCCPCM-BBWFWOEESA-N 1 1 320.389 1.999 20 5 DDBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000056510307 184014523 /nfs/dbraw/zinc/01/45/23/184014523.db2.gz BJIGWUBMCGOXJP-UHFFFAOYSA-N 1 1 309.366 1.904 20 5 DDBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000056510307 184014525 /nfs/dbraw/zinc/01/45/25/184014525.db2.gz BJIGWUBMCGOXJP-UHFFFAOYSA-N 1 1 309.366 1.904 20 5 DDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413511422 533010071 /nfs/dbraw/zinc/01/00/71/533010071.db2.gz ZPPXCCZZAOLRPI-GFCCVEGCSA-N 1 1 307.350 1.444 20 5 DDBDMO CN(C(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000119954030 195069810 /nfs/dbraw/zinc/06/98/10/195069810.db2.gz VZHLSDFOJDIXPY-ZDUSSCGKSA-N 1 1 309.391 1.995 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000119954030 195069811 /nfs/dbraw/zinc/06/98/11/195069811.db2.gz VZHLSDFOJDIXPY-ZDUSSCGKSA-N 1 1 309.391 1.995 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](CCO)CC1CC1 ZINC000352459518 285064527 /nfs/dbraw/zinc/06/45/27/285064527.db2.gz ZUCQIVCFBAREPF-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000157491612 197191276 /nfs/dbraw/zinc/19/12/76/197191276.db2.gz JCQOGHNIWNISRL-UHFFFAOYSA-N 1 1 315.377 1.922 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000155376539 197049034 /nfs/dbraw/zinc/04/90/34/197049034.db2.gz LHJAFAGRUYWANG-BETUJISGSA-N 1 1 320.393 1.582 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289540719 221053547 /nfs/dbraw/zinc/05/35/47/221053547.db2.gz BQXURDDJKNKXQN-UWVGGRQHSA-N 1 1 315.333 1.153 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1[C@H]1CCCO1 ZINC000289683215 221151244 /nfs/dbraw/zinc/15/12/44/221151244.db2.gz HUCLQSZCLQRODY-HIFRSBDPSA-N 1 1 321.377 1.646 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[N@H+](CCCO)C1 ZINC000294998563 224368655 /nfs/dbraw/zinc/36/86/55/224368655.db2.gz REXBEPDGAPARAB-NSHDSACASA-N 1 1 314.773 1.902 20 5 DDBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266575924 407566212 /nfs/dbraw/zinc/56/62/12/407566212.db2.gz LWRSROHMIWCUHC-OAHLLOKOSA-N 1 1 304.350 1.593 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046132938 407055210 /nfs/dbraw/zinc/05/52/10/407055210.db2.gz WECJUHNPQVOIPM-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079670161 407060275 /nfs/dbraw/zinc/06/02/75/407060275.db2.gz JPFJZVVRNBKJRE-ZDUSSCGKSA-N 1 1 318.377 1.878 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000102183667 407320558 /nfs/dbraw/zinc/32/05/58/407320558.db2.gz JSXQKGPCMMIOJS-UHFFFAOYSA-N 1 1 313.379 1.357 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124923243 407373730 /nfs/dbraw/zinc/37/37/30/407373730.db2.gz DUJKMJLQPYTLEM-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126251838 407409412 /nfs/dbraw/zinc/40/94/12/407409412.db2.gz ROQGBYJPHYNDFM-GWCFXTLKSA-N 1 1 306.366 1.589 20 5 DDBDMO CC(C)OCCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265859546 407487817 /nfs/dbraw/zinc/48/78/17/407487817.db2.gz JVOBUDSJNDQGSW-UHFFFAOYSA-N 1 1 309.366 1.941 20 5 DDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188016 407552649 /nfs/dbraw/zinc/55/26/49/407552649.db2.gz FXFZWVBSSBXKJX-HIFRSBDPSA-N 1 1 321.377 1.819 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266550778 407554005 /nfs/dbraw/zinc/55/40/05/407554005.db2.gz UFWJVXWCDUOWMF-NSHDSACASA-N 1 1 324.333 1.477 20 5 DDBDMO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236699893 407755755 /nfs/dbraw/zinc/75/57/55/407755755.db2.gz MUBRYTPUTQFSHN-HNNXBMFYSA-N 1 1 319.365 1.964 20 5 DDBDMO NS(=O)(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242519 407762754 /nfs/dbraw/zinc/76/27/54/407762754.db2.gz CVUDQZHQQSNOEL-UHFFFAOYSA-N 1 1 313.379 1.238 20 5 DDBDMO NS(=O)(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242519 407762758 /nfs/dbraw/zinc/76/27/58/407762758.db2.gz CVUDQZHQQSNOEL-UHFFFAOYSA-N 1 1 313.379 1.238 20 5 DDBDMO CCOCC[NH+]1CCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000179587858 407810610 /nfs/dbraw/zinc/81/06/10/407810610.db2.gz KHWGHLSVHZMOFK-UHFFFAOYSA-N 1 1 311.386 1.049 20 5 DDBDMO CCN(C)C(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000153511907 407842288 /nfs/dbraw/zinc/84/22/88/407842288.db2.gz BBJXIGPASNABMT-LBPRGKRZSA-N 1 1 321.381 1.344 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118096605 407886004 /nfs/dbraw/zinc/88/60/04/407886004.db2.gz FNUWSNJSUOELMG-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272506521 407952334 /nfs/dbraw/zinc/95/23/34/407952334.db2.gz JHLUUSGATXIKIQ-CMPLNLGQSA-N 1 1 307.350 1.855 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506521 407952341 /nfs/dbraw/zinc/95/23/41/407952341.db2.gz JHLUUSGATXIKIQ-CMPLNLGQSA-N 1 1 307.350 1.855 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000245404341 407962360 /nfs/dbraw/zinc/96/23/60/407962360.db2.gz OWUCDDOSKZKTFU-TZMCWYRMSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272532695 407967415 /nfs/dbraw/zinc/96/74/15/407967415.db2.gz ISKRCRQNZQATHP-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272532695 407967424 /nfs/dbraw/zinc/96/74/24/407967424.db2.gz ISKRCRQNZQATHP-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134624403 407917711 /nfs/dbraw/zinc/91/77/11/407917711.db2.gz OVTZDWVUJZGSED-CYBMUJFWSA-N 1 1 316.361 1.829 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000153938225 407935150 /nfs/dbraw/zinc/93/51/50/407935150.db2.gz DQMUTQAIIJRNGG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000245897467 408089121 /nfs/dbraw/zinc/08/91/21/408089121.db2.gz FCPBRGCAHFHRQX-UKRRQHHQSA-N 1 1 324.377 1.693 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154825333 408091954 /nfs/dbraw/zinc/09/19/54/408091954.db2.gz OJFLDAZPXYRQNP-AAEUAGOBSA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245901340 408093360 /nfs/dbraw/zinc/09/33/60/408093360.db2.gz LFMJRECRFNCDEQ-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245901340 408093368 /nfs/dbraw/zinc/09/33/68/408093368.db2.gz LFMJRECRFNCDEQ-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000190169627 408179298 /nfs/dbraw/zinc/17/92/98/408179298.db2.gz FONRFWMXFAYBPV-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175993631 408258928 /nfs/dbraw/zinc/25/89/28/408258928.db2.gz VXXLQYZGWAYKGB-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176243171 408322846 /nfs/dbraw/zinc/32/28/46/408322846.db2.gz LEFSWTBBVJQSIH-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246557415 408290016 /nfs/dbraw/zinc/29/00/16/408290016.db2.gz WLBDONHHXDRCQM-MWLCHTKSSA-N 1 1 309.370 1.339 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889153 408360876 /nfs/dbraw/zinc/36/08/76/408360876.db2.gz IUDPJRCCILMRBC-KGLIPLIRSA-N 1 1 319.409 1.960 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000191017800 408358892 /nfs/dbraw/zinc/35/88/92/408358892.db2.gz SFTHUNTZTFFJHN-CQSZACIVSA-N 1 1 310.350 1.102 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192024 408385206 /nfs/dbraw/zinc/38/52/06/408385206.db2.gz WVPGHUACUMNUMJ-NQBHXWOUSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192024 408385211 /nfs/dbraw/zinc/38/52/11/408385211.db2.gz WVPGHUACUMNUMJ-NQBHXWOUSA-N 1 1 308.338 1.065 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000274589219 408460061 /nfs/dbraw/zinc/46/00/61/408460061.db2.gz QHCFMPRSWOUXRW-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176962911 408484989 /nfs/dbraw/zinc/48/49/89/408484989.db2.gz NNKANWZMAPSQKZ-GFCCVEGCSA-N 1 1 320.393 1.981 20 5 DDBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccccc1 ZINC000270338983 408493134 /nfs/dbraw/zinc/49/31/34/408493134.db2.gz ZBGUPNRJIBOLBA-DGCLKSJQSA-N 1 1 314.349 1.824 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177121074 408525242 /nfs/dbraw/zinc/52/52/42/408525242.db2.gz UMKKDXRQWQXLLT-ZJUUUORDSA-N 1 1 304.350 1.532 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000191714672 408474872 /nfs/dbraw/zinc/47/48/72/408474872.db2.gz AKFODJPOTGAIND-GFCCVEGCSA-N 1 1 307.350 1.736 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000192150085 408550117 /nfs/dbraw/zinc/55/01/17/408550117.db2.gz XTDHZEGWSRCGDX-CHWSQXEVSA-N 1 1 318.377 1.614 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000248406082 408560080 /nfs/dbraw/zinc/56/00/80/408560080.db2.gz SAYDBMBTINCZTD-DGCLKSJQSA-N 1 1 319.365 1.938 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265123243 408560806 /nfs/dbraw/zinc/56/08/06/408560806.db2.gz OIWASXCWHOHOOP-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000270544549 408572783 /nfs/dbraw/zinc/57/27/83/408572783.db2.gz MBWJOXNFVCFQGS-CABCVRRESA-N 1 1 317.349 1.384 20 5 DDBDMO CNC(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265186489 408573863 /nfs/dbraw/zinc/57/38/63/408573863.db2.gz GFRZAMPCXJTVIL-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000177470503 408630287 /nfs/dbraw/zinc/63/02/87/408630287.db2.gz IDTOGBIOVHPDBX-OAHLLOKOSA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000177470489 408631215 /nfs/dbraw/zinc/63/12/15/408631215.db2.gz IDTOGBIOVHPDBX-HNNXBMFYSA-N 1 1 308.334 1.988 20 5 DDBDMO CC[C@@H](CO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000275867077 408702464 /nfs/dbraw/zinc/70/24/64/408702464.db2.gz JMKGGUFHADQMEI-JSGCOSHPSA-N 1 1 304.350 1.778 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185229609 408784096 /nfs/dbraw/zinc/78/40/96/408784096.db2.gz WFRYCQKBGNPREA-UHFFFAOYSA-N 1 1 313.379 1.310 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000270942885 408751514 /nfs/dbraw/zinc/75/15/14/408751514.db2.gz RSFKXYPVNIOLCV-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000270942885 408751516 /nfs/dbraw/zinc/75/15/16/408751516.db2.gz RSFKXYPVNIOLCV-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCCO ZINC000276217062 408825753 /nfs/dbraw/zinc/82/57/53/408825753.db2.gz ANYKPGGRIALCEY-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCCO ZINC000276217062 408825754 /nfs/dbraw/zinc/82/57/54/408825754.db2.gz ANYKPGGRIALCEY-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286095778 408922808 /nfs/dbraw/zinc/92/28/08/408922808.db2.gz NJHBXOXQICRBMS-KKFJDGPESA-N 1 1 317.349 1.587 20 5 DDBDMO COc1cccc2c1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000193725524 163265814 /nfs/dbraw/zinc/26/58/14/163265814.db2.gz BUFVJERXGQKPAP-UHFFFAOYSA-N 1 1 316.361 1.901 20 5 DDBDMO CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292204848 409000476 /nfs/dbraw/zinc/00/04/76/409000476.db2.gz SPIGXFDXWXSEKC-UHFFFAOYSA-N 1 1 308.338 1.265 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCO ZINC000281927985 408955865 /nfs/dbraw/zinc/95/58/65/408955865.db2.gz SFXQUPIKCHXGHD-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCO ZINC000281927985 408955868 /nfs/dbraw/zinc/95/58/68/408955868.db2.gz SFXQUPIKCHXGHD-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293325948 409090217 /nfs/dbraw/zinc/09/02/17/409090217.db2.gz GERMDTZPVSWVJV-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293325948 409090219 /nfs/dbraw/zinc/09/02/19/409090219.db2.gz GERMDTZPVSWVJV-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293325948 409090221 /nfs/dbraw/zinc/09/02/21/409090221.db2.gz GERMDTZPVSWVJV-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293331383 409091525 /nfs/dbraw/zinc/09/15/25/409091525.db2.gz GNSGIIAPTLFDFG-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293331383 409091528 /nfs/dbraw/zinc/09/15/28/409091528.db2.gz GNSGIIAPTLFDFG-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293331383 409091530 /nfs/dbraw/zinc/09/15/30/409091530.db2.gz GNSGIIAPTLFDFG-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1nn(C)cc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278813267 409094267 /nfs/dbraw/zinc/09/42/67/409094267.db2.gz YWBDFOKGVWAUSX-UHFFFAOYSA-N 1 1 300.322 1.803 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283281164 409127860 /nfs/dbraw/zinc/12/78/60/409127860.db2.gz MBTNNCYGBIXOCD-CYBMUJFWSA-N 1 1 321.333 1.561 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283281164 409127861 /nfs/dbraw/zinc/12/78/61/409127861.db2.gz MBTNNCYGBIXOCD-CYBMUJFWSA-N 1 1 321.333 1.561 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000283337883 409140189 /nfs/dbraw/zinc/14/01/89/409140189.db2.gz PZMQCZOMCKIMGF-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000293716421 409166607 /nfs/dbraw/zinc/16/66/07/409166607.db2.gz PBBIMZAVFRBVOD-LBPRGKRZSA-N 1 1 321.381 1.124 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](C)[N@H+]1C ZINC000293987895 409220399 /nfs/dbraw/zinc/22/03/99/409220399.db2.gz NMUUNZLJSNUZGI-DTORHVGOSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](C)[N@@H+]1C ZINC000293987895 409220404 /nfs/dbraw/zinc/22/04/04/409220404.db2.gz NMUUNZLJSNUZGI-DTORHVGOSA-N 1 1 310.329 1.481 20 5 DDBDMO CN(C[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306647 409245991 /nfs/dbraw/zinc/24/59/91/409245991.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 1 1 307.394 1.524 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C(C)(C)C(N)=O ZINC000295609640 409357400 /nfs/dbraw/zinc/35/74/00/409357400.db2.gz DBNLNCLSMBHLTG-UHFFFAOYSA-N 1 1 322.365 1.428 20 5 DDBDMO C[C@@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223013 409383616 /nfs/dbraw/zinc/38/36/16/409383616.db2.gz VVKRZAWYDIXMDI-NEPJUHHUSA-N 1 1 312.366 1.426 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@H]21 ZINC000285018792 409392908 /nfs/dbraw/zinc/39/29/08/409392908.db2.gz MRVRPDUFEFIHCA-NEPJUHHUSA-N 1 1 310.329 1.225 20 5 DDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000295161156 409351962 /nfs/dbraw/zinc/35/19/62/409351962.db2.gz DVGPOEMCHDZZQZ-CQSZACIVSA-N 1 1 311.313 1.377 20 5 DDBDMO CNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000374510074 164173287 /nfs/dbraw/zinc/17/32/87/164173287.db2.gz WLSXNAQHCFNOMF-UHFFFAOYSA-N 1 1 306.366 1.161 20 5 DDBDMO CNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000374510074 164173288 /nfs/dbraw/zinc/17/32/88/164173288.db2.gz WLSXNAQHCFNOMF-UHFFFAOYSA-N 1 1 306.366 1.161 20 5 DDBDMO CNc1c(C(=O)N(C)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000354081300 409636749 /nfs/dbraw/zinc/63/67/49/409636749.db2.gz CVIOMBQOMYLJNB-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835052 409646975 /nfs/dbraw/zinc/64/69/75/409646975.db2.gz BFTQUMIKABYBSH-NWDGAFQWSA-N 1 1 323.397 1.349 20 5 DDBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349245481 409765391 /nfs/dbraw/zinc/76/53/91/409765391.db2.gz RLKKTMFBUXWDFM-CMPLNLGQSA-N 1 1 307.306 1.673 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356913440 409717682 /nfs/dbraw/zinc/71/76/82/409717682.db2.gz YFCBZMPDAHMGLU-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356913440 409717687 /nfs/dbraw/zinc/71/76/87/409717687.db2.gz YFCBZMPDAHMGLU-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412989 409828755 /nfs/dbraw/zinc/82/87/55/409828755.db2.gz ZMTAPUSKLHXABR-ZWNOBZJWSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412989 409828764 /nfs/dbraw/zinc/82/87/64/409828764.db2.gz ZMTAPUSKLHXABR-ZWNOBZJWSA-N 1 1 310.350 1.815 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354441800 409859091 /nfs/dbraw/zinc/85/90/91/409859091.db2.gz WXDPGXVXYTWESE-NWDGAFQWSA-N 1 1 309.370 1.123 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539618 410091472 /nfs/dbraw/zinc/09/14/72/410091472.db2.gz SPUCXKIPEOSMCA-NSHDSACASA-N 1 1 321.381 1.479 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339396118 410158706 /nfs/dbraw/zinc/15/87/06/410158706.db2.gz TWECKCWIRXRMQP-OLZOCXBDSA-N 1 1 311.407 1.951 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346993312 410295406 /nfs/dbraw/zinc/29/54/06/410295406.db2.gz JCAMMCCOUAYWQP-HNNXBMFYSA-N 1 1 314.345 1.989 20 5 DDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000298836162 410418043 /nfs/dbraw/zinc/41/80/43/410418043.db2.gz DHXKOOGQFMIQHK-UHFFFAOYSA-N 1 1 324.362 1.468 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000298719334 410367359 /nfs/dbraw/zinc/36/73/59/410367359.db2.gz KIHBIMCPHWAUKI-UKRRQHHQSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000355365612 410471619 /nfs/dbraw/zinc/47/16/19/410471619.db2.gz NCBGZVZXQLOIRC-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343460457 410471803 /nfs/dbraw/zinc/47/18/03/410471803.db2.gz RVBOVKYMYFVITK-OLZOCXBDSA-N 1 1 320.393 1.996 20 5 DDBDMO COC1CC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000352214146 410556251 /nfs/dbraw/zinc/55/62/51/410556251.db2.gz YGYYFUSYZRVEEK-OWYJLGKBSA-N 1 1 310.350 1.444 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000355626197 410612922 /nfs/dbraw/zinc/61/29/22/410612922.db2.gz HZJWSAKZAJGTHV-UHFFFAOYSA-N 1 1 304.306 1.574 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343802150 410711326 /nfs/dbraw/zinc/71/13/26/410711326.db2.gz SORXJRVKRHHPSW-WFASDCNBSA-N 1 1 320.393 1.919 20 5 DDBDMO C[NH+](C)CCSc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301609896 410755797 /nfs/dbraw/zinc/75/57/97/410755797.db2.gz QCEBVSVSMMDHJD-UHFFFAOYSA-N 1 1 304.393 1.652 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330647656 410847909 /nfs/dbraw/zinc/84/79/09/410847909.db2.gz ZRWQHQLOOIBENL-NWDGAFQWSA-N 1 1 307.350 1.525 20 5 DDBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679905 410872444 /nfs/dbraw/zinc/87/24/44/410872444.db2.gz YESWMKLXPYYBOU-ZYHUDNBSSA-N 1 1 309.366 1.881 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000353532578 411051631 /nfs/dbraw/zinc/05/16/31/411051631.db2.gz VMUVFXADYBMXSR-UHFFFAOYSA-N 1 1 323.349 1.387 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000331229619 411029743 /nfs/dbraw/zinc/02/97/43/411029743.db2.gz ZQVZXPGNUWEFGC-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH+]3CCC(C)CC3)n2)n1C ZINC000350924377 306759305 /nfs/dbraw/zinc/75/93/05/306759305.db2.gz KXIRVSUFQYHXAF-UHFFFAOYSA-N 1 1 320.353 1.919 20 5 DDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461926 418431929 /nfs/dbraw/zinc/43/19/29/418431929.db2.gz SIWSWKUMUOWVGP-QXSJWSMHSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461926 418431933 /nfs/dbraw/zinc/43/19/33/418431933.db2.gz SIWSWKUMUOWVGP-QXSJWSMHSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461926 418431935 /nfs/dbraw/zinc/43/19/35/418431935.db2.gz SIWSWKUMUOWVGP-QXSJWSMHSA-N 1 1 315.373 1.242 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373743604 418455750 /nfs/dbraw/zinc/45/57/50/418455750.db2.gz WYHCJROEHUIDRC-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192633687 418525598 /nfs/dbraw/zinc/52/55/98/418525598.db2.gz AQEHFZGJMMHUGP-GFCCVEGCSA-N 1 1 311.386 1.013 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367288422 418580198 /nfs/dbraw/zinc/58/01/98/418580198.db2.gz XEYYPJGDGITHAP-SNVBAGLBSA-N 1 1 319.695 1.927 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375011466 418586881 /nfs/dbraw/zinc/58/68/81/418586881.db2.gz FZGIKRQOISLMBE-KGLIPLIRSA-N 1 1 308.382 1.930 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375034705 418591992 /nfs/dbraw/zinc/59/19/92/418591992.db2.gz DDUATUHTINATFK-DZGCQCFKSA-N 1 1 305.378 2.000 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000361341062 418630330 /nfs/dbraw/zinc/63/03/30/418630330.db2.gz LVJDGOOVZDMHCI-OLZOCXBDSA-N 1 1 305.334 1.327 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000368269710 418712497 /nfs/dbraw/zinc/71/24/97/418712497.db2.gz NADPGSWZQSMRDC-GJZGRUSLSA-N 1 1 302.334 1.772 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000368064697 418682567 /nfs/dbraw/zinc/68/25/67/418682567.db2.gz QNHFRCFPTHJPCW-SMDDNHRTSA-N 1 1 305.334 1.042 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000368064696 418683154 /nfs/dbraw/zinc/68/31/54/418683154.db2.gz QNHFRCFPTHJPCW-RISCZKNCSA-N 1 1 305.334 1.042 20 5 DDBDMO COc1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])cc1O ZINC000368087328 418688495 /nfs/dbraw/zinc/68/84/95/418688495.db2.gz ARNXLSWGIZQWHH-JTQLQIEISA-N 1 1 318.333 1.679 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364457671 418777471 /nfs/dbraw/zinc/77/74/71/418777471.db2.gz ORULYDCSLJEWTM-ZIAGYGMSSA-N 1 1 307.350 1.368 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1ccnc1 ZINC000371324961 418780100 /nfs/dbraw/zinc/78/01/00/418780100.db2.gz BLOWXHVWFZAVOA-NWDGAFQWSA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1ccnc1 ZINC000371324961 418780102 /nfs/dbraw/zinc/78/01/02/418780102.db2.gz BLOWXHVWFZAVOA-NWDGAFQWSA-N 1 1 304.354 1.608 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621814 418793969 /nfs/dbraw/zinc/79/39/69/418793969.db2.gz FBMXTYVBVSNCEX-HNCHTBHHSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621814 418793971 /nfs/dbraw/zinc/79/39/71/418793971.db2.gz FBMXTYVBVSNCEX-HNCHTBHHSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621814 418793974 /nfs/dbraw/zinc/79/39/74/418793974.db2.gz FBMXTYVBVSNCEX-HNCHTBHHSA-N 1 1 309.391 1.522 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372545688 418881837 /nfs/dbraw/zinc/88/18/37/418881837.db2.gz JGUHMBNTWHZQQE-UHFFFAOYSA-N 1 1 321.421 1.916 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681242 418893415 /nfs/dbraw/zinc/89/34/15/418893415.db2.gz VYPRJWANGMBASF-OCCSQVGLSA-N 1 1 321.337 1.286 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681242 418893417 /nfs/dbraw/zinc/89/34/17/418893417.db2.gz VYPRJWANGMBASF-OCCSQVGLSA-N 1 1 321.337 1.286 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000365264495 418848176 /nfs/dbraw/zinc/84/81/76/418848176.db2.gz GIRSQDFDRBKWDR-WFASDCNBSA-N 1 1 316.361 1.714 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430314 418903652 /nfs/dbraw/zinc/90/36/52/418903652.db2.gz OALBNPRODBTTJM-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430314 418903655 /nfs/dbraw/zinc/90/36/55/418903655.db2.gz OALBNPRODBTTJM-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430314 418903658 /nfs/dbraw/zinc/90/36/58/418903658.db2.gz OALBNPRODBTTJM-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840208 418907309 /nfs/dbraw/zinc/90/73/09/418907309.db2.gz VWHYNTQPSQAING-FPMFFAJLSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840208 418907311 /nfs/dbraw/zinc/90/73/11/418907311.db2.gz VWHYNTQPSQAING-FPMFFAJLSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840208 418907312 /nfs/dbraw/zinc/90/73/12/418907312.db2.gz VWHYNTQPSQAING-FPMFFAJLSA-N 1 1 307.394 1.375 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933437 419365650 /nfs/dbraw/zinc/36/56/50/419365650.db2.gz FYGHRIPISSZYKS-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000420944539 419373511 /nfs/dbraw/zinc/37/35/11/419373511.db2.gz SIJNLJSTZADROP-CQSZACIVSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000420944539 419373517 /nfs/dbraw/zinc/37/35/17/419373517.db2.gz SIJNLJSTZADROP-CQSZACIVSA-N 1 1 310.350 1.445 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000421701626 419689423 /nfs/dbraw/zinc/68/94/23/419689423.db2.gz HZVJSHWLYFUTMT-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1 ZINC000427393465 419652942 /nfs/dbraw/zinc/65/29/42/419652942.db2.gz ZZDSLKBDXISRBV-MNOVXSKESA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1 ZINC000427393465 419652946 /nfs/dbraw/zinc/65/29/46/419652946.db2.gz ZZDSLKBDXISRBV-MNOVXSKESA-N 1 1 309.370 1.366 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988701 419958409 /nfs/dbraw/zinc/95/84/09/419958409.db2.gz ARZCVJZOSYXDDJ-VNHYZAJKSA-N 1 1 307.398 1.453 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)n1 ZINC000418994794 420041098 /nfs/dbraw/zinc/04/10/98/420041098.db2.gz IEJFYMGDEXZMRF-QWHCGFSZSA-N 1 1 308.382 1.498 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955627 420221823 /nfs/dbraw/zinc/22/18/23/420221823.db2.gz MCHQAZPYKWFYPB-DGCLKSJQSA-N 1 1 320.393 1.901 20 5 DDBDMO O=[N+]([O-])c1ccc(CN(CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000420363564 420239520 /nfs/dbraw/zinc/23/95/20/420239520.db2.gz PLSSHWIZMFWVEK-UHFFFAOYSA-N 1 1 304.394 1.464 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430946075 420218733 /nfs/dbraw/zinc/21/87/33/420218733.db2.gz YYXIOKUZANYTAX-GXTWGEPZSA-N 1 1 320.393 1.901 20 5 DDBDMO CC[C@](C)(C(=O)OC)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000425513150 420405677 /nfs/dbraw/zinc/40/56/77/420405677.db2.gz OJKCMTMFWWXJOJ-OAHLLOKOSA-N 1 1 324.381 1.845 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000457094617 420609640 /nfs/dbraw/zinc/60/96/40/420609640.db2.gz OUNWPHHDRXKANG-JTQLQIEISA-N 1 1 307.354 1.127 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000493359145 420828876 /nfs/dbraw/zinc/82/88/76/420828876.db2.gz QXIXAYAQGZHVCI-NEPJUHHUSA-N 1 1 321.333 1.534 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000525291586 421285553 /nfs/dbraw/zinc/28/55/53/421285553.db2.gz KMTVASBYQLHLIX-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000548420030 421435351 /nfs/dbraw/zinc/43/53/51/421435351.db2.gz BBWWAFPKCVDOEV-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO Cc1cccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000548717867 421465960 /nfs/dbraw/zinc/46/59/60/421465960.db2.gz YTEBOPVBMAOLIB-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000563363914 421493657 /nfs/dbraw/zinc/49/36/57/421493657.db2.gz NABPMAOJBBGZCZ-GFCCVEGCSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000549725828 421506278 /nfs/dbraw/zinc/50/62/78/421506278.db2.gz HVULLFFSPCJQHP-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000549725828 421506280 /nfs/dbraw/zinc/50/62/80/421506280.db2.gz HVULLFFSPCJQHP-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000551892048 421550247 /nfs/dbraw/zinc/55/02/47/421550247.db2.gz BTGPGJFKHKATMS-SECBINFHSA-N 1 1 303.322 1.039 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000533831720 421683236 /nfs/dbraw/zinc/68/32/36/421683236.db2.gz UDVWNTSYUHTQKS-AWEZNQCLSA-N 1 1 300.318 1.839 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000533831720 421683237 /nfs/dbraw/zinc/68/32/37/421683237.db2.gz UDVWNTSYUHTQKS-AWEZNQCLSA-N 1 1 300.318 1.839 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000522188789 421818963 /nfs/dbraw/zinc/81/89/63/421818963.db2.gz IPOGNXAPVPBNEK-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1nccc(C(N)=O)c1[N+](=O)[O-])CC2 ZINC000573890020 422032819 /nfs/dbraw/zinc/03/28/19/422032819.db2.gz ATHILNXILFRXSX-UHFFFAOYSA-N 1 1 319.365 1.153 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591227 422351777 /nfs/dbraw/zinc/35/17/77/422351777.db2.gz IHRIXKCGSOYKKG-UPJWGTAASA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591227 422351781 /nfs/dbraw/zinc/35/17/81/422351781.db2.gz IHRIXKCGSOYKKG-UPJWGTAASA-N 1 1 308.382 2.208 20 5 DDBDMO C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344414493 272019761 /nfs/dbraw/zinc/01/97/61/272019761.db2.gz AVDLWQIOGHIUDB-GXFFZTMASA-N 1 1 320.349 1.132 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344416435 272020818 /nfs/dbraw/zinc/02/08/18/272020818.db2.gz JDYZOXRTRCPRKI-CYBMUJFWSA-N 1 1 307.398 1.675 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000344738696 272105514 /nfs/dbraw/zinc/10/55/14/272105514.db2.gz ZSXYMHLSRLKIHT-LBPRGKRZSA-N 1 1 323.397 1.661 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000281367901 274267764 /nfs/dbraw/zinc/26/77/64/274267764.db2.gz OICSYSOMQITISU-LLVKDONJSA-N 1 1 319.365 1.364 20 5 DDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc(N)cc1[N+](=O)[O-] ZINC000291240365 289048658 /nfs/dbraw/zinc/04/86/58/289048658.db2.gz XJKQDEJMKVBYDD-DGCLKSJQSA-N 1 1 306.366 1.476 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363103381 300211183 /nfs/dbraw/zinc/21/11/83/300211183.db2.gz HVEBEGFFEYNWLO-KBPBESRZSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364082710 300342046 /nfs/dbraw/zinc/34/20/46/300342046.db2.gz JVISESNRMSOMRT-CHWSQXEVSA-N 1 1 318.377 1.750 20 5 DDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367288881 300823309 /nfs/dbraw/zinc/82/33/09/300823309.db2.gz ZOFNJOLSUALAAQ-LBPRGKRZSA-N 1 1 313.304 1.836 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368587932 301059149 /nfs/dbraw/zinc/05/91/49/301059149.db2.gz BUQQVMYWXKYPHJ-OCCSQVGLSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000369709209 301214964 /nfs/dbraw/zinc/21/49/64/301214964.db2.gz CHJBGEOSVBZVHU-RBSFLKMASA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000369709209 301214966 /nfs/dbraw/zinc/21/49/66/301214966.db2.gz CHJBGEOSVBZVHU-RBSFLKMASA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000369709209 301214969 /nfs/dbraw/zinc/21/49/69/301214969.db2.gz CHJBGEOSVBZVHU-RBSFLKMASA-N 1 1 303.362 1.385 20 5 DDBDMO Cc1nc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370025408 301260816 /nfs/dbraw/zinc/26/08/16/301260816.db2.gz DTPGOMHDMKNGCQ-LLVKDONJSA-N 1 1 306.326 1.362 20 5 DDBDMO Cc1nc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370025408 301260817 /nfs/dbraw/zinc/26/08/17/301260817.db2.gz DTPGOMHDMKNGCQ-LLVKDONJSA-N 1 1 306.326 1.362 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370083098 301272537 /nfs/dbraw/zinc/27/25/37/301272537.db2.gz PLMWZWPMACITSL-MRXNPFEDSA-N 1 1 322.361 1.829 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1C[N@H+](C)CCN1C ZINC000531970541 303268312 /nfs/dbraw/zinc/26/83/12/303268312.db2.gz CRTUHCUNKJGXHM-UKRRQHHQSA-N 1 1 306.410 1.800 20 5 DDBDMO COC(C)(C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533344765 303316148 /nfs/dbraw/zinc/31/61/48/303316148.db2.gz GWHCNSOISMBARQ-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO COC(C)(C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533344765 303316150 /nfs/dbraw/zinc/31/61/50/303316150.db2.gz GWHCNSOISMBARQ-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000533475138 303318913 /nfs/dbraw/zinc/31/89/13/303318913.db2.gz RJFROIWPCLSTSY-UHFFFAOYSA-N 1 1 303.322 1.657 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073543 307012818 /nfs/dbraw/zinc/01/28/18/307012818.db2.gz XNAXAFUMIYSNRX-VXGBXAGGSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073543 307012819 /nfs/dbraw/zinc/01/28/19/307012819.db2.gz XNAXAFUMIYSNRX-VXGBXAGGSA-N 1 1 307.350 1.402 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364443154 307045604 /nfs/dbraw/zinc/04/56/04/307045604.db2.gz HVOZVJCTUQGROG-UHFFFAOYSA-N 1 1 306.366 1.735 20 5 DDBDMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000364485934 307046433 /nfs/dbraw/zinc/04/64/33/307046433.db2.gz SKMBJLXENRHXNE-SOUVJXGZSA-N 1 1 309.410 1.622 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366117964 307068324 /nfs/dbraw/zinc/06/83/24/307068324.db2.gz GQLBEYOIFDGWQS-GFCCVEGCSA-N 1 1 322.390 1.253 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366304616 307070406 /nfs/dbraw/zinc/07/04/06/307070406.db2.gz ANBYSSWQTDZQJO-ZKYQVNSYSA-N 1 1 317.345 1.559 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000366584303 307076816 /nfs/dbraw/zinc/07/68/16/307076816.db2.gz FIBVPLVQBQOHHL-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000366584303 307076817 /nfs/dbraw/zinc/07/68/17/307076817.db2.gz FIBVPLVQBQOHHL-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375962493 307236160 /nfs/dbraw/zinc/23/61/60/307236160.db2.gz OITWEWJVHKYBFR-OAHLLOKOSA-N 1 1 320.324 1.524 20 5 DDBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375976406 307237331 /nfs/dbraw/zinc/23/73/31/307237331.db2.gz PAMCZJSOBSAGQH-CQSZACIVSA-N 1 1 317.349 1.648 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000450925299 307306405 /nfs/dbraw/zinc/30/64/05/307306405.db2.gz XYKLHDZOKVNLHH-UHFFFAOYSA-N 1 1 310.402 1.156 20 5 DDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552341638 307820489 /nfs/dbraw/zinc/82/04/89/307820489.db2.gz QYGWVYCRYFYMFO-SNVBAGLBSA-N 1 1 318.337 1.382 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000567345833 308078369 /nfs/dbraw/zinc/07/83/69/308078369.db2.gz VTVMCALZTVGXPL-IPYPFGDCSA-N 1 1 323.393 1.407 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451646421 534320077 /nfs/dbraw/zinc/32/00/77/534320077.db2.gz FKBCFBVPJHNJAB-ZDUSSCGKSA-N 1 1 309.391 1.584 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444622894 534354773 /nfs/dbraw/zinc/35/47/73/534354773.db2.gz WUBJQYXNGXRTFS-SNVBAGLBSA-N 1 1 317.349 1.701 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444622894 534354779 /nfs/dbraw/zinc/35/47/79/534354779.db2.gz WUBJQYXNGXRTFS-SNVBAGLBSA-N 1 1 317.349 1.701 20 5 DDBDMO O=C1CCCN1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075470406 696420779 /nfs/dbraw/zinc/42/07/79/696420779.db2.gz GXZJWDAESWDMCR-UHFFFAOYSA-N 1 1 318.377 1.339 20 5 DDBDMO CO[C@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000076266131 696427930 /nfs/dbraw/zinc/42/79/30/696427930.db2.gz SVPXZHLDSJJUMN-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CO[C@H]1CCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000076266131 696427931 /nfs/dbraw/zinc/42/79/31/696427931.db2.gz SVPXZHLDSJJUMN-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983653096 697286723 /nfs/dbraw/zinc/28/67/23/697286723.db2.gz GRIOEBTZUZOQOY-NMFUWQPSSA-N 1 1 318.377 1.040 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000160149874 697315332 /nfs/dbraw/zinc/31/53/32/697315332.db2.gz NLDSOTIFUFXVQC-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO C[NH+]1CCC(ONC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000773552411 697779214 /nfs/dbraw/zinc/77/92/14/697779214.db2.gz OWZITKIWQOKTDF-UHFFFAOYSA-N 1 1 319.321 1.227 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000776593482 698124226 /nfs/dbraw/zinc/12/42/26/698124226.db2.gz JVTARQUHJAORIA-JKSUJKDBSA-N 1 1 321.377 1.035 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c2nonc21 ZINC000777801584 698223285 /nfs/dbraw/zinc/22/32/85/698223285.db2.gz HHDDOICTXJGPQW-QMMMGPOBSA-N 1 1 300.278 1.754 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730733781 699514796 /nfs/dbraw/zinc/51/47/96/699514796.db2.gz OBFJHKYNSULUQM-LBPRGKRZSA-N 1 1 324.406 1.602 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588970 699642238 /nfs/dbraw/zinc/64/22/38/699642238.db2.gz GZRZZILHJDSDEE-VBNZEHGJSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588970 699642239 /nfs/dbraw/zinc/64/22/39/699642239.db2.gz GZRZZILHJDSDEE-VBNZEHGJSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742197695 699866042 /nfs/dbraw/zinc/86/60/42/699866042.db2.gz YBXJLCMDJUVXDY-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742197695 699866044 /nfs/dbraw/zinc/86/60/44/699866044.db2.gz YBXJLCMDJUVXDY-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000742238919 699868936 /nfs/dbraw/zinc/86/89/36/699868936.db2.gz IQOPKKSCNFFZNH-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO CCc1[nH]nc(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000795612231 699878787 /nfs/dbraw/zinc/87/87/87/699878787.db2.gz OVDZVBLOXMOURT-SNVBAGLBSA-N 1 1 310.354 1.912 20 5 DDBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761075297 700839845 /nfs/dbraw/zinc/83/98/45/700839845.db2.gz DODGVOIISCJACE-GFCCVEGCSA-N 1 1 309.366 1.618 20 5 DDBDMO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000761078335 700840807 /nfs/dbraw/zinc/84/08/07/700840807.db2.gz BOPKJHNCSHYIBW-SWLSCSKDSA-N 1 1 318.377 1.336 20 5 DDBDMO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000761078335 700840810 /nfs/dbraw/zinc/84/08/10/700840810.db2.gz BOPKJHNCSHYIBW-SWLSCSKDSA-N 1 1 318.377 1.336 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287772 700854583 /nfs/dbraw/zinc/85/45/83/700854583.db2.gz DZHJGXANIJJJND-LLVKDONJSA-N 1 1 318.333 1.705 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287772 700854585 /nfs/dbraw/zinc/85/45/85/700854585.db2.gz DZHJGXANIJJJND-LLVKDONJSA-N 1 1 318.333 1.705 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766974451 701076035 /nfs/dbraw/zinc/07/60/35/701076035.db2.gz KMKMJPNGKDSIPO-UHFFFAOYSA-N 1 1 306.326 1.078 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000770474585 701279473 /nfs/dbraw/zinc/27/94/73/701279473.db2.gz BOTKENIWKLUAQB-WDEREUQCSA-N 1 1 305.338 1.374 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000770474585 701279474 /nfs/dbraw/zinc/27/94/74/701279474.db2.gz BOTKENIWKLUAQB-WDEREUQCSA-N 1 1 305.338 1.374 20 5 DDBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576035 701898218 /nfs/dbraw/zinc/89/82/18/701898218.db2.gz HKIVUIJNQFUYRK-UBHSHLNASA-N 1 1 320.393 1.691 20 5 DDBDMO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576035 701898227 /nfs/dbraw/zinc/89/82/27/701898227.db2.gz HKIVUIJNQFUYRK-UBHSHLNASA-N 1 1 320.393 1.691 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000831175133 706650067 /nfs/dbraw/zinc/65/00/67/706650067.db2.gz FVKYSZQPRMFPJK-DGCLKSJQSA-N 1 1 302.277 1.330 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c(Cl)c1 ZINC000840965374 702296103 /nfs/dbraw/zinc/29/61/03/702296103.db2.gz FGJLSOZVBXYSPN-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000817374759 702361566 /nfs/dbraw/zinc/36/15/66/702361566.db2.gz VKXVOCPPFBBPFI-LBPRGKRZSA-N 1 1 320.349 1.486 20 5 DDBDMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000817677555 702448195 /nfs/dbraw/zinc/44/81/95/702448195.db2.gz XYAUDSJEAVRPAH-NSHDSACASA-N 1 1 306.366 1.652 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679649 702448909 /nfs/dbraw/zinc/44/89/09/702448909.db2.gz VENUOKWZJGOQBL-ZIAGYGMSSA-N 1 1 307.350 1.181 20 5 DDBDMO O=[N+]([O-])c1ccc(Cc2noc(C[NH2+]C[C@@H]3CCCO3)n2)nc1 ZINC000843192703 702838349 /nfs/dbraw/zinc/83/83/49/702838349.db2.gz XHOQPPBCYKAWFJ-LBPRGKRZSA-N 1 1 319.321 1.232 20 5 DDBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000879711141 706767286 /nfs/dbraw/zinc/76/72/86/706767286.db2.gz BCXKBDKMGDZNBR-UHFFFAOYSA-N 1 1 312.370 1.227 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412704 704038014 /nfs/dbraw/zinc/03/80/14/704038014.db2.gz YDVZQMQTBDHKNW-GJZGRUSLSA-N 1 1 310.350 1.102 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852569331 704076987 /nfs/dbraw/zinc/07/69/87/704076987.db2.gz NJJDAAWLYLGWCZ-CYBMUJFWSA-N 1 1 311.338 1.258 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717202 704163439 /nfs/dbraw/zinc/16/34/39/704163439.db2.gz DLLBHNNWHKXCCQ-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO CO[C@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513385 704255661 /nfs/dbraw/zinc/25/56/61/704255661.db2.gz ZFMHMJVKGIFFOX-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513385 704255663 /nfs/dbraw/zinc/25/56/63/704255663.db2.gz ZFMHMJVKGIFFOX-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000853799555 704317200 /nfs/dbraw/zinc/31/72/00/704317200.db2.gz MGYRYBZROIGGRQ-NEPJUHHUSA-N 1 1 319.365 1.764 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000853799555 704317203 /nfs/dbraw/zinc/31/72/03/704317203.db2.gz MGYRYBZROIGGRQ-NEPJUHHUSA-N 1 1 319.365 1.764 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874848149 705201594 /nfs/dbraw/zinc/20/15/94/705201594.db2.gz RUWYMZWEGNRLQP-KGLIPLIRSA-N 1 1 304.350 1.607 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000823469102 705250235 /nfs/dbraw/zinc/25/02/35/705250235.db2.gz OQPLJUWJXPHQFP-LSDHHAIUSA-N 1 1 317.349 1.557 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825336864 705649154 /nfs/dbraw/zinc/64/91/54/705649154.db2.gz ADUCSIAUWATCGN-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO Cc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000825648582 705708962 /nfs/dbraw/zinc/70/89/62/705708962.db2.gz UYDVGOFQVUIFSW-CYBMUJFWSA-N 1 1 320.393 1.155 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970057 705752928 /nfs/dbraw/zinc/75/29/28/705752928.db2.gz USNJYLOMLVRRAR-DOMZBBRYSA-N 1 1 321.377 1.428 20 5 DDBDMO CN(CC(F)F)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000876776155 705871965 /nfs/dbraw/zinc/87/19/65/705871965.db2.gz KMVYAHVNENBZKX-UHFFFAOYSA-N 1 1 317.340 1.490 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000863327585 705903241 /nfs/dbraw/zinc/90/32/41/705903241.db2.gz OQKKQSKOXUMNAX-SNVBAGLBSA-N 1 1 313.741 1.045 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863945228 706042891 /nfs/dbraw/zinc/04/28/91/706042891.db2.gz YLDRXHHQYYYJMG-JTQLQIEISA-N 1 1 313.741 1.045 20 5 DDBDMO CC(C)[N@@H+](CCc1nnnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000877993069 706259921 /nfs/dbraw/zinc/25/99/21/706259921.db2.gz WRARRPAVKWMWTP-UHFFFAOYSA-N 1 1 304.354 1.571 20 5 DDBDMO C[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000878317612 706356654 /nfs/dbraw/zinc/35/66/54/706356654.db2.gz RXYOXFPOZPTTOU-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000878317612 706356658 /nfs/dbraw/zinc/35/66/58/706356658.db2.gz RXYOXFPOZPTTOU-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880070661 706870336 /nfs/dbraw/zinc/87/03/36/706870336.db2.gz JHAUWQQTFOXKCO-UONOGXRCSA-N 1 1 321.377 1.115 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867475953 707012956 /nfs/dbraw/zinc/01/29/56/707012956.db2.gz NUMBGGGJMYZCAF-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873296977 707802124 /nfs/dbraw/zinc/80/21/24/707802124.db2.gz ORDBLJNXCCSDEL-JKOKRWQUSA-N 1 1 307.350 1.539 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC000897221941 708259500 /nfs/dbraw/zinc/25/95/00/708259500.db2.gz QOMCJTZXKNQCEC-QWHCGFSZSA-N 1 1 306.366 1.334 20 5 DDBDMO CC(C)OCC[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886027723 708684044 /nfs/dbraw/zinc/68/40/44/708684044.db2.gz HWNNUCUNMQPQMH-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO O=C1NCCCN1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886081854 708694530 /nfs/dbraw/zinc/69/45/30/708694530.db2.gz ZOJPNEOSJUEFMC-UHFFFAOYSA-N 1 1 319.365 1.370 20 5 DDBDMO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899873399 709223702 /nfs/dbraw/zinc/22/37/02/709223702.db2.gz NZTHPRYUFJYIFA-UHFFFAOYSA-N 1 1 315.395 1.082 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900159757 709310861 /nfs/dbraw/zinc/31/08/61/709310861.db2.gz PVFIATGNZBNBEY-SWLSCSKDSA-N 1 1 307.350 1.008 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000890080226 709739035 /nfs/dbraw/zinc/73/90/35/709739035.db2.gz ZJACOTZZZAVULN-UHFFFAOYSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095971 713161906 /nfs/dbraw/zinc/16/19/06/713161906.db2.gz ACVRCHDLJXGUKT-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095971 713161907 /nfs/dbraw/zinc/16/19/07/713161907.db2.gz ACVRCHDLJXGUKT-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095971 713161908 /nfs/dbraw/zinc/16/19/08/713161908.db2.gz ACVRCHDLJXGUKT-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO CN1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770309 711601333 /nfs/dbraw/zinc/60/13/33/711601333.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 1 1 320.397 1.222 20 5 DDBDMO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895776591 711604171 /nfs/dbraw/zinc/60/41/71/711604171.db2.gz KNLBFGQWGJWFEQ-GFCCVEGCSA-N 1 1 306.366 1.849 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906065317 712235169 /nfs/dbraw/zinc/23/51/69/712235169.db2.gz TUKZSQXYQVZTPS-UHFFFAOYSA-N 1 1 320.393 1.047 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929411493 713605039 /nfs/dbraw/zinc/60/50/39/713605039.db2.gz JXVFFXMCIUJKHD-OAHLLOKOSA-N 1 1 320.393 1.996 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930353097 713811984 /nfs/dbraw/zinc/81/19/84/713811984.db2.gz HFWIBODEMPHSNK-BPUTZDHNSA-N 1 1 306.362 1.873 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311822 714062704 /nfs/dbraw/zinc/06/27/04/714062704.db2.gz PPYRQDFKJMZAMU-YESZJQIVSA-N 1 1 319.405 1.902 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000923330840 714317186 /nfs/dbraw/zinc/31/71/86/714317186.db2.gz CJSDOWYUUOJWJF-DTZQCDIJSA-N 1 1 305.378 1.687 20 5 DDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000923335928 714319524 /nfs/dbraw/zinc/31/95/24/714319524.db2.gz SGXPIPUFIDIMDB-UONOGXRCSA-N 1 1 323.393 1.408 20 5 DDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000923335925 714319693 /nfs/dbraw/zinc/31/96/93/714319693.db2.gz SGXPIPUFIDIMDB-KBPBESRZSA-N 1 1 323.393 1.408 20 5 DDBDMO O=[N+]([O-])c1cccc(CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923369619 714330506 /nfs/dbraw/zinc/33/05/06/714330506.db2.gz LSDPJGXOWKBUFW-INIZCTEOSA-N 1 1 317.389 1.938 20 5 DDBDMO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923386842 714337300 /nfs/dbraw/zinc/33/73/00/714337300.db2.gz KGYCYAZVJKMENV-BPUTZDHNSA-N 1 1 305.378 1.689 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000933226547 714541807 /nfs/dbraw/zinc/54/18/07/714541807.db2.gz JMFNDMSMCYKMTC-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000933226547 714541809 /nfs/dbraw/zinc/54/18/09/714541809.db2.gz JMFNDMSMCYKMTC-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000933869189 714688497 /nfs/dbraw/zinc/68/84/97/714688497.db2.gz PKBKHMFHYYYMQL-UHFFFAOYSA-N 1 1 323.349 1.419 20 5 DDBDMO C/C(=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982131 714714960 /nfs/dbraw/zinc/71/49/60/714714960.db2.gz OPLBNAWKSQZRGY-XSNQJSSTSA-N 1 1 319.361 1.179 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924990256 714718460 /nfs/dbraw/zinc/71/84/60/714718460.db2.gz UYVVSLXYMFQWSO-QWHCGFSZSA-N 1 1 321.377 1.315 20 5 DDBDMO Cc1c(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257980 714777783 /nfs/dbraw/zinc/77/77/83/714777783.db2.gz KSAIBTGNYBTRMG-IRXDYDNUSA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257980 714777784 /nfs/dbraw/zinc/77/77/84/714777784.db2.gz KSAIBTGNYBTRMG-IRXDYDNUSA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257980 714777785 /nfs/dbraw/zinc/77/77/85/714777785.db2.gz KSAIBTGNYBTRMG-IRXDYDNUSA-N 1 1 319.405 1.934 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570369 714854189 /nfs/dbraw/zinc/85/41/89/714854189.db2.gz DXABTQLKKXUEBN-ZWNOBZJWSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H](O)[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570369 714854191 /nfs/dbraw/zinc/85/41/91/714854191.db2.gz DXABTQLKKXUEBN-ZWNOBZJWSA-N 1 1 311.313 1.328 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164631363 719254283 /nfs/dbraw/zinc/25/42/83/719254283.db2.gz DODQEMVSIJWTFV-DTWKUNHWSA-N 1 1 322.369 1.180 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164631363 719254285 /nfs/dbraw/zinc/25/42/85/719254285.db2.gz DODQEMVSIJWTFV-DTWKUNHWSA-N 1 1 322.369 1.180 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140113 736999314 /nfs/dbraw/zinc/99/93/14/736999314.db2.gz ZFPSHOSHBVIVQW-KBUPBQIOSA-N 1 1 307.394 1.779 20 5 DDBDMO C[C@@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246692 740129858 /nfs/dbraw/zinc/12/98/58/740129858.db2.gz LBZJLXMFZLQIGH-DGFSRKRXSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134283 743704957 /nfs/dbraw/zinc/70/49/57/743704957.db2.gz GUQDOYDNBAQSQB-YPMHNXCESA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134283 743704960 /nfs/dbraw/zinc/70/49/60/743704960.db2.gz GUQDOYDNBAQSQB-YPMHNXCESA-N 1 1 300.742 1.566 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001031511135 746923291 /nfs/dbraw/zinc/92/32/91/746923291.db2.gz WVONHQBNCWLOLK-UHFFFAOYSA-N 1 1 303.362 1.943 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001200472495 748265119 /nfs/dbraw/zinc/26/51/19/748265119.db2.gz PNANYOXMTLJYMC-NXEZZACHSA-N 1 1 322.192 1.551 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023824 762201939 /nfs/dbraw/zinc/20/19/39/762201939.db2.gz FLWKVSDPPWPYRE-YHUYYLMFSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023824 762201943 /nfs/dbraw/zinc/20/19/43/762201943.db2.gz FLWKVSDPPWPYRE-YHUYYLMFSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023824 762201947 /nfs/dbraw/zinc/20/19/47/762201947.db2.gz FLWKVSDPPWPYRE-YHUYYLMFSA-N 1 1 309.410 1.227 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097212359 756981551 /nfs/dbraw/zinc/98/15/51/756981551.db2.gz ROJYNRAGWMRGRV-TXEJJXNPSA-N 1 1 321.381 1.391 20 5 DDBDMO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020139543 760614108 /nfs/dbraw/zinc/61/41/08/760614108.db2.gz DRJFMGCLRCNGMC-KLHDSHLOSA-N 1 1 317.389 1.651 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170346446 766277124 /nfs/dbraw/zinc/27/71/24/766277124.db2.gz NOIUMFORBYBZMH-GFCCVEGCSA-N 1 1 321.377 1.699 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170346446 766277129 /nfs/dbraw/zinc/27/71/29/766277129.db2.gz NOIUMFORBYBZMH-GFCCVEGCSA-N 1 1 321.377 1.699 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001135505166 771539515 /nfs/dbraw/zinc/53/95/15/771539515.db2.gz ZDGPXCNKULJCIK-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO Cc1cnc(NCCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001093674083 774989452 /nfs/dbraw/zinc/98/94/52/774989452.db2.gz NMSNINFGSYFVNA-UHFFFAOYSA-N 1 1 309.370 1.167 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094517016 775973498 /nfs/dbraw/zinc/97/34/98/775973498.db2.gz AZMZMOFVQORXAA-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231936 777063965 /nfs/dbraw/zinc/06/39/65/777063965.db2.gz PAVWENMSIMTQIQ-IUODEOHRSA-N 1 1 322.361 1.790 20 5 DDBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C/C=C\CO ZINC001179122375 779288532 /nfs/dbraw/zinc/28/85/32/779288532.db2.gz AFHDZCXFBREBOH-UPHRSURJSA-N 1 1 301.140 1.995 20 5 DDBDMO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O ZINC000697622141 779668751 /nfs/dbraw/zinc/66/87/51/779668751.db2.gz VIHYXOFQLLFZKV-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO C[NH+]1CC(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001142599053 861192595 /nfs/dbraw/zinc/19/25/95/861192595.db2.gz MVDXWLZHLAFOPC-UHFFFAOYSA-N 1 1 307.353 1.890 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001149204105 861486528 /nfs/dbraw/zinc/48/65/28/861486528.db2.gz FRNWANJAEDXYKS-UHFFFAOYSA-N 1 1 320.349 1.072 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030319 862037802 /nfs/dbraw/zinc/03/78/02/862037802.db2.gz LHNSTEVKAGJJNX-PWSUYJOCSA-N 1 1 320.349 1.252 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCC(F)(F)F)C2 ZINC001072725831 857641940 /nfs/dbraw/zinc/64/19/40/857641940.db2.gz SBVFLBKDPCWZAS-NXEZZACHSA-N 1 1 321.299 1.138 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCC(F)(F)F)C2 ZINC001072725831 857641944 /nfs/dbraw/zinc/64/19/44/857641944.db2.gz SBVFLBKDPCWZAS-NXEZZACHSA-N 1 1 321.299 1.138 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCC(F)(F)F)C2 ZINC001072725831 857641947 /nfs/dbraw/zinc/64/19/47/857641947.db2.gz SBVFLBKDPCWZAS-NXEZZACHSA-N 1 1 321.299 1.138 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001328498508 863009326 /nfs/dbraw/zinc/00/93/26/863009326.db2.gz CFNDFCMMUODFCL-LLVKDONJSA-N 1 1 306.366 1.700 20 5 DDBDMO Nc1c(Cl)cc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC001156480235 863085959 /nfs/dbraw/zinc/08/59/59/863085959.db2.gz XPEBFGOXVDGMIH-UHFFFAOYSA-N 1 1 324.768 1.822 20 5 DDBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001331097077 864852313 /nfs/dbraw/zinc/85/23/13/864852313.db2.gz DOMPHTWDTMLJAU-JTQLQIEISA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001331097077 864852323 /nfs/dbraw/zinc/85/23/23/864852323.db2.gz DOMPHTWDTMLJAU-JTQLQIEISA-N 1 1 304.306 1.866 20 5 DDBDMO CC[C@]([NH3+])(CO)Nc1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001159744214 865497476 /nfs/dbraw/zinc/49/74/76/865497476.db2.gz SDXFVXRXEKURSA-SECBINFHSA-N 1 1 307.763 1.229 20 5 DDBDMO Nc1cc(NCC[C@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162813674 867847390 /nfs/dbraw/zinc/84/73/90/867847390.db2.gz YAYLIDKJRIZVBK-MRVPVSSYSA-N 1 1 301.297 1.619 20 5 DDBDMO CN1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1=O ZINC001166691599 870158028 /nfs/dbraw/zinc/15/80/28/870158028.db2.gz AAKBOSNYOYCVDN-ZDUSSCGKSA-N 1 1 304.350 1.225 20 5 DDBDMO CN1CC[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1=O ZINC001166691599 870158033 /nfs/dbraw/zinc/15/80/33/870158033.db2.gz AAKBOSNYOYCVDN-ZDUSSCGKSA-N 1 1 304.350 1.225 20 5 DDBDMO C[C@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670214 870618693 /nfs/dbraw/zinc/61/86/93/870618693.db2.gz XTGJCMIDGUKNOV-NWDGAFQWSA-N 1 1 322.413 1.463 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303985494 871173335 /nfs/dbraw/zinc/17/33/35/871173335.db2.gz GWBLCGCKJWKYBM-AWEZNQCLSA-N 1 1 321.377 1.820 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109352 871472285 /nfs/dbraw/zinc/47/22/85/871472285.db2.gz VMMLXNVERUDWHG-ZFWWWQNUSA-N 1 1 321.377 1.428 20 5 DDBDMO Cc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001311323312 871694056 /nfs/dbraw/zinc/69/40/56/871694056.db2.gz UGWMFVKADKRFDH-AWEZNQCLSA-N 1 1 308.338 1.091 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505017 874165496 /nfs/dbraw/zinc/16/54/96/874165496.db2.gz UOOJJDVBKDPNPE-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001227109368 882840769 /nfs/dbraw/zinc/84/07/69/882840769.db2.gz XZLKVQHOLCZVLD-DOFRTFSJSA-N 1 1 308.294 1.902 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001215997636 876839359 /nfs/dbraw/zinc/83/93/59/876839359.db2.gz FYBRDTLDTPMSEL-UHFFFAOYSA-N 1 1 307.354 1.265 20 5 DDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001227542213 883069937 /nfs/dbraw/zinc/06/99/37/883069937.db2.gz VSCIGPREPUCZMT-JTQLQIEISA-N 1 1 312.347 1.916 20 5 DDBDMO Nc1cc(N2CC[NH+](Cc3ccsc3)CC2)ncc1[N+](=O)[O-] ZINC001354063665 877725198 /nfs/dbraw/zinc/72/51/98/877725198.db2.gz YLCKJVQNLSZDNA-UHFFFAOYSA-N 1 1 319.390 1.956 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001223449765 880966128 /nfs/dbraw/zinc/96/61/28/880966128.db2.gz GTWKJWITLIWEKS-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[N@H+]1CC[C@H](OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223688265 881057443 /nfs/dbraw/zinc/05/74/43/881057443.db2.gz HEDWMPUGYOOTKV-AWEZNQCLSA-N 1 1 308.334 1.992 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001227696121 883136783 /nfs/dbraw/zinc/13/67/83/883136783.db2.gz KQILJZKDNQPLOD-BHYNMZESSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001227696121 883136792 /nfs/dbraw/zinc/13/67/92/883136792.db2.gz KQILJZKDNQPLOD-BHYNMZESSA-N 1 1 306.318 1.786 20 5 DDBDMO [NH2+]=C(NO)c1ccc(O[C@@H](C[N+](=O)[O-])c2cccnc2)cc1F ZINC001229083104 883805504 /nfs/dbraw/zinc/80/55/04/883805504.db2.gz NFTAOELZNJEDTR-ZDUSSCGKSA-N 1 1 320.280 1.922 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]1CC(=O)C2 ZINC001229486051 884006524 /nfs/dbraw/zinc/00/65/24/884006524.db2.gz DKJKMWUBHCFRLQ-BHYNMZESSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]1CC(=O)C2 ZINC001229486051 884006542 /nfs/dbraw/zinc/00/65/42/884006542.db2.gz DKJKMWUBHCFRLQ-BHYNMZESSA-N 1 1 317.301 1.919 20 5 DDBDMO COC(=O)c1cc(O[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229942925 884240880 /nfs/dbraw/zinc/24/08/80/884240880.db2.gz RHZOZWAZWOTFJM-VIFPVBQESA-N 1 1 312.297 1.994 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559075 892698938 /nfs/dbraw/zinc/69/89/38/892698938.db2.gz NFEMFNYYOHHEDD-CZUORRHYSA-N 1 1 307.394 1.702 20 5 DDBDMO O=C1NCC[C@]12CCC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598327 896523747 /nfs/dbraw/zinc/52/37/47/896523747.db2.gz WHRJMOOUTXTYJI-WBVHZDCISA-N 1 1 315.373 1.664 20 5 DDBDMO Cc1nc(NCC(C)(C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001261260735 899438689 /nfs/dbraw/zinc/43/86/89/899438689.db2.gz WLLIYZONBHKYMN-UHFFFAOYSA-N 1 1 308.386 1.131 20 5 DDBDMO CC(C)[N@H+](C)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262564503 900248154 /nfs/dbraw/zinc/24/81/54/900248154.db2.gz KFUSBHGQBYNKDU-ZDUSSCGKSA-N 1 1 311.382 1.264 20 5 DDBDMO CC(C)[N@@H+](C)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262564503 900248163 /nfs/dbraw/zinc/24/81/63/900248163.db2.gz KFUSBHGQBYNKDU-ZDUSSCGKSA-N 1 1 311.382 1.264 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001262653033 900286857 /nfs/dbraw/zinc/28/68/57/900286857.db2.gz XHKBYSXPPAIUHU-GFCCVEGCSA-N 1 1 306.366 1.607 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295611727 529381910 /nfs/dbraw/zinc/38/19/10/529381910.db2.gz DEXGORMKOFCEOI-SNVBAGLBSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@]12C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378523 231081856 /nfs/dbraw/zinc/08/18/56/231081856.db2.gz YCSRAVJDXLUOAI-CQOGHXNDSA-N 1 1 318.377 1.296 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260994 529465198 /nfs/dbraw/zinc/46/51/98/529465198.db2.gz PYIDFOUHGSIRQS-WDEREUQCSA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260994 529465199 /nfs/dbraw/zinc/46/51/99/529465199.db2.gz PYIDFOUHGSIRQS-WDEREUQCSA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260994 529465200 /nfs/dbraw/zinc/46/52/00/529465200.db2.gz PYIDFOUHGSIRQS-WDEREUQCSA-N 1 1 323.397 1.825 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000495225947 529572443 /nfs/dbraw/zinc/57/24/43/529572443.db2.gz RAYRPTQGVKLPHB-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000495225947 529572448 /nfs/dbraw/zinc/57/24/48/529572448.db2.gz RAYRPTQGVKLPHB-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425061242 529822392 /nfs/dbraw/zinc/82/23/92/529822392.db2.gz YLMMHAYYKAYRAJ-IINYFYTJSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425061242 529822394 /nfs/dbraw/zinc/82/23/94/529822394.db2.gz YLMMHAYYKAYRAJ-IINYFYTJSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000413761742 529823461 /nfs/dbraw/zinc/82/34/61/529823461.db2.gz TVNUYPQGHWIAEE-LQKXBSAESA-N 1 1 315.373 1.718 20 5 DDBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000279620847 215011393 /nfs/dbraw/zinc/01/13/93/215011393.db2.gz GVCSBPMNUOGORM-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121246230 185771158 /nfs/dbraw/zinc/77/11/58/185771158.db2.gz JFAWDLMMMDJZQS-DOMZBBRYSA-N 1 1 305.378 1.936 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279723180 215092169 /nfs/dbraw/zinc/09/21/69/215092169.db2.gz IZHYQCNXYGYLIX-GWCFXTLKSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279723180 215092171 /nfs/dbraw/zinc/09/21/71/215092171.db2.gz IZHYQCNXYGYLIX-GWCFXTLKSA-N 1 1 307.350 1.625 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000423972649 282568588 /nfs/dbraw/zinc/56/85/88/282568588.db2.gz PQDPJHVAECWWPP-ZDUSSCGKSA-N 1 1 315.333 1.115 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000152405054 186069481 /nfs/dbraw/zinc/06/94/81/186069481.db2.gz RGPPVTKDTFTQJF-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000189934968 186251812 /nfs/dbraw/zinc/25/18/12/186251812.db2.gz USDGHNLPZYFILW-NSHDSACASA-N 1 1 313.423 1.933 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996646 352475997 /nfs/dbraw/zinc/47/59/97/352475997.db2.gz MJJUUVWLZXSUKG-UONOGXRCSA-N 1 1 319.361 1.960 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000047648871 352506567 /nfs/dbraw/zinc/50/65/67/352506567.db2.gz BBCYMJUKADYPRY-ZDUSSCGKSA-N 1 1 318.333 1.803 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000052153562 352601433 /nfs/dbraw/zinc/60/14/33/352601433.db2.gz STDCTHQSRAJDGZ-UHFFFAOYSA-N 1 1 322.296 1.434 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067717829 353064330 /nfs/dbraw/zinc/06/43/30/353064330.db2.gz SIGPXVNLZPEMHE-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000067837660 353070157 /nfs/dbraw/zinc/07/01/57/353070157.db2.gz SONSJJQFVUKQLN-HZPDHXFCSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000074105423 353292878 /nfs/dbraw/zinc/29/28/78/353292878.db2.gz HCMCREPAJFPRHM-GFCCVEGCSA-N 1 1 307.350 1.435 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000174473450 198339026 /nfs/dbraw/zinc/33/90/26/198339026.db2.gz CWGQFEKWTDUFDR-CYBMUJFWSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000079914528 353581861 /nfs/dbraw/zinc/58/18/61/353581861.db2.gz DEONKRBEWHLUJN-NSHDSACASA-N 1 1 306.366 1.980 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000079914524 353582166 /nfs/dbraw/zinc/58/21/66/353582166.db2.gz DEONKRBEWHLUJN-LLVKDONJSA-N 1 1 306.366 1.980 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000088718357 353758137 /nfs/dbraw/zinc/75/81/37/353758137.db2.gz PAPWLLYPXZHOOK-ZDUSSCGKSA-N 1 1 320.393 1.903 20 5 DDBDMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000108298392 353948990 /nfs/dbraw/zinc/94/89/90/353948990.db2.gz BDQWAIYUVUKWCM-GFCCVEGCSA-N 1 1 321.381 1.127 20 5 DDBDMO CC(C)(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000102487500 353926066 /nfs/dbraw/zinc/92/60/66/353926066.db2.gz IXKCERWYBJYYAH-LLVKDONJSA-N 1 1 321.381 1.127 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000108345023 353951409 /nfs/dbraw/zinc/95/14/09/353951409.db2.gz FLPZUFDKBKLSJD-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142253055 354144198 /nfs/dbraw/zinc/14/41/98/354144198.db2.gz TZBVPRAAJYYMKP-ZDUSSCGKSA-N 1 1 319.361 1.670 20 5 DDBDMO CCc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157276944 354224173 /nfs/dbraw/zinc/22/41/73/354224173.db2.gz QJMLRCIQRMYOIY-XHDPSFHLSA-N 1 1 321.377 1.606 20 5 DDBDMO CCc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157276944 354224175 /nfs/dbraw/zinc/22/41/75/354224175.db2.gz QJMLRCIQRMYOIY-XHDPSFHLSA-N 1 1 321.377 1.606 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423369 354225071 /nfs/dbraw/zinc/22/50/71/354225071.db2.gz QHMBDNCOKOSXEB-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423369 354225074 /nfs/dbraw/zinc/22/50/74/354225074.db2.gz QHMBDNCOKOSXEB-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO COCC[N@@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000316061822 354500157 /nfs/dbraw/zinc/50/01/57/354500157.db2.gz JWJBRXFMOHGPBW-UHFFFAOYSA-N 1 1 305.338 1.528 20 5 DDBDMO COc1ccc(C[N@@H+]2CCC[C@@](CO)(OC)C2)cc1[N+](=O)[O-] ZINC000401782131 354667254 /nfs/dbraw/zinc/66/72/54/354667254.db2.gz QVPHZXVFRPZQFM-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@](CO)(OC)C2)cc1[N+](=O)[O-] ZINC000401782131 354667257 /nfs/dbraw/zinc/66/72/57/354667257.db2.gz QVPHZXVFRPZQFM-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000585800600 354848999 /nfs/dbraw/zinc/84/89/99/354848999.db2.gz ASSFKBLNZGTBAM-RRFJBIMHSA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000585800600 354849002 /nfs/dbraw/zinc/84/90/02/354849002.db2.gz ASSFKBLNZGTBAM-RRFJBIMHSA-N 1 1 324.381 1.043 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861872 354944502 /nfs/dbraw/zinc/94/45/02/354944502.db2.gz VTYRTBXSUPIVGC-NEPJUHHUSA-N 1 1 323.324 1.015 20 5 DDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000589958357 355035299 /nfs/dbraw/zinc/03/52/99/355035299.db2.gz PQPNPDDMFYFZAG-JTQLQIEISA-N 1 1 323.349 1.782 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010567 355040351 /nfs/dbraw/zinc/04/03/51/355040351.db2.gz PDPQJENEMDJWFL-BXUZGUMPSA-N 1 1 304.350 1.169 20 5 DDBDMO CCc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044202 355042465 /nfs/dbraw/zinc/04/24/65/355042465.db2.gz IFRXHFZPJYPXOM-UKRRQHHQSA-N 1 1 303.362 1.933 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403321 355085437 /nfs/dbraw/zinc/08/54/37/355085437.db2.gz KSBNHEGZLQRNQW-GXSJLCMTSA-N 1 1 309.370 1.435 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC(C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000590568112 355115838 /nfs/dbraw/zinc/11/58/38/355115838.db2.gz QRSPEMZDSGEEHF-UHFFFAOYSA-N 1 1 312.757 1.412 20 5 DDBDMO C[N@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143046 355254324 /nfs/dbraw/zinc/25/43/24/355254324.db2.gz NUHORQMEKVNSJU-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO CN1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143046 355254327 /nfs/dbraw/zinc/25/43/27/355254327.db2.gz NUHORQMEKVNSJU-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO CN1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591143046 355254329 /nfs/dbraw/zinc/25/43/29/355254329.db2.gz NUHORQMEKVNSJU-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476883 355320846 /nfs/dbraw/zinc/32/08/46/355320846.db2.gz MSMQDDOOUPBNLU-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000591687930 355363096 /nfs/dbraw/zinc/36/30/96/355363096.db2.gz IRHQYYRGUWIWLY-OAHLLOKOSA-N 1 1 312.329 1.777 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000593024740 355772918 /nfs/dbraw/zinc/77/29/18/355772918.db2.gz LOCXTLDBABTFBF-HZMBPMFUSA-N 1 1 308.334 1.584 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195393 356136185 /nfs/dbraw/zinc/13/61/85/356136185.db2.gz GKRZYTBDVXILAL-JSGCOSHPSA-N 1 1 304.350 1.737 20 5 DDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000594651937 356275434 /nfs/dbraw/zinc/27/54/34/356275434.db2.gz PMVGDBONKBGAAF-OAHLLOKOSA-N 1 1 317.349 1.191 20 5 DDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000594651937 356275438 /nfs/dbraw/zinc/27/54/38/356275438.db2.gz PMVGDBONKBGAAF-OAHLLOKOSA-N 1 1 317.349 1.191 20 5 DDBDMO CCO[C@H]1C[C@@](CO)([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595447078 356496790 /nfs/dbraw/zinc/49/67/90/356496790.db2.gz FTBFXJHVHYOBAN-FZMZJTMJSA-N 1 1 313.354 1.547 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081519636 192279786 /nfs/dbraw/zinc/27/97/86/192279786.db2.gz KPDAHCKUEZWXIY-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO O=C(C[N@H+](C1CC1)C1(CO)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595533183 356537373 /nfs/dbraw/zinc/53/73/73/356537373.db2.gz ILZBSUQYKPCPLM-UHFFFAOYSA-N 1 1 319.361 1.913 20 5 DDBDMO O=C(C[N@@H+](C1CC1)C1(CO)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000595533183 356537375 /nfs/dbraw/zinc/53/73/75/356537375.db2.gz ILZBSUQYKPCPLM-UHFFFAOYSA-N 1 1 319.361 1.913 20 5 DDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595771735 356646465 /nfs/dbraw/zinc/64/64/65/356646465.db2.gz FBIKLHRTGFLVPO-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]1(C)CO ZINC000595873338 356687290 /nfs/dbraw/zinc/68/72/90/356687290.db2.gz LVCGPQARYWNKSD-MEBBXXQBSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]1(C)CO ZINC000595873338 356687295 /nfs/dbraw/zinc/68/72/95/356687295.db2.gz LVCGPQARYWNKSD-MEBBXXQBSA-N 1 1 304.350 1.921 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864793 356682863 /nfs/dbraw/zinc/68/28/63/356682863.db2.gz COPPYBRTINYIRR-CYBMUJFWSA-N 1 1 323.368 1.765 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595868949 356684493 /nfs/dbraw/zinc/68/44/93/356684493.db2.gz CNXFAHGXXPBUCR-MLGOLLRUSA-N 1 1 321.377 1.874 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccc(F)cc2F)n1 ZINC000595867779 356685202 /nfs/dbraw/zinc/68/52/02/356685202.db2.gz QLYIUWBZAXBLJN-LBPRGKRZSA-N 1 1 312.276 1.393 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595936099 356712424 /nfs/dbraw/zinc/71/24/24/356712424.db2.gz MYZHFGPXUUJNDV-LBPRGKRZSA-N 1 1 321.381 1.478 20 5 DDBDMO NC(=O)c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596078989 356764894 /nfs/dbraw/zinc/76/48/94/356764894.db2.gz HQGIEBOYCROUBX-JTQLQIEISA-N 1 1 304.350 1.590 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000598341606 357544064 /nfs/dbraw/zinc/54/40/64/357544064.db2.gz DLSDZXKLYOUJAZ-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000598624162 357659313 /nfs/dbraw/zinc/65/93/13/357659313.db2.gz FDZZWZBHWAVOAV-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000598624162 357659316 /nfs/dbraw/zinc/65/93/16/357659316.db2.gz FDZZWZBHWAVOAV-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c2ccncc21 ZINC000599203571 357850013 /nfs/dbraw/zinc/85/00/13/357850013.db2.gz XHTKEPVHVQVZMA-NSHDSACASA-N 1 1 302.334 1.622 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599780220 358056871 /nfs/dbraw/zinc/05/68/71/358056871.db2.gz UEDOPZDXTLIDAL-GFCCVEGCSA-N 1 1 322.365 1.400 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180184281 199127405 /nfs/dbraw/zinc/12/74/05/199127405.db2.gz KGXZNPNSUZEACJ-INIZCTEOSA-N 1 1 316.361 1.952 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601116399 358409033 /nfs/dbraw/zinc/40/90/33/358409033.db2.gz SXOJPSDBCXLYHD-CYBMUJFWSA-N 1 1 315.377 1.223 20 5 DDBDMO CC(=O)N1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601101404 358402538 /nfs/dbraw/zinc/40/25/38/358402538.db2.gz QTZCWTYYZZBYPX-UHFFFAOYSA-N 1 1 314.345 1.988 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602132212 358835378 /nfs/dbraw/zinc/83/53/78/358835378.db2.gz INXLGZVQSSRZAN-AWEZNQCLSA-N 1 1 304.350 1.359 20 5 DDBDMO Cn1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602619076 359077422 /nfs/dbraw/zinc/07/74/22/359077422.db2.gz LGUZBUIDTWEXSW-UHFFFAOYSA-N 1 1 310.354 1.100 20 5 DDBDMO Cn1cc(C[N@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602619076 359077426 /nfs/dbraw/zinc/07/74/26/359077426.db2.gz LGUZBUIDTWEXSW-UHFFFAOYSA-N 1 1 310.354 1.100 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000603143330 359432377 /nfs/dbraw/zinc/43/23/77/359432377.db2.gz SRVVMEKKUOGDGS-CYBMUJFWSA-N 1 1 323.397 1.370 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(CO)CC1 ZINC000186812407 200015141 /nfs/dbraw/zinc/01/51/41/200015141.db2.gz IIMCDOIMXJUBDL-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(CO)CC1 ZINC000186812407 200015143 /nfs/dbraw/zinc/01/51/43/200015143.db2.gz IIMCDOIMXJUBDL-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000186817323 200016282 /nfs/dbraw/zinc/01/62/82/200016282.db2.gz NXVKESURXLXBQQ-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604290910 359731824 /nfs/dbraw/zinc/73/18/24/359731824.db2.gz LXZWBRUKWNTYKG-GFCCVEGCSA-N 1 1 322.365 1.497 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189375953 200390117 /nfs/dbraw/zinc/39/01/17/200390117.db2.gz UDTMEWXABVPCGZ-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189375953 200390119 /nfs/dbraw/zinc/39/01/19/200390119.db2.gz UDTMEWXABVPCGZ-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609044641 360258193 /nfs/dbraw/zinc/25/81/93/360258193.db2.gz NVQMWTQYHZDBMK-LBPRGKRZSA-N 1 1 307.350 1.356 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383566 360302851 /nfs/dbraw/zinc/30/28/51/360302851.db2.gz UJGJRMPVXYSVHE-CQSZACIVSA-N 1 1 303.362 1.738 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383565 360302941 /nfs/dbraw/zinc/30/29/41/360302941.db2.gz UJGJRMPVXYSVHE-AWEZNQCLSA-N 1 1 303.362 1.738 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610518580 360458693 /nfs/dbraw/zinc/45/86/93/360458693.db2.gz RWQHPYJFOTZWLD-NSHDSACASA-N 1 1 303.322 1.733 20 5 DDBDMO Cc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611165917 360643212 /nfs/dbraw/zinc/64/32/12/360643212.db2.gz IZTPXJMDYKOHMW-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO COC[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086273 360913527 /nfs/dbraw/zinc/91/35/27/360913527.db2.gz LVWZMVSICSKQBS-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cnc(N[C@H](C)CC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000613704766 361526781 /nfs/dbraw/zinc/52/67/81/361526781.db2.gz QVCFDZNISCOOPR-CYBMUJFWSA-N 1 1 307.398 1.736 20 5 DDBDMO O=C1N[C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281523626 216359782 /nfs/dbraw/zinc/35/97/82/216359782.db2.gz ZOEFIKMRJHILNC-PWSUYJOCSA-N 1 1 309.297 1.664 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281523626 216359785 /nfs/dbraw/zinc/35/97/85/216359785.db2.gz ZOEFIKMRJHILNC-PWSUYJOCSA-N 1 1 309.297 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873754 364170307 /nfs/dbraw/zinc/17/03/07/364170307.db2.gz UTESVQZCBCCKQB-AWEZNQCLSA-N 1 1 318.377 1.023 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619874131 364170439 /nfs/dbraw/zinc/17/04/39/364170439.db2.gz ZJEBTIXRMGTBLS-CQSZACIVSA-N 1 1 318.377 1.023 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275271070 212238475 /nfs/dbraw/zinc/23/84/75/212238475.db2.gz UUZPFOOFPHFJBE-LLVKDONJSA-N 1 1 305.334 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275271070 212238478 /nfs/dbraw/zinc/23/84/78/212238478.db2.gz UUZPFOOFPHFJBE-LLVKDONJSA-N 1 1 305.334 1.834 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000264585586 204011471 /nfs/dbraw/zinc/01/14/71/204011471.db2.gz KKXILBXPLZEJBS-LBPRGKRZSA-N 1 1 322.365 1.087 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509849 217049710 /nfs/dbraw/zinc/04/97/10/217049710.db2.gz RTWNBKWZTNGVGN-OAHLLOKOSA-N 1 1 310.350 1.383 20 5 DDBDMO Cc1cnc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000266226055 205198647 /nfs/dbraw/zinc/19/86/47/205198647.db2.gz RUKOCVKSIIUUQS-LLVKDONJSA-N 1 1 307.354 1.050 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365955 206014473 /nfs/dbraw/zinc/01/44/73/206014473.db2.gz XHZBLBNREQWVGU-OLZOCXBDSA-N 1 1 318.377 1.842 20 5 DDBDMO Cc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000285365993 218399054 /nfs/dbraw/zinc/39/90/54/218399054.db2.gz AQSMGWOVXBMMEP-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO Cc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000285365993 218399055 /nfs/dbraw/zinc/39/90/55/218399055.db2.gz AQSMGWOVXBMMEP-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000285594549 218528449 /nfs/dbraw/zinc/52/84/49/218528449.db2.gz IYMDKKJQFARKAA-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000285594549 218528452 /nfs/dbraw/zinc/52/84/52/218528452.db2.gz IYMDKKJQFARKAA-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000059014093 184133944 /nfs/dbraw/zinc/13/39/44/184133944.db2.gz CSNWCFUCKUSRTO-UHFFFAOYSA-N 1 1 323.349 1.390 20 5 DDBDMO CC[C@@]1(C)COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871829 251253970 /nfs/dbraw/zinc/25/39/70/251253970.db2.gz CXSDYYZHWCYEMM-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871829 251253973 /nfs/dbraw/zinc/25/39/73/251253973.db2.gz CXSDYYZHWCYEMM-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000061605803 184177524 /nfs/dbraw/zinc/17/75/24/184177524.db2.gz KNKPZECMZYUZNO-UHFFFAOYSA-N 1 1 303.362 1.834 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341025444 251345038 /nfs/dbraw/zinc/34/50/38/251345038.db2.gz JCNSXHOKDYJJTC-OCCSQVGLSA-N 1 1 320.393 1.919 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+](C)CCN(C)C ZINC000341047284 251353752 /nfs/dbraw/zinc/35/37/52/251353752.db2.gz LRGVCDTZUXMGHR-UHFFFAOYSA-N 1 1 312.418 1.415 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCN(C)CC[NH+](C)C ZINC000341047284 251353755 /nfs/dbraw/zinc/35/37/55/251353755.db2.gz LRGVCDTZUXMGHR-UHFFFAOYSA-N 1 1 312.418 1.415 20 5 DDBDMO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000065535897 184362241 /nfs/dbraw/zinc/36/22/41/184362241.db2.gz RWOULXGPTKUMNR-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO Cc1c(NC(=O)N2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000120098648 195096852 /nfs/dbraw/zinc/09/68/52/195096852.db2.gz VCEMFIODLPVLIC-UHFFFAOYSA-N 1 1 308.338 1.045 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000155218417 197034128 /nfs/dbraw/zinc/03/41/28/197034128.db2.gz UHNLNSONFNGTCL-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO C[N@@H+]1CCCC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507882 781992558 /nfs/dbraw/zinc/99/25/58/781992558.db2.gz MCCBQCXNOWAOSR-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507882 781992566 /nfs/dbraw/zinc/99/25/66/781992566.db2.gz MCCBQCXNOWAOSR-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000068244005 406626866 /nfs/dbraw/zinc/62/68/66/406626866.db2.gz FRJHVZMJPPAMNM-UHFFFAOYSA-N 1 1 323.397 1.480 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCn2cccn2)CC1 ZINC000049983247 407126653 /nfs/dbraw/zinc/12/66/53/407126653.db2.gz QEISFMJAKVYTKF-UHFFFAOYSA-N 1 1 301.350 1.614 20 5 DDBDMO Cc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000122351563 407298262 /nfs/dbraw/zinc/29/82/62/407298262.db2.gz CPHJQSSNVJPHGF-GFCCVEGCSA-N 1 1 317.349 1.659 20 5 DDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)o1 ZINC000125297444 407383934 /nfs/dbraw/zinc/38/39/34/407383934.db2.gz LDLRTFBHLVESJV-UHFFFAOYSA-N 1 1 308.338 1.841 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C)o1 ZINC000125297444 407383936 /nfs/dbraw/zinc/38/39/36/407383936.db2.gz LDLRTFBHLVESJV-UHFFFAOYSA-N 1 1 308.338 1.841 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1 ZINC000127153508 407429115 /nfs/dbraw/zinc/42/91/15/407429115.db2.gz SHAPRFFPQXLGMI-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178558640 407490770 /nfs/dbraw/zinc/49/07/70/407490770.db2.gz PIEJMUAPMZUYCT-ZDUSSCGKSA-N 1 1 323.397 1.276 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000152074417 407556389 /nfs/dbraw/zinc/55/63/89/407556389.db2.gz WNPODTKKUVQZJC-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000152074417 407556397 /nfs/dbraw/zinc/55/63/97/407556397.db2.gz WNPODTKKUVQZJC-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062594 407536568 /nfs/dbraw/zinc/53/65/68/407536568.db2.gz BXOCKCRSWAEZJM-NSHDSACASA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062594 407536571 /nfs/dbraw/zinc/53/65/71/407536571.db2.gz BXOCKCRSWAEZJM-NSHDSACASA-N 1 1 323.349 1.583 20 5 DDBDMO CN(CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266258655 407537849 /nfs/dbraw/zinc/53/78/49/407537849.db2.gz KGHRHIRJXKALHF-LBPRGKRZSA-N 1 1 306.366 1.099 20 5 DDBDMO C[C@@H]([NH3+])C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000178812986 407611884 /nfs/dbraw/zinc/61/18/84/407611884.db2.gz CRKFSHRIHAQEAG-SECBINFHSA-N 1 1 317.349 1.671 20 5 DDBDMO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000129964889 407640973 /nfs/dbraw/zinc/64/09/73/407640973.db2.gz RUTCSOCQJFSGIP-TUAOUCFPSA-N 1 1 309.370 1.169 20 5 DDBDMO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[N@@H+](C)C1CC1 ZINC000186747999 407761459 /nfs/dbraw/zinc/76/14/59/407761459.db2.gz VAECUPMJPLVFMW-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000186747999 407761465 /nfs/dbraw/zinc/76/14/65/407761465.db2.gz VAECUPMJPLVFMW-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000186747999 407761468 /nfs/dbraw/zinc/76/14/68/407761468.db2.gz VAECUPMJPLVFMW-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191644 407773719 /nfs/dbraw/zinc/77/37/19/407773719.db2.gz WWPGNGLGERCYGL-GWCFXTLKSA-N 1 1 307.350 1.429 20 5 DDBDMO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272107416 407777279 /nfs/dbraw/zinc/77/72/79/407777279.db2.gz MUDWPPDSMKLHGD-STQMWFEESA-N 1 1 320.393 1.408 20 5 DDBDMO COCCC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117336723 407832124 /nfs/dbraw/zinc/83/21/24/407832124.db2.gz SMAQPARUPWCBRV-UHFFFAOYSA-N 1 1 323.349 1.861 20 5 DDBDMO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187418260 407854408 /nfs/dbraw/zinc/85/44/08/407854408.db2.gz NFEFQCMPAUSPEK-RISCZKNCSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187418260 407854416 /nfs/dbraw/zinc/85/44/16/407854416.db2.gz NFEFQCMPAUSPEK-RISCZKNCSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000118129262 407898486 /nfs/dbraw/zinc/89/84/86/407898486.db2.gz HVSPGFSHJGWPNY-SNVBAGLBSA-N 1 1 320.349 1.132 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248145 407967679 /nfs/dbraw/zinc/96/76/79/407967679.db2.gz WKVDDGCYFPWOSJ-NHYWBVRUSA-N 1 1 303.362 1.736 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H](C)O ZINC000245778836 408068851 /nfs/dbraw/zinc/06/88/51/408068851.db2.gz LWQMDCPVJAABLM-DTWKUNHWSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H](C)O ZINC000245778836 408068856 /nfs/dbraw/zinc/06/88/56/408068856.db2.gz LWQMDCPVJAABLM-DTWKUNHWSA-N 1 1 315.757 1.888 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000119934967 408116056 /nfs/dbraw/zinc/11/60/56/408116056.db2.gz YFMFQJUPNIPKRQ-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000119934967 408116062 /nfs/dbraw/zinc/11/60/62/408116062.db2.gz YFMFQJUPNIPKRQ-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246212073 408179020 /nfs/dbraw/zinc/17/90/20/408179020.db2.gz ANFSWBMDTWCALO-AWEZNQCLSA-N 1 1 318.377 1.622 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729261 408189552 /nfs/dbraw/zinc/18/95/52/408189552.db2.gz BYCCSKXKZZMPGR-RKDXNWHRSA-N 1 1 307.354 1.235 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000175905994 408234842 /nfs/dbraw/zinc/23/48/42/408234842.db2.gz MMKFGSVLDQYUDP-CYBMUJFWSA-N 1 1 320.349 1.073 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000175905994 408234849 /nfs/dbraw/zinc/23/48/49/408234849.db2.gz MMKFGSVLDQYUDP-CYBMUJFWSA-N 1 1 320.349 1.073 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000246726291 408326103 /nfs/dbraw/zinc/32/61/03/408326103.db2.gz AHUMEXGWCLDOTE-JOYOIKCWSA-N 1 1 324.356 1.775 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263902017 408307017 /nfs/dbraw/zinc/30/70/17/408307017.db2.gz BQWOQZPEQPAXAJ-VIFPVBQESA-N 1 1 316.321 1.196 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176209545 408310700 /nfs/dbraw/zinc/31/07/00/408310700.db2.gz RINGJAIJPRSLLE-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO Cc1noc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176214825 408312910 /nfs/dbraw/zinc/31/29/10/408312910.db2.gz PLNZNMSQJIPMRR-NSHDSACASA-N 1 1 306.326 1.362 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195825 408350473 /nfs/dbraw/zinc/35/04/73/408350473.db2.gz CMCIEMWMFLZBEV-SRVKXCTJSA-N 1 1 307.350 1.625 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176714168 408422272 /nfs/dbraw/zinc/42/22/72/408422272.db2.gz RSEYAPWAGBUPLH-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177033659 408503795 /nfs/dbraw/zinc/50/37/95/408503795.db2.gz SMCLSNVZAAOGAC-NEPJUHHUSA-N 1 1 318.377 1.748 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(O)CC1 ZINC000177300927 408575355 /nfs/dbraw/zinc/57/53/55/408575355.db2.gz JMAXLZIWEYJGCK-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO [NH3+][C@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000160873870 408535528 /nfs/dbraw/zinc/53/55/28/408535528.db2.gz AOMQAEYXTOARRG-DTWKUNHWSA-N 1 1 303.322 1.471 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265298766 408607086 /nfs/dbraw/zinc/60/70/86/408607086.db2.gz LZKGKRBLSFNDAR-CQSZACIVSA-N 1 1 305.378 1.938 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265298765 408607270 /nfs/dbraw/zinc/60/72/70/408607270.db2.gz LZKGKRBLSFNDAR-AWEZNQCLSA-N 1 1 305.378 1.938 20 5 DDBDMO CCN1CC[NH+]([C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193419694 408718306 /nfs/dbraw/zinc/71/83/06/408718306.db2.gz SLZHPZZPHFLCFV-AWEZNQCLSA-N 1 1 319.409 1.393 20 5 DDBDMO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185333639 408795300 /nfs/dbraw/zinc/79/53/00/408795300.db2.gz NYAXTKNOZBSZME-LBPRGKRZSA-N 1 1 309.366 1.872 20 5 DDBDMO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185333639 408795306 /nfs/dbraw/zinc/79/53/06/408795306.db2.gz NYAXTKNOZBSZME-LBPRGKRZSA-N 1 1 309.366 1.872 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183594314 162857735 /nfs/dbraw/zinc/85/77/35/162857735.db2.gz SDPCLACHKJQGIO-LLVKDONJSA-N 1 1 323.353 1.222 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000290837446 408841077 /nfs/dbraw/zinc/84/10/77/408841077.db2.gz GZPVQDDCRMFICP-JTQLQIEISA-N 1 1 311.386 1.487 20 5 DDBDMO Cc1c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285953373 408895893 /nfs/dbraw/zinc/89/58/93/408895893.db2.gz WHZJGQCERZADPG-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000281618135 408897871 /nfs/dbraw/zinc/89/78/71/408897871.db2.gz BWVQROOECJHRRG-SNVBAGLBSA-N 1 1 309.370 1.471 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014908 408907326 /nfs/dbraw/zinc/90/73/26/408907326.db2.gz PPOATBOMPSLUMF-WCQYABFASA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014908 408907328 /nfs/dbraw/zinc/90/73/28/408907328.db2.gz PPOATBOMPSLUMF-WCQYABFASA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286095780 408922926 /nfs/dbraw/zinc/92/29/26/408922926.db2.gz NJHBXOXQICRBMS-VYUIOLGVSA-N 1 1 317.349 1.587 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223740 408944773 /nfs/dbraw/zinc/94/47/73/408944773.db2.gz YVIGNNKPZVQCDH-CZUORRHYSA-N 1 1 305.378 1.890 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291959778 408953298 /nfs/dbraw/zinc/95/32/98/408953298.db2.gz UYOJFZNODAWIDG-LLVKDONJSA-N 1 1 316.304 1.923 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292129662 408985475 /nfs/dbraw/zinc/98/54/75/408985475.db2.gz BFQGVVOQFYJAMW-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000287306774 409016144 /nfs/dbraw/zinc/01/61/44/409016144.db2.gz UNXZXRSNFZCFKW-ABAIWWIYSA-N 1 1 319.361 1.999 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293288062 409083804 /nfs/dbraw/zinc/08/38/04/409083804.db2.gz VURYUIXGWSLYMN-ZIAGYGMSSA-N 1 1 310.350 1.181 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CN1 ZINC000278837665 409098066 /nfs/dbraw/zinc/09/80/66/409098066.db2.gz IXLDDXANPCURAC-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO CCc1nn(C)c(NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000288852724 409188980 /nfs/dbraw/zinc/18/89/80/409188980.db2.gz KNVFACAFVWWOJJ-UHFFFAOYSA-N 1 1 307.358 1.302 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000288418030 409165188 /nfs/dbraw/zinc/16/51/88/409165188.db2.gz MAAZIVJKWZGUCN-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000288418030 409165190 /nfs/dbraw/zinc/16/51/90/409165190.db2.gz MAAZIVJKWZGUCN-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293895015 409201937 /nfs/dbraw/zinc/20/19/37/409201937.db2.gz NEDMRRLFWKYBON-INIZCTEOSA-N 1 1 303.362 1.692 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284328672 409321769 /nfs/dbraw/zinc/32/17/69/409321769.db2.gz KOYJWIPLSYPJBD-HZPDHXFCSA-N 1 1 305.378 1.808 20 5 DDBDMO CCOc1cccc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284995668 409390028 /nfs/dbraw/zinc/39/00/28/409390028.db2.gz LREHYTSGIHXJDQ-UONOGXRCSA-N 1 1 321.377 1.903 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284350120 409330470 /nfs/dbraw/zinc/33/04/70/409330470.db2.gz MFSPIUBWGDDFOX-CJKAQPIMSA-N 1 1 319.405 1.995 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)CO ZINC000295293466 409416785 /nfs/dbraw/zinc/41/67/85/409416785.db2.gz UJFAOYZZPYKVTK-LLVKDONJSA-N 1 1 309.366 1.872 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1F ZINC000316493830 164022369 /nfs/dbraw/zinc/02/23/69/164022369.db2.gz XZRSZOVCYPUAJQ-ZDUSSCGKSA-N 1 1 309.341 1.640 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1F ZINC000316493830 164022371 /nfs/dbraw/zinc/02/23/71/164022371.db2.gz XZRSZOVCYPUAJQ-ZDUSSCGKSA-N 1 1 309.341 1.640 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC000285509809 409473086 /nfs/dbraw/zinc/47/30/86/409473086.db2.gz QCOZYXPJNKLMTE-UHFFFAOYSA-N 1 1 309.370 1.702 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295412603 409474061 /nfs/dbraw/zinc/47/40/61/409474061.db2.gz JLTZOKTUDOVGCT-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000408464934 164340049 /nfs/dbraw/zinc/34/00/49/164340049.db2.gz GFKRESWQZPWBLU-LLVKDONJSA-N 1 1 324.356 1.818 20 5 DDBDMO COC(=O)c1cnc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000290703925 409493763 /nfs/dbraw/zinc/49/37/63/409493763.db2.gz NRVRHVRJVRESIW-SNVBAGLBSA-N 1 1 310.354 1.917 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000354079116 409637129 /nfs/dbraw/zinc/63/71/29/409637129.db2.gz CGFQSLWDYSOOCC-NSHDSACASA-N 1 1 306.366 1.485 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000354007557 409594042 /nfs/dbraw/zinc/59/40/42/409594042.db2.gz QNFNCIDYEPSWPI-NSHDSACASA-N 1 1 323.397 1.351 20 5 DDBDMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623722 409705665 /nfs/dbraw/zinc/70/56/65/409705665.db2.gz YEXKBUXXPHEAMA-KFWWJZLASA-N 1 1 324.381 1.043 20 5 DDBDMO C[N@@H+](CC(C)(C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304737535 409642364 /nfs/dbraw/zinc/64/23/64/409642364.db2.gz SNZZUVMELBEAEU-ZDUSSCGKSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356843158 409655406 /nfs/dbraw/zinc/65/54/06/409655406.db2.gz GBLWLEUAMPODOX-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000354284114 409748603 /nfs/dbraw/zinc/74/86/03/409748603.db2.gz WANIICLWZLXUGV-SNVBAGLBSA-N 1 1 311.363 1.110 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000354284114 409748610 /nfs/dbraw/zinc/74/86/10/409748610.db2.gz WANIICLWZLXUGV-SNVBAGLBSA-N 1 1 311.363 1.110 20 5 DDBDMO CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1CC ZINC000297054962 409780356 /nfs/dbraw/zinc/78/03/56/409780356.db2.gz IQCSLXYDYAOSLT-CYBMUJFWSA-N 1 1 323.397 1.630 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000346263209 409890446 /nfs/dbraw/zinc/89/04/46/409890446.db2.gz BXJPKZALBQTUPV-OAHLLOKOSA-N 1 1 321.381 1.081 20 5 DDBDMO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000320233250 409903041 /nfs/dbraw/zinc/90/30/41/409903041.db2.gz HQWCRHGZFNNQIQ-JGVFFNPUSA-N 1 1 305.331 1.138 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357686995 410185894 /nfs/dbraw/zinc/18/58/94/410185894.db2.gz QVSATNMAJPZSLJ-NSHDSACASA-N 1 1 321.381 1.621 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000357774923 410241516 /nfs/dbraw/zinc/24/15/16/410241516.db2.gz NCEWVVNOITVOCE-JTQLQIEISA-N 1 1 309.370 1.621 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351827957 410271839 /nfs/dbraw/zinc/27/18/39/410271839.db2.gz MSUSNIUMXFCBPM-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351774896 410224719 /nfs/dbraw/zinc/22/47/19/410224719.db2.gz PGFPHEDEWSVUPT-ZWNOBZJWSA-N 1 1 321.333 1.205 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298430188 410225509 /nfs/dbraw/zinc/22/55/09/410225509.db2.gz QAAFOJDEEVRCPV-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357908911 410321889 /nfs/dbraw/zinc/32/18/89/410321889.db2.gz FMLOGRLGKUOUQM-LBPRGKRZSA-N 1 1 309.391 1.897 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993314 410297045 /nfs/dbraw/zinc/29/70/45/410297045.db2.gz JCAMMCCOUAYWQP-OAHLLOKOSA-N 1 1 314.345 1.989 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355084262 410304817 /nfs/dbraw/zinc/30/48/17/410304817.db2.gz XAMSFDHVEFIBBS-MRXNPFEDSA-N 1 1 322.361 1.873 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355084262 410304826 /nfs/dbraw/zinc/30/48/26/410304826.db2.gz XAMSFDHVEFIBBS-MRXNPFEDSA-N 1 1 322.361 1.873 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000347187230 410379957 /nfs/dbraw/zinc/37/99/57/410379957.db2.gz KVJMEMUEHODSKM-NSHDSACASA-N 1 1 310.354 1.154 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407961 410461053 /nfs/dbraw/zinc/46/10/53/410461053.db2.gz GCOLWDDGDUCFRG-ZUZCIYMTSA-N 1 1 321.352 1.875 20 5 DDBDMO O=C(C[NH2+][C@@H](CO)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000352034074 410431707 /nfs/dbraw/zinc/43/17/07/410431707.db2.gz XZRCCJBHIWOHQQ-LBPRGKRZSA-N 1 1 321.358 1.918 20 5 DDBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cn2cc[nH+]c12 ZINC000355484320 410540353 /nfs/dbraw/zinc/54/03/53/410540353.db2.gz VSMLQQLKJIWYCH-UHFFFAOYSA-N 1 1 312.289 1.780 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343598129 410561997 /nfs/dbraw/zinc/56/19/97/410561997.db2.gz ICBHVSLZYMAEPS-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000347610939 410630301 /nfs/dbraw/zinc/63/03/01/410630301.db2.gz CAALOCHHZNNECA-GFCCVEGCSA-N 1 1 318.324 1.662 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301304597 410696538 /nfs/dbraw/zinc/69/65/38/410696538.db2.gz TWCAOSZMGJVBRK-AWEZNQCLSA-N 1 1 305.382 1.206 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343802148 410710807 /nfs/dbraw/zinc/71/08/07/410710807.db2.gz SORXJRVKRHHPSW-IUODEOHRSA-N 1 1 320.393 1.919 20 5 DDBDMO CCC(=O)c1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000359564390 410733903 /nfs/dbraw/zinc/73/39/03/410733903.db2.gz KWNWROSKKMKORO-HNNXBMFYSA-N 1 1 307.350 1.666 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353040143 410753841 /nfs/dbraw/zinc/75/38/41/410753841.db2.gz NIBAZDMKTGMDLQ-GDBMZVCRSA-N 1 1 316.361 1.469 20 5 DDBDMO Cc1nc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301646818 410763893 /nfs/dbraw/zinc/76/38/93/410763893.db2.gz IDUCGJGORMAGMD-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000331184642 411003831 /nfs/dbraw/zinc/00/38/31/411003831.db2.gz YIYASLLSUYDWMI-OAHLLOKOSA-N 1 1 321.377 1.772 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353767457 411126701 /nfs/dbraw/zinc/12/67/01/411126701.db2.gz LELKIQVKNHZOLV-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO Cc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000296718956 226158016 /nfs/dbraw/zinc/15/80/16/226158016.db2.gz HEICPGBQNQQSNJ-CYBMUJFWSA-N 1 1 321.381 1.242 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000366882758 418531147 /nfs/dbraw/zinc/53/11/47/418531147.db2.gz MCKHDXLSFTYMKM-ZIAGYGMSSA-N 1 1 305.334 1.184 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)[N@H+]1C ZINC000294050792 418582660 /nfs/dbraw/zinc/58/26/60/418582660.db2.gz UFPPKLWBCRYXKT-DTORHVGOSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)[N@@H+]1C ZINC000294050792 418582661 /nfs/dbraw/zinc/58/26/61/418582661.db2.gz UFPPKLWBCRYXKT-DTORHVGOSA-N 1 1 310.329 1.481 20 5 DDBDMO O=C1[C@H]([N@@H+]2C[C@@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316765 418627784 /nfs/dbraw/zinc/62/77/84/418627784.db2.gz ZHMWGBYYEFISPT-ZIAGYGMSSA-N 1 1 317.345 1.157 20 5 DDBDMO O=C1[C@H]([N@H+]2C[C@@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316765 418627787 /nfs/dbraw/zinc/62/77/87/418627787.db2.gz ZHMWGBYYEFISPT-ZIAGYGMSSA-N 1 1 317.345 1.157 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000375668209 418670582 /nfs/dbraw/zinc/67/05/82/418670582.db2.gz DNOMXMNIDZOPBW-SOUVJXGZSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000375668209 418670585 /nfs/dbraw/zinc/67/05/85/418670585.db2.gz DNOMXMNIDZOPBW-SOUVJXGZSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000375668209 418670586 /nfs/dbraw/zinc/67/05/86/418670586.db2.gz DNOMXMNIDZOPBW-SOUVJXGZSA-N 1 1 303.362 1.290 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000368063183 418682623 /nfs/dbraw/zinc/68/26/23/418682623.db2.gz MLSLBHXJOMLPQM-QWHCGFSZSA-N 1 1 319.361 1.561 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372470060 418873730 /nfs/dbraw/zinc/87/37/30/418873730.db2.gz CZNCTTYBUZLTBH-GHMZBOCLSA-N 1 1 305.334 1.657 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000411511613 418911168 /nfs/dbraw/zinc/91/11/68/418911168.db2.gz ZDSQPOBWDZISAM-OAHLLOKOSA-N 1 1 323.349 1.007 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943702 418915305 /nfs/dbraw/zinc/91/53/05/418915305.db2.gz CFPNLPUTFBOTBO-ZIAGYGMSSA-N 1 1 319.361 1.496 20 5 DDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1C ZINC000421000181 419434267 /nfs/dbraw/zinc/43/42/67/419434267.db2.gz KANZSJACSKSMHN-GJZGRUSLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000181 419434273 /nfs/dbraw/zinc/43/42/73/419434273.db2.gz KANZSJACSKSMHN-GJZGRUSLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000181 419434284 /nfs/dbraw/zinc/43/42/84/419434284.db2.gz KANZSJACSKSMHN-GJZGRUSLSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418112747 419542030 /nfs/dbraw/zinc/54/20/30/419542030.db2.gz LNOXLYBBJPMREP-ZIAGYGMSSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000418122948 419553294 /nfs/dbraw/zinc/55/32/94/419553294.db2.gz YGKIXUWHGVKXNG-KBPBESRZSA-N 1 1 307.394 1.790 20 5 DDBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188143 419613577 /nfs/dbraw/zinc/61/35/77/419613577.db2.gz WZAHFBFQEGKILY-KBPBESRZSA-N 1 1 308.382 1.663 20 5 DDBDMO COc1c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421711923 419697859 /nfs/dbraw/zinc/69/78/59/419697859.db2.gz PKHYHDPDUDAWGP-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000413276509 419779585 /nfs/dbraw/zinc/77/95/85/419779585.db2.gz FODBTCJDICGQHH-UHFFFAOYSA-N 1 1 320.397 1.479 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000299561416 229210150 /nfs/dbraw/zinc/21/01/50/229210150.db2.gz UBBVREAHYMURGW-MRVPVSSYSA-N 1 1 306.326 1.197 20 5 DDBDMO CCCn1cc[nH+]c1CCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000429239968 419991538 /nfs/dbraw/zinc/99/15/38/419991538.db2.gz SAXZTVHPJUAWLN-UHFFFAOYSA-N 1 1 320.397 1.999 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(F)(F)C[NH3+] ZINC000423325566 420014267 /nfs/dbraw/zinc/01/42/67/420014267.db2.gz LQGXIDWWZOCRAN-SECBINFHSA-N 1 1 316.308 1.496 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CN ZINC000420290193 420184878 /nfs/dbraw/zinc/18/48/78/420184878.db2.gz LMSPBEDFMLCXRQ-IUODEOHRSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CN ZINC000420290193 420184880 /nfs/dbraw/zinc/18/48/80/420184880.db2.gz LMSPBEDFMLCXRQ-IUODEOHRSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430940743 420216657 /nfs/dbraw/zinc/21/66/57/420216657.db2.gz QVIWFIOZHAPQQT-RYUDHWBXSA-N 1 1 306.366 1.593 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228305 420251694 /nfs/dbraw/zinc/25/16/94/420251694.db2.gz OJZOZNGWYMZMKJ-DOTOQJQBSA-N 1 1 319.405 1.973 20 5 DDBDMO CN1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228305 420251699 /nfs/dbraw/zinc/25/16/99/420251699.db2.gz OJZOZNGWYMZMKJ-DOTOQJQBSA-N 1 1 319.405 1.973 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000433847088 420255932 /nfs/dbraw/zinc/25/59/32/420255932.db2.gz CMMMJRVOHNNBAT-WDEREUQCSA-N 1 1 321.381 1.798 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416303859 420321939 /nfs/dbraw/zinc/32/19/39/420321939.db2.gz HMXGOVLBYDOHJA-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060285 420325582 /nfs/dbraw/zinc/32/55/82/420325582.db2.gz VFHHBTXHDRHAGR-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060285 420325587 /nfs/dbraw/zinc/32/55/87/420325587.db2.gz VFHHBTXHDRHAGR-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060285 420325590 /nfs/dbraw/zinc/32/55/90/420325590.db2.gz VFHHBTXHDRHAGR-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000446048743 230221969 /nfs/dbraw/zinc/22/19/69/230221969.db2.gz VXWPDXRZHYJRLF-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)nc1 ZINC000438096546 420438994 /nfs/dbraw/zinc/43/89/94/420438994.db2.gz OWDGXCZLZIKYRK-QWHCGFSZSA-N 1 1 306.366 1.903 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000439520773 420520607 /nfs/dbraw/zinc/52/06/07/420520607.db2.gz AFZKJMIHBUDOON-UHFFFAOYSA-N 1 1 318.337 1.426 20 5 DDBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H](C)[N@@H+]1CCO ZINC000450796931 420533169 /nfs/dbraw/zinc/53/31/69/420533169.db2.gz RNWOFKYZCHPCGM-TXEJJXNPSA-N 1 1 320.393 1.454 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492988041 420728029 /nfs/dbraw/zinc/72/80/29/420728029.db2.gz NPYRFTZVECOGRS-FMFIFOJESA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492988041 420728033 /nfs/dbraw/zinc/72/80/33/420728033.db2.gz NPYRFTZVECOGRS-FMFIFOJESA-N 1 1 319.361 1.133 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000447816465 420804684 /nfs/dbraw/zinc/80/46/84/420804684.db2.gz KYQMNOQDZMHFPG-LBPRGKRZSA-N 1 1 321.381 1.621 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000454735377 420917509 /nfs/dbraw/zinc/91/75/09/420917509.db2.gz KHAWYYBNRWHFIJ-LLVKDONJSA-N 1 1 321.381 1.636 20 5 DDBDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449442822 421012753 /nfs/dbraw/zinc/01/27/53/421012753.db2.gz NDMSLRSXMZKMGO-SECBINFHSA-N 1 1 307.397 1.074 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450321401 421183038 /nfs/dbraw/zinc/18/30/38/421183038.db2.gz RWUQYTJWMMEMHS-UHFFFAOYSA-N 1 1 315.333 1.420 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000450593997 421213819 /nfs/dbraw/zinc/21/38/19/421213819.db2.gz JWWUYSGXEGVKEX-GFCCVEGCSA-N 1 1 309.366 1.862 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000560978312 421300794 /nfs/dbraw/zinc/30/07/94/421300794.db2.gz AEILUQFFTQCNMB-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000546809470 421311890 /nfs/dbraw/zinc/31/18/90/421311890.db2.gz QRSHPSPOOGWVDJ-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000563399253 421503199 /nfs/dbraw/zinc/50/31/99/421503199.db2.gz QXUXOMXLKKDHBH-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000563399253 421503200 /nfs/dbraw/zinc/50/32/00/421503200.db2.gz QXUXOMXLKKDHBH-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CCn1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000574911959 422212868 /nfs/dbraw/zinc/21/28/68/422212868.db2.gz JRYFUUWOMBXMLG-CYBMUJFWSA-N 1 1 320.349 1.341 20 5 DDBDMO Nc1nccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418492 422348229 /nfs/dbraw/zinc/34/82/29/422348229.db2.gz JMOKFPHYETVWSR-NWDGAFQWSA-N 1 1 319.365 1.319 20 5 DDBDMO Nc1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599125863 422402950 /nfs/dbraw/zinc/40/29/50/422402950.db2.gz DTECERYJSHIECY-LLVKDONJSA-N 1 1 306.370 1.208 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CCCO1 ZINC000578386601 422561008 /nfs/dbraw/zinc/56/10/08/422561008.db2.gz QGCYQDKFOQPMGQ-GFCCVEGCSA-N 1 1 324.381 1.164 20 5 DDBDMO C[C@](O)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000578741027 422635420 /nfs/dbraw/zinc/63/54/20/422635420.db2.gz BMMDREPXNWYHKL-NSHDSACASA-N 1 1 318.255 1.874 20 5 DDBDMO CC(C)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345629823 272293721 /nfs/dbraw/zinc/29/37/21/272293721.db2.gz FAVVDZLPVSCSAW-LLVKDONJSA-N 1 1 307.354 1.001 20 5 DDBDMO CC(C)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345629823 272293722 /nfs/dbraw/zinc/29/37/22/272293722.db2.gz FAVVDZLPVSCSAW-LLVKDONJSA-N 1 1 307.354 1.001 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1F ZINC000275021617 274096491 /nfs/dbraw/zinc/09/64/91/274096491.db2.gz MCEDUHDTZSYKOC-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000331225061 276167580 /nfs/dbraw/zinc/16/75/80/276167580.db2.gz XLPFUVDJYLDVTB-SNVBAGLBSA-N 1 1 309.370 1.655 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000174534492 276209112 /nfs/dbraw/zinc/20/91/12/276209112.db2.gz DTVRJUFHQTUCHU-AWEZNQCLSA-N 1 1 305.334 1.205 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000174534492 276209113 /nfs/dbraw/zinc/20/91/13/276209113.db2.gz DTVRJUFHQTUCHU-AWEZNQCLSA-N 1 1 305.334 1.205 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000301309228 277053883 /nfs/dbraw/zinc/05/38/83/277053883.db2.gz XHLYPROGQZVDKQ-CQSZACIVSA-N 1 1 322.384 1.950 20 5 DDBDMO CNc1nc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425062992 277303738 /nfs/dbraw/zinc/30/37/38/277303738.db2.gz DWURFDYIUGYTDF-GXFFZTMASA-N 1 1 319.365 1.198 20 5 DDBDMO CC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000129971774 281363480 /nfs/dbraw/zinc/36/34/80/281363480.db2.gz WOBDKWAJXZGFHD-AWEZNQCLSA-N 1 1 317.345 1.959 20 5 DDBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367289524 300823153 /nfs/dbraw/zinc/82/31/53/300823153.db2.gz AFMPCADNHBMQMX-JTQLQIEISA-N 1 1 319.695 1.927 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000368352838 301009609 /nfs/dbraw/zinc/00/96/09/301009609.db2.gz XVHIBGJIIUXRKV-GDNZZTSVSA-N 1 1 308.334 1.282 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000368352838 301009610 /nfs/dbraw/zinc/00/96/10/301009610.db2.gz XVHIBGJIIUXRKV-GDNZZTSVSA-N 1 1 308.334 1.282 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC12CCOCC2 ZINC000368898024 301103974 /nfs/dbraw/zinc/10/39/74/301103974.db2.gz VVPNJTVIEPMMBB-CYBMUJFWSA-N 1 1 322.361 1.589 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370148575 301283462 /nfs/dbraw/zinc/28/34/62/301283462.db2.gz BFQHNSYPOOGNPN-KCXAZCMYSA-N 1 1 305.378 1.654 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000538918460 303392267 /nfs/dbraw/zinc/39/22/67/303392267.db2.gz CKZAEYUCECPRGQ-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000538918460 303392268 /nfs/dbraw/zinc/39/22/68/303392268.db2.gz CKZAEYUCECPRGQ-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2CC(F)(F)F)c1=O ZINC000359439959 306954663 /nfs/dbraw/zinc/95/46/63/306954663.db2.gz QCAIGSBWTGOGFN-UHFFFAOYSA-N 1 1 316.239 1.872 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])no1 ZINC000359443318 306954905 /nfs/dbraw/zinc/95/49/05/306954905.db2.gz CJWTVUHBCMXJNH-UHFFFAOYSA-N 1 1 316.317 1.847 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000362390950 307020522 /nfs/dbraw/zinc/02/05/22/307020522.db2.gz FUYZOLMYNROSRX-HNNXBMFYSA-N 1 1 302.334 1.252 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364072937 307041006 /nfs/dbraw/zinc/04/10/06/307041006.db2.gz PZXJKQFVHVAEJY-CABCVRRESA-N 1 1 319.361 1.266 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364072939 307041104 /nfs/dbraw/zinc/04/11/04/307041104.db2.gz PZXJKQFVHVAEJY-HUUCEWRRSA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366304614 307070475 /nfs/dbraw/zinc/07/04/75/307070475.db2.gz ANBYSSWQTDZQJO-VHRBIJSZSA-N 1 1 317.345 1.559 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371555459 307153353 /nfs/dbraw/zinc/15/33/53/307153353.db2.gz UJOFSJKOXGIUOC-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000375047433 307217864 /nfs/dbraw/zinc/21/78/64/307217864.db2.gz DDQQTRDWIAFFNO-GHMZBOCLSA-N 1 1 302.338 1.168 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000378507647 307290536 /nfs/dbraw/zinc/29/05/36/307290536.db2.gz WPDYHAQXBHKEEU-GHMZBOCLSA-N 1 1 302.338 1.168 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000567016853 308068599 /nfs/dbraw/zinc/06/85/99/308068599.db2.gz JAPAFODNMIZBCJ-ZDUSSCGKSA-N 1 1 323.397 1.351 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000567105344 308071097 /nfs/dbraw/zinc/07/10/97/308071097.db2.gz BQVPUARPGJKUJE-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569805246 308149891 /nfs/dbraw/zinc/14/98/91/308149891.db2.gz QYIGVLBVDZLTKC-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000570686449 308176603 /nfs/dbraw/zinc/17/66/03/308176603.db2.gz QWUBXASGZUXKKM-LLVKDONJSA-N 1 1 312.345 1.676 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000570686449 308176604 /nfs/dbraw/zinc/17/66/04/308176604.db2.gz QWUBXASGZUXKKM-LLVKDONJSA-N 1 1 312.345 1.676 20 5 DDBDMO Cc1ocnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576749826 308336717 /nfs/dbraw/zinc/33/67/17/308336717.db2.gz XXEMJBUCBYVMCJ-NSHDSACASA-N 1 1 307.306 1.421 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728933 484215279 /nfs/dbraw/zinc/21/52/79/484215279.db2.gz IVLIYSNHWQLVRT-MBNYWOFBSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330715830 534349199 /nfs/dbraw/zinc/34/91/99/534349199.db2.gz SYXIJMYRMRVWQN-JQWIXIFHSA-N 1 1 313.379 1.327 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330715830 534349203 /nfs/dbraw/zinc/34/92/03/534349203.db2.gz SYXIJMYRMRVWQN-JQWIXIFHSA-N 1 1 313.379 1.327 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645143 534361697 /nfs/dbraw/zinc/36/16/97/534361697.db2.gz XHHSFNPOCAMOQO-SNVBAGLBSA-N 1 1 317.349 1.559 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645143 534361688 /nfs/dbraw/zinc/36/16/88/534361688.db2.gz XHHSFNPOCAMOQO-SNVBAGLBSA-N 1 1 317.349 1.559 20 5 DDBDMO [NH3+]C1CCN(CCCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000433128569 534565710 /nfs/dbraw/zinc/56/57/10/534565710.db2.gz BAXCCIVBQGFUDG-UHFFFAOYSA-N 1 1 320.393 1.414 20 5 DDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000296743038 529354337 /nfs/dbraw/zinc/35/43/37/529354337.db2.gz ASLMAOBBQQQPLH-SNVBAGLBSA-N 1 1 309.370 1.193 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821266280 599146626 /nfs/dbraw/zinc/14/66/26/599146626.db2.gz AHBYSYNQZJGTGY-VIFPVBQESA-N 1 1 318.341 1.066 20 5 DDBDMO CCOCC[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092885172 696597813 /nfs/dbraw/zinc/59/78/13/696597813.db2.gz UEFVOIVCHFHKQC-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO CCOCC[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092885172 696597814 /nfs/dbraw/zinc/59/78/14/696597814.db2.gz UEFVOIVCHFHKQC-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748355616 700113305 /nfs/dbraw/zinc/11/33/05/700113305.db2.gz SLWSGHMHTYTUMD-VIFPVBQESA-N 1 1 322.321 1.588 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748355616 700113307 /nfs/dbraw/zinc/11/33/07/700113307.db2.gz SLWSGHMHTYTUMD-VIFPVBQESA-N 1 1 322.321 1.588 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC1CC1)C2 ZINC000982278731 697082159 /nfs/dbraw/zinc/08/21/59/697082159.db2.gz QGGJIFDWIINFOQ-XOUADPBQSA-N 1 1 307.394 1.232 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CC1)C2 ZINC000982278731 697082161 /nfs/dbraw/zinc/08/21/61/697082161.db2.gz QGGJIFDWIINFOQ-XOUADPBQSA-N 1 1 307.394 1.232 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC1CC1)C2 ZINC000982278731 697082163 /nfs/dbraw/zinc/08/21/63/697082163.db2.gz QGGJIFDWIINFOQ-XOUADPBQSA-N 1 1 307.394 1.232 20 5 DDBDMO Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000983649648 697286343 /nfs/dbraw/zinc/28/63/43/697286343.db2.gz PXPWLEPOTFBKTL-NMFUWQPSSA-N 1 1 318.377 1.040 20 5 DDBDMO CCC[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000159834019 697312447 /nfs/dbraw/zinc/31/24/47/697312447.db2.gz KGDBIGRZSNJZPO-ZDUSSCGKSA-N 1 1 311.386 1.182 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582116 698121004 /nfs/dbraw/zinc/12/10/04/698121004.db2.gz QNUIPDIIELLOCW-NHYWBVRUSA-N 1 1 322.361 1.902 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581312 698121261 /nfs/dbraw/zinc/12/12/61/698121261.db2.gz CIXQDFVVUYMATI-HUUCEWRRSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581312 698121262 /nfs/dbraw/zinc/12/12/62/698121262.db2.gz CIXQDFVVUYMATI-HUUCEWRRSA-N 1 1 319.361 1.371 20 5 DDBDMO C[C@H]1[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719624986 699302963 /nfs/dbraw/zinc/30/29/63/699302963.db2.gz NLCCIGVLSLZIMT-CBAPKCEASA-N 1 1 315.171 1.679 20 5 DDBDMO C[C@H]1[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000719624986 699302966 /nfs/dbraw/zinc/30/29/66/699302966.db2.gz NLCCIGVLSLZIMT-CBAPKCEASA-N 1 1 315.171 1.679 20 5 DDBDMO O=C1CN(C[NH+]2CCCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726582661 699369078 /nfs/dbraw/zinc/36/90/78/699369078.db2.gz FRXJRPPVBGSGIN-UHFFFAOYSA-N 1 1 318.333 1.807 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000732060746 699545031 /nfs/dbraw/zinc/54/50/31/699545031.db2.gz SUGPUZJHEZENTE-LLVKDONJSA-N 1 1 317.349 1.012 20 5 DDBDMO COC(=O)c1cnc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000790773814 699596379 /nfs/dbraw/zinc/59/63/79/699596379.db2.gz ZAYJQKMHSCKZKK-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000793745386 699776069 /nfs/dbraw/zinc/77/60/69/699776069.db2.gz ODFUBEHFDMJXGN-MRXNPFEDSA-N 1 1 315.377 1.930 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751951366 700329496 /nfs/dbraw/zinc/32/94/96/700329496.db2.gz TVGCNHYJPYNOHR-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751951366 700329500 /nfs/dbraw/zinc/32/95/00/700329500.db2.gz TVGCNHYJPYNOHR-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000802138251 700371327 /nfs/dbraw/zinc/37/13/27/700371327.db2.gz CRZVQUCRFXPMLO-NSHDSACASA-N 1 1 311.338 1.199 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802141598 700372666 /nfs/dbraw/zinc/37/26/66/700372666.db2.gz XPUHFYDNMJHTGY-AWEZNQCLSA-N 1 1 322.361 1.790 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000771404461 701318677 /nfs/dbraw/zinc/31/86/77/701318677.db2.gz JCWZYHCBJGRYQF-ZJUUUORDSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000771404461 701318678 /nfs/dbraw/zinc/31/86/78/701318678.db2.gz JCWZYHCBJGRYQF-ZJUUUORDSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839696359 701787825 /nfs/dbraw/zinc/78/78/25/701787825.db2.gz QRCPFOHZFWNPPX-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696359 701787829 /nfs/dbraw/zinc/78/78/29/701787829.db2.gz QRCPFOHZFWNPPX-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696359 701787834 /nfs/dbraw/zinc/78/78/34/701787834.db2.gz QRCPFOHZFWNPPX-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839759863 701814127 /nfs/dbraw/zinc/81/41/27/701814127.db2.gz DSWSKDCVFRFDCM-MGPQQGTHSA-N 1 1 307.350 1.079 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810839421 701859921 /nfs/dbraw/zinc/85/99/21/701859921.db2.gz AYZLUZILNCPNHH-QWHCGFSZSA-N 1 1 322.365 1.660 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000868062291 701920395 /nfs/dbraw/zinc/92/03/95/701920395.db2.gz KJWFUVRYWCCNCI-KBPBESRZSA-N 1 1 318.377 1.830 20 5 DDBDMO C[C@@H]1CCN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000840057948 701943060 /nfs/dbraw/zinc/94/30/60/701943060.db2.gz GRFKDHASNPDNQE-LLVKDONJSA-N 1 1 307.354 1.254 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868160302 701970259 /nfs/dbraw/zinc/97/02/59/701970259.db2.gz DUDFEYCUOQJVJH-ZFWWWQNUSA-N 1 1 318.377 1.830 20 5 DDBDMO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844386581 703024103 /nfs/dbraw/zinc/02/41/03/703024103.db2.gz OEYJLUQDGMRKQP-UHFFFAOYSA-N 1 1 309.278 1.688 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436527 704048158 /nfs/dbraw/zinc/04/81/58/704048158.db2.gz INPYGQXUUOINRZ-UONOGXRCSA-N 1 1 321.333 1.155 20 5 DDBDMO CCC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870911416 704165226 /nfs/dbraw/zinc/16/52/26/704165226.db2.gz WDHOJYJLLRSPSC-HOCLYGCPSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851034 705204156 /nfs/dbraw/zinc/20/41/56/705204156.db2.gz ZCGGRJPAIMYLEC-CHWSQXEVSA-N 1 1 319.361 1.669 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860826878 705293504 /nfs/dbraw/zinc/29/35/04/705293504.db2.gz PTVPFQICQXKUKV-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO Cc1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000876169422 705646978 /nfs/dbraw/zinc/64/69/78/705646978.db2.gz WNANJSALLYBQKN-UHFFFAOYSA-N 1 1 318.377 1.964 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827363506 705985345 /nfs/dbraw/zinc/98/53/45/705985345.db2.gz BBEAWCZSVYSKJX-DOMZBBRYSA-N 1 1 319.361 1.526 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000878046522 706274081 /nfs/dbraw/zinc/27/40/81/706274081.db2.gz BQJQSEVPJXHPCE-LBPRGKRZSA-N 1 1 310.354 1.327 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000878046522 706274082 /nfs/dbraw/zinc/27/40/82/706274082.db2.gz BQJQSEVPJXHPCE-LBPRGKRZSA-N 1 1 310.354 1.327 20 5 DDBDMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880071183 706870231 /nfs/dbraw/zinc/87/02/31/706870231.db2.gz WAHSLYZSWVELPM-UONOGXRCSA-N 1 1 321.377 1.244 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134675 706887132 /nfs/dbraw/zinc/88/71/32/706887132.db2.gz OIYAJPRLQNJLJW-HUUCEWRRSA-N 1 1 318.377 1.702 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433023 706974524 /nfs/dbraw/zinc/97/45/24/706974524.db2.gz SSEABQYWVCCHAV-SOUVJXGZSA-N 1 1 310.350 1.364 20 5 DDBDMO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037365 707283958 /nfs/dbraw/zinc/28/39/58/707283958.db2.gz DXKZMSOADNBBLI-LLVKDONJSA-N 1 1 311.357 1.841 20 5 DDBDMO O=C1CC2(CCOCC2)[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000872287072 707366103 /nfs/dbraw/zinc/36/61/03/707366103.db2.gz GRHOLNVBITYBBM-UHFFFAOYSA-N 1 1 319.361 1.466 20 5 DDBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000872287072 707366106 /nfs/dbraw/zinc/36/61/06/707366106.db2.gz GRHOLNVBITYBBM-UHFFFAOYSA-N 1 1 319.361 1.466 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000882478847 707649639 /nfs/dbraw/zinc/64/96/39/707649639.db2.gz GXFJHHPTFRUOPC-ZDUSSCGKSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220416 708258768 /nfs/dbraw/zinc/25/87/68/708258768.db2.gz AYBTWJRBMLILOM-OLZOCXBDSA-N 1 1 306.366 1.334 20 5 DDBDMO COc1cccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222341 708259957 /nfs/dbraw/zinc/25/99/57/708259957.db2.gz UQGGXSVURIMMGA-CHWSQXEVSA-N 1 1 321.377 1.639 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000885854670 708639777 /nfs/dbraw/zinc/63/97/77/708639777.db2.gz BGFAUJCAMCSXCK-LLVKDONJSA-N 1 1 309.322 1.171 20 5 DDBDMO O=C([C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886006210 708680538 /nfs/dbraw/zinc/68/05/38/708680538.db2.gz OPRCKTIAHXVMCG-CQSZACIVSA-N 1 1 318.377 1.824 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@]2(C)C1 ZINC000887927826 709166885 /nfs/dbraw/zinc/16/68/85/709166885.db2.gz KTUNWOAKFDHYNZ-PSLIRLAXSA-N 1 1 322.340 1.340 20 5 DDBDMO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900099692 709288711 /nfs/dbraw/zinc/28/87/11/709288711.db2.gz TUUCTOQLYRSREQ-AWEZNQCLSA-N 1 1 317.345 1.205 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000892176466 710388539 /nfs/dbraw/zinc/38/85/39/710388539.db2.gz VHVFXTUVEAZCGO-OAHLLOKOSA-N 1 1 308.334 1.921 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913295179 713193873 /nfs/dbraw/zinc/19/38/73/713193873.db2.gz RMEYXKMRQMEBFY-IYBDPMFKSA-N 1 1 318.377 1.591 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893942026 710894604 /nfs/dbraw/zinc/89/46/04/710894604.db2.gz YQFCSHAPEIVHQU-CMPLNLGQSA-N 1 1 320.349 1.225 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318418 711095625 /nfs/dbraw/zinc/09/56/25/711095625.db2.gz PMQIJENKOFUFDS-CABCVRRESA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318418 711095631 /nfs/dbraw/zinc/09/56/31/711095631.db2.gz PMQIJENKOFUFDS-CABCVRRESA-N 1 1 315.377 1.711 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000928570536 713233063 /nfs/dbraw/zinc/23/30/63/713233063.db2.gz FIYMCBNFEKWUPM-AWEZNQCLSA-N 1 1 303.362 1.837 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000928570536 713233064 /nfs/dbraw/zinc/23/30/64/713233064.db2.gz FIYMCBNFEKWUPM-AWEZNQCLSA-N 1 1 303.362 1.837 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000895386249 711500140 /nfs/dbraw/zinc/50/01/40/711500140.db2.gz PIUCGUBEOSRVSC-NHYWBVRUSA-N 1 1 308.334 1.777 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000896524902 711738108 /nfs/dbraw/zinc/73/81/08/711738108.db2.gz XPDYWZYCPMKSCQ-ZDUSSCGKSA-N 1 1 306.366 1.842 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000914432471 713395017 /nfs/dbraw/zinc/39/50/17/713395017.db2.gz VJBXLMUECYTLMT-BETUJISGSA-N 1 1 305.334 1.279 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000914432471 713395019 /nfs/dbraw/zinc/39/50/19/713395019.db2.gz VJBXLMUECYTLMT-BETUJISGSA-N 1 1 305.334 1.279 20 5 DDBDMO C[N@H+]1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929224037 713570631 /nfs/dbraw/zinc/57/06/31/713570631.db2.gz HERJQKIVLBGACK-UHFFFAOYSA-N 1 1 309.341 1.831 20 5 DDBDMO CCOC(=O)c1cnn(C2CC[NH+](CC[N+](=O)[O-])CC2)c1C ZINC000930438364 713835075 /nfs/dbraw/zinc/83/50/75/713835075.db2.gz MAZXMRCDBXZMLG-UHFFFAOYSA-N 1 1 310.354 1.282 20 5 DDBDMO CN(C)[C@@H]1[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931276409 714054749 /nfs/dbraw/zinc/05/47/49/714054749.db2.gz HQRZIALUTXXACB-ZSHCYNCHSA-N 1 1 305.378 1.856 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933684395 714647894 /nfs/dbraw/zinc/64/78/94/714647894.db2.gz ARKIRYPUHBUNEN-ZIAGYGMSSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933684395 714647896 /nfs/dbraw/zinc/64/78/96/714647896.db2.gz ARKIRYPUHBUNEN-ZIAGYGMSSA-N 1 1 324.381 1.370 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000351508208 719250572 /nfs/dbraw/zinc/25/05/72/719250572.db2.gz GKEJBALPRLSIPC-MNOVXSKESA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000351508208 719250574 /nfs/dbraw/zinc/25/05/74/719250574.db2.gz GKEJBALPRLSIPC-MNOVXSKESA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1cc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001164665844 719385019 /nfs/dbraw/zinc/38/50/19/719385019.db2.gz IWTBKWUDDFDAPD-ZJUUUORDSA-N 1 1 312.757 1.471 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932528 721853695 /nfs/dbraw/zinc/85/36/95/721853695.db2.gz YQVAGGKZVBCUMK-QWHCGFSZSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932528 721853696 /nfs/dbraw/zinc/85/36/96/721853696.db2.gz YQVAGGKZVBCUMK-QWHCGFSZSA-N 1 1 305.382 1.204 20 5 DDBDMO Cc1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164965796 722068945 /nfs/dbraw/zinc/06/89/45/722068945.db2.gz NMSCYYQRDQGQQU-OKILXGFUSA-N 1 1 318.377 1.598 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001120873812 782201200 /nfs/dbraw/zinc/20/12/00/782201200.db2.gz GYEXGHRHKQUKQF-WBMJQRKESA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001120873812 782201210 /nfs/dbraw/zinc/20/12/10/782201210.db2.gz GYEXGHRHKQUKQF-WBMJQRKESA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001120873812 782201220 /nfs/dbraw/zinc/20/12/20/782201220.db2.gz GYEXGHRHKQUKQF-WBMJQRKESA-N 1 1 322.409 1.787 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001121199292 782406193 /nfs/dbraw/zinc/40/61/93/782406193.db2.gz NWIVISKYVGODAB-CUOATXAZSA-N 1 1 307.325 1.804 20 5 DDBDMO O=c1cc([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]c(=O)[nH]1 ZINC001195694451 746680568 /nfs/dbraw/zinc/68/05/68/746680568.db2.gz MTYNGVDQMXJPRB-VIFPVBQESA-N 1 1 322.346 1.847 20 5 DDBDMO O=c1cc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]c(=O)[nH]1 ZINC001195694451 746680571 /nfs/dbraw/zinc/68/05/71/746680571.db2.gz MTYNGVDQMXJPRB-VIFPVBQESA-N 1 1 322.346 1.847 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001196952428 747018050 /nfs/dbraw/zinc/01/80/50/747018050.db2.gz HDTLOXMREJVLPU-CQSZACIVSA-N 1 1 318.333 1.126 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccn[nH]1 ZINC001031558348 747027023 /nfs/dbraw/zinc/02/70/23/747027023.db2.gz VVJXBEKBHSCXHP-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001198362459 747464162 /nfs/dbraw/zinc/46/41/62/747464162.db2.gz GATRMTNVZVDJGO-NSHDSACASA-N 1 1 322.365 1.380 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997770943 751268441 /nfs/dbraw/zinc/26/84/41/751268441.db2.gz CVQRRTPOPPAQDM-CHWSQXEVSA-N 1 1 324.406 1.137 20 5 DDBDMO O=C(c1ccco1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007155 762174706 /nfs/dbraw/zinc/17/47/06/762174706.db2.gz LOHCKSDVOTZOBN-QWHCGFSZSA-N 1 1 307.350 1.483 20 5 DDBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006727 762174878 /nfs/dbraw/zinc/17/48/78/762174878.db2.gz JFUJKXQMEJKKLJ-NWDGAFQWSA-N 1 1 301.387 1.888 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000823754176 758347596 /nfs/dbraw/zinc/34/75/96/758347596.db2.gz VTGZIWCTSDFSTC-BETUJISGSA-N 1 1 321.402 1.992 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000823754176 758347611 /nfs/dbraw/zinc/34/76/11/758347611.db2.gz VTGZIWCTSDFSTC-BETUJISGSA-N 1 1 321.402 1.992 20 5 DDBDMO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020138886 760612995 /nfs/dbraw/zinc/61/29/95/760612995.db2.gz GNULRKCVNQEIFE-QHSBEEBCSA-N 1 1 319.361 1.097 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363191 761492862 /nfs/dbraw/zinc/49/28/62/761492862.db2.gz GYYHEMQMAVEMDK-NMFUWQPSSA-N 1 1 321.352 1.475 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109463505 763732087 /nfs/dbraw/zinc/73/20/87/763732087.db2.gz LMMDDYJBWQLWSL-UHFFFAOYSA-N 1 1 323.397 1.590 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329369 766255102 /nfs/dbraw/zinc/25/51/02/766255102.db2.gz PMPRZXWUOCNROL-IAQYHMDHSA-N 1 1 312.341 1.941 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329369 766255104 /nfs/dbraw/zinc/25/51/04/766255104.db2.gz PMPRZXWUOCNROL-IAQYHMDHSA-N 1 1 312.341 1.941 20 5 DDBDMO CSc1nc(Cl)nc(N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001159784946 771926454 /nfs/dbraw/zinc/92/64/54/771926454.db2.gz MWIDWOMWEDEIHC-YFKPBYRVSA-N 1 1 306.779 1.196 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093840556 775125936 /nfs/dbraw/zinc/12/59/36/775125936.db2.gz MUITXOLJWBGNGF-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ncccc1[N+](=O)[O-])CC(C)(C)C ZINC001094141397 775525616 /nfs/dbraw/zinc/52/56/16/775525616.db2.gz UPYXCDZCPFHLPQ-UHFFFAOYSA-N 1 1 323.397 1.496 20 5 DDBDMO Cc1ccc(N(C)CCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001100149704 775735223 /nfs/dbraw/zinc/73/52/23/775735223.db2.gz LZZHZFDHMXKVEC-UHFFFAOYSA-N 1 1 322.409 1.796 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233803 777064867 /nfs/dbraw/zinc/06/48/67/777064867.db2.gz YXFMNWGBDDMDQN-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233803 777064872 /nfs/dbraw/zinc/06/48/72/777064872.db2.gz YXFMNWGBDDMDQN-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN1CCN(C)CC1 ZINC001173234049 777065071 /nfs/dbraw/zinc/06/50/71/777065071.db2.gz OYZLGNAIVSHZSO-HNNXBMFYSA-N 1 1 320.437 1.705 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CCN(C)CC1 ZINC001173234049 777065076 /nfs/dbraw/zinc/06/50/76/777065076.db2.gz OYZLGNAIVSHZSO-HNNXBMFYSA-N 1 1 320.437 1.705 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243240 778092008 /nfs/dbraw/zinc/09/20/08/778092008.db2.gz NJRVTAPAOYXVHT-IINYFYTJSA-N 1 1 324.337 1.602 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243240 778092017 /nfs/dbraw/zinc/09/20/17/778092017.db2.gz NJRVTAPAOYXVHT-IINYFYTJSA-N 1 1 324.337 1.602 20 5 DDBDMO COc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC001179525191 779395555 /nfs/dbraw/zinc/39/55/55/779395555.db2.gz KPIALYOEUYQRRP-UKRRQHHQSA-N 1 1 322.317 1.381 20 5 DDBDMO C[N@H+](CCNC(=O)Cc1cnoc1)Cc1ccccc1[N+](=O)[O-] ZINC001266313561 836103465 /nfs/dbraw/zinc/10/34/65/836103465.db2.gz LUOHTILEVMDLKK-UHFFFAOYSA-N 1 1 318.333 1.374 20 5 DDBDMO C[N@@H+](CCNC(=O)Cc1cnoc1)Cc1ccccc1[N+](=O)[O-] ZINC001266313561 836103467 /nfs/dbraw/zinc/10/34/67/836103467.db2.gz LUOHTILEVMDLKK-UHFFFAOYSA-N 1 1 318.333 1.374 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC001328044646 862655938 /nfs/dbraw/zinc/65/59/38/862655938.db2.gz LOAQGQVZCLLYNV-WDMOLILDSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC001328044646 862655943 /nfs/dbraw/zinc/65/59/43/862655943.db2.gz LOAQGQVZCLLYNV-WDMOLILDSA-N 1 1 307.350 1.179 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001122733052 858951644 /nfs/dbraw/zinc/95/16/44/858951644.db2.gz WJLPDSCDCIPOKJ-OLZOCXBDSA-N 1 1 322.413 1.241 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157282400 863708851 /nfs/dbraw/zinc/70/88/51/863708851.db2.gz NBWPIYZLELCEHC-ZWNOBZJWSA-N 1 1 320.349 1.307 20 5 DDBDMO O=C(NCCC[NH2+]Cc1csc(C2CC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761587 864111590 /nfs/dbraw/zinc/11/15/90/864111590.db2.gz SNWLGLOYYOGTPD-VXGBXAGGSA-N 1 1 324.406 1.282 20 5 DDBDMO [NH3+]Cc1ncn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC001157931389 864277170 /nfs/dbraw/zinc/27/71/70/864277170.db2.gz KCAUOOKMZUUPDE-UHFFFAOYSA-N 1 1 314.280 1.835 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCNS(C)(=O)=O ZINC001331043190 864798319 /nfs/dbraw/zinc/79/83/19/864798319.db2.gz UCSCOLWZFJSOEC-UHFFFAOYSA-N 1 1 315.395 1.193 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCNS(C)(=O)=O ZINC001331043190 864798324 /nfs/dbraw/zinc/79/83/24/864798324.db2.gz UCSCOLWZFJSOEC-UHFFFAOYSA-N 1 1 315.395 1.193 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001332403323 865816116 /nfs/dbraw/zinc/81/61/16/865816116.db2.gz PVVNHMYDBNDLAQ-YGRLFVJLSA-N 1 1 304.350 1.713 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)no1 ZINC001320247423 866586280 /nfs/dbraw/zinc/58/62/80/866586280.db2.gz RHSGYDYLDYXBHD-UHFFFAOYSA-N 1 1 304.306 1.574 20 5 DDBDMO CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001162690167 867737601 /nfs/dbraw/zinc/73/76/01/867737601.db2.gz TUQRCHNNYKBRFU-LBPRGKRZSA-N 1 1 320.393 1.325 20 5 DDBDMO CN1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001162690167 867737607 /nfs/dbraw/zinc/73/76/07/867737607.db2.gz TUQRCHNNYKBRFU-LBPRGKRZSA-N 1 1 320.393 1.325 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC([NH2+]C3COC3)C2)c(C(F)(F)F)c1 ZINC001164220662 869030364 /nfs/dbraw/zinc/03/03/64/869030364.db2.gz KCIHSWBTJKNQEL-UHFFFAOYSA-N 1 1 318.255 1.186 20 5 DDBDMO Cc1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001164491023 869229540 /nfs/dbraw/zinc/22/95/40/869229540.db2.gz XSKUJUGLHPNLPH-CHWSQXEVSA-N 1 1 322.365 1.024 20 5 DDBDMO COCC[NH+](CCOC)C1CN(c2ccsc2[N+](=O)[O-])C1 ZINC001337204094 869378438 /nfs/dbraw/zinc/37/84/38/869378438.db2.gz ZFWMOHIVWDEWEB-UHFFFAOYSA-N 1 1 315.395 1.440 20 5 DDBDMO CC(=O)c1c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085167 869791297 /nfs/dbraw/zinc/79/12/97/869791297.db2.gz VLQABJDAHZELAA-XHDPSFHLSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1c(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085167 869791302 /nfs/dbraw/zinc/79/13/02/869791302.db2.gz VLQABJDAHZELAA-XHDPSFHLSA-N 1 1 320.393 1.844 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226441554 882434549 /nfs/dbraw/zinc/43/45/49/882434549.db2.gz RICWHBLAMLCOBC-SNVBAGLBSA-N 1 1 324.333 1.863 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001303469074 871125693 /nfs/dbraw/zinc/12/56/93/871125693.db2.gz IVCHJDKAZBOOQM-UHFFFAOYSA-N 1 1 317.349 1.825 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H]1C[N@@H+](C)CCN1C ZINC001348311188 874476011 /nfs/dbraw/zinc/47/60/11/874476011.db2.gz GOTGLUQOPDFAET-CABZTGNLSA-N 1 1 311.361 1.362 20 5 DDBDMO COCCCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001234397368 887934487 /nfs/dbraw/zinc/93/44/87/887934487.db2.gz BMRGYSLWMXBNOM-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001254559141 896501680 /nfs/dbraw/zinc/50/16/80/896501680.db2.gz IXFJFTUYSWLKFX-UBHSHLNASA-N 1 1 303.362 1.594 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001254564399 896501949 /nfs/dbraw/zinc/50/19/49/896501949.db2.gz LNDLKGKDQROGFX-GXTWGEPZSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001254564399 896501959 /nfs/dbraw/zinc/50/19/59/896501959.db2.gz LNDLKGKDQROGFX-GXTWGEPZSA-N 1 1 319.361 1.069 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@]3(CCOC3)C1)C2 ZINC001254593219 896522095 /nfs/dbraw/zinc/52/20/95/896522095.db2.gz KAUNHDMLNPFOCF-JKSUJKDBSA-N 1 1 304.346 1.553 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](n3ccnn3)C1)C2 ZINC001254610583 896530147 /nfs/dbraw/zinc/53/01/47/896530147.db2.gz LHJAHDMAQCYOQT-HOTGVXAUSA-N 1 1 313.361 1.991 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001293263420 914377796 /nfs/dbraw/zinc/37/77/96/914377796.db2.gz YABBBJJWOWAWOS-LLVKDONJSA-N 1 1 304.350 1.391 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CCc2occc21 ZINC001263073233 900482066 /nfs/dbraw/zinc/48/20/66/900482066.db2.gz WKKCOMYAEOJKDX-AWEZNQCLSA-N 1 1 301.302 1.691 20 5 DDBDMO COc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001295474642 915834095 /nfs/dbraw/zinc/83/40/95/915834095.db2.gz GKDJMSGNEMXKBT-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CO ZINC000248865541 282113201 /nfs/dbraw/zinc/11/32/01/282113201.db2.gz AVQZUULGYJRHQY-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000249096364 282132682 /nfs/dbraw/zinc/13/26/82/282132682.db2.gz YFDBCFIEXUHSBK-LBPRGKRZSA-N 1 1 308.382 1.580 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334530 231070140 /nfs/dbraw/zinc/07/01/40/231070140.db2.gz BVFUGYKBVKEADN-OUCADQQQSA-N 1 1 308.382 1.844 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1O ZINC000249590447 282179493 /nfs/dbraw/zinc/17/94/93/282179493.db2.gz VGJPRKOGAFGXNM-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1O ZINC000249590447 282179496 /nfs/dbraw/zinc/17/94/96/282179496.db2.gz VGJPRKOGAFGXNM-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452136608 231317447 /nfs/dbraw/zinc/31/74/47/231317447.db2.gz YSWUJQZHDXKHCC-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452136608 231317451 /nfs/dbraw/zinc/31/74/51/231317451.db2.gz YSWUJQZHDXKHCC-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512317 185299694 /nfs/dbraw/zinc/29/96/94/185299694.db2.gz JCTHXVYRTIULNO-UHFFFAOYSA-N 1 1 317.345 1.897 20 5 DDBDMO CCOC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549242 185302365 /nfs/dbraw/zinc/30/23/65/185302365.db2.gz TUJQOAGNSNJDSH-CYBMUJFWSA-N 1 1 309.366 1.505 20 5 DDBDMO C[N@@H+](CCC(N)=O)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000286625507 219091082 /nfs/dbraw/zinc/09/10/82/219091082.db2.gz XWOJDQGEIMINRL-UHFFFAOYSA-N 1 1 318.333 1.600 20 5 DDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330618914 530019283 /nfs/dbraw/zinc/01/92/83/530019283.db2.gz YGZBYZNGGZPGGZ-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330618914 530019284 /nfs/dbraw/zinc/01/92/84/530019284.db2.gz YGZBYZNGGZPGGZ-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000358395660 299142021 /nfs/dbraw/zinc/14/20/21/299142021.db2.gz PGRGLIJPBIOLBN-CYBMUJFWSA-N 1 1 307.325 1.583 20 5 DDBDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138649610 186018232 /nfs/dbraw/zinc/01/82/32/186018232.db2.gz ARJHYFJUWAIJNK-GMTAPVOTSA-N 1 1 309.370 1.414 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000152521566 186081626 /nfs/dbraw/zinc/08/16/26/186081626.db2.gz BPDQHKDIZRVPIR-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266842761 186356244 /nfs/dbraw/zinc/35/62/44/186356244.db2.gz OXQWMJQELPVTIY-UHFFFAOYSA-N 1 1 317.349 1.642 20 5 DDBDMO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000047295366 352489557 /nfs/dbraw/zinc/48/95/57/352489557.db2.gz BQBZVMXICACNEW-UONOGXRCSA-N 1 1 309.410 1.957 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052875304 352630119 /nfs/dbraw/zinc/63/01/19/352630119.db2.gz LQIVUAMKTWYXFM-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000054925855 352710433 /nfs/dbraw/zinc/71/04/33/352710433.db2.gz LHQRTSYUYYVJIJ-GHMZBOCLSA-N 1 1 324.381 1.541 20 5 DDBDMO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000053968487 352674183 /nfs/dbraw/zinc/67/41/83/352674183.db2.gz ABDUDTMYONNUPN-CVEARBPZSA-N 1 1 317.389 1.741 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)(F)F ZINC000057742780 352826705 /nfs/dbraw/zinc/82/67/05/352826705.db2.gz ATCADQIPEYMACM-UHFFFAOYSA-N 1 1 302.212 1.564 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374575 353046128 /nfs/dbraw/zinc/04/61/28/353046128.db2.gz DMYDJBKDOQKKMM-KBPBESRZSA-N 1 1 305.334 1.157 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC[C@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374575 353046133 /nfs/dbraw/zinc/04/61/33/353046133.db2.gz DMYDJBKDOQKKMM-KBPBESRZSA-N 1 1 305.334 1.157 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000072713230 353210659 /nfs/dbraw/zinc/21/06/59/353210659.db2.gz RUYSNIBRBBOFEC-NSHDSACASA-N 1 1 309.366 1.935 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000072830759 353219520 /nfs/dbraw/zinc/21/95/20/353219520.db2.gz UACFNEQOGLDTFM-MRXNPFEDSA-N 1 1 319.361 1.576 20 5 DDBDMO Cn1nnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000494388671 282889243 /nfs/dbraw/zinc/88/92/43/282889243.db2.gz WKMPVXAYLZLOMX-LBPRGKRZSA-N 1 1 302.338 1.229 20 5 DDBDMO Cc1cc(NC2CC[NH+](CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074740238 353327731 /nfs/dbraw/zinc/32/77/31/353327731.db2.gz XLUBSCAGRXNMQS-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000174665999 198367416 /nfs/dbraw/zinc/36/74/16/198367416.db2.gz KKXOCHSZMFCZEN-OAHLLOKOSA-N 1 1 317.349 1.212 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CCO1 ZINC000079427314 353561067 /nfs/dbraw/zinc/56/10/67/353561067.db2.gz DRTZLMWKWCLPDI-NSHDSACASA-N 1 1 322.365 1.248 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091478069 353827105 /nfs/dbraw/zinc/82/71/05/353827105.db2.gz JZSQLOUPZIDGAW-GFCCVEGCSA-N 1 1 306.366 1.594 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000091478046 353827212 /nfs/dbraw/zinc/82/72/12/353827212.db2.gz SNFNRHJRHUAAFN-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000092642214 353865016 /nfs/dbraw/zinc/86/50/16/353865016.db2.gz DJZBAPDACFDISL-LBPRGKRZSA-N 1 1 321.381 1.298 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108304201 353949531 /nfs/dbraw/zinc/94/95/31/353949531.db2.gz LFXWHYDQUMZZSJ-ZDUSSCGKSA-N 1 1 319.361 1.818 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000093345224 353897548 /nfs/dbraw/zinc/89/75/48/353897548.db2.gz UZTNZWOQJBBREC-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000093345224 353897550 /nfs/dbraw/zinc/89/75/50/353897550.db2.gz UZTNZWOQJBBREC-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156795685 354221494 /nfs/dbraw/zinc/22/14/94/354221494.db2.gz UBEZHSDJULELLZ-WFASDCNBSA-N 1 1 321.377 1.363 20 5 DDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156795685 354221498 /nfs/dbraw/zinc/22/14/98/354221498.db2.gz UBEZHSDJULELLZ-WFASDCNBSA-N 1 1 321.377 1.363 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000293114302 354454046 /nfs/dbraw/zinc/45/40/46/354454046.db2.gz LVKSBXOYNPTBIA-HIFRSBDPSA-N 1 1 324.377 1.429 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000316903140 354506876 /nfs/dbraw/zinc/50/68/76/354506876.db2.gz PAOXBICMQAWGIS-LBPRGKRZSA-N 1 1 305.334 1.666 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000317580125 354512194 /nfs/dbraw/zinc/51/21/94/354512194.db2.gz PUMSNEANJDXWQO-UHFFFAOYSA-N 1 1 307.350 1.912 20 5 DDBDMO CC[N@@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000588006097 354892763 /nfs/dbraw/zinc/89/27/63/354892763.db2.gz VRXUYAGWZHHGCX-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000588006097 354892765 /nfs/dbraw/zinc/89/27/65/354892765.db2.gz VRXUYAGWZHHGCX-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501392 354997031 /nfs/dbraw/zinc/99/70/31/354997031.db2.gz MCZJCTLCURQFCA-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COC[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501392 354997035 /nfs/dbraw/zinc/99/70/35/354997035.db2.gz MCZJCTLCURQFCA-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1O ZINC000589505441 354998111 /nfs/dbraw/zinc/99/81/11/354998111.db2.gz IHHOEQQDYYBZGI-QMTHXVAHSA-N 1 1 308.334 1.584 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447424 355099271 /nfs/dbraw/zinc/09/92/71/355099271.db2.gz XDCSNEKQAIPBIM-ZYHUDNBSSA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000590659994 355139857 /nfs/dbraw/zinc/13/98/57/355139857.db2.gz RIPNZYFSDJLEKN-ABAIWWIYSA-N 1 1 319.361 1.597 20 5 DDBDMO CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829334 355705913 /nfs/dbraw/zinc/70/59/13/355705913.db2.gz NXKHYASARCWTQN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592829334 355705916 /nfs/dbraw/zinc/70/59/16/355705916.db2.gz NXKHYASARCWTQN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829334 355705919 /nfs/dbraw/zinc/70/59/19/355705919.db2.gz NXKHYASARCWTQN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1ccccc1[N+](=O)[O-] ZINC000593104226 355799253 /nfs/dbraw/zinc/79/92/53/355799253.db2.gz XUJBMGFLXUSUBV-GANBNBROSA-N 1 1 323.374 1.129 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593187836 355821131 /nfs/dbraw/zinc/82/11/31/355821131.db2.gz USWHIQWUFBGJCU-IJLUTSLNSA-N 1 1 309.370 1.121 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017221 356089837 /nfs/dbraw/zinc/08/98/37/356089837.db2.gz VQWCGWKJPHVLBY-KGLIPLIRSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594357517 356182231 /nfs/dbraw/zinc/18/22/31/356182231.db2.gz OSMOWHWMNQZRJQ-ZDUSSCGKSA-N 1 1 305.378 1.938 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418564 356204042 /nfs/dbraw/zinc/20/40/42/356204042.db2.gz KDZXQNSEIRHDJO-RYUDHWBXSA-N 1 1 321.381 1.627 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000594584485 356256043 /nfs/dbraw/zinc/25/60/43/356256043.db2.gz DPNDOEMVGYTNEG-LBPRGKRZSA-N 1 1 324.381 1.280 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000594584485 356256044 /nfs/dbraw/zinc/25/60/44/356256044.db2.gz DPNDOEMVGYTNEG-LBPRGKRZSA-N 1 1 324.381 1.280 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cs1 ZINC000594992143 356369092 /nfs/dbraw/zinc/36/90/92/356369092.db2.gz BEBDQUFPDIPWTD-ZDUSSCGKSA-N 1 1 311.407 1.999 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[N+](=O)[O-] ZINC000595309171 356443186 /nfs/dbraw/zinc/44/31/86/356443186.db2.gz QVVRCMDMCBHNRO-LBPRGKRZSA-N 1 1 324.381 1.875 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[N+](=O)[O-] ZINC000595309171 356443189 /nfs/dbraw/zinc/44/31/89/356443189.db2.gz QVVRCMDMCBHNRO-LBPRGKRZSA-N 1 1 324.381 1.875 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c1[N+](=O)[O-] ZINC000236884049 202052098 /nfs/dbraw/zinc/05/20/98/202052098.db2.gz CLBORPWYKUAMPG-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595659799 356595872 /nfs/dbraw/zinc/59/58/72/356595872.db2.gz AOZLARFOVZVIAH-HNNXBMFYSA-N 1 1 310.350 1.447 20 5 DDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595660662 356597418 /nfs/dbraw/zinc/59/74/18/356597418.db2.gz CZJOSVWOHSRNNQ-CMPLNLGQSA-N 1 1 314.725 1.668 20 5 DDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000595666974 356600655 /nfs/dbraw/zinc/60/06/55/356600655.db2.gz NKACMSRLCGMBEH-WCQYABFASA-N 1 1 310.306 1.024 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595741710 356631162 /nfs/dbraw/zinc/63/11/62/356631162.db2.gz DCMWJXGXHHLLFO-RYUDHWBXSA-N 1 1 321.377 1.790 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1COCCO1 ZINC000595735754 356627854 /nfs/dbraw/zinc/62/78/54/356627854.db2.gz CCUCLFOTKSXFOL-NSHDSACASA-N 1 1 307.306 1.583 20 5 DDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1COCCO1 ZINC000595735754 356627858 /nfs/dbraw/zinc/62/78/58/356627858.db2.gz CCUCLFOTKSXFOL-NSHDSACASA-N 1 1 307.306 1.583 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595767178 356643761 /nfs/dbraw/zinc/64/37/61/356643761.db2.gz WGFUHBJRZXHLJN-GXFFZTMASA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595767178 356643764 /nfs/dbraw/zinc/64/37/64/356643764.db2.gz WGFUHBJRZXHLJN-GXFFZTMASA-N 1 1 323.349 1.387 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595761063 356642308 /nfs/dbraw/zinc/64/23/08/356642308.db2.gz WLSUIAYUPQMIJC-XHBSWPGZSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595761063 356642313 /nfs/dbraw/zinc/64/23/13/356642313.db2.gz WLSUIAYUPQMIJC-XHBSWPGZSA-N 1 1 319.361 1.890 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595828454 356666769 /nfs/dbraw/zinc/66/67/69/356666769.db2.gz FASTVKPTQAMWQI-STQMWFEESA-N 1 1 305.334 1.162 20 5 DDBDMO C[N@H+](CC1=CCSC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595895042 356694897 /nfs/dbraw/zinc/69/48/97/356694897.db2.gz BQKPATCKCHCKRL-AWEZNQCLSA-N 1 1 324.402 1.940 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121319 356781081 /nfs/dbraw/zinc/78/10/81/356781081.db2.gz VOWBIKGRCJTAPC-GFCCVEGCSA-N 1 1 306.366 1.980 20 5 DDBDMO COc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000596123178 356781600 /nfs/dbraw/zinc/78/16/00/356781600.db2.gz LFJNYJXJESWWKG-ZDUSSCGKSA-N 1 1 322.409 1.960 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[C@H]1O ZINC000597204349 357091922 /nfs/dbraw/zinc/09/19/22/357091922.db2.gz HSODFMUHMOCLAA-CDMJZVDBSA-N 1 1 322.361 1.815 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000347605125 283241346 /nfs/dbraw/zinc/24/13/46/283241346.db2.gz IZVHERAXFGTJPQ-TXEJJXNPSA-N 1 1 324.381 1.542 20 5 DDBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598039038 357437882 /nfs/dbraw/zinc/43/78/82/357437882.db2.gz HRMPENRJISMQSI-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598039038 357437884 /nfs/dbraw/zinc/43/78/84/357437884.db2.gz HRMPENRJISMQSI-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO CCCC[N@@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598594813 357646417 /nfs/dbraw/zinc/64/64/17/357646417.db2.gz DDTLXAFZWQQDBP-UHFFFAOYSA-N 1 1 310.354 1.920 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651088 357671210 /nfs/dbraw/zinc/67/12/10/357671210.db2.gz QQOSGWPRLOODMD-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651088 357671215 /nfs/dbraw/zinc/67/12/15/357671215.db2.gz QQOSGWPRLOODMD-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347890595 283291622 /nfs/dbraw/zinc/29/16/22/283291622.db2.gz KDWBUUSUFWJTHN-LBPRGKRZSA-N 1 1 321.381 1.222 20 5 DDBDMO CCOC(=O)C[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404966 357924054 /nfs/dbraw/zinc/92/40/54/357924054.db2.gz OMUCAOFIQDTGEF-AWEZNQCLSA-N 1 1 310.350 1.383 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC2(C)COC2)c1 ZINC000599572627 357979062 /nfs/dbraw/zinc/97/90/62/357979062.db2.gz DAGUIKBNVQIVDC-UHFFFAOYSA-N 1 1 308.334 1.850 20 5 DDBDMO C[C@]1(CO)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624935 357996903 /nfs/dbraw/zinc/99/69/03/357996903.db2.gz ZIMIKZPTBAXUDM-IYBDPMFKSA-N 1 1 324.377 1.286 20 5 DDBDMO O=c1ccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599641259 358002844 /nfs/dbraw/zinc/00/28/44/358002844.db2.gz METOZIFGLVUBQG-GFCCVEGCSA-N 1 1 304.310 1.124 20 5 DDBDMO O=c1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599641259 358002849 /nfs/dbraw/zinc/00/28/49/358002849.db2.gz METOZIFGLVUBQG-GFCCVEGCSA-N 1 1 304.310 1.124 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599670350 358018154 /nfs/dbraw/zinc/01/81/54/358018154.db2.gz FDYFCEFFNNFHRI-BETUJISGSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673873 358019290 /nfs/dbraw/zinc/01/92/90/358019290.db2.gz VDGIAUMJNDUUMJ-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000600115359 358127363 /nfs/dbraw/zinc/12/73/63/358127363.db2.gz FXPCLPSHIXZPRN-NSHDSACASA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000600115359 358127366 /nfs/dbraw/zinc/12/73/66/358127366.db2.gz FXPCLPSHIXZPRN-NSHDSACASA-N 1 1 303.322 1.973 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)Nc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000180432500 199158489 /nfs/dbraw/zinc/15/84/89/199158489.db2.gz AJAUIROJNCWHGR-MRVPVSSYSA-N 1 1 307.335 1.736 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600472263 358233843 /nfs/dbraw/zinc/23/38/43/358233843.db2.gz NMEXCWXHZFUUAV-GFCCVEGCSA-N 1 1 318.377 1.924 20 5 DDBDMO CCn1cnnc1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601118500 358409939 /nfs/dbraw/zinc/40/99/39/358409939.db2.gz NVLUFNLKPNGRHX-UHFFFAOYSA-N 1 1 312.333 1.831 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000601956529 358753081 /nfs/dbraw/zinc/75/30/81/358753081.db2.gz RUNLZTJFGASDIC-GOEBONIOSA-N 1 1 308.378 1.939 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000601956529 358753083 /nfs/dbraw/zinc/75/30/83/358753083.db2.gz RUNLZTJFGASDIC-GOEBONIOSA-N 1 1 308.378 1.939 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602073711 358801814 /nfs/dbraw/zinc/80/18/14/358801814.db2.gz OJWIWQDPTMTPPW-LLVKDONJSA-N 1 1 307.350 1.561 20 5 DDBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602616965 359076652 /nfs/dbraw/zinc/07/66/52/359076652.db2.gz LBWZLSSAZWFBPU-GFCCVEGCSA-N 1 1 324.381 1.882 20 5 DDBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602616965 359076655 /nfs/dbraw/zinc/07/66/55/359076655.db2.gz LBWZLSSAZWFBPU-GFCCVEGCSA-N 1 1 324.381 1.882 20 5 DDBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602635830 359089189 /nfs/dbraw/zinc/08/91/89/359089189.db2.gz CCEKWIIVBNMOKE-HNNXBMFYSA-N 1 1 324.381 1.740 20 5 DDBDMO CN1CCN(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602594225 359060994 /nfs/dbraw/zinc/06/09/94/359060994.db2.gz WAQWDKYRUCQBQM-UHFFFAOYSA-N 1 1 306.410 1.364 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602783086 359188992 /nfs/dbraw/zinc/18/89/92/359188992.db2.gz YESKUXVPIIDHBT-GFCCVEGCSA-N 1 1 324.381 1.763 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707128 359137680 /nfs/dbraw/zinc/13/76/80/359137680.db2.gz CPDGQFNVZLCKQI-AWEZNQCLSA-N 1 1 323.397 1.015 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707128 359137683 /nfs/dbraw/zinc/13/76/83/359137683.db2.gz CPDGQFNVZLCKQI-AWEZNQCLSA-N 1 1 323.397 1.015 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000602835139 359226630 /nfs/dbraw/zinc/22/66/30/359226630.db2.gz XVKOMGXTCAAMNZ-OCCSQVGLSA-N 1 1 308.382 1.989 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602819089 359213737 /nfs/dbraw/zinc/21/37/37/359213737.db2.gz APMMWXGHCFVEGH-CQSZACIVSA-N 1 1 317.349 1.514 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602819089 359213742 /nfs/dbraw/zinc/21/37/42/359213742.db2.gz APMMWXGHCFVEGH-CQSZACIVSA-N 1 1 317.349 1.514 20 5 DDBDMO COC(=O)[C@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602827706 359220831 /nfs/dbraw/zinc/22/08/31/359220831.db2.gz MZGYJASOCVUMLT-JTQLQIEISA-N 1 1 310.354 1.516 20 5 DDBDMO COC(=O)[C@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602827706 359220834 /nfs/dbraw/zinc/22/08/34/359220834.db2.gz MZGYJASOCVUMLT-JTQLQIEISA-N 1 1 310.354 1.516 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000602902435 359282895 /nfs/dbraw/zinc/28/28/95/359282895.db2.gz LVFKPKPSSLJQCP-UHFFFAOYSA-N 1 1 318.381 1.907 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000602903829 359283989 /nfs/dbraw/zinc/28/39/89/359283989.db2.gz SUFAFDCSXSEORT-ZDUSSCGKSA-N 1 1 321.381 1.044 20 5 DDBDMO Cc1nn(CC[N@@H+]2CCO[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603325191 359570145 /nfs/dbraw/zinc/57/01/45/359570145.db2.gz HMQVWFZINNILQJ-JTQLQIEISA-N 1 1 305.338 1.369 20 5 DDBDMO Cc1nn(CC[N@H+]2CCO[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603325191 359570148 /nfs/dbraw/zinc/57/01/48/359570148.db2.gz HMQVWFZINNILQJ-JTQLQIEISA-N 1 1 305.338 1.369 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186825286 200018168 /nfs/dbraw/zinc/01/81/68/200018168.db2.gz XQKFUJGWWZLFAB-ZLDLUXBVSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000603401241 359617565 /nfs/dbraw/zinc/61/75/65/359617565.db2.gz KICFDKWFIGFDRJ-NSHDSACASA-N 1 1 309.370 1.018 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383605 360303402 /nfs/dbraw/zinc/30/34/02/360303402.db2.gz WIKONWGIJSNAOG-ZDUSSCGKSA-N 1 1 318.377 1.851 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609269557 360285914 /nfs/dbraw/zinc/28/59/14/360285914.db2.gz UAONIOPJQPNDGO-GFCCVEGCSA-N 1 1 307.350 1.435 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609471159 360311496 /nfs/dbraw/zinc/31/14/96/360311496.db2.gz CWHGPHBJPFHBAN-GFCCVEGCSA-N 1 1 322.365 1.367 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)CO ZINC000609894926 360362673 /nfs/dbraw/zinc/36/26/73/360362673.db2.gz OIPICJAGOUKNKA-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)CO ZINC000609894926 360362679 /nfs/dbraw/zinc/36/26/79/360362679.db2.gz OIPICJAGOUKNKA-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCC[N@@H+](C)C1 ZINC000610187911 360389296 /nfs/dbraw/zinc/38/92/96/360389296.db2.gz XBMCJZUORWAQMV-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619441025 364009491 /nfs/dbraw/zinc/00/94/91/364009491.db2.gz CGJCTGFQRHMGBX-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619441025 364009494 /nfs/dbraw/zinc/00/94/94/364009494.db2.gz CGJCTGFQRHMGBX-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000619873375 364170945 /nfs/dbraw/zinc/17/09/45/364170945.db2.gz HZTNLJFSUYBHKT-AWEZNQCLSA-N 1 1 318.377 1.023 20 5 DDBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275526526 212395230 /nfs/dbraw/zinc/39/52/30/212395230.db2.gz WHUIJTWJYRNJQD-NSHDSACASA-N 1 1 311.313 1.783 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486022 284336404 /nfs/dbraw/zinc/33/64/04/284336404.db2.gz LTSBOBKVIUSAIH-UKRRQHHQSA-N 1 1 314.345 1.751 20 5 DDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000351486886 284337306 /nfs/dbraw/zinc/33/73/06/284337306.db2.gz YJPGXAFELDWRIB-GXTWGEPZSA-N 1 1 314.345 1.751 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284504887 218055738 /nfs/dbraw/zinc/05/57/38/218055738.db2.gz XXKNHUTVJNGTLR-JKSUJKDBSA-N 1 1 305.378 1.808 20 5 DDBDMO COCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104958697 194058267 /nfs/dbraw/zinc/05/82/67/194058267.db2.gz MRQUYDYKKSGLHT-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO COCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104958697 194058269 /nfs/dbraw/zinc/05/82/69/194058269.db2.gz MRQUYDYKKSGLHT-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284669836 218124292 /nfs/dbraw/zinc/12/42/92/218124292.db2.gz GUTZNXJURBHRSG-UONOGXRCSA-N 1 1 307.350 1.400 20 5 DDBDMO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338966786 250222896 /nfs/dbraw/zinc/22/28/96/250222896.db2.gz YZIYJJBZDOTZBG-CQSZACIVSA-N 1 1 319.361 1.873 20 5 DDBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338966786 250222901 /nfs/dbraw/zinc/22/29/01/250222901.db2.gz YZIYJJBZDOTZBG-CQSZACIVSA-N 1 1 319.361 1.873 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000339140068 250311770 /nfs/dbraw/zinc/31/17/70/250311770.db2.gz LDAUOCDJSNKIDX-CYBMUJFWSA-N 1 1 307.350 1.704 20 5 DDBDMO CCN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268427568 206705669 /nfs/dbraw/zinc/70/56/69/206705669.db2.gz AMELFDLAPJQNBG-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1ccc([C@H](C)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847717 207015596 /nfs/dbraw/zinc/01/55/96/207015596.db2.gz BQBWEFGGCYOTGC-ZFWWWQNUSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1ccc([C@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847717 207015600 /nfs/dbraw/zinc/01/56/00/207015600.db2.gz BQBWEFGGCYOTGC-ZFWWWQNUSA-N 1 1 306.410 1.800 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156258995 197099797 /nfs/dbraw/zinc/09/97/97/197099797.db2.gz JGSYEFRZOVFTPH-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000059014083 184133948 /nfs/dbraw/zinc/13/39/48/184133948.db2.gz GLBJSYKEIXNWEH-UHFFFAOYSA-N 1 1 321.333 1.159 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340992611 251323322 /nfs/dbraw/zinc/32/33/22/251323322.db2.gz NIMCABNANJMBNF-SECBINFHSA-N 1 1 315.333 1.438 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000119623649 195004846 /nfs/dbraw/zinc/00/48/46/195004846.db2.gz UDMGNNVOXJSSRG-LBPRGKRZSA-N 1 1 320.393 1.885 20 5 DDBDMO O=C1[C@H]([N@@H+](CCO)CC2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000352468359 285072765 /nfs/dbraw/zinc/07/27/65/285072765.db2.gz ROSAXQKVPKRIKD-OAHLLOKOSA-N 1 1 319.361 1.404 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352660765 285204800 /nfs/dbraw/zinc/20/48/00/285204800.db2.gz TVIVGBBDAJDQKS-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156258995 197099796 /nfs/dbraw/zinc/09/97/96/197099796.db2.gz JGSYEFRZOVFTPH-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000444700026 533436229 /nfs/dbraw/zinc/43/62/29/533436229.db2.gz FOSHXCNRDUJYOA-KOLCDFICSA-N 1 1 318.333 1.855 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000444700026 533436234 /nfs/dbraw/zinc/43/62/34/533436234.db2.gz FOSHXCNRDUJYOA-KOLCDFICSA-N 1 1 318.333 1.855 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832330 407260613 /nfs/dbraw/zinc/26/06/13/407260613.db2.gz PNXKDQNHYBRLJM-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000063761987 407235066 /nfs/dbraw/zinc/23/50/66/407235066.db2.gz WEHVWNQGHTXWEY-UHFFFAOYSA-N 1 1 320.393 1.585 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CO ZINC000101546691 407310339 /nfs/dbraw/zinc/31/03/39/407310339.db2.gz BZFOTBHEVNHDBE-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000105612120 407354964 /nfs/dbraw/zinc/35/49/64/407354964.db2.gz NDGJYZRCLCWWTE-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107696096 407378435 /nfs/dbraw/zinc/37/84/35/407378435.db2.gz FCPBRGCAHFHRQX-HIFRSBDPSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320867 407407398 /nfs/dbraw/zinc/40/73/98/407407398.db2.gz YTQCRTHCEWVJFY-ZOKQIPHBSA-N 1 1 319.361 1.910 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320867 407407399 /nfs/dbraw/zinc/40/73/99/407407399.db2.gz YTQCRTHCEWVJFY-ZOKQIPHBSA-N 1 1 319.361 1.910 20 5 DDBDMO C[NH+]1CCC(O)(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265849364 407483680 /nfs/dbraw/zinc/48/36/80/407483680.db2.gz HWSOLCUWECPOQY-UHFFFAOYSA-N 1 1 313.785 1.795 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC000271211483 407575991 /nfs/dbraw/zinc/57/59/91/407575991.db2.gz HSMFYHMEYPKQFN-UHFFFAOYSA-N 1 1 312.391 1.851 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC000271211483 407575997 /nfs/dbraw/zinc/57/59/97/407575997.db2.gz HSMFYHMEYPKQFN-UHFFFAOYSA-N 1 1 312.391 1.851 20 5 DDBDMO COCC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171070434 407587536 /nfs/dbraw/zinc/58/75/36/407587536.db2.gz BRDFNXVDJPYUKS-UHFFFAOYSA-N 1 1 322.365 1.470 20 5 DDBDMO CN(CC(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266258648 407533980 /nfs/dbraw/zinc/53/39/80/407533980.db2.gz KGHRHIRJXKALHF-GFCCVEGCSA-N 1 1 306.366 1.099 20 5 DDBDMO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261755498 407604544 /nfs/dbraw/zinc/60/45/44/407604544.db2.gz UIOJDCYDRIOFCW-JTQLQIEISA-N 1 1 319.358 1.386 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266881639 407660080 /nfs/dbraw/zinc/66/00/80/407660080.db2.gz XNZZCELUIMIMLW-LBPRGKRZSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266881639 407660082 /nfs/dbraw/zinc/66/00/82/407660082.db2.gz XNZZCELUIMIMLW-LBPRGKRZSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000178858401 407630813 /nfs/dbraw/zinc/63/08/13/407630813.db2.gz NVWYJMMKYISOBF-INIZCTEOSA-N 1 1 305.378 1.798 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266907306 407670658 /nfs/dbraw/zinc/67/06/58/407670658.db2.gz BOLNDTIPIMBBNL-NXEZZACHSA-N 1 1 308.260 1.179 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115432799 407679732 /nfs/dbraw/zinc/67/97/32/407679732.db2.gz NPEXMZSAIMIWHV-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3ccncc3)C2)n1 ZINC000131842881 407756240 /nfs/dbraw/zinc/75/62/40/407756240.db2.gz FXLFYXUYRUZSKX-ZDUSSCGKSA-N 1 1 303.322 1.340 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000267248824 407807034 /nfs/dbraw/zinc/80/70/34/407807034.db2.gz GFBSVEKXBJOHPB-VXGBXAGGSA-N 1 1 304.350 1.534 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268171917 407925333 /nfs/dbraw/zinc/92/53/33/407925333.db2.gz QTWXJGVYMYZILG-YGRLFVJLSA-N 1 1 318.377 1.849 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000245443750 407984613 /nfs/dbraw/zinc/98/46/13/407984613.db2.gz JCBCKDAIWRZTBT-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCSCC1 ZINC000273170913 408091732 /nfs/dbraw/zinc/09/17/32/408091732.db2.gz OTZNHASXHUBTOZ-LBPRGKRZSA-N 1 1 312.391 1.773 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000182321002 408124526 /nfs/dbraw/zinc/12/45/26/408124526.db2.gz ROFOEMRDWYTPEB-ZDUSSCGKSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC2(CCC2)C1 ZINC000182321002 408124534 /nfs/dbraw/zinc/12/45/34/408124534.db2.gz ROFOEMRDWYTPEB-ZDUSSCGKSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2c(F)cccc2F)n1 ZINC000273094890 408055831 /nfs/dbraw/zinc/05/58/31/408055831.db2.gz KKAPTPPXJNALMD-NSHDSACASA-N 1 1 312.276 1.393 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000122136714 408255345 /nfs/dbraw/zinc/25/53/45/408255345.db2.gz FJALXXCPCCSOMV-UHFFFAOYSA-N 1 1 323.324 1.419 20 5 DDBDMO COC(=O)c1cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)oc1C ZINC000176200031 408306380 /nfs/dbraw/zinc/30/63/80/408306380.db2.gz VBKPGBWTNFMOOY-UHFFFAOYSA-N 1 1 322.321 1.611 20 5 DDBDMO COC(=O)c1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)oc1C ZINC000176200031 408306385 /nfs/dbraw/zinc/30/63/85/408306385.db2.gz VBKPGBWTNFMOOY-UHFFFAOYSA-N 1 1 322.321 1.611 20 5 DDBDMO CCOC(=O)N[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210050 408309925 /nfs/dbraw/zinc/30/99/25/408309925.db2.gz DWWOYMJFJLXUSE-LLVKDONJSA-N 1 1 311.342 1.002 20 5 DDBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210050 408309928 /nfs/dbraw/zinc/30/99/28/408309928.db2.gz DWWOYMJFJLXUSE-LLVKDONJSA-N 1 1 311.342 1.002 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196585 408350597 /nfs/dbraw/zinc/35/05/97/408350597.db2.gz QYLOCRBARMMPDC-SRVKXCTJSA-N 1 1 307.350 1.625 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000264014657 408344823 /nfs/dbraw/zinc/34/48/23/408344823.db2.gz WFVOASOODVWILC-UHFFFAOYSA-N 1 1 312.395 1.024 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225433 408360463 /nfs/dbraw/zinc/36/04/63/408360463.db2.gz QQHCYTHPSTUFMN-OBJOEFQTSA-N 1 1 310.350 1.037 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000246908142 408364127 /nfs/dbraw/zinc/36/41/27/408364127.db2.gz RPYCQNDTIORNGG-AGIUHOORSA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000246908142 408364133 /nfs/dbraw/zinc/36/41/33/408364133.db2.gz RPYCQNDTIORNGG-AGIUHOORSA-N 1 1 310.354 1.060 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247318325 408448641 /nfs/dbraw/zinc/44/86/41/408448641.db2.gz MIJYZYZAUUQHTQ-MWLCHTKSSA-N 1 1 309.370 1.095 20 5 DDBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176828351 408452995 /nfs/dbraw/zinc/45/29/95/408452995.db2.gz JNMIMAGQVZHVGZ-CYBMUJFWSA-N 1 1 306.366 1.589 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176828351 408452998 /nfs/dbraw/zinc/45/29/98/408452998.db2.gz JNMIMAGQVZHVGZ-CYBMUJFWSA-N 1 1 306.366 1.589 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247340720 408453805 /nfs/dbraw/zinc/45/38/05/408453805.db2.gz JFAWDLMMMDJZQS-SWLSCSKDSA-N 1 1 305.378 1.936 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247237118 408435654 /nfs/dbraw/zinc/43/56/54/408435654.db2.gz DKFYHXZEQKVNIN-CHWSQXEVSA-N 1 1 314.411 1.226 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177087994 408516035 /nfs/dbraw/zinc/51/60/35/408516035.db2.gz LOLMANGLGOBSRZ-RYUDHWBXSA-N 1 1 319.361 1.715 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000183974565 408522294 /nfs/dbraw/zinc/52/22/94/408522294.db2.gz ZPGWGILPUQLABY-BQYQJAHWSA-N 1 1 307.350 1.038 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247993130 408524080 /nfs/dbraw/zinc/52/40/80/408524080.db2.gz JQJBSKOPJPPVAD-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247993130 408524086 /nfs/dbraw/zinc/52/40/86/408524086.db2.gz JQJBSKOPJPPVAD-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO CC1(O)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000177311550 162587898 /nfs/dbraw/zinc/58/78/98/162587898.db2.gz SVCQTSCIFYTVKT-AWEZNQCLSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177269613 408567528 /nfs/dbraw/zinc/56/75/28/408567528.db2.gz KBFUXBNLXVTJJU-AAEUAGOBSA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177269613 408567530 /nfs/dbraw/zinc/56/75/30/408567530.db2.gz KBFUXBNLXVTJJU-AAEUAGOBSA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177269613 408567532 /nfs/dbraw/zinc/56/75/32/408567532.db2.gz KBFUXBNLXVTJJU-AAEUAGOBSA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248456629 408571021 /nfs/dbraw/zinc/57/10/21/408571021.db2.gz LTJHUTQBLAQSHH-BFHYXJOUSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)n1 ZINC000161500932 408610156 /nfs/dbraw/zinc/61/01/56/408610156.db2.gz JNAMRLORYDKJSZ-NSHDSACASA-N 1 1 322.287 1.427 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270858193 408711770 /nfs/dbraw/zinc/71/17/70/408711770.db2.gz HTSLTFKLXPPEAY-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270858193 408711775 /nfs/dbraw/zinc/71/17/75/408711775.db2.gz HTSLTFKLXPPEAY-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000265733792 408762407 /nfs/dbraw/zinc/76/24/07/408762407.db2.gz AJJBRIDONRNKRX-LLVKDONJSA-N 1 1 308.334 1.930 20 5 DDBDMO C[C@H]1C[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000290863214 408846475 /nfs/dbraw/zinc/84/64/75/408846475.db2.gz YVJJQCLEYDRNKA-UWVGGRQHSA-N 1 1 307.354 1.008 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000280855702 408847461 /nfs/dbraw/zinc/84/74/61/408847461.db2.gz ATSSVRGAFYYGMU-ZDUSSCGKSA-N 1 1 321.377 1.740 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281674564 408907845 /nfs/dbraw/zinc/90/78/45/408907845.db2.gz LWIYKCOUAJRHLT-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000277303990 408915726 /nfs/dbraw/zinc/91/57/26/408915726.db2.gz PHEYTMSKIHWGFX-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO CN(C)CC[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286264267 408951769 /nfs/dbraw/zinc/95/17/69/408951769.db2.gz WBRLPISQMJWFSK-UHFFFAOYSA-N 1 1 307.398 1.615 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073888 408974653 /nfs/dbraw/zinc/97/46/53/408974653.db2.gz DVEUVNAISZXJPD-INIZCTEOSA-N 1 1 318.377 1.221 20 5 DDBDMO CCCN(CCC[NH+](C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000277972933 409043473 /nfs/dbraw/zinc/04/34/73/409043473.db2.gz NOUZWXGHZLDELY-UHFFFAOYSA-N 1 1 311.386 1.684 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293297327 409084371 /nfs/dbraw/zinc/08/43/71/409084371.db2.gz WICKTNGMKKNZPC-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@H]2C1 ZINC000278962796 409122241 /nfs/dbraw/zinc/12/22/41/409122241.db2.gz AZYDEOVYNVMSQR-PHIMTYICSA-N 1 1 323.324 1.133 20 5 DDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000293687232 409161127 /nfs/dbraw/zinc/16/11/27/409161127.db2.gz NSBSZDUCCHIOSN-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293807813 409183727 /nfs/dbraw/zinc/18/37/27/409183727.db2.gz AMAJZJICWOGWFQ-OAHLLOKOSA-N 1 1 320.349 1.253 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@H+]1C1CC1 ZINC000279492328 409223749 /nfs/dbraw/zinc/22/37/49/409223749.db2.gz RSEFPJUUPNLAIC-BDAKNGLRSA-N 1 1 322.340 1.671 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@H+]1C1CC1 ZINC000279492332 409223812 /nfs/dbraw/zinc/22/38/12/409223812.db2.gz RSEFPJUUPNLAIC-DTWKUNHWSA-N 1 1 322.340 1.671 20 5 DDBDMO Cc1ccc(C(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000290221571 409327640 /nfs/dbraw/zinc/32/76/40/409327640.db2.gz VDIMABJBUDMVGF-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1ccc(C(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290221571 409327644 /nfs/dbraw/zinc/32/76/44/409327644.db2.gz VDIMABJBUDMVGF-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000295210695 409376458 /nfs/dbraw/zinc/37/64/58/409376458.db2.gz LNKGICWICNPCIB-CQSZACIVSA-N 1 1 321.312 1.245 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284571801 409350847 /nfs/dbraw/zinc/35/08/47/409350847.db2.gz OKWSUCKTVFRBON-RYUDHWBXSA-N 1 1 312.757 1.553 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549124 164050991 /nfs/dbraw/zinc/05/09/91/164050991.db2.gz YAEUHGAPYHMVND-MNOVXSKESA-N 1 1 322.340 1.673 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000328574796 164052065 /nfs/dbraw/zinc/05/20/65/164052065.db2.gz XGJWYUBSIQUISJ-PHIMTYICSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000328574796 164052066 /nfs/dbraw/zinc/05/20/66/164052066.db2.gz XGJWYUBSIQUISJ-PHIMTYICSA-N 1 1 306.366 1.801 20 5 DDBDMO CS[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233464 409473815 /nfs/dbraw/zinc/47/38/15/409473815.db2.gz KTIWJEMKZCPREF-NEPJUHHUSA-N 1 1 312.391 1.772 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000407998990 164193727 /nfs/dbraw/zinc/19/37/27/164193727.db2.gz SORWLXFFJBWCFM-CABCVRRESA-N 1 1 307.350 1.205 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000407998990 164193729 /nfs/dbraw/zinc/19/37/29/164193729.db2.gz SORWLXFFJBWCFM-CABCVRRESA-N 1 1 307.350 1.205 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000354006987 409596443 /nfs/dbraw/zinc/59/64/43/409596443.db2.gz OFVGNGXVFMHWQK-NSHDSACASA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623724 409707618 /nfs/dbraw/zinc/70/76/18/409707618.db2.gz YEXKBUXXPHEAMA-KKUMJFAQSA-N 1 1 324.381 1.043 20 5 DDBDMO Cc1cc(OCC(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000297171064 409834856 /nfs/dbraw/zinc/83/48/56/409834856.db2.gz TXWJYQNUWKSFBS-UHFFFAOYSA-N 1 1 307.350 1.491 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000342896436 409982106 /nfs/dbraw/zinc/98/21/06/409982106.db2.gz CRTFMFZLUSHRIA-UHFFFAOYSA-N 1 1 302.334 1.900 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239810 410007232 /nfs/dbraw/zinc/00/72/32/410007232.db2.gz IOIPQZRZMLZKKB-NXEZZACHSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239810 410007237 /nfs/dbraw/zinc/00/72/37/410007237.db2.gz IOIPQZRZMLZKKB-NXEZZACHSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239810 410007244 /nfs/dbraw/zinc/00/72/44/410007244.db2.gz IOIPQZRZMLZKKB-NXEZZACHSA-N 1 1 317.349 1.684 20 5 DDBDMO COc1ccc(CNC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000338464306 410008073 /nfs/dbraw/zinc/00/80/73/410008073.db2.gz NGNVHYKVVZUHRH-UHFFFAOYSA-N 1 1 324.381 1.743 20 5 DDBDMO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000351872239 410307028 /nfs/dbraw/zinc/30/70/28/410307028.db2.gz DBJVAWOZMMMICZ-CYBMUJFWSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000351872239 410307038 /nfs/dbraw/zinc/30/70/38/410307038.db2.gz DBJVAWOZMMMICZ-CYBMUJFWSA-N 1 1 314.349 1.775 20 5 DDBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOC ZINC000347338267 410482392 /nfs/dbraw/zinc/48/23/92/410482392.db2.gz MBAHOWATIWVEDB-UHFFFAOYSA-N 1 1 323.349 1.861 20 5 DDBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343720 410484240 /nfs/dbraw/zinc/48/42/40/410484240.db2.gz SSYNBEYMYRCTFS-IINYFYTJSA-N 1 1 319.321 1.899 20 5 DDBDMO CCOc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579935187 422859528 /nfs/dbraw/zinc/85/95/28/422859528.db2.gz PYMQBFCQTDSNTL-CABCVRRESA-N 1 1 321.377 1.903 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000359392862 410636685 /nfs/dbraw/zinc/63/66/85/410636685.db2.gz NWGUNFYVZGFWJQ-CYBMUJFWSA-N 1 1 321.377 1.601 20 5 DDBDMO Cc1c(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000343717333 410645570 /nfs/dbraw/zinc/64/55/70/410645570.db2.gz QDGMGYXTSXPFBD-LLVKDONJSA-N 1 1 322.365 1.434 20 5 DDBDMO CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352956298 410700431 /nfs/dbraw/zinc/70/04/31/410700431.db2.gz LBHLDINZVFHWBY-LLVKDONJSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301915424 410830432 /nfs/dbraw/zinc/83/04/32/410830432.db2.gz ISDNIPOFSDPNDM-LLVKDONJSA-N 1 1 304.354 1.781 20 5 DDBDMO Cc1c([C@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673533 410866115 /nfs/dbraw/zinc/86/61/15/410866115.db2.gz HKGPOMFCILMVPH-UONOGXRCSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1c([C@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673533 410866119 /nfs/dbraw/zinc/86/61/19/410866119.db2.gz HKGPOMFCILMVPH-UONOGXRCSA-N 1 1 306.410 1.800 20 5 DDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330604173 410821538 /nfs/dbraw/zinc/82/15/38/410821538.db2.gz GSFFMSXKURGQQN-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330604173 410821542 /nfs/dbraw/zinc/82/15/42/410821542.db2.gz GSFFMSXKURGQQN-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121276 410971244 /nfs/dbraw/zinc/97/12/44/410971244.db2.gz DWVZTYJUKVMUTE-GHMZBOCLSA-N 1 1 307.350 1.287 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522942 410997036 /nfs/dbraw/zinc/99/70/36/410997036.db2.gz AQSBBLMXRRVNSX-NWDGAFQWSA-N 1 1 307.350 1.559 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC(O)C1 ZINC000353466842 411006797 /nfs/dbraw/zinc/00/67/97/411006797.db2.gz JTJQKAHJLABHIB-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC(O)C1 ZINC000353466842 411006803 /nfs/dbraw/zinc/00/68/03/411006803.db2.gz JTJQKAHJLABHIB-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140703 225222906 /nfs/dbraw/zinc/22/29/06/225222906.db2.gz QJVVFHKGURGKJK-XHDPSFHLSA-N 1 1 324.356 1.999 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417223378 225251585 /nfs/dbraw/zinc/25/15/85/225251585.db2.gz GNAKEGACOAVSOW-OAHLLOKOSA-N 1 1 324.356 1.480 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290501275 221701922 /nfs/dbraw/zinc/70/19/22/221701922.db2.gz ASWZBRGHZRGWAD-LLVKDONJSA-N 1 1 321.381 1.399 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374105750 418488268 /nfs/dbraw/zinc/48/82/68/418488268.db2.gz JQSHJFVQGHMBTL-AEGPPILISA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374105750 418488270 /nfs/dbraw/zinc/48/82/70/418488270.db2.gz JQSHJFVQGHMBTL-AEGPPILISA-N 1 1 308.334 1.198 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403210 418645896 /nfs/dbraw/zinc/64/58/96/418645896.db2.gz NFYCZFSURSATDG-JSGCOSHPSA-N 1 1 310.350 1.180 20 5 DDBDMO CC(C)N1CC[C@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403848 418634679 /nfs/dbraw/zinc/63/46/79/418634679.db2.gz MOIIZZYJZIWZNZ-JSGCOSHPSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)N1CC[C@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403848 418634682 /nfs/dbraw/zinc/63/46/82/418634682.db2.gz MOIIZZYJZIWZNZ-JSGCOSHPSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403851 418635119 /nfs/dbraw/zinc/63/51/19/418635119.db2.gz MOIIZZYJZIWZNZ-TZMCWYRMSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)N1CC[C@@H]([N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403851 418635121 /nfs/dbraw/zinc/63/51/21/418635121.db2.gz MOIIZZYJZIWZNZ-TZMCWYRMSA-N 1 1 321.381 1.438 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000365568547 418876444 /nfs/dbraw/zinc/87/64/44/418876444.db2.gz ZGJUYYVRPJLDOE-UHFFFAOYSA-N 1 1 318.337 1.160 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000365100675 418837288 /nfs/dbraw/zinc/83/72/88/418837288.db2.gz PPFUCTDQZMEIDH-AWEZNQCLSA-N 1 1 322.384 1.950 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430317 418903389 /nfs/dbraw/zinc/90/33/89/418903389.db2.gz OALBNPRODBTTJM-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430317 418903392 /nfs/dbraw/zinc/90/33/92/418903392.db2.gz OALBNPRODBTTJM-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430317 418903393 /nfs/dbraw/zinc/90/33/93/418903393.db2.gz OALBNPRODBTTJM-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365249228 418846255 /nfs/dbraw/zinc/84/62/55/418846255.db2.gz PZTQGNJCHGFBFZ-NWDGAFQWSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372871584 418911484 /nfs/dbraw/zinc/91/14/84/418911484.db2.gz QSCUGXZZQZQJPX-NOZJJQNGSA-N 1 1 315.333 1.295 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365838410 418914744 /nfs/dbraw/zinc/91/47/44/418914744.db2.gz NVNCRWPYYQOHNM-MRXNPFEDSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365838410 418914746 /nfs/dbraw/zinc/91/47/46/418914746.db2.gz NVNCRWPYYQOHNM-MRXNPFEDSA-N 1 1 319.361 1.689 20 5 DDBDMO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913819 419366093 /nfs/dbraw/zinc/36/60/93/419366093.db2.gz GPXRHUQXQLSGAW-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913819 419366100 /nfs/dbraw/zinc/36/61/00/419366100.db2.gz GPXRHUQXQLSGAW-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000426254578 419423809 /nfs/dbraw/zinc/42/38/09/419423809.db2.gz DZLRASKILOYYJZ-TZMCWYRMSA-N 1 1 310.350 1.181 20 5 DDBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000420996871 419431396 /nfs/dbraw/zinc/43/13/96/419431396.db2.gz GHYQFRNBLAXINB-ZDUSSCGKSA-N 1 1 306.366 1.220 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@]12CCOC2 ZINC000421010948 419446648 /nfs/dbraw/zinc/44/66/48/419446648.db2.gz DBFUSZYEFKYTHY-IUODEOHRSA-N 1 1 308.334 1.199 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412111116 419675070 /nfs/dbraw/zinc/67/50/70/419675070.db2.gz VQTMZJJUJBKXEK-DZGCQCFKSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412111116 419675076 /nfs/dbraw/zinc/67/50/76/419675076.db2.gz VQTMZJJUJBKXEK-DZGCQCFKSA-N 1 1 324.377 1.557 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091202 419650172 /nfs/dbraw/zinc/65/01/72/419650172.db2.gz QOUIBIVHRKSJPV-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091202 419650179 /nfs/dbraw/zinc/65/01/79/419650179.db2.gz QOUIBIVHRKSJPV-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[NH+](C)C1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000422003430 419801880 /nfs/dbraw/zinc/80/18/80/419801880.db2.gz CYMNCQDSRHCMLM-UHFFFAOYSA-N 1 1 307.350 1.903 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299470095 229136902 /nfs/dbraw/zinc/13/69/02/229136902.db2.gz BHEQUHMMTZGVCE-STQMWFEESA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000423679510 420124185 /nfs/dbraw/zinc/12/41/85/420124185.db2.gz KNNQVBDOTFKPGD-HNNXBMFYSA-N 1 1 309.341 1.606 20 5 DDBDMO CC1(C)C[C@H](NC[C@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580167 420086104 /nfs/dbraw/zinc/08/61/04/420086104.db2.gz XHTIRRHKOZJKPL-DOMZBBRYSA-N 1 1 305.378 1.895 20 5 DDBDMO [NH3+]C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423943139 420278054 /nfs/dbraw/zinc/27/80/54/420278054.db2.gz QNYIVRAANRGPJL-CYBMUJFWSA-N 1 1 317.349 1.718 20 5 DDBDMO Cc1c(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416294352 420310206 /nfs/dbraw/zinc/31/02/06/420310206.db2.gz KVODYNCPAXUXRG-RYUDHWBXSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000416294352 420310209 /nfs/dbraw/zinc/31/02/09/420310209.db2.gz KVODYNCPAXUXRG-RYUDHWBXSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425068911 420325774 /nfs/dbraw/zinc/32/57/74/420325774.db2.gz USYHQPYCCBYIHP-WCQYABFASA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444180099 230060793 /nfs/dbraw/zinc/06/07/93/230060793.db2.gz FNZLAGDTGQHSLG-LLVKDONJSA-N 1 1 323.349 1.596 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCO ZINC000440943410 420619497 /nfs/dbraw/zinc/61/94/97/420619497.db2.gz QJRSJDSTFPTQMM-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452112041 420621862 /nfs/dbraw/zinc/62/18/62/420621862.db2.gz DWAIDMQNVVWOFN-CQSZACIVSA-N 1 1 320.393 1.608 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000441692434 420660229 /nfs/dbraw/zinc/66/02/29/420660229.db2.gz TUCRKFAXGKSFBY-XPKDYRNWSA-N 1 1 324.377 1.427 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000493138354 420766020 /nfs/dbraw/zinc/76/60/20/420766020.db2.gz HWCIOCXYQZQPCB-FOQNGQEVSA-N 1 1 311.288 1.674 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454376794 420849431 /nfs/dbraw/zinc/84/94/31/420849431.db2.gz SVXJJVSKXZDPLH-JTQLQIEISA-N 1 1 307.354 1.246 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449746131 421073621 /nfs/dbraw/zinc/07/36/21/421073621.db2.gz QGTDGNSTARXLME-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449746131 421073623 /nfs/dbraw/zinc/07/36/23/421073623.db2.gz QGTDGNSTARXLME-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810969 421310575 /nfs/dbraw/zinc/31/05/75/421310575.db2.gz DRBANJHDLSYPCQ-WFASDCNBSA-N 1 1 310.350 1.181 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000548692861 421463471 /nfs/dbraw/zinc/46/34/71/421463471.db2.gz LKSAQIGJQZEBGD-CYBMUJFWSA-N 1 1 322.409 1.888 20 5 DDBDMO CNc1nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000563397794 421501544 /nfs/dbraw/zinc/50/15/44/421501544.db2.gz WMSYICOKAGLPCE-WDEREUQCSA-N 1 1 319.365 1.340 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000571223226 421698497 /nfs/dbraw/zinc/69/84/97/421698497.db2.gz TUJULPIJANMGBL-QGZVFWFLSA-N 1 1 319.405 1.934 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000536597335 421722054 /nfs/dbraw/zinc/72/20/54/421722054.db2.gz YGDLSZJGNBMWCK-UHFFFAOYSA-N 1 1 318.381 1.948 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000581926076 422069686 /nfs/dbraw/zinc/06/96/86/422069686.db2.gz FEBBAOXXOMHMCT-GXFFZTMASA-N 1 1 305.334 1.380 20 5 DDBDMO COc1cc(C[N@H+](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000179866674 263362810 /nfs/dbraw/zinc/36/28/10/263362810.db2.gz RBQJUXPXUFNAGT-UHFFFAOYSA-N 1 1 320.292 1.671 20 5 DDBDMO COc1cc(C[N@@H+](C)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000179866674 263362813 /nfs/dbraw/zinc/36/28/13/263362813.db2.gz RBQJUXPXUFNAGT-UHFFFAOYSA-N 1 1 320.292 1.671 20 5 DDBDMO Cn1cc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)cn1 ZINC000342314808 271373279 /nfs/dbraw/zinc/37/32/79/271373279.db2.gz ZVSGAAYRZXSKFV-LBPRGKRZSA-N 1 1 306.370 1.939 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474116 271428476 /nfs/dbraw/zinc/42/84/76/271428476.db2.gz NKYCPKNBIQTKAA-LKFCYVNXSA-N 1 1 307.325 1.946 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344425758 272022703 /nfs/dbraw/zinc/02/27/03/272022703.db2.gz OHMXTSWQVLRGSK-PHIMTYICSA-N 1 1 309.370 1.041 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000345925769 272366451 /nfs/dbraw/zinc/36/64/51/272366451.db2.gz SAIMDUFOGUAZRS-WDEREUQCSA-N 1 1 306.366 1.853 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000413482122 274017149 /nfs/dbraw/zinc/01/71/49/274017149.db2.gz XSNRWHXVZRQXKY-UHFFFAOYSA-N 1 1 309.366 1.378 20 5 DDBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCO ZINC000302911997 274360912 /nfs/dbraw/zinc/36/09/12/274360912.db2.gz ZXANZSKTZSLSBQ-LLVKDONJSA-N 1 1 306.366 1.066 20 5 DDBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1CCO ZINC000302911997 274360914 /nfs/dbraw/zinc/36/09/14/274360914.db2.gz ZXANZSKTZSLSBQ-LLVKDONJSA-N 1 1 306.366 1.066 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCOCC1 ZINC000192613590 276722420 /nfs/dbraw/zinc/72/24/20/276722420.db2.gz YWULWQPDIBHADU-NSHDSACASA-N 1 1 311.386 1.500 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000124941007 281197747 /nfs/dbraw/zinc/19/77/47/281197747.db2.gz OJGMQQHPLDMZLT-VMPITWQZSA-N 1 1 301.346 1.915 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000126299813 281233648 /nfs/dbraw/zinc/23/36/48/281233648.db2.gz UJUFOSXWIRICRB-NSHDSACASA-N 1 1 309.370 1.036 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128404398 281310346 /nfs/dbraw/zinc/31/03/46/281310346.db2.gz VRVFGXSYFFRFQA-GFCCVEGCSA-N 1 1 323.397 1.569 20 5 DDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985819 300194257 /nfs/dbraw/zinc/19/42/57/300194257.db2.gz JVZOOQBEOJIVBQ-JKSUJKDBSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363050831 300204050 /nfs/dbraw/zinc/20/40/50/300204050.db2.gz NMAYFIITZFOZCJ-HRCADAONSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363050831 300204051 /nfs/dbraw/zinc/20/40/51/300204051.db2.gz NMAYFIITZFOZCJ-HRCADAONSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363050831 300204055 /nfs/dbraw/zinc/20/40/55/300204055.db2.gz NMAYFIITZFOZCJ-HRCADAONSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364173983 300353796 /nfs/dbraw/zinc/35/37/96/300353796.db2.gz KKHOUPHJNCJFPF-XGUBFFRZSA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364173983 300353798 /nfs/dbraw/zinc/35/37/98/300353798.db2.gz KKHOUPHJNCJFPF-XGUBFFRZSA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364173983 300353800 /nfs/dbraw/zinc/35/38/00/300353800.db2.gz KKHOUPHJNCJFPF-XGUBFFRZSA-N 1 1 318.377 1.198 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000368412122 301022437 /nfs/dbraw/zinc/02/24/37/301022437.db2.gz RCNQNIBISWBXIF-ZDUSSCGKSA-N 1 1 303.322 1.512 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000368717621 301080582 /nfs/dbraw/zinc/08/05/82/301080582.db2.gz YLWMRWVTJWCXGR-UHFFFAOYSA-N 1 1 319.361 1.696 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000368717621 301080585 /nfs/dbraw/zinc/08/05/85/301080585.db2.gz YLWMRWVTJWCXGR-UHFFFAOYSA-N 1 1 319.361 1.696 20 5 DDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818582 301092361 /nfs/dbraw/zinc/09/23/61/301092361.db2.gz UIKMNBHQDOIQGO-LSDHHAIUSA-N 1 1 318.377 1.170 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369143537 301136479 /nfs/dbraw/zinc/13/64/79/301136479.db2.gz KWOZVDDEPSBEQC-ZJUUUORDSA-N 1 1 307.354 1.237 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369143534 301136601 /nfs/dbraw/zinc/13/66/01/301136601.db2.gz KWOZVDDEPSBEQC-NXEZZACHSA-N 1 1 307.354 1.237 20 5 DDBDMO COC(C)(C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000531829407 303259784 /nfs/dbraw/zinc/25/97/84/303259784.db2.gz HIDDBKIFLGPWJN-CYBMUJFWSA-N 1 1 312.366 1.691 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362091390 307014272 /nfs/dbraw/zinc/01/42/72/307014272.db2.gz UQBLICXTDQIMAN-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccnc(N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000363917265 307037529 /nfs/dbraw/zinc/03/75/29/307037529.db2.gz FHWNRRSFEBBZOF-LBPRGKRZSA-N 1 1 308.407 1.926 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000367142448 307087010 /nfs/dbraw/zinc/08/70/10/307087010.db2.gz WRUWXULKRUQLLF-GFCCVEGCSA-N 1 1 303.318 1.839 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367377995 307092357 /nfs/dbraw/zinc/09/23/57/307092357.db2.gz NVERFTSOIPHBAB-QWRGUYRKSA-N 1 1 320.349 1.119 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@H]21 ZINC000376662930 307252475 /nfs/dbraw/zinc/25/24/75/307252475.db2.gz DANQRIJTORCLAL-ZWNOBZJWSA-N 1 1 307.325 1.900 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000510146626 307398997 /nfs/dbraw/zinc/39/89/97/307398997.db2.gz WYTJNMPXRNFPJO-BETUJISGSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000510146626 307398998 /nfs/dbraw/zinc/39/89/98/307398998.db2.gz WYTJNMPXRNFPJO-BETUJISGSA-N 1 1 307.350 1.951 20 5 DDBDMO CCc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000565715625 308038287 /nfs/dbraw/zinc/03/82/87/308038287.db2.gz HZRQHQBXQXPOLS-JTQLQIEISA-N 1 1 313.379 1.140 20 5 DDBDMO C[N@@H+](C[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117003 308043702 /nfs/dbraw/zinc/04/37/02/308043702.db2.gz LJAOSOAPYKYLDO-CQSZACIVSA-N 1 1 309.366 1.018 20 5 DDBDMO CN(C[C@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117003 308043703 /nfs/dbraw/zinc/04/37/03/308043703.db2.gz LJAOSOAPYKYLDO-CQSZACIVSA-N 1 1 309.366 1.018 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000574228348 308265767 /nfs/dbraw/zinc/26/57/67/308265767.db2.gz ZBXWQMNEJKGHPQ-DOMZBBRYSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000574228348 308265768 /nfs/dbraw/zinc/26/57/68/308265768.db2.gz ZBXWQMNEJKGHPQ-DOMZBBRYSA-N 1 1 324.377 1.557 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488801829 484219281 /nfs/dbraw/zinc/21/92/81/484219281.db2.gz NHVIXJIZBKDJLO-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875161 490372381 /nfs/dbraw/zinc/37/23/81/490372381.db2.gz PWFBSUPWRHBQGQ-DVOMOZLQSA-N 1 1 324.377 1.285 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000181784963 490688585 /nfs/dbraw/zinc/68/85/85/490688585.db2.gz WIOHNPUZSLYGIJ-SNVBAGLBSA-N 1 1 300.318 1.940 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459638448 528210844 /nfs/dbraw/zinc/21/08/44/528210844.db2.gz BYRFKFNZKBXMFD-MRXNPFEDSA-N 1 1 324.377 1.701 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459638448 528210847 /nfs/dbraw/zinc/21/08/47/528210847.db2.gz BYRFKFNZKBXMFD-MRXNPFEDSA-N 1 1 324.377 1.701 20 5 DDBDMO CCOc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419007321 528312947 /nfs/dbraw/zinc/31/29/47/528312947.db2.gz RKITYCALSFULKG-CHWSQXEVSA-N 1 1 323.393 1.885 20 5 DDBDMO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330710593 529122916 /nfs/dbraw/zinc/12/29/16/529122916.db2.gz XIWNIVHXDIPUTE-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330710593 529122917 /nfs/dbraw/zinc/12/29/17/529122917.db2.gz XIWNIVHXDIPUTE-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525085 700013276 /nfs/dbraw/zinc/01/32/76/700013276.db2.gz AKODOWSXMQAENN-HIFRSBDPSA-N 1 1 307.350 1.086 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000054421530 696275862 /nfs/dbraw/zinc/27/58/62/696275862.db2.gz QMCFNSFPXFWJML-UHFFFAOYSA-N 1 1 301.350 1.567 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070076981 696387152 /nfs/dbraw/zinc/38/71/52/696387152.db2.gz DRSUPVCBPYVIJT-PHIMTYICSA-N 1 1 313.379 1.274 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194732202 697719222 /nfs/dbraw/zinc/71/92/22/697719222.db2.gz CLNXPGZDNJNLDV-SNVBAGLBSA-N 1 1 322.321 1.635 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000223468270 697761520 /nfs/dbraw/zinc/76/15/20/697761520.db2.gz DKYLCCMURVKSAA-UHFFFAOYSA-N 1 1 319.409 1.514 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678496 700176397 /nfs/dbraw/zinc/17/63/97/700176397.db2.gz SRUWIYVQWAKQAH-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678496 700176401 /nfs/dbraw/zinc/17/64/01/700176401.db2.gz SRUWIYVQWAKQAH-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000775100189 697962652 /nfs/dbraw/zinc/96/26/52/697962652.db2.gz BMGVMDGDFXPSAY-SKDRFNHKSA-N 1 1 323.305 1.886 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000775100189 697962654 /nfs/dbraw/zinc/96/26/54/697962654.db2.gz BMGVMDGDFXPSAY-SKDRFNHKSA-N 1 1 323.305 1.886 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578185 698119948 /nfs/dbraw/zinc/11/99/48/698119948.db2.gz CGSMCFHUWYNXKD-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578185 698119952 /nfs/dbraw/zinc/11/99/52/698119952.db2.gz CGSMCFHUWYNXKD-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592139 698123504 /nfs/dbraw/zinc/12/35/04/698123504.db2.gz YZRRWJVICUUHRF-JKSUJKDBSA-N 1 1 324.377 1.756 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246354040 698348308 /nfs/dbraw/zinc/34/83/08/698348308.db2.gz WOEMMHMHEKODFY-XHDPSFHLSA-N 1 1 322.361 1.902 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+]CCS(=O)(=O)N2CCCC2)cs1 ZINC000721888283 699316345 /nfs/dbraw/zinc/31/63/45/699316345.db2.gz ANAWNVUEXSAPRT-UHFFFAOYSA-N 1 1 319.408 1.172 20 5 DDBDMO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000733164655 699581469 /nfs/dbraw/zinc/58/14/69/699581469.db2.gz ARROZFWVYUMPJX-CYBMUJFWSA-N 1 1 319.365 1.787 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751949551 700329900 /nfs/dbraw/zinc/32/99/00/700329900.db2.gz LQWJNTAPBYORQY-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000801986911 700361960 /nfs/dbraw/zinc/36/19/60/700361960.db2.gz YFMJHTTXHMMZHD-RYUDHWBXSA-N 1 1 302.277 1.942 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000801986911 700361963 /nfs/dbraw/zinc/36/19/63/700361963.db2.gz YFMJHTTXHMMZHD-RYUDHWBXSA-N 1 1 302.277 1.942 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000754227935 700490732 /nfs/dbraw/zinc/49/07/32/700490732.db2.gz CVSDWMFFPDOABD-SNVBAGLBSA-N 1 1 322.321 1.669 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000754227935 700490733 /nfs/dbraw/zinc/49/07/33/700490733.db2.gz CVSDWMFFPDOABD-SNVBAGLBSA-N 1 1 322.321 1.669 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761077377 700840201 /nfs/dbraw/zinc/84/02/01/700840201.db2.gz RTSBDVIZGKKQQU-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO O=[N+]([O-])c1cnn(CCNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000768538955 701185421 /nfs/dbraw/zinc/18/54/21/701185421.db2.gz NGUYTNLMKQJORC-UHFFFAOYSA-N 1 1 303.326 1.294 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000769745503 701254777 /nfs/dbraw/zinc/25/47/77/701254777.db2.gz CNMLCMBPBZAZFZ-UHFFFAOYSA-N 1 1 317.349 1.620 20 5 DDBDMO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839502367 701718468 /nfs/dbraw/zinc/71/84/68/701718468.db2.gz IIVNKZHHWDBSJX-QLFBSQMISA-N 1 1 303.362 1.605 20 5 DDBDMO CC(C)(C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839514 701859578 /nfs/dbraw/zinc/85/95/78/701859578.db2.gz BSOLGBGUNNNJDT-WCQYABFASA-N 1 1 322.365 1.696 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000840092514 701964954 /nfs/dbraw/zinc/96/49/54/701964954.db2.gz WJGLVTXYVGKGIB-LBPRGKRZSA-N 1 1 318.381 1.631 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000811601925 702015730 /nfs/dbraw/zinc/01/57/30/702015730.db2.gz SBMOYRIIYHFQSK-NSHDSACASA-N 1 1 308.382 1.944 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206763 706648434 /nfs/dbraw/zinc/64/84/34/706648434.db2.gz NAYJROBUMLTZJL-NEPJUHHUSA-N 1 1 304.350 1.224 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000831175136 706649901 /nfs/dbraw/zinc/64/99/01/706649901.db2.gz FVKYSZQPRMFPJK-YPMHNXCESA-N 1 1 302.277 1.330 20 5 DDBDMO CO[C@@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172855 702308085 /nfs/dbraw/zinc/30/80/85/702308085.db2.gz OZQIRFUQJHGADM-FZMZJTMJSA-N 1 1 308.334 1.747 20 5 DDBDMO CO[C@@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172855 702308089 /nfs/dbraw/zinc/30/80/89/702308089.db2.gz OZQIRFUQJHGADM-FZMZJTMJSA-N 1 1 308.334 1.747 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817371917 702358523 /nfs/dbraw/zinc/35/85/23/702358523.db2.gz FNIXVRPDFFUDAJ-CQSZACIVSA-N 1 1 303.366 1.928 20 5 DDBDMO O=C1O[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000844312612 703011039 /nfs/dbraw/zinc/01/10/39/703011039.db2.gz DFRKDIJOEXUAFU-ZDUSSCGKSA-N 1 1 318.333 1.331 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000844312612 703011042 /nfs/dbraw/zinc/01/10/42/703011042.db2.gz DFRKDIJOEXUAFU-ZDUSSCGKSA-N 1 1 318.333 1.331 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852695836 704101545 /nfs/dbraw/zinc/10/15/45/704101545.db2.gz GYLQUSUNUYXAAK-KWCYVHTRSA-N 1 1 308.334 1.512 20 5 DDBDMO COC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000852765439 704118831 /nfs/dbraw/zinc/11/88/31/704118831.db2.gz RKXVRFPNXHPDMK-UHFFFAOYSA-N 1 1 323.349 1.924 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871152293 704231996 /nfs/dbraw/zinc/23/19/96/704231996.db2.gz AFGZONRWDVUQAV-UHFFFAOYSA-N 1 1 309.370 1.193 20 5 DDBDMO CN1CC(C[N@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000853553121 704266834 /nfs/dbraw/zinc/26/68/34/704266834.db2.gz BFBHZSAWLLSWKB-UHFFFAOYSA-N 1 1 315.377 1.909 20 5 DDBDMO CN1CC(C[N@@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000853553121 704266836 /nfs/dbraw/zinc/26/68/36/704266836.db2.gz BFBHZSAWLLSWKB-UHFFFAOYSA-N 1 1 315.377 1.909 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000822152025 704885627 /nfs/dbraw/zinc/88/56/27/704885627.db2.gz QIGUGQPYYPCXJF-GFCCVEGCSA-N 1 1 309.370 1.041 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])n1 ZINC000876626863 705790580 /nfs/dbraw/zinc/79/05/80/705790580.db2.gz KRLJXMAGRFBONE-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300341 705971025 /nfs/dbraw/zinc/97/10/25/705971025.db2.gz MJACEPXRDOTZIK-GDBMZVCRSA-N 1 1 317.389 1.998 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000863832220 706023903 /nfs/dbraw/zinc/02/39/03/706023903.db2.gz VOZAAMIGDRFXOF-VIFPVBQESA-N 1 1 313.741 1.045 20 5 DDBDMO C[C@@H]1C[C@@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000877831481 706226953 /nfs/dbraw/zinc/22/69/53/706226953.db2.gz UXWOMRDUAOLYJZ-WXYCVUISSA-N 1 1 323.393 1.061 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000877831481 706226955 /nfs/dbraw/zinc/22/69/55/706226955.db2.gz UXWOMRDUAOLYJZ-WXYCVUISSA-N 1 1 323.393 1.061 20 5 DDBDMO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879040182 706569598 /nfs/dbraw/zinc/56/95/98/706569598.db2.gz AXQBILLXDBJNAM-ZDUSSCGKSA-N 1 1 313.304 1.769 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000872127710 707297993 /nfs/dbraw/zinc/29/79/93/707297993.db2.gz WGOHSFDZLSHTNB-KCPJHIHWSA-N 1 1 316.361 1.778 20 5 DDBDMO CN1CCCC[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265669 707355629 /nfs/dbraw/zinc/35/56/29/707355629.db2.gz VALIDUBPBXBUIY-HUUCEWRRSA-N 1 1 321.377 1.571 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265669 707355636 /nfs/dbraw/zinc/35/56/36/707355636.db2.gz VALIDUBPBXBUIY-HUUCEWRRSA-N 1 1 321.377 1.571 20 5 DDBDMO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2cccnc21 ZINC000872317950 707380502 /nfs/dbraw/zinc/38/05/02/707380502.db2.gz DCNVNVAUKPAJAV-UHFFFAOYSA-N 1 1 302.338 1.138 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779584 707596768 /nfs/dbraw/zinc/59/67/68/707596768.db2.gz GTERTWXKJNRIIW-KGLIPLIRSA-N 1 1 306.366 1.342 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781605 707597761 /nfs/dbraw/zinc/59/77/61/707597761.db2.gz VZKYNHHMICEPEL-OLZOCXBDSA-N 1 1 318.377 1.627 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403308 709037456 /nfs/dbraw/zinc/03/74/56/709037456.db2.gz SZEOWTDITPDZOM-IUODEOHRSA-N 1 1 321.377 1.535 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403308 709037459 /nfs/dbraw/zinc/03/74/59/709037459.db2.gz SZEOWTDITPDZOM-IUODEOHRSA-N 1 1 321.377 1.535 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887924350 709165067 /nfs/dbraw/zinc/16/50/67/709165067.db2.gz HQGDOZLUGIWVSU-WBMJQRKESA-N 1 1 321.352 1.687 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@@H+]1CCc2sccc2C1 ZINC000891966326 710341715 /nfs/dbraw/zinc/34/17/15/710341715.db2.gz NAVWBURNMPIBDZ-UHFFFAOYSA-N 1 1 307.379 1.860 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CCc2sccc2C1 ZINC000891966326 710341717 /nfs/dbraw/zinc/34/17/17/710341717.db2.gz NAVWBURNMPIBDZ-UHFFFAOYSA-N 1 1 307.379 1.860 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452782 713203665 /nfs/dbraw/zinc/20/36/65/713203665.db2.gz JKDBAAREQHFQDM-GXFFZTMASA-N 1 1 309.391 1.896 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637879 710833040 /nfs/dbraw/zinc/83/30/40/710833040.db2.gz KTQAUNVEMMGILO-OCCSQVGLSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637879 710833043 /nfs/dbraw/zinc/83/30/43/710833043.db2.gz KTQAUNVEMMGILO-OCCSQVGLSA-N 1 1 317.349 1.920 20 5 DDBDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000893872773 710867228 /nfs/dbraw/zinc/86/72/28/710867228.db2.gz VFTKPFOEBANLGB-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000902806551 710907632 /nfs/dbraw/zinc/90/76/32/710907632.db2.gz LXOYNBGDWASQGO-GASCZTMLSA-N 1 1 306.366 1.347 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000894803453 711276687 /nfs/dbraw/zinc/27/66/87/711276687.db2.gz YXBQDSBACCSYMK-GASCZTMLSA-N 1 1 307.398 1.898 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@H]21 ZINC000895021673 711372684 /nfs/dbraw/zinc/37/26/84/711372684.db2.gz HUOXPPDSBAEUGC-MWLCHTKSSA-N 1 1 303.322 1.661 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328403 711485788 /nfs/dbraw/zinc/48/57/88/711485788.db2.gz FZUADFQDTPVDTO-ZWNOBZJWSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328403 711485789 /nfs/dbraw/zinc/48/57/89/711485789.db2.gz FZUADFQDTPVDTO-ZWNOBZJWSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1c(O)ccc(C[N@H+](C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000895364441 711494814 /nfs/dbraw/zinc/49/48/14/711494814.db2.gz PVWZBWZOBDGVBR-LLVKDONJSA-N 1 1 312.322 1.156 20 5 DDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@@H]2COCCO2)c1[N+](=O)[O-] ZINC000895364441 711494817 /nfs/dbraw/zinc/49/48/17/711494817.db2.gz PVWZBWZOBDGVBR-LLVKDONJSA-N 1 1 312.322 1.156 20 5 DDBDMO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1C ZINC000895735271 711590477 /nfs/dbraw/zinc/59/04/77/711590477.db2.gz CBRDJOPBCDHFMI-RNFRBKRXSA-N 1 1 307.276 1.852 20 5 DDBDMO C[C@@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737535 711590876 /nfs/dbraw/zinc/59/08/76/711590876.db2.gz AZFLAUXCEGRXHF-ZWNOBZJWSA-N 1 1 318.377 1.992 20 5 DDBDMO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@H+]1C ZINC000895739554 711591649 /nfs/dbraw/zinc/59/16/49/711591649.db2.gz GWAMZUUMLUEGIS-IUCAKERBSA-N 1 1 306.322 1.430 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000895771330 711602203 /nfs/dbraw/zinc/60/22/03/711602203.db2.gz YHOLMYRLUUFVMP-AWEZNQCLSA-N 1 1 320.393 1.543 20 5 DDBDMO Cn1c2ccccc2c(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1=O ZINC000895776908 711604111 /nfs/dbraw/zinc/60/41/11/711604111.db2.gz NTUKOVVRMIYHLQ-JTQLQIEISA-N 1 1 302.334 1.563 20 5 DDBDMO Cn1c2ccccc2c(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1=O ZINC000895776908 711604112 /nfs/dbraw/zinc/60/41/12/711604112.db2.gz NTUKOVVRMIYHLQ-JTQLQIEISA-N 1 1 302.334 1.563 20 5 DDBDMO CN1CC[NH+](CCOc2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905331533 712004709 /nfs/dbraw/zinc/00/47/09/712004709.db2.gz XSWDXSJXFAJEME-UHFFFAOYSA-N 1 1 308.382 1.001 20 5 DDBDMO C[N@@H+](CCN1CCN(CC[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000929606465 713650604 /nfs/dbraw/zinc/65/06/04/713650604.db2.gz NMRYKYLGZILKET-UHFFFAOYSA-N 1 1 306.410 1.013 20 5 DDBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930032437 713739995 /nfs/dbraw/zinc/73/99/95/713739995.db2.gz QMTPTTGFHXABAF-NWDGAFQWSA-N 1 1 301.387 1.888 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930353100 713811798 /nfs/dbraw/zinc/81/17/98/713811798.db2.gz HFWIBODEMPHSNK-VNQPRFMTSA-N 1 1 306.362 1.873 20 5 DDBDMO C[C@H]1[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000922556752 714087840 /nfs/dbraw/zinc/08/78/40/714087840.db2.gz JKTKCGRYKMGLSF-CMPLNLGQSA-N 1 1 307.350 1.548 20 5 DDBDMO C[C@H]1[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000922556752 714087842 /nfs/dbraw/zinc/08/78/42/714087842.db2.gz JKTKCGRYKMGLSF-CMPLNLGQSA-N 1 1 307.350 1.548 20 5 DDBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931675907 714158217 /nfs/dbraw/zinc/15/82/17/714158217.db2.gz RJAYMJOBJVIHCH-ZDUSSCGKSA-N 1 1 314.313 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932003466 714230814 /nfs/dbraw/zinc/23/08/14/714230814.db2.gz PWASTLKWPCSLRX-TZMCWYRMSA-N 1 1 308.334 1.323 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923264706 714289158 /nfs/dbraw/zinc/28/91/58/714289158.db2.gz MFRKESDBCRHWAF-NWANDNLSSA-N 1 1 319.361 1.323 20 5 DDBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923497705 714378830 /nfs/dbraw/zinc/37/88/30/714378830.db2.gz CMVOTGKBZAZCKN-QWHCGFSZSA-N 1 1 320.393 1.474 20 5 DDBDMO CCO[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000932979085 714448329 /nfs/dbraw/zinc/44/83/29/714448329.db2.gz FSEYOOSRCGHGRP-ZFWWWQNUSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934255064 714776033 /nfs/dbraw/zinc/77/60/33/714776033.db2.gz OJJICVSFFDOSSH-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934255064 714776037 /nfs/dbraw/zinc/77/60/37/714776037.db2.gz OJJICVSFFDOSSH-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934255064 714776039 /nfs/dbraw/zinc/77/60/39/714776039.db2.gz OJJICVSFFDOSSH-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H](O)[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580214 714857922 /nfs/dbraw/zinc/85/79/22/714857922.db2.gz XDEASSXBUQIEQA-OLZOCXBDSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@H](O)[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580214 714857923 /nfs/dbraw/zinc/85/79/23/714857923.db2.gz XDEASSXBUQIEQA-OLZOCXBDSA-N 1 1 311.313 1.328 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000934763120 714897046 /nfs/dbraw/zinc/89/70/46/714897046.db2.gz YPFODDBSGORYJY-HZSPNIEDSA-N 1 1 308.382 1.663 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936057368 715146594 /nfs/dbraw/zinc/14/65/94/715146594.db2.gz KFULLBDQFWEJMB-LLVKDONJSA-N 1 1 311.386 1.336 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164643442 719217663 /nfs/dbraw/zinc/21/76/63/719217663.db2.gz YVJKPLLLUMSRBP-QWRGUYRKSA-N 1 1 322.365 1.695 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001164674826 719425677 /nfs/dbraw/zinc/42/56/77/719425677.db2.gz XOBFLWRFKXMHKS-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO Cc1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609669434 721904222 /nfs/dbraw/zinc/90/42/22/721904222.db2.gz DZNGPAYJKYVGRQ-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167751023 737701747 /nfs/dbraw/zinc/70/17/47/737701747.db2.gz DJMOUXAGUSFNSO-GFCCVEGCSA-N 1 1 308.382 1.970 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(Cl)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126932289 742777269 /nfs/dbraw/zinc/77/72/69/742777269.db2.gz QRBDMUPDHXPALJ-ZYHUDNBSSA-N 1 1 315.732 1.350 20 5 DDBDMO CCc1ccccc1CC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936427 742833029 /nfs/dbraw/zinc/83/30/29/742833029.db2.gz HDKNDJUYFJKCAX-HUUCEWRRSA-N 1 1 305.378 1.163 20 5 DDBDMO O=[N+]([O-])c1cc(NCC2([NH+]3CCCC3)COC2)cn2ccnc12 ZINC001168451083 745113025 /nfs/dbraw/zinc/11/30/25/745113025.db2.gz GACMWCQNNLXCTP-UHFFFAOYSA-N 1 1 317.349 1.519 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cocn1 ZINC001031580554 747100926 /nfs/dbraw/zinc/10/09/26/747100926.db2.gz WFHSCDXPLPGCHF-UHFFFAOYSA-N 1 1 316.317 1.445 20 5 DDBDMO Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC001031662405 747337507 /nfs/dbraw/zinc/33/75/07/747337507.db2.gz DOKYILMIMIVMKM-HZPDHXFCSA-N 1 1 317.389 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001200472111 748265554 /nfs/dbraw/zinc/26/55/54/748265554.db2.gz MOGKGZKQAQFVCJ-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169029691 762186362 /nfs/dbraw/zinc/18/63/62/762186362.db2.gz VFSCUCSJTKGPJQ-YNEHKIRRSA-N 1 1 312.366 1.276 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2cncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398461 762824340 /nfs/dbraw/zinc/82/43/40/762824340.db2.gz FLYZLOLJBHPAHT-CHWSQXEVSA-N 1 1 324.406 1.137 20 5 DDBDMO COc1ccc(C[C@@H](C)n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001170306979 766258627 /nfs/dbraw/zinc/25/86/27/766258627.db2.gz CLBCISMBRLQAEE-SNVBAGLBSA-N 1 1 317.349 1.542 20 5 DDBDMO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525472 769493582 /nfs/dbraw/zinc/49/35/82/769493582.db2.gz WVFVAUIFZNYYGA-XLWJZTARSA-N 1 1 309.410 1.811 20 5 DDBDMO CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525472 769493587 /nfs/dbraw/zinc/49/35/87/769493587.db2.gz WVFVAUIFZNYYGA-XLWJZTARSA-N 1 1 309.410 1.811 20 5 DDBDMO CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525472 769493590 /nfs/dbraw/zinc/49/35/90/769493590.db2.gz WVFVAUIFZNYYGA-XLWJZTARSA-N 1 1 309.410 1.811 20 5 DDBDMO CCCCC1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001133360433 769726648 /nfs/dbraw/zinc/72/66/48/769726648.db2.gz SCBMCAUNINBCLE-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO CN1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172907727 776917885 /nfs/dbraw/zinc/91/78/85/776917885.db2.gz HTUMYLPHWJRARA-CQSZACIVSA-N 1 1 303.362 1.616 20 5 DDBDMO CN1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172907727 776917890 /nfs/dbraw/zinc/91/78/90/776917890.db2.gz HTUMYLPHWJRARA-CQSZACIVSA-N 1 1 303.362 1.616 20 5 DDBDMO CCN(CC)CCNC(=[NH2+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218474 777049926 /nfs/dbraw/zinc/04/99/26/777049926.db2.gz BFGGTDHZVUVHEM-ZDUSSCGKSA-N 1 1 321.425 1.982 20 5 DDBDMO CNC(=O)N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232394 777063249 /nfs/dbraw/zinc/06/32/49/777063249.db2.gz QWLOCNLWRRSNND-LBPRGKRZSA-N 1 1 306.366 1.483 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101704642 777413365 /nfs/dbraw/zinc/41/33/65/777413365.db2.gz UJRIVPCPGSWELR-UHFFFAOYSA-N 1 1 309.370 1.202 20 5 DDBDMO Cc1cnoc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267225027 837561069 /nfs/dbraw/zinc/56/10/69/837561069.db2.gz OUNHAAYQSPMRNE-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001272726443 846724242 /nfs/dbraw/zinc/72/42/42/846724242.db2.gz DHTVUNWODUCIES-SPYGVBLXSA-N 1 1 315.801 1.669 20 5 DDBDMO CC(C)[N@H+](C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001152440093 863345168 /nfs/dbraw/zinc/34/51/68/863345168.db2.gz YGOMTTNSCYFFEM-UHFFFAOYSA-N 1 1 314.411 1.202 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001152440093 863345183 /nfs/dbraw/zinc/34/51/83/863345183.db2.gz YGOMTTNSCYFFEM-UHFFFAOYSA-N 1 1 314.411 1.202 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001121794117 858598347 /nfs/dbraw/zinc/59/83/47/858598347.db2.gz WMZWWXYOIOLOHX-LBPRGKRZSA-N 1 1 310.402 1.556 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001203061448 860686178 /nfs/dbraw/zinc/68/61/78/860686178.db2.gz OAVJTOQLHCUIBC-NSHDSACASA-N 1 1 307.354 1.183 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001141196752 860807321 /nfs/dbraw/zinc/80/73/21/860807321.db2.gz LSULSESLIOACHR-RISCZKNCSA-N 1 1 304.350 1.413 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)C(C)C)C2)n1 ZINC001157010831 863516262 /nfs/dbraw/zinc/51/62/62/863516262.db2.gz TZHCSYMTCVJHCL-LLVKDONJSA-N 1 1 309.370 1.621 20 5 DDBDMO O=C(NCCC[NH2+]CCCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767468 864117990 /nfs/dbraw/zinc/11/79/90/864117990.db2.gz NOERSCJPUIEUCB-HZPDHXFCSA-N 1 1 319.405 1.770 20 5 DDBDMO CSc1nc(Cl)nc(N2CC[N@@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158434995 864654645 /nfs/dbraw/zinc/65/46/45/864654645.db2.gz UGOBRYGOIGEUJM-ZETCQYMHSA-N 1 1 315.786 1.654 20 5 DDBDMO CSc1nc(Cl)nc(N2CC[N@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158434995 864654660 /nfs/dbraw/zinc/65/46/60/864654660.db2.gz UGOBRYGOIGEUJM-ZETCQYMHSA-N 1 1 315.786 1.654 20 5 DDBDMO CC/C(C)=C/C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277049251 881869144 /nfs/dbraw/zinc/86/91/44/881869144.db2.gz PXKAHENYPJYCKK-YRNVUSSQSA-N 1 1 321.381 1.423 20 5 DDBDMO CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001162690166 867739253 /nfs/dbraw/zinc/73/92/53/867739253.db2.gz TUQRCHNNYKBRFU-GFCCVEGCSA-N 1 1 320.393 1.325 20 5 DDBDMO CN1CCO[C@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001162690166 867739260 /nfs/dbraw/zinc/73/92/60/867739260.db2.gz TUQRCHNNYKBRFU-GFCCVEGCSA-N 1 1 320.393 1.325 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2nccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490753 869229982 /nfs/dbraw/zinc/22/99/82/869229982.db2.gz UYZIQVCQGCOUJY-GHMZBOCLSA-N 1 1 324.406 1.184 20 5 DDBDMO COc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001338295402 869909943 /nfs/dbraw/zinc/90/99/43/869909943.db2.gz RQQJKVGVHCVURI-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@H]1CC[N@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493462 870012434 /nfs/dbraw/zinc/01/24/34/870012434.db2.gz ZTDOGKHZGBKAJG-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493462 870012450 /nfs/dbraw/zinc/01/24/50/870012450.db2.gz ZTDOGKHZGBKAJG-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001308171583 871477148 /nfs/dbraw/zinc/47/71/48/871477148.db2.gz VKCLWKIADIORFB-GJZGRUSLSA-N 1 1 324.381 1.187 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226915353 882717554 /nfs/dbraw/zinc/71/75/54/882717554.db2.gz GMVSEIOYAHEORU-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001227043355 882790779 /nfs/dbraw/zinc/79/07/79/882790779.db2.gz DJGOTTMBFPRPLI-NSHDSACASA-N 1 1 317.301 1.972 20 5 DDBDMO COc1c(O)ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001355320573 878498026 /nfs/dbraw/zinc/49/80/26/878498026.db2.gz CEALFXWNBPDUBD-CMPLNLGQSA-N 1 1 307.350 1.445 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccnc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228056976 883310615 /nfs/dbraw/zinc/31/06/15/883310615.db2.gz JZUFWFXDTJHNLT-NMLBEHRDSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccnc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228056976 883310633 /nfs/dbraw/zinc/31/06/33/883310633.db2.gz JZUFWFXDTJHNLT-NMLBEHRDSA-N 1 1 311.725 1.826 20 5 DDBDMO CC(C)[N@@H+]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228603018 883568004 /nfs/dbraw/zinc/56/80/04/883568004.db2.gz HZCHEYXKMIEQDA-JTQLQIEISA-N 1 1 308.338 1.829 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228603018 883568014 /nfs/dbraw/zinc/56/80/14/883568014.db2.gz HZCHEYXKMIEQDA-JTQLQIEISA-N 1 1 308.338 1.829 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC001254177960 896284474 /nfs/dbraw/zinc/28/44/74/896284474.db2.gz QHOBRDYRBLMMAV-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001254562874 896502476 /nfs/dbraw/zinc/50/24/76/896502476.db2.gz QKPRWMRYZQAKBV-GOEBONIOSA-N 1 1 319.405 1.932 20 5 DDBDMO O=C1NCC[C@@]12CCC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598325 896525500 /nfs/dbraw/zinc/52/55/00/896525500.db2.gz WHRJMOOUTXTYJI-NVXWUHKLSA-N 1 1 315.373 1.664 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001262705524 900320720 /nfs/dbraw/zinc/32/07/20/900320720.db2.gz LIMGDEHWRCWJDU-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001262705524 900320726 /nfs/dbraw/zinc/32/07/26/900320726.db2.gz LIMGDEHWRCWJDU-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001263676063 900668114 /nfs/dbraw/zinc/66/81/14/900668114.db2.gz FYMXXAPGPJEQQC-RYUDHWBXSA-N 1 1 322.413 1.384 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001263980015 900853630 /nfs/dbraw/zinc/85/36/30/900853630.db2.gz LEJBWASZLQXSAR-KCPJHIHWSA-N 1 1 303.362 1.973 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001265581123 902155993 /nfs/dbraw/zinc/15/59/93/902155993.db2.gz QPVKZRBTWBKZJE-CYBMUJFWSA-N 1 1 320.393 1.928 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C(C)(C)C ZINC001307195212 915850073 /nfs/dbraw/zinc/85/00/73/915850073.db2.gz BMSLHZSNVFMCMH-GFCCVEGCSA-N 1 1 321.381 1.255 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000248676004 282098922 /nfs/dbraw/zinc/09/89/22/282098922.db2.gz TWCQAYSQYPHLMQ-WDEREUQCSA-N 1 1 309.370 1.366 20 5 DDBDMO CN1CC[NH+](CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278528976 214215470 /nfs/dbraw/zinc/21/54/70/214215470.db2.gz TZFYXUSHNFQDFM-UHFFFAOYSA-N 1 1 304.354 1.130 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452064488 231287023 /nfs/dbraw/zinc/28/70/23/231287023.db2.gz FLPOSEODXIRBNI-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452064488 231287027 /nfs/dbraw/zinc/28/70/27/231287027.db2.gz FLPOSEODXIRBNI-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072219 231290627 /nfs/dbraw/zinc/29/06/27/231290627.db2.gz WIVAFEZXICPFTG-BXUZGUMPSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452126069 231313187 /nfs/dbraw/zinc/31/31/87/231313187.db2.gz TZIQTMRWBLGYAA-ZIAGYGMSSA-N 1 1 324.377 1.429 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000453046874 231456628 /nfs/dbraw/zinc/45/66/28/231456628.db2.gz YRHOZWOCLGIWTF-KFWWJZLASA-N 1 1 306.366 1.273 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614923254 362080637 /nfs/dbraw/zinc/08/06/37/362080637.db2.gz AJLSKJQTXCLBCY-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551753 185302653 /nfs/dbraw/zinc/30/26/53/185302653.db2.gz NJHWJFBSJJFHIV-CYBMUJFWSA-N 1 1 308.382 1.030 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292352948 529801471 /nfs/dbraw/zinc/80/14/71/529801471.db2.gz VOFNPVNQVFLDJQ-OAHLLOKOSA-N 1 1 307.325 1.902 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000181644473 199332136 /nfs/dbraw/zinc/33/21/36/199332136.db2.gz MKFVNZSTJWOKKL-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272655475 282318067 /nfs/dbraw/zinc/31/80/67/282318067.db2.gz QOENHQLPGOEZRN-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO CON1CCC([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000459575609 233327146 /nfs/dbraw/zinc/32/71/46/233327146.db2.gz GIJFPXYXFXLOID-UHFFFAOYSA-N 1 1 322.365 1.491 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172423045 198094947 /nfs/dbraw/zinc/09/49/47/198094947.db2.gz LTBUHBBRWORPFL-UHFFFAOYSA-N 1 1 321.381 1.268 20 5 DDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029622297 352242201 /nfs/dbraw/zinc/24/22/01/352242201.db2.gz WTHKFIJWUSFXGI-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000045428117 352410708 /nfs/dbraw/zinc/41/07/08/352410708.db2.gz WYTXZMFOCNVNDZ-UHFFFAOYSA-N 1 1 322.321 1.669 20 5 DDBDMO CC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045753205 352422292 /nfs/dbraw/zinc/42/22/92/352422292.db2.gz LGBLTSUGWVIAHP-KBPBESRZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045753205 352422298 /nfs/dbraw/zinc/42/22/98/352422298.db2.gz LGBLTSUGWVIAHP-KBPBESRZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858393 191239878 /nfs/dbraw/zinc/23/98/78/191239878.db2.gz BTYNGUTYUDSHKK-LBPRGKRZSA-N 1 1 320.393 1.467 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000069470742 353162216 /nfs/dbraw/zinc/16/22/16/353162216.db2.gz SIHCLXMCGFJCCX-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022587 353501662 /nfs/dbraw/zinc/50/16/62/353501662.db2.gz VYRSHBMMNOOMBW-HNNXBMFYSA-N 1 1 320.393 1.731 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)C3CC3)o2)cc1 ZINC000079482882 353563576 /nfs/dbraw/zinc/56/35/76/353563576.db2.gz OKZPWYBEGXFUPS-UHFFFAOYSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)C3CC3)o2)cc1 ZINC000079482882 353563578 /nfs/dbraw/zinc/56/35/78/353563578.db2.gz OKZPWYBEGXFUPS-UHFFFAOYSA-N 1 1 304.306 1.602 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000080374903 353604316 /nfs/dbraw/zinc/60/43/16/353604316.db2.gz LGTMNMVNPFUBPI-UHFFFAOYSA-N 1 1 318.333 1.685 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000080617559 353618749 /nfs/dbraw/zinc/61/87/49/353618749.db2.gz MYEWIOCWPGOCNU-ZDUSSCGKSA-N 1 1 322.409 1.789 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108307433 353950837 /nfs/dbraw/zinc/95/08/37/353950837.db2.gz SMJUTGSIRMKRPW-NSHDSACASA-N 1 1 307.325 1.948 20 5 DDBDMO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000617751299 363287785 /nfs/dbraw/zinc/28/77/85/363287785.db2.gz FHMPGKJKYBEFSW-SLEUVZQESA-N 1 1 321.377 1.534 20 5 DDBDMO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000617751299 363287788 /nfs/dbraw/zinc/28/77/88/363287788.db2.gz FHMPGKJKYBEFSW-SLEUVZQESA-N 1 1 321.377 1.534 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000148859008 354171521 /nfs/dbraw/zinc/17/15/21/354171521.db2.gz HWBQAOUJJFYUJY-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141679207 354141414 /nfs/dbraw/zinc/14/14/14/354141414.db2.gz YBRPSIIKYXPGRQ-AWEZNQCLSA-N 1 1 319.361 1.670 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178544 283014243 /nfs/dbraw/zinc/01/42/43/283014243.db2.gz LLZLRWIMXJCWIV-TUAOUCFPSA-N 1 1 321.381 1.131 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601314551 358492123 /nfs/dbraw/zinc/49/21/23/358492123.db2.gz JHSHKBHMVSUGHS-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601314551 358492125 /nfs/dbraw/zinc/49/21/25/358492125.db2.gz JHSHKBHMVSUGHS-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO COc1ccc(OCCN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010311 355038869 /nfs/dbraw/zinc/03/88/69/355038869.db2.gz AUZNHXZRCRARHM-WFASDCNBSA-N 1 1 321.377 1.618 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590345173 355074938 /nfs/dbraw/zinc/07/49/38/355074938.db2.gz UUZAHLAHPMUAJM-NSHDSACASA-N 1 1 308.338 1.252 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590447661 355099833 /nfs/dbraw/zinc/09/98/33/355099833.db2.gz ZRENJKZSRAHWEG-MFKMUULPSA-N 1 1 305.334 1.380 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@]2(C)CO)c1 ZINC000593025315 355773615 /nfs/dbraw/zinc/77/36/15/355773615.db2.gz WRAKZXIPRSSUIV-OAHLLOKOSA-N 1 1 308.334 1.728 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593065152 355784864 /nfs/dbraw/zinc/78/48/64/355784864.db2.gz YAVSHMWGQFVLHK-NWANDNLSSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593065152 355784867 /nfs/dbraw/zinc/78/48/67/355784867.db2.gz YAVSHMWGQFVLHK-NWANDNLSSA-N 1 1 324.377 1.834 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000593175544 355817163 /nfs/dbraw/zinc/81/71/63/355817163.db2.gz SUBYDGWBPUUUJG-UHFFFAOYSA-N 1 1 309.370 1.511 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593187546 355820120 /nfs/dbraw/zinc/82/01/20/355820120.db2.gz LQYORTDHMSBWMH-YNEHKIRRSA-N 1 1 321.377 1.913 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2ccncc21 ZINC000593508652 355908271 /nfs/dbraw/zinc/90/82/71/355908271.db2.gz UMFGZMQMLYOMDR-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[N@H+](CCO)CC1 ZINC000593460942 355892519 /nfs/dbraw/zinc/89/25/19/355892519.db2.gz LJIOFROWEULRSK-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000276961387 213204325 /nfs/dbraw/zinc/20/43/25/213204325.db2.gz PZAIOZWXQXMZAQ-HNNXBMFYSA-N 1 1 315.329 1.787 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198113 356137485 /nfs/dbraw/zinc/13/74/85/356137485.db2.gz CXFPOGWXZNSHNF-ZIAGYGMSSA-N 1 1 321.381 1.315 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594200383 356138212 /nfs/dbraw/zinc/13/82/12/356138212.db2.gz LRQWSSHZPJDCFR-CHWSQXEVSA-N 1 1 306.366 1.680 20 5 DDBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406332 356481891 /nfs/dbraw/zinc/48/18/91/356481891.db2.gz BXHCMZIXAODAHS-WDEREUQCSA-N 1 1 308.338 1.382 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595761058 356642337 /nfs/dbraw/zinc/64/23/37/356642337.db2.gz WLSUIAYUPQMIJC-BFQNTYOBSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595761058 356642340 /nfs/dbraw/zinc/64/23/40/356642340.db2.gz WLSUIAYUPQMIJC-BFQNTYOBSA-N 1 1 319.361 1.890 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595850506 356677372 /nfs/dbraw/zinc/67/73/72/356677372.db2.gz GADBPNZPFVPODI-GSJFWJNXSA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595850506 356677374 /nfs/dbraw/zinc/67/73/74/356677374.db2.gz GADBPNZPFVPODI-GSJFWJNXSA-N 1 1 308.334 1.987 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595870481 356686195 /nfs/dbraw/zinc/68/61/95/356686195.db2.gz GOPXMXZZUOLHPO-WBMJQRKESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595870481 356686199 /nfs/dbraw/zinc/68/61/99/356686199.db2.gz GOPXMXZZUOLHPO-WBMJQRKESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597713681 357297891 /nfs/dbraw/zinc/29/78/91/357297891.db2.gz FOKQDVSBFNBCEX-INIZCTEOSA-N 1 1 318.377 1.856 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597856850 357359879 /nfs/dbraw/zinc/35/98/79/357359879.db2.gz BGSWDXBDZTZFEG-NSHDSACASA-N 1 1 306.366 1.901 20 5 DDBDMO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](C)C1 ZINC000597947459 357395648 /nfs/dbraw/zinc/39/56/48/357395648.db2.gz YTZKHVSLENYDBE-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C)C1 ZINC000597947459 357395654 /nfs/dbraw/zinc/39/56/54/357395654.db2.gz YTZKHVSLENYDBE-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](C)C1 ZINC000597947459 357395660 /nfs/dbraw/zinc/39/56/60/357395660.db2.gz YTZKHVSLENYDBE-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000598618641 357656968 /nfs/dbraw/zinc/65/69/68/357656968.db2.gz NNSWYXZKIOKITL-SECBINFHSA-N 1 1 317.305 1.400 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651090 357671131 /nfs/dbraw/zinc/67/11/31/357671131.db2.gz QQOSGWPRLOODMD-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651090 357671134 /nfs/dbraw/zinc/67/11/34/357671134.db2.gz QQOSGWPRLOODMD-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000599109605 357818365 /nfs/dbraw/zinc/81/83/65/357818365.db2.gz VGBUOGFVUHQCSG-UHFFFAOYSA-N 1 1 304.394 1.587 20 5 DDBDMO COC(=O)CCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325623 357895128 /nfs/dbraw/zinc/89/51/28/357895128.db2.gz HXQXQTYZYXMGSU-LBPRGKRZSA-N 1 1 322.365 1.819 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599564201 357974566 /nfs/dbraw/zinc/97/45/66/357974566.db2.gz QKSDMZUNEGBPCA-HNNXBMFYSA-N 1 1 324.333 1.238 20 5 DDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000600068436 358114010 /nfs/dbraw/zinc/11/40/10/358114010.db2.gz CEAZXJYWTYAMDO-UHFFFAOYSA-N 1 1 305.334 1.188 20 5 DDBDMO CC[N@H+](CCN)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600717451 358293301 /nfs/dbraw/zinc/29/33/01/358293301.db2.gz ALFJEIOPTYMHKC-UHFFFAOYSA-N 1 1 308.338 1.173 20 5 DDBDMO CC[N@@H+](CCN)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600717451 358293304 /nfs/dbraw/zinc/29/33/04/358293304.db2.gz ALFJEIOPTYMHKC-UHFFFAOYSA-N 1 1 308.338 1.173 20 5 DDBDMO C[N@@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000600826521 358327641 /nfs/dbraw/zinc/32/76/41/358327641.db2.gz OUYJJUCTAKGSDN-UHFFFAOYSA-N 1 1 317.349 1.572 20 5 DDBDMO CN1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCC1=O ZINC000601119745 358410059 /nfs/dbraw/zinc/41/00/59/358410059.db2.gz BCLANHRVPLTMHQ-JTQLQIEISA-N 1 1 300.318 1.598 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000601203803 358446530 /nfs/dbraw/zinc/44/65/30/358446530.db2.gz VNQLBDYOQDZOTL-GFCCVEGCSA-N 1 1 302.334 1.043 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@@]3(O)CCCOC3)c2c1 ZINC000601184621 358438696 /nfs/dbraw/zinc/43/86/96/358438696.db2.gz MUGPBEIFTCFCLW-INIZCTEOSA-N 1 1 317.345 1.908 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000601956630 358753020 /nfs/dbraw/zinc/75/30/20/358753020.db2.gz SEOCRJFQGQWAJY-AWEZNQCLSA-N 1 1 324.377 1.319 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCOCC1 ZINC000601956630 358753021 /nfs/dbraw/zinc/75/30/21/358753021.db2.gz SEOCRJFQGQWAJY-AWEZNQCLSA-N 1 1 324.377 1.319 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000181215066 199265932 /nfs/dbraw/zinc/26/59/32/199265932.db2.gz TYMIEASKASKGFI-YPMHNXCESA-N 1 1 318.377 1.733 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000602043314 358789107 /nfs/dbraw/zinc/78/91/07/358789107.db2.gz CUJZMUSWSFVUNI-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO Cn1cc(C[N@@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])n1 ZINC000602460989 358992129 /nfs/dbraw/zinc/99/21/29/358992129.db2.gz VNSRFQGWOFAYGG-UHFFFAOYSA-N 1 1 301.350 1.780 20 5 DDBDMO Cn1cc(C[N@H+]2CCN(C)c3ccccc3C2)c([N+](=O)[O-])n1 ZINC000602460989 358992131 /nfs/dbraw/zinc/99/21/31/358992131.db2.gz VNSRFQGWOFAYGG-UHFFFAOYSA-N 1 1 301.350 1.780 20 5 DDBDMO Cn1cc(C[N@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602468044 358998570 /nfs/dbraw/zinc/99/85/70/358998570.db2.gz IVJAQBCFDRMIDW-UHFFFAOYSA-N 1 1 304.350 1.365 20 5 DDBDMO Cn1cc(C[N@@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602468044 358998574 /nfs/dbraw/zinc/99/85/74/358998574.db2.gz IVJAQBCFDRMIDW-UHFFFAOYSA-N 1 1 304.350 1.365 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cnccn3)C2)nc1 ZINC000602794272 359196536 /nfs/dbraw/zinc/19/65/36/359196536.db2.gz NOTMQIUANWNQRI-CYBMUJFWSA-N 1 1 314.349 1.509 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000602795886 359198236 /nfs/dbraw/zinc/19/82/36/359198236.db2.gz BYAGAKDJUMSECD-STQMWFEESA-N 1 1 321.381 1.090 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000602802070 359201564 /nfs/dbraw/zinc/20/15/64/359201564.db2.gz SPTKQVVSPTUVFO-ZDUSSCGKSA-N 1 1 318.381 1.843 20 5 DDBDMO COc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000602962509 359325270 /nfs/dbraw/zinc/32/52/70/359325270.db2.gz LCGTWSNVCHDHTN-INIZCTEOSA-N 1 1 317.345 1.996 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964944 359329373 /nfs/dbraw/zinc/32/93/73/359329373.db2.gz WNRYUACUJOVMMJ-CJNGLKHVSA-N 1 1 324.377 1.965 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000603141668 359430207 /nfs/dbraw/zinc/43/02/07/359430207.db2.gz HDDVXJUNRCGEPM-GFCCVEGCSA-N 1 1 323.397 1.614 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000603141668 359430210 /nfs/dbraw/zinc/43/02/10/359430210.db2.gz HDDVXJUNRCGEPM-GFCCVEGCSA-N 1 1 323.397 1.614 20 5 DDBDMO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000186827044 200017744 /nfs/dbraw/zinc/01/77/44/200017744.db2.gz ZPDDVQYTDYNISJ-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186766371 200006141 /nfs/dbraw/zinc/00/61/41/200006141.db2.gz HFBXFUUYFWPKBJ-PELKAZGASA-N 1 1 303.322 1.199 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000603399528 359616342 /nfs/dbraw/zinc/61/63/42/359616342.db2.gz CBZASBFVJJTJQB-LLVKDONJSA-N 1 1 307.354 1.074 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000603854339 359688532 /nfs/dbraw/zinc/68/85/32/359688532.db2.gz GUIPMQLYMTZGHR-DZGCQCFKSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963132 200183926 /nfs/dbraw/zinc/18/39/26/200183926.db2.gz QOYFSAWGCNGBHS-IUODEOHRSA-N 1 1 309.366 1.239 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000618584775 363682985 /nfs/dbraw/zinc/68/29/85/363682985.db2.gz FJGQDJYSYYKMGQ-GFCCVEGCSA-N 1 1 317.349 1.382 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000609204398 360273953 /nfs/dbraw/zinc/27/39/53/360273953.db2.gz MUQXDZKGYRNRMX-DZGCQCFKSA-N 1 1 324.377 1.429 20 5 DDBDMO C[N@H+]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609470713 360311915 /nfs/dbraw/zinc/31/19/15/360311915.db2.gz LKVDJNZKNAJGGA-UHFFFAOYSA-N 1 1 322.365 1.321 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610489145 360449417 /nfs/dbraw/zinc/44/94/17/360449417.db2.gz HKTBIYKBDXYICG-CYBMUJFWSA-N 1 1 306.366 1.681 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610615591 360482532 /nfs/dbraw/zinc/48/25/32/360482532.db2.gz ULTIYBCPMKYFSF-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610615591 360482536 /nfs/dbraw/zinc/48/25/36/360482536.db2.gz ULTIYBCPMKYFSF-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611560747 360760391 /nfs/dbraw/zinc/76/03/91/360760391.db2.gz MLOODOMKHJNHOU-AWEZNQCLSA-N 1 1 316.361 1.780 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000193229189 201009891 /nfs/dbraw/zinc/00/98/91/201009891.db2.gz MNGCPBRDXJRLIF-UHFFFAOYSA-N 1 1 319.770 1.151 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252703 363945592 /nfs/dbraw/zinc/94/55/92/363945592.db2.gz NOMUVPMXMVGGIY-JSGCOSHPSA-N 1 1 307.325 1.853 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCCC[C@@H]1C ZINC000350014789 284132273 /nfs/dbraw/zinc/13/22/73/284132273.db2.gz QMUXUGYLPUOYTD-QWRGUYRKSA-N 1 1 321.381 1.565 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000264615143 204029071 /nfs/dbraw/zinc/02/90/71/204029071.db2.gz QPCNBJVRHXMAHW-VIFPVBQESA-N 1 1 307.354 1.094 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764130 284256915 /nfs/dbraw/zinc/25/69/15/284256915.db2.gz OCZHPQOVCHXRQF-CQSZACIVSA-N 1 1 307.398 1.455 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000288202898 220015615 /nfs/dbraw/zinc/01/56/15/220015615.db2.gz BZOZGFCADRTYBJ-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](C)C1 ZINC000288202898 220015620 /nfs/dbraw/zinc/01/56/20/220015620.db2.gz BZOZGFCADRTYBJ-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO O=C1N[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2CO1 ZINC000282615937 217127199 /nfs/dbraw/zinc/12/71/99/217127199.db2.gz ZIXJJBRKWHTUEO-PWSUYJOCSA-N 1 1 309.297 1.664 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2CO1 ZINC000282615937 217127200 /nfs/dbraw/zinc/12/72/00/217127200.db2.gz ZIXJJBRKWHTUEO-PWSUYJOCSA-N 1 1 309.297 1.664 20 5 DDBDMO CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000160006337 197379735 /nfs/dbraw/zinc/37/97/35/197379735.db2.gz XWVMXXSAOFAONE-GFCCVEGCSA-N 1 1 323.397 1.804 20 5 DDBDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000339137937 250309373 /nfs/dbraw/zinc/30/93/73/250309373.db2.gz XMHMPHJXGROSAX-GFCCVEGCSA-N 1 1 307.350 1.833 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000285020497 218258783 /nfs/dbraw/zinc/25/87/83/218258783.db2.gz ZCFHCPNTCCCPCM-BRWVUGGUSA-N 1 1 320.389 1.999 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000106393586 194206467 /nfs/dbraw/zinc/20/64/67/194206467.db2.gz QFSNFDDBEALDDJ-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000106395458 194206515 /nfs/dbraw/zinc/20/65/15/194206515.db2.gz ZGRTVWQGVNSQFK-OAHLLOKOSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@H]1CCCO1 ZINC000285208365 218333889 /nfs/dbraw/zinc/33/38/89/218333889.db2.gz DLAQSWYBBFQTLO-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@H]1CCCO1 ZINC000285208365 218333893 /nfs/dbraw/zinc/33/38/93/218333893.db2.gz DLAQSWYBBFQTLO-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000285322354 218380299 /nfs/dbraw/zinc/38/02/99/218380299.db2.gz IZCXENQETKNLFQ-OKILXGFUSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000285322354 218380301 /nfs/dbraw/zinc/38/03/01/218380301.db2.gz IZCXENQETKNLFQ-OKILXGFUSA-N 1 1 319.361 1.593 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000109627517 194278910 /nfs/dbraw/zinc/27/89/10/194278910.db2.gz YLDUAAHRKUODQO-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110609637 194342739 /nfs/dbraw/zinc/34/27/39/194342739.db2.gz KWJLLDGALFWUMG-LBPRGKRZSA-N 1 1 306.366 1.607 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000110997424 194379931 /nfs/dbraw/zinc/37/99/31/194379931.db2.gz DROLEYLIEPHDLP-GFCCVEGCSA-N 1 1 306.366 1.902 20 5 DDBDMO CC(C)[N@@H+](CCCC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000065953514 184383726 /nfs/dbraw/zinc/38/37/26/184383726.db2.gz CPZKQVPIIAUWKD-UHFFFAOYSA-N 1 1 322.365 1.780 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000352590971 285161572 /nfs/dbraw/zinc/16/15/72/285161572.db2.gz PPLSADPEGVGDJS-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000157338311 197179692 /nfs/dbraw/zinc/17/96/92/197179692.db2.gz ZJDBLCLUVPXXCF-UHFFFAOYSA-N 1 1 317.349 1.319 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1[C@@H]1CCCO1 ZINC000289683230 221151290 /nfs/dbraw/zinc/15/12/90/221151290.db2.gz HUCLQSZCLQRODY-ZFWWWQNUSA-N 1 1 321.377 1.646 20 5 DDBDMO Cc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000299508364 533658335 /nfs/dbraw/zinc/65/83/35/533658335.db2.gz FLCHLVQMKCULGP-UHFFFAOYSA-N 1 1 323.397 1.963 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000299508364 533658346 /nfs/dbraw/zinc/65/83/46/533658346.db2.gz FLCHLVQMKCULGP-UHFFFAOYSA-N 1 1 323.397 1.963 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000299508364 533658352 /nfs/dbraw/zinc/65/83/52/533658352.db2.gz FLCHLVQMKCULGP-UHFFFAOYSA-N 1 1 323.397 1.963 20 5 DDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593559544 397393250 /nfs/dbraw/zinc/39/32/50/397393250.db2.gz WLKHJBPHWFVKFA-UHFFFAOYSA-N 1 1 316.383 1.000 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000569743682 304376561 /nfs/dbraw/zinc/37/65/61/304376561.db2.gz CIWHOXFHFMOOLW-GFCCVEGCSA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046990346 407068658 /nfs/dbraw/zinc/06/86/58/407068658.db2.gz DNFCRLQFYYLAQC-CYBMUJFWSA-N 1 1 323.397 1.420 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)cc1[N+](=O)[O-] ZINC000067413310 407273374 /nfs/dbraw/zinc/27/33/74/407273374.db2.gz VQMCARDKTQOSFQ-AWEZNQCLSA-N 1 1 321.377 1.952 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000097617859 407300769 /nfs/dbraw/zinc/30/07/69/407300769.db2.gz VPVFMRZOKNOMGK-UHFFFAOYSA-N 1 1 321.333 1.159 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000125446117 407388768 /nfs/dbraw/zinc/38/87/68/407388768.db2.gz ZYIUCPSAHXMGFF-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000113225731 407476513 /nfs/dbraw/zinc/47/65/13/407476513.db2.gz ZJLFGGFCYWXNAQ-VXGBXAGGSA-N 1 1 321.381 1.222 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000114487433 407582046 /nfs/dbraw/zinc/58/20/46/407582046.db2.gz XZGHDKXLPARPNG-ZDUSSCGKSA-N 1 1 312.366 1.427 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000266926082 407677219 /nfs/dbraw/zinc/67/72/19/407677219.db2.gz KJMQTILYMGDDQX-MRXNPFEDSA-N 1 1 316.361 1.773 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCSC3(CCOCC3)C2)n1 ZINC000186847615 407785947 /nfs/dbraw/zinc/78/59/47/407785947.db2.gz QPUDJHNAASNBJU-UHFFFAOYSA-N 1 1 312.395 1.389 20 5 DDBDMO CCOc1cc(N2CC[NH+](CCOC)CC2)ccc1[N+](=O)[O-] ZINC000267267226 407811497 /nfs/dbraw/zinc/81/14/97/407811497.db2.gz YMAMLVXFEBAHIP-UHFFFAOYSA-N 1 1 309.366 1.762 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000153659226 407870318 /nfs/dbraw/zinc/87/03/18/407870318.db2.gz XOXYRYKYLLQBGX-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000153659226 407870321 /nfs/dbraw/zinc/87/03/21/407870321.db2.gz XOXYRYKYLLQBGX-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(N)=O ZINC000133965806 407878468 /nfs/dbraw/zinc/87/84/68/407878468.db2.gz MSTNSHNZWVGMCC-CQSZACIVSA-N 1 1 308.338 1.085 20 5 DDBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000134054358 407883392 /nfs/dbraw/zinc/88/33/92/407883392.db2.gz RTOORFLEXWVDHX-FZMZJTMJSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134054358 407883400 /nfs/dbraw/zinc/88/34/00/407883400.db2.gz RTOORFLEXWVDHX-FZMZJTMJSA-N 1 1 322.365 1.113 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C(C)(C)C1 ZINC000272397685 407901427 /nfs/dbraw/zinc/90/14/27/407901427.db2.gz DLWNCJZLRMFLHG-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C(C)(C)C1 ZINC000272397685 407901429 /nfs/dbraw/zinc/90/14/29/407901429.db2.gz DLWNCJZLRMFLHG-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153982323 407945558 /nfs/dbraw/zinc/94/55/58/407945558.db2.gz FXAGPSIPIHCXKA-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000118826117 407951177 /nfs/dbraw/zinc/95/11/77/407951177.db2.gz VMTNRSWCFRQCPO-UHFFFAOYSA-N 1 1 306.366 1.221 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268261563 407975716 /nfs/dbraw/zinc/97/57/16/407975716.db2.gz ZJLIJBMCKPXAKK-KCJUWKMLSA-N 1 1 307.354 1.093 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955599 407983534 /nfs/dbraw/zinc/98/35/34/407983534.db2.gz VXTYATDEVFZRAL-DTWKUNHWSA-N 1 1 303.322 1.341 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151147 407917912 /nfs/dbraw/zinc/91/79/12/407917912.db2.gz UQUPASLZXMTSEW-IAQYHMDHSA-N 1 1 318.377 1.877 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135541319 408026916 /nfs/dbraw/zinc/02/69/16/408026916.db2.gz XZWAFRJLCNNKKW-WCQYABFASA-N 1 1 319.365 1.097 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000189561349 408049468 /nfs/dbraw/zinc/04/94/68/408049468.db2.gz LKVRLXFUBPWPED-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955604 407983853 /nfs/dbraw/zinc/98/38/53/407983853.db2.gz VXTYATDEVFZRAL-RKDXNWHRSA-N 1 1 303.322 1.341 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000452065510 533677797 /nfs/dbraw/zinc/67/77/97/533677797.db2.gz COODFZNKXOBVAJ-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000452065510 533677804 /nfs/dbraw/zinc/67/78/04/533677804.db2.gz COODFZNKXOBVAJ-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO O=C1NCCCC[C@@H]1[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245857446 408080292 /nfs/dbraw/zinc/08/02/92/408080292.db2.gz KIGOKQIOSAHHMD-AAEUAGOBSA-N 1 1 319.365 1.145 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000150767499 408194521 /nfs/dbraw/zinc/19/45/21/408194521.db2.gz LCRLUWVUTSKYIN-DGCLKSJQSA-N 1 1 308.382 1.580 20 5 DDBDMO CCN1CC[NH+](CCCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121276658 408176737 /nfs/dbraw/zinc/17/67/37/408176737.db2.gz LQCOJMASOLJZSS-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273536393 408237441 /nfs/dbraw/zinc/23/74/41/408237441.db2.gz VQNAMSSLEGHYTJ-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269524189 408340255 /nfs/dbraw/zinc/34/02/55/408340255.db2.gz QXKWLIXDQHBRRO-CYBMUJFWSA-N 1 1 307.350 1.124 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000264159434 408384935 /nfs/dbraw/zinc/38/49/35/408384935.db2.gz XXJGZLZKWUDEGU-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173495164 162343033 /nfs/dbraw/zinc/34/30/33/162343033.db2.gz FTUSMSKCRPNSEQ-LBPRGKRZSA-N 1 1 310.350 1.687 20 5 DDBDMO COc1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264351555 408456654 /nfs/dbraw/zinc/45/66/54/408456654.db2.gz HDXYNLVJJDAZQP-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000264351555 408456658 /nfs/dbraw/zinc/45/66/58/408456658.db2.gz HDXYNLVJJDAZQP-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159533132 408414552 /nfs/dbraw/zinc/41/45/52/408414552.db2.gz BNBSKHRHMQIHPM-OCCSQVGLSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159533132 408414554 /nfs/dbraw/zinc/41/45/54/408414554.db2.gz BNBSKHRHMQIHPM-OCCSQVGLSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274495252 408428358 /nfs/dbraw/zinc/42/83/58/408428358.db2.gz CTNXHYVFYTWVNT-UHFFFAOYSA-N 1 1 323.393 1.303 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264429797 408486667 /nfs/dbraw/zinc/48/66/67/408486667.db2.gz ALRYNXZWEOXSGJ-PSKZRQQASA-N 1 1 319.361 1.445 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248456967 408572183 /nfs/dbraw/zinc/57/21/83/408572183.db2.gz LZPBWQMQNGGYDP-YNEHKIRRSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000248470921 408575638 /nfs/dbraw/zinc/57/56/38/408575638.db2.gz VLNAJDIMKOYKAO-CHWSQXEVSA-N 1 1 310.350 1.303 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000274802686 408538835 /nfs/dbraw/zinc/53/88/35/408538835.db2.gz KVKVASOYUOJXAR-ZDUSSCGKSA-N 1 1 322.365 1.745 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000248663925 408612143 /nfs/dbraw/zinc/61/21/43/408612143.db2.gz KHRLFCIDMYATHE-NEPJUHHUSA-N 1 1 323.397 1.661 20 5 DDBDMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680760 408634392 /nfs/dbraw/zinc/63/43/92/408634392.db2.gz URCSPOHINMCOLU-WCQYABFASA-N 1 1 305.338 1.240 20 5 DDBDMO CC[N@@H+](CCCO)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270684894 408636078 /nfs/dbraw/zinc/63/60/78/408636078.db2.gz APVLWAYOKNWEDO-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000248919310 408660648 /nfs/dbraw/zinc/66/06/48/408660648.db2.gz KMNGYYFUMPTGDA-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1cnc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275891328 408709897 /nfs/dbraw/zinc/70/98/97/408709897.db2.gz XZZINADPICLJJL-LBPRGKRZSA-N 1 1 308.382 1.580 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C1CCC1 ZINC000275887063 408710088 /nfs/dbraw/zinc/71/00/88/408710088.db2.gz RJZSXAXDPMANEA-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C1CCC1 ZINC000275887063 408710093 /nfs/dbraw/zinc/71/00/93/408710093.db2.gz RJZSXAXDPMANEA-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290851372 408843760 /nfs/dbraw/zinc/84/37/60/408843760.db2.gz XJVULEABSKKEDO-UHFFFAOYSA-N 1 1 304.310 1.096 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190862225 163162429 /nfs/dbraw/zinc/16/24/29/163162429.db2.gz MZTZSQYNALTNMR-NEPJUHHUSA-N 1 1 307.350 1.484 20 5 DDBDMO CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192461757 163223878 /nfs/dbraw/zinc/22/38/78/163223878.db2.gz PMTFUGVIAUAAAY-BETUJISGSA-N 1 1 319.361 1.627 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174119 408936498 /nfs/dbraw/zinc/93/64/98/408936498.db2.gz WXNUBHGNSABBKV-PBHICJAKSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174123 408936557 /nfs/dbraw/zinc/93/65/57/408936557.db2.gz WXNUBHGNSABBKV-RHSMWYFYSA-N 1 1 319.405 1.932 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277386086 408931333 /nfs/dbraw/zinc/93/13/33/408931333.db2.gz BOCNNUTYQIFZAA-NSHDSACASA-N 1 1 321.381 1.627 20 5 DDBDMO CC(C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000286235340 408945753 /nfs/dbraw/zinc/94/57/53/408945753.db2.gz UIPRUCHEKFYFIL-MRXNPFEDSA-N 1 1 321.425 1.861 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292183524 408997120 /nfs/dbraw/zinc/99/71/20/408997120.db2.gz QUCNCTHDISBAKQ-AWEZNQCLSA-N 1 1 321.377 1.505 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000287517758 409048213 /nfs/dbraw/zinc/04/82/13/409048213.db2.gz UVCMBEFOZPZEBC-GFCCVEGCSA-N 1 1 321.377 1.577 20 5 DDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261683 409077800 /nfs/dbraw/zinc/07/78/00/409077800.db2.gz IGZVKZREEOZTEX-UKRRQHHQSA-N 1 1 324.377 1.441 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000293327976 409089884 /nfs/dbraw/zinc/08/98/84/409089884.db2.gz IWNZLWPGLPHUML-VHSXEESVSA-N 1 1 307.354 1.094 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313536 409189478 /nfs/dbraw/zinc/18/94/78/409189478.db2.gz NKOZJWBPKPHLMS-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000279231747 409174625 /nfs/dbraw/zinc/17/46/25/409174625.db2.gz RLXPGRAMGNLHQB-OAHLLOKOSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC=CCC1 ZINC000280268368 409281293 /nfs/dbraw/zinc/28/12/93/409281293.db2.gz PDKNPYHIXIOLLY-RMKNXTFCSA-N 1 1 301.346 1.986 20 5 DDBDMO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280537999 409347929 /nfs/dbraw/zinc/34/79/29/409347929.db2.gz PLMLNRRPYFNXOW-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280537999 409347934 /nfs/dbraw/zinc/34/79/34/409347934.db2.gz PLMLNRRPYFNXOW-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000296095420 409430098 /nfs/dbraw/zinc/43/00/98/409430098.db2.gz HPYZSVHGXGFRKE-YRGRVCCFSA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285405650 409433042 /nfs/dbraw/zinc/43/30/42/409433042.db2.gz UJPNDHOZOHRXAE-CQSZACIVSA-N 1 1 318.333 1.535 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979919 164045992 /nfs/dbraw/zinc/04/59/92/164045992.db2.gz OZBQQPQKLNAFRU-RYUDHWBXSA-N 1 1 323.324 1.327 20 5 DDBDMO COc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591907 409670077 /nfs/dbraw/zinc/67/00/77/409670077.db2.gz XZBUEQYHXSLZJN-GHMZBOCLSA-N 1 1 319.361 1.958 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891009 409691467 /nfs/dbraw/zinc/69/14/67/409691467.db2.gz WCVYAGCNCZKOSW-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319633 409914288 /nfs/dbraw/zinc/91/42/88/409914288.db2.gz CMGLOKKIDHYPHZ-ZKYQVNSYSA-N 1 1 322.361 1.815 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357331640 409975919 /nfs/dbraw/zinc/97/59/19/409975919.db2.gz JRLNNNSXBFHJMX-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@]1(O)CC[N@@H+](C)C1 ZINC000342833359 409933942 /nfs/dbraw/zinc/93/39/42/409933942.db2.gz ZDLUVOPLMXRTGG-OAHLLOKOSA-N 1 1 323.349 1.168 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346657677 410061401 /nfs/dbraw/zinc/06/14/01/410061401.db2.gz LHCKZTKLSZRNRQ-BXUZGUMPSA-N 1 1 308.334 1.857 20 5 DDBDMO C[C@H]1CC[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000298036794 410088549 /nfs/dbraw/zinc/08/85/49/410088549.db2.gz GVJWYPUQRMXLDV-QWHCGFSZSA-N 1 1 306.366 1.679 20 5 DDBDMO CCCC[N@@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000357706890 410199519 /nfs/dbraw/zinc/19/95/19/410199519.db2.gz IVSDQGPWUGXGRE-UHFFFAOYSA-N 1 1 310.354 1.920 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000351940185 410354083 /nfs/dbraw/zinc/35/40/83/410354083.db2.gz ZUCYTKUUCNAYSQ-ZJUUUORDSA-N 1 1 307.354 1.127 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298744294 410377046 /nfs/dbraw/zinc/37/70/46/410377046.db2.gz YFYQHFIIBQSOPX-SNVBAGLBSA-N 1 1 307.354 1.375 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000298752434 410382524 /nfs/dbraw/zinc/38/25/24/410382524.db2.gz NMKKFEMVHRAVHZ-CQSZACIVSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000298752434 410382527 /nfs/dbraw/zinc/38/25/27/410382527.db2.gz NMKKFEMVHRAVHZ-CQSZACIVSA-N 1 1 307.350 1.404 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347304794 410457296 /nfs/dbraw/zinc/45/72/96/410457296.db2.gz LPQWHCXYRIHHQV-GJZGRUSLSA-N 1 1 324.377 1.700 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343460458 410471864 /nfs/dbraw/zinc/47/18/64/410471864.db2.gz RVBOVKYMYFVITK-QWHCGFSZSA-N 1 1 320.393 1.996 20 5 DDBDMO COc1ccc(CNC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000298910495 410447420 /nfs/dbraw/zinc/44/74/20/410447420.db2.gz CYJDUPGGROORFA-UHFFFAOYSA-N 1 1 308.338 1.060 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233282 410565812 /nfs/dbraw/zinc/56/58/12/410565812.db2.gz BOHGUXSLWWWKEN-SWLSCSKDSA-N 1 1 319.361 1.668 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301896939 410823538 /nfs/dbraw/zinc/82/35/38/410823538.db2.gz ZVNBBMWHBMQBRE-GFCCVEGCSA-N 1 1 318.381 1.806 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000356099557 410831849 /nfs/dbraw/zinc/83/18/49/410831849.db2.gz QSVFZZLZOCYGIV-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000301878318 410818022 /nfs/dbraw/zinc/81/80/22/410818022.db2.gz UCQUJUMGMYWQBC-JSGCOSHPSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000301878318 410818029 /nfs/dbraw/zinc/81/80/29/410818029.db2.gz UCQUJUMGMYWQBC-JSGCOSHPSA-N 1 1 306.366 1.963 20 5 DDBDMO COc1c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000356203260 410893647 /nfs/dbraw/zinc/89/36/47/410893647.db2.gz LLTGALCDHMZTNG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCC1 ZINC000353480878 411021184 /nfs/dbraw/zinc/02/11/84/411021184.db2.gz JNSLQXXNHCYXHM-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665974 226104569 /nfs/dbraw/zinc/10/45/69/226104569.db2.gz KJOKVXOJRGIMRP-GDBMZVCRSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322455 226114830 /nfs/dbraw/zinc/11/48/30/226114830.db2.gz HKDGQTWFYUWDMQ-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C1CO[C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366784191 418518126 /nfs/dbraw/zinc/51/81/26/418518126.db2.gz UKSZQTFYRKLPCA-YQRAZLAVSA-N 1 1 317.345 1.197 20 5 DDBDMO O=C1CO[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366784191 418518127 /nfs/dbraw/zinc/51/81/27/418518127.db2.gz UKSZQTFYRKLPCA-YQRAZLAVSA-N 1 1 317.345 1.197 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188369416 222011825 /nfs/dbraw/zinc/01/18/25/222011825.db2.gz WCLHPTNNBVKQTQ-NSHDSACASA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188369416 222011827 /nfs/dbraw/zinc/01/18/27/222011827.db2.gz WCLHPTNNBVKQTQ-NSHDSACASA-N 1 1 322.365 1.434 20 5 DDBDMO CCN1CCC([N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000375006455 418587607 /nfs/dbraw/zinc/58/76/07/418587607.db2.gz XCQOZBZULOLEFS-UHFFFAOYSA-N 1 1 307.398 1.740 20 5 DDBDMO CC[NH+]1CCC(N(CCn2ccc([N+](=O)[O-])n2)C2CC2)CC1 ZINC000375006455 418587609 /nfs/dbraw/zinc/58/76/09/418587609.db2.gz XCQOZBZULOLEFS-UHFFFAOYSA-N 1 1 307.398 1.740 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1CCCOCC1 ZINC000361376898 418639098 /nfs/dbraw/zinc/63/90/98/418639098.db2.gz NAJSZDCYNAOSBS-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)CC[N@@H+]1CCCOCC1 ZINC000361376898 418639101 /nfs/dbraw/zinc/63/91/01/418639101.db2.gz NAJSZDCYNAOSBS-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)CC[N@H+]1CCCOCC1 ZINC000361376898 418639103 /nfs/dbraw/zinc/63/91/03/418639103.db2.gz NAJSZDCYNAOSBS-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583379 418685488 /nfs/dbraw/zinc/68/54/88/418685488.db2.gz LMAOJIYEEQJBBP-QMTHXVAHSA-N 1 1 320.349 1.443 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583379 418685490 /nfs/dbraw/zinc/68/54/90/418685490.db2.gz LMAOJIYEEQJBBP-QMTHXVAHSA-N 1 1 320.349 1.443 20 5 DDBDMO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000388640052 418747084 /nfs/dbraw/zinc/74/70/84/418747084.db2.gz MTCGQDRNOWURPR-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000372376838 418862134 /nfs/dbraw/zinc/86/21/34/418862134.db2.gz PLQCIDSVQUPKNL-UHFFFAOYSA-N 1 1 316.361 1.901 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681243 418892996 /nfs/dbraw/zinc/89/29/96/418892996.db2.gz VYPRJWANGMBASF-TZMCWYRMSA-N 1 1 321.337 1.286 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681243 418892997 /nfs/dbraw/zinc/89/29/97/418892997.db2.gz VYPRJWANGMBASF-TZMCWYRMSA-N 1 1 321.337 1.286 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000411607711 419361003 /nfs/dbraw/zinc/36/10/03/419361003.db2.gz DFUYVQOBKFOFGS-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943349 419372229 /nfs/dbraw/zinc/37/22/29/419372229.db2.gz PSSHVQSGBFTFFP-CHWSQXEVSA-N 1 1 321.377 1.874 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421002855 419438387 /nfs/dbraw/zinc/43/83/87/419438387.db2.gz BTVXYPXAHKXSEJ-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421002855 419438395 /nfs/dbraw/zinc/43/83/95/419438395.db2.gz BTVXYPXAHKXSEJ-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412045619 419587244 /nfs/dbraw/zinc/58/72/44/419587244.db2.gz YKGHVHLIJPLEDC-MFKMUULPSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412045619 419587251 /nfs/dbraw/zinc/58/72/51/419587251.db2.gz YKGHVHLIJPLEDC-MFKMUULPSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079258 419630364 /nfs/dbraw/zinc/63/03/64/419630364.db2.gz LCOYBTLIODQPGN-QWHCGFSZSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079258 419630372 /nfs/dbraw/zinc/63/03/72/419630372.db2.gz LCOYBTLIODQPGN-QWHCGFSZSA-N 1 1 321.377 1.650 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412108269 419667975 /nfs/dbraw/zinc/66/79/75/419667975.db2.gz SAXOHZSAIZXSPY-OCCSQVGLSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412108269 419667984 /nfs/dbraw/zinc/66/79/84/419667984.db2.gz SAXOHZSAIZXSPY-OCCSQVGLSA-N 1 1 310.350 1.169 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002311 228870468 /nfs/dbraw/zinc/87/04/68/228870468.db2.gz JWXRWTRYIVHTFN-NWDGAFQWSA-N 1 1 322.340 1.673 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000431989413 229072343 /nfs/dbraw/zinc/07/23/43/229072343.db2.gz ANOVAQUYDJSSCO-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000430236368 420094339 /nfs/dbraw/zinc/09/43/39/420094339.db2.gz HDVAOFPZJAVJRA-NSHDSACASA-N 1 1 307.350 1.691 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430787129 420190380 /nfs/dbraw/zinc/19/03/80/420190380.db2.gz FFLGINURLBHFHV-GXTWGEPZSA-N 1 1 321.377 1.881 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420774891 420386754 /nfs/dbraw/zinc/38/67/54/420386754.db2.gz YXBDPTDKVDIOEC-SECBINFHSA-N 1 1 319.408 1.371 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420774891 420386756 /nfs/dbraw/zinc/38/67/56/420386756.db2.gz YXBDPTDKVDIOEC-SECBINFHSA-N 1 1 319.408 1.371 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417758731 420469808 /nfs/dbraw/zinc/46/98/08/420469808.db2.gz CSDCCKZLIKJIOR-OAHLLOKOSA-N 1 1 324.356 1.480 20 5 DDBDMO COc1cccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450788930 420531651 /nfs/dbraw/zinc/53/16/51/420531651.db2.gz FBOBWWPWJORPCU-TXEJJXNPSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC[NH3+])C1 ZINC000443063899 420742474 /nfs/dbraw/zinc/74/24/74/420742474.db2.gz XISDSYYZYVVQII-QWHCGFSZSA-N 1 1 320.393 1.983 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000493594424 420891246 /nfs/dbraw/zinc/89/12/46/420891246.db2.gz UCTFPLLMKMVFEG-AYKMPCHXSA-N 1 1 319.336 1.767 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000449134360 420956706 /nfs/dbraw/zinc/95/67/06/420956706.db2.gz IRBNDVKSUJVSBH-GJZGRUSLSA-N 1 1 320.437 1.751 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000455098672 420969426 /nfs/dbraw/zinc/96/94/26/420969426.db2.gz JZVRXYPPLROUCC-NSHDSACASA-N 1 1 319.365 1.342 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000455098672 420969428 /nfs/dbraw/zinc/96/94/28/420969428.db2.gz JZVRXYPPLROUCC-NSHDSACASA-N 1 1 319.365 1.342 20 5 DDBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000449397071 421007603 /nfs/dbraw/zinc/00/76/03/421007603.db2.gz NWIQMKKMOFQUFB-ZDUSSCGKSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(CN[C@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000449397071 421007607 /nfs/dbraw/zinc/00/76/07/421007607.db2.gz NWIQMKKMOFQUFB-ZDUSSCGKSA-N 1 1 311.357 1.670 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449569786 421028423 /nfs/dbraw/zinc/02/84/23/421028423.db2.gz DLBAHKQRQLJEMH-CQSZACIVSA-N 1 1 311.313 1.377 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456051270 421093402 /nfs/dbraw/zinc/09/34/02/421093402.db2.gz JFBXXOATOYPFDU-NSHDSACASA-N 1 1 321.381 1.636 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449786396 421084897 /nfs/dbraw/zinc/08/48/97/421084897.db2.gz NMYODXAENJIQKC-YVZNUBBCSA-N 1 1 305.378 1.606 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000456355129 421146725 /nfs/dbraw/zinc/14/67/25/421146725.db2.gz PXRBFQFSOIFLAZ-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000456387421 421158054 /nfs/dbraw/zinc/15/80/54/421158054.db2.gz SNBOMWFWQRXTGI-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000450608501 421217581 /nfs/dbraw/zinc/21/75/81/421217581.db2.gz DKUCBRSWAJQOOX-SNVBAGLBSA-N 1 1 314.773 1.902 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2CCO)c(Cl)c1 ZINC000450608501 421217582 /nfs/dbraw/zinc/21/75/82/421217582.db2.gz DKUCBRSWAJQOOX-SNVBAGLBSA-N 1 1 314.773 1.902 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777273 421629712 /nfs/dbraw/zinc/62/97/12/421629712.db2.gz DWYZWLZQBDZSHE-TZMCWYRMSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777273 421629716 /nfs/dbraw/zinc/62/97/16/421629716.db2.gz DWYZWLZQBDZSHE-TZMCWYRMSA-N 1 1 310.350 1.169 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000571075213 421687461 /nfs/dbraw/zinc/68/74/61/421687461.db2.gz QIBDMLFAETUWFL-QWHCGFSZSA-N 1 1 316.354 1.849 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000557071811 421758830 /nfs/dbraw/zinc/75/88/30/421758830.db2.gz QIGIMNNMWVROEC-JTQLQIEISA-N 1 1 307.354 1.264 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520766177 421761814 /nfs/dbraw/zinc/76/18/14/421761814.db2.gz MPRKGDCUYGEORL-VIFPVBQESA-N 1 1 319.317 1.290 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000522145311 421817650 /nfs/dbraw/zinc/81/76/50/421817650.db2.gz VLXFVGUEZLQMHT-ZDUSSCGKSA-N 1 1 318.377 1.195 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000542778311 421828688 /nfs/dbraw/zinc/82/86/88/421828688.db2.gz KUWDZIAQYYHDGQ-DZGCQCFKSA-N 1 1 318.377 1.830 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000580889238 421856669 /nfs/dbraw/zinc/85/66/69/421856669.db2.gz XSOLQUHBGXHIEP-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344756086 272111008 /nfs/dbraw/zinc/11/10/08/272111008.db2.gz GQEUKTVNCRAVJG-JTQLQIEISA-N 1 1 305.338 1.504 20 5 DDBDMO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000098066286 273541536 /nfs/dbraw/zinc/54/15/36/273541536.db2.gz OPLCOLNJLYMJAW-CQSZACIVSA-N 1 1 323.393 1.503 20 5 DDBDMO CCOc1cccc(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000183147489 276381221 /nfs/dbraw/zinc/38/12/21/276381221.db2.gz QZJWFUFVZPJEFE-UHFFFAOYSA-N 1 1 309.366 1.498 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264860711 277049370 /nfs/dbraw/zinc/04/93/70/277049370.db2.gz LSWIADFDZOLUHW-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO CN1CCNC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522042 277116783 /nfs/dbraw/zinc/11/67/83/277116783.db2.gz RENADVVNARJTTA-BBRMVZONSA-N 1 1 318.421 1.810 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408073941 288100226 /nfs/dbraw/zinc/10/02/26/288100226.db2.gz VDSKGHUOPYGWPJ-NWDGAFQWSA-N 1 1 321.377 1.986 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448058397 279385107 /nfs/dbraw/zinc/38/51/07/279385107.db2.gz NECSRGCREKQWFY-DGCLKSJQSA-N 1 1 305.382 1.781 20 5 DDBDMO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000150730747 280214983 /nfs/dbraw/zinc/21/49/83/280214983.db2.gz ZNRRSTOBAHHDFX-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(N)[nH+]c3)CC2)n1 ZINC000178198790 281012346 /nfs/dbraw/zinc/01/23/46/281012346.db2.gz NBSZPHJDCLZIAY-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330577756 281261102 /nfs/dbraw/zinc/26/11/02/281261102.db2.gz HBNUTEZEANYGQL-OLZOCXBDSA-N 1 1 320.393 1.866 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000285012770 290115505 /nfs/dbraw/zinc/11/55/05/290115505.db2.gz MKUFLZVNNGCLAT-NEPJUHHUSA-N 1 1 312.757 1.553 20 5 DDBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367289525 300823184 /nfs/dbraw/zinc/82/31/84/300823184.db2.gz AFMPCADNHBMQMX-SNVBAGLBSA-N 1 1 319.695 1.927 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966164 301111737 /nfs/dbraw/zinc/11/17/37/301111737.db2.gz NLCHNDLEPWJAMO-BBRMVZONSA-N 1 1 323.393 1.017 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000369010254 301118668 /nfs/dbraw/zinc/11/86/68/301118668.db2.gz POKUSOVGVVGJAM-ZDUSSCGKSA-N 1 1 321.381 1.441 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000369010254 301118670 /nfs/dbraw/zinc/11/86/70/301118670.db2.gz POKUSOVGVVGJAM-ZDUSSCGKSA-N 1 1 321.381 1.441 20 5 DDBDMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012206 301119715 /nfs/dbraw/zinc/11/97/15/301119715.db2.gz UMXJYJZBBXLXBR-JSGCOSHPSA-N 1 1 312.370 1.214 20 5 DDBDMO O=C1CCCCN1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002408 301256076 /nfs/dbraw/zinc/25/60/76/301256076.db2.gz OBBIOAJAFDWGJA-ZDUSSCGKSA-N 1 1 321.381 1.268 20 5 DDBDMO COC(=O)CN1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370030437 301261812 /nfs/dbraw/zinc/26/18/12/301261812.db2.gz YMQBZJKWNWKWGP-CYBMUJFWSA-N 1 1 321.377 1.837 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c2c(c1)COCO2 ZINC000370084984 301272970 /nfs/dbraw/zinc/27/29/70/301272970.db2.gz QNLUVWAHOREORB-MRXNPFEDSA-N 1 1 320.345 1.808 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883055 303263155 /nfs/dbraw/zinc/26/31/55/303263155.db2.gz WWQKNFXOOYARCJ-TXEJJXNPSA-N 1 1 306.366 1.983 20 5 DDBDMO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000532891444 303301274 /nfs/dbraw/zinc/30/12/74/303301274.db2.gz LWGBXCLELMEOIX-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO COc1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000363938669 307038200 /nfs/dbraw/zinc/03/82/00/307038200.db2.gz PIERUSWZGFHYBY-LBPRGKRZSA-N 1 1 302.334 1.974 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000371664639 307155726 /nfs/dbraw/zinc/15/57/26/307155726.db2.gz WJSVTCAFOVYNQP-QWHCGFSZSA-N 1 1 309.391 1.494 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372086654 307162954 /nfs/dbraw/zinc/16/29/54/307162954.db2.gz NQSCZDULLJSWJT-GFCCVEGCSA-N 1 1 321.381 1.267 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920463 307233176 /nfs/dbraw/zinc/23/31/76/307233176.db2.gz NRMMBEIURUTKPK-MBNYWOFBSA-N 1 1 310.354 1.060 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920463 307233177 /nfs/dbraw/zinc/23/31/77/307233177.db2.gz NRMMBEIURUTKPK-MBNYWOFBSA-N 1 1 310.354 1.060 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376642884 307251095 /nfs/dbraw/zinc/25/10/95/307251095.db2.gz MLLUEUZLLUSESB-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000566444062 308052606 /nfs/dbraw/zinc/05/26/06/308052606.db2.gz JALXRKTWTPFFNZ-JTQLQIEISA-N 1 1 321.333 1.662 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000566444062 308052607 /nfs/dbraw/zinc/05/26/07/308052607.db2.gz JALXRKTWTPFFNZ-JTQLQIEISA-N 1 1 321.333 1.662 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000581833175 325920638 /nfs/dbraw/zinc/92/06/38/325920638.db2.gz FLJCBMUXOPSOQF-LLVKDONJSA-N 1 1 307.350 1.560 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357540310 484510136 /nfs/dbraw/zinc/51/01/36/484510136.db2.gz XBOUCIATZSDQAZ-QWRGUYRKSA-N 1 1 321.381 1.398 20 5 DDBDMO Cc1c(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000418084727 533854352 /nfs/dbraw/zinc/85/43/52/533854352.db2.gz WAYWPJJVKGSNNL-HNNXBMFYSA-N 1 1 324.356 1.746 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154398166 527313760 /nfs/dbraw/zinc/31/37/60/527313760.db2.gz DWVCBCMWPDXPEA-IUODEOHRSA-N 1 1 318.377 1.855 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000330832855 527750723 /nfs/dbraw/zinc/75/07/23/527750723.db2.gz VKJCIBVOVSVOEE-GXFFZTMASA-N 1 1 321.381 1.374 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000490294144 527842639 /nfs/dbraw/zinc/84/26/39/527842639.db2.gz ZKUYPJUEFUNPMX-GFCCVEGCSA-N 1 1 308.338 1.108 20 5 DDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557078 528094401 /nfs/dbraw/zinc/09/44/01/528094401.db2.gz KZOZTBGXWAXMJB-BBRMVZONSA-N 1 1 308.378 1.893 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557078 528094405 /nfs/dbraw/zinc/09/44/05/528094405.db2.gz KZOZTBGXWAXMJB-BBRMVZONSA-N 1 1 308.378 1.893 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451741337 529290315 /nfs/dbraw/zinc/29/03/15/529290315.db2.gz OFSZVRMVGBKRGG-ZDUSSCGKSA-N 1 1 308.382 1.173 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000108461808 696633960 /nfs/dbraw/zinc/63/39/60/696633960.db2.gz RPAABVKNVLBBKM-LLVKDONJSA-N 1 1 306.366 1.557 20 5 DDBDMO Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC000983655178 697286829 /nfs/dbraw/zinc/28/68/29/697286829.db2.gz QUZAHHZTNFBGLN-DDHJBXDOSA-N 1 1 324.406 1.101 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000195128610 697731561 /nfs/dbraw/zinc/73/15/61/697731561.db2.gz CMTGECZGOXEBTD-ZDUSSCGKSA-N 1 1 318.333 1.803 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581316 698121052 /nfs/dbraw/zinc/12/10/52/698121052.db2.gz CIXQDFVVUYMATI-LSDHHAIUSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581316 698121055 /nfs/dbraw/zinc/12/10/55/698121055.db2.gz CIXQDFVVUYMATI-LSDHHAIUSA-N 1 1 319.361 1.371 20 5 DDBDMO COC(=O)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776583148 698121703 /nfs/dbraw/zinc/12/17/03/698121703.db2.gz XYCMXGUKXMHAOC-AWEZNQCLSA-N 1 1 310.350 1.902 20 5 DDBDMO COCCO[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594003 698124320 /nfs/dbraw/zinc/12/43/20/698124320.db2.gz QQMCHLJJVMRAAH-HZPDHXFCSA-N 1 1 324.377 1.756 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000800374539 700219013 /nfs/dbraw/zinc/21/90/13/700219013.db2.gz RTVUHMXMGJIIPE-HEHGZKQESA-N 1 1 323.393 1.015 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000782620084 698752305 /nfs/dbraw/zinc/75/23/05/698752305.db2.gz KLYFJVCRADUSST-ABAIWWIYSA-N 1 1 305.334 1.238 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000793769381 699778157 /nfs/dbraw/zinc/77/81/57/699778157.db2.gz UQYIOSDELHWCJZ-INIZCTEOSA-N 1 1 315.377 1.930 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637067 699921026 /nfs/dbraw/zinc/92/10/26/699921026.db2.gz KXAUUXFULZNAOE-MNOVXSKESA-N 1 1 306.366 1.698 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCn1cc[nH+]c1C(C)C ZINC000744389592 699947419 /nfs/dbraw/zinc/94/74/19/699947419.db2.gz CPOWIZBZPKLAHG-UHFFFAOYSA-N 1 1 320.353 1.236 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801914238 700353100 /nfs/dbraw/zinc/35/31/00/700353100.db2.gz UVKVENPCZWWDKD-VIFPVBQESA-N 1 1 310.329 1.388 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248750 700557902 /nfs/dbraw/zinc/55/79/02/700557902.db2.gz NUTDEGVQLGLRCS-ZFWWWQNUSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248750 700557904 /nfs/dbraw/zinc/55/79/04/700557904.db2.gz NUTDEGVQLGLRCS-ZFWWWQNUSA-N 1 1 307.350 1.358 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[NH+]([C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000770436955 701277829 /nfs/dbraw/zinc/27/78/29/701277829.db2.gz MTHADIMMKIXOEQ-GFCCVEGCSA-N 1 1 317.349 1.153 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(C)n1 ZINC000806166993 701428439 /nfs/dbraw/zinc/42/84/39/701428439.db2.gz FTPQVNRXFSHGIH-JTQLQIEISA-N 1 1 318.337 1.230 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000808205400 701507510 /nfs/dbraw/zinc/50/75/10/701507510.db2.gz DATVLOJZKCRZGX-ZDUSSCGKSA-N 1 1 321.381 1.310 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000808205400 701507511 /nfs/dbraw/zinc/50/75/11/701507511.db2.gz DATVLOJZKCRZGX-ZDUSSCGKSA-N 1 1 321.381 1.310 20 5 DDBDMO Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+](C)C ZINC000839761221 701814571 /nfs/dbraw/zinc/81/45/71/701814571.db2.gz LYPMYJQNMIXRSA-ZGKBOVNRSA-N 1 1 305.378 1.768 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000867984089 701873976 /nfs/dbraw/zinc/87/39/76/701873976.db2.gz MXSZJVMIYOBKFJ-DZKIICNBSA-N 1 1 319.361 1.549 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601376 701902710 /nfs/dbraw/zinc/90/27/10/701902710.db2.gz URSXFYXKURKTRK-SNVBAGLBSA-N 1 1 316.365 1.884 20 5 DDBDMO C[C@H]1C(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H]1C ZINC000840058950 701944433 /nfs/dbraw/zinc/94/44/33/701944433.db2.gz YINZDZRBVSSARF-VXGBXAGGSA-N 1 1 321.381 1.500 20 5 DDBDMO CCOC(C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)OCC ZINC000879271953 706636662 /nfs/dbraw/zinc/63/66/62/706636662.db2.gz JOUQEZPFFDLPIM-OAHLLOKOSA-N 1 1 312.366 1.791 20 5 DDBDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868366318 702089739 /nfs/dbraw/zinc/08/97/39/702089739.db2.gz PSDWMCDHNRBYRK-ZDUSSCGKSA-N 1 1 318.377 1.939 20 5 DDBDMO CO[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318738 706648181 /nfs/dbraw/zinc/64/81/81/706648181.db2.gz ZXQJKCVZBWBBBP-JGGQBBKZSA-N 1 1 324.377 1.834 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000817377190 702363669 /nfs/dbraw/zinc/36/36/69/702363669.db2.gz IXJUWDHISPJXKR-CQSZACIVSA-N 1 1 303.366 1.928 20 5 DDBDMO O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842334521 702705259 /nfs/dbraw/zinc/70/52/59/702705259.db2.gz YEYJABGMGGAVLZ-RBSFLKMASA-N 1 1 304.346 1.859 20 5 DDBDMO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842334521 702705261 /nfs/dbraw/zinc/70/52/61/702705261.db2.gz YEYJABGMGGAVLZ-RBSFLKMASA-N 1 1 304.346 1.859 20 5 DDBDMO O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842334521 702705262 /nfs/dbraw/zinc/70/52/62/702705262.db2.gz YEYJABGMGGAVLZ-RBSFLKMASA-N 1 1 304.346 1.859 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@@H+](C)C1 ZINC000843990991 702949792 /nfs/dbraw/zinc/94/97/92/702949792.db2.gz ZWOWRWHRKYCSDY-SNVBAGLBSA-N 1 1 324.356 1.872 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571286 706722073 /nfs/dbraw/zinc/72/20/73/706722073.db2.gz OSLBIFPAFTZLEK-ZIAGYGMSSA-N 1 1 305.378 2.000 20 5 DDBDMO CCON(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846064888 703233157 /nfs/dbraw/zinc/23/31/57/703233157.db2.gz NHGMDOXDTRQMDB-UHFFFAOYSA-N 1 1 301.730 1.748 20 5 DDBDMO CC1(C)OC[C@@H](CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908567 703881710 /nfs/dbraw/zinc/88/17/10/703881710.db2.gz OTZHDCJVSTYLRS-CYBMUJFWSA-N 1 1 307.350 1.890 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410507 704036628 /nfs/dbraw/zinc/03/66/28/704036628.db2.gz CDPYSWPJECBZCH-CABCVRRESA-N 1 1 310.350 1.102 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000819154241 704077653 /nfs/dbraw/zinc/07/76/53/704077653.db2.gz GCTPNVCFSNXMEI-SWLSCSKDSA-N 1 1 302.334 1.498 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871151220 704231310 /nfs/dbraw/zinc/23/13/10/704231310.db2.gz YWZZXGJTSJUNBK-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513386 704255635 /nfs/dbraw/zinc/25/56/35/704255635.db2.gz ZFMHMJVKGIFFOX-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853513386 704255636 /nfs/dbraw/zinc/25/56/36/704255636.db2.gz ZFMHMJVKGIFFOX-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO C[N@H+](C[C@H]1COCCO1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853559931 704270285 /nfs/dbraw/zinc/27/02/85/704270285.db2.gz QDGWPCKMCWBILX-ZDUSSCGKSA-N 1 1 306.322 1.249 20 5 DDBDMO C[N@@H+](C[C@H]1COCCO1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853559931 704270288 /nfs/dbraw/zinc/27/02/88/704270288.db2.gz QDGWPCKMCWBILX-ZDUSSCGKSA-N 1 1 306.322 1.249 20 5 DDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575710 704273984 /nfs/dbraw/zinc/27/39/84/704273984.db2.gz JHDLEIWPXHHOGR-MKBNYLNASA-N 1 1 317.345 1.831 20 5 DDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853575710 704273986 /nfs/dbraw/zinc/27/39/86/704273986.db2.gz JHDLEIWPXHHOGR-MKBNYLNASA-N 1 1 317.345 1.831 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587164 704276796 /nfs/dbraw/zinc/27/67/96/704276796.db2.gz FZHUKHOJHPWXHH-NWDGAFQWSA-N 1 1 317.349 1.574 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853587967 704277556 /nfs/dbraw/zinc/27/75/56/704277556.db2.gz OZXYYWZDBUJWDI-WDEREUQCSA-N 1 1 319.317 1.429 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853587967 704277557 /nfs/dbraw/zinc/27/75/57/704277557.db2.gz OZXYYWZDBUJWDI-WDEREUQCSA-N 1 1 319.317 1.429 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821328838 704391818 /nfs/dbraw/zinc/39/18/18/704391818.db2.gz QBNURPYKKQVFIP-BETUJISGSA-N 1 1 307.325 1.644 20 5 DDBDMO O=C1CC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000821348758 704394831 /nfs/dbraw/zinc/39/48/31/704394831.db2.gz QHLPSZHJAUYQKW-LBPRGKRZSA-N 1 1 305.334 1.422 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855408679 704483120 /nfs/dbraw/zinc/48/31/20/704483120.db2.gz XLUVLXSAPZJMHP-NEPJUHHUSA-N 1 1 301.387 1.047 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855408679 704483121 /nfs/dbraw/zinc/48/31/21/704483121.db2.gz XLUVLXSAPZJMHP-NEPJUHHUSA-N 1 1 301.387 1.047 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000856073448 704512298 /nfs/dbraw/zinc/51/22/98/704512298.db2.gz QACKRPOGOBSDBN-VIFPVBQESA-N 1 1 310.329 1.530 20 5 DDBDMO CC(C)(CCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822218444 704894935 /nfs/dbraw/zinc/89/49/35/704894935.db2.gz LIALSBBBJISPRA-CYBMUJFWSA-N 1 1 313.398 1.145 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000860132177 705110185 /nfs/dbraw/zinc/11/01/85/705110185.db2.gz WKTOVTAAUPWIMY-CUOATXAZSA-N 1 1 307.306 1.848 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823591362 705274922 /nfs/dbraw/zinc/27/49/22/705274922.db2.gz KCFFYQAMIVCNTG-OAHLLOKOSA-N 1 1 304.350 1.631 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970662 705347875 /nfs/dbraw/zinc/34/78/75/705347875.db2.gz GTSFGJNGYMAYJE-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000823973426 705348391 /nfs/dbraw/zinc/34/83/91/705348391.db2.gz HXDKATVXWYGRJV-NOZJJQNGSA-N 1 1 323.353 1.018 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000823973426 705348395 /nfs/dbraw/zinc/34/83/95/705348395.db2.gz HXDKATVXWYGRJV-NOZJJQNGSA-N 1 1 323.353 1.018 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970058 705752742 /nfs/dbraw/zinc/75/27/42/705752742.db2.gz USNJYLOMLVRRAR-IUODEOHRSA-N 1 1 321.377 1.428 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000862793703 705799684 /nfs/dbraw/zinc/79/96/84/705799684.db2.gz SKXUIDPQOBDMQZ-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722479 705857789 /nfs/dbraw/zinc/85/77/89/705857789.db2.gz QVTVHFREGAESHG-FZMZJTMJSA-N 1 1 307.350 1.086 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297890 705970509 /nfs/dbraw/zinc/97/05/09/705970509.db2.gz HNVKQNOYTMYAAQ-MNOVXSKESA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297890 705970510 /nfs/dbraw/zinc/97/05/10/705970510.db2.gz HNVKQNOYTMYAAQ-MNOVXSKESA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297890 705970512 /nfs/dbraw/zinc/97/05/12/705970512.db2.gz HNVKQNOYTMYAAQ-MNOVXSKESA-N 1 1 321.381 1.608 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312338 705973317 /nfs/dbraw/zinc/97/33/17/705973317.db2.gz UNMORWJSMQSIBG-DGCLKSJQSA-N 1 1 318.377 1.652 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827358355 705984791 /nfs/dbraw/zinc/98/47/91/705984791.db2.gz XRYPVLAMQDANTA-SMDDNHRTSA-N 1 1 304.350 1.464 20 5 DDBDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000877715428 706186995 /nfs/dbraw/zinc/18/69/95/706186995.db2.gz YTVXFFTZAHMPBG-HNNXBMFYSA-N 1 1 319.317 1.489 20 5 DDBDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000877715428 706186999 /nfs/dbraw/zinc/18/69/99/706186999.db2.gz YTVXFFTZAHMPBG-HNNXBMFYSA-N 1 1 319.317 1.489 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880309910 706937098 /nfs/dbraw/zinc/93/70/98/706937098.db2.gz LTJQMAWATPNLNR-OKILXGFUSA-N 1 1 319.361 1.384 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430913 706973048 /nfs/dbraw/zinc/97/30/48/706973048.db2.gz XJLQPXNPKBBGEA-UONOGXRCSA-N 1 1 323.349 1.269 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430913 706973050 /nfs/dbraw/zinc/97/30/50/706973050.db2.gz XJLQPXNPKBBGEA-UONOGXRCSA-N 1 1 323.349 1.269 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880436984 706975721 /nfs/dbraw/zinc/97/57/21/706975721.db2.gz DWCBGRPFGQCERA-HIFRSBDPSA-N 1 1 310.350 1.839 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000880528601 707005330 /nfs/dbraw/zinc/00/53/30/707005330.db2.gz FMNQXOKFKALGIU-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000880528601 707005331 /nfs/dbraw/zinc/00/53/31/707005331.db2.gz FMNQXOKFKALGIU-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000872285554 707365521 /nfs/dbraw/zinc/36/55/21/707365521.db2.gz WSHLRFVTCBFHDE-UHFFFAOYSA-N 1 1 319.361 1.466 20 5 DDBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000872285554 707365524 /nfs/dbraw/zinc/36/55/24/707365524.db2.gz WSHLRFVTCBFHDE-UHFFFAOYSA-N 1 1 319.361 1.466 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187648 707593585 /nfs/dbraw/zinc/59/35/85/707593585.db2.gz AWXNEKKIGZBJAS-CABCVRRESA-N 1 1 321.377 1.569 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000885855390 708640281 /nfs/dbraw/zinc/64/02/81/708640281.db2.gz PWCJXTYBNKSKCW-OAHLLOKOSA-N 1 1 319.361 1.578 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000886184217 708711578 /nfs/dbraw/zinc/71/15/78/708711578.db2.gz WPWQHORYQKWNJU-SWLSCSKDSA-N 1 1 321.333 1.001 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269081 709853539 /nfs/dbraw/zinc/85/35/39/709853539.db2.gz DSOGJLVYQBLFKU-WFASDCNBSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266691 710583125 /nfs/dbraw/zinc/58/31/25/710583125.db2.gz SQKMOQGANXGWNB-ZFWWWQNUSA-N 1 1 318.377 1.483 20 5 DDBDMO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928442801 713197779 /nfs/dbraw/zinc/19/77/79/713197779.db2.gz CFFOFIPZLTVHGL-JQWIXIFHSA-N 1 1 323.349 1.191 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000893827032 710845464 /nfs/dbraw/zinc/84/54/64/710845464.db2.gz GUTXKGRRCYAIAF-UHFFFAOYSA-N 1 1 301.350 1.649 20 5 DDBDMO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000894016736 710929179 /nfs/dbraw/zinc/92/91/79/710929179.db2.gz VJJCUPAFSPLQEB-UPJWGTAASA-N 1 1 318.377 1.859 20 5 DDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928569791 713233131 /nfs/dbraw/zinc/23/31/31/713233131.db2.gz RGLXLMCQQFYNDL-JQWIXIFHSA-N 1 1 309.391 1.896 20 5 DDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928569791 713233132 /nfs/dbraw/zinc/23/31/32/713233132.db2.gz RGLXLMCQQFYNDL-JQWIXIFHSA-N 1 1 309.391 1.896 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579334 711757787 /nfs/dbraw/zinc/75/77/87/711757787.db2.gz FQBXIXPPYJPYNC-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO CON1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636367 713883654 /nfs/dbraw/zinc/88/36/54/713883654.db2.gz GAKYIBRVBFDQKW-ZFWWWQNUSA-N 1 1 319.361 1.937 20 5 DDBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000930927227 713961882 /nfs/dbraw/zinc/96/18/82/713961882.db2.gz AWACQQHIEBWICK-UHFFFAOYSA-N 1 1 321.352 1.973 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931434445 714096941 /nfs/dbraw/zinc/09/69/41/714096941.db2.gz VDUGBQNBIFAHTD-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931434445 714096943 /nfs/dbraw/zinc/09/69/43/714096943.db2.gz VDUGBQNBIFAHTD-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO COC1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000931640968 714147075 /nfs/dbraw/zinc/14/70/75/714147075.db2.gz UBUBFYYPTRPYKJ-AWEZNQCLSA-N 1 1 310.350 1.459 20 5 DDBDMO CN(C[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000931692772 714162554 /nfs/dbraw/zinc/16/25/54/714162554.db2.gz YVQYWGJEVUSWDA-GFCCVEGCSA-N 1 1 301.387 1.985 20 5 DDBDMO CN(C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000931692772 714162555 /nfs/dbraw/zinc/16/25/55/714162555.db2.gz YVQYWGJEVUSWDA-GFCCVEGCSA-N 1 1 301.387 1.985 20 5 DDBDMO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932104363 714259516 /nfs/dbraw/zinc/25/95/16/714259516.db2.gz FIOUHMBSJVCHDD-KYOSRNDESA-N 1 1 322.361 1.759 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000933645207 714637934 /nfs/dbraw/zinc/63/79/34/714637934.db2.gz LAAYCFYVUPHWDU-YHWZYXNKSA-N 1 1 321.381 1.231 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933910132 714699842 /nfs/dbraw/zinc/69/98/42/714699842.db2.gz SFYMNDXFLNDUHJ-AWEZNQCLSA-N 1 1 308.334 1.811 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@H+]1C ZINC000925333469 714815173 /nfs/dbraw/zinc/81/51/73/714815173.db2.gz FCMYAZQJCBSDHA-RISCZKNCSA-N 1 1 318.377 1.755 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957547765 715950547 /nfs/dbraw/zinc/95/05/47/715950547.db2.gz PPKBDJNAOXTLDX-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777422 736850108 /nfs/dbraw/zinc/85/01/08/736850108.db2.gz MBXPEEHRAITPIT-QMIVOQANSA-N 1 1 319.405 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777422 736850112 /nfs/dbraw/zinc/85/01/12/736850112.db2.gz MBXPEEHRAITPIT-QMIVOQANSA-N 1 1 319.405 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777422 736850113 /nfs/dbraw/zinc/85/01/13/736850113.db2.gz MBXPEEHRAITPIT-QMIVOQANSA-N 1 1 319.405 1.278 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022061419 734366699 /nfs/dbraw/zinc/36/66/99/734366699.db2.gz HKLQBTXXVQEVDK-XJFOESAGSA-N 1 1 307.325 1.228 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001022063683 734368254 /nfs/dbraw/zinc/36/82/54/734368254.db2.gz GUUUSHOZWNXCFO-LXTVHRRPSA-N 1 1 318.377 1.100 20 5 DDBDMO O=C(NCC[NH2+]CCOC1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939468 742881443 /nfs/dbraw/zinc/88/14/43/742881443.db2.gz ZXJSLKQWISYAAP-ZIAGYGMSSA-N 1 1 313.398 1.097 20 5 DDBDMO O=C(NCC1C[NH+](CCCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660548 747335205 /nfs/dbraw/zinc/33/52/05/747335205.db2.gz KOTRZVPHVUDLIW-HZPDHXFCSA-N 1 1 317.389 1.332 20 5 DDBDMO COc1ccccc1C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168994066 762167557 /nfs/dbraw/zinc/16/75/57/762167557.db2.gz OLFLAOADKUUQCA-QWHCGFSZSA-N 1 1 306.362 1.956 20 5 DDBDMO O=C(c1ccco1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007154 762174538 /nfs/dbraw/zinc/17/45/38/762174538.db2.gz LOHCKSDVOTZOBN-OLZOCXBDSA-N 1 1 307.350 1.483 20 5 DDBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006726 762174685 /nfs/dbraw/zinc/17/46/85/762174685.db2.gz JFUJKXQMEJKKLJ-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045527 762186533 /nfs/dbraw/zinc/18/65/33/762186533.db2.gz JKJJQMCRXRNLCL-DOMZBBRYSA-N 1 1 320.393 1.996 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045527 762186537 /nfs/dbraw/zinc/18/65/37/762186537.db2.gz JKJJQMCRXRNLCL-DOMZBBRYSA-N 1 1 320.393 1.996 20 5 DDBDMO CCOC[C@H]1Cn2nccc2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169025783 762203332 /nfs/dbraw/zinc/20/33/32/762203332.db2.gz UWQQZUWGWUMIDE-RRFJBIMHSA-N 1 1 322.409 1.797 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785270 758363242 /nfs/dbraw/zinc/36/32/42/758363242.db2.gz ZZQIEMZNCHWRON-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO C[N@H+]1CC[C@H](NC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001156580484 763336101 /nfs/dbraw/zinc/33/61/01/763336101.db2.gz LHRKDJBKZPEGTC-ZETCQYMHSA-N 1 1 306.700 1.986 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109520290 763778572 /nfs/dbraw/zinc/77/85/72/763778572.db2.gz CTJZIONPWYVNAF-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO CCNC(=O)C[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329586 766255090 /nfs/dbraw/zinc/25/50/90/766255090.db2.gz RWODCHDXYWDLON-LLVKDONJSA-N 1 1 309.366 1.602 20 5 DDBDMO CCNC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329586 766255091 /nfs/dbraw/zinc/25/50/91/766255091.db2.gz RWODCHDXYWDLON-LLVKDONJSA-N 1 1 309.366 1.602 20 5 DDBDMO COCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048630706 769593849 /nfs/dbraw/zinc/59/38/49/769593849.db2.gz OSVYYKVXARNWRA-OKILXGFUSA-N 1 1 319.361 1.131 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093770805 775066784 /nfs/dbraw/zinc/06/67/84/775066784.db2.gz ISHPIRLNHYHBRX-UHFFFAOYSA-N 1 1 309.370 1.250 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100149201 775734668 /nfs/dbraw/zinc/73/46/68/775734668.db2.gz AMTHMEOYMYBGRR-UHFFFAOYSA-N 1 1 308.382 1.487 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094517315 775974222 /nfs/dbraw/zinc/97/42/22/775974222.db2.gz LTDDBXHWKZQHQN-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094667022 776147811 /nfs/dbraw/zinc/14/78/11/776147811.db2.gz CLRAQJKZTOYUGJ-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094667191 776149863 /nfs/dbraw/zinc/14/98/63/776149863.db2.gz INNXKVIXWZYDQW-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCOC[C@H](O)C1)CC2 ZINC001172903900 776917229 /nfs/dbraw/zinc/91/72/29/776917229.db2.gz JKBXUHKTIIBVFR-GOEBONIOSA-N 1 1 306.362 1.535 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCN(C)CC1 ZINC001173211128 777067078 /nfs/dbraw/zinc/06/70/78/777067078.db2.gz PQPBNUFXAINJFH-CQSZACIVSA-N 1 1 306.410 1.363 20 5 DDBDMO C[N@H+](CCNC(=O)c1cnns1)Cc1ccccc1[N+](=O)[O-] ZINC001267186953 837495695 /nfs/dbraw/zinc/49/56/95/837495695.db2.gz KXAXHTKTDALPCN-UHFFFAOYSA-N 1 1 321.362 1.308 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cnns1)Cc1ccccc1[N+](=O)[O-] ZINC001267186953 837495698 /nfs/dbraw/zinc/49/56/98/837495698.db2.gz KXAXHTKTDALPCN-UHFFFAOYSA-N 1 1 321.362 1.308 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001266260142 835999380 /nfs/dbraw/zinc/99/93/80/835999380.db2.gz LKJQDKWSLMWXTF-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO Cc1cc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001266260142 835999393 /nfs/dbraw/zinc/99/93/93/835999393.db2.gz LKJQDKWSLMWXTF-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001327169283 861941939 /nfs/dbraw/zinc/94/19/39/861941939.db2.gz YBZUJEAXHCVOTK-UHFFFAOYSA-N 1 1 319.321 1.938 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863865 862524772 /nfs/dbraw/zinc/52/47/72/862524772.db2.gz JVPRZNIRYYQNEO-CHWSQXEVSA-N 1 1 305.382 1.476 20 5 DDBDMO C[C@H]1CN(C)C(=O)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156191235 862795989 /nfs/dbraw/zinc/79/59/89/862795989.db2.gz VRJFPSSPWGSNMI-QRGHLMKCSA-N 1 1 319.365 1.189 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)n1 ZINC001157282395 863709608 /nfs/dbraw/zinc/70/96/08/863709608.db2.gz NBWPIYZLELCEHC-GWCFXTLKSA-N 1 1 320.349 1.307 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3csnn3)CC2)cn1 ZINC001331743138 865291381 /nfs/dbraw/zinc/29/13/81/865291381.db2.gz JRWKBERHVHZTLB-UHFFFAOYSA-N 1 1 320.378 1.600 20 5 DDBDMO CCOC(=O)C1=C(Nc2ncc(C)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453109 865309812 /nfs/dbraw/zinc/30/98/12/865309812.db2.gz OUNYIKORPXINJI-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO COC(=O)[C@@H]1C[C@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001161042339 866310388 /nfs/dbraw/zinc/31/03/88/866310388.db2.gz MHTHJFACDMPZMD-RUULKOMLSA-N 1 1 320.349 1.743 20 5 DDBDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320786415 867025414 /nfs/dbraw/zinc/02/54/14/867025414.db2.gz ONEBDZLCOODHQS-UONOGXRCSA-N 1 1 307.350 1.903 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2cc(C(C)=O)ccc2[N+](=O)[O-])C1 ZINC001225805904 882041071 /nfs/dbraw/zinc/04/10/71/882041071.db2.gz NPOGLOXAOUQREJ-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(C(C)=O)ccc2[N+](=O)[O-])C1 ZINC001225805904 882041092 /nfs/dbraw/zinc/04/10/92/882041092.db2.gz NPOGLOXAOUQREJ-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO Cc1cnc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001163117556 868115628 /nfs/dbraw/zinc/11/56/28/868115628.db2.gz JXSFACOFHUVIHF-LBPRGKRZSA-N 1 1 322.365 1.403 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC([C@H]([NH3+])C(=O)OC(C)(C)C)C1 ZINC001163118522 868117907 /nfs/dbraw/zinc/11/79/07/868117907.db2.gz ZECRVQXCRJWVBO-LBPRGKRZSA-N 1 1 322.365 1.403 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2C[C@@H](F)C[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC001164050488 868913501 /nfs/dbraw/zinc/91/35/01/868913501.db2.gz NQMPFZPBEYOJJB-JXSWWZISSA-N 1 1 324.356 1.679 20 5 DDBDMO COC(=O)/C=C\c1ccc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001164120552 868952180 /nfs/dbraw/zinc/95/21/80/868952180.db2.gz WVBPIMCMSALUMB-XQRVVYSFSA-N 1 1 323.349 1.117 20 5 DDBDMO O=[N+]([O-])c1c(N2CC([NH2+]C3COC3)C2)cccc1C(F)(F)F ZINC001164220370 869030992 /nfs/dbraw/zinc/03/09/92/869030992.db2.gz HMCSYCDWPGAKGG-UHFFFAOYSA-N 1 1 317.267 1.791 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ncc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165300481 869506100 /nfs/dbraw/zinc/50/61/00/869506100.db2.gz PFMDDDAYBUGUDM-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001340112417 870896595 /nfs/dbraw/zinc/89/65/95/870896595.db2.gz GCWBXVDUAGLVMZ-UHFFFAOYSA-N 1 1 322.413 1.529 20 5 DDBDMO COc1cc(C[NH2+]Cc2ccc[nH]c2=O)c([N+](=O)[O-])cc1O ZINC001308482083 871500716 /nfs/dbraw/zinc/50/07/16/871500716.db2.gz GEQZERSUEYLCPS-UHFFFAOYSA-N 1 1 305.290 1.699 20 5 DDBDMO Cc1ccc(CC[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001316823113 872116684 /nfs/dbraw/zinc/11/66/84/872116684.db2.gz CKSQSFJORDRVLQ-HZPDHXFCSA-N 1 1 319.405 1.641 20 5 DDBDMO Cc1ccc(CC[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001316823113 872116689 /nfs/dbraw/zinc/11/66/89/872116689.db2.gz CKSQSFJORDRVLQ-HZPDHXFCSA-N 1 1 319.405 1.641 20 5 DDBDMO Cc1ccc(CC[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001316823113 872116694 /nfs/dbraw/zinc/11/66/94/872116694.db2.gz CKSQSFJORDRVLQ-HZPDHXFCSA-N 1 1 319.405 1.641 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891820 874300965 /nfs/dbraw/zinc/30/09/65/874300965.db2.gz VNQDRCAGKMQEMJ-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891820 874300978 /nfs/dbraw/zinc/30/09/78/874300978.db2.gz VNQDRCAGKMQEMJ-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C2CCC1(CO)CC2 ZINC001351632187 876358067 /nfs/dbraw/zinc/35/80/67/876358067.db2.gz KPCHCXNJWGZCSH-MFOWVQHXSA-N 1 1 322.361 1.324 20 5 DDBDMO O=C(NCCCCC[NH+]1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC001358213831 880368863 /nfs/dbraw/zinc/36/88/63/880368863.db2.gz UTGRLIFVFFZZTR-UHFFFAOYSA-N 1 1 320.393 1.400 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223664361 881049356 /nfs/dbraw/zinc/04/93/56/881049356.db2.gz HWHMBDNBECDDOJ-GFCCVEGCSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228056975 883310387 /nfs/dbraw/zinc/31/03/87/883310387.db2.gz JZUFWFXDTJHNLT-JVUFJMBOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228056975 883310405 /nfs/dbraw/zinc/31/04/05/883310405.db2.gz JZUFWFXDTJHNLT-JVUFJMBOSA-N 1 1 311.725 1.826 20 5 DDBDMO Cc1ccc2c(c1)nc(=O)[nH]c2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230888649 885012496 /nfs/dbraw/zinc/01/24/96/885012496.db2.gz ORAHIXWFHSYTGO-LLVKDONJSA-O 1 1 320.369 1.006 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001254560872 896502602 /nfs/dbraw/zinc/50/26/02/896502602.db2.gz YRCBPKGSOPROFU-UKRRQHHQSA-N 1 1 319.405 1.931 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(C3COC3)CC1)C2 ZINC001254599209 896524490 /nfs/dbraw/zinc/52/44/90/896524490.db2.gz MFARSYOPCKFBKI-HNNXBMFYSA-N 1 1 303.362 1.078 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](CCC2CCCCC2)CC1 ZINC001261281665 899449332 /nfs/dbraw/zinc/44/93/32/899449332.db2.gz HCEVQGANLDVRKS-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278760991 214383194 /nfs/dbraw/zinc/38/31/94/214383194.db2.gz BNOGNRNNMGBMGG-OAHLLOKOSA-N 1 1 305.334 1.186 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452064915 231287729 /nfs/dbraw/zinc/28/77/29/231287729.db2.gz GVJCZNSNDVTOCR-FZMZJTMJSA-N 1 1 321.377 1.935 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286603610 219076993 /nfs/dbraw/zinc/07/69/93/219076993.db2.gz WSOYJRHYSVGXPD-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255526984 282263605 /nfs/dbraw/zinc/26/36/05/282263605.db2.gz LVEFHICVUXKXLC-HJWRWDBZSA-N 1 1 321.377 1.693 20 5 DDBDMO CC1(C)[C@H]([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000563821263 303976277 /nfs/dbraw/zinc/97/62/77/303976277.db2.gz QBJIKQSUAFPMTP-NEPJUHHUSA-N 1 1 318.333 1.894 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301962657 529931849 /nfs/dbraw/zinc/93/18/49/529931849.db2.gz ISAIONUFMVYBHA-GFCCVEGCSA-N 1 1 318.381 1.948 20 5 DDBDMO C[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851888 232112584 /nfs/dbraw/zinc/11/25/84/232112584.db2.gz QGAUUEZTJRLKKA-STQMWFEESA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851888 232112587 /nfs/dbraw/zinc/11/25/87/232112587.db2.gz QGAUUEZTJRLKKA-STQMWFEESA-N 1 1 324.377 1.834 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000277567936 213623319 /nfs/dbraw/zinc/62/33/19/213623319.db2.gz KWUKJXAVIGEOEJ-QWRGUYRKSA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279881940 215202719 /nfs/dbraw/zinc/20/27/19/215202719.db2.gz UKMUDVIRCKRWFG-CQSZACIVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC=CCC2)c(N)c([N+](=O)[O-])c1 ZINC000279924993 215241825 /nfs/dbraw/zinc/24/18/25/215241825.db2.gz GLWMUGKEUSCYMD-UHFFFAOYSA-N 1 1 304.350 1.477 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000601226556 358455558 /nfs/dbraw/zinc/45/55/58/358455558.db2.gz UOTKLDGBQDTIJX-UHFFFAOYSA-N 1 1 320.349 1.391 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287096630 219310299 /nfs/dbraw/zinc/31/02/99/219310299.db2.gz YZSKYRPDTZJVRU-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287096630 219310301 /nfs/dbraw/zinc/31/03/01/219310301.db2.gz YZSKYRPDTZJVRU-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CN(C)CC(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459548624 233303705 /nfs/dbraw/zinc/30/37/05/233303705.db2.gz MIBMGYWEDCNPRN-UHFFFAOYSA-N 1 1 308.382 1.487 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000617285156 363037347 /nfs/dbraw/zinc/03/73/47/363037347.db2.gz CTDNZDZQJPMGQV-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000617285156 363037352 /nfs/dbraw/zinc/03/73/52/363037352.db2.gz CTDNZDZQJPMGQV-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000331725256 234048963 /nfs/dbraw/zinc/04/89/63/234048963.db2.gz MPZRHBFUMSRBSC-WDEREUQCSA-N 1 1 307.354 1.168 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046861370 352465886 /nfs/dbraw/zinc/46/58/86/352465886.db2.gz YPGYNEMXOCGEEF-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000052101700 352599681 /nfs/dbraw/zinc/59/96/81/352599681.db2.gz KIHBIMCPHWAUKI-DZGCQCFKSA-N 1 1 310.350 1.445 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000052590861 352619614 /nfs/dbraw/zinc/61/96/14/352619614.db2.gz KHUMVAZXWPCPKL-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000055362620 352730379 /nfs/dbraw/zinc/73/03/79/352730379.db2.gz HYFYOIFIFATVMS-NEPJUHHUSA-N 1 1 309.370 1.170 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064570587 352940804 /nfs/dbraw/zinc/94/08/04/352940804.db2.gz YRVJASZLBIUCEJ-UHFFFAOYSA-N 1 1 324.333 1.846 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067417873 353048670 /nfs/dbraw/zinc/04/86/70/353048670.db2.gz SGCSLPFVPPIVAA-ZDUSSCGKSA-N 1 1 321.377 1.952 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067417873 353048674 /nfs/dbraw/zinc/04/86/74/353048674.db2.gz SGCSLPFVPPIVAA-ZDUSSCGKSA-N 1 1 321.377 1.952 20 5 DDBDMO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000069193072 353150203 /nfs/dbraw/zinc/15/02/03/353150203.db2.gz ZPVVDKMSGJLMFW-UHFFFAOYSA-N 1 1 314.349 1.723 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832659 353381175 /nfs/dbraw/zinc/38/11/75/353381175.db2.gz BCBFAKCRJOUUJT-AWEZNQCLSA-N 1 1 324.381 1.187 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355776143 291003595 /nfs/dbraw/zinc/00/35/95/291003595.db2.gz BBSUGMQCQXLIPY-LSDHHAIUSA-N 1 1 324.381 1.045 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000081626458 353685018 /nfs/dbraw/zinc/68/50/18/353685018.db2.gz VBTOGBUXQVWPTJ-WFASDCNBSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000081626458 353685019 /nfs/dbraw/zinc/68/50/19/353685019.db2.gz VBTOGBUXQVWPTJ-WFASDCNBSA-N 1 1 320.324 1.738 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000108304199 353949212 /nfs/dbraw/zinc/94/92/12/353949212.db2.gz LFXWHYDQUMZZSJ-CYBMUJFWSA-N 1 1 319.361 1.818 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000277039155 213257147 /nfs/dbraw/zinc/25/71/47/213257147.db2.gz HBIMQNHJZWFVRB-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000281125842 354425808 /nfs/dbraw/zinc/42/58/08/354425808.db2.gz OAKVACLIVUTCRL-INIZCTEOSA-N 1 1 321.377 1.822 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305356028 354470007 /nfs/dbraw/zinc/47/00/07/354470007.db2.gz XQCPFLCLCZDWQV-AWEZNQCLSA-N 1 1 304.350 1.593 20 5 DDBDMO CN(CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046409 355043932 /nfs/dbraw/zinc/04/39/32/355043932.db2.gz CKRSECMEWLYSPC-IUODEOHRSA-N 1 1 318.377 1.194 20 5 DDBDMO Cc1cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000590557541 355113149 /nfs/dbraw/zinc/11/31/49/355113149.db2.gz DFVGIVDPUKIDJD-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590442696 355096317 /nfs/dbraw/zinc/09/63/17/355096317.db2.gz ACHHCXYGGZBWPW-YPMHNXCESA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446544 355099089 /nfs/dbraw/zinc/09/90/89/355099089.db2.gz UJAAVCQKXDYSIK-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000590872558 355202512 /nfs/dbraw/zinc/20/25/12/355202512.db2.gz HUNPVHDUHMJCDV-SKDRFNHKSA-N 1 1 319.317 1.100 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000248683297 283094534 /nfs/dbraw/zinc/09/45/34/283094534.db2.gz XTDHZEGWSRCGDX-QWHCGFSZSA-N 1 1 318.377 1.614 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592198751 355534387 /nfs/dbraw/zinc/53/43/87/355534387.db2.gz RUQZTPIGHVQUAO-GJZGRUSLSA-N 1 1 308.382 1.807 20 5 DDBDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532026 355617184 /nfs/dbraw/zinc/61/71/84/355617184.db2.gz LYUNHNXBZMUJMA-QWHCGFSZSA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532026 355617188 /nfs/dbraw/zinc/61/71/88/355617188.db2.gz LYUNHNXBZMUJMA-QWHCGFSZSA-N 1 1 308.334 1.259 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593064587 355784394 /nfs/dbraw/zinc/78/43/94/355784394.db2.gz REPBQTHQZQZQRY-NWDGAFQWSA-N 1 1 300.742 1.830 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593064587 355784400 /nfs/dbraw/zinc/78/44/00/355784400.db2.gz REPBQTHQZQZQRY-NWDGAFQWSA-N 1 1 300.742 1.830 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)CCO ZINC000593107072 355799812 /nfs/dbraw/zinc/79/98/12/355799812.db2.gz GILDHKCGXAPKOF-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593161974 355815516 /nfs/dbraw/zinc/81/55/16/355815516.db2.gz FUUCGSMJOISTBE-INIZCTEOSA-N 1 1 321.352 1.831 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000593186969 355819986 /nfs/dbraw/zinc/81/99/86/355819986.db2.gz BMIJCOFGDXPBLU-XQQFMLRXSA-N 1 1 321.377 1.913 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969919 356076041 /nfs/dbraw/zinc/07/60/41/356076041.db2.gz GNYIHCASRJFJJM-CHWSQXEVSA-N 1 1 311.382 1.185 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594417366 356202943 /nfs/dbraw/zinc/20/29/43/356202943.db2.gz BZDBOQOBFZCBPD-WDEREUQCSA-N 1 1 307.354 1.075 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418444 356203879 /nfs/dbraw/zinc/20/38/79/356203879.db2.gz JBAFFCZSRDJNJH-GHMZBOCLSA-N 1 1 307.354 1.373 20 5 DDBDMO Cc1noc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000595324887 356450496 /nfs/dbraw/zinc/45/04/96/356450496.db2.gz SBQUEZWAHSWZAJ-UHFFFAOYSA-N 1 1 303.318 1.511 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757611 356639596 /nfs/dbraw/zinc/63/95/96/356639596.db2.gz NWKSDDRXPRIXRJ-SWLSCSKDSA-N 1 1 306.318 1.338 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595757611 356639598 /nfs/dbraw/zinc/63/95/98/356639598.db2.gz NWKSDDRXPRIXRJ-SWLSCSKDSA-N 1 1 306.318 1.338 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)n1 ZINC000595822387 356664167 /nfs/dbraw/zinc/66/41/67/356664167.db2.gz SKNDCCQXSGCNRI-UHFFFAOYSA-N 1 1 306.366 1.682 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595880768 356689088 /nfs/dbraw/zinc/68/90/88/356689088.db2.gz ZBVMGICFWAKHGC-HWWQOWPSSA-N 1 1 321.377 1.872 20 5 DDBDMO CCn1nccc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000596063160 356757627 /nfs/dbraw/zinc/75/76/27/356757627.db2.gz YXZAWJMXJSGYMT-UHFFFAOYSA-N 1 1 318.333 1.872 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000596229454 356824821 /nfs/dbraw/zinc/82/48/21/356824821.db2.gz BZWXAXIDTACLLW-JTQLQIEISA-N 1 1 301.306 1.317 20 5 DDBDMO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000596241230 356829673 /nfs/dbraw/zinc/82/96/73/356829673.db2.gz PQDBRYFSUFYABK-NSHDSACASA-N 1 1 305.382 1.883 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596364610 356864515 /nfs/dbraw/zinc/86/45/15/356864515.db2.gz PPQMUSGNWYLHDV-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596364610 356864518 /nfs/dbraw/zinc/86/45/18/356864518.db2.gz PPQMUSGNWYLHDV-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000596817663 356985134 /nfs/dbraw/zinc/98/51/34/356985134.db2.gz PUYAZPDOGKZDOP-LLVKDONJSA-N 1 1 307.354 1.360 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000597860242 357362160 /nfs/dbraw/zinc/36/21/60/357362160.db2.gz MLQOYVBJABVMFX-SNVBAGLBSA-N 1 1 309.370 1.414 20 5 DDBDMO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CC[N@@H+](C)C1 ZINC000597943877 357392127 /nfs/dbraw/zinc/39/21/27/357392127.db2.gz ADFGMJKDGUNYRA-NSHDSACASA-N 1 1 321.333 1.490 20 5 DDBDMO CCN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CC[N@@H+](C)C1 ZINC000597943876 357393113 /nfs/dbraw/zinc/39/31/13/357393113.db2.gz ADFGMJKDGUNYRA-LLVKDONJSA-N 1 1 321.333 1.490 20 5 DDBDMO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598041415 357439265 /nfs/dbraw/zinc/43/92/65/357439265.db2.gz UIMPTOBMYCURHW-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO COC(=O)c1ccnc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000598626726 357661330 /nfs/dbraw/zinc/66/13/30/357661330.db2.gz HHNRPKVIMDXJDY-SNVBAGLBSA-N 1 1 310.354 1.917 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937116 358085211 /nfs/dbraw/zinc/08/52/11/358085211.db2.gz DTRFOQPGDIQBCH-TZMCWYRMSA-N 1 1 323.324 1.015 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000600076978 358117152 /nfs/dbraw/zinc/11/71/52/358117152.db2.gz SLGALQRTGPDMHA-UHFFFAOYSA-N 1 1 309.341 1.641 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600472386 358233639 /nfs/dbraw/zinc/23/36/39/358233639.db2.gz XCNQZXWURXOHOL-GFCCVEGCSA-N 1 1 320.349 1.442 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000601009628 358380905 /nfs/dbraw/zinc/38/09/05/358380905.db2.gz BIMZDNSWFNDNHD-LSDHHAIUSA-N 1 1 305.378 1.984 20 5 DDBDMO CCCNC(=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601105609 358404694 /nfs/dbraw/zinc/40/46/94/358404694.db2.gz DVLQJRCLPPTRPL-UHFFFAOYSA-N 1 1 302.334 1.893 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000358914486 299279451 /nfs/dbraw/zinc/27/94/51/299279451.db2.gz JIPASOZBPDUOSD-NSHDSACASA-N 1 1 311.386 1.013 20 5 DDBDMO CC[N@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601116120 358409562 /nfs/dbraw/zinc/40/95/62/358409562.db2.gz ONPHZBSZEDOECA-UHFFFAOYSA-N 1 1 321.303 1.879 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(CO)(CO)C3)c2c1 ZINC000601198247 358443957 /nfs/dbraw/zinc/44/39/57/358443957.db2.gz SPCQBJFVBVOVJQ-UHFFFAOYSA-N 1 1 303.318 1.324 20 5 DDBDMO C[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)c1nncn1C ZINC000601153972 358424089 /nfs/dbraw/zinc/42/40/89/358424089.db2.gz VXBWCRRQYTWACP-SNVBAGLBSA-N 1 1 312.333 1.909 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)[C@H]3CCCOC3)c2c1 ZINC000601176873 358434610 /nfs/dbraw/zinc/43/46/10/358434610.db2.gz SGVZNHMPAOSTDK-ZBEGNZNMSA-N 1 1 317.345 1.764 20 5 DDBDMO COC[C@@H]1C[C@@H](O)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601184713 358438263 /nfs/dbraw/zinc/43/82/63/358438263.db2.gz MJUXHRBBHPCKPJ-NWDGAFQWSA-N 1 1 303.318 1.729 20 5 DDBDMO CC[N@@H+](CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601782222 358693101 /nfs/dbraw/zinc/69/31/01/358693101.db2.gz XLHWYSVBWFSDBF-MRXNPFEDSA-N 1 1 321.377 1.403 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)n2)c1 ZINC000601973315 358760529 /nfs/dbraw/zinc/76/05/29/358760529.db2.gz JXUHEMMTFYRJSX-TXEJJXNPSA-N 1 1 316.317 1.723 20 5 DDBDMO CN1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602526308 359026442 /nfs/dbraw/zinc/02/64/42/359026442.db2.gz IZFSIQPNJBIRKF-SNVBAGLBSA-N 1 1 317.267 1.934 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602488695 359012445 /nfs/dbraw/zinc/01/24/45/359012445.db2.gz ZYHGBAGXYKZHMB-UHFFFAOYSA-N 1 1 313.304 1.727 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602724370 359149899 /nfs/dbraw/zinc/14/98/99/359149899.db2.gz KGKVDOUGHSENHS-IYBDPMFKSA-N 1 1 317.345 1.388 20 5 DDBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602731567 359154072 /nfs/dbraw/zinc/15/40/72/359154072.db2.gz NHPPDELJUKVNEZ-GASCZTMLSA-N 1 1 303.318 1.079 20 5 DDBDMO CC1(C)CO[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000602837532 359227821 /nfs/dbraw/zinc/22/78/21/359227821.db2.gz OOFRBGNXXDEEFE-ZDUSSCGKSA-N 1 1 320.393 1.927 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000602843194 359231300 /nfs/dbraw/zinc/23/13/00/359231300.db2.gz WERNWIYYNUDZDW-MCIONIFRSA-N 1 1 308.382 1.725 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817621 359213446 /nfs/dbraw/zinc/21/34/46/359213446.db2.gz USJQETZMWDBZPX-DYEKYZERSA-N 1 1 322.365 1.373 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817621 359213451 /nfs/dbraw/zinc/21/34/51/359213451.db2.gz USJQETZMWDBZPX-DYEKYZERSA-N 1 1 322.365 1.373 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000603144063 359433242 /nfs/dbraw/zinc/43/32/42/359433242.db2.gz SAYDYERMWWOVGB-BETUJISGSA-N 1 1 321.377 1.915 20 5 DDBDMO Cc1nccc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610447556 360438495 /nfs/dbraw/zinc/43/84/95/360438495.db2.gz XIOWDHRTZQULRN-CYBMUJFWSA-N 1 1 316.365 1.769 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611255649 360681026 /nfs/dbraw/zinc/68/10/26/360681026.db2.gz XIYXXHDOTCYQHG-SNVBAGLBSA-N 1 1 322.317 1.361 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611255649 360681032 /nfs/dbraw/zinc/68/10/32/360681032.db2.gz XIYXXHDOTCYQHG-SNVBAGLBSA-N 1 1 322.317 1.361 20 5 DDBDMO Nc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000611525905 360748152 /nfs/dbraw/zinc/74/81/52/360748152.db2.gz ZTFKIHIEGGUAKA-UHFFFAOYSA-N 1 1 317.349 1.776 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704747 360799221 /nfs/dbraw/zinc/79/92/21/360799221.db2.gz DLFNOUJRQIYARG-NSHDSACASA-N 1 1 317.349 1.671 20 5 DDBDMO COCC[N@@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611615837 360775773 /nfs/dbraw/zinc/77/57/73/360775773.db2.gz CDYWEJSEGAYBTN-CYBMUJFWSA-N 1 1 308.382 1.764 20 5 DDBDMO COCC[N@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000611615837 360775777 /nfs/dbraw/zinc/77/57/77/360775777.db2.gz CDYWEJSEGAYBTN-CYBMUJFWSA-N 1 1 308.382 1.764 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000611616295 360777508 /nfs/dbraw/zinc/77/75/08/360777508.db2.gz UVILJOULOFNASV-STQMWFEESA-N 1 1 308.382 1.498 20 5 DDBDMO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000613953749 361639992 /nfs/dbraw/zinc/63/99/92/361639992.db2.gz IHUCOUKOIRAJLP-SNVBAGLBSA-N 1 1 307.350 1.761 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516992 364046844 /nfs/dbraw/zinc/04/68/44/364046844.db2.gz SRJUTHBBAUVZFU-GXFFZTMASA-N 1 1 321.333 1.708 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516992 364046849 /nfs/dbraw/zinc/04/68/49/364046849.db2.gz SRJUTHBBAUVZFU-GXFFZTMASA-N 1 1 321.333 1.708 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359287957 299396999 /nfs/dbraw/zinc/39/69/99/299396999.db2.gz JVXKRUHWHBXTHV-ZDUSSCGKSA-N 1 1 321.377 1.364 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000349958597 284119181 /nfs/dbraw/zinc/11/91/81/284119181.db2.gz BGHNILMKQBTHHX-UHFFFAOYSA-N 1 1 323.393 1.030 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCOCC1 ZINC000264903825 204254918 /nfs/dbraw/zinc/25/49/18/204254918.db2.gz ZWUSQCYXRVYNAW-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCOCC1 ZINC000264903825 204254921 /nfs/dbraw/zinc/25/49/21/204254921.db2.gz ZWUSQCYXRVYNAW-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000266185634 205166990 /nfs/dbraw/zinc/16/69/90/205166990.db2.gz CWNDUMWKTNONQB-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000266185634 205166992 /nfs/dbraw/zinc/16/69/92/205166992.db2.gz CWNDUMWKTNONQB-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1C[C@@H](C)O ZINC000266392083 205313613 /nfs/dbraw/zinc/31/36/13/205313613.db2.gz OEAXAAZFFRTDEK-CHWSQXEVSA-N 1 1 323.393 1.885 20 5 DDBDMO CC(C)[N@H+](Cc1ccco1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507271 205396115 /nfs/dbraw/zinc/39/61/15/205396115.db2.gz CEPXAMRFKBBVKY-ZDUSSCGKSA-N 1 1 308.338 1.656 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154300255 248301144 /nfs/dbraw/zinc/30/11/44/248301144.db2.gz SKLVUZJADFZOTR-UHFFFAOYSA-N 1 1 319.358 1.272 20 5 DDBDMO Cn1c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000336944002 249294521 /nfs/dbraw/zinc/29/45/21/249294521.db2.gz LYTHAQRJNGWFSB-LLVKDONJSA-N 1 1 306.322 1.559 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104831901 194045313 /nfs/dbraw/zinc/04/53/13/194045313.db2.gz LIDJXVVKQQSYNO-LLVKDONJSA-N 1 1 306.366 1.700 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285090708 218286743 /nfs/dbraw/zinc/28/67/43/218286743.db2.gz DMCBIJLQIVNOMV-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000285285535 218365367 /nfs/dbraw/zinc/36/53/67/218365367.db2.gz QVOMBGUTAJIFDL-STQMWFEESA-N 1 1 321.377 1.694 20 5 DDBDMO CC[NH+](CC)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000109837339 194292058 /nfs/dbraw/zinc/29/20/58/194292058.db2.gz ZTDXLWJMLRGCLF-UHFFFAOYSA-N 1 1 319.358 1.354 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110994217 194378218 /nfs/dbraw/zinc/37/82/18/194378218.db2.gz QWOLEIHLDBJRKO-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157698273 197209029 /nfs/dbraw/zinc/20/90/29/197209029.db2.gz HXBJSHOREQNDHV-ZDUSSCGKSA-N 1 1 321.381 1.030 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@@H]1O ZINC000352657975 285202043 /nfs/dbraw/zinc/20/20/43/285202043.db2.gz CPNFMVGJLPMTBJ-OLZOCXBDSA-N 1 1 318.333 1.990 20 5 DDBDMO O=[N+]([O-])c1ccc(CNCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000294778854 224215572 /nfs/dbraw/zinc/21/55/72/224215572.db2.gz GQDPBPZAXHAZJG-UHFFFAOYSA-N 1 1 313.785 1.795 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000352783386 285298347 /nfs/dbraw/zinc/29/83/47/285298347.db2.gz XYLTUYKSUSAAAS-QWRGUYRKSA-N 1 1 309.341 1.827 20 5 DDBDMO COc1cccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000569191592 304340007 /nfs/dbraw/zinc/34/00/07/304340007.db2.gz JADXVSBRPYLQNY-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000073995312 406899465 /nfs/dbraw/zinc/89/94/65/406899465.db2.gz WLZMRVLRXMVKON-WDEREUQCSA-N 1 1 322.340 1.625 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000090460472 407168367 /nfs/dbraw/zinc/16/83/67/407168367.db2.gz IOUNPRDBBAKCEV-HUUCEWRRSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000090460472 407168369 /nfs/dbraw/zinc/16/83/69/407168369.db2.gz IOUNPRDBBAKCEV-HUUCEWRRSA-N 1 1 319.361 1.578 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118876 407267340 /nfs/dbraw/zinc/26/73/40/407267340.db2.gz CMEAPEWZXJZZIR-VIFPVBQESA-N 1 1 321.424 1.665 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123941475 407343637 /nfs/dbraw/zinc/34/36/37/407343637.db2.gz LFMJRECRFNCDEQ-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000123941475 407343638 /nfs/dbraw/zinc/34/36/38/407343638.db2.gz LFMJRECRFNCDEQ-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000265801723 407462827 /nfs/dbraw/zinc/46/28/27/407462827.db2.gz XFMPXBZJJYAAKU-UHFFFAOYSA-N 1 1 321.362 1.352 20 5 DDBDMO CC(C)[N@@H+](CCCS(N)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000170913951 407555593 /nfs/dbraw/zinc/55/55/93/407555593.db2.gz ZBFZLCWKGHBUPI-UHFFFAOYSA-N 1 1 315.395 1.484 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cncnc3)C2)nc1 ZINC000128897108 407581705 /nfs/dbraw/zinc/58/17/05/407581705.db2.gz UPAFWZFKSHMWGZ-GFCCVEGCSA-N 1 1 300.322 1.466 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cncnc3)C2)nc1 ZINC000128897108 407581707 /nfs/dbraw/zinc/58/17/07/407581707.db2.gz UPAFWZFKSHMWGZ-GFCCVEGCSA-N 1 1 300.322 1.466 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129458243 407611727 /nfs/dbraw/zinc/61/17/27/407611727.db2.gz QGZRAUNSPQGQBF-ZDUSSCGKSA-N 1 1 323.368 1.888 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000152404830 407628510 /nfs/dbraw/zinc/62/85/10/407628510.db2.gz BDECBPOLLZTWIK-BQYQJAHWSA-N 1 1 321.377 1.693 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178873024 407637472 /nfs/dbraw/zinc/63/74/72/407637472.db2.gz ADSHRAPYWOAJGN-OCCSQVGLSA-N 1 1 308.334 1.656 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179148136 407736777 /nfs/dbraw/zinc/73/67/77/407736777.db2.gz UODBSBRXOLKICN-GFCCVEGCSA-N 1 1 321.333 1.221 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000171665887 407736771 /nfs/dbraw/zinc/73/67/71/407736771.db2.gz IWGMZDQSEQZIGT-LLVKDONJSA-N 1 1 323.397 1.731 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000267252124 407808349 /nfs/dbraw/zinc/80/83/49/407808349.db2.gz GVWAWDJGTHYPKK-UHFFFAOYSA-N 1 1 303.322 1.502 20 5 DDBDMO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153493312 407834184 /nfs/dbraw/zinc/83/41/84/407834184.db2.gz BEQJOTKGWPLPSF-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337971 407840545 /nfs/dbraw/zinc/84/05/45/407840545.db2.gz KQNNCLBQOFLXCO-NHYWBVRUSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337971 407840547 /nfs/dbraw/zinc/84/05/47/407840547.db2.gz KQNNCLBQOFLXCO-NHYWBVRUSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CCO ZINC000187738998 407888737 /nfs/dbraw/zinc/88/87/37/407888737.db2.gz VJOLOCDLVIATQQ-LLVKDONJSA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1CCO ZINC000187738998 407888741 /nfs/dbraw/zinc/88/87/41/407888741.db2.gz VJOLOCDLVIATQQ-LLVKDONJSA-N 1 1 320.349 1.234 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)O ZINC000245725490 408053570 /nfs/dbraw/zinc/05/35/70/408053570.db2.gz BNGSIJQWKLOQOQ-VHSXEESVSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC000245725490 408053577 /nfs/dbraw/zinc/05/35/77/408053577.db2.gz BNGSIJQWKLOQOQ-VHSXEESVSA-N 1 1 311.338 1.243 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000273084926 408049695 /nfs/dbraw/zinc/04/96/95/408049695.db2.gz YOOSLURCAYKTKK-NFAWXSAZSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000273084926 408049698 /nfs/dbraw/zinc/04/96/98/408049698.db2.gz YOOSLURCAYKTKK-NFAWXSAZSA-N 1 1 322.361 1.588 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272577422 407991885 /nfs/dbraw/zinc/99/18/85/407991885.db2.gz GJQORMICQLVFOZ-DOMZBBRYSA-N 1 1 319.361 1.526 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189663938 408073800 /nfs/dbraw/zinc/07/38/00/408073800.db2.gz YFCCRSQYJXZUGB-HNNXBMFYSA-N 1 1 307.350 1.431 20 5 DDBDMO Cc1nc(N2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268524913 408084086 /nfs/dbraw/zinc/08/40/86/408084086.db2.gz VTSZLEIQVCHOCT-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000189755413 408099819 /nfs/dbraw/zinc/09/98/19/408099819.db2.gz YFCMFIUNTFKPIZ-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269330188 408270274 /nfs/dbraw/zinc/27/02/74/408270274.db2.gz DYUBOUYKGAWOFI-JTQLQIEISA-N 1 1 309.370 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269330188 408270283 /nfs/dbraw/zinc/27/02/83/408270283.db2.gz DYUBOUYKGAWOFI-JTQLQIEISA-N 1 1 309.370 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269330188 408270288 /nfs/dbraw/zinc/27/02/88/408270288.db2.gz DYUBOUYKGAWOFI-JTQLQIEISA-N 1 1 309.370 1.465 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269333255 408272803 /nfs/dbraw/zinc/27/28/03/408272803.db2.gz AUCGKSRMPUCEEX-MNOVXSKESA-N 1 1 323.397 1.900 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000269338962 408274078 /nfs/dbraw/zinc/27/40/78/408274078.db2.gz BOFAGCIDDGIGHX-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000269338962 408274083 /nfs/dbraw/zinc/27/40/83/408274083.db2.gz BOFAGCIDDGIGHX-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO Cc1ccnc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000166264847 162164937 /nfs/dbraw/zinc/16/49/37/162164937.db2.gz ACWXFDITPMODBE-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccnc1 ZINC000191118702 408373971 /nfs/dbraw/zinc/37/39/71/408373971.db2.gz DYEXQIHBYNCYKC-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccnc1 ZINC000191118702 408373973 /nfs/dbraw/zinc/37/39/73/408373973.db2.gz DYEXQIHBYNCYKC-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183646986 408460547 /nfs/dbraw/zinc/46/05/47/408460547.db2.gz JZYVFDJWOQDEMM-NSHDSACASA-N 1 1 307.354 1.795 20 5 DDBDMO C[N@@H+](CCOc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159724436 408429314 /nfs/dbraw/zinc/42/93/14/408429314.db2.gz CGUGBZVAMQVDMN-UHFFFAOYSA-N 1 1 317.345 1.767 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248541851 408585663 /nfs/dbraw/zinc/58/56/63/408585663.db2.gz IIRBZIFUPCGPBY-WOPDTQHZSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248541851 408585667 /nfs/dbraw/zinc/58/56/67/408585667.db2.gz IIRBZIFUPCGPBY-WOPDTQHZSA-N 1 1 307.350 1.625 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000264677132 408543937 /nfs/dbraw/zinc/54/39/37/408543937.db2.gz NWEIAFMODPHHJM-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248662440 408611008 /nfs/dbraw/zinc/61/10/08/408611008.db2.gz GWUPJDYTQFRAKD-MNOVXSKESA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248662440 408611015 /nfs/dbraw/zinc/61/10/15/408611015.db2.gz GWUPJDYTQFRAKD-MNOVXSKESA-N 1 1 311.386 1.011 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@H+]1C1CC1 ZINC000184486910 408628123 /nfs/dbraw/zinc/62/81/23/408628123.db2.gz NHFFPKODVWPKTA-VHSXEESVSA-N 1 1 304.350 1.532 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249542582 408738815 /nfs/dbraw/zinc/73/88/15/408738815.db2.gz FJBBQDJVHUNRMA-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265539319 408687484 /nfs/dbraw/zinc/68/74/84/408687484.db2.gz ONOHXILRDFYWHE-VIFPVBQESA-N 1 1 300.746 1.776 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265539319 408687492 /nfs/dbraw/zinc/68/74/92/408687492.db2.gz ONOHXILRDFYWHE-VIFPVBQESA-N 1 1 300.746 1.776 20 5 DDBDMO CCOC(=O)c1ccnc(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000184785291 408687827 /nfs/dbraw/zinc/68/78/27/408687827.db2.gz GCMOTBUQRYOJNQ-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162380329 408697495 /nfs/dbraw/zinc/69/74/95/408697495.db2.gz SZSKJWKDQGRHES-CYBMUJFWSA-N 1 1 305.378 1.904 20 5 DDBDMO Nc1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000178174447 408783405 /nfs/dbraw/zinc/78/34/05/408783405.db2.gz KTRYHNZXIQNUHN-SNVBAGLBSA-N 1 1 304.350 1.391 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000285845340 408875199 /nfs/dbraw/zinc/87/51/99/408875199.db2.gz HUEHMKNQMVPUBP-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO Cc1c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285953360 408895572 /nfs/dbraw/zinc/89/55/72/408895572.db2.gz WHZJGQCERZADPG-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO C[C@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CCO1 ZINC000190319550 163136304 /nfs/dbraw/zinc/13/63/04/163136304.db2.gz KEWPAASJZNEZGU-JTQLQIEISA-N 1 1 312.395 1.741 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CCO1 ZINC000190319550 163136310 /nfs/dbraw/zinc/13/63/10/163136310.db2.gz KEWPAASJZNEZGU-JTQLQIEISA-N 1 1 312.395 1.741 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281842915 408941048 /nfs/dbraw/zinc/94/10/48/408941048.db2.gz YPJZGIBJCQSNMP-GXFFZTMASA-N 1 1 307.350 1.693 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000277693893 408993224 /nfs/dbraw/zinc/99/32/24/408993224.db2.gz ZWTCOLWLEMLUKP-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278865666 409103842 /nfs/dbraw/zinc/10/38/42/409103842.db2.gz LRSGUBJFWFIMEE-HNNXBMFYSA-N 1 1 305.334 1.315 20 5 DDBDMO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000294184058 409256595 /nfs/dbraw/zinc/25/65/95/409256595.db2.gz PEORJGFOQZZQMN-INIZCTEOSA-N 1 1 319.361 1.858 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000294184058 409256598 /nfs/dbraw/zinc/25/65/98/409256598.db2.gz PEORJGFOQZZQMN-INIZCTEOSA-N 1 1 319.361 1.858 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337178 409294332 /nfs/dbraw/zinc/29/43/32/409294332.db2.gz HNWBZZUDHJAJQV-RCBQFDQVSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337178 409294336 /nfs/dbraw/zinc/29/43/36/409294336.db2.gz HNWBZZUDHJAJQV-RCBQFDQVSA-N 1 1 322.361 1.508 20 5 DDBDMO C[N@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295256181 409398664 /nfs/dbraw/zinc/39/86/64/409398664.db2.gz ZUCGFNDPNTZDAW-AWEZNQCLSA-N 1 1 317.345 1.862 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280511371 409335320 /nfs/dbraw/zinc/33/53/20/409335320.db2.gz NEIAFKZFHSELPI-UHFFFAOYSA-N 1 1 319.361 1.660 20 5 DDBDMO Cc1cccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285350952 409411514 /nfs/dbraw/zinc/41/15/14/409411514.db2.gz ULYQQCFHADZPFB-ZIAGYGMSSA-N 1 1 319.361 1.448 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000285405649 409432694 /nfs/dbraw/zinc/43/26/94/409432694.db2.gz UJPNDHOZOHRXAE-AWEZNQCLSA-N 1 1 318.333 1.535 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000280751891 409440238 /nfs/dbraw/zinc/44/02/38/409440238.db2.gz NJSKHLWOVPVUHQ-AWEZNQCLSA-N 1 1 304.306 1.433 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000295333564 409440598 /nfs/dbraw/zinc/44/05/98/409440598.db2.gz XTJFFXHUEZTAHQ-AWEZNQCLSA-N 1 1 311.313 1.377 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000317235058 164026793 /nfs/dbraw/zinc/02/67/93/164026793.db2.gz LOVKYIJEMQTMMS-NEPJUHHUSA-N 1 1 304.350 1.534 20 5 DDBDMO COc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768843 164028698 /nfs/dbraw/zinc/02/86/98/164028698.db2.gz QKAMYUGUZPNYOR-STQMWFEESA-N 1 1 307.350 1.879 20 5 DDBDMO CS[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296285332 409490098 /nfs/dbraw/zinc/49/00/98/409490098.db2.gz MYQWMPKSCVSILQ-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO CS[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296285332 409490105 /nfs/dbraw/zinc/49/01/05/409490105.db2.gz MYQWMPKSCVSILQ-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295454286 409490306 /nfs/dbraw/zinc/49/03/06/409490306.db2.gz WULLYATUGVUAMH-NSHDSACASA-N 1 1 321.381 1.042 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356728517 409554485 /nfs/dbraw/zinc/55/44/85/409554485.db2.gz FEOUQDHGNLNESO-ZYHUDNBSSA-N 1 1 307.350 1.816 20 5 DDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356802288 409620718 /nfs/dbraw/zinc/62/07/18/409620718.db2.gz JRLSSQVAZOVEDU-GFCCVEGCSA-N 1 1 305.334 1.609 20 5 DDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000356802288 409620724 /nfs/dbraw/zinc/62/07/24/409620724.db2.gz JRLSSQVAZOVEDU-GFCCVEGCSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342437224 409630052 /nfs/dbraw/zinc/63/00/52/409630052.db2.gz OBCHWSIXNNKURJ-QPUJVOFHSA-N 1 1 302.327 1.257 20 5 DDBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000354079589 409636097 /nfs/dbraw/zinc/63/60/97/409636097.db2.gz IXEXWCJLXITCFO-JTQLQIEISA-N 1 1 307.379 1.977 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717246 409639761 /nfs/dbraw/zinc/63/97/61/409639761.db2.gz NLQOMXZSKVCMJJ-DOMZBBRYSA-N 1 1 319.361 1.404 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717246 409639769 /nfs/dbraw/zinc/63/97/69/409639769.db2.gz NLQOMXZSKVCMJJ-DOMZBBRYSA-N 1 1 319.361 1.404 20 5 DDBDMO COc1ccc(C[N@H+](C)CCNC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000348930596 409593509 /nfs/dbraw/zinc/59/35/09/409593509.db2.gz YWMRNNYBEOIDJD-UHFFFAOYSA-N 1 1 310.354 1.306 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCNC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000348930596 409593519 /nfs/dbraw/zinc/59/35/19/409593519.db2.gz YWMRNNYBEOIDJD-UHFFFAOYSA-N 1 1 310.354 1.306 20 5 DDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000296879109 409682329 /nfs/dbraw/zinc/68/23/29/409682329.db2.gz JCGWUGKOHMWXIK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000296879109 409682339 /nfs/dbraw/zinc/68/23/39/409682339.db2.gz JCGWUGKOHMWXIK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO COc1cc(C[N@H+](C)[C@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000342630493 409774256 /nfs/dbraw/zinc/77/42/56/409774256.db2.gz FKWJIRCJPGGSPN-SBKAZYGRSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000342630493 409774265 /nfs/dbraw/zinc/77/42/65/409774265.db2.gz FKWJIRCJPGGSPN-SBKAZYGRSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356913443 409716958 /nfs/dbraw/zinc/71/69/58/409716958.db2.gz YFCBZMPDAHMGLU-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356913443 409716966 /nfs/dbraw/zinc/71/69/66/409716966.db2.gz YFCBZMPDAHMGLU-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(C[N@H+](C)[C@H]2CCSC2)n1 ZINC000350893561 410009820 /nfs/dbraw/zinc/00/98/20/410009820.db2.gz WZKCTRRKCPKYDU-QMMMGPOBSA-N 1 1 324.366 1.316 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000350893561 410009825 /nfs/dbraw/zinc/00/98/25/410009825.db2.gz WZKCTRRKCPKYDU-QMMMGPOBSA-N 1 1 324.366 1.316 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229643 409998967 /nfs/dbraw/zinc/99/89/67/409998967.db2.gz PNOCBPXJUQZSFQ-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229643 409998971 /nfs/dbraw/zinc/99/89/71/409998971.db2.gz PNOCBPXJUQZSFQ-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000298236617 410145076 /nfs/dbraw/zinc/14/50/76/410145076.db2.gz IJHGZKDSSORGMO-MRXNPFEDSA-N 1 1 318.377 1.901 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339399027 410161515 /nfs/dbraw/zinc/16/15/15/410161515.db2.gz YNBATDFBURBILB-HZPDHXFCSA-N 1 1 305.378 1.890 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000351773560 410224322 /nfs/dbraw/zinc/22/43/22/410224322.db2.gz HFFCSLWHRYPXEV-BXKDBHETSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000351773560 410224330 /nfs/dbraw/zinc/22/43/30/410224330.db2.gz HFFCSLWHRYPXEV-BXKDBHETSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347231568 410404668 /nfs/dbraw/zinc/40/46/68/410404668.db2.gz ROYRXYWWWGKZLH-PHIMTYICSA-N 1 1 309.370 1.321 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347304792 410458450 /nfs/dbraw/zinc/45/84/50/410458450.db2.gz LPQWHCXYRIHHQV-GASCZTMLSA-N 1 1 324.377 1.700 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347304792 410458458 /nfs/dbraw/zinc/45/84/58/410458458.db2.gz LPQWHCXYRIHHQV-GASCZTMLSA-N 1 1 324.377 1.700 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355431063 410511474 /nfs/dbraw/zinc/51/14/74/410511474.db2.gz HHOAPSVDHOJZMR-UHFFFAOYSA-N 1 1 314.305 1.695 20 5 DDBDMO CC[N@@H+](CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000347401294 410520927 /nfs/dbraw/zinc/52/09/27/410520927.db2.gz CKYNOAIODKRPTC-UHFFFAOYSA-N 1 1 301.350 2.434 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299097189 410520159 /nfs/dbraw/zinc/52/01/59/410520159.db2.gz LBNTUIFRWJGLMZ-UHFFFAOYSA-N 1 1 320.374 1.773 20 5 DDBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299097189 410520162 /nfs/dbraw/zinc/52/01/62/410520162.db2.gz LBNTUIFRWJGLMZ-UHFFFAOYSA-N 1 1 320.374 1.773 20 5 DDBDMO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343555723 410530245 /nfs/dbraw/zinc/53/02/45/410530245.db2.gz FMKMHTSCLACJOZ-GFCCVEGCSA-N 1 1 307.350 1.905 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343555723 410530248 /nfs/dbraw/zinc/53/02/48/410530248.db2.gz FMKMHTSCLACJOZ-GFCCVEGCSA-N 1 1 307.350 1.905 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347662141 410661216 /nfs/dbraw/zinc/66/12/16/410661216.db2.gz YYTVUFAVBCOGGT-NSHDSACASA-N 1 1 322.365 1.248 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330579872 410793747 /nfs/dbraw/zinc/79/37/47/410793747.db2.gz IHOMCXCZHJJCMT-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348174281 410837050 /nfs/dbraw/zinc/83/70/50/410837050.db2.gz KIPJQQZEKGPNMA-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000356150099 410864726 /nfs/dbraw/zinc/86/47/26/410864726.db2.gz HTHWUJYCCXUDRA-GHMZBOCLSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330836110 410897121 /nfs/dbraw/zinc/89/71/21/410897121.db2.gz KMIAPKLTJKLNKR-MBNYWOFBSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000331294214 411063748 /nfs/dbraw/zinc/06/37/48/411063748.db2.gz RHWFVLWIWJQEKD-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000331294214 411063752 /nfs/dbraw/zinc/06/37/52/411063752.db2.gz RHWFVLWIWJQEKD-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000356447183 411035649 /nfs/dbraw/zinc/03/56/49/411035649.db2.gz NLKOQGDHZWSCDN-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO NC(=O)c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000192510220 418523857 /nfs/dbraw/zinc/52/38/57/418523857.db2.gz WWIRTXKAEIRAEB-GFCCVEGCSA-N 1 1 304.350 1.368 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000191814915 222110343 /nfs/dbraw/zinc/11/03/43/222110343.db2.gz KYURIMWZMSHPGJ-WDEREUQCSA-N 1 1 307.354 1.120 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375053030 418595650 /nfs/dbraw/zinc/59/56/50/418595650.db2.gz DWUBOMYXJFZFGQ-UKRRQHHQSA-N 1 1 303.362 1.690 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375053878 418596534 /nfs/dbraw/zinc/59/65/34/418596534.db2.gz IJANSJJBAVLURK-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000361658078 418697578 /nfs/dbraw/zinc/69/75/78/418697578.db2.gz XEWVWXRPWDWGSL-GXFFZTMASA-N 1 1 308.334 1.522 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371446959 418791102 /nfs/dbraw/zinc/79/11/02/418791102.db2.gz IENKFCGEZMSPCE-OLZOCXBDSA-N 1 1 308.382 1.967 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000371544171 418799226 /nfs/dbraw/zinc/79/92/26/418799226.db2.gz DPLVYQAWWQXUDN-UKRRQHHQSA-N 1 1 303.362 1.690 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CCOCC3)CC2)nc1 ZINC000364927608 418823804 /nfs/dbraw/zinc/82/38/04/418823804.db2.gz AGLWPKDCDMBUQG-UHFFFAOYSA-N 1 1 307.354 1.076 20 5 DDBDMO CCc1nn(C)c(N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000372876349 418911705 /nfs/dbraw/zinc/91/17/05/418911705.db2.gz HWAGKMNSWGXATO-UHFFFAOYSA-N 1 1 307.398 1.955 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420950420 419379633 /nfs/dbraw/zinc/37/96/33/419379633.db2.gz WLNMYJIRUJFWIO-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCC[N@H+]1C ZINC000420993407 419428905 /nfs/dbraw/zinc/42/89/05/419428905.db2.gz ATBYJVMNQOVPLL-SWLSCSKDSA-N 1 1 320.393 1.948 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421237748 419534317 /nfs/dbraw/zinc/53/43/17/419534317.db2.gz LBQFJLADEOKKBT-CYBMUJFWSA-N 1 1 320.349 1.086 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)n1 ZINC000418994795 420042233 /nfs/dbraw/zinc/04/22/33/420042233.db2.gz IEJFYMGDEXZMRF-STQMWFEESA-N 1 1 308.382 1.498 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000430232245 420093452 /nfs/dbraw/zinc/09/34/52/420093452.db2.gz LPYSAKJUQBCELL-CYBMUJFWSA-N 1 1 323.393 1.756 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000430232245 420093456 /nfs/dbraw/zinc/09/34/56/420093456.db2.gz LPYSAKJUQBCELL-CYBMUJFWSA-N 1 1 323.393 1.756 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430265355 420098099 /nfs/dbraw/zinc/09/80/99/420098099.db2.gz UZISAMBOHPKNEI-HNNXBMFYSA-N 1 1 317.349 1.429 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430265355 420098103 /nfs/dbraw/zinc/09/81/03/420098103.db2.gz UZISAMBOHPKNEI-HNNXBMFYSA-N 1 1 317.349 1.429 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415631664 420129276 /nfs/dbraw/zinc/12/92/76/420129276.db2.gz NJXVXLLVCKNTFZ-CYBMUJFWSA-N 1 1 314.292 1.899 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919278 420205102 /nfs/dbraw/zinc/20/51/02/420205102.db2.gz PVUPFVBIAPJKON-OCCSQVGLSA-N 1 1 320.393 1.901 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000453041967 420706450 /nfs/dbraw/zinc/70/64/50/420706450.db2.gz SBRBRONHRZNGNX-KKUMJFAQSA-N 1 1 310.398 1.765 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)o1 ZINC000459712823 420854913 /nfs/dbraw/zinc/85/49/13/420854913.db2.gz RTXHBDLSVLIVMA-NHYWBVRUSA-N 1 1 318.329 1.640 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459727662 420859078 /nfs/dbraw/zinc/85/90/78/420859078.db2.gz RADGWICRIFVNAM-RQPMMQJISA-N 1 1 306.362 1.817 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@H](C)C1 ZINC000456045094 421093073 /nfs/dbraw/zinc/09/30/73/421093073.db2.gz FHDLUUHCCQTDHR-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@H](C)C1 ZINC000456045094 421093075 /nfs/dbraw/zinc/09/30/75/421093075.db2.gz FHDLUUHCCQTDHR-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449748070 421073964 /nfs/dbraw/zinc/07/39/64/421073964.db2.gz ZFZKYBKTALZAMF-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449748070 421073967 /nfs/dbraw/zinc/07/39/67/421073967.db2.gz ZFZKYBKTALZAMF-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000450388646 421191787 /nfs/dbraw/zinc/19/17/87/421191787.db2.gz IKMBISLBKFSKEU-JSGCOSHPSA-N 1 1 321.381 1.240 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc(C)cc1[N+](=O)[O-])C(C)C ZINC000450593583 421214480 /nfs/dbraw/zinc/21/44/80/421214480.db2.gz BDMZJYMRDQKIQF-ZDUSSCGKSA-N 1 1 324.381 1.887 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@]1(C)CO ZINC000546103789 421285420 /nfs/dbraw/zinc/28/54/20/421285420.db2.gz YTCNARAZFZTCBF-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@]1(C)CO ZINC000546103789 421285423 /nfs/dbraw/zinc/28/54/23/421285423.db2.gz YTCNARAZFZTCBF-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1nn(CCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000525291736 421285794 /nfs/dbraw/zinc/28/57/94/421285794.db2.gz PMBMTQZXEKMUEH-LLVKDONJSA-N 1 1 323.397 1.256 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548408047 421435841 /nfs/dbraw/zinc/43/58/41/421435841.db2.gz FHXJSYIPSYCCTH-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO CNc1nccc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000563375841 421496130 /nfs/dbraw/zinc/49/61/30/421496130.db2.gz FWDPRPRPEOHNHM-UHFFFAOYSA-N 1 1 321.381 1.588 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418845 421506706 /nfs/dbraw/zinc/50/67/06/421506706.db2.gz QINQVXDWMRYTBR-IUODEOHRSA-N 1 1 304.394 1.418 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418845 421506709 /nfs/dbraw/zinc/50/67/09/421506709.db2.gz QINQVXDWMRYTBR-IUODEOHRSA-N 1 1 304.394 1.418 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000552418441 421586113 /nfs/dbraw/zinc/58/61/13/421586113.db2.gz ZLXCUFZLTLQXQN-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000552418441 421586114 /nfs/dbraw/zinc/58/61/14/421586114.db2.gz ZLXCUFZLTLQXQN-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000552418441 421586115 /nfs/dbraw/zinc/58/61/15/421586115.db2.gz ZLXCUFZLTLQXQN-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580901476 421861899 /nfs/dbraw/zinc/86/18/99/421861899.db2.gz VHMNZSUFYQWMLG-UHFFFAOYSA-N 1 1 321.377 1.822 20 5 DDBDMO CC[N@@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)CCC(F)(F)F ZINC000596210155 422370484 /nfs/dbraw/zinc/37/04/84/422370484.db2.gz KOGWWGWPXMPPMU-UHFFFAOYSA-N 1 1 321.303 2.258 20 5 DDBDMO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCO1 ZINC000590694559 422322748 /nfs/dbraw/zinc/32/27/48/422322748.db2.gz PHMSXOGQHWNILY-XHDPSFHLSA-N 1 1 316.361 2.274 20 5 DDBDMO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000590694559 422322753 /nfs/dbraw/zinc/32/27/53/422322753.db2.gz PHMSXOGQHWNILY-XHDPSFHLSA-N 1 1 316.361 2.274 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000341583121 271127309 /nfs/dbraw/zinc/12/73/09/271127309.db2.gz UISULLXAWUIHOU-JSGCOSHPSA-N 1 1 307.350 1.257 20 5 DDBDMO Cc1cccc(NCCNc2cccc(C(N)=O)c2[N+](=O)[O-])[nH+]1 ZINC000342121203 271305562 /nfs/dbraw/zinc/30/55/62/271305562.db2.gz CBAJMXCACRVRAG-UHFFFAOYSA-N 1 1 315.333 1.921 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000347367523 272674216 /nfs/dbraw/zinc/67/42/16/272674216.db2.gz WVGBEEOSICRMHI-LLVKDONJSA-N 1 1 307.354 1.075 20 5 DDBDMO COCC[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000153719366 274032029 /nfs/dbraw/zinc/03/20/29/274032029.db2.gz DQYXNGHDYALSGQ-JTQLQIEISA-N 1 1 314.773 1.800 20 5 DDBDMO COCC[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000153719366 274032030 /nfs/dbraw/zinc/03/20/30/274032030.db2.gz DQYXNGHDYALSGQ-JTQLQIEISA-N 1 1 314.773 1.800 20 5 DDBDMO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000302077700 275596968 /nfs/dbraw/zinc/59/69/68/275596968.db2.gz ANLCTQABXVHZMG-GFCCVEGCSA-N 1 1 309.370 1.544 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000273152699 276381203 /nfs/dbraw/zinc/38/12/03/276381203.db2.gz IGQHTGFELDVGAI-CHWSQXEVSA-N 1 1 323.393 1.885 20 5 DDBDMO CNC(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299359963 277017172 /nfs/dbraw/zinc/01/71/72/277017172.db2.gz UXWCAMJIFCOEFE-UHFFFAOYSA-N 1 1 304.350 1.239 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657624 277044991 /nfs/dbraw/zinc/04/49/91/277044991.db2.gz DILMAMPINKGBRY-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO COc1cc(C[NH2+][C@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])cc1F ZINC000297609250 277378361 /nfs/dbraw/zinc/37/83/61/277378361.db2.gz KNDGFQMZPLQKGM-AWEZNQCLSA-N 1 1 313.329 1.732 20 5 DDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179710525 278242031 /nfs/dbraw/zinc/24/20/31/278242031.db2.gz ODCGDVVUYJLXJR-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179710525 278242033 /nfs/dbraw/zinc/24/20/33/278242033.db2.gz ODCGDVVUYJLXJR-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179710525 278242034 /nfs/dbraw/zinc/24/20/34/278242034.db2.gz ODCGDVVUYJLXJR-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cccc(OC)c1[N+](=O)[O-])C1CC1 ZINC000192515150 279205318 /nfs/dbraw/zinc/20/53/18/279205318.db2.gz LUSICSHHCFEUIM-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000127272628 281269838 /nfs/dbraw/zinc/26/98/38/281269838.db2.gz MEPPICMXHSDOKR-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362659647 300111188 /nfs/dbraw/zinc/11/11/88/300111188.db2.gz WTTCJOJSTVKTHB-LBPRGKRZSA-N 1 1 308.382 1.641 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000362718761 300122272 /nfs/dbraw/zinc/12/22/72/300122272.db2.gz AZIPGFODBMBENO-LSDHHAIUSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000362718761 300122274 /nfs/dbraw/zinc/12/22/74/300122274.db2.gz AZIPGFODBMBENO-LSDHHAIUSA-N 1 1 319.361 1.578 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363076709 300207255 /nfs/dbraw/zinc/20/72/55/300207255.db2.gz WRTSNPWFVZZWGK-YHWZYXNKSA-N 1 1 321.381 1.089 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125566 300215735 /nfs/dbraw/zinc/21/57/35/300215735.db2.gz RFBOOHWYROVARE-DZGCQCFKSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C1NCCCC[C@@H]1[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012306 301119541 /nfs/dbraw/zinc/11/95/41/301119541.db2.gz UWTKDQWGXVZDII-AAEUAGOBSA-N 1 1 307.354 1.097 20 5 DDBDMO CCOC(=O)[C@@H](CC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670543 301208946 /nfs/dbraw/zinc/20/89/46/301208946.db2.gz NTMBRNUCSOTJOL-GFCCVEGCSA-N 1 1 310.354 1.770 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370081697 301272522 /nfs/dbraw/zinc/27/25/22/301272522.db2.gz KAANNVZMXXCATI-MRXNPFEDSA-N 1 1 319.361 1.770 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223569 301297690 /nfs/dbraw/zinc/29/76/90/301297690.db2.gz DHGZITCHKUVJBV-KCQAQPDRSA-N 1 1 322.361 1.445 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000370285627 301309394 /nfs/dbraw/zinc/30/93/94/301309394.db2.gz ONIMVCQAXAVSMO-STQMWFEESA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000370285627 301309395 /nfs/dbraw/zinc/30/93/95/301309395.db2.gz ONIMVCQAXAVSMO-STQMWFEESA-N 1 1 306.366 1.842 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000375994950 302021135 /nfs/dbraw/zinc/02/11/35/302021135.db2.gz OJLALPCUDGNNMF-YRGRVCCFSA-N 1 1 308.382 1.844 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000377767456 302229403 /nfs/dbraw/zinc/22/94/03/302229403.db2.gz MWILFINXCYXDFK-UONOGXRCSA-N 1 1 306.366 1.825 20 5 DDBDMO COCCC[N@H+]1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000377856711 302243597 /nfs/dbraw/zinc/24/35/97/302243597.db2.gz QUFGJMSOANHLTF-UHFFFAOYSA-N 1 1 311.386 1.185 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641908 302359866 /nfs/dbraw/zinc/35/98/66/302359866.db2.gz XMMALNVQKMATHG-RYUDHWBXSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641908 302359868 /nfs/dbraw/zinc/35/98/68/302359868.db2.gz XMMALNVQKMATHG-RYUDHWBXSA-N 1 1 307.350 1.484 20 5 DDBDMO CC[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531026001 303225923 /nfs/dbraw/zinc/22/59/23/303225923.db2.gz SHBZZADJFVZNDX-SMDDNHRTSA-N 1 1 317.345 1.959 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363398880 307027289 /nfs/dbraw/zinc/02/72/89/307027289.db2.gz QBJWAAMWMCFAND-ZNMIVQPWSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363398880 307027290 /nfs/dbraw/zinc/02/72/90/307027290.db2.gz QBJWAAMWMCFAND-ZNMIVQPWSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363398880 307027291 /nfs/dbraw/zinc/02/72/91/307027291.db2.gz QBJWAAMWMCFAND-ZNMIVQPWSA-N 1 1 318.377 1.075 20 5 DDBDMO C=Cn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000365336547 307065244 /nfs/dbraw/zinc/06/52/44/307065244.db2.gz JMPIHJFSYYSYGP-ZDUSSCGKSA-N 1 1 302.338 1.925 20 5 DDBDMO C=Cn1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000365336547 307065245 /nfs/dbraw/zinc/06/52/45/307065245.db2.gz JMPIHJFSYYSYGP-ZDUSSCGKSA-N 1 1 302.338 1.925 20 5 DDBDMO CSC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294467 307167731 /nfs/dbraw/zinc/16/77/31/307167731.db2.gz JNMAYJPFDUZMTI-PWSUYJOCSA-N 1 1 300.384 1.152 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000373142418 307180387 /nfs/dbraw/zinc/18/03/87/307180387.db2.gz TWHLPVPDYYFKIS-ZIAGYGMSSA-N 1 1 308.382 1.930 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373269964 307183125 /nfs/dbraw/zinc/18/31/25/307183125.db2.gz IPWYIMZGESAPDA-AWEZNQCLSA-N 1 1 307.306 1.850 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373269964 307183126 /nfs/dbraw/zinc/18/31/26/307183126.db2.gz IPWYIMZGESAPDA-AWEZNQCLSA-N 1 1 307.306 1.850 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373938065 307198197 /nfs/dbraw/zinc/19/81/97/307198197.db2.gz MJVAOBUTAYURIQ-RYUDHWBXSA-N 1 1 304.350 1.655 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374052573 307200834 /nfs/dbraw/zinc/20/08/34/307200834.db2.gz VSRKLTILUHHPJM-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H](CO)C1 ZINC000374052573 307200835 /nfs/dbraw/zinc/20/08/35/307200835.db2.gz VSRKLTILUHHPJM-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000375270752 307219997 /nfs/dbraw/zinc/21/99/97/307219997.db2.gz VSNQKELPBSFYLM-ZNMIVQPWSA-N 1 1 318.377 1.218 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@@H]21 ZINC000376662927 307252307 /nfs/dbraw/zinc/25/23/07/307252307.db2.gz DANQRIJTORCLAL-GWCFXTLKSA-N 1 1 307.325 1.900 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000514517485 307400153 /nfs/dbraw/zinc/40/01/53/307400153.db2.gz XZDPZKQWMKVGTM-GFCCVEGCSA-N 1 1 306.322 1.559 20 5 DDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000535958036 307662388 /nfs/dbraw/zinc/66/23/88/307662388.db2.gz ASLFZNNVNBLOEY-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000573705986 308249727 /nfs/dbraw/zinc/24/97/27/308249727.db2.gz KWTPKWXLRUFQKN-NSHDSACASA-N 1 1 322.365 1.642 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736785 484216680 /nfs/dbraw/zinc/21/66/80/484216680.db2.gz QYWDMGOFQQFENW-FRRDWIJNSA-N 1 1 310.350 1.037 20 5 DDBDMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000589583757 490359283 /nfs/dbraw/zinc/35/92/83/490359283.db2.gz UMPARBKBZQQRTN-NSHDSACASA-N 1 1 324.333 1.215 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000226230286 490701450 /nfs/dbraw/zinc/70/14/50/490701450.db2.gz ZNAOTTPPAWLLIN-UHFFFAOYSA-N 1 1 312.351 1.964 20 5 DDBDMO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000292665474 534072995 /nfs/dbraw/zinc/07/29/95/534072995.db2.gz OSGJTDITBIFJRS-VIFPVBQESA-N 1 1 319.358 1.210 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000445132748 527929696 /nfs/dbraw/zinc/92/96/96/527929696.db2.gz GYHZMFCAICFXRB-VHSXEESVSA-N 1 1 308.338 1.250 20 5 DDBDMO CCC[N@@H+](CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000299407646 527963255 /nfs/dbraw/zinc/96/32/55/527963255.db2.gz YFBDYGASAUEYNW-UHFFFAOYSA-N 1 1 309.322 1.994 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000746236289 700012789 /nfs/dbraw/zinc/01/27/89/700012789.db2.gz WJJKZIGJLDQAGR-JTQLQIEISA-N 1 1 311.313 1.323 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964246 696378951 /nfs/dbraw/zinc/37/89/51/696378951.db2.gz UJZCOFAZXRSHMP-CHWSQXEVSA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964246 696378953 /nfs/dbraw/zinc/37/89/53/696378953.db2.gz UJZCOFAZXRSHMP-CHWSQXEVSA-N 1 1 323.397 1.766 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153538795 696916936 /nfs/dbraw/zinc/91/69/36/696916936.db2.gz XBESYVHINLJIHS-LLVKDONJSA-N 1 1 322.321 1.669 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2ccccc2)CC1 ZINC000981137435 697015436 /nfs/dbraw/zinc/01/54/36/697015436.db2.gz VGBCCNMCWKLDJN-HZPDHXFCSA-N 1 1 317.389 1.429 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000981137435 697015440 /nfs/dbraw/zinc/01/54/40/697015440.db2.gz VGBCCNMCWKLDJN-HZPDHXFCSA-N 1 1 317.389 1.429 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCc2ccccc2)CC1 ZINC000981137435 697015443 /nfs/dbraw/zinc/01/54/43/697015443.db2.gz VGBCCNMCWKLDJN-HZPDHXFCSA-N 1 1 317.389 1.429 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656974 697287183 /nfs/dbraw/zinc/28/71/83/697287183.db2.gz FUZKKFTWWCXAHY-NMFUWQPSSA-N 1 1 321.421 1.716 20 5 DDBDMO CCC(=O)N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274963 698090924 /nfs/dbraw/zinc/09/09/24/698090924.db2.gz DZARDDBCJNKOAX-HNNXBMFYSA-N 1 1 321.377 1.573 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274963 698090928 /nfs/dbraw/zinc/09/09/28/698090928.db2.gz DZARDDBCJNKOAX-HNNXBMFYSA-N 1 1 321.377 1.573 20 5 DDBDMO COCCO[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594001 698124073 /nfs/dbraw/zinc/12/40/73/698124073.db2.gz QQMCHLJJVMRAAH-CVEARBPZSA-N 1 1 324.377 1.756 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000750095181 700203431 /nfs/dbraw/zinc/20/34/31/700203431.db2.gz WHGSUHRSMZVIKW-KBPBESRZSA-N 1 1 312.391 1.428 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000752291758 700353389 /nfs/dbraw/zinc/35/33/89/700353389.db2.gz DXGNRVDTWGWIPH-UHFFFAOYSA-N 1 1 318.377 1.631 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000752743946 700384091 /nfs/dbraw/zinc/38/40/91/700384091.db2.gz BSYDWPQUQNCJIN-ZDUSSCGKSA-N 1 1 321.377 1.803 20 5 DDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000755208488 700556221 /nfs/dbraw/zinc/55/62/21/700556221.db2.gz XWKUGUKDHQKDKC-HNNXBMFYSA-N 1 1 315.329 1.787 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2C)n1 ZINC000755565362 700570873 /nfs/dbraw/zinc/57/08/73/700570873.db2.gz XIVGXIAMFOLCIY-UHFFFAOYSA-N 1 1 307.310 1.563 20 5 DDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000809970534 701707796 /nfs/dbraw/zinc/70/77/96/701707796.db2.gz CBKZUOAUHXFUFF-AWEZNQCLSA-N 1 1 305.378 1.721 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318739 706648132 /nfs/dbraw/zinc/64/81/32/706648132.db2.gz ZXQJKCVZBWBBBP-XNRPHZJLSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866207487 706649251 /nfs/dbraw/zinc/64/92/51/706649251.db2.gz PMBFWAWYQMDZMM-VHSXEESVSA-N 1 1 307.379 1.834 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000816953655 702237938 /nfs/dbraw/zinc/23/79/38/702237938.db2.gz LOOSPBQXZXQKGV-IAQYHMDHSA-N 1 1 318.377 1.437 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000842624161 702744728 /nfs/dbraw/zinc/74/47/28/702744728.db2.gz NDDLFUFCAWFUFM-MRXNPFEDSA-N 1 1 316.361 1.823 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000842624161 702744729 /nfs/dbraw/zinc/74/47/29/702744729.db2.gz NDDLFUFCAWFUFM-MRXNPFEDSA-N 1 1 316.361 1.823 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441827 703032154 /nfs/dbraw/zinc/03/21/54/703032154.db2.gz UJRPJMOVKOXMNE-CYBMUJFWSA-N 1 1 313.304 1.878 20 5 DDBDMO C[N@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000844743490 703067409 /nfs/dbraw/zinc/06/74/09/703067409.db2.gz YMZBSWXSTSUGFG-HNNXBMFYSA-N 1 1 315.377 1.608 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485943 703556064 /nfs/dbraw/zinc/55/60/64/703556064.db2.gz BEDOXGMMEVRBFL-WFASDCNBSA-N 1 1 321.377 1.835 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485943 703556066 /nfs/dbraw/zinc/55/60/66/703556066.db2.gz BEDOXGMMEVRBFL-WFASDCNBSA-N 1 1 321.377 1.835 20 5 DDBDMO COCC[N@@H+](CCF)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852480199 704058086 /nfs/dbraw/zinc/05/80/86/704058086.db2.gz PYBYDABIHBXPKO-UHFFFAOYSA-N 1 1 313.329 1.841 20 5 DDBDMO COC[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870886300 704157939 /nfs/dbraw/zinc/15/79/39/704157939.db2.gz CRFDFFPHGWWVQO-LRDDRELGSA-N 1 1 321.377 1.654 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880304418 706934723 /nfs/dbraw/zinc/93/47/23/706934723.db2.gz ZBYNYGHSROJGAJ-JTQLQIEISA-N 1 1 308.260 1.445 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880304418 706934728 /nfs/dbraw/zinc/93/47/28/706934728.db2.gz ZBYNYGHSROJGAJ-JTQLQIEISA-N 1 1 308.260 1.445 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179357 705163360 /nfs/dbraw/zinc/16/33/60/705163360.db2.gz MBSPJRJIJYEQHA-HOTGVXAUSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179357 705163361 /nfs/dbraw/zinc/16/33/61/705163361.db2.gz MBSPJRJIJYEQHA-HOTGVXAUSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179357 705163364 /nfs/dbraw/zinc/16/33/64/705163364.db2.gz MBSPJRJIJYEQHA-HOTGVXAUSA-N 1 1 307.394 1.900 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118403 705604065 /nfs/dbraw/zinc/60/40/65/705604065.db2.gz SMTZNJCTSZGBEJ-RBSFLKMASA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776604 705729671 /nfs/dbraw/zinc/72/96/71/705729671.db2.gz JUIRMXGUFHTWHE-HIFRSBDPSA-N 1 1 319.361 1.229 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329451 705977035 /nfs/dbraw/zinc/97/70/35/705977035.db2.gz GPTJISULARIDQJ-CHWSQXEVSA-N 1 1 319.361 1.770 20 5 DDBDMO CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993204 707272659 /nfs/dbraw/zinc/27/26/59/707272659.db2.gz MQTQIZYNXVNXQL-IAQYHMDHSA-N 1 1 322.361 1.759 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828095282 706117591 /nfs/dbraw/zinc/11/75/91/706117591.db2.gz LWXFGHNKNAAQTN-TYNCELHUSA-N 1 1 321.377 1.569 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000829261953 706310953 /nfs/dbraw/zinc/31/09/53/706310953.db2.gz QRXDTIZWXNGNJY-CABCVRRESA-N 1 1 324.402 1.836 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000829261953 706310955 /nfs/dbraw/zinc/31/09/55/706310955.db2.gz QRXDTIZWXNGNJY-CABCVRRESA-N 1 1 324.402 1.836 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829337406 706320943 /nfs/dbraw/zinc/32/09/43/706320943.db2.gz GTIXNJDWGJTBGY-MRXNPFEDSA-N 1 1 316.361 1.557 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015879 706438073 /nfs/dbraw/zinc/43/80/73/706438073.db2.gz GFDYBIMLQOTUNX-XPTSAGLGSA-N 1 1 307.325 1.946 20 5 DDBDMO Cn1nnnc1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878679149 706466732 /nfs/dbraw/zinc/46/67/32/706466732.db2.gz UJQDLLHFIRTDMZ-ZDUSSCGKSA-N 1 1 316.365 1.540 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137798 706887388 /nfs/dbraw/zinc/88/73/88/706887388.db2.gz KVMDWBWLQJUECK-ARFHVFGLSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137798 706887394 /nfs/dbraw/zinc/88/73/94/706887394.db2.gz KVMDWBWLQJUECK-ARFHVFGLSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137798 706887399 /nfs/dbraw/zinc/88/73/99/706887399.db2.gz KVMDWBWLQJUECK-ARFHVFGLSA-N 1 1 305.378 1.797 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148200 706892692 /nfs/dbraw/zinc/89/26/92/706892692.db2.gz SYCXPVRGVVWPLU-CHWSQXEVSA-N 1 1 324.377 1.427 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434018 706974457 /nfs/dbraw/zinc/97/44/57/706974457.db2.gz VOMMNTDVPXIFIM-QLFBSQMISA-N 1 1 310.350 1.364 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000872726655 707574160 /nfs/dbraw/zinc/57/41/60/707574160.db2.gz UEAOAUKBONLFGV-DZGCQCFKSA-N 1 1 315.377 1.928 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000837184906 707592916 /nfs/dbraw/zinc/59/29/16/707592916.db2.gz PBXCTGNZFLQMPV-LBPRGKRZSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872772923 707593898 /nfs/dbraw/zinc/59/38/98/707593898.db2.gz CLYASZUFHAARQL-LLVKDONJSA-N 1 1 319.365 1.994 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872772923 707593904 /nfs/dbraw/zinc/59/39/04/707593904.db2.gz CLYASZUFHAARQL-LLVKDONJSA-N 1 1 319.365 1.994 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781391 707597522 /nfs/dbraw/zinc/59/75/22/707597522.db2.gz SNOOOTIVEXZASB-NEPJUHHUSA-N 1 1 301.350 1.915 20 5 DDBDMO CC1CC[NH+](Cc2cn(CCn3cc([N+](=O)[O-])cn3)nn2)CC1 ZINC000883995581 708096422 /nfs/dbraw/zinc/09/64/22/708096422.db2.gz SQXSAZPUPOTOFQ-UHFFFAOYSA-N 1 1 319.369 1.315 20 5 DDBDMO Cc1cnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221609 708259262 /nfs/dbraw/zinc/25/92/62/708259262.db2.gz NSDXAKLRZJVJLE-OLZOCXBDSA-N 1 1 306.366 1.334 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)C[C@H]3CCCO3)c2c1 ZINC000884614247 708339267 /nfs/dbraw/zinc/33/92/67/708339267.db2.gz IITSMZHKAPYOBM-DGCLKSJQSA-N 1 1 317.345 1.907 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000897617867 708395152 /nfs/dbraw/zinc/39/51/52/708395152.db2.gz FZIIZTVLGIPJGO-BETUJISGSA-N 1 1 324.402 1.688 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000897617867 708395156 /nfs/dbraw/zinc/39/51/56/708395156.db2.gz FZIIZTVLGIPJGO-BETUJISGSA-N 1 1 324.402 1.688 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887934918 709171231 /nfs/dbraw/zinc/17/12/31/709171231.db2.gz ZQEMBTOGDZLXQJ-WBMJQRKESA-N 1 1 303.362 1.927 20 5 DDBDMO Cc1c(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000899936072 709242906 /nfs/dbraw/zinc/24/29/06/709242906.db2.gz PHZBTSGRNWHWMH-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000893186702 710568333 /nfs/dbraw/zinc/56/83/33/710568333.db2.gz BBJCHRLMHFTBLK-OAHLLOKOSA-N 1 1 320.324 1.183 20 5 DDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928560791 713227001 /nfs/dbraw/zinc/22/70/01/713227001.db2.gz VLOUWVGMLIPRFL-ZFWWWQNUSA-N 1 1 305.378 1.984 20 5 DDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928569792 713232774 /nfs/dbraw/zinc/23/27/74/713232774.db2.gz RGLXLMCQQFYNDL-PWSUYJOCSA-N 1 1 309.391 1.896 20 5 DDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928569792 713232777 /nfs/dbraw/zinc/23/27/77/713232777.db2.gz RGLXLMCQQFYNDL-PWSUYJOCSA-N 1 1 309.391 1.896 20 5 DDBDMO CC(=O)c1ccc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246142 711463807 /nfs/dbraw/zinc/46/38/07/711463807.db2.gz LVWVGFMQPQAHIM-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246142 711463808 /nfs/dbraw/zinc/46/38/08/711463808.db2.gz LVWVGFMQPQAHIM-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN(C)CC[N@H+]1C ZINC000895246827 711464632 /nfs/dbraw/zinc/46/46/32/711464632.db2.gz QNLVKDDNNJISRN-IINYFYTJSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000895246827 711464635 /nfs/dbraw/zinc/46/46/35/711464635.db2.gz QNLVKDDNNJISRN-IINYFYTJSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@@H+](C)CCN1C ZINC000895246827 711464636 /nfs/dbraw/zinc/46/46/36/711464636.db2.gz QNLVKDDNNJISRN-IINYFYTJSA-N 1 1 318.381 1.517 20 5 DDBDMO Cc1cc(NC[C@H]2CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895771042 711602092 /nfs/dbraw/zinc/60/20/92/711602092.db2.gz FYMFXSRAIYMIBY-CQSZACIVSA-N 1 1 313.361 1.898 20 5 DDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896570061 711755056 /nfs/dbraw/zinc/75/50/56/711755056.db2.gz XCFKTFONGULAJX-QMTHXVAHSA-N 1 1 324.356 1.098 20 5 DDBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929526550 713630523 /nfs/dbraw/zinc/63/05/23/713630523.db2.gz SHBQAMDDKSNGEP-GFCCVEGCSA-N 1 1 301.387 1.985 20 5 DDBDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000930848213 713936728 /nfs/dbraw/zinc/93/67/28/713936728.db2.gz YWYDPDBTJGMAIO-WFASDCNBSA-N 1 1 313.398 1.890 20 5 DDBDMO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557439 714087759 /nfs/dbraw/zinc/08/77/59/714087759.db2.gz OEOVQLIWOIYUAL-PWSUYJOCSA-N 1 1 309.366 1.794 20 5 DDBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557439 714087760 /nfs/dbraw/zinc/08/77/60/714087760.db2.gz OEOVQLIWOIYUAL-PWSUYJOCSA-N 1 1 309.366 1.794 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3nc[nH]c3C23CCC3)n1 ZINC000931678344 714158885 /nfs/dbraw/zinc/15/88/85/714158885.db2.gz XXVNUTDLVQAOEJ-UHFFFAOYSA-N 1 1 302.338 1.452 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3nc[nH]c3C23CCC3)n1 ZINC000931678344 714158887 /nfs/dbraw/zinc/15/88/87/714158887.db2.gz XXVNUTDLVQAOEJ-UHFFFAOYSA-N 1 1 302.338 1.452 20 5 DDBDMO O=C1N[C@@H](C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)CO1 ZINC000932770793 714410220 /nfs/dbraw/zinc/41/02/20/714410220.db2.gz RBZKDDOYIGFPHH-GFCCVEGCSA-N 1 1 306.322 1.310 20 5 DDBDMO Cn1nccc1[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000933531149 714610426 /nfs/dbraw/zinc/61/04/26/714610426.db2.gz LVFXMXXNZNGYNC-MRXNPFEDSA-N 1 1 316.361 1.944 20 5 DDBDMO Cn1nccc1[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000933531149 714610427 /nfs/dbraw/zinc/61/04/27/714610427.db2.gz LVFXMXXNZNGYNC-MRXNPFEDSA-N 1 1 316.361 1.944 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925427316 714853340 /nfs/dbraw/zinc/85/33/40/714853340.db2.gz ZXYAVHYVZNODNI-AWEZNQCLSA-N 1 1 306.366 1.483 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000934889911 714925108 /nfs/dbraw/zinc/92/51/08/714925108.db2.gz KUJIQDSEROSXDY-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO O=[N+]([O-])c1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165054700 722008457 /nfs/dbraw/zinc/00/84/57/722008457.db2.gz YRAMDLABQMDYIN-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039583641 735104341 /nfs/dbraw/zinc/10/43/41/735104341.db2.gz SYHNUNMDKWWJIL-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039583641 735104344 /nfs/dbraw/zinc/10/43/44/735104344.db2.gz SYHNUNMDKWWJIL-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039583641 735104346 /nfs/dbraw/zinc/10/43/46/735104346.db2.gz SYHNUNMDKWWJIL-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO CC(=O)N1CCC(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029921176 741589748 /nfs/dbraw/zinc/58/97/48/741589748.db2.gz RSOPWWUNVJEVPC-UHFFFAOYSA-N 1 1 309.370 1.019 20 5 DDBDMO CC(=O)N1CCC(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029921176 741589750 /nfs/dbraw/zinc/58/97/50/741589750.db2.gz RSOPWWUNVJEVPC-UHFFFAOYSA-N 1 1 309.370 1.019 20 5 DDBDMO Cc1nc(NC(=O)c2cc(C[NH+](C)C)on2)ccc1[N+](=O)[O-] ZINC001126706676 741790108 /nfs/dbraw/zinc/79/01/08/741790108.db2.gz ACPHLXYKOFBDLU-UHFFFAOYSA-N 1 1 305.294 1.600 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936250 742830699 /nfs/dbraw/zinc/83/06/99/742830699.db2.gz CQWBTLYUZRGGBM-HZPDHXFCSA-N 1 1 317.389 1.825 20 5 DDBDMO O=C(NC1CC[NH+](CCCC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788970 743419209 /nfs/dbraw/zinc/41/92/09/743419209.db2.gz QRUDWOPPVOEPKV-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897164 746230921 /nfs/dbraw/zinc/23/09/21/746230921.db2.gz BKEPZGVATJVOPQ-GHMZBOCLSA-N 1 1 318.333 1.848 20 5 DDBDMO O=C([C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024988 762201794 /nfs/dbraw/zinc/20/17/94/762201794.db2.gz IKACOTZHJRNTKI-ILXRZTDVSA-N 1 1 309.410 1.909 20 5 DDBDMO CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169052516 762208282 /nfs/dbraw/zinc/20/82/82/762208282.db2.gz GSFVCUQYRVUDRY-RDBSUJKOSA-N 1 1 312.414 1.604 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053572 762209235 /nfs/dbraw/zinc/20/92/35/762209235.db2.gz ITPPFICTYNWZHF-VNHYZAJKSA-N 1 1 321.377 1.989 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000823484733 758318860 /nfs/dbraw/zinc/31/88/60/758318860.db2.gz SFZZBUBMNIXGRJ-GJZGRUSLSA-N 1 1 321.381 1.294 20 5 DDBDMO [NH3+]Cc1ncn(-c2nc3ccccc3c(Cl)c2[N+](=O)[O-])n1 ZINC001157928157 767333526 /nfs/dbraw/zinc/33/35/26/767333526.db2.gz DGOUSWWIEMMCIE-UHFFFAOYSA-N 1 1 304.697 1.836 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C12CCC(CC1)C2 ZINC001130291408 767413160 /nfs/dbraw/zinc/41/31/60/767413160.db2.gz HVLFUTNYWLPYMV-UHFFFAOYSA-N 1 1 321.381 1.114 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001096243571 768741345 /nfs/dbraw/zinc/74/13/45/768741345.db2.gz YHSJPTHEBYJAMG-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO CCC1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001132576501 768997142 /nfs/dbraw/zinc/99/71/42/768997142.db2.gz KOSSAILNFWBKHW-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO CCOCC[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000216932515 770859346 /nfs/dbraw/zinc/85/93/46/770859346.db2.gz MLDHACYSMUHHJJ-UHFFFAOYSA-N 1 1 311.357 1.888 20 5 DDBDMO CNC(=O)C[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183508 777035743 /nfs/dbraw/zinc/03/57/43/777035743.db2.gz ZFOPACXRZOGJQF-SECBINFHSA-N 1 1 313.329 1.351 20 5 DDBDMO CNC(=O)C[N@@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183508 777035750 /nfs/dbraw/zinc/03/57/50/777035750.db2.gz ZFOPACXRZOGJQF-SECBINFHSA-N 1 1 313.329 1.351 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001173222151 777055043 /nfs/dbraw/zinc/05/50/43/777055043.db2.gz PNQWIGZJUBOLLT-SWLSCSKDSA-N 1 1 310.394 1.980 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001173235448 777064527 /nfs/dbraw/zinc/06/45/27/777064527.db2.gz XENVBRJAJUWXLR-OSAQELSMSA-N 1 1 303.362 1.594 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101657547 777352588 /nfs/dbraw/zinc/35/25/88/777352588.db2.gz CUCYMJSFOATKMH-UHFFFAOYSA-N 1 1 308.382 1.805 20 5 DDBDMO Cc1cc(NCCN(C)C(=O)C[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001101657572 777352947 /nfs/dbraw/zinc/35/29/47/777352947.db2.gz DUYOMWARAXNOIR-UHFFFAOYSA-N 1 1 323.397 1.509 20 5 DDBDMO Cc1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001178458328 779058100 /nfs/dbraw/zinc/05/81/00/779058100.db2.gz ATYCBBJOHQMPED-ZIAGYGMSSA-N 1 1 324.381 1.414 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119444481 781455186 /nfs/dbraw/zinc/45/51/86/781455186.db2.gz ZNNWWYYEQHIKAM-HNNXBMFYSA-N 1 1 318.377 1.757 20 5 DDBDMO COc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C ZINC001267194313 837510152 /nfs/dbraw/zinc/51/01/52/837510152.db2.gz NHIKWCBVCCJHMC-ZIAGYGMSSA-N 1 1 321.377 1.217 20 5 DDBDMO COc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001267194313 837510159 /nfs/dbraw/zinc/51/01/59/837510159.db2.gz NHIKWCBVCCJHMC-ZIAGYGMSSA-N 1 1 321.377 1.217 20 5 DDBDMO COc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001267194313 837510166 /nfs/dbraw/zinc/51/01/66/837510166.db2.gz NHIKWCBVCCJHMC-ZIAGYGMSSA-N 1 1 321.377 1.217 20 5 DDBDMO O=C(NC/C=C/C[NH2+]CCc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001268543987 840422444 /nfs/dbraw/zinc/42/24/44/840422444.db2.gz YFWJYDZPARIGDR-PRXHZCDDSA-N 1 1 321.352 1.295 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001161176206 859944832 /nfs/dbraw/zinc/94/48/32/859944832.db2.gz SZOUPKKMLWWOCT-JTQLQIEISA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(NCC[NH+]2CCSCC2)n1 ZINC001157044439 863536076 /nfs/dbraw/zinc/53/60/76/863536076.db2.gz WBJJSIBCVBMKKJ-UHFFFAOYSA-N 1 1 317.802 1.807 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416372 863654245 /nfs/dbraw/zinc/65/42/45/863654245.db2.gz LLEKPUMEEMDPAA-GXTWGEPZSA-N 1 1 307.350 1.229 20 5 DDBDMO O=C(NCCC[NH2+]CCCc1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767469 864118107 /nfs/dbraw/zinc/11/81/07/864118107.db2.gz NQTMCSOVLVLZEF-CHWSQXEVSA-N 1 1 311.407 1.442 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCN(C#N)CC2)ncc1[N+](=O)[O-] ZINC001159101613 865106779 /nfs/dbraw/zinc/10/67/79/865106779.db2.gz KQXWTXXZEMVDEI-ONEGZZNKSA-N 1 1 302.338 1.125 20 5 DDBDMO C[N@@H+]1CCC[C@](C)(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162338206 867469400 /nfs/dbraw/zinc/46/94/00/867469400.db2.gz YRTMQLZCZVDNLP-LBPRGKRZSA-N 1 1 300.746 1.778 20 5 DDBDMO C[N@H+]1CCC[C@](C)(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162338206 867469408 /nfs/dbraw/zinc/46/94/08/867469408.db2.gz YRTMQLZCZVDNLP-LBPRGKRZSA-N 1 1 300.746 1.778 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001335422080 868286486 /nfs/dbraw/zinc/28/64/86/868286486.db2.gz QPNBIYDLVCBQAI-UKRRQHHQSA-N 1 1 318.377 1.483 20 5 DDBDMO COc1cc(NCC2(N(C)C)CC[NH+](C)CC2)cnc1[N+](=O)[O-] ZINC001164213573 869022561 /nfs/dbraw/zinc/02/25/61/869022561.db2.gz WVWQACSTAGMYBI-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CCN(CCC(N)=O)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166590008 870081516 /nfs/dbraw/zinc/08/15/16/870081516.db2.gz SHNVWOMBWWPIOL-FNORWQNLSA-N 1 1 307.354 1.224 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001339998975 870830478 /nfs/dbraw/zinc/83/04/78/870830478.db2.gz LEMQLKCQLXUNRB-ADEWGFFLSA-N 1 1 320.349 1.529 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001340021301 870845587 /nfs/dbraw/zinc/84/55/87/870845587.db2.gz RTJBFQCCISPCDV-OLZOCXBDSA-N 1 1 322.413 1.038 20 5 DDBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001313241629 871784553 /nfs/dbraw/zinc/78/45/53/871784553.db2.gz FRHGCICRFHQHGU-NEPJUHHUSA-N 1 1 322.365 1.022 20 5 DDBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001316824309 872119397 /nfs/dbraw/zinc/11/93/97/872119397.db2.gz WOIOAEQWCQRPJV-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001316824309 872119404 /nfs/dbraw/zinc/11/94/04/872119404.db2.gz WOIOAEQWCQRPJV-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001316824309 872119407 /nfs/dbraw/zinc/11/94/07/872119407.db2.gz WOIOAEQWCQRPJV-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348560408 874633455 /nfs/dbraw/zinc/63/34/55/874633455.db2.gz FNHQBVVRUDVVGE-UHFFFAOYSA-N 1 1 300.265 1.214 20 5 DDBDMO C[N@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229375063 883949032 /nfs/dbraw/zinc/94/90/32/883949032.db2.gz VREIYJBGCJMSBG-SECBINFHSA-N 1 1 304.306 1.717 20 5 DDBDMO COCCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001231010924 885133076 /nfs/dbraw/zinc/13/30/76/885133076.db2.gz UOJZSLBGEZMTKT-UHFFFAOYSA-N 1 1 309.366 1.569 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC001234910144 888247144 /nfs/dbraw/zinc/24/71/44/888247144.db2.gz MOLWHZHOCWYXPE-NSHDSACASA-N 1 1 323.353 1.513 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001254553569 896499289 /nfs/dbraw/zinc/49/92/89/896499289.db2.gz XNNUYBXZUJOEPM-ZFWWWQNUSA-N 1 1 305.378 1.542 20 5 DDBDMO CC(=O)N1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254606854 896527191 /nfs/dbraw/zinc/52/71/91/896527191.db2.gz IQWMVIYCBAQFNT-ZBEGNZNMSA-N 1 1 303.362 1.615 20 5 DDBDMO CC(=O)N1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254606854 896527197 /nfs/dbraw/zinc/52/71/97/896527197.db2.gz IQWMVIYCBAQFNT-ZBEGNZNMSA-N 1 1 303.362 1.615 20 5 DDBDMO CC[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001263414579 900604948 /nfs/dbraw/zinc/60/49/48/900604948.db2.gz FKEBXLRZUIAVFS-GFCCVEGCSA-N 1 1 310.402 1.241 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC001263681078 900669453 /nfs/dbraw/zinc/66/94/53/900669453.db2.gz XZDCVJKDEGBYDO-UHFFFAOYSA-N 1 1 323.397 1.192 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000248668918 282098052 /nfs/dbraw/zinc/09/80/52/282098052.db2.gz PDMPXYUYXRYKGZ-MNOVXSKESA-N 1 1 309.370 1.223 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816309 231064933 /nfs/dbraw/zinc/06/49/33/231064933.db2.gz ADQQDBQSJZQXCX-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278770459 214388169 /nfs/dbraw/zinc/38/81/69/214388169.db2.gz XVMYURDGSUSPBS-ZDUSSCGKSA-N 1 1 321.377 1.826 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184213 231327983 /nfs/dbraw/zinc/32/79/83/231327983.db2.gz RFGYLYCKLAEGKR-SWLSCSKDSA-N 1 1 318.377 1.162 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000305806502 529984633 /nfs/dbraw/zinc/98/46/33/529984633.db2.gz KCGGJXJDSFVEFN-UKRRQHHQSA-N 1 1 321.377 1.677 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279708062 215079438 /nfs/dbraw/zinc/07/94/38/215079438.db2.gz HRPSJSAVIJIJMO-OCCSQVGLSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358417589 299147783 /nfs/dbraw/zinc/14/77/83/299147783.db2.gz WWHRGKHIDSAFOD-UHFFFAOYSA-N 1 1 306.297 1.598 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000048428790 352539981 /nfs/dbraw/zinc/53/99/81/352539981.db2.gz OHZROAPWCNSCHH-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(N)=O)CC1 ZINC000021847343 352174771 /nfs/dbraw/zinc/17/47/71/352174771.db2.gz IXRVXUICYBKVER-SNVBAGLBSA-N 1 1 320.349 1.119 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000028013114 352225967 /nfs/dbraw/zinc/22/59/67/352225967.db2.gz VKVRQILRABDBTC-CYBMUJFWSA-N 1 1 321.377 1.681 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000041886271 352317416 /nfs/dbraw/zinc/31/74/16/352317416.db2.gz KXTQGDIXDZKNRI-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO CS(=O)(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054146204 352680202 /nfs/dbraw/zinc/68/02/02/352680202.db2.gz GAIVUBUCIZAOOL-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491561348 234204641 /nfs/dbraw/zinc/20/46/41/234204641.db2.gz JRXKHSIFJNDSNL-UJYKQDJBSA-N 1 1 301.346 1.961 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491577355 234207298 /nfs/dbraw/zinc/20/72/98/234207298.db2.gz VRKSHLLSOWRYBQ-DUMNWFOQSA-N 1 1 307.325 1.910 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000064334047 352933717 /nfs/dbraw/zinc/93/37/17/352933717.db2.gz YZGJWVLRKDKTSD-RYUDHWBXSA-N 1 1 305.334 1.188 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173524195 198224026 /nfs/dbraw/zinc/22/40/26/198224026.db2.gz WMBFFISTBZMPNB-GFCCVEGCSA-N 1 1 323.374 1.230 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000174531263 198348192 /nfs/dbraw/zinc/34/81/92/198348192.db2.gz DXTAZCXBYJHLBQ-ZDUSSCGKSA-N 1 1 323.397 1.290 20 5 DDBDMO CNc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000075578238 353368591 /nfs/dbraw/zinc/36/85/91/353368591.db2.gz CSAMOGBXVWTENF-SNVBAGLBSA-N 1 1 306.366 1.849 20 5 DDBDMO C[N@@H+](CCc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075966663 353388621 /nfs/dbraw/zinc/38/86/21/353388621.db2.gz LMBVKDVVQYGIIC-GFCCVEGCSA-N 1 1 310.379 1.388 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000088725772 353757821 /nfs/dbraw/zinc/75/78/21/353757821.db2.gz DJHJPHFXXFFEFR-HNNXBMFYSA-N 1 1 309.366 1.398 20 5 DDBDMO Cc1sc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833072 354222896 /nfs/dbraw/zinc/22/28/96/354222896.db2.gz WIAREDSNPPBDEK-KWQFWETISA-N 1 1 313.379 1.414 20 5 DDBDMO Cc1sc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833072 354222899 /nfs/dbraw/zinc/22/28/99/354222899.db2.gz WIAREDSNPPBDEK-KWQFWETISA-N 1 1 313.379 1.414 20 5 DDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000157514993 354225120 /nfs/dbraw/zinc/22/51/20/354225120.db2.gz GGKZTTCZVMWCFS-RNCFNFMXSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000157514993 354225122 /nfs/dbraw/zinc/22/51/22/354225122.db2.gz GGKZTTCZVMWCFS-RNCFNFMXSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157813593 354226764 /nfs/dbraw/zinc/22/67/64/354226764.db2.gz OLNGSEGAEQVKJF-TVQRCGJNSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157813593 354226767 /nfs/dbraw/zinc/22/67/67/354226767.db2.gz OLNGSEGAEQVKJF-TVQRCGJNSA-N 1 1 311.313 1.183 20 5 DDBDMO NC(=O)N1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255124641 354387548 /nfs/dbraw/zinc/38/75/48/354387548.db2.gz JKQQLPCNERKTFS-UTCJRWHESA-N 1 1 304.350 1.694 20 5 DDBDMO NC(=O)N1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255124641 354387552 /nfs/dbraw/zinc/38/75/52/354387552.db2.gz JKQQLPCNERKTFS-UTCJRWHESA-N 1 1 304.350 1.694 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2ccc([N+](=O)[O-])n2C)[nH+]1 ZINC000346269119 283042309 /nfs/dbraw/zinc/04/23/09/283042309.db2.gz VOGMATLBOXFVOD-UHFFFAOYSA-N 1 1 303.322 1.479 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1ccccc1=O ZINC000586773416 354863686 /nfs/dbraw/zinc/86/36/86/354863686.db2.gz UCFMUNBFYOUJRD-UHFFFAOYSA-N 1 1 301.346 1.931 20 5 DDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000588002840 354892260 /nfs/dbraw/zinc/89/22/60/354892260.db2.gz VKCVGKITFHZQIL-PSASIEDQSA-N 1 1 323.378 1.731 20 5 DDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000588002840 354892266 /nfs/dbraw/zinc/89/22/66/354892266.db2.gz VKCVGKITFHZQIL-PSASIEDQSA-N 1 1 323.378 1.731 20 5 DDBDMO COc1ccc(OCCN2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010310 355038954 /nfs/dbraw/zinc/03/89/54/355038954.db2.gz AUZNHXZRCRARHM-SWLSCSKDSA-N 1 1 321.377 1.618 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590443745 355097431 /nfs/dbraw/zinc/09/74/31/355097431.db2.gz GYHRDEWGBRZYHY-ZWNOBZJWSA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000590445617 355098805 /nfs/dbraw/zinc/09/88/05/355098805.db2.gz QZZRWDQHDMEHRP-CABZTGNLSA-N 1 1 319.317 1.100 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000592332240 355561281 /nfs/dbraw/zinc/56/12/81/355561281.db2.gz IBHYNZFRMRFOPC-VHSXEESVSA-N 1 1 309.370 1.470 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592533591 355618285 /nfs/dbraw/zinc/61/82/85/355618285.db2.gz UMBNYLVHFREOQY-HXINVUTJSA-N 1 1 320.345 1.464 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592533591 355618289 /nfs/dbraw/zinc/61/82/89/355618289.db2.gz UMBNYLVHFREOQY-HXINVUTJSA-N 1 1 320.345 1.464 20 5 DDBDMO CCn1cc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C(C)C)cn1 ZINC000593083069 355790276 /nfs/dbraw/zinc/79/02/76/355790276.db2.gz YNSHOEIAANQNHW-UHFFFAOYSA-N 1 1 306.370 1.918 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593100115 355796549 /nfs/dbraw/zinc/79/65/49/355796549.db2.gz CYJCOOKSANJNCT-MZFXBISCSA-N 1 1 323.374 1.129 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)n1 ZINC000593188912 355820785 /nfs/dbraw/zinc/82/07/85/355820785.db2.gz FGIUHUPMZOOEGL-VWYCJHECSA-N 1 1 309.370 1.364 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)n1 ZINC000593188912 355820787 /nfs/dbraw/zinc/82/07/87/355820787.db2.gz FGIUHUPMZOOEGL-VWYCJHECSA-N 1 1 309.370 1.364 20 5 DDBDMO C[C@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594062998 356104047 /nfs/dbraw/zinc/10/40/47/356104047.db2.gz HNZPJQAWFBHXJY-NSHDSACASA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594062998 356104052 /nfs/dbraw/zinc/10/40/52/356104052.db2.gz HNZPJQAWFBHXJY-NSHDSACASA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064215 356104116 /nfs/dbraw/zinc/10/41/16/356104116.db2.gz LMVISJBGXCYUIC-LLVKDONJSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064215 356104121 /nfs/dbraw/zinc/10/41/21/356104121.db2.gz LMVISJBGXCYUIC-LLVKDONJSA-N 1 1 319.361 1.329 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000595035612 356375290 /nfs/dbraw/zinc/37/52/90/356375290.db2.gz YCYUIZUUDFVXJO-JTQLQIEISA-N 1 1 307.350 1.780 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470276 356506137 /nfs/dbraw/zinc/50/61/37/356506137.db2.gz SWJNAMGGXBDCDT-AWEZNQCLSA-N 1 1 320.393 1.921 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000081527545 192283862 /nfs/dbraw/zinc/28/38/62/192283862.db2.gz TXNAAEADHMYQQJ-QWRGUYRKSA-N 1 1 322.365 1.236 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595550695 356545277 /nfs/dbraw/zinc/54/52/77/356545277.db2.gz RWLRLECXOFFXSK-UHFFFAOYSA-N 1 1 312.370 1.434 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000081556903 192291218 /nfs/dbraw/zinc/29/12/18/192291218.db2.gz CABBOCAVYDNVGV-SNVBAGLBSA-N 1 1 323.349 1.275 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756961 356638548 /nfs/dbraw/zinc/63/85/48/356638548.db2.gz JCBYJSKYENWWON-JRPNMDOOSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756961 356638551 /nfs/dbraw/zinc/63/85/51/356638551.db2.gz JCBYJSKYENWWON-JRPNMDOOSA-N 1 1 305.334 1.379 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595832155 356668757 /nfs/dbraw/zinc/66/87/57/356668757.db2.gz CQCWUBPFLIZVJV-GFCCVEGCSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595832155 356668758 /nfs/dbraw/zinc/66/87/58/356668758.db2.gz CQCWUBPFLIZVJV-GFCCVEGCSA-N 1 1 319.361 1.953 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596058040 356756110 /nfs/dbraw/zinc/75/61/10/356756110.db2.gz BICKTEPHYLVGCW-LLVKDONJSA-N 1 1 310.354 1.464 20 5 DDBDMO Nc1ccc(N2CC[NH+](Cc3ccsc3)CC2)nc1[N+](=O)[O-] ZINC000596067060 356760551 /nfs/dbraw/zinc/76/05/51/356760551.db2.gz JQZARLKBWMLTOB-UHFFFAOYSA-N 1 1 319.390 1.956 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596231110 356825523 /nfs/dbraw/zinc/82/55/23/356825523.db2.gz IPXOQEINOZTXRS-LBPRGKRZSA-N 1 1 306.366 1.980 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596815460 356984059 /nfs/dbraw/zinc/98/40/59/356984059.db2.gz AJTQZUFRAYXIBV-LLVKDONJSA-N 1 1 321.381 1.654 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000597710894 357297509 /nfs/dbraw/zinc/29/75/09/357297509.db2.gz PWZLBWNIGXGYAN-OAHLLOKOSA-N 1 1 321.381 1.369 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000597623878 357260483 /nfs/dbraw/zinc/26/04/83/357260483.db2.gz CXXGIUJKUFBBPN-CYBMUJFWSA-N 1 1 318.377 1.023 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597855528 357358750 /nfs/dbraw/zinc/35/87/50/357358750.db2.gz SFSOITPRPAABKW-LLVKDONJSA-N 1 1 323.397 1.487 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597924830 357384418 /nfs/dbraw/zinc/38/44/18/357384418.db2.gz LERFMYCKFFWOJZ-JTQLQIEISA-N 1 1 324.356 1.919 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600360 357648528 /nfs/dbraw/zinc/64/85/28/357648528.db2.gz AVUSQFCIORDKOK-VHSXEESVSA-N 1 1 320.349 1.814 20 5 DDBDMO CCC[N@H+]1CC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598632778 357662629 /nfs/dbraw/zinc/66/26/29/357662629.db2.gz AVHCHJVHDCCVPJ-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO O=[N+]([O-])c1cccc2c(NCC[N@@H+]3CC[C@@H](O)C3)ccnc21 ZINC000599175508 357840549 /nfs/dbraw/zinc/84/05/49/357840549.db2.gz DJRZHSQNWOPLFW-LLVKDONJSA-N 1 1 302.334 1.622 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000179396624 199028091 /nfs/dbraw/zinc/02/80/91/199028091.db2.gz DRYJELRDPQEQBZ-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CCOC(=O)C[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000599412830 357925420 /nfs/dbraw/zinc/92/54/20/357925420.db2.gz OWWAEGBLIQTIMQ-CYBMUJFWSA-N 1 1 310.350 1.383 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644046 358004006 /nfs/dbraw/zinc/00/40/06/358004006.db2.gz GXVUBBSHEIGVQM-GSJFWJNXSA-N 1 1 320.349 1.119 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600472265 358233481 /nfs/dbraw/zinc/23/34/81/358233481.db2.gz NMEXCWXHZFUUAV-LBPRGKRZSA-N 1 1 318.377 1.924 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(NCCC[NH+]3CCOCC3)c2c1 ZINC000601099114 358402245 /nfs/dbraw/zinc/40/22/45/358402245.db2.gz SZXTULSLOAOYAK-UHFFFAOYSA-N 1 1 316.361 1.699 20 5 DDBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCS1(=O)=O ZINC000601144584 358419015 /nfs/dbraw/zinc/41/90/15/358419015.db2.gz VFJZELDAIYPJRY-SNVBAGLBSA-N 1 1 321.358 1.766 20 5 DDBDMO Cc1cnn(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149164 358422529 /nfs/dbraw/zinc/42/25/29/358422529.db2.gz KBOHWSPANIQUHP-OAHLLOKOSA-N 1 1 304.350 1.634 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601175891 358433792 /nfs/dbraw/zinc/43/37/92/358433792.db2.gz RJFRCSYSFSARAW-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601978649 358763653 /nfs/dbraw/zinc/76/36/53/358763653.db2.gz ZPMJTWCVOOXDPB-LLVKDONJSA-N 1 1 317.292 1.113 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601978649 358763655 /nfs/dbraw/zinc/76/36/55/358763655.db2.gz ZPMJTWCVOOXDPB-LLVKDONJSA-N 1 1 317.292 1.113 20 5 DDBDMO CN(C)C(=O)CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602596715 359061940 /nfs/dbraw/zinc/06/19/40/359061940.db2.gz NONBLLGPQLXYNF-UHFFFAOYSA-N 1 1 309.370 1.019 20 5 DDBDMO CO[C@@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCOC1 ZINC000602689097 359127307 /nfs/dbraw/zinc/12/73/07/359127307.db2.gz QSPULLAVXWQNIN-LRDDRELGSA-N 1 1 322.361 1.709 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000602801075 359201412 /nfs/dbraw/zinc/20/14/12/359201412.db2.gz LFFDODLLVLXTAS-STQMWFEESA-N 1 1 310.398 1.829 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000602830968 359222234 /nfs/dbraw/zinc/22/22/34/359222234.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 1 1 307.398 1.517 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000602957756 359321728 /nfs/dbraw/zinc/32/17/28/359321728.db2.gz PQZMTIJVSZGBKZ-LBPRGKRZSA-N 1 1 321.381 1.526 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602959327 359323002 /nfs/dbraw/zinc/32/30/02/359323002.db2.gz SUJPMPJAUBQYMH-NWDGAFQWSA-N 1 1 321.381 1.667 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(CO)CC1 ZINC000186788048 200010090 /nfs/dbraw/zinc/01/00/90/200010090.db2.gz VEKWPGOFGVSNQW-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(CO)CC1 ZINC000186788048 200010092 /nfs/dbraw/zinc/01/00/92/200010092.db2.gz VEKWPGOFGVSNQW-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@]1(O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189072010 200343968 /nfs/dbraw/zinc/34/39/68/200343968.db2.gz ZOATZZNGEBCZKP-CQSZACIVSA-N 1 1 311.313 1.519 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383096 360302524 /nfs/dbraw/zinc/30/25/24/360302524.db2.gz IZNVBMPHZPZDAV-ZDUSSCGKSA-N 1 1 319.361 1.818 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCCO)C2CC2)c1 ZINC000609848231 360355997 /nfs/dbraw/zinc/35/59/97/360355997.db2.gz MPJGUSOVMNTSKN-CQSZACIVSA-N 1 1 310.350 1.181 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000610476249 360444536 /nfs/dbraw/zinc/44/45/36/360444536.db2.gz ODPPFBUNTHNTLP-GFCCVEGCSA-N 1 1 321.381 1.067 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000610476249 360444542 /nfs/dbraw/zinc/44/45/42/360444542.db2.gz ODPPFBUNTHNTLP-GFCCVEGCSA-N 1 1 321.381 1.067 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000610922099 360572184 /nfs/dbraw/zinc/57/21/84/360572184.db2.gz ANARYLPPRVJBAZ-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088222 360619984 /nfs/dbraw/zinc/61/99/84/360619984.db2.gz KECHXNDXINQTIZ-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000619531885 364050321 /nfs/dbraw/zinc/05/03/21/364050321.db2.gz KGWNAAALAPEXCP-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO O=C(NCC[C@@H]1CC[NH2+]C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262607920 203349636 /nfs/dbraw/zinc/34/96/36/203349636.db2.gz ZRCPIRQUDURCDM-VIFPVBQESA-N 1 1 303.322 1.201 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3=CCCOC3)C2)nc1 ZINC000093534726 193266605 /nfs/dbraw/zinc/26/66/05/193266605.db2.gz YRXHSAWVDPWVEX-ZDUSSCGKSA-N 1 1 304.350 1.823 20 5 DDBDMO CC[NH2+][C@@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000359308057 299407016 /nfs/dbraw/zinc/40/70/16/299407016.db2.gz NWVDDZFROPBYRU-QMMMGPOBSA-N 1 1 305.331 1.010 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000264658927 204059310 /nfs/dbraw/zinc/05/93/10/204059310.db2.gz HTLUXMCQMZXWBQ-UHFFFAOYSA-N 1 1 306.326 1.205 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc([N+](=O)[O-])s2)n1C ZINC000265088847 204389720 /nfs/dbraw/zinc/38/97/20/204389720.db2.gz BZNWFDJZKIYYML-UHFFFAOYSA-N 1 1 309.351 1.386 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739693 209171341 /nfs/dbraw/zinc/17/13/41/209171341.db2.gz WBGYIAIZVOOHLF-GFCCVEGCSA-N 1 1 324.381 1.533 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282495214 217040201 /nfs/dbraw/zinc/04/02/01/217040201.db2.gz MXTIWGWHJQHXDP-LBPRGKRZSA-N 1 1 311.357 1.886 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282496771 217040649 /nfs/dbraw/zinc/04/06/49/217040649.db2.gz NAPSMDDDCFBNAH-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1ccc([N+](=O)[O-])n1 ZINC000282508105 217050292 /nfs/dbraw/zinc/05/02/92/217050292.db2.gz RPXMNJLAYFTRHZ-UHFFFAOYSA-N 1 1 319.321 1.874 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266057621 205063291 /nfs/dbraw/zinc/06/32/91/205063291.db2.gz AFCCMVZUEGIFCK-GFCCVEGCSA-N 1 1 321.381 1.574 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344534 205281691 /nfs/dbraw/zinc/28/16/91/205281691.db2.gz IROOQQWDJBTCCX-VXGBXAGGSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283884239 217797136 /nfs/dbraw/zinc/79/71/36/217797136.db2.gz CFNAEXQJGOIBRD-GFCCVEGCSA-N 1 1 322.409 1.938 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104687149 194026842 /nfs/dbraw/zinc/02/68/42/194026842.db2.gz NNJWAKFPACRTTN-SECBINFHSA-N 1 1 309.322 1.992 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104687152 194026851 /nfs/dbraw/zinc/02/68/51/194026851.db2.gz NNJWAKFPACRTTN-VIFPVBQESA-N 1 1 309.322 1.992 20 5 DDBDMO O=C(CC[N@@H+]1CCOCC12CC2)Nc1ccccc1[N+](=O)[O-] ZINC000338596450 250047688 /nfs/dbraw/zinc/04/76/88/250047688.db2.gz KGAGFVSYWHSIGD-UHFFFAOYSA-N 1 1 305.334 1.788 20 5 DDBDMO O=C(CC[N@H+]1CCOCC12CC2)Nc1ccccc1[N+](=O)[O-] ZINC000338596450 250047690 /nfs/dbraw/zinc/04/76/90/250047690.db2.gz KGAGFVSYWHSIGD-UHFFFAOYSA-N 1 1 305.334 1.788 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285380472 218406817 /nfs/dbraw/zinc/40/68/17/218406817.db2.gz WLXVHSFMWGBZFQ-KGLIPLIRSA-N 1 1 305.334 1.140 20 5 DDBDMO COc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110654045 194346488 /nfs/dbraw/zinc/34/64/88/194346488.db2.gz HNOAWEWQONQIDY-NSHDSACASA-N 1 1 323.349 1.050 20 5 DDBDMO CCc1nn(C)c(NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000341054077 251356908 /nfs/dbraw/zinc/35/69/08/251356908.db2.gz QOQRJJMKPCREOB-UHFFFAOYSA-N 1 1 312.418 1.186 20 5 DDBDMO CCc1nn(C)c(NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000341054077 251356912 /nfs/dbraw/zinc/35/69/12/251356912.db2.gz QOQRJJMKPCREOB-UHFFFAOYSA-N 1 1 312.418 1.186 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414205053 532996863 /nfs/dbraw/zinc/99/68/63/532996863.db2.gz IICZGLNKFQFUDQ-NSHDSACASA-N 1 1 307.350 1.541 20 5 DDBDMO COCC[NH2+]CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326009 285081462 /nfs/dbraw/zinc/08/14/62/285081462.db2.gz IWSCJUDQULLFTD-OLZOCXBDSA-N 1 1 311.386 1.101 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000352657374 285201446 /nfs/dbraw/zinc/20/14/46/285201446.db2.gz ACMSNRVTKOAGIH-UONOGXRCSA-N 1 1 307.350 1.403 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289671717 221144389 /nfs/dbraw/zinc/14/43/89/221144389.db2.gz UVIRLTGVXZBWCR-LLVKDONJSA-N 1 1 315.395 1.602 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000294911109 224304121 /nfs/dbraw/zinc/30/41/21/224304121.db2.gz IFXCLRXCDHJCQJ-JTQLQIEISA-N 1 1 316.383 1.641 20 5 DDBDMO CCn1ccnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568384615 304290054 /nfs/dbraw/zinc/29/00/54/304290054.db2.gz SMWHCTYCJXWNEX-CYBMUJFWSA-N 1 1 320.349 1.341 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnccn3)C2)nc1 ZINC000568723180 304307476 /nfs/dbraw/zinc/30/74/76/304307476.db2.gz NXMVFZKXWUXZBY-LLVKDONJSA-N 1 1 300.322 1.466 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnccn3)C2)nc1 ZINC000568723180 304307477 /nfs/dbraw/zinc/30/74/77/304307477.db2.gz NXMVFZKXWUXZBY-LLVKDONJSA-N 1 1 300.322 1.466 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1 ZINC000127153028 286381610 /nfs/dbraw/zinc/38/16/10/286381610.db2.gz SHAPRFFPQXLGMI-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c1 ZINC000127153028 286381612 /nfs/dbraw/zinc/38/16/12/286381612.db2.gz SHAPRFFPQXLGMI-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000012141583 406835573 /nfs/dbraw/zinc/83/55/73/406835573.db2.gz BXLBHAAOBCTDIL-UHFFFAOYSA-N 1 1 313.379 1.277 20 5 DDBDMO CC[N@H+](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000089420721 407133505 /nfs/dbraw/zinc/13/35/05/407133505.db2.gz FRBACXVXZJLOHB-UHFFFAOYSA-N 1 1 303.322 1.894 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000089420721 407133507 /nfs/dbraw/zinc/13/35/07/407133507.db2.gz FRBACXVXZJLOHB-UHFFFAOYSA-N 1 1 303.322 1.894 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1C ZINC000054371042 407184096 /nfs/dbraw/zinc/18/40/96/407184096.db2.gz SZVGLQHGXZIALG-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000123821918 407339561 /nfs/dbraw/zinc/33/95/61/407339561.db2.gz OXQASRQCAZNFQS-GFCCVEGCSA-N 1 1 317.349 1.340 20 5 DDBDMO C[C@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000123821918 407339562 /nfs/dbraw/zinc/33/95/62/407339562.db2.gz OXQASRQCAZNFQS-GFCCVEGCSA-N 1 1 317.349 1.340 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000124139031 407349552 /nfs/dbraw/zinc/34/95/52/407349552.db2.gz KRJWTAFBIUUUJA-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000124139031 407349553 /nfs/dbraw/zinc/34/95/53/407349553.db2.gz KRJWTAFBIUUUJA-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@]1(O)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000124138852 407349603 /nfs/dbraw/zinc/34/96/03/407349603.db2.gz KRJWTAFBIUUUJA-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000124138852 407349605 /nfs/dbraw/zinc/34/96/05/407349605.db2.gz KRJWTAFBIUUUJA-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104747483 407351793 /nfs/dbraw/zinc/35/17/93/407351793.db2.gz SZGLRKYDHLVHDU-LLVKDONJSA-N 1 1 313.379 1.167 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124657097 407365752 /nfs/dbraw/zinc/36/57/52/407365752.db2.gz QQFZDHFRQCDQDG-NSHDSACASA-N 1 1 307.354 1.795 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000108341542 407384877 /nfs/dbraw/zinc/38/48/77/407384877.db2.gz GJQQWLLMPAUIDF-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108406005 407385773 /nfs/dbraw/zinc/38/57/73/407385773.db2.gz VKVPKPDLTCPHOU-SECBINFHSA-N 1 1 319.408 1.276 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000111267858 407404310 /nfs/dbraw/zinc/40/43/10/407404310.db2.gz JSHPOGOMCWTHSP-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCn1cccn1 ZINC000111283340 407406316 /nfs/dbraw/zinc/40/63/16/407406316.db2.gz IQVSQHUFMPZHEC-GFCCVEGCSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCn1cccn1 ZINC000111283340 407406317 /nfs/dbraw/zinc/40/63/17/407406317.db2.gz IQVSQHUFMPZHEC-GFCCVEGCSA-N 1 1 317.349 1.750 20 5 DDBDMO COc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000271038722 407482201 /nfs/dbraw/zinc/48/22/01/407482201.db2.gz MJLVXMNXHDERHN-NSHDSACASA-N 1 1 324.381 1.270 20 5 DDBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063463 407493112 /nfs/dbraw/zinc/49/31/12/407493112.db2.gz TUTUCRVLOMYTLN-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063463 407493118 /nfs/dbraw/zinc/49/31/18/407493118.db2.gz TUTUCRVLOMYTLN-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271063463 407493124 /nfs/dbraw/zinc/49/31/24/407493124.db2.gz TUTUCRVLOMYTLN-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1CCOC ZINC000114709541 407602230 /nfs/dbraw/zinc/60/22/30/407602230.db2.gz DWLIASOEEWXZNS-LBPRGKRZSA-N 1 1 311.386 1.184 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191978 407774021 /nfs/dbraw/zinc/77/40/21/407774021.db2.gz WWPGNGLGERCYGL-ZWNOBZJWSA-N 1 1 307.350 1.429 20 5 DDBDMO C[N@@H+](CC(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000132713377 407800312 /nfs/dbraw/zinc/80/03/12/407800312.db2.gz OMXMFSFETZVKET-CQSZACIVSA-N 1 1 323.418 1.691 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272408076 407906565 /nfs/dbraw/zinc/90/65/65/407906565.db2.gz KVIWHHHEFIZSBQ-UHFFFAOYSA-N 1 1 318.289 1.258 20 5 DDBDMO CCCNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866547 407959537 /nfs/dbraw/zinc/95/95/37/407959537.db2.gz PWUCKKXBDFVMKJ-NSHDSACASA-N 1 1 307.354 1.002 20 5 DDBDMO CCCNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866547 407959543 /nfs/dbraw/zinc/95/95/43/407959543.db2.gz PWUCKKXBDFVMKJ-NSHDSACASA-N 1 1 307.354 1.002 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268267073 407980441 /nfs/dbraw/zinc/98/04/41/407980441.db2.gz VYHAHPSRJSOCGV-UHFFFAOYSA-N 1 1 314.773 1.999 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276225 407982021 /nfs/dbraw/zinc/98/20/21/407982021.db2.gz WGHODFVLYIRGOD-NHYWBVRUSA-N 1 1 303.362 1.736 20 5 DDBDMO CS[C@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000134616602 407917632 /nfs/dbraw/zinc/91/76/32/407917632.db2.gz OZUOWPPISNWEDN-STQMWFEESA-N 1 1 314.411 1.370 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181663503 408024704 /nfs/dbraw/zinc/02/47/04/408024704.db2.gz NLAFWVDQLQAKAA-JTQLQIEISA-N 1 1 321.333 1.395 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000182227612 408098669 /nfs/dbraw/zinc/09/86/69/408098669.db2.gz ZDUIWRIHDVMCGY-CYBMUJFWSA-N 1 1 320.349 1.200 20 5 DDBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000189876854 408126445 /nfs/dbraw/zinc/12/64/45/408126445.db2.gz IFWHNSMIVFVGIJ-ZDUSSCGKSA-N 1 1 307.394 1.872 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000190419971 408238929 /nfs/dbraw/zinc/23/89/29/408238929.db2.gz DCRGXLTXMQCLSY-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc([C@@H](CO)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176243423 408321808 /nfs/dbraw/zinc/32/18/08/408321808.db2.gz DTEQQFHKMMYYSI-CQSZACIVSA-N 1 1 320.349 1.465 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708972 162085179 /nfs/dbraw/zinc/08/51/79/162085179.db2.gz IZMWMRJFHTVUOP-CYBMUJFWSA-N 1 1 307.398 1.740 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000264163979 408387597 /nfs/dbraw/zinc/38/75/97/408387597.db2.gz YVPIOWVWAXDQPV-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247225090 408433587 /nfs/dbraw/zinc/43/35/87/408433587.db2.gz VXMYHPBLYAPWAB-ZYHUDNBSSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247225090 408433592 /nfs/dbraw/zinc/43/35/92/408433592.db2.gz VXMYHPBLYAPWAB-ZYHUDNBSSA-N 1 1 313.379 1.279 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000177006782 408495107 /nfs/dbraw/zinc/49/51/07/408495107.db2.gz ZJLWCNGZJSSHQY-WDEREUQCSA-N 1 1 304.350 1.486 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177133907 408530271 /nfs/dbraw/zinc/53/02/71/408530271.db2.gz FNIMYLZJIQDGDJ-NWDGAFQWSA-N 1 1 319.361 1.715 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000191717731 408474603 /nfs/dbraw/zinc/47/46/03/408474603.db2.gz GSPZUXBMSUZBRT-UHFFFAOYSA-N 1 1 308.338 1.039 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161400894 408596322 /nfs/dbraw/zinc/59/63/22/408596322.db2.gz BPZHPKOFDGUVHB-DOMZBBRYSA-N 1 1 305.378 1.982 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177154598 408536480 /nfs/dbraw/zinc/53/64/80/408536480.db2.gz XZBJJXOBUOCYFP-GXSJLCMTSA-N 1 1 304.350 1.532 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000274802680 408538806 /nfs/dbraw/zinc/53/88/06/408538806.db2.gz KVKVASOYUOJXAR-CYBMUJFWSA-N 1 1 322.365 1.745 20 5 DDBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@H](C)C1 ZINC000162085752 408669419 /nfs/dbraw/zinc/66/94/19/408669419.db2.gz DGUGWEBIWSYPPM-QWRGUYRKSA-N 1 1 309.370 1.179 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270848151 408707093 /nfs/dbraw/zinc/70/70/93/408707093.db2.gz GGODDCBHAVZKGY-LALPHHSUSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270848151 408707101 /nfs/dbraw/zinc/70/71/01/408707101.db2.gz GGODDCBHAVZKGY-LALPHHSUSA-N 1 1 321.377 1.933 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249550063 408740473 /nfs/dbraw/zinc/74/04/73/408740473.db2.gz HPDTXANIZJCYTP-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCO)C2CCC2)c1 ZINC000275801256 408683106 /nfs/dbraw/zinc/68/31/06/408683106.db2.gz GFYKAQXAXLMCLJ-AWEZNQCLSA-N 1 1 310.350 1.181 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265539314 408686906 /nfs/dbraw/zinc/68/69/06/408686906.db2.gz ONOHXILRDFYWHE-SECBINFHSA-N 1 1 300.746 1.776 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265539314 408686911 /nfs/dbraw/zinc/68/69/11/408686911.db2.gz ONOHXILRDFYWHE-SECBINFHSA-N 1 1 300.746 1.776 20 5 DDBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000194856067 408800961 /nfs/dbraw/zinc/80/09/61/408800961.db2.gz CTYSKZMVCOZWDY-HNNXBMFYSA-N 1 1 324.381 1.703 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185215760 408781224 /nfs/dbraw/zinc/78/12/24/408781224.db2.gz UYTKYHJSMOFMBR-SNVBAGLBSA-N 1 1 307.354 1.128 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286072305 408918238 /nfs/dbraw/zinc/91/82/38/408918238.db2.gz VHIPUAMACQNBNY-GFCCVEGCSA-N 1 1 321.381 1.845 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192487129 163225758 /nfs/dbraw/zinc/22/57/58/163225758.db2.gz QLYIJVWOAOMSGY-PHIMTYICSA-N 1 1 305.334 1.237 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000286253069 408949837 /nfs/dbraw/zinc/94/98/37/408949837.db2.gz IVIYAXOHVIJSHQ-CMPLNLGQSA-N 1 1 320.349 1.815 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000277567932 408966188 /nfs/dbraw/zinc/96/61/88/408966188.db2.gz KWUKJXAVIGEOEJ-GHMZBOCLSA-N 1 1 319.361 1.958 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CO)cn1 ZINC000277795428 409012573 /nfs/dbraw/zinc/01/25/73/409012573.db2.gz OXEMMTOYRLKHDZ-HOCLYGCPSA-N 1 1 316.361 1.536 20 5 DDBDMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336549 409026587 /nfs/dbraw/zinc/02/65/87/409026587.db2.gz BCPJIDISWIIAHN-LSDHHAIUSA-N 1 1 309.341 1.952 20 5 DDBDMO C[N@@H+](CCCOC(=O)NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282383962 409045452 /nfs/dbraw/zinc/04/54/52/409045452.db2.gz GEYRYGFGOYMGMS-UHFFFAOYSA-N 1 1 324.337 1.264 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000283456457 409160070 /nfs/dbraw/zinc/16/00/70/409160070.db2.gz LHYHJXPHZJOFTG-VIFPVBQESA-N 1 1 322.340 1.530 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721293 409424993 /nfs/dbraw/zinc/42/49/93/409424993.db2.gz IAYJDADTFAWPQV-ZFWWWQNUSA-N 1 1 307.350 1.086 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432672 409624281 /nfs/dbraw/zinc/62/42/81/409624281.db2.gz PMDHQMOOWZFLDO-RISCZKNCSA-N 1 1 305.334 1.014 20 5 DDBDMO O=C1[C@@H]([N@H+]2CC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432672 409624289 /nfs/dbraw/zinc/62/42/89/409624289.db2.gz PMDHQMOOWZFLDO-RISCZKNCSA-N 1 1 305.334 1.014 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342437223 409628703 /nfs/dbraw/zinc/62/87/03/409628703.db2.gz OBCHWSIXNNKURJ-PRHODGIISA-N 1 1 302.327 1.257 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533976 409611102 /nfs/dbraw/zinc/61/11/02/409611102.db2.gz POWVGFFLXBATOO-RNCFNFMXSA-N 1 1 307.325 1.946 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000356825726 409641061 /nfs/dbraw/zinc/64/10/61/409641061.db2.gz VKLAKELKKOXWLV-LBPRGKRZSA-N 1 1 309.366 1.819 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858126 409670470 /nfs/dbraw/zinc/67/04/70/409670470.db2.gz UALMXNIVYYVRTN-UONOGXRCSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858126 409670481 /nfs/dbraw/zinc/67/04/81/409670481.db2.gz UALMXNIVYYVRTN-UONOGXRCSA-N 1 1 323.349 1.401 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038011 409810476 /nfs/dbraw/zinc/81/04/76/409810476.db2.gz MXMJGVPQAQTVDH-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354479353 409882984 /nfs/dbraw/zinc/88/29/84/409882984.db2.gz NQKIWLYTLJJYEW-LLVKDONJSA-N 1 1 304.350 1.486 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332238811 410005017 /nfs/dbraw/zinc/00/50/17/410005017.db2.gz UEXCPKNCNOOZAN-NWDGAFQWSA-N 1 1 321.377 1.986 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687671 410083378 /nfs/dbraw/zinc/08/33/78/410083378.db2.gz MIAQHRZRLVQGLS-ZOWXZIJZSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687671 410083387 /nfs/dbraw/zinc/08/33/87/410083387.db2.gz MIAQHRZRLVQGLS-ZOWXZIJZSA-N 1 1 319.361 1.689 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000332683011 410208235 /nfs/dbraw/zinc/20/82/35/410208235.db2.gz KCXWUEQKTVRBGN-LLVKDONJSA-N 1 1 309.370 1.132 20 5 DDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000298755314 410382779 /nfs/dbraw/zinc/38/27/79/410382779.db2.gz YACISCNPJBTAGD-MNOVXSKESA-N 1 1 321.381 1.621 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000299121869 410533323 /nfs/dbraw/zinc/53/33/23/410533323.db2.gz VCXYSSMMDPPWCK-GFCCVEGCSA-N 1 1 323.397 1.418 20 5 DDBDMO COc1c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355639643 410620584 /nfs/dbraw/zinc/62/05/84/410620584.db2.gz ZGEHRGSFXXCANR-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000340098174 410675440 /nfs/dbraw/zinc/67/54/40/410675440.db2.gz VVPHIMVYLITDJU-OCCSQVGLSA-N 1 1 320.393 1.919 20 5 DDBDMO COc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301406053 410714767 /nfs/dbraw/zinc/71/47/67/410714767.db2.gz UQAVZHSXEQHLTD-ZDUSSCGKSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301406053 410714775 /nfs/dbraw/zinc/71/47/75/410714775.db2.gz UQAVZHSXEQHLTD-ZDUSSCGKSA-N 1 1 307.350 1.879 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126544 410965189 /nfs/dbraw/zinc/96/51/89/410965189.db2.gz HTGIQLWNOLWQDX-LBPRGKRZSA-N 1 1 323.397 1.683 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126544 410965192 /nfs/dbraw/zinc/96/51/92/410965192.db2.gz HTGIQLWNOLWQDX-LBPRGKRZSA-N 1 1 323.397 1.683 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126544 410965195 /nfs/dbraw/zinc/96/51/95/410965195.db2.gz HTGIQLWNOLWQDX-LBPRGKRZSA-N 1 1 323.397 1.683 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189892 411006230 /nfs/dbraw/zinc/00/62/30/411006230.db2.gz ZTTJHIQPUJUPRU-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189892 411006245 /nfs/dbraw/zinc/00/62/45/411006245.db2.gz ZTTJHIQPUJUPRU-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189892 411006251 /nfs/dbraw/zinc/00/62/51/411006251.db2.gz ZTTJHIQPUJUPRU-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(O)CCC1 ZINC000353484549 411021501 /nfs/dbraw/zinc/02/15/01/411021501.db2.gz QPVRBGQVLLGUAT-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356448572 411035980 /nfs/dbraw/zinc/03/59/80/411035980.db2.gz RVVFLJZOBNDURV-NSHDSACASA-N 1 1 323.397 1.569 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305452868 533680607 /nfs/dbraw/zinc/68/06/07/533680607.db2.gz RZSRBBZBFMRICC-DOMZBBRYSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305452868 533680610 /nfs/dbraw/zinc/68/06/10/533680610.db2.gz RZSRBBZBFMRICC-DOMZBBRYSA-N 1 1 321.377 1.650 20 5 DDBDMO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600311704 416617960 /nfs/dbraw/zinc/61/79/60/416617960.db2.gz CEDWRHYLTIJWEK-NSHDSACASA-N 1 1 321.381 1.493 20 5 DDBDMO COc1cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419344560 226125483 /nfs/dbraw/zinc/12/54/83/226125483.db2.gz SAOSHEOHHYWYNH-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366295037 418452893 /nfs/dbraw/zinc/45/28/93/418452893.db2.gz PTQVWUVAGRYZJA-RISCZKNCSA-N 1 1 304.350 1.546 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374139252 418494007 /nfs/dbraw/zinc/49/40/07/418494007.db2.gz ABKDLWAHKNDYTF-YPMHNXCESA-N 1 1 306.322 1.235 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000366597763 418494922 /nfs/dbraw/zinc/49/49/22/418494922.db2.gz VDYMIOUNMVACLX-AWEZNQCLSA-N 1 1 310.354 1.061 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000360872535 418537609 /nfs/dbraw/zinc/53/76/09/418537609.db2.gz ODPISLRYXPUYCK-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000360872535 418537610 /nfs/dbraw/zinc/53/76/10/418537610.db2.gz ODPISLRYXPUYCK-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000368063184 418682544 /nfs/dbraw/zinc/68/25/44/418682544.db2.gz MLSLBHXJOMLPQM-STQMWFEESA-N 1 1 319.361 1.561 20 5 DDBDMO Nc1cc2c(nn1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375786671 418685800 /nfs/dbraw/zinc/68/58/00/418685800.db2.gz FMNYAYWNXZTLBJ-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO Nc1cc2c(nn1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000375786671 418685803 /nfs/dbraw/zinc/68/58/03/418685803.db2.gz FMNYAYWNXZTLBJ-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000368134957 418693870 /nfs/dbraw/zinc/69/38/70/418693870.db2.gz NRKSZIISJLEGLB-SNVBAGLBSA-N 1 1 323.349 1.309 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000361740257 418704183 /nfs/dbraw/zinc/70/41/83/418704183.db2.gz HBMUBVIUEBNYPZ-GFCCVEGCSA-N 1 1 300.336 1.468 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232284 418770705 /nfs/dbraw/zinc/77/07/05/418770705.db2.gz ROBIQQXDXUMAES-QWHCGFSZSA-N 1 1 319.361 1.892 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000427324490 419638490 /nfs/dbraw/zinc/63/84/90/419638490.db2.gz MWISOVJMMYOAGZ-MNOVXSKESA-N 1 1 307.354 1.168 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000421878607 419754781 /nfs/dbraw/zinc/75/47/81/419754781.db2.gz VPXCYXKCXKNFCY-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000421878607 419754789 /nfs/dbraw/zinc/75/47/89/419754789.db2.gz VPXCYXKCXKNFCY-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO C[NH2+]C[C@@H](C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414844967 419836263 /nfs/dbraw/zinc/83/62/63/419836263.db2.gz RZNNYFGZLKXWMH-GFCCVEGCSA-N 1 1 317.393 1.940 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000432249306 229090348 /nfs/dbraw/zinc/09/03/48/229090348.db2.gz CUTUUKFJVVFKQQ-QWHCGFSZSA-N 1 1 321.377 1.833 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299470091 229136891 /nfs/dbraw/zinc/13/68/91/229136891.db2.gz BHEQUHMMTZGVCE-OLZOCXBDSA-N 1 1 321.381 1.233 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027300 419964192 /nfs/dbraw/zinc/96/41/92/419964192.db2.gz DRMGBCUDPQHEQX-RDBSUJKOSA-N 1 1 307.398 1.453 20 5 DDBDMO CSC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295840 419999106 /nfs/dbraw/zinc/99/91/06/419999106.db2.gz BGXDXQPPLUGMSP-AAEUAGOBSA-N 1 1 314.411 1.227 20 5 DDBDMO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550558 420079567 /nfs/dbraw/zinc/07/95/67/420079567.db2.gz FQCURCUGPJNMRL-WCQYABFASA-N 1 1 309.366 1.633 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CSC[NH2+]1 ZINC000423854803 420228803 /nfs/dbraw/zinc/22/88/03/420228803.db2.gz VZHSLNOCVHATPY-SNVBAGLBSA-N 1 1 301.755 1.527 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000433847085 420255228 /nfs/dbraw/zinc/25/52/28/420255228.db2.gz CMMMJRVOHNNBAT-GHMZBOCLSA-N 1 1 321.381 1.798 20 5 DDBDMO CC[C@H]([NH2+]CCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000420393952 420260413 /nfs/dbraw/zinc/26/04/13/420260413.db2.gz CFCOYKMFYXEVST-HNNXBMFYSA-N 1 1 320.393 1.457 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC(F)(F)C[NH3+])c1 ZINC000420429145 420279686 /nfs/dbraw/zinc/27/96/86/420279686.db2.gz TWXXIFYYOUPOEZ-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000457091918 420607963 /nfs/dbraw/zinc/60/79/63/420607963.db2.gz NCESVUBDLGOOMX-LBPRGKRZSA-N 1 1 307.350 1.855 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000457091918 420607965 /nfs/dbraw/zinc/60/79/65/420607965.db2.gz NCESVUBDLGOOMX-LBPRGKRZSA-N 1 1 307.350 1.855 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000450958712 420571417 /nfs/dbraw/zinc/57/14/17/420571417.db2.gz WOBSRJXFFUXILI-VIFPVBQESA-N 1 1 300.746 1.146 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000450958712 420571421 /nfs/dbraw/zinc/57/14/21/420571421.db2.gz WOBSRJXFFUXILI-VIFPVBQESA-N 1 1 300.746 1.146 20 5 DDBDMO CC(C)c1ncc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000440464230 420578938 /nfs/dbraw/zinc/57/89/38/420578938.db2.gz QNUJHSDDQUNLCG-UHFFFAOYSA-N 1 1 304.354 1.837 20 5 DDBDMO CC(C)c1ncc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000440464230 420578942 /nfs/dbraw/zinc/57/89/42/420578942.db2.gz QNUJHSDDQUNLCG-UHFFFAOYSA-N 1 1 304.354 1.837 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000492724684 420642772 /nfs/dbraw/zinc/64/27/72/420642772.db2.gz ZUZLXQKUEMCSLT-LLPBQKLSSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000492724684 420642776 /nfs/dbraw/zinc/64/27/76/420642776.db2.gz ZUZLXQKUEMCSLT-LLPBQKLSSA-N 1 1 319.361 1.133 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452781828 420659717 /nfs/dbraw/zinc/65/97/17/420659717.db2.gz ISQXBOGSYLMJOX-HNNXBMFYSA-N 1 1 321.377 1.100 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000443712890 420753787 /nfs/dbraw/zinc/75/37/87/420753787.db2.gz XJYOUMTZYMSTRM-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493153065 420771185 /nfs/dbraw/zinc/77/11/85/420771185.db2.gz BFQBXIWOCWCFPM-GQCTYLIASA-N 1 1 307.325 1.956 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000454747711 420918920 /nfs/dbraw/zinc/91/89/20/420918920.db2.gz CAXAUMQMJWENAA-PWSUYJOCSA-N 1 1 319.365 1.388 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456019966 421090157 /nfs/dbraw/zinc/09/01/57/421090157.db2.gz IOKUWNFUAOTOEZ-JOYOIKCWSA-N 1 1 319.365 1.244 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357853 421084734 /nfs/dbraw/zinc/08/47/34/421084734.db2.gz QFCSTNSJFLIXKU-WFASDCNBSA-N 1 1 305.378 1.793 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000456343864 421146325 /nfs/dbraw/zinc/14/63/25/421146325.db2.gz GTTOMRXRMQFSBP-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521839203 421801296 /nfs/dbraw/zinc/80/12/96/421801296.db2.gz QMIIWNPEQWXBOE-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521839203 421801301 /nfs/dbraw/zinc/80/13/01/421801301.db2.gz QMIIWNPEQWXBOE-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO CCn1ncnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574565845 422132224 /nfs/dbraw/zinc/13/22/24/422132224.db2.gz FEJVBWTUGHCIEN-UHFFFAOYSA-N 1 1 318.337 1.325 20 5 DDBDMO CCCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000594373841 422347529 /nfs/dbraw/zinc/34/75/29/422347529.db2.gz INSAVPVLOLSJBK-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762471 422323326 /nfs/dbraw/zinc/32/33/26/422323326.db2.gz ZPFWRVHBWHLIPB-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000341717923 271185396 /nfs/dbraw/zinc/18/53/96/271185396.db2.gz YHYYTXDXFNHWEJ-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000341934866 271251375 /nfs/dbraw/zinc/25/13/75/271251375.db2.gz YCWAQMNBLZTNBF-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345995706 272385387 /nfs/dbraw/zinc/38/53/87/272385387.db2.gz UKJCQTJZEKFKLP-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408404820 277124248 /nfs/dbraw/zinc/12/42/48/277124248.db2.gz JWRRITFUDABSQC-ZIAGYGMSSA-N 1 1 304.350 1.082 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000276184954 278394353 /nfs/dbraw/zinc/39/43/53/278394353.db2.gz KUUOSNRVLYCABC-NXEZZACHSA-N 1 1 302.758 1.812 20 5 DDBDMO Cc1oncc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129081340 281331069 /nfs/dbraw/zinc/33/10/69/281331069.db2.gz RPQNKHORYFZPFY-GFCCVEGCSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1oncc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129081340 281331070 /nfs/dbraw/zinc/33/10/70/281331070.db2.gz RPQNKHORYFZPFY-GFCCVEGCSA-N 1 1 303.322 1.973 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285012776 290088345 /nfs/dbraw/zinc/08/83/45/290088345.db2.gz MKUFLZVNNGCLAT-NWDGAFQWSA-N 1 1 312.757 1.553 20 5 DDBDMO COc1cccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194771724 295287615 /nfs/dbraw/zinc/28/76/15/295287615.db2.gz ALINHKKVEDEFLC-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143934 300219401 /nfs/dbraw/zinc/21/94/01/300219401.db2.gz OBEHSWREMNLQJW-MNOVXSKESA-N 1 1 311.363 1.249 20 5 DDBDMO CCOC(=O)[C@H](CC)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670544 301209273 /nfs/dbraw/zinc/20/92/73/301209273.db2.gz NTMBRNUCSOTJOL-LBPRGKRZSA-N 1 1 310.354 1.770 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263413 301304556 /nfs/dbraw/zinc/30/45/56/301304556.db2.gz XOXPIIFZKQIUQI-PWSUYJOCSA-N 1 1 320.349 1.170 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263414 301304882 /nfs/dbraw/zinc/30/48/82/301304882.db2.gz XOXPIIFZKQIUQI-ZYHUDNBSSA-N 1 1 320.349 1.170 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468634 302181964 /nfs/dbraw/zinc/18/19/64/302181964.db2.gz CIDNPQDIYJATOW-ZIAGYGMSSA-N 1 1 305.334 1.188 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530963068 303222663 /nfs/dbraw/zinc/22/26/63/303222663.db2.gz BJBIZILWCHPDFY-ZFWWWQNUSA-N 1 1 317.349 1.384 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000532873517 303300339 /nfs/dbraw/zinc/30/03/39/303300339.db2.gz PCRBDDJMHNKITI-WCQYABFASA-N 1 1 306.366 1.490 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367075221 307084734 /nfs/dbraw/zinc/08/47/34/307084734.db2.gz SZKFUXDBSCDRJF-OAHLLOKOSA-N 1 1 307.350 1.259 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+]4CCC[C@@H]4C3)nn21 ZINC000367303906 307091451 /nfs/dbraw/zinc/09/14/51/307091451.db2.gz ZKKIDGQLFXTFDD-LLVKDONJSA-N 1 1 302.338 1.312 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000570118846 308159768 /nfs/dbraw/zinc/15/97/68/308159768.db2.gz YWHNPMKLKOUCEF-ZFWWWQNUSA-N 1 1 317.349 1.037 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[N@@H+]3CCOC[C@H]3C1)CCCC2 ZINC000572116228 308211914 /nfs/dbraw/zinc/21/19/14/308211914.db2.gz PJKPUYGVWIPGIN-CYBMUJFWSA-N 1 1 318.377 1.389 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[N@H+]3CCOC[C@H]3C1)CCCC2 ZINC000572116228 308211916 /nfs/dbraw/zinc/21/19/16/308211916.db2.gz PJKPUYGVWIPGIN-CYBMUJFWSA-N 1 1 318.377 1.389 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000584649406 337380493 /nfs/dbraw/zinc/38/04/93/337380493.db2.gz INEGSBQGXVAGSR-NEPJUHHUSA-N 1 1 309.370 1.029 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372370478 483932599 /nfs/dbraw/zinc/93/25/99/483932599.db2.gz UBSAKUIZRVSRHK-UONOGXRCSA-N 1 1 303.322 1.167 20 5 DDBDMO C[C@@H]1[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000444688245 534249948 /nfs/dbraw/zinc/24/99/48/534249948.db2.gz IXNNWQYUAJKGKC-MNOVXSKESA-N 1 1 303.366 1.996 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451900814 534480954 /nfs/dbraw/zinc/48/09/54/534480954.db2.gz MGBFDXBGVUIBOV-INIZCTEOSA-N 1 1 319.361 1.696 20 5 DDBDMO Cc1nc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297616124 534489364 /nfs/dbraw/zinc/48/93/64/534489364.db2.gz VZNVLUZVPQHFFN-TXEJJXNPSA-N 1 1 323.397 1.995 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451946885 527786461 /nfs/dbraw/zinc/78/64/61/527786461.db2.gz NJCZRWCTJYVQNR-CHWSQXEVSA-N 1 1 306.322 1.365 20 5 DDBDMO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000302077701 528329968 /nfs/dbraw/zinc/32/99/68/528329968.db2.gz ANLCTQABXVHZMG-LBPRGKRZSA-N 1 1 309.370 1.544 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000746001443 700002205 /nfs/dbraw/zinc/00/22/05/700002205.db2.gz FQEUAKVMIAODCJ-LLVKDONJSA-N 1 1 318.377 1.945 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000746001443 700002208 /nfs/dbraw/zinc/00/22/08/700002208.db2.gz FQEUAKVMIAODCJ-LLVKDONJSA-N 1 1 318.377 1.945 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072501211 696394124 /nfs/dbraw/zinc/39/41/24/696394124.db2.gz FCFGLPDCEZTAIE-ZDUSSCGKSA-N 1 1 320.393 1.875 20 5 DDBDMO Cc1ncc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985433233 697510598 /nfs/dbraw/zinc/51/05/98/697510598.db2.gz JPUFURRSELCJTG-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1ncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000985433233 697510600 /nfs/dbraw/zinc/51/06/00/697510600.db2.gz JPUFURRSELCJTG-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1ncc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000985433233 697510602 /nfs/dbraw/zinc/51/06/02/697510602.db2.gz JPUFURRSELCJTG-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749953227 700194497 /nfs/dbraw/zinc/19/44/97/700194497.db2.gz CJFAQWQAHJMRJY-LBPRGKRZSA-N 1 1 319.365 1.964 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582443 698121603 /nfs/dbraw/zinc/12/16/03/698121603.db2.gz QOYVJOBTSZLIDS-JSGCOSHPSA-N 1 1 307.350 1.086 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676954 699237821 /nfs/dbraw/zinc/23/78/21/699237821.db2.gz BLUNENGNZDEQNR-GXFFZTMASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676954 699237824 /nfs/dbraw/zinc/23/78/24/699237824.db2.gz BLUNENGNZDEQNR-GXFFZTMASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761074703 700839551 /nfs/dbraw/zinc/83/95/51/700839551.db2.gz FDRSQCOXOXFEPJ-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000761074703 700839554 /nfs/dbraw/zinc/83/95/54/700839554.db2.gz FDRSQCOXOXFEPJ-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000761074703 700839557 /nfs/dbraw/zinc/83/95/57/700839557.db2.gz FDRSQCOXOXFEPJ-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCCO)CC1 ZINC000804501841 701196455 /nfs/dbraw/zinc/19/64/55/701196455.db2.gz FMTNSBFQFWDSEO-UHFFFAOYSA-N 1 1 321.377 1.692 20 5 DDBDMO CNc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000771857141 701334426 /nfs/dbraw/zinc/33/44/26/701334426.db2.gz YIOXTXJKATWQMD-UHFFFAOYSA-N 1 1 304.306 1.998 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(C)n1 ZINC000806166994 701428414 /nfs/dbraw/zinc/42/84/14/701428414.db2.gz FTPQVNRXFSHGIH-SNVBAGLBSA-N 1 1 318.337 1.230 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839671027 701776100 /nfs/dbraw/zinc/77/61/00/701776100.db2.gz XXRQWNAXSOWXOL-UKRRQHHQSA-N 1 1 321.377 1.617 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879245408 706627600 /nfs/dbraw/zinc/62/76/00/706627600.db2.gz XLWALMHTLCZDBB-CVEARBPZSA-N 1 1 316.361 1.989 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206651 706648381 /nfs/dbraw/zinc/64/83/81/706648381.db2.gz FDJOIRCKPAVCPR-ZYHUDNBSSA-N 1 1 320.349 1.307 20 5 DDBDMO CO[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320868 706648781 /nfs/dbraw/zinc/64/87/81/706648781.db2.gz JSHBEQYEORECAY-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817371916 702359316 /nfs/dbraw/zinc/35/93/16/702359316.db2.gz FNIXVRPDFFUDAJ-AWEZNQCLSA-N 1 1 303.366 1.928 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C1CC1 ZINC000844761504 703070311 /nfs/dbraw/zinc/07/03/11/703070311.db2.gz KWOVKQHGMFHALF-QWHCGFSZSA-N 1 1 322.365 1.497 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C1CC1 ZINC000844761504 703070314 /nfs/dbraw/zinc/07/03/14/703070314.db2.gz KWOVKQHGMFHALF-QWHCGFSZSA-N 1 1 322.365 1.497 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845721301 703193572 /nfs/dbraw/zinc/19/35/72/703193572.db2.gz RLRGJZSPCLWBQN-SECBINFHSA-N 1 1 315.732 1.643 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845721301 703193573 /nfs/dbraw/zinc/19/35/73/703193573.db2.gz RLRGJZSPCLWBQN-SECBINFHSA-N 1 1 315.732 1.643 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972304 703359228 /nfs/dbraw/zinc/35/92/28/703359228.db2.gz MMWKJAPOBYVRCG-DZGCQCFKSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@H+]1CC[C@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000847829082 703474180 /nfs/dbraw/zinc/47/41/80/703474180.db2.gz WGCFVLPKXWUWTN-SNVBAGLBSA-N 1 1 322.317 1.822 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000848659582 703572830 /nfs/dbraw/zinc/57/28/30/703572830.db2.gz MPSLQAVJWCFHTJ-RYUDHWBXSA-N 1 1 307.350 1.879 20 5 DDBDMO COC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852570620 704077210 /nfs/dbraw/zinc/07/72/10/704077210.db2.gz WXDHQBIKIAHSEB-UHFFFAOYSA-N 1 1 311.338 1.733 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852570620 704077212 /nfs/dbraw/zinc/07/72/12/704077212.db2.gz WXDHQBIKIAHSEB-UHFFFAOYSA-N 1 1 311.338 1.733 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000819154239 704077611 /nfs/dbraw/zinc/07/76/11/704077611.db2.gz GCTPNVCFSNXMEI-DOMZBBRYSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853966060 704341780 /nfs/dbraw/zinc/34/17/80/704341780.db2.gz OJKQAYIGDGTFDD-GFCCVEGCSA-N 1 1 309.341 1.769 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000854497611 704408163 /nfs/dbraw/zinc/40/81/63/704408163.db2.gz RZEMNJJXDOZEIK-JTQLQIEISA-N 1 1 310.379 1.553 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000854497611 704408164 /nfs/dbraw/zinc/40/81/64/704408164.db2.gz RZEMNJJXDOZEIK-JTQLQIEISA-N 1 1 310.379 1.553 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880439806 706976959 /nfs/dbraw/zinc/97/69/59/706976959.db2.gz KKKXJTYLJFOVQR-UPJWGTAASA-N 1 1 310.350 1.180 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874299305 705001748 /nfs/dbraw/zinc/00/17/48/705001748.db2.gz QWYGBTHJIWWNFZ-UHFFFAOYSA-N 1 1 309.366 1.520 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859888696 705030728 /nfs/dbraw/zinc/03/07/28/705030728.db2.gz JJPXQCLLLDAOGW-CQHMPISHSA-N 1 1 324.402 1.614 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850728 705203647 /nfs/dbraw/zinc/20/36/47/705203647.db2.gz WFPULLZBCUORJU-LSDHHAIUSA-N 1 1 303.362 1.832 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000861033762 705353665 /nfs/dbraw/zinc/35/36/65/705353665.db2.gz RLEDZVYICMAXDP-LBPRGKRZSA-N 1 1 308.334 1.862 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342994 705434617 /nfs/dbraw/zinc/43/46/17/705434617.db2.gz FZEDVKNEXREHRF-RISCZKNCSA-N 1 1 311.338 1.199 20 5 DDBDMO Nc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033760 705853060 /nfs/dbraw/zinc/85/30/60/705853060.db2.gz MFORKNSZYOBRSN-ZDUSSCGKSA-N 1 1 318.377 1.924 20 5 DDBDMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863321930 705901255 /nfs/dbraw/zinc/90/12/55/705901255.db2.gz ITSVMUWOIJSXHD-WVSHTKLVSA-N 1 1 303.322 1.098 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]12 ZINC000863338079 705905955 /nfs/dbraw/zinc/90/59/55/705905955.db2.gz NZGSCJUXLLSTOF-ZYHUDNBSSA-N 1 1 302.290 1.007 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]12 ZINC000863338079 705905957 /nfs/dbraw/zinc/90/59/57/705905957.db2.gz NZGSCJUXLLSTOF-ZYHUDNBSSA-N 1 1 302.290 1.007 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764461 706201128 /nfs/dbraw/zinc/20/11/28/706201128.db2.gz CQVJCKFTLVUKMX-QDPHKQGLSA-N 1 1 306.362 1.531 20 5 DDBDMO CC(C)[C@@H](O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251194 706338996 /nfs/dbraw/zinc/33/89/96/706338996.db2.gz HPDSOKAPRYAFNY-OCCSQVGLSA-N 1 1 308.382 1.883 20 5 DDBDMO Cc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880073588 706871527 /nfs/dbraw/zinc/87/15/27/706871527.db2.gz IUWJFGLFQFMORU-LSDHHAIUSA-N 1 1 305.378 1.544 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880171050 706900633 /nfs/dbraw/zinc/90/06/33/706900633.db2.gz TVPVFGFZKGUDCG-UHFFFAOYSA-N 1 1 319.361 1.718 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000880329232 706942149 /nfs/dbraw/zinc/94/21/49/706942149.db2.gz MTRLUCSFKKIXDB-HZMBPMFUSA-N 1 1 309.322 1.666 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C[C@H]1CO ZINC000880489716 706992758 /nfs/dbraw/zinc/99/27/58/706992758.db2.gz HSWPUFANEYSJAF-ZDUSSCGKSA-N 1 1 305.334 1.465 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000882489178 707660294 /nfs/dbraw/zinc/66/02/94/707660294.db2.gz NRYBVLLZPIOUPU-CYBMUJFWSA-N 1 1 316.361 1.829 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882766823 707784165 /nfs/dbraw/zinc/78/41/65/707784165.db2.gz RROJMYAHURGION-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882766823 707784169 /nfs/dbraw/zinc/78/41/69/707784169.db2.gz RROJMYAHURGION-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000839412162 708047030 /nfs/dbraw/zinc/04/70/30/708047030.db2.gz NCUGJJSTEIIIMI-OQPBUACISA-N 1 1 311.288 1.649 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000883898311 708079324 /nfs/dbraw/zinc/07/93/24/708079324.db2.gz XDVUSYLYTFAYMS-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000884004342 708098525 /nfs/dbraw/zinc/09/85/25/708098525.db2.gz SZJNDARHAXPXCX-NSHDSACASA-N 1 1 323.422 1.948 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000912603854 713044249 /nfs/dbraw/zinc/04/42/49/713044249.db2.gz ORZJJTFVYFPRMC-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886212843 708716217 /nfs/dbraw/zinc/71/62/17/708716217.db2.gz GWRMCJKZERTTKF-CYBMUJFWSA-N 1 1 320.393 1.675 20 5 DDBDMO CC[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910283415 709863971 /nfs/dbraw/zinc/86/39/71/709863971.db2.gz ZHRKATIYLLXRTA-LLVKDONJSA-N 1 1 307.350 1.857 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910283415 709863977 /nfs/dbraw/zinc/86/39/77/709863977.db2.gz ZHRKATIYLLXRTA-LLVKDONJSA-N 1 1 307.350 1.857 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000891993969 710348897 /nfs/dbraw/zinc/34/88/97/710348897.db2.gz XSTLUYDQYPHEJK-NSHDSACASA-N 1 1 309.366 1.835 20 5 DDBDMO CCOCC[NH+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000892354165 710422223 /nfs/dbraw/zinc/42/22/23/710422223.db2.gz JIKCJYMZYMXBLH-UHFFFAOYSA-N 1 1 321.337 1.290 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000892417502 710434087 /nfs/dbraw/zinc/43/40/87/710434087.db2.gz DMUWNEBBPSAKRJ-BETUJISGSA-N 1 1 304.350 1.298 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418025 710644497 /nfs/dbraw/zinc/64/44/97/710644497.db2.gz NZBVVBPIHICVAZ-GHMZBOCLSA-N 1 1 310.350 1.902 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317500 711095764 /nfs/dbraw/zinc/09/57/64/711095764.db2.gz LRRAXEWTSGNXDW-HUUCEWRRSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317500 711095767 /nfs/dbraw/zinc/09/57/67/711095767.db2.gz LRRAXEWTSGNXDW-HUUCEWRRSA-N 1 1 315.377 1.711 20 5 DDBDMO [NH3+][C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000903513290 711161610 /nfs/dbraw/zinc/16/16/10/711161610.db2.gz GNWHLOJKLMNJFU-NXEZZACHSA-N 1 1 305.256 1.622 20 5 DDBDMO C[N@@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000894881680 711307214 /nfs/dbraw/zinc/30/72/14/711307214.db2.gz OTSUZLLBFPBHOR-GFCCVEGCSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000894881680 711307217 /nfs/dbraw/zinc/30/72/17/711307217.db2.gz OTSUZLLBFPBHOR-GFCCVEGCSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000894885141 711308451 /nfs/dbraw/zinc/30/84/51/711308451.db2.gz OOVAZUBFBILKGL-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000894885141 711308454 /nfs/dbraw/zinc/30/84/54/711308454.db2.gz OOVAZUBFBILKGL-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO O=c1[nH]ccc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895570434 711545462 /nfs/dbraw/zinc/54/54/62/711545462.db2.gz SYKVXOBFCDZVIF-KOLCDFICSA-N 1 1 310.379 1.687 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000896282428 711700541 /nfs/dbraw/zinc/70/05/41/711700541.db2.gz NLZLSFFHEUXVDV-AWEZNQCLSA-N 1 1 321.377 1.963 20 5 DDBDMO [NH3+][C@H]1C[C@@H](CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000904341061 711843369 /nfs/dbraw/zinc/84/33/69/711843369.db2.gz OIVPMCNXVYOBRY-XBXGTLAGSA-N 1 1 318.377 1.090 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908052256 712672219 /nfs/dbraw/zinc/67/22/19/712672219.db2.gz CAOPPTACMUFTSA-GDBMZVCRSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000908512386 712793389 /nfs/dbraw/zinc/79/33/89/712793389.db2.gz LBZJLXMFZLQIGH-VZJVUDMVSA-N 1 1 307.350 1.227 20 5 DDBDMO Cc1[nH]nc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914444058 713396196 /nfs/dbraw/zinc/39/61/96/713396196.db2.gz OVIGKETXHXVVDD-JQWIXIFHSA-N 1 1 323.397 1.961 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000929399842 713604001 /nfs/dbraw/zinc/60/40/01/713604001.db2.gz VVSCVUFZJXBRLW-GFCCVEGCSA-N 1 1 323.397 1.480 20 5 DDBDMO CCOC(=O)/C=C\C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985542 713728736 /nfs/dbraw/zinc/72/87/36/713728736.db2.gz BUQSPQPDYJHYCX-VSQXVHSFSA-N 1 1 320.349 1.595 20 5 DDBDMO CCOC(=O)/C=C\C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985542 713728738 /nfs/dbraw/zinc/72/87/38/713728738.db2.gz BUQSPQPDYJHYCX-VSQXVHSFSA-N 1 1 320.349 1.595 20 5 DDBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930360681 713813984 /nfs/dbraw/zinc/81/39/84/713813984.db2.gz NMXZULWMOWPGGL-OAHLLOKOSA-N 1 1 313.398 1.986 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000931609000 714137805 /nfs/dbraw/zinc/13/78/05/714137805.db2.gz ALHDKJCWHHIUOY-AOOOYVTPSA-N 1 1 308.313 1.759 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](C4OCCO4)C3)nc2c1 ZINC000932005439 714231610 /nfs/dbraw/zinc/23/16/10/714231610.db2.gz RMOASYLIGZYUAN-JTQLQIEISA-N 1 1 319.317 1.931 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000923312377 714307532 /nfs/dbraw/zinc/30/75/32/714307532.db2.gz HQXLETDBNRQTPW-DZGCQCFKSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H]1C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923379845 714334901 /nfs/dbraw/zinc/33/49/01/714334901.db2.gz ABGFVIVNJNLOMI-DSPQJCBJSA-N 1 1 307.394 1.933 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933726266 714656284 /nfs/dbraw/zinc/65/62/84/714656284.db2.gz LIFQLWRGJIFMOL-BETUJISGSA-N 1 1 310.375 1.114 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933726266 714656286 /nfs/dbraw/zinc/65/62/86/714656286.db2.gz LIFQLWRGJIFMOL-BETUJISGSA-N 1 1 310.375 1.114 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000925424517 714852077 /nfs/dbraw/zinc/85/20/77/714852077.db2.gz MHRBUVQUWDHIDP-NSHDSACASA-N 1 1 306.366 1.833 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000934889906 714925140 /nfs/dbraw/zinc/92/51/40/714925140.db2.gz KUJIQDSEROSXDY-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCCn1cc[nH+]c1C ZINC000935010031 714955717 /nfs/dbraw/zinc/95/57/17/714955717.db2.gz ARRRYBNSVBBFGT-UHFFFAOYSA-N 1 1 320.353 1.153 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001164668057 719389503 /nfs/dbraw/zinc/38/95/03/719389503.db2.gz PUMXRXNIQFDKDI-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001164666137 719391580 /nfs/dbraw/zinc/39/15/80/719391580.db2.gz JJVUPWXEAOJVJT-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO O=C(NCC[NH2+]Cc1cccc(C(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936963 742845034 /nfs/dbraw/zinc/84/50/34/742845034.db2.gz YWDQVFOAYFKMGK-VXGBXAGGSA-N 1 1 313.304 1.495 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001198157594 747394249 /nfs/dbraw/zinc/39/42/49/747394249.db2.gz RFDOBYVIVPMCQA-GFCCVEGCSA-N 1 1 315.333 1.036 20 5 DDBDMO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000996429327 749587984 /nfs/dbraw/zinc/58/79/84/749587984.db2.gz PRHYJHXTLVYVJX-ZIAGYGMSSA-N 1 1 323.418 1.802 20 5 DDBDMO O=C(C1CCC1)N1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169028401 762185295 /nfs/dbraw/zinc/18/52/95/762185295.db2.gz RXQPQMCMDXHHPY-ZFWWWQNUSA-N 1 1 309.410 1.766 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030131 762186689 /nfs/dbraw/zinc/18/66/89/762186689.db2.gz WUHQBOWUUZHXRJ-RFBLXINOSA-N 1 1 310.394 1.558 20 5 DDBDMO CCc1ncnc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022089 762200552 /nfs/dbraw/zinc/20/05/52/762200552.db2.gz MUIQWQQEPFJXOS-STQMWFEESA-N 1 1 304.394 1.885 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC001170328677 766253970 /nfs/dbraw/zinc/25/39/70/766253970.db2.gz LIYZEEMTGQCZCH-NSHDSACASA-N 1 1 307.350 1.356 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC001170328677 766253972 /nfs/dbraw/zinc/25/39/72/766253972.db2.gz LIYZEEMTGQCZCH-NSHDSACASA-N 1 1 307.350 1.356 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H](N)CCC[NH3+] ZINC001170903444 771901104 /nfs/dbraw/zinc/90/11/04/771901104.db2.gz JVIIUOZPYXONNJ-NSHDSACASA-N 1 1 316.745 1.470 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094517532 775975666 /nfs/dbraw/zinc/97/56/66/775975666.db2.gz WGIOONFKMSZCCQ-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001173223394 777056947 /nfs/dbraw/zinc/05/69/47/777056947.db2.gz ZNSRRHMZRJZCMO-WQVCFCJDSA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482967 861400950 /nfs/dbraw/zinc/40/09/50/861400950.db2.gz RPNNPAOIBDOEBH-DFBGVHRSSA-N 1 1 321.377 1.427 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCCN2CCCCO2)ncc1[N+](=O)[O-] ZINC001155003682 861639948 /nfs/dbraw/zinc/63/99/48/861639948.db2.gz WNQAQRFRQFWARZ-VMPITWQZSA-N 1 1 321.381 1.961 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001122030808 858667466 /nfs/dbraw/zinc/66/74/66/858667466.db2.gz GMAZHVWVUMSMRI-CQSZACIVSA-N 1 1 304.350 1.367 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001139628263 860441703 /nfs/dbraw/zinc/44/17/03/860441703.db2.gz UTDPECWAYYJNFH-GFCCVEGCSA-N 1 1 306.366 1.855 20 5 DDBDMO Cc1[nH+]c(N)ccc1CNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156981263 863495746 /nfs/dbraw/zinc/49/57/46/863495746.db2.gz WXMNMRFISUGBTA-UHFFFAOYSA-N 1 1 309.713 1.779 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416375 863655255 /nfs/dbraw/zinc/65/52/55/863655255.db2.gz LLEKPUMEEMDPAA-OCCSQVGLSA-N 1 1 307.350 1.229 20 5 DDBDMO Cc1c(C)c(N2CC([N@H+](C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158731763 864868711 /nfs/dbraw/zinc/86/87/11/864868711.db2.gz XVHIZNLWPLUEHA-LBPRGKRZSA-N 1 1 306.366 1.516 20 5 DDBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001225598944 881932183 /nfs/dbraw/zinc/93/21/83/881932183.db2.gz ZIZGTCBQTXCPES-CDGCEXEKSA-N 1 1 321.333 1.535 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160720826 866060023 /nfs/dbraw/zinc/06/00/23/866060023.db2.gz SSONVZDLKGRXTQ-KBPBESRZSA-N 1 1 306.366 1.963 20 5 DDBDMO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001162875568 867891821 /nfs/dbraw/zinc/89/18/21/867891821.db2.gz GYXFKHWRGIDVJS-CYBMUJFWSA-N 1 1 323.397 1.731 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164206899 869014393 /nfs/dbraw/zinc/01/43/93/869014393.db2.gz JRLZWMCULWWWGG-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CC(=O)c1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727478 869112014 /nfs/dbraw/zinc/11/20/14/869112014.db2.gz WLMFEQYQKCLRNX-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727478 869112020 /nfs/dbraw/zinc/11/20/20/869112020.db2.gz WLMFEQYQKCLRNX-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO C[C@H](CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001336754488 869125359 /nfs/dbraw/zinc/12/53/59/869125359.db2.gz LRQAONLEWKGULJ-OLZOCXBDSA-N 1 1 311.382 1.264 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001338199195 869864955 /nfs/dbraw/zinc/86/49/55/869864955.db2.gz DOWKHBPCDPCOSM-GASCZTMLSA-N 1 1 305.382 1.641 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2OC)C1 ZINC001226441553 882434426 /nfs/dbraw/zinc/43/44/26/882434426.db2.gz RICWHBLAMLCOBC-JTQLQIEISA-N 1 1 324.333 1.863 20 5 DDBDMO C[N@H+](CCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001317436909 870833606 /nfs/dbraw/zinc/83/36/06/870833606.db2.gz LRHOAIAXXBVOQD-UHFFFAOYSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001317436909 870833612 /nfs/dbraw/zinc/83/36/12/870833612.db2.gz LRHOAIAXXBVOQD-UHFFFAOYSA-N 1 1 314.345 1.852 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303799180 871155573 /nfs/dbraw/zinc/15/55/73/871155573.db2.gz DHFCYMBXQYIYGB-SKDRFNHKSA-N 1 1 311.769 2.000 20 5 DDBDMO C[C@@H]1COCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001341004481 871461611 /nfs/dbraw/zinc/46/16/11/871461611.db2.gz HHWPXGALRIUCIH-NHYWBVRUSA-N 1 1 307.350 1.264 20 5 DDBDMO CCc1ccc(C[N@@H+](CC)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001317479074 871607184 /nfs/dbraw/zinc/60/71/84/871607184.db2.gz AFBYCMCWMROMHE-HZPDHXFCSA-N 1 1 319.405 1.852 20 5 DDBDMO CCc1ccc(C[N@H+](CC)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001317479074 871607188 /nfs/dbraw/zinc/60/71/88/871607188.db2.gz AFBYCMCWMROMHE-HZPDHXFCSA-N 1 1 319.405 1.852 20 5 DDBDMO CCc1ccc(C[N@@H+](CC)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001317479074 871607193 /nfs/dbraw/zinc/60/71/93/871607193.db2.gz AFBYCMCWMROMHE-HZPDHXFCSA-N 1 1 319.405 1.852 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001318153619 871785229 /nfs/dbraw/zinc/78/52/29/871785229.db2.gz JYWCYJMYODYQNW-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001316823661 871971347 /nfs/dbraw/zinc/97/13/47/871971347.db2.gz OODFAUYKXWWOGO-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO COc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001316823661 871971356 /nfs/dbraw/zinc/97/13/56/871971356.db2.gz OODFAUYKXWWOGO-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001316823661 871971363 /nfs/dbraw/zinc/97/13/63/871971363.db2.gz OODFAUYKXWWOGO-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349920776 875457248 /nfs/dbraw/zinc/45/72/48/875457248.db2.gz KODXTBOHCLHUTD-SNVBAGLBSA-N 1 1 308.338 1.819 20 5 DDBDMO CCOC(=O)c1cc(Nc2c[nH+]ncc2N)cc([N+](=O)[O-])c1 ZINC001211370069 875777695 /nfs/dbraw/zinc/77/76/95/875777695.db2.gz USPROVFNXNLWHP-UHFFFAOYSA-N 1 1 303.278 1.887 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001351177302 876100817 /nfs/dbraw/zinc/10/08/17/876100817.db2.gz PIRHQYMHAUDIHI-NWDGAFQWSA-N 1 1 323.397 1.479 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001352440417 876747776 /nfs/dbraw/zinc/74/77/76/876747776.db2.gz NNSATLYYIYVNDI-UHFFFAOYSA-N 1 1 324.429 1.631 20 5 DDBDMO C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001353765794 877546389 /nfs/dbraw/zinc/54/63/89/877546389.db2.gz LDNPFPSOSZATOG-LBPRGKRZSA-N 1 1 321.377 1.476 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)CCO ZINC001219043247 877885745 /nfs/dbraw/zinc/88/57/45/877885745.db2.gz HUNZVPZLULJHIA-UHFFFAOYSA-N 1 1 310.354 1.203 20 5 DDBDMO CCc1ncc(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])[nH]1 ZINC001472889444 878332916 /nfs/dbraw/zinc/33/29/16/878332916.db2.gz VZZNNTYQAMHNHK-UHFFFAOYSA-N 1 1 303.322 1.852 20 5 DDBDMO [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CCOCC1 ZINC001249219505 893875971 /nfs/dbraw/zinc/87/59/71/893875971.db2.gz WUURPBREOPQAHZ-JTQLQIEISA-N 1 1 323.284 1.605 20 5 DDBDMO CCOC(=O)CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254574988 896508236 /nfs/dbraw/zinc/50/82/36/896508236.db2.gz MRWMRQYYPWKFTP-CYBMUJFWSA-N 1 1 320.345 1.374 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](n3ccnn3)C1)C2 ZINC001254610580 896529656 /nfs/dbraw/zinc/52/96/56/896529656.db2.gz LHJAHDMAQCYOQT-CVEARBPZSA-N 1 1 313.361 1.991 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001262705526 900321387 /nfs/dbraw/zinc/32/13/87/900321387.db2.gz LIMGDEHWRCWJDU-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001262705526 900321399 /nfs/dbraw/zinc/32/13/99/900321399.db2.gz LIMGDEHWRCWJDU-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC001263980100 900853692 /nfs/dbraw/zinc/85/36/92/900853692.db2.gz NEVFFFPZJIZKOD-WFBYXXMGSA-N 1 1 307.325 1.804 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263996119 900865306 /nfs/dbraw/zinc/86/53/06/900865306.db2.gz STGZXTBJEIJNCO-PMOUVXMZSA-N 1 1 319.361 1.085 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000286538461 219042219 /nfs/dbraw/zinc/04/22/19/219042219.db2.gz OAYUQOLZHBLBGN-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453604 214163593 /nfs/dbraw/zinc/16/35/93/214163593.db2.gz RDBVZNBEWGGPDU-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453604 214163597 /nfs/dbraw/zinc/16/35/97/214163597.db2.gz RDBVZNBEWGGPDU-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453604 214163600 /nfs/dbraw/zinc/16/36/00/214163600.db2.gz RDBVZNBEWGGPDU-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079192522 185161309 /nfs/dbraw/zinc/16/13/09/185161309.db2.gz JJDJNAUJKCBEJH-CQSZACIVSA-N 1 1 307.350 1.704 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714465 214347956 /nfs/dbraw/zinc/34/79/56/214347956.db2.gz OWEDLDITSDGYJV-LLVKDONJSA-N 1 1 319.365 1.281 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714465 214347960 /nfs/dbraw/zinc/34/79/60/214347960.db2.gz OWEDLDITSDGYJV-LLVKDONJSA-N 1 1 319.365 1.281 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000090552604 185302693 /nfs/dbraw/zinc/30/26/93/185302693.db2.gz FROVMRAUJOOHQG-UHFFFAOYSA-N 1 1 307.350 1.402 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC2(CCCC2)C1 ZINC000090552604 185302694 /nfs/dbraw/zinc/30/26/94/185302694.db2.gz FROVMRAUJOOHQG-UHFFFAOYSA-N 1 1 307.350 1.402 20 5 DDBDMO C[N@@H+](CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000457173493 529882880 /nfs/dbraw/zinc/88/28/80/529882880.db2.gz LCLYKCMAEBCKDW-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976505 530059542 /nfs/dbraw/zinc/05/95/42/530059542.db2.gz MRKKWAMWTUDXML-MRXNPFEDSA-N 1 1 320.393 1.174 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000458175579 530060941 /nfs/dbraw/zinc/06/09/41/530060941.db2.gz CSYGQFXJFPLEGA-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)n1 ZINC000286752870 219146463 /nfs/dbraw/zinc/14/64/63/219146463.db2.gz YVELIWOYXVZFRK-UWVGGRQHSA-N 1 1 322.287 1.284 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C ZINC000330790359 232070984 /nfs/dbraw/zinc/07/09/84/232070984.db2.gz AOGWGFBYFQORTF-UWVGGRQHSA-N 1 1 307.354 1.127 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272662118 210066630 /nfs/dbraw/zinc/06/66/30/210066630.db2.gz HCHQDRJIMCSVFH-NSHDSACASA-N 1 1 321.381 1.256 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279708064 215079723 /nfs/dbraw/zinc/07/97/23/215079723.db2.gz HRPSJSAVIJIJMO-TZMCWYRMSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331383852 233256158 /nfs/dbraw/zinc/25/61/58/233256158.db2.gz HNQDVPPOZQNSPO-JTQLQIEISA-N 1 1 307.354 1.373 20 5 DDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000358468201 299162701 /nfs/dbraw/zinc/16/27/01/299162701.db2.gz QDBMKPGCJSPCBS-CQSZACIVSA-N 1 1 321.352 1.972 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000617285157 363037713 /nfs/dbraw/zinc/03/77/13/363037713.db2.gz CTDNZDZQJPMGQV-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000617285157 363037717 /nfs/dbraw/zinc/03/77/17/363037717.db2.gz CTDNZDZQJPMGQV-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553942 352820078 /nfs/dbraw/zinc/82/00/78/352820078.db2.gz JEIVVEOGSREHEI-LLVKDONJSA-N 1 1 305.334 1.327 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063711076 352921223 /nfs/dbraw/zinc/92/12/23/352921223.db2.gz GWURMKJEMIRIDW-CYBMUJFWSA-N 1 1 323.397 1.418 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000061649248 352892052 /nfs/dbraw/zinc/89/20/52/352892052.db2.gz OBEHSWREMNLQJW-QWRGUYRKSA-N 1 1 311.363 1.249 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000061649424 352892136 /nfs/dbraw/zinc/89/21/36/352892136.db2.gz CIDNPQDIYJATOW-UONOGXRCSA-N 1 1 305.334 1.188 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000331908284 234263308 /nfs/dbraw/zinc/26/33/08/234263308.db2.gz ALQZSRQGYVHPQL-ZJUUUORDSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000331908284 234263312 /nfs/dbraw/zinc/26/33/12/234263312.db2.gz ALQZSRQGYVHPQL-ZJUUUORDSA-N 1 1 317.349 1.636 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000173552166 198226412 /nfs/dbraw/zinc/22/64/12/198226412.db2.gz FTVFUSLAFCLJMY-UHFFFAOYSA-N 1 1 324.381 1.184 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000068550320 353119051 /nfs/dbraw/zinc/11/90/51/353119051.db2.gz NFEBDGBPDMGLNN-UHFFFAOYSA-N 1 1 317.349 1.810 20 5 DDBDMO CCC1(O)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072724050 353212387 /nfs/dbraw/zinc/21/23/87/353212387.db2.gz UHJCRDMREPJUON-UHFFFAOYSA-N 1 1 321.377 1.795 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000074106280 353292680 /nfs/dbraw/zinc/29/26/80/353292680.db2.gz YFQHWOFVDHBDHI-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000174511743 198343831 /nfs/dbraw/zinc/34/38/31/198343831.db2.gz MXGYABOORIPLKP-CYBMUJFWSA-N 1 1 320.393 1.807 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174539707 198349578 /nfs/dbraw/zinc/34/95/78/198349578.db2.gz RTPQPLLRSVYIOA-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075838164 353382189 /nfs/dbraw/zinc/38/21/89/353382189.db2.gz CFDLHPLGNGUOLU-OSRDXIQISA-N 1 1 308.382 1.805 20 5 DDBDMO C[N@@H+](CCOc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654238 198365555 /nfs/dbraw/zinc/36/55/55/198365555.db2.gz CRGOYXDNJYOEHV-CQSZACIVSA-N 1 1 320.349 1.163 20 5 DDBDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000086233757 353739712 /nfs/dbraw/zinc/73/97/12/353739712.db2.gz SLEXFAUXMWGPQQ-SMDDNHRTSA-N 1 1 320.349 1.971 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000091676991 353834021 /nfs/dbraw/zinc/83/40/21/353834021.db2.gz DQHFUNQBYVCOQC-NEPJUHHUSA-N 1 1 323.397 1.556 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000091676991 353834023 /nfs/dbraw/zinc/83/40/23/353834023.db2.gz DQHFUNQBYVCOQC-NEPJUHHUSA-N 1 1 323.397 1.556 20 5 DDBDMO Cc1nn(C)c(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145684 353791223 /nfs/dbraw/zinc/79/12/23/353791223.db2.gz ZEUDTZFHPMEKEJ-NEPJUHHUSA-N 1 1 309.370 1.302 20 5 DDBDMO Cc1nn(C)c(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145684 353791225 /nfs/dbraw/zinc/79/12/25/353791225.db2.gz ZEUDTZFHPMEKEJ-NEPJUHHUSA-N 1 1 309.370 1.302 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090145724 353791392 /nfs/dbraw/zinc/79/13/92/353791392.db2.gz UCQUJUMGMYWQBC-TZMCWYRMSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090145724 353791393 /nfs/dbraw/zinc/79/13/93/353791393.db2.gz UCQUJUMGMYWQBC-TZMCWYRMSA-N 1 1 306.366 1.963 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(CO)CC1 ZINC000090560661 353795773 /nfs/dbraw/zinc/79/57/73/353795773.db2.gz GNIHHZYZFHYPRK-UHFFFAOYSA-N 1 1 309.366 1.239 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817327 353905238 /nfs/dbraw/zinc/90/52/38/353905238.db2.gz VNMNNKDNQAUPFY-CYBMUJFWSA-N 1 1 321.377 1.455 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142316507 354144389 /nfs/dbraw/zinc/14/43/89/354144389.db2.gz QTOISPKTXTYWLD-OAHLLOKOSA-N 1 1 303.362 1.834 20 5 DDBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156798954 354221195 /nfs/dbraw/zinc/22/11/95/354221195.db2.gz NOIQEBRKNSMXIU-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156798954 354221198 /nfs/dbraw/zinc/22/11/98/354221198.db2.gz NOIQEBRKNSMXIU-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055885 354228487 /nfs/dbraw/zinc/22/84/87/354228487.db2.gz CACLFRXXZRBNNI-DGCLKSJQSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055885 354228490 /nfs/dbraw/zinc/22/84/90/354228490.db2.gz CACLFRXXZRBNNI-DGCLKSJQSA-N 1 1 307.350 1.352 20 5 DDBDMO COc1cc(C[NH2+]Cc2cncn2C)c([N+](=O)[O-])cc1OC ZINC000289436661 354439974 /nfs/dbraw/zinc/43/99/74/354439974.db2.gz AFTDNMYRMCZKQI-UHFFFAOYSA-N 1 1 306.322 1.635 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403826584 354670534 /nfs/dbraw/zinc/67/05/34/354670534.db2.gz CGDNGOOHPKBLNL-JTQLQIEISA-N 1 1 304.297 1.049 20 5 DDBDMO COc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000585783525 354842193 /nfs/dbraw/zinc/84/21/93/354842193.db2.gz RSSXWGXPKIDBRJ-STQMWFEESA-N 1 1 309.366 1.759 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000587862310 354886344 /nfs/dbraw/zinc/88/63/44/354886344.db2.gz ZYLVHXOSICBFEU-JSGCOSHPSA-N 1 1 309.341 1.769 20 5 DDBDMO CCOc1cc(C[N@@H+](CCO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000276989229 213224405 /nfs/dbraw/zinc/22/44/05/213224405.db2.gz ZSEZVJBFYBTXTB-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977177 354953714 /nfs/dbraw/zinc/95/37/14/354953714.db2.gz HCDHIOKFWJTPQJ-LLVKDONJSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977177 354953719 /nfs/dbraw/zinc/95/37/19/354953719.db2.gz HCDHIOKFWJTPQJ-LLVKDONJSA-N 1 1 320.349 1.039 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC000589501923 354997148 /nfs/dbraw/zinc/99/71/48/354997148.db2.gz KHDXDJYYSHILJV-OAHLLOKOSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(O)C2)c1 ZINC000589501923 354997150 /nfs/dbraw/zinc/99/71/50/354997150.db2.gz KHDXDJYYSHILJV-OAHLLOKOSA-N 1 1 308.334 1.728 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000590044131 355042427 /nfs/dbraw/zinc/04/24/27/355042427.db2.gz HGHYQLITGDWLKP-AAEUAGOBSA-N 1 1 305.334 1.136 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590442837 355096443 /nfs/dbraw/zinc/09/64/43/355096443.db2.gz HLYSCOOTNPVXSX-RISCZKNCSA-N 1 1 304.350 1.169 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446357 355099788 /nfs/dbraw/zinc/09/97/88/355099788.db2.gz UTPAZNMRFOSNOL-SMDDNHRTSA-N 1 1 321.402 1.849 20 5 DDBDMO CCN1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000590659565 355139917 /nfs/dbraw/zinc/13/99/17/355139917.db2.gz YHWITHFJWXSZJQ-LLVKDONJSA-N 1 1 321.333 1.076 20 5 DDBDMO CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592330546 355560514 /nfs/dbraw/zinc/56/05/14/355560514.db2.gz BZQYOKKRKFFVJL-CABZTGNLSA-N 1 1 317.349 1.671 20 5 DDBDMO C[C@@H]1[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000592746816 355673765 /nfs/dbraw/zinc/67/37/65/355673765.db2.gz GVNCZTWFPZOKBB-VXGBXAGGSA-N 1 1 306.366 1.463 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000593019058 355771492 /nfs/dbraw/zinc/77/14/92/355771492.db2.gz DGQLKQOJIFOPFB-RYUDHWBXSA-N 1 1 321.377 1.906 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000593995888 356082324 /nfs/dbraw/zinc/08/23/24/356082324.db2.gz DAGXSPRORDMQFX-OAHLLOKOSA-N 1 1 305.378 1.891 20 5 DDBDMO CCS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594992611 356369536 /nfs/dbraw/zinc/36/95/36/356369536.db2.gz HNLVUHZZPNGRPV-UHFFFAOYSA-N 1 1 316.354 1.791 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595527999 356534754 /nfs/dbraw/zinc/53/47/54/356534754.db2.gz PYZVJSDWAHZNQM-IJLUTSLNSA-N 1 1 311.338 1.253 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595596530 356568765 /nfs/dbraw/zinc/56/87/65/356568765.db2.gz NNNIOWTWJHDJHF-AWEZNQCLSA-N 1 1 304.350 1.327 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596215163 356817897 /nfs/dbraw/zinc/81/78/97/356817897.db2.gz RBKGSAFULQHSPT-PHIMTYICSA-N 1 1 310.354 1.241 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596215163 356817902 /nfs/dbraw/zinc/81/79/02/356817902.db2.gz RBKGSAFULQHSPT-PHIMTYICSA-N 1 1 310.354 1.241 20 5 DDBDMO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000596246146 356831379 /nfs/dbraw/zinc/83/13/79/356831379.db2.gz CBBDSUIALNLTMU-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596136090 356786523 /nfs/dbraw/zinc/78/65/23/356786523.db2.gz HCUIDCOHBPWMAQ-BXUZGUMPSA-N 1 1 320.393 1.860 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537450 356910102 /nfs/dbraw/zinc/91/01/02/356910102.db2.gz GKYCPLREYSZHAI-ZDUSSCGKSA-N 1 1 323.397 1.155 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347622522 283243426 /nfs/dbraw/zinc/24/34/26/283243426.db2.gz JAFHLRBBDOVKCB-CYBMUJFWSA-N 1 1 309.370 1.030 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597604825 357250120 /nfs/dbraw/zinc/25/01/20/357250120.db2.gz KYDYMKLSRWRAFE-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597604825 357250126 /nfs/dbraw/zinc/25/01/26/357250126.db2.gz KYDYMKLSRWRAFE-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597857315 357360311 /nfs/dbraw/zinc/36/03/11/357360311.db2.gz DBVIPDAFQVIQKB-NSHDSACASA-N 1 1 323.397 1.515 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598343798 357546916 /nfs/dbraw/zinc/54/69/16/357546916.db2.gz YFVCRRVMHXWLLJ-JTQLQIEISA-N 1 1 321.333 1.538 20 5 DDBDMO CCC[N@@H+](CC)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598599780 357648524 /nfs/dbraw/zinc/64/85/24/357648524.db2.gz FECPACTUSFFOOJ-UHFFFAOYSA-N 1 1 310.354 1.920 20 5 DDBDMO C[N@@H+]1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599015055 357794331 /nfs/dbraw/zinc/79/43/31/357794331.db2.gz VJGYUBPFDLAEPN-LBPRGKRZSA-N 1 1 307.350 1.550 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599015055 357794333 /nfs/dbraw/zinc/79/43/33/357794333.db2.gz VJGYUBPFDLAEPN-LBPRGKRZSA-N 1 1 307.350 1.550 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674069 358019853 /nfs/dbraw/zinc/01/98/53/358019853.db2.gz WBSNPHCOVVKPEW-COPLHBTASA-N 1 1 307.350 1.625 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599704806 358033265 /nfs/dbraw/zinc/03/32/65/358033265.db2.gz UEEDGDSNYSOJJJ-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO COC(=O)c1cnc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000276712125 213060482 /nfs/dbraw/zinc/06/04/82/213060482.db2.gz JJYVVRSKWQBJCY-LLVKDONJSA-N 1 1 322.365 1.554 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)CO)cs2)c1 ZINC000276705998 213058313 /nfs/dbraw/zinc/05/83/13/213058313.db2.gz FYJRPHLAAHGELG-GFCCVEGCSA-N 1 1 309.347 1.161 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000600315919 358194998 /nfs/dbraw/zinc/19/49/98/358194998.db2.gz XGGZBIUZOQUZIY-GFCCVEGCSA-N 1 1 323.397 1.375 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000600472387 358234026 /nfs/dbraw/zinc/23/40/26/358234026.db2.gz XCNQZXWURXOHOL-LBPRGKRZSA-N 1 1 320.349 1.442 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565494 199177052 /nfs/dbraw/zinc/17/70/52/199177052.db2.gz DEBZACKUKOQYTB-LLVKDONJSA-N 1 1 321.381 1.566 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000348109423 283372775 /nfs/dbraw/zinc/37/27/75/283372775.db2.gz VLXMWIGSXGNZTM-QWRGUYRKSA-N 1 1 304.354 1.556 20 5 DDBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C)C1=O ZINC000601120657 358410764 /nfs/dbraw/zinc/41/07/64/358410764.db2.gz JKOGNQHNZCJSNJ-CQSZACIVSA-N 1 1 300.318 1.810 20 5 DDBDMO CCc1nn(C)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149542 358422206 /nfs/dbraw/zinc/42/22/06/358422206.db2.gz NXUKXUZYKOJOAC-INIZCTEOSA-N 1 1 318.377 1.888 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]2C1 ZINC000601185475 358438624 /nfs/dbraw/zinc/43/86/24/358438624.db2.gz VHQPJFHBMPJMHU-NEPJUHHUSA-N 1 1 313.361 1.926 20 5 DDBDMO Cn1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602429991 358970820 /nfs/dbraw/zinc/97/08/20/358970820.db2.gz JIHANSPIFPDGTN-UHFFFAOYSA-N 1 1 321.381 1.163 20 5 DDBDMO Cn1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602783336 359189107 /nfs/dbraw/zinc/18/91/07/359189107.db2.gz LIRXCQJRRXFUQV-CQSZACIVSA-N 1 1 323.397 1.015 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602783336 359189114 /nfs/dbraw/zinc/18/91/14/359189114.db2.gz LIRXCQJRRXFUQV-CQSZACIVSA-N 1 1 323.397 1.015 20 5 DDBDMO CN1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1=O ZINC000602715566 359144557 /nfs/dbraw/zinc/14/45/57/359144557.db2.gz PPSIGOZTTLTEMR-LLVKDONJSA-N 1 1 318.333 1.789 20 5 DDBDMO CN1C[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1=O ZINC000602715566 359144560 /nfs/dbraw/zinc/14/45/60/359144560.db2.gz PPSIGOZTTLTEMR-LLVKDONJSA-N 1 1 318.333 1.789 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602838860 359229269 /nfs/dbraw/zinc/22/92/69/359229269.db2.gz UHSAMPADSVZPNW-LBPRGKRZSA-N 1 1 323.397 1.013 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(CC(F)F)CC1 ZINC000602802289 359201312 /nfs/dbraw/zinc/20/13/12/359201312.db2.gz XSAKCQWZAZAMPD-UHFFFAOYSA-N 1 1 317.340 1.373 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602929913 359299924 /nfs/dbraw/zinc/29/99/24/359299924.db2.gz YSYMCNQBCIVWFJ-HZMBPMFUSA-N 1 1 310.354 1.231 20 5 DDBDMO Cc1nn(CC[N@@H+]2CCO[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603325193 359570316 /nfs/dbraw/zinc/57/03/16/359570316.db2.gz HMQVWFZINNILQJ-SNVBAGLBSA-N 1 1 305.338 1.369 20 5 DDBDMO Cc1nn(CC[N@H+]2CCO[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603325193 359570320 /nfs/dbraw/zinc/57/03/20/359570320.db2.gz HMQVWFZINNILQJ-SNVBAGLBSA-N 1 1 305.338 1.369 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000188682652 200286684 /nfs/dbraw/zinc/28/66/84/200286684.db2.gz XESPLXDOICZCAF-LBPRGKRZSA-N 1 1 321.377 1.512 20 5 DDBDMO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609269243 360286170 /nfs/dbraw/zinc/28/61/70/360286170.db2.gz NMQARNAOPIDAIC-SNVBAGLBSA-N 1 1 313.379 1.497 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609269243 360286173 /nfs/dbraw/zinc/28/61/73/360286173.db2.gz NMQARNAOPIDAIC-SNVBAGLBSA-N 1 1 313.379 1.497 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359020299 299308781 /nfs/dbraw/zinc/30/87/81/299308781.db2.gz PUAGKZAOZTWVGH-NEPJUHHUSA-N 1 1 321.381 1.748 20 5 DDBDMO CNc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900750 360568067 /nfs/dbraw/zinc/56/80/67/360568067.db2.gz KAQDYUUAGJOTTC-QMTHXVAHSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900750 360568074 /nfs/dbraw/zinc/56/80/74/360568074.db2.gz KAQDYUUAGJOTTC-QMTHXVAHSA-N 1 1 322.365 1.085 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610931057 360574099 /nfs/dbraw/zinc/57/40/99/360574099.db2.gz SNDBSIWPRJMYEW-JTQLQIEISA-N 1 1 321.333 1.063 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610931057 360574104 /nfs/dbraw/zinc/57/41/04/360574104.db2.gz SNDBSIWPRJMYEW-JTQLQIEISA-N 1 1 321.333 1.063 20 5 DDBDMO C[C@H]1COCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990902 360592263 /nfs/dbraw/zinc/59/22/63/360592263.db2.gz UFQGIZKERFOUGH-JSGCOSHPSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000611104211 360624060 /nfs/dbraw/zinc/62/40/60/360624060.db2.gz NFWQKBISIRSGSA-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO C[C@H](O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190812961 200588328 /nfs/dbraw/zinc/58/83/28/200588328.db2.gz QCZUFQJSBNLLME-STQMWFEESA-N 1 1 312.366 1.427 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[C@H]1O ZINC000611285735 360690053 /nfs/dbraw/zinc/69/00/53/360690053.db2.gz KBFKHTJTMBTQGS-BXUZGUMPSA-N 1 1 322.361 1.959 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000271859726 209275039 /nfs/dbraw/zinc/27/50/39/209275039.db2.gz KDOAFRRETUDURR-UHFFFAOYSA-N 1 1 305.334 1.352 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252431 363945230 /nfs/dbraw/zinc/94/52/30/363945230.db2.gz LKXFTCIZXGATTF-CMPLNLGQSA-N 1 1 322.340 1.435 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619255004 363946840 /nfs/dbraw/zinc/94/68/40/363946840.db2.gz SIMWKWIQUFEUSC-KBPBESRZSA-N 1 1 322.340 1.557 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868432 364167685 /nfs/dbraw/zinc/16/76/85/364167685.db2.gz FKUNJIAGCCCKFX-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868432 364167690 /nfs/dbraw/zinc/16/76/90/364167690.db2.gz FKUNJIAGCCCKFX-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC000619868432 364167696 /nfs/dbraw/zinc/16/76/96/364167696.db2.gz FKUNJIAGCCCKFX-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000262041143 203181465 /nfs/dbraw/zinc/18/14/65/203181465.db2.gz YNOWTHRWAIWFQK-PELKAZGASA-N 1 1 313.741 1.241 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000264591765 204015524 /nfs/dbraw/zinc/01/55/24/204015524.db2.gz WENAZKIYCPOVTB-GFCCVEGCSA-N 1 1 307.350 1.354 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266057033 205062458 /nfs/dbraw/zinc/06/24/58/205062458.db2.gz JNPINHIDEJNEAR-UHFFFAOYSA-N 1 1 302.334 1.849 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000266123383 205116601 /nfs/dbraw/zinc/11/66/01/205116601.db2.gz ZMKIYBDDMNZUKR-UHFFFAOYSA-N 1 1 323.349 1.390 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274520377 211686229 /nfs/dbraw/zinc/68/62/29/211686229.db2.gz SCQLHVBATIRFHN-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000273963259 211217993 /nfs/dbraw/zinc/21/79/93/211217993.db2.gz FYJHETUZECATMP-SECBINFHSA-N 1 1 319.321 1.616 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1CCCC2 ZINC000284765682 218169211 /nfs/dbraw/zinc/16/92/11/218169211.db2.gz MJJLMVOKYNGXAS-IUODEOHRSA-N 1 1 322.365 1.457 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000338766974 250127144 /nfs/dbraw/zinc/12/71/44/250127144.db2.gz LMBAJJLULHFZMU-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000340871877 251253556 /nfs/dbraw/zinc/25/35/56/251253556.db2.gz ORPUJQFUBGPZEA-UHFFFAOYSA-N 1 1 302.338 1.226 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340907086 251269577 /nfs/dbraw/zinc/26/95/77/251269577.db2.gz LEQGREUCZROMJL-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000288645820 220320007 /nfs/dbraw/zinc/32/00/07/220320007.db2.gz ZLMKWPBDVAJDTF-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000288645820 220320013 /nfs/dbraw/zinc/32/00/13/220320013.db2.gz ZLMKWPBDVAJDTF-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO COc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272944068 210330554 /nfs/dbraw/zinc/33/05/54/210330554.db2.gz MEKOGDSSZPPAPL-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO Cc1c(C(=O)NCCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000288748097 220389106 /nfs/dbraw/zinc/38/91/06/220389106.db2.gz QKYRFRGFUYGCDO-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1c(C(=O)NCCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000288748097 220389110 /nfs/dbraw/zinc/38/91/10/220389110.db2.gz QKYRFRGFUYGCDO-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000157647335 197204338 /nfs/dbraw/zinc/20/43/38/197204338.db2.gz YRNOMQDDUCANHX-KCJUWKMLSA-N 1 1 303.322 1.328 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352659518 285204222 /nfs/dbraw/zinc/20/42/22/285204222.db2.gz NQFRHLXOIABREJ-JSGCOSHPSA-N 1 1 310.350 1.827 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289855699 221270843 /nfs/dbraw/zinc/27/08/43/221270843.db2.gz CKBJNBZRDIELAQ-LLVKDONJSA-N 1 1 307.354 1.088 20 5 DDBDMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000568998304 304328926 /nfs/dbraw/zinc/32/89/26/304328926.db2.gz TVQWXUBOFJCOQV-NSHDSACASA-N 1 1 307.350 1.560 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000069144506 406686359 /nfs/dbraw/zinc/68/63/59/406686359.db2.gz UVCZJPKTCFPGRI-SNVBAGLBSA-N 1 1 318.782 1.915 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106865791 407363924 /nfs/dbraw/zinc/36/39/24/407363924.db2.gz GPYKWJJWLXWZFD-DUVNUKRYSA-N 1 1 324.377 1.570 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000106884152 407364832 /nfs/dbraw/zinc/36/48/32/407364832.db2.gz PJUANTUIJQVJGO-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111263945 407403886 /nfs/dbraw/zinc/40/38/86/407403886.db2.gz CDXXZQWHLZNYHW-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCn1cccn1 ZINC000111280177 407406031 /nfs/dbraw/zinc/40/60/31/407406031.db2.gz UPDXSQMIEUSFOO-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCn1cccn1 ZINC000111280177 407406032 /nfs/dbraw/zinc/40/60/32/407406032.db2.gz UPDXSQMIEUSFOO-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270983950 407451390 /nfs/dbraw/zinc/45/13/90/407451390.db2.gz XOXCUFLCPGPQHA-WDMOLILDSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270983950 407451397 /nfs/dbraw/zinc/45/13/97/407451397.db2.gz XOXCUFLCPGPQHA-WDMOLILDSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270983938 407452003 /nfs/dbraw/zinc/45/20/03/407452003.db2.gz XOXCUFLCPGPQHA-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270983938 407452011 /nfs/dbraw/zinc/45/20/11/407452011.db2.gz XOXCUFLCPGPQHA-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185973939 407556328 /nfs/dbraw/zinc/55/63/28/407556328.db2.gz PTKVMDNXRUNWII-DZGCQCFKSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185973939 407556332 /nfs/dbraw/zinc/55/63/32/407556332.db2.gz PTKVMDNXRUNWII-DZGCQCFKSA-N 1 1 307.350 1.358 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000128229630 407510745 /nfs/dbraw/zinc/51/07/45/407510745.db2.gz YYTFZCYLYUTHMD-GFCCVEGCSA-N 1 1 323.397 1.426 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000266528363 407546532 /nfs/dbraw/zinc/54/65/32/407546532.db2.gz LCKZXHWNLNPITC-GOEBONIOSA-N 1 1 316.361 1.642 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000115443173 407680692 /nfs/dbraw/zinc/68/06/92/407680692.db2.gz RURYAUDFKKENFS-JTQLQIEISA-N 1 1 324.356 1.730 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171756283 407762460 /nfs/dbraw/zinc/76/24/60/407762460.db2.gz XRYWMKUHTBHVAU-CYBMUJFWSA-N 1 1 306.366 1.736 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267214647 407793760 /nfs/dbraw/zinc/79/37/60/407793760.db2.gz IALYZZVJWWALTP-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000179910004 407842713 /nfs/dbraw/zinc/84/27/13/407842713.db2.gz WRLDSFQKLAIYOK-UHFFFAOYSA-N 1 1 307.306 1.101 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000268041056 407864989 /nfs/dbraw/zinc/86/49/89/407864989.db2.gz XZQXSYICSFBCFK-TXEJJXNPSA-N 1 1 324.381 1.542 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+](CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000118844221 407954442 /nfs/dbraw/zinc/95/44/42/407954442.db2.gz ZWLOPZIZMFWKDT-UHFFFAOYSA-N 1 1 307.350 1.431 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272528848 407966236 /nfs/dbraw/zinc/96/62/36/407966236.db2.gz MHBZSHWHVNRPJA-MRVPVSSYSA-N 1 1 321.362 1.281 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000135138155 407980296 /nfs/dbraw/zinc/98/02/96/407980296.db2.gz CYFBQBPJACTJEY-OAHLLOKOSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000135138155 407980303 /nfs/dbraw/zinc/98/03/03/407980303.db2.gz CYFBQBPJACTJEY-OAHLLOKOSA-N 1 1 320.324 1.350 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000273069356 408045435 /nfs/dbraw/zinc/04/54/35/408045435.db2.gz ZJJTUTQJSZCCTF-NSHDSACASA-N 1 1 318.377 1.866 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272570168 407988433 /nfs/dbraw/zinc/98/84/33/407988433.db2.gz FTCDKOMRRXAYDK-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)C1 ZINC000245962863 408108307 /nfs/dbraw/zinc/10/83/07/408108307.db2.gz VCVGDZGAPWNQLO-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)C1 ZINC000245962863 408108310 /nfs/dbraw/zinc/10/83/10/408108310.db2.gz VCVGDZGAPWNQLO-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO COCCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000175583526 408165793 /nfs/dbraw/zinc/16/57/93/408165793.db2.gz ZRFZUJIBJRDESQ-UHFFFAOYSA-N 1 1 309.366 1.380 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000246383082 408237930 /nfs/dbraw/zinc/23/79/30/408237930.db2.gz OTVMHRMIFUDWKR-STQMWFEESA-N 1 1 318.377 1.702 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263791339 408258381 /nfs/dbraw/zinc/25/83/81/408258381.db2.gz XLGAADRRDHPHRX-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190401665 408236129 /nfs/dbraw/zinc/23/61/29/408236129.db2.gz SKIBTXCYIIUYPB-BXUZGUMPSA-N 1 1 310.350 1.685 20 5 DDBDMO COc1ccccc1CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176231175 408318212 /nfs/dbraw/zinc/31/82/12/408318212.db2.gz MCVBNXWUWOFUML-UHFFFAOYSA-N 1 1 304.350 1.974 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000171807612 162242523 /nfs/dbraw/zinc/24/25/23/162242523.db2.gz FWNHPVVADIPLJZ-JTQLQIEISA-N 1 1 307.354 1.191 20 5 DDBDMO C[C@@H]1OCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248457135 408570933 /nfs/dbraw/zinc/57/09/33/408570933.db2.gz MCVMPSLBXVRTED-RWMBFGLXSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1OCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000248457135 408570937 /nfs/dbraw/zinc/57/09/37/408570937.db2.gz MCVMPSLBXVRTED-RWMBFGLXSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470449 408573955 /nfs/dbraw/zinc/57/39/55/408573955.db2.gz VCZWPRXSMCASAO-DOMZBBRYSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192527359 408602497 /nfs/dbraw/zinc/60/24/97/408602497.db2.gz JXLJHLUYDCBTEC-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177980428 408749579 /nfs/dbraw/zinc/74/95/79/408749579.db2.gz GWYZBSVMSUTXLU-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO CCN(C)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000185183705 408776812 /nfs/dbraw/zinc/77/68/12/408776812.db2.gz UYLOJJWSSSTHKN-UHFFFAOYSA-N 1 1 311.338 1.180 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000250146521 408776958 /nfs/dbraw/zinc/77/69/58/408776958.db2.gz ZXASDKLSINTJPX-ZWNOBZJWSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000250146521 408776961 /nfs/dbraw/zinc/77/69/61/408776961.db2.gz ZXASDKLSINTJPX-ZWNOBZJWSA-N 1 1 310.350 1.815 20 5 DDBDMO C[C@H](O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000281367907 408884277 /nfs/dbraw/zinc/88/42/77/408884277.db2.gz OICSYSOMQITISU-NSHDSACASA-N 1 1 319.365 1.364 20 5 DDBDMO C[C@H](CO)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000276184966 408824470 /nfs/dbraw/zinc/82/44/70/408824470.db2.gz KUUOSNRVLYCABC-ZJUUUORDSA-N 1 1 302.758 1.812 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000290780821 408830573 /nfs/dbraw/zinc/83/05/73/408830573.db2.gz MXICEMYAPLZDIB-LBPRGKRZSA-N 1 1 324.333 1.215 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000291614651 408895523 /nfs/dbraw/zinc/89/55/23/408895523.db2.gz AJALGSFWMRNDGH-MRXNPFEDSA-N 1 1 318.377 1.486 20 5 DDBDMO Cc1cnc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281735020 408919541 /nfs/dbraw/zinc/91/95/41/408919541.db2.gz WLVHAMWPPPOXGG-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000227650793 163339078 /nfs/dbraw/zinc/33/90/78/163339078.db2.gz JFLGLJUACKKVPX-MWLCHTKSSA-N 1 1 312.757 1.918 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310706 409017890 /nfs/dbraw/zinc/01/78/90/409017890.db2.gz JKGPJECJYBQGSE-GXTWGEPZSA-N 1 1 312.366 1.427 20 5 DDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1=CC[N@@H+](C)CC1 ZINC000283246637 409120885 /nfs/dbraw/zinc/12/08/85/409120885.db2.gz UJYXDYAEQRZHCZ-SECBINFHSA-N 1 1 322.340 1.696 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000284328677 409320948 /nfs/dbraw/zinc/32/09/48/409320948.db2.gz KOYJWIPLSYPJBD-JKSUJKDBSA-N 1 1 305.378 1.808 20 5 DDBDMO Cc1nc(N[C@H](C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000295117094 409330601 /nfs/dbraw/zinc/33/06/01/409330601.db2.gz WDYQQQWUWXUDEC-LLVKDONJSA-N 1 1 308.386 1.131 20 5 DDBDMO C[N@@H+](C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000290493129 409421553 /nfs/dbraw/zinc/42/15/53/409421553.db2.gz ABHJPSJNCPVFDR-AWEZNQCLSA-N 1 1 321.377 1.113 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290501280 409424175 /nfs/dbraw/zinc/42/41/75/409424175.db2.gz ASWZBRGHZRGWAD-NSHDSACASA-N 1 1 321.381 1.399 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318746113 164033622 /nfs/dbraw/zinc/03/36/22/164033622.db2.gz YGRJQQHAHLLALN-SNVBAGLBSA-N 1 1 310.329 1.482 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000321888210 164046208 /nfs/dbraw/zinc/04/62/08/164046208.db2.gz RMGHKINCVIRRAP-NEPJUHHUSA-N 1 1 318.377 1.993 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000322499187 164047110 /nfs/dbraw/zinc/04/71/10/164047110.db2.gz DAYWAOMJMLQIMJ-LBPRGKRZSA-N 1 1 322.365 1.039 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285541914 409482730 /nfs/dbraw/zinc/48/27/30/409482730.db2.gz PZZIZOXYCJKZLJ-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285541914 409482734 /nfs/dbraw/zinc/48/27/34/409482734.db2.gz PZZIZOXYCJKZLJ-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544126 409484599 /nfs/dbraw/zinc/48/45/99/409484599.db2.gz LTFAWMFIKYHEBD-UHFFFAOYSA-N 1 1 323.397 1.902 20 5 DDBDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000304004249 409560469 /nfs/dbraw/zinc/56/04/69/409560469.db2.gz SHSUFFFAIANROW-GFCCVEGCSA-N 1 1 321.377 1.575 20 5 DDBDMO COc1c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356728516 409554021 /nfs/dbraw/zinc/55/40/21/409554021.db2.gz FEOUQDHGNLNESO-PWSUYJOCSA-N 1 1 307.350 1.816 20 5 DDBDMO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000342423409 409621478 /nfs/dbraw/zinc/62/14/78/409621478.db2.gz RDXKGXZGFCKXER-CQSZACIVSA-N 1 1 317.320 1.920 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000354001356 409591723 /nfs/dbraw/zinc/59/17/23/409591723.db2.gz OAEONKCSVDAKMX-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000357029291 409808178 /nfs/dbraw/zinc/80/81/78/409808178.db2.gz CSFDTOJKCUYDAP-QWHCGFSZSA-N 1 1 320.393 1.866 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346490420 409986731 /nfs/dbraw/zinc/98/67/31/409986731.db2.gz PKAULCXZMRVPSE-ZDUSSCGKSA-N 1 1 305.334 1.280 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346490420 409986737 /nfs/dbraw/zinc/98/67/37/409986737.db2.gz PKAULCXZMRVPSE-ZDUSSCGKSA-N 1 1 305.334 1.280 20 5 DDBDMO NC(=O)c1cccc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000343056653 410109734 /nfs/dbraw/zinc/10/97/34/410109734.db2.gz VPIAWAPKEXGBOO-SECBINFHSA-N 1 1 301.306 1.317 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000332599259 410191486 /nfs/dbraw/zinc/19/14/86/410191486.db2.gz IPGFPMLUOVHJEM-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000332599259 410191488 /nfs/dbraw/zinc/19/14/88/410191488.db2.gz IPGFPMLUOVHJEM-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000339628530 410341546 /nfs/dbraw/zinc/34/15/46/410341546.db2.gz ZLZULTAGWZBONX-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000347367527 410498175 /nfs/dbraw/zinc/49/81/75/410498175.db2.gz WVGBEEOSICRMHI-NSHDSACASA-N 1 1 307.354 1.075 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000339883949 410529325 /nfs/dbraw/zinc/52/93/25/410529325.db2.gz GYHVUZSMRQRZGM-LBPRGKRZSA-N 1 1 306.366 1.851 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1C ZINC000359177615 410567407 /nfs/dbraw/zinc/56/74/07/410567407.db2.gz ZBGLJAWKXRQCQV-UHFFFAOYSA-N 1 1 307.350 1.736 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000300405247 410644220 /nfs/dbraw/zinc/64/42/20/410644220.db2.gz JFLGLJUACKKVPX-ONGXEEELSA-N 1 1 312.757 1.918 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586577 410800034 /nfs/dbraw/zinc/80/00/34/410800034.db2.gz LSOFUORHDRJYCT-STQMWFEESA-N 1 1 320.393 1.582 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000301965063 410836067 /nfs/dbraw/zinc/83/60/67/410836067.db2.gz NYLVWFLPOBHREF-NWDGAFQWSA-N 1 1 316.365 1.558 20 5 DDBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000348184835 410842575 /nfs/dbraw/zinc/84/25/75/410842575.db2.gz IUSOZJXTNWPYFS-UHFFFAOYSA-N 1 1 308.338 1.673 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344032848 410908266 /nfs/dbraw/zinc/90/82/66/410908266.db2.gz DXYADTZBPRABOV-BVIHXZOGSA-N 1 1 319.361 1.625 20 5 DDBDMO CC[N@@H+](CCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000348349840 410928405 /nfs/dbraw/zinc/92/84/05/410928405.db2.gz XSIOETIFWSUPDB-UHFFFAOYSA-N 1 1 323.349 1.597 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344143398 410987685 /nfs/dbraw/zinc/98/76/85/410987685.db2.gz BQBAGPBVVZNXQB-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344143398 410987693 /nfs/dbraw/zinc/98/76/93/410987693.db2.gz BQBAGPBVVZNXQB-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336574 226121865 /nfs/dbraw/zinc/12/18/65/226121865.db2.gz XHRUDGNGMWGPDC-KGLIPLIRSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336574 226121868 /nfs/dbraw/zinc/12/18/68/226121868.db2.gz XHRUDGNGMWGPDC-KGLIPLIRSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336574 226121871 /nfs/dbraw/zinc/12/18/71/226121871.db2.gz XHRUDGNGMWGPDC-KGLIPLIRSA-N 1 1 307.394 1.524 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373737043 418454956 /nfs/dbraw/zinc/45/49/56/418454956.db2.gz FMRWXBWBEOBUHG-AEGPPILISA-N 1 1 303.362 1.989 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373929505 418474669 /nfs/dbraw/zinc/47/46/69/418474669.db2.gz ORJPRKPDEMNBOV-STQMWFEESA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000366510593 418483830 /nfs/dbraw/zinc/48/38/30/418483830.db2.gz HCBBNGFVXDQOSM-OAHLLOKOSA-N 1 1 305.378 1.810 20 5 DDBDMO COc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366851650 418526353 /nfs/dbraw/zinc/52/63/53/418526353.db2.gz MNHPUZOVLRBBQG-CYBMUJFWSA-N 1 1 307.350 1.514 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193200115 222146471 /nfs/dbraw/zinc/14/64/71/222146471.db2.gz KPIQLLVZWKTPMG-LBPRGKRZSA-N 1 1 318.377 1.878 20 5 DDBDMO CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000193373581 222152153 /nfs/dbraw/zinc/15/21/53/222152153.db2.gz VBMDRNQDTWVQCW-UHFFFAOYSA-N 1 1 303.322 1.343 20 5 DDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348790 222330097 /nfs/dbraw/zinc/33/00/97/222330097.db2.gz XQHMJHLNLMXWPD-TZMCWYRMSA-N 1 1 312.366 1.691 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465873 418643817 /nfs/dbraw/zinc/64/38/17/418643817.db2.gz RDCJRECYZAMPKC-JTQLQIEISA-N 1 1 318.337 1.578 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465873 418643820 /nfs/dbraw/zinc/64/38/20/418643820.db2.gz RDCJRECYZAMPKC-JTQLQIEISA-N 1 1 318.337 1.578 20 5 DDBDMO C[C@@H]1COCCN1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610810 418661292 /nfs/dbraw/zinc/66/12/92/418661292.db2.gz HDTQXXZUGZGHKB-KGLIPLIRSA-N 1 1 323.397 1.149 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587115 418688216 /nfs/dbraw/zinc/68/82/16/418688216.db2.gz UWNFTDBMEYHTSN-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000361744153 418704828 /nfs/dbraw/zinc/70/48/28/418704828.db2.gz MGWVXCOUINEDQL-JTQLQIEISA-N 1 1 313.379 1.409 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182338 418791374 /nfs/dbraw/zinc/79/13/74/418791374.db2.gz JJSXAAJFPIDZKI-NWDGAFQWSA-N 1 1 306.366 1.632 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408386112 418800666 /nfs/dbraw/zinc/80/06/66/418800666.db2.gz NPFRGCFYIJJTNM-NSHDSACASA-N 1 1 316.365 1.855 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411236189 418882990 /nfs/dbraw/zinc/88/29/90/418882990.db2.gz KSFJBZXFJCZKTR-ZDUSSCGKSA-N 1 1 321.333 1.561 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411236189 418882992 /nfs/dbraw/zinc/88/29/92/418882992.db2.gz KSFJBZXFJCZKTR-ZDUSSCGKSA-N 1 1 321.333 1.561 20 5 DDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000365647244 418887261 /nfs/dbraw/zinc/88/72/61/418887261.db2.gz CCUJVAGKXRWPJG-UHFFFAOYSA-N 1 1 317.305 1.438 20 5 DDBDMO COC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411357052 418896027 /nfs/dbraw/zinc/89/60/27/418896027.db2.gz UXZPIKPGDOTXLF-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO COC(=O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411357052 418896029 /nfs/dbraw/zinc/89/60/29/418896029.db2.gz UXZPIKPGDOTXLF-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365840937 418915357 /nfs/dbraw/zinc/91/53/57/418915357.db2.gz XBJOLLCGFALCMQ-MEDUHNTESA-N 1 1 319.361 1.769 20 5 DDBDMO CN1C[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000365852769 418916153 /nfs/dbraw/zinc/91/61/53/418916153.db2.gz XVZKOPSXLIVMEK-ZDUSSCGKSA-N 1 1 320.349 1.025 20 5 DDBDMO CN1C[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000365852769 418916154 /nfs/dbraw/zinc/91/61/54/418916154.db2.gz XVZKOPSXLIVMEK-ZDUSSCGKSA-N 1 1 320.349 1.025 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365870514 418918469 /nfs/dbraw/zinc/91/84/69/418918469.db2.gz PSHBIKQDZYWVIR-SNVBAGLBSA-N 1 1 311.363 1.451 20 5 DDBDMO COC(=O)[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000373184762 418930957 /nfs/dbraw/zinc/93/09/57/418930957.db2.gz XKQRDGBDSMYJOL-SNVBAGLBSA-N 1 1 308.338 1.103 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000373184762 418930958 /nfs/dbraw/zinc/93/09/58/418930958.db2.gz XKQRDGBDSMYJOL-SNVBAGLBSA-N 1 1 308.338 1.103 20 5 DDBDMO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000420929042 419362749 /nfs/dbraw/zinc/36/27/49/419362749.db2.gz CWIWUFXIQKVODG-CQSZACIVSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000420929042 419362753 /nfs/dbraw/zinc/36/27/53/419362753.db2.gz CWIWUFXIQKVODG-CQSZACIVSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000426481027 419483333 /nfs/dbraw/zinc/48/33/33/419483333.db2.gz DKKVTVPHBPZAMK-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2COC)ccc1[N+](=O)[O-] ZINC000411916321 419484964 /nfs/dbraw/zinc/48/49/64/419484964.db2.gz YGGCIHJJHWHZGH-STQMWFEESA-N 1 1 310.350 1.575 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@H]2COC)ccc1[N+](=O)[O-] ZINC000411916321 419484973 /nfs/dbraw/zinc/48/49/73/419484973.db2.gz YGGCIHJJHWHZGH-STQMWFEESA-N 1 1 310.350 1.575 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421010950 419448692 /nfs/dbraw/zinc/44/86/92/419448692.db2.gz DBFUSZYEFKYTHY-WFASDCNBSA-N 1 1 308.334 1.199 20 5 DDBDMO O=[N+]([O-])c1cnn(Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000421219353 419525283 /nfs/dbraw/zinc/52/52/83/419525283.db2.gz UVWURPNBAJKRIN-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411951940 419516729 /nfs/dbraw/zinc/51/67/29/419516729.db2.gz PEZIPJGGACUOIU-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000412029100 419574013 /nfs/dbraw/zinc/57/40/13/419574013.db2.gz COODFZNKXOBVAJ-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000412029100 419574023 /nfs/dbraw/zinc/57/40/23/419574023.db2.gz COODFZNKXOBVAJ-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000427058709 419589058 /nfs/dbraw/zinc/58/90/58/419589058.db2.gz FIPLTUINBOLBGI-GXFFZTMASA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412072592 419625340 /nfs/dbraw/zinc/62/53/40/419625340.db2.gz HJLUJOKWROZUNS-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412072592 419625344 /nfs/dbraw/zinc/62/53/44/419625344.db2.gz HJLUJOKWROZUNS-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005577 419961238 /nfs/dbraw/zinc/96/12/38/419961238.db2.gz MNMRJNRJCPYETF-UPJWGTAASA-N 1 1 307.398 1.490 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(F)(F)C[NH3+] ZINC000415290269 420008874 /nfs/dbraw/zinc/00/88/74/420008874.db2.gz CZQJIKNKWGIQCH-UHFFFAOYSA-N 1 1 302.281 1.927 20 5 DDBDMO CC(=O)c1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418991943 420039706 /nfs/dbraw/zinc/03/97/06/420039706.db2.gz FFMVPCCEODGBFM-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418991943 420039708 /nfs/dbraw/zinc/03/97/08/420039708.db2.gz FFMVPCCEODGBFM-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289729 420306993 /nfs/dbraw/zinc/30/69/93/420306993.db2.gz FVYPLCBYYBZAGA-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289729 420306998 /nfs/dbraw/zinc/30/69/98/420306998.db2.gz FVYPLCBYYBZAGA-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO CC(C)[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000420613906 420332128 /nfs/dbraw/zinc/33/21/28/420332128.db2.gz UPGZTDIQWAYYGE-CYBMUJFWSA-N 1 1 306.366 1.470 20 5 DDBDMO Cc1cccc(NC[C@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302523193 230284175 /nfs/dbraw/zinc/28/41/75/230284175.db2.gz YSGDEQRMLQARBS-HNNXBMFYSA-N 1 1 309.366 1.398 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@H](NC(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000492874499 420696741 /nfs/dbraw/zinc/69/67/41/420696741.db2.gz PQUFSJKTSICSNE-LBPRGKRZSA-N 1 1 322.365 1.497 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000492874499 420696744 /nfs/dbraw/zinc/69/67/44/420696744.db2.gz PQUFSJKTSICSNE-LBPRGKRZSA-N 1 1 322.365 1.497 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000453038724 420706392 /nfs/dbraw/zinc/70/63/92/420706392.db2.gz QNEVXAKTFKROCU-RISCZKNCSA-N 1 1 321.402 1.849 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000444830512 420758538 /nfs/dbraw/zinc/75/85/38/420758538.db2.gz WNTPDWJZGCATNH-OLZOCXBDSA-N 1 1 308.382 1.498 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459654246 420841525 /nfs/dbraw/zinc/84/15/25/420841525.db2.gz YXTDVRKJQCTBOK-HNNXBMFYSA-N 1 1 310.350 1.313 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459654246 420841529 /nfs/dbraw/zinc/84/15/29/420841529.db2.gz YXTDVRKJQCTBOK-HNNXBMFYSA-N 1 1 310.350 1.313 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000447816464 420803361 /nfs/dbraw/zinc/80/33/61/420803361.db2.gz KYQMNOQDZMHFPG-GFCCVEGCSA-N 1 1 321.381 1.621 20 5 DDBDMO COc1nccnc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000449288032 420983242 /nfs/dbraw/zinc/98/32/42/420983242.db2.gz MEBIDULHONNOLZ-UHFFFAOYSA-N 1 1 318.337 1.427 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725756 421108457 /nfs/dbraw/zinc/10/84/57/421108457.db2.gz BDKBKHIBIKDFHE-NEPJUHHUSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000564362040 421583851 /nfs/dbraw/zinc/58/38/51/421583851.db2.gz GGUUZJVXJNHHOG-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000564362040 421583852 /nfs/dbraw/zinc/58/38/52/421583852.db2.gz GGUUZJVXJNHHOG-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000572301298 421776481 /nfs/dbraw/zinc/77/64/81/421776481.db2.gz ASCGHSFVYGHJLO-LBPRGKRZSA-N 1 1 303.362 1.821 20 5 DDBDMO CC[N@H+]1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587415712 422313885 /nfs/dbraw/zinc/31/38/85/422313885.db2.gz CXVPGNLHSLTFFC-JTQLQIEISA-N 1 1 317.349 2.140 20 5 DDBDMO Nc1n[nH]c(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000595489421 422357890 /nfs/dbraw/zinc/35/78/90/422357890.db2.gz RZZLJVHIKSERCN-UHFFFAOYSA-N 1 1 320.328 1.814 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000345573942 272281865 /nfs/dbraw/zinc/28/18/65/272281865.db2.gz VNXGISYBOGFQRD-LLVKDONJSA-N 1 1 323.397 1.732 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000345660051 272298162 /nfs/dbraw/zinc/29/81/62/272298162.db2.gz RWOOTRNCPRTPGY-UHFFFAOYSA-N 1 1 314.345 1.967 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229193 272439686 /nfs/dbraw/zinc/43/96/86/272439686.db2.gz ROXQSCVDGWXFEA-QJPTWQEYSA-N 1 1 307.350 1.990 20 5 DDBDMO COc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000291128551 274097007 /nfs/dbraw/zinc/09/70/07/274097007.db2.gz MXBKWFUZGXUWBM-TZMCWYRMSA-N 1 1 321.377 1.903 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275333431 274271397 /nfs/dbraw/zinc/27/13/97/274271397.db2.gz GKGNAUPGRWGQCN-WDEREUQCSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275333431 274271398 /nfs/dbraw/zinc/27/13/98/274271398.db2.gz GKGNAUPGRWGQCN-WDEREUQCSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450953398 274348839 /nfs/dbraw/zinc/34/88/39/274348839.db2.gz KSILNOSYEAUHGU-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CC)C(=O)OCC ZINC000276805861 276000247 /nfs/dbraw/zinc/00/02/47/276000247.db2.gz MPDWFXUHUJMPKI-LBPRGKRZSA-N 1 1 312.370 1.845 20 5 DDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CC)C(=O)OCC ZINC000276805861 276000251 /nfs/dbraw/zinc/00/02/51/276000251.db2.gz MPDWFXUHUJMPKI-LBPRGKRZSA-N 1 1 312.370 1.845 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000408067468 280187668 /nfs/dbraw/zinc/18/76/68/280187668.db2.gz CJMRCJROSMYFFF-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO Cc1c(CC(=O)NC[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000121834977 281145361 /nfs/dbraw/zinc/14/53/61/281145361.db2.gz DCRGXJORCLALAC-CYBMUJFWSA-N 1 1 305.378 1.904 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000362471779 300072144 /nfs/dbraw/zinc/07/21/44/300072144.db2.gz SSNJAWXJCZQIKV-CQSZACIVSA-N 1 1 321.377 1.505 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000363616941 300287914 /nfs/dbraw/zinc/28/79/14/300287914.db2.gz YRKJPJBDRCESJV-LSDHHAIUSA-N 1 1 321.352 1.572 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000364307974 300373288 /nfs/dbraw/zinc/37/32/88/300373288.db2.gz NTTLXUNWYNSWHL-HZMBPMFUSA-N 1 1 304.350 1.343 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[NH+]([C@H]3CCOC3)CC1)CCN2 ZINC000365543897 300531526 /nfs/dbraw/zinc/53/15/26/300531526.db2.gz GMNOXYGOOAPARD-LBPRGKRZSA-N 1 1 318.377 1.474 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952734 301109406 /nfs/dbraw/zinc/10/94/06/301109406.db2.gz XEMHFXPZGJHAJE-UGFHNGPFSA-N 1 1 319.361 1.559 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966166 301113001 /nfs/dbraw/zinc/11/30/01/301113001.db2.gz NLCHNDLEPWJAMO-CZUORRHYSA-N 1 1 323.393 1.017 20 5 DDBDMO CC(C)C[N@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000369695124 301213883 /nfs/dbraw/zinc/21/38/83/301213883.db2.gz LDNPLAWWWAAUHD-UHFFFAOYSA-N 1 1 320.393 1.862 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000370236437 301300314 /nfs/dbraw/zinc/30/03/14/301300314.db2.gz RCEPAPPMULVAHJ-CYBMUJFWSA-N 1 1 324.381 1.488 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742308 302361803 /nfs/dbraw/zinc/36/18/03/302361803.db2.gz WSYVZWMTDHNUPR-WDEREUQCSA-N 1 1 307.350 1.144 20 5 DDBDMO C[C@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000531143182 303232541 /nfs/dbraw/zinc/23/25/41/303232541.db2.gz QEXJAYAZUAPYJQ-ZDUSSCGKSA-N 1 1 304.350 1.674 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531912026 303265544 /nfs/dbraw/zinc/26/55/44/303265544.db2.gz QPXMKRKSUVLUTE-NWDGAFQWSA-N 1 1 309.370 1.384 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CC3=CCCOC3)CC2)cn1 ZINC000534336853 303331864 /nfs/dbraw/zinc/33/18/64/303331864.db2.gz PDCIIHDHSNXPPP-UHFFFAOYSA-N 1 1 304.350 1.459 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363939921 307038296 /nfs/dbraw/zinc/03/82/96/307038296.db2.gz VKHWGRNMCGBCGF-OLZOCXBDSA-N 1 1 319.361 1.960 20 5 DDBDMO CC[C@@H](C)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373248112 307182661 /nfs/dbraw/zinc/18/26/61/307182661.db2.gz WIVKSSIRKSMZCN-LLVKDONJSA-N 1 1 309.370 1.343 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373514606 307189676 /nfs/dbraw/zinc/18/96/76/307189676.db2.gz UYZVHVCRXBTXFZ-ZWNOBZJWSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373514606 307189677 /nfs/dbraw/zinc/18/96/77/307189677.db2.gz UYZVHVCRXBTXFZ-ZWNOBZJWSA-N 1 1 305.334 1.379 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000374220998 307204198 /nfs/dbraw/zinc/20/41/98/307204198.db2.gz TYMFFXVXVZLTPF-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375505426 307227090 /nfs/dbraw/zinc/22/70/90/307227090.db2.gz HBXSXRHXIBEXJV-NSHDSACASA-N 1 1 324.337 1.396 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425059414 307301760 /nfs/dbraw/zinc/30/17/60/307301760.db2.gz ROJXDTWQYLIMSY-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000572375681 308219835 /nfs/dbraw/zinc/21/98/35/308219835.db2.gz SZUIAXPZCLGTBV-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000572375681 308219836 /nfs/dbraw/zinc/21/98/36/308219836.db2.gz SZUIAXPZCLGTBV-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000572375681 308219837 /nfs/dbraw/zinc/21/98/37/308219837.db2.gz SZUIAXPZCLGTBV-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192652 308273283 /nfs/dbraw/zinc/27/32/83/308273283.db2.gz JMIKJCRHCFVURF-NEPJUHHUSA-N 1 1 319.365 1.002 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000577371152 308382906 /nfs/dbraw/zinc/38/29/06/308382906.db2.gz QCUXFOWPIWFNHI-JTQLQIEISA-N 1 1 304.306 1.363 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000582530248 337105482 /nfs/dbraw/zinc/10/54/82/337105482.db2.gz MEGHEPXOYKGIJW-JTQLQIEISA-N 1 1 307.354 1.103 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000434699914 533790451 /nfs/dbraw/zinc/79/04/51/533790451.db2.gz PCULDAGAXRRPHI-ZDUSSCGKSA-N 1 1 323.393 1.756 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000413448065 534245212 /nfs/dbraw/zinc/24/52/12/534245212.db2.gz WIPSJWPFJVCANC-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330973387 527852155 /nfs/dbraw/zinc/85/21/55/527852155.db2.gz KUFMPEPZBBQCFZ-OAHLLOKOSA-N 1 1 320.393 1.805 20 5 DDBDMO CC(C)[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000459473942 527950103 /nfs/dbraw/zinc/95/01/03/527950103.db2.gz DPLXVKFZIJQAQS-AWEZNQCLSA-N 1 1 305.338 1.461 20 5 DDBDMO C[C@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000736024923 598522576 /nfs/dbraw/zinc/52/25/76/598522576.db2.gz CIPURFGQGBRUNO-SECBINFHSA-N 1 1 317.353 1.670 20 5 DDBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826023091 608587138 /nfs/dbraw/zinc/58/71/38/608587138.db2.gz XCSBFCSEXSPGGU-UHFFFAOYSA-N 1 1 315.337 1.449 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153920745 696923524 /nfs/dbraw/zinc/92/35/24/696923524.db2.gz WOEMMHMHEKODFY-NHYWBVRUSA-N 1 1 322.361 1.902 20 5 DDBDMO CCOC[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000177629425 697414495 /nfs/dbraw/zinc/41/44/95/697414495.db2.gz JPZHQFUPNRQVLF-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000177629425 697414497 /nfs/dbraw/zinc/41/44/97/697414497.db2.gz JPZHQFUPNRQVLF-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO COCCO[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000179333388 697436375 /nfs/dbraw/zinc/43/63/75/697436375.db2.gz SYZLMZACQIPKTC-CVEARBPZSA-N 1 1 324.377 1.756 20 5 DDBDMO COCC(=O)N1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000985189318 697465003 /nfs/dbraw/zinc/46/50/03/697465003.db2.gz LHYFLXGDPJELNL-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000194731297 697719049 /nfs/dbraw/zinc/71/90/49/697719049.db2.gz VDNBNMMSYIWDFL-LLVKDONJSA-N 1 1 322.321 1.635 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000776582958 698121618 /nfs/dbraw/zinc/12/16/18/698121618.db2.gz XSCFOWVCVMUPSE-ZFWWWQNUSA-N 1 1 322.361 1.713 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776590431 698123526 /nfs/dbraw/zinc/12/35/26/698123526.db2.gz DNNCWUIJMPFJST-HONMWMINSA-N 1 1 308.334 1.369 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596662 698124699 /nfs/dbraw/zinc/12/46/99/698124699.db2.gz HKDQJZHPLPYYDN-CQSZACIVSA-N 1 1 309.366 1.332 20 5 DDBDMO O=C1OCC[C@@H]1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246983604 698358854 /nfs/dbraw/zinc/35/88/54/698358854.db2.gz QAGWSUMBXJLCBW-NWDGAFQWSA-N 1 1 320.349 1.429 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783628718 698861984 /nfs/dbraw/zinc/86/19/84/698861984.db2.gz LSDHOPSENFJARQ-GFCCVEGCSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783628718 698861987 /nfs/dbraw/zinc/86/19/87/698861987.db2.gz LSDHOPSENFJARQ-GFCCVEGCSA-N 1 1 312.801 1.584 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000704801727 699238271 /nfs/dbraw/zinc/23/82/71/699238271.db2.gz KGWMTHYDMGQLJM-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000704801727 699238274 /nfs/dbraw/zinc/23/82/74/699238274.db2.gz KGWMTHYDMGQLJM-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000787960884 699260971 /nfs/dbraw/zinc/26/09/71/699260971.db2.gz IWOIXXZWNAFLFV-AWEZNQCLSA-N 1 1 323.349 1.663 20 5 DDBDMO C[N@H+](CCCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000788278130 699296621 /nfs/dbraw/zinc/29/66/21/699296621.db2.gz CHNPRCDBCUAMLI-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[N@@H+](CCCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000788278130 699296624 /nfs/dbraw/zinc/29/66/24/699296624.db2.gz CHNPRCDBCUAMLI-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC)C[C@@H]21 ZINC000794953208 699837660 /nfs/dbraw/zinc/83/76/60/699837660.db2.gz PYNBRNKXYOSSLR-IMRBUKKESA-N 1 1 306.318 1.454 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC)C[C@@H]21 ZINC000794953208 699837663 /nfs/dbraw/zinc/83/76/63/699837663.db2.gz PYNBRNKXYOSSLR-IMRBUKKESA-N 1 1 306.318 1.454 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[NH+]1CCOCC1 ZINC000801567963 700322771 /nfs/dbraw/zinc/32/27/71/700322771.db2.gz OOTRKKLKFXPBAI-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761067603 700838069 /nfs/dbraw/zinc/83/80/69/700838069.db2.gz FYWYKDJWQKISFF-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000761075716 700839736 /nfs/dbraw/zinc/83/97/36/700839736.db2.gz LHYAAAOGCITWNF-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1C ZINC000761075716 700839739 /nfs/dbraw/zinc/83/97/39/700839739.db2.gz LHYAAAOGCITWNF-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761079111 700840621 /nfs/dbraw/zinc/84/06/21/700840621.db2.gz PSULDHKXYGXESO-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804460814 701191713 /nfs/dbraw/zinc/19/17/13/701191713.db2.gz AFBNRVXYTHBGPN-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839718435 701795791 /nfs/dbraw/zinc/79/57/91/701795791.db2.gz POWFVVJUBHXFIP-SJXGUFTOSA-N 1 1 317.389 1.773 20 5 DDBDMO CC(C)(CCc1noc([C@H]2CCn3cc[nH+]c3C2)n1)[N+](=O)[O-] ZINC000812815099 702246744 /nfs/dbraw/zinc/24/67/44/702246744.db2.gz YLDLBZJUVLMXJI-JTQLQIEISA-N 1 1 305.338 1.984 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817370097 702356394 /nfs/dbraw/zinc/35/63/94/702356394.db2.gz GTDSQGRWKGPMSZ-LLVKDONJSA-N 1 1 317.349 1.278 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844448729 703032897 /nfs/dbraw/zinc/03/28/97/703032897.db2.gz GSFHVDIUPZWQGM-RTXFEEFZSA-N 1 1 314.288 1.531 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000818959294 704035224 /nfs/dbraw/zinc/03/52/24/704035224.db2.gz HQCBESFHOLHNNH-ARFHVFGLSA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN3CCCC[C@H]23)c1 ZINC000818959294 704035230 /nfs/dbraw/zinc/03/52/30/704035230.db2.gz HQCBESFHOLHNNH-ARFHVFGLSA-N 1 1 305.378 1.845 20 5 DDBDMO C[C@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534770 704070132 /nfs/dbraw/zinc/07/01/32/704070132.db2.gz PNXFOWLMAUMQOX-RISCZKNCSA-N 1 1 307.306 1.971 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534770 704070135 /nfs/dbraw/zinc/07/01/35/704070135.db2.gz PNXFOWLMAUMQOX-RISCZKNCSA-N 1 1 307.306 1.971 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870861547 704148061 /nfs/dbraw/zinc/14/80/61/704148061.db2.gz BPPDIXCZNGWPER-UKRRQHHQSA-N 1 1 307.350 1.406 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000856733290 704535922 /nfs/dbraw/zinc/53/59/22/704535922.db2.gz WCRYVEJSIIWMFC-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000859585812 704943660 /nfs/dbraw/zinc/94/36/60/704943660.db2.gz CYNLNNOECVNSAF-MRXNPFEDSA-N 1 1 316.361 1.775 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859924611 705042566 /nfs/dbraw/zinc/04/25/66/705042566.db2.gz MLZGCFTWNYKWNT-CWRNSKLLSA-N 1 1 306.362 1.723 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845928 705200889 /nfs/dbraw/zinc/20/08/89/705200889.db2.gz YUROPSXLQFQSHA-GJZGRUSLSA-N 1 1 319.361 1.669 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000824221299 705402470 /nfs/dbraw/zinc/40/24/70/705402470.db2.gz FRPCMBBPWOBEGM-GFCCVEGCSA-N 1 1 323.397 1.288 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825682717 705713885 /nfs/dbraw/zinc/71/38/85/705713885.db2.gz BHPMLWLCTXRDFF-AWEZNQCLSA-N 1 1 307.350 1.229 20 5 DDBDMO Cn1cc(C[NH+]2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])n1 ZINC000876726682 705842045 /nfs/dbraw/zinc/84/20/45/705842045.db2.gz NLIHJUXRRXXWGJ-UHFFFAOYSA-N 1 1 310.354 1.303 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312339 705973494 /nfs/dbraw/zinc/97/34/94/705973494.db2.gz UNMORWJSMQSIBG-WCQYABFASA-N 1 1 318.377 1.652 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827320513 705975051 /nfs/dbraw/zinc/97/50/51/705975051.db2.gz RZBLQYDYIYZJMY-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000827675021 706047025 /nfs/dbraw/zinc/04/70/25/706047025.db2.gz NHDQVPLWNOXMCS-RISCZKNCSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000827675021 706047029 /nfs/dbraw/zinc/04/70/29/706047029.db2.gz NHDQVPLWNOXMCS-RISCZKNCSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000827808258 706070349 /nfs/dbraw/zinc/07/03/49/706070349.db2.gz XULJHHRWXLKRDA-GFCCVEGCSA-N 1 1 321.377 1.841 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1 ZINC000877836273 706227623 /nfs/dbraw/zinc/22/76/23/706227623.db2.gz SDDYOFMDYWTCHF-ZDUSSCGKSA-N 1 1 322.361 1.974 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879967129 706837134 /nfs/dbraw/zinc/83/71/34/706837134.db2.gz LFXVQQDPOZAALH-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880042640 706861931 /nfs/dbraw/zinc/86/19/31/706861931.db2.gz FOEFXJZKMMDECH-ZDUSSCGKSA-N 1 1 324.381 1.765 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H](C(F)(F)F)O1 ZINC000880056154 706865697 /nfs/dbraw/zinc/86/56/97/706865697.db2.gz CAELRYGIQQLFMN-NXEZZACHSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H](C(F)(F)F)O1 ZINC000880056154 706865700 /nfs/dbraw/zinc/86/57/00/706865700.db2.gz CAELRYGIQQLFMN-NXEZZACHSA-N 1 1 322.287 1.833 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832450857 706916949 /nfs/dbraw/zinc/91/69/49/706916949.db2.gz POVCLOHFRFQGCJ-LSDHHAIUSA-N 1 1 321.377 1.619 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438292 706976338 /nfs/dbraw/zinc/97/63/38/706976338.db2.gz AGZCQMCSYCZIKO-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438292 706976339 /nfs/dbraw/zinc/97/63/39/706976339.db2.gz AGZCQMCSYCZIKO-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880526041 707003718 /nfs/dbraw/zinc/00/37/18/707003718.db2.gz BIXFRWVOPSLYHB-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880526041 707003719 /nfs/dbraw/zinc/00/37/19/707003719.db2.gz BIXFRWVOPSLYHB-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781393 707597988 /nfs/dbraw/zinc/59/79/88/707597988.db2.gz SNOOOTIVEXZASB-RYUDHWBXSA-N 1 1 301.350 1.915 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000837549119 707678724 /nfs/dbraw/zinc/67/87/24/707678724.db2.gz ZGZIUDHJQSEHAV-UHFFFAOYSA-N 1 1 311.313 1.322 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)OCC[N@@H+](C)Cc2ccccc2)n1 ZINC000837611524 707695609 /nfs/dbraw/zinc/69/56/09/707695609.db2.gz DHNZIYUOGOUIEI-UHFFFAOYSA-N 1 1 318.333 1.617 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)CN1CCN(C)CC1 ZINC000873045485 707707458 /nfs/dbraw/zinc/70/74/58/707707458.db2.gz FVYUGOKFOSAJST-CQSZACIVSA-N 1 1 320.437 1.937 20 5 DDBDMO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619909 708099012 /nfs/dbraw/zinc/09/90/12/708099012.db2.gz OMGMOUBJDIKLFS-NEPJUHHUSA-N 1 1 306.366 1.702 20 5 DDBDMO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221296 708259348 /nfs/dbraw/zinc/25/93/48/708259348.db2.gz KYGCWZGFLOFPIZ-KGLIPLIRSA-N 1 1 321.377 1.639 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893267418 710583028 /nfs/dbraw/zinc/58/30/28/710583028.db2.gz YWGHRFYNGJDSBJ-CYBMUJFWSA-N 1 1 320.393 1.921 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000902425918 710750561 /nfs/dbraw/zinc/75/05/61/710750561.db2.gz PJRFRINHKONPGF-NSHDSACASA-N 1 1 318.333 1.787 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000902425918 710750566 /nfs/dbraw/zinc/75/05/66/710750566.db2.gz PJRFRINHKONPGF-NSHDSACASA-N 1 1 318.333 1.787 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893941815 710894994 /nfs/dbraw/zinc/89/49/94/710894994.db2.gz WWXPVMKHDVDUOZ-ZYHUDNBSSA-N 1 1 320.349 1.307 20 5 DDBDMO COc1cc([C@H](C)[NH2+]CCS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903084057 711027244 /nfs/dbraw/zinc/02/72/44/711027244.db2.gz ULDBKLCFNFOQFH-VIFPVBQESA-N 1 1 302.352 1.299 20 5 DDBDMO CON(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000895040701 711380801 /nfs/dbraw/zinc/38/08/01/711380801.db2.gz DHCNNKYPLQPAAA-UHFFFAOYSA-N 1 1 319.317 1.964 20 5 DDBDMO COc1cc(C[NH2+]C[C@@H]2CC(C)=NO2)c([N+](=O)[O-])cc1OC ZINC000895310487 711480575 /nfs/dbraw/zinc/48/05/75/711480575.db2.gz IBDPOICAAMDLOJ-NSHDSACASA-N 1 1 309.322 1.866 20 5 DDBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc1[N+](=O)[O-] ZINC000895567635 711544477 /nfs/dbraw/zinc/54/44/77/711544477.db2.gz GFEKGOCBMAVIJC-WDEREUQCSA-N 1 1 309.395 1.564 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896257519 711697237 /nfs/dbraw/zinc/69/72/37/711697237.db2.gz GSUBNGXWRSUAPB-ZDUSSCGKSA-N 1 1 321.377 1.662 20 5 DDBDMO C[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000905740083 712135517 /nfs/dbraw/zinc/13/55/17/712135517.db2.gz QOKGLQJXUDJCHC-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000905740083 712135520 /nfs/dbraw/zinc/13/55/20/712135520.db2.gz QOKGLQJXUDJCHC-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000917228684 713488466 /nfs/dbraw/zinc/48/84/66/713488466.db2.gz ZJMIPDVHVTWJMD-MRVPVSSYSA-N 1 1 316.155 1.613 20 5 DDBDMO C[N@H+]1CCC[C@@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000917228684 713488468 /nfs/dbraw/zinc/48/84/68/713488468.db2.gz ZJMIPDVHVTWJMD-MRVPVSSYSA-N 1 1 316.155 1.613 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931380449 714079542 /nfs/dbraw/zinc/07/95/42/714079542.db2.gz PLCMLEJVPJXDQH-NSHDSACASA-N 1 1 323.176 1.942 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931380449 714079543 /nfs/dbraw/zinc/07/95/43/714079543.db2.gz PLCMLEJVPJXDQH-NSHDSACASA-N 1 1 323.176 1.942 20 5 DDBDMO C[C@@H]1[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000922556756 714087990 /nfs/dbraw/zinc/08/79/90/714087990.db2.gz JKTKCGRYKMGLSF-PWSUYJOCSA-N 1 1 307.350 1.548 20 5 DDBDMO C[C@@H]1[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000922556756 714087992 /nfs/dbraw/zinc/08/79/92/714087992.db2.gz JKTKCGRYKMGLSF-PWSUYJOCSA-N 1 1 307.350 1.548 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000932930543 714439399 /nfs/dbraw/zinc/43/93/99/714439399.db2.gz CLHGXDZXMIJFIJ-UHFFFAOYSA-N 1 1 319.361 1.846 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000933756312 714665080 /nfs/dbraw/zinc/66/50/80/714665080.db2.gz SHEFGWGIUFBGDN-BBRMVZONSA-N 1 1 303.362 1.725 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117985 714746174 /nfs/dbraw/zinc/74/61/74/714746174.db2.gz QWTYMKBEIMBFFC-YRGRVCCFSA-N 1 1 310.350 1.444 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131116 714751541 /nfs/dbraw/zinc/75/15/41/714751541.db2.gz KBRRFIBMVMTPOZ-AEGPPILISA-N 1 1 310.350 1.444 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131119 714751579 /nfs/dbraw/zinc/75/15/79/714751579.db2.gz KBRRFIBMVMTPOZ-NWANDNLSSA-N 1 1 310.350 1.444 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778044 736849542 /nfs/dbraw/zinc/84/95/42/736849542.db2.gz PNDSMKGJUUBJDJ-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778044 736849546 /nfs/dbraw/zinc/84/95/46/736849546.db2.gz PNDSMKGJUUBJDJ-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778044 736849549 /nfs/dbraw/zinc/84/95/49/736849549.db2.gz PNDSMKGJUUBJDJ-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001120931191 782241829 /nfs/dbraw/zinc/24/18/29/782241829.db2.gz DWHPTDQANAUNBR-UHFFFAOYSA-N 1 1 313.361 1.893 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001121199297 782406059 /nfs/dbraw/zinc/40/60/59/782406059.db2.gz NWIVISKYVGODAB-QCZZGDTMSA-N 1 1 307.325 1.804 20 5 DDBDMO Cc1nsc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063951 734368172 /nfs/dbraw/zinc/36/81/72/734368172.db2.gz QNABSTYGPUJQLK-LSCVPOLPSA-N 1 1 324.406 1.162 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063698 734368299 /nfs/dbraw/zinc/36/82/99/734368299.db2.gz HYCAIANXMRTFIT-LXTVHRRPSA-N 1 1 303.362 1.131 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C(F)F ZINC001025643818 736807664 /nfs/dbraw/zinc/80/76/64/736807664.db2.gz DWXYNLGOHLFKFW-IAZYJMLFSA-N 1 1 311.288 1.406 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC(C)(C)C1CC1 ZINC001126716429 741803678 /nfs/dbraw/zinc/80/36/78/741803678.db2.gz JDURXMUWRSDGFE-UHFFFAOYSA-N 1 1 323.397 1.360 20 5 DDBDMO Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031661769 747336299 /nfs/dbraw/zinc/33/62/99/747336299.db2.gz HXFZXUWXDQLBJN-HZPDHXFCSA-N 1 1 317.389 1.251 20 5 DDBDMO O=C(NCC1C[NH+](CCC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663117 747338647 /nfs/dbraw/zinc/33/86/47/747338647.db2.gz VCNAOFJAZOZROM-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)/C=C/C(C)(C)C ZINC001124884159 748595169 /nfs/dbraw/zinc/59/51/69/748595169.db2.gz YBIUPJKCYGGLMY-AATRIKPKSA-N 1 1 309.370 1.136 20 5 DDBDMO CC(=O)N1CCCC[C@]12CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169030351 762186756 /nfs/dbraw/zinc/18/67/56/762186756.db2.gz YYQFHTZRXZOLFS-ARFHVFGLSA-N 1 1 309.410 1.909 20 5 DDBDMO CCn1nnc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2COC ZINC001169022284 762201011 /nfs/dbraw/zinc/20/10/11/762201011.db2.gz RQTAVOGLFBBUGT-OUCADQQQSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2COC ZINC001169022284 762201015 /nfs/dbraw/zinc/20/10/15/762201015.db2.gz RQTAVOGLFBBUGT-OUCADQQQSA-N 1 1 323.397 1.289 20 5 DDBDMO COC[C@H]1Cn2nccc2C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026721 762203418 /nfs/dbraw/zinc/20/34/18/762203418.db2.gz NLIUFLOZFOOPOV-MGPQQGTHSA-N 1 1 308.382 1.407 20 5 DDBDMO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020138860 760612943 /nfs/dbraw/zinc/61/29/43/760612943.db2.gz FHLCJGYUEJEFAD-KLHDSHLOSA-N 1 1 317.389 1.705 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170347547 766278221 /nfs/dbraw/zinc/27/82/21/766278221.db2.gz RTRXKOKQNNSVKK-ZYHUDNBSSA-N 1 1 307.350 1.342 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170900527 771898925 /nfs/dbraw/zinc/89/89/25/771898925.db2.gz VKSVOVPJBCVIDZ-JTQLQIEISA-N 1 1 308.260 1.929 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093787371 775078444 /nfs/dbraw/zinc/07/84/44/775078444.db2.gz AZIXQJXMWYVQIP-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(CC)c1ncccc1[N+](=O)[O-] ZINC001100576554 776320681 /nfs/dbraw/zinc/32/06/81/776320681.db2.gz IJCVMMSLTSAWJJ-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H](CO)[C@@H](O)C1)CC2 ZINC001172902309 776915747 /nfs/dbraw/zinc/91/57/47/776915747.db2.gz AKFINVJCANPYTF-INMHGKMJSA-N 1 1 320.389 1.517 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC(O)C3)CC2)c(F)c1 ZINC001173010130 776960122 /nfs/dbraw/zinc/96/01/22/776960122.db2.gz MRPBXFOHBRYOQE-UHFFFAOYSA-N 1 1 313.304 1.518 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nncn2CC1 ZINC001173219955 777052551 /nfs/dbraw/zinc/05/25/51/777052551.db2.gz ADLGVROIAJEPEF-LBPRGKRZSA-N 1 1 301.350 1.676 20 5 DDBDMO CC1(C)CC(=O)N1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001116816092 780563550 /nfs/dbraw/zinc/56/35/50/780563550.db2.gz PBWVAJVOMPYWNP-UHFFFAOYSA-N 1 1 307.354 1.397 20 5 DDBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001119386253 781430897 /nfs/dbraw/zinc/43/08/97/781430897.db2.gz GWPQUSZFQMLOLU-WDEREUQCSA-N 1 1 324.312 1.017 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119444482 781455377 /nfs/dbraw/zinc/45/53/77/781455377.db2.gz ZNNWWYYEQHIKAM-OAHLLOKOSA-N 1 1 318.377 1.757 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001119984888 781709466 /nfs/dbraw/zinc/70/94/66/781709466.db2.gz WZNLULNCDVLPPQ-CHWSQXEVSA-N 1 1 306.366 1.334 20 5 DDBDMO CN(C)c1[nH+]cc(CN2Cc3ccc([N+](=O)[O-])cc3C2)n1C ZINC001326684631 861540320 /nfs/dbraw/zinc/54/03/20/861540320.db2.gz ZXPJJCUYQPJODW-UHFFFAOYSA-N 1 1 301.350 1.910 20 5 DDBDMO O=[N+]([O-])C[C@@H](OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961843 881612692 /nfs/dbraw/zinc/61/26/92/881612692.db2.gz SBEBDIARCKVSJI-DLBZAZTESA-N 1 1 320.389 1.959 20 5 DDBDMO O=[N+]([O-])C[C@@H](OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961843 881612698 /nfs/dbraw/zinc/61/26/98/881612698.db2.gz SBEBDIARCKVSJI-DLBZAZTESA-N 1 1 320.389 1.959 20 5 DDBDMO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277013063 881658936 /nfs/dbraw/zinc/65/89/36/881658936.db2.gz AVNBOXVVOVEORS-WZUFQYTHSA-N 1 1 321.381 1.423 20 5 DDBDMO C[N@@H+]1CCC[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001157264856 863693046 /nfs/dbraw/zinc/69/30/46/863693046.db2.gz GEPSZCIJDYKNPW-KOLCDFICSA-N 1 1 312.757 1.412 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001157264856 863693050 /nfs/dbraw/zinc/69/30/50/863693050.db2.gz GEPSZCIJDYKNPW-KOLCDFICSA-N 1 1 312.757 1.412 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC1C[NH+](C(C)C)C1 ZINC001157531526 863894649 /nfs/dbraw/zinc/89/46/49/863894649.db2.gz NDWYKDZOBAAVSD-UHFFFAOYSA-N 1 1 308.338 1.671 20 5 DDBDMO COc1cc(C(=O)NCC[NH+]2CC=CC2)c([N+](=O)[O-])cc1OC ZINC001330810268 864622787 /nfs/dbraw/zinc/62/27/87/864622787.db2.gz TYMQPHVGCMGDSM-UHFFFAOYSA-N 1 1 321.333 1.214 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC001158566179 864732825 /nfs/dbraw/zinc/73/28/25/864732825.db2.gz AYRXNIMNUFEXKB-UHFFFAOYSA-N 1 1 307.354 1.373 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001160152792 865701812 /nfs/dbraw/zinc/70/18/12/865701812.db2.gz GJVWUGCKOLYUEC-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1nc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160721463 866065551 /nfs/dbraw/zinc/06/55/51/866065551.db2.gz YUSPWAUVMWAWBT-JSGCOSHPSA-N 1 1 306.366 1.963 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@H](O)[C@@H](F)CC2)ncc1[N+](=O)[O-] ZINC001164237333 869046353 /nfs/dbraw/zinc/04/63/53/869046353.db2.gz JHXOLOBMZRCXDI-XXAOMFGQSA-N 1 1 324.356 1.821 20 5 DDBDMO [NH3+][C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CCC1(F)F ZINC001164323901 869127588 /nfs/dbraw/zinc/12/75/88/869127588.db2.gz ONDOFWXRJNPDAC-SSDOTTSWSA-N 1 1 308.672 1.054 20 5 DDBDMO Cc1ncc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001164494281 869231583 /nfs/dbraw/zinc/23/15/83/869231583.db2.gz CYVXUPGRTPDPKC-CHWSQXEVSA-N 1 1 322.365 1.024 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC001298101788 870278610 /nfs/dbraw/zinc/27/86/10/870278610.db2.gz AJJNPSZBJPPSEO-MRXNPFEDSA-N 1 1 318.377 1.856 20 5 DDBDMO COc1cccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001339177414 870388542 /nfs/dbraw/zinc/38/85/42/870388542.db2.gz YXOIZOKHOHPASY-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)n1 ZINC001339997520 870830746 /nfs/dbraw/zinc/83/07/46/870830746.db2.gz CPOXNOCVLVEBJF-OUAUKWLOSA-N 1 1 320.349 1.529 20 5 DDBDMO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001317584992 871143252 /nfs/dbraw/zinc/14/32/52/871143252.db2.gz LSFZZKYNZFFMMG-HUUCEWRRSA-N 1 1 305.378 1.517 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)n1 ZINC001306925522 871381396 /nfs/dbraw/zinc/38/13/96/871381396.db2.gz KVZJWOKKDXGZKZ-UHFFFAOYSA-N 1 1 301.350 1.799 20 5 DDBDMO CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224672 871442769 /nfs/dbraw/zinc/44/27/69/871442769.db2.gz WEXJYHMMVRYBPO-LRPXVYOUSA-N 1 1 309.410 1.836 20 5 DDBDMO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001345719711 873487763 /nfs/dbraw/zinc/48/77/63/873487763.db2.gz PHZLXQIRIZAJEB-SMDDNHRTSA-N 1 1 321.381 1.351 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001349696120 875310284 /nfs/dbraw/zinc/31/02/84/875310284.db2.gz ZFCMKJFTIVKZTG-LEWSCRJBSA-N 1 1 319.361 1.673 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227465800 883033230 /nfs/dbraw/zinc/03/32/30/883033230.db2.gz JSXVPMQJEYLEDI-LLVKDONJSA-N 1 1 311.294 1.603 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001300264569 877259510 /nfs/dbraw/zinc/25/95/10/877259510.db2.gz JSLMUZSUJRXSQW-UHFFFAOYSA-N 1 1 308.382 1.885 20 5 DDBDMO Cc1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c([N+](=O)[O-])c1 ZINC001354397144 877948617 /nfs/dbraw/zinc/94/86/17/877948617.db2.gz YMQRXWLWHFPAND-XJKSGUPXSA-N 1 1 321.377 1.541 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CO[C@@H](C)C[NH+]1CCOCC1 ZINC001223103608 880829835 /nfs/dbraw/zinc/82/98/35/880829835.db2.gz CXDWMJKQVAGEPP-LBPRGKRZSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CO[C@@H](C)C[NH+]1CCOCC1 ZINC001223944144 881157562 /nfs/dbraw/zinc/15/75/62/881157562.db2.gz XPELJJNZNVVRKS-LBPRGKRZSA-N 1 1 310.350 1.841 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018375 883290184 /nfs/dbraw/zinc/29/01/84/883290184.db2.gz YDTDUGQQIVEVSQ-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCNC2(CC[NH2+]CC2)C1 ZINC001246606871 892732437 /nfs/dbraw/zinc/73/24/37/892732437.db2.gz SPUFAHPDORJYJH-CQSZACIVSA-N 1 1 318.421 1.553 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001254553085 896498938 /nfs/dbraw/zinc/49/89/38/896498938.db2.gz RWVQEIUHSFCQJW-LRDDRELGSA-N 1 1 303.362 1.738 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H]3C[C@H](CO)C[C@H]31)C2 ZINC001254594707 896520865 /nfs/dbraw/zinc/52/08/65/896520865.db2.gz SPQVGZUGZHGYPP-GAEVZRCVSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H]3C[C@H](CO)C[C@H]31)C2 ZINC001254594707 896520878 /nfs/dbraw/zinc/52/08/78/896520878.db2.gz SPQVGZUGZHGYPP-GAEVZRCVSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCO[C@@]3(CCOC3)C1)C2 ZINC001254593217 896521017 /nfs/dbraw/zinc/52/10/17/896521017.db2.gz KAUNHDMLNPFOCF-HOTGVXAUSA-N 1 1 304.346 1.553 20 5 DDBDMO O=C1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC2(CCCC2)N1 ZINC001254606155 896526710 /nfs/dbraw/zinc/52/67/10/896526710.db2.gz FJOKBJGWPPUQSY-HNNXBMFYSA-N 1 1 315.373 1.807 20 5 DDBDMO O=C1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC2(CCCC2)N1 ZINC001254606155 896526720 /nfs/dbraw/zinc/52/67/20/896526720.db2.gz FJOKBJGWPPUQSY-HNNXBMFYSA-N 1 1 315.373 1.807 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611172 896534194 /nfs/dbraw/zinc/53/41/94/896534194.db2.gz WPLVLYLUIDFOBV-HUUCEWRRSA-N 1 1 316.357 1.947 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CCc2occc21 ZINC001263073234 900481845 /nfs/dbraw/zinc/48/18/45/900481845.db2.gz WKKCOMYAEOJKDX-CQSZACIVSA-N 1 1 301.302 1.691 20 5 DDBDMO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280325478 903594454 /nfs/dbraw/zinc/59/44/54/903594454.db2.gz UWTRFZGNTLQWFW-HUUCEWRRSA-N 1 1 305.378 1.810 20 5 DDBDMO CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280325478 903594460 /nfs/dbraw/zinc/59/44/60/903594460.db2.gz UWTRFZGNTLQWFW-HUUCEWRRSA-N 1 1 305.378 1.810 20 5 DDBDMO CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280325478 903594467 /nfs/dbraw/zinc/59/44/67/903594467.db2.gz UWTRFZGNTLQWFW-HUUCEWRRSA-N 1 1 305.378 1.810 20 5 DDBDMO CC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248476849 282086752 /nfs/dbraw/zinc/08/67/52/282086752.db2.gz YJIAXYPPVILBFZ-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248476849 282086756 /nfs/dbraw/zinc/08/67/56/282086756.db2.gz YJIAXYPPVILBFZ-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358069430 299066593 /nfs/dbraw/zinc/06/65/93/299066593.db2.gz STLAZIRADNYYRG-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO CC[C@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248985859 282123824 /nfs/dbraw/zinc/12/38/24/282123824.db2.gz WGWXTUYPBZTOOJ-CZUORRHYSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248985859 282123828 /nfs/dbraw/zinc/12/38/28/282123828.db2.gz WGWXTUYPBZTOOJ-CZUORRHYSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(O)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495198953 529440123 /nfs/dbraw/zinc/44/01/23/529440123.db2.gz DSXBYXUOQIFNCY-HNNXBMFYSA-N 1 1 307.350 1.404 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495198953 529440124 /nfs/dbraw/zinc/44/01/24/529440124.db2.gz DSXBYXUOQIFNCY-HNNXBMFYSA-N 1 1 307.350 1.404 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458157496 529467358 /nfs/dbraw/zinc/46/73/58/529467358.db2.gz CMMWQCHQDRZRMZ-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197629 529578160 /nfs/dbraw/zinc/57/81/60/529578160.db2.gz YJPOVWAXXCQHNF-GOEBONIOSA-N 1 1 319.361 1.547 20 5 DDBDMO COC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251520159 282202106 /nfs/dbraw/zinc/20/21/06/282202106.db2.gz CQHZVXHKBKFNJB-DOMZBBRYSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000251520159 282202108 /nfs/dbraw/zinc/20/21/08/282202108.db2.gz CQHZVXHKBKFNJB-DOMZBBRYSA-N 1 1 310.350 1.709 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000615000826 362112647 /nfs/dbraw/zinc/11/26/47/362112647.db2.gz WSMOYIYALHKBGK-CQSZACIVSA-N 1 1 308.382 1.808 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303129 /nfs/dbraw/zinc/30/31/29/185303129.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303134 /nfs/dbraw/zinc/30/31/34/185303134.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303135 /nfs/dbraw/zinc/30/31/35/185303135.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 1 1 322.409 1.419 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181513528 199308654 /nfs/dbraw/zinc/30/86/54/199308654.db2.gz BUAXPVIHJNKPTA-UHFFFAOYSA-N 1 1 321.333 1.491 20 5 DDBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272670164 210074314 /nfs/dbraw/zinc/07/43/14/210074314.db2.gz IRMJIGQWFFQMCZ-LBPRGKRZSA-N 1 1 303.362 1.904 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000272659322 210064073 /nfs/dbraw/zinc/06/40/73/210064073.db2.gz HCOPAJYLOCJWAQ-XHDPSFHLSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000272659322 210064071 /nfs/dbraw/zinc/06/40/71/210064071.db2.gz HCOPAJYLOCJWAQ-XHDPSFHLSA-N 1 1 319.361 1.857 20 5 DDBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677533 215054063 /nfs/dbraw/zinc/05/40/63/215054063.db2.gz DZPJWMIDIFDAMA-BXUZGUMPSA-N 1 1 321.377 1.819 20 5 DDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000279905610 215223849 /nfs/dbraw/zinc/22/38/49/215223849.db2.gz VKISUZMBVHIWNW-AWEZNQCLSA-N 1 1 319.361 1.187 20 5 DDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000279905610 215223851 /nfs/dbraw/zinc/22/38/51/215223851.db2.gz VKISUZMBVHIWNW-AWEZNQCLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181905851 186217281 /nfs/dbraw/zinc/21/72/81/186217281.db2.gz XUDAERMVVUVILN-UPJWGTAASA-N 1 1 310.350 1.444 20 5 DDBDMO CC1(C)[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000181914442 186218643 /nfs/dbraw/zinc/21/86/43/186218643.db2.gz FDLFIALFQJQFIG-OKILXGFUSA-N 1 1 324.402 1.956 20 5 DDBDMO CC1(C)[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000181914442 186218645 /nfs/dbraw/zinc/21/86/45/186218645.db2.gz FDLFIALFQJQFIG-OKILXGFUSA-N 1 1 324.402 1.956 20 5 DDBDMO COCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000052940541 352633610 /nfs/dbraw/zinc/63/36/10/352633610.db2.gz NQDQDDNECLQBFW-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO COCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000052940541 352633614 /nfs/dbraw/zinc/63/36/14/352633614.db2.gz NQDQDDNECLQBFW-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO Cc1c(C(=O)NCC[N@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000066924582 353025692 /nfs/dbraw/zinc/02/56/92/353025692.db2.gz JCQRSNZOXRMCHN-UHFFFAOYSA-N 1 1 322.321 1.635 20 5 DDBDMO O=[N+]([O-])c1cn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000066482907 353000239 /nfs/dbraw/zinc/00/02/39/353000239.db2.gz TZLXARHSSDNFIF-AWEZNQCLSA-N 1 1 302.334 1.211 20 5 DDBDMO COc1ccc(OCC[N@@H+](CC(N)=O)C(C)C)c([N+](=O)[O-])c1 ZINC000173480634 198219265 /nfs/dbraw/zinc/21/92/65/198219265.db2.gz RYSMCWLQXDAIGH-UHFFFAOYSA-N 1 1 311.338 1.178 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000067701415 353062525 /nfs/dbraw/zinc/06/25/25/353062525.db2.gz FPDFPHZKWSVPFR-UHFFFAOYSA-N 1 1 306.366 1.485 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067912074 353074657 /nfs/dbraw/zinc/07/46/57/353074657.db2.gz DNFSZHRNXIHWAO-UHFFFAOYSA-N 1 1 307.350 1.356 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173567445 198228033 /nfs/dbraw/zinc/22/80/33/198228033.db2.gz RRSUIGSWRFNYKB-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173567445 198228035 /nfs/dbraw/zinc/22/80/35/198228035.db2.gz RRSUIGSWRFNYKB-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000609 353140346 /nfs/dbraw/zinc/14/03/46/353140346.db2.gz XSJKHEUVCWQUTN-GFCCVEGCSA-N 1 1 306.366 1.849 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000174531277 198347954 /nfs/dbraw/zinc/34/79/54/198347954.db2.gz DXTAZCXBYJHLBQ-CYBMUJFWSA-N 1 1 323.397 1.290 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000174654821 198365904 /nfs/dbraw/zinc/36/59/04/198365904.db2.gz TYBPCSGCIUQPJF-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO CCC[N@H+](CC)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174654821 198365906 /nfs/dbraw/zinc/36/59/06/198365906.db2.gz TYBPCSGCIUQPJF-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000174654821 198365907 /nfs/dbraw/zinc/36/59/07/198365907.db2.gz TYBPCSGCIUQPJF-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO COCCC[N@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000078302326 353509869 /nfs/dbraw/zinc/50/98/69/353509869.db2.gz LWVAZXYWEFPPAW-UHFFFAOYSA-N 1 1 308.382 1.847 20 5 DDBDMO Cc1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078662681 353527721 /nfs/dbraw/zinc/52/77/21/353527721.db2.gz ANHPLOGXNNBDNW-CQSZACIVSA-N 1 1 320.393 1.847 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176070147 198543161 /nfs/dbraw/zinc/54/31/61/198543161.db2.gz UPAZYYONJZVBIR-SNVBAGLBSA-N 1 1 317.349 1.748 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000129904021 354087482 /nfs/dbraw/zinc/08/74/82/354087482.db2.gz ITJFZHNJHZWWOT-MFKMUULPSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000129904021 354087486 /nfs/dbraw/zinc/08/74/86/354087486.db2.gz ITJFZHNJHZWWOT-MFKMUULPSA-N 1 1 308.338 1.435 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000143978784 354152242 /nfs/dbraw/zinc/15/22/42/354152242.db2.gz ICARADYTZUZCBE-LLVKDONJSA-N 1 1 304.350 1.603 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000145704229 354157933 /nfs/dbraw/zinc/15/79/33/354157933.db2.gz RAUQUTIQQYZGMZ-KGLIPLIRSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C2CC2)CC1 ZINC000155989803 354216400 /nfs/dbraw/zinc/21/64/00/354216400.db2.gz NJBSMXHQZLODCJ-UHFFFAOYSA-N 1 1 314.345 1.996 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000494968480 235108822 /nfs/dbraw/zinc/10/88/22/235108822.db2.gz CNBYCCQYPBLKFC-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592533589 355618363 /nfs/dbraw/zinc/61/83/63/355618363.db2.gz UMBNYLVHFREOQY-BVUKWYMNSA-N 1 1 320.345 1.464 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592533589 355618366 /nfs/dbraw/zinc/61/83/66/355618366.db2.gz UMBNYLVHFREOQY-BVUKWYMNSA-N 1 1 320.345 1.464 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593103321 355799275 /nfs/dbraw/zinc/79/92/75/355799275.db2.gz YTKLWFOTSNMACI-VUCVNMQBSA-N 1 1 310.375 1.569 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000593469044 355895160 /nfs/dbraw/zinc/89/51/60/355895160.db2.gz VCCAUWPCPOCVPW-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000593469044 355895164 /nfs/dbraw/zinc/89/51/64/355895164.db2.gz VCCAUWPCPOCVPW-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000594003568 356084201 /nfs/dbraw/zinc/08/42/01/356084201.db2.gz APOPJUAZDSBZJQ-NWDGAFQWSA-N 1 1 318.333 1.894 20 5 DDBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000594063656 356103198 /nfs/dbraw/zinc/10/31/98/356103198.db2.gz KPTCBJILEYSDGF-LLVKDONJSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000594063656 356103202 /nfs/dbraw/zinc/10/32/02/356103202.db2.gz KPTCBJILEYSDGF-LLVKDONJSA-N 1 1 319.361 1.329 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594419788 356204626 /nfs/dbraw/zinc/20/46/26/356204626.db2.gz RLEVQTSVLOLULK-STQMWFEESA-N 1 1 318.377 1.924 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC2(CC2(F)F)C1 ZINC000594570720 356252583 /nfs/dbraw/zinc/25/25/83/356252583.db2.gz YCUJFPDYNZQVTG-SNVBAGLBSA-N 1 1 314.288 1.676 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594596964 356259942 /nfs/dbraw/zinc/25/99/42/356259942.db2.gz BPNWVDFWHOWSND-RYUDHWBXSA-N 1 1 319.365 1.518 20 5 DDBDMO CO[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC000595423140 356486604 /nfs/dbraw/zinc/48/66/04/356486604.db2.gz JNELLYZVTAEFPK-XHDPSFHLSA-N 1 1 307.350 1.399 20 5 DDBDMO CO[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC000595423140 356486606 /nfs/dbraw/zinc/48/66/06/356486606.db2.gz JNELLYZVTAEFPK-XHDPSFHLSA-N 1 1 307.350 1.399 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595607968 356574163 /nfs/dbraw/zinc/57/41/63/356574163.db2.gz MDIBRYNZNAZYDG-ZDUSSCGKSA-N 1 1 317.349 1.587 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608712 356575641 /nfs/dbraw/zinc/57/56/41/356575641.db2.gz UKCIEQYVCPJZGL-SNVBAGLBSA-N 1 1 323.303 1.987 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608712 356575646 /nfs/dbraw/zinc/57/56/46/356575646.db2.gz UKCIEQYVCPJZGL-SNVBAGLBSA-N 1 1 323.303 1.987 20 5 DDBDMO C[C@@]1(C2CC2)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595624734 356582271 /nfs/dbraw/zinc/58/22/71/356582271.db2.gz FKGBOBYORKWEQO-HNNXBMFYSA-N 1 1 307.350 1.257 20 5 DDBDMO C[C@@]1(C2CC2)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595624734 356582276 /nfs/dbraw/zinc/58/22/76/356582276.db2.gz FKGBOBYORKWEQO-HNNXBMFYSA-N 1 1 307.350 1.257 20 5 DDBDMO O=C(C[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595752122 356635874 /nfs/dbraw/zinc/63/58/74/356635874.db2.gz SLLQNSCWVHMDGP-MRXNPFEDSA-N 1 1 319.361 1.770 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595752122 356635878 /nfs/dbraw/zinc/63/58/78/356635878.db2.gz SLLQNSCWVHMDGP-MRXNPFEDSA-N 1 1 319.361 1.770 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596091650 356768892 /nfs/dbraw/zinc/76/88/92/356768892.db2.gz BJYBEUYKOFCROQ-LLVKDONJSA-N 1 1 306.366 1.836 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276920198 213175986 /nfs/dbraw/zinc/17/59/86/213175986.db2.gz OLSQZTOETSDQKG-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000596170408 356800912 /nfs/dbraw/zinc/80/09/12/356800912.db2.gz ZLDJJQKPHSKJST-SMDDNHRTSA-N 1 1 318.377 1.614 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596189725 356806557 /nfs/dbraw/zinc/80/65/57/356806557.db2.gz QGHLRECYVULPHF-QMTHXVAHSA-N 1 1 304.350 1.224 20 5 DDBDMO COc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198045 356810337 /nfs/dbraw/zinc/81/03/37/356810337.db2.gz PMDIYUXKIRAFIA-ZDUSSCGKSA-N 1 1 315.757 1.735 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859805 357362133 /nfs/dbraw/zinc/36/21/33/357362133.db2.gz YHYYXJJETDVDPL-GFCCVEGCSA-N 1 1 323.397 1.479 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000597861450 357362214 /nfs/dbraw/zinc/36/22/14/357362214.db2.gz UNMKCFBFTRCDTL-LLVKDONJSA-N 1 1 323.397 1.661 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372739196 307174176 /nfs/dbraw/zinc/17/41/76/307174176.db2.gz KJBVTKPPWHQFGE-ZDUSSCGKSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000372739196 307174177 /nfs/dbraw/zinc/17/41/77/307174177.db2.gz KJBVTKPPWHQFGE-ZDUSSCGKSA-N 1 1 313.379 1.156 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598342485 357545308 /nfs/dbraw/zinc/54/53/08/357545308.db2.gz JBUZRGUUVCDAOP-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600361 357648599 /nfs/dbraw/zinc/64/85/99/357648599.db2.gz AVUSQFCIORDKOK-ZJUUUORDSA-N 1 1 320.349 1.814 20 5 DDBDMO CCc1nn(C)c(N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599105813 357817539 /nfs/dbraw/zinc/81/75/39/357817539.db2.gz QLNZGOMMQLAZRQ-UHFFFAOYSA-N 1 1 323.397 1.192 20 5 DDBDMO O=c1ccc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000599642453 358003627 /nfs/dbraw/zinc/00/36/27/358003627.db2.gz UPNUXWDPYZCZRK-LLVKDONJSA-N 1 1 304.310 1.124 20 5 DDBDMO O=c1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000599642453 358003630 /nfs/dbraw/zinc/00/36/30/358003630.db2.gz UPNUXWDPYZCZRK-LLVKDONJSA-N 1 1 304.310 1.124 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1C[C@@H](O)C1 ZINC000599671902 358018169 /nfs/dbraw/zinc/01/81/69/358018169.db2.gz KOGYQRBUCVLDAF-VDISTLRHSA-N 1 1 319.361 1.187 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600076939 358116924 /nfs/dbraw/zinc/11/69/24/358116924.db2.gz RFDXAYGRLZKOIQ-UHFFFAOYSA-N 1 1 310.329 1.294 20 5 DDBDMO C[C@]1(CO)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000600204048 358155856 /nfs/dbraw/zinc/15/58/56/358155856.db2.gz NYCZTDZRKLJQPL-VWEWPCDYSA-N 1 1 320.389 1.921 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600229135 358163710 /nfs/dbraw/zinc/16/37/10/358163710.db2.gz PWLAWDBKMXZPGW-ZDUSSCGKSA-N 1 1 321.381 1.315 20 5 DDBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](CO)O1 ZINC000601153501 358424212 /nfs/dbraw/zinc/42/42/12/358424212.db2.gz PKDHRIZRXRFWSB-JQWIXIFHSA-N 1 1 303.318 1.729 20 5 DDBDMO C[C@H](O)[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601176308 358434537 /nfs/dbraw/zinc/43/45/37/358434537.db2.gz USUQYTQOSAPINB-ZUZCIYMTSA-N 1 1 303.318 1.729 20 5 DDBDMO O=[N+]([O-])c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000601953302 358751155 /nfs/dbraw/zinc/75/11/55/358751155.db2.gz DXNQTOIYSIPRIM-HNNXBMFYSA-N 1 1 302.334 1.428 20 5 DDBDMO CC(C)(O)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602553734 359042455 /nfs/dbraw/zinc/04/24/55/359042455.db2.gz WWCNGUFEXVFYNN-UHFFFAOYSA-N 1 1 321.421 1.962 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000602769910 359178396 /nfs/dbraw/zinc/17/83/96/359178396.db2.gz XIBOWZZJKUOYKO-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000603141042 359429572 /nfs/dbraw/zinc/42/95/72/359429572.db2.gz AODNCYJTZYCRMV-PHIMTYICSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000603141042 359429576 /nfs/dbraw/zinc/42/95/76/359429576.db2.gz AODNCYJTZYCRMV-PHIMTYICSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000603141042 359429580 /nfs/dbraw/zinc/42/95/80/359429580.db2.gz AODNCYJTZYCRMV-PHIMTYICSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000603141042 359429583 /nfs/dbraw/zinc/42/95/83/359429583.db2.gz AODNCYJTZYCRMV-PHIMTYICSA-N 1 1 323.397 1.825 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000603144150 359433330 /nfs/dbraw/zinc/43/33/30/359433330.db2.gz WZWWQRVIGVBATK-CYBMUJFWSA-N 1 1 306.366 1.792 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000603144150 359433334 /nfs/dbraw/zinc/43/33/34/359433334.db2.gz WZWWQRVIGVBATK-CYBMUJFWSA-N 1 1 306.366 1.792 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(CO)CC1 ZINC000186800278 200012806 /nfs/dbraw/zinc/01/28/06/200012806.db2.gz XTYAMHLEKSOYHN-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(CO)CC1 ZINC000186800278 200012807 /nfs/dbraw/zinc/01/28/07/200012807.db2.gz XTYAMHLEKSOYHN-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000187123666 200064829 /nfs/dbraw/zinc/06/48/29/200064829.db2.gz VWIIABPBVOHXGG-KOLCDFICSA-N 1 1 308.338 1.250 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189375388 200390328 /nfs/dbraw/zinc/39/03/28/200390328.db2.gz BQNHFKATTUJTNM-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189375388 200390330 /nfs/dbraw/zinc/39/03/30/200390330.db2.gz BQNHFKATTUJTNM-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000359029746 299311580 /nfs/dbraw/zinc/31/15/80/299311580.db2.gz SOWIHTXJBXYJCS-NWDGAFQWSA-N 1 1 321.381 1.796 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1cccnc1[N+](=O)[O-] ZINC000611031302 360607213 /nfs/dbraw/zinc/60/72/13/360607213.db2.gz OEPHZHDMWFHVPX-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611268420 360684311 /nfs/dbraw/zinc/68/43/11/360684311.db2.gz LNIPCCMFWJOJDE-HZPDHXFCSA-N 1 1 321.377 1.331 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000611207336 360660430 /nfs/dbraw/zinc/66/04/30/360660430.db2.gz ZWJLJSLNDFXJLZ-XHDPSFHLSA-N 1 1 321.377 1.933 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898194 363787580 /nfs/dbraw/zinc/78/75/80/363787580.db2.gz ZYFLWGBOGOPOMC-ABAIWWIYSA-N 1 1 320.393 1.590 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000194913707 201309677 /nfs/dbraw/zinc/30/96/77/201309677.db2.gz WNJWEJQFEBYLFK-LBPRGKRZSA-N 1 1 323.397 1.487 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000566115248 304119984 /nfs/dbraw/zinc/11/99/84/304119984.db2.gz IHSSANDHDBUBME-MGPQQGTHSA-N 1 1 323.393 1.407 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275347800 212284781 /nfs/dbraw/zinc/28/47/81/212284781.db2.gz JAPOOYRZSSNTPK-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275347800 212284783 /nfs/dbraw/zinc/28/47/83/212284783.db2.gz JAPOOYRZSSNTPK-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293104440 223397701 /nfs/dbraw/zinc/39/77/01/223397701.db2.gz LGYUMQQDLOLVQJ-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293104440 223397702 /nfs/dbraw/zinc/39/77/02/223397702.db2.gz LGYUMQQDLOLVQJ-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000261628184 203083755 /nfs/dbraw/zinc/08/37/55/203083755.db2.gz AQPKFHNTJBFGGT-SNVBAGLBSA-N 1 1 321.362 1.177 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261847102 203133197 /nfs/dbraw/zinc/13/31/97/203133197.db2.gz UYQYBBSPEMYQPD-HNNXBMFYSA-N 1 1 312.329 1.777 20 5 DDBDMO CN(CC(C)(C)C[NH3+])C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262582146 203338381 /nfs/dbraw/zinc/33/83/81/203338381.db2.gz KTTVXLCGGASETC-UHFFFAOYSA-N 1 1 305.338 1.528 20 5 DDBDMO O=C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000359305962 299406386 /nfs/dbraw/zinc/40/63/86/299406386.db2.gz MHMFQNWKKZXTNC-RYUDHWBXSA-N 1 1 304.350 1.075 20 5 DDBDMO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000274925104 212038774 /nfs/dbraw/zinc/03/87/74/212038774.db2.gz MBFDLYUVHBXNLI-SNVBAGLBSA-N 1 1 305.334 1.681 20 5 DDBDMO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000274925104 212038776 /nfs/dbraw/zinc/03/87/76/212038776.db2.gz MBFDLYUVHBXNLI-SNVBAGLBSA-N 1 1 305.334 1.681 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134642095 284333492 /nfs/dbraw/zinc/33/34/92/284333492.db2.gz HICPCRHKYROFKP-UHFFFAOYSA-N 1 1 304.350 1.687 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266057629 205064235 /nfs/dbraw/zinc/06/42/35/205064235.db2.gz AFCCMVZUEGIFCK-LBPRGKRZSA-N 1 1 321.381 1.574 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266445136 205352547 /nfs/dbraw/zinc/35/25/47/205352547.db2.gz BGXIXVPMJRKZAG-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266445136 205352551 /nfs/dbraw/zinc/35/25/51/205352551.db2.gz BGXIXVPMJRKZAG-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266445136 205352555 /nfs/dbraw/zinc/35/25/55/205352555.db2.gz BGXIXVPMJRKZAG-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO C[N@@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266503631 205393500 /nfs/dbraw/zinc/39/35/00/205393500.db2.gz XIGAYAMFTLLMKR-OAHLLOKOSA-N 1 1 304.350 1.327 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285335509 218387022 /nfs/dbraw/zinc/38/70/22/218387022.db2.gz OGAUQFCFERWNBS-INIZCTEOSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285335509 218387024 /nfs/dbraw/zinc/38/70/24/218387024.db2.gz OGAUQFCFERWNBS-INIZCTEOSA-N 1 1 322.361 1.855 20 5 DDBDMO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109805554 194288094 /nfs/dbraw/zinc/28/80/94/194288094.db2.gz IIJQUVHRQCYENK-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109805554 194288097 /nfs/dbraw/zinc/28/80/97/194288097.db2.gz IIJQUVHRQCYENK-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000110653772 194346624 /nfs/dbraw/zinc/34/66/24/194346624.db2.gz VGIDGPZWWIGNEB-JTQLQIEISA-N 1 1 309.391 1.998 20 5 DDBDMO CCN1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000567680072 304233963 /nfs/dbraw/zinc/23/39/63/304233963.db2.gz OMWGJJKQROWBHZ-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO COc1cc(N2CCC[N@@H+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000119633608 195006693 /nfs/dbraw/zinc/00/66/93/195006693.db2.gz ONQLDDGFXAWYJH-UHFFFAOYSA-N 1 1 313.329 1.247 20 5 DDBDMO O=C(C[N@@H+](CCO)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000352489508 285086678 /nfs/dbraw/zinc/08/66/78/285086678.db2.gz AXNBPBFGWJCIJX-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000272969451 210352875 /nfs/dbraw/zinc/35/28/75/210352875.db2.gz BETPXVWPUCPMJR-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158749109 197297942 /nfs/dbraw/zinc/29/79/42/197297942.db2.gz HHIRCFUHZUXURE-OAHLLOKOSA-N 1 1 316.361 1.952 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000298027880 285166501 /nfs/dbraw/zinc/16/65/01/285166501.db2.gz FMXRFYOFEPQVEA-ZDUSSCGKSA-N 1 1 306.366 1.681 20 5 DDBDMO COC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035169 533130380 /nfs/dbraw/zinc/13/03/80/533130380.db2.gz GDRVOODIDLLGDF-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157152723 197165934 /nfs/dbraw/zinc/16/59/34/197165934.db2.gz SIUOQMCXZLWAGP-DGCLKSJQSA-N 1 1 318.377 1.733 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352687915 285228358 /nfs/dbraw/zinc/22/83/58/285228358.db2.gz ACFUCHFWQHXUSX-STQMWFEESA-N 1 1 323.349 1.387 20 5 DDBDMO CC[N@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271574124 209025245 /nfs/dbraw/zinc/02/52/45/209025245.db2.gz CFJAHZPFMSGSHB-UHFFFAOYSA-N 1 1 307.397 1.423 20 5 DDBDMO CC[N@@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271574124 209025249 /nfs/dbraw/zinc/02/52/49/209025249.db2.gz CFJAHZPFMSGSHB-UHFFFAOYSA-N 1 1 307.397 1.423 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ncccn2n1 ZINC000414259986 224316232 /nfs/dbraw/zinc/31/62/32/224316232.db2.gz AOZZRSFDESFNTM-LLVKDONJSA-N 1 1 312.333 1.753 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661221 533634753 /nfs/dbraw/zinc/63/47/53/533634753.db2.gz UGVKHEOYCLKJJL-JTQLQIEISA-N 1 1 318.333 1.999 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661221 533634758 /nfs/dbraw/zinc/63/47/58/533634758.db2.gz UGVKHEOYCLKJJL-JTQLQIEISA-N 1 1 318.333 1.999 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000579731468 422823042 /nfs/dbraw/zinc/82/30/42/422823042.db2.gz URULXVWATATJOB-UHFFFAOYSA-N 1 1 307.354 1.176 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000074104772 406903052 /nfs/dbraw/zinc/90/30/52/406903052.db2.gz JIHCVMVFPQZHII-CYBMUJFWSA-N 1 1 321.377 1.364 20 5 DDBDMO CCn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000093534297 407198110 /nfs/dbraw/zinc/19/81/10/407198110.db2.gz NTJHNDRUDUGJSU-ZDUSSCGKSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000093534297 407198112 /nfs/dbraw/zinc/19/81/12/407198112.db2.gz NTJHNDRUDUGJSU-ZDUSSCGKSA-N 1 1 316.365 1.893 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000123246561 407323825 /nfs/dbraw/zinc/32/38/25/407323825.db2.gz WHTUENXVUYFUOZ-NWDGAFQWSA-N 1 1 323.397 1.468 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCn1cccn1 ZINC000111280814 407405907 /nfs/dbraw/zinc/40/59/07/407405907.db2.gz MWQTZAXLHFORSA-GFCCVEGCSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cccn1 ZINC000111280814 407405908 /nfs/dbraw/zinc/40/59/08/407405908.db2.gz MWQTZAXLHFORSA-GFCCVEGCSA-N 1 1 317.349 1.750 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000112310097 407425674 /nfs/dbraw/zinc/42/56/74/407425674.db2.gz ZOXDXTMIFXQLHP-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000271007252 407466848 /nfs/dbraw/zinc/46/68/48/407466848.db2.gz WULFAFFHPVIZGR-UHFFFAOYSA-N 1 1 323.397 1.820 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000185725536 407488587 /nfs/dbraw/zinc/48/85/87/407488587.db2.gz HTXYQYWGNXIRSH-ABAIWWIYSA-N 1 1 320.393 1.979 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794801 407456732 /nfs/dbraw/zinc/45/67/32/407456732.db2.gz MYMBIOUOXNCPSH-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128548459 407548860 /nfs/dbraw/zinc/54/88/60/407548860.db2.gz CLDIVELLORBZQE-WDEREUQCSA-N 1 1 323.397 1.487 20 5 DDBDMO CC(C)(CC(N)=O)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000186220660 407609310 /nfs/dbraw/zinc/60/93/10/407609310.db2.gz QPEDSHVSESXJOV-UHFFFAOYSA-N 1 1 319.321 1.388 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000178859899 407630874 /nfs/dbraw/zinc/63/08/74/407630874.db2.gz WGOPHAAYUSPEPK-DZGCQCFKSA-N 1 1 322.361 1.713 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115436588 407681048 /nfs/dbraw/zinc/68/10/48/407681048.db2.gz DEFCFJGWPWKJDD-CYBMUJFWSA-N 1 1 323.397 1.290 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000115577387 407697226 /nfs/dbraw/zinc/69/72/26/407697226.db2.gz IUEVFRFEEPCCHE-JSGCOSHPSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000115577387 407697230 /nfs/dbraw/zinc/69/72/30/407697230.db2.gz IUEVFRFEEPCCHE-JSGCOSHPSA-N 1 1 310.350 1.445 20 5 DDBDMO COC(=O)C1(O)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271476197 407699237 /nfs/dbraw/zinc/69/92/37/407699237.db2.gz VEXUMBZJRUWGDA-LLVKDONJSA-N 1 1 308.334 1.656 20 5 DDBDMO Cn1cc(C[N@@H+](CCO)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153592120 407857797 /nfs/dbraw/zinc/85/77/97/407857797.db2.gz CRRGFQHPEAFECC-UHFFFAOYSA-N 1 1 316.361 1.952 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000134149071 407888977 /nfs/dbraw/zinc/88/89/77/407888977.db2.gz XRAXVCYAXAUHLS-LBPRGKRZSA-N 1 1 307.350 1.293 20 5 DDBDMO Cc1c(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000118123365 407900029 /nfs/dbraw/zinc/90/00/29/407900029.db2.gz PALMDZPEYULKQY-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267599236 407849257 /nfs/dbraw/zinc/84/92/57/407849257.db2.gz JBFABSXIDMFDPH-WCQYABFASA-N 1 1 320.393 1.731 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216224 407951427 /nfs/dbraw/zinc/95/14/27/407951427.db2.gz PNXGBLYEUFLPCL-SKDRFNHKSA-N 1 1 304.350 1.390 20 5 DDBDMO COc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268162933 407923114 /nfs/dbraw/zinc/92/31/14/407923114.db2.gz ILSBHFSSDNCDSJ-GWCFXTLKSA-N 1 1 319.361 1.816 20 5 DDBDMO CCc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189460130 408024101 /nfs/dbraw/zinc/02/41/01/408024101.db2.gz GZIJJHVEZQUEAW-UHFFFAOYSA-N 1 1 321.377 1.609 20 5 DDBDMO CCc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189460130 408024110 /nfs/dbraw/zinc/02/41/10/408024110.db2.gz GZIJJHVEZQUEAW-UHFFFAOYSA-N 1 1 321.377 1.609 20 5 DDBDMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137398995 408153883 /nfs/dbraw/zinc/15/38/83/408153883.db2.gz HSXOLVZQDWWPKX-LBPRGKRZSA-N 1 1 317.349 1.221 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190067103 408157129 /nfs/dbraw/zinc/15/71/29/408157129.db2.gz RCGMBICRXCRSHD-SNVBAGLBSA-N 1 1 317.349 1.748 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000190215610 408191370 /nfs/dbraw/zinc/19/13/70/408191370.db2.gz HDXPRSZIXSQWID-UHFFFAOYSA-N 1 1 302.281 1.107 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190785775 408318531 /nfs/dbraw/zinc/31/85/31/408318531.db2.gz BBFFXTNGPMYYAC-UHFFFAOYSA-N 1 1 323.393 1.762 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000122272911 408277697 /nfs/dbraw/zinc/27/76/97/408277697.db2.gz MZXWKCAEKXVJLA-LBPRGKRZSA-N 1 1 319.365 1.098 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000122272911 408277702 /nfs/dbraw/zinc/27/77/02/408277702.db2.gz MZXWKCAEKXVJLA-LBPRGKRZSA-N 1 1 319.365 1.098 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197094 408348959 /nfs/dbraw/zinc/34/89/59/408348959.db2.gz MVDYXJUNXOXCFN-RYUDHWBXSA-N 1 1 310.350 1.685 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190924353 408343464 /nfs/dbraw/zinc/34/34/64/408343464.db2.gz NHJIIEZLYDTUFR-RTXFEEFZSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247369718 408458980 /nfs/dbraw/zinc/45/89/80/408458980.db2.gz KRXSLTVHWKYVIE-CHWSQXEVSA-N 1 1 321.377 1.772 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2CC)n1 ZINC000191810810 408496743 /nfs/dbraw/zinc/49/67/43/408496743.db2.gz DAIYWXXOYJGKTH-NSHDSACASA-N 1 1 309.370 1.415 20 5 DDBDMO C[NH+](C)[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000264502049 408514324 /nfs/dbraw/zinc/51/43/24/408514324.db2.gz YFARPEDMWLGIMG-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000274598734 408465046 /nfs/dbraw/zinc/46/50/46/408465046.db2.gz WPHGTMAKDZRAPB-UHFFFAOYSA-N 1 1 320.349 1.120 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402014 408476502 /nfs/dbraw/zinc/47/65/02/408476502.db2.gz HSGGWECHQXAKEF-WCQYABFASA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402014 408476510 /nfs/dbraw/zinc/47/65/10/408476510.db2.gz HSGGWECHQXAKEF-WCQYABFASA-N 1 1 307.350 1.769 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184229411 408574266 /nfs/dbraw/zinc/57/42/66/408574266.db2.gz PLGXTWGVGPYFOX-VIFPVBQESA-N 1 1 313.329 1.556 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000248479640 408577504 /nfs/dbraw/zinc/57/75/04/408577504.db2.gz ZXVGBDRWWXNVCC-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192469212 408593165 /nfs/dbraw/zinc/59/31/65/408593165.db2.gz PGPMFEZOQWIYQS-BETUJISGSA-N 1 1 319.361 1.384 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248609006 408597703 /nfs/dbraw/zinc/59/77/03/408597703.db2.gz PTKVMDNXRUNWII-HIFRSBDPSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248609006 408597707 /nfs/dbraw/zinc/59/77/07/408597707.db2.gz PTKVMDNXRUNWII-HIFRSBDPSA-N 1 1 307.350 1.358 20 5 DDBDMO C[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184082416 408544499 /nfs/dbraw/zinc/54/44/99/408544499.db2.gz WVMJTYNNLUYYBQ-UHFFFAOYSA-N 1 1 313.379 1.062 20 5 DDBDMO C[N@H+]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184082416 408544502 /nfs/dbraw/zinc/54/45/02/408544502.db2.gz WVMJTYNNLUYYBQ-UHFFFAOYSA-N 1 1 313.379 1.062 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248686021 408615552 /nfs/dbraw/zinc/61/55/52/408615552.db2.gz HGOXBEFITKWLNQ-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248686021 408615555 /nfs/dbraw/zinc/61/55/55/408615555.db2.gz HGOXBEFITKWLNQ-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248686021 408615561 /nfs/dbraw/zinc/61/55/61/408615561.db2.gz HGOXBEFITKWLNQ-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1ccnc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275628870 408626128 /nfs/dbraw/zinc/62/61/28/408626128.db2.gz VQNLXHXGHZKLOH-LBPRGKRZSA-N 1 1 308.382 1.580 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192660790 408628064 /nfs/dbraw/zinc/62/80/64/408628064.db2.gz VVUVFHFFIKGMSZ-GFCCVEGCSA-N 1 1 313.379 1.357 20 5 DDBDMO Cc1c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000162069262 408666918 /nfs/dbraw/zinc/66/69/18/408666918.db2.gz NWQLVGFRUPHQLC-UHFFFAOYSA-N 1 1 320.349 1.006 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000270855084 408709531 /nfs/dbraw/zinc/70/95/31/408709531.db2.gz HGYXFZWRMWGFDJ-BXUZGUMPSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)C1 ZINC000249332379 408715584 /nfs/dbraw/zinc/71/55/84/408715584.db2.gz XACGOWKGCQCUCE-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CO)C1 ZINC000249332379 408715590 /nfs/dbraw/zinc/71/55/90/408715590.db2.gz XACGOWKGCQCUCE-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000270868121 408716646 /nfs/dbraw/zinc/71/66/46/408716646.db2.gz BBFQEKKFVOBCHC-AWEZNQCLSA-N 1 1 308.382 1.927 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265653650 408730915 /nfs/dbraw/zinc/73/09/15/408730915.db2.gz XZLJFJJBDVHVBS-ZDUSSCGKSA-N 1 1 322.365 1.115 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190840395 163160767 /nfs/dbraw/zinc/16/07/67/163160767.db2.gz AHQVSVJMRYQPRD-WOPDTQHZSA-N 1 1 307.350 1.482 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190840395 163160770 /nfs/dbraw/zinc/16/07/70/163160770.db2.gz AHQVSVJMRYQPRD-WOPDTQHZSA-N 1 1 307.350 1.482 20 5 DDBDMO C[N@H+]1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1(C)C ZINC000286347984 408967593 /nfs/dbraw/zinc/96/75/93/408967593.db2.gz HEKRSCAMQZKCSW-UHFFFAOYSA-N 1 1 307.398 1.615 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286454147 408987510 /nfs/dbraw/zinc/98/75/10/408987510.db2.gz JZUVJRYQXCGMNN-NWANDNLSSA-N 1 1 310.350 1.180 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282271347 409024137 /nfs/dbraw/zinc/02/41/37/409024137.db2.gz HPWSVYHUXSHRAZ-VHDGCEQUSA-N 1 1 324.377 1.834 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292364792 409027823 /nfs/dbraw/zinc/02/78/23/409027823.db2.gz ROSAVQBQLCGLEG-HNNXBMFYSA-N 1 1 320.349 1.308 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000287726292 409083305 /nfs/dbraw/zinc/08/33/05/409083305.db2.gz KJHLIVVVWZCAFS-OAHLLOKOSA-N 1 1 317.349 1.477 20 5 DDBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000293483540 409122829 /nfs/dbraw/zinc/12/28/29/409122829.db2.gz VVKWNKJSUZFKKC-PHIMTYICSA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293483540 409122830 /nfs/dbraw/zinc/12/28/30/409122830.db2.gz VVKWNKJSUZFKKC-PHIMTYICSA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668332 409158009 /nfs/dbraw/zinc/15/80/09/409158009.db2.gz JPMLFWIXVHELFN-DGCLKSJQSA-N 1 1 307.398 1.073 20 5 DDBDMO C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668332 409158012 /nfs/dbraw/zinc/15/80/12/409158012.db2.gz JPMLFWIXVHELFN-DGCLKSJQSA-N 1 1 307.398 1.073 20 5 DDBDMO Cc1cnc(N(C)CCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000289209050 409233206 /nfs/dbraw/zinc/23/32/06/409233206.db2.gz YFDGVLXDWHVCKZ-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1cnc(N(C)CCCN(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000289209050 409233208 /nfs/dbraw/zinc/23/32/08/409233208.db2.gz YFDGVLXDWHVCKZ-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283891221 409234826 /nfs/dbraw/zinc/23/48/26/409234826.db2.gz COVNKIMKJCWNJM-GFCCVEGCSA-N 1 1 322.409 1.674 20 5 DDBDMO CN(C)CC[N@H+](C)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000289388881 409260566 /nfs/dbraw/zinc/26/05/66/409260566.db2.gz JVDMKOOLSQGEAG-UHFFFAOYSA-N 1 1 308.426 1.910 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000289388881 409260569 /nfs/dbraw/zinc/26/05/69/409260569.db2.gz JVDMKOOLSQGEAG-UHFFFAOYSA-N 1 1 308.426 1.910 20 5 DDBDMO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293909078 409205635 /nfs/dbraw/zinc/20/56/35/409205635.db2.gz LQFXCENGDTVEBV-KWQFWETISA-N 1 1 318.782 1.913 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280673802 409403543 /nfs/dbraw/zinc/40/35/43/409403543.db2.gz YDXBUHRNBKMWSK-UHFFFAOYSA-N 1 1 318.333 1.603 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425856 409475504 /nfs/dbraw/zinc/47/55/04/409475504.db2.gz UJKSOZLRZBBUIA-VIFPVBQESA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425856 409475508 /nfs/dbraw/zinc/47/55/08/409475508.db2.gz UJKSOZLRZBBUIA-VIFPVBQESA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425856 409475513 /nfs/dbraw/zinc/47/55/13/409475513.db2.gz UJKSOZLRZBBUIA-VIFPVBQESA-N 1 1 307.354 1.183 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000344919658 409551995 /nfs/dbraw/zinc/55/19/95/409551995.db2.gz CXBYFKRAGPWNFT-AGLBCWCQSA-N 1 1 304.350 1.611 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000344919658 409552002 /nfs/dbraw/zinc/55/20/02/409552002.db2.gz CXBYFKRAGPWNFT-AGLBCWCQSA-N 1 1 304.350 1.611 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000354080689 409635841 /nfs/dbraw/zinc/63/58/41/409635841.db2.gz WVVQOHZKOIOJKM-ZDUSSCGKSA-N 1 1 318.377 1.627 20 5 DDBDMO COc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331520071 409594255 /nfs/dbraw/zinc/59/42/55/409594255.db2.gz NVPNIHAVQHHCIW-MFKMUULPSA-N 1 1 319.361 1.816 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342471208 409658721 /nfs/dbraw/zinc/65/87/21/409658721.db2.gz WUPHNLZKBSKSRV-HZMBPMFUSA-N 1 1 319.361 1.816 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474126 409663025 /nfs/dbraw/zinc/66/30/25/409663025.db2.gz NKYCPKNBIQTKAA-XPTSAGLGSA-N 1 1 307.325 1.946 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038010 409809405 /nfs/dbraw/zinc/80/94/05/409809405.db2.gz MXMJGVPQAQTVDH-GHMZBOCLSA-N 1 1 307.354 1.027 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038015 409810815 /nfs/dbraw/zinc/81/08/15/409810815.db2.gz MXMJGVPQAQTVDH-WDEREUQCSA-N 1 1 307.354 1.027 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000317099099 409861131 /nfs/dbraw/zinc/86/11/31/409861131.db2.gz BIAQNKFBILJHQE-ZYHUDNBSSA-N 1 1 306.366 1.849 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244100 409870440 /nfs/dbraw/zinc/87/04/40/409870440.db2.gz UNHIFFSBEGBRHS-HOSYDEDBSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244100 409870445 /nfs/dbraw/zinc/87/04/45/409870445.db2.gz UNHIFFSBEGBRHS-HOSYDEDBSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244100 409870451 /nfs/dbraw/zinc/87/04/51/409870451.db2.gz UNHIFFSBEGBRHS-HOSYDEDBSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1nocc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351639857 410129488 /nfs/dbraw/zinc/12/94/88/410129488.db2.gz FXAFKCMVSBTOLD-GFCCVEGCSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1nocc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351639857 410129497 /nfs/dbraw/zinc/12/94/97/410129497.db2.gz FXAFKCMVSBTOLD-GFCCVEGCSA-N 1 1 303.322 1.973 20 5 DDBDMO CNc1c(C(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000357621586 410142097 /nfs/dbraw/zinc/14/20/97/410142097.db2.gz ODNSHSTWDNOUIB-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351774286 410225717 /nfs/dbraw/zinc/22/57/17/410225717.db2.gz LHMUFKMPQXOKHC-PKFCDNJMSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351774286 410225723 /nfs/dbraw/zinc/22/57/23/410225723.db2.gz LHMUFKMPQXOKHC-PKFCDNJMSA-N 1 1 323.349 1.243 20 5 DDBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339617409 410331113 /nfs/dbraw/zinc/33/11/13/410331113.db2.gz NIWCFUDNCHPELC-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347329319 410472516 /nfs/dbraw/zinc/47/25/16/410472516.db2.gz IFNAJRGXBPLJCE-TXEJJXNPSA-N 1 1 300.742 1.566 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347329319 410472520 /nfs/dbraw/zinc/47/25/20/410472520.db2.gz IFNAJRGXBPLJCE-TXEJJXNPSA-N 1 1 300.742 1.566 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C(N)=O)no1 ZINC000347367289 410498241 /nfs/dbraw/zinc/49/82/41/410498241.db2.gz FFYHXMHDVQMKQY-BJMVGYQFSA-N 1 1 316.317 1.875 20 5 DDBDMO CC[N@@H+](C[C@H](C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187448 410534207 /nfs/dbraw/zinc/53/42/07/410534207.db2.gz RVSQBMIKZPBOPA-SMDDNHRTSA-N 1 1 307.350 1.403 20 5 DDBDMO COCC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347402193 410525748 /nfs/dbraw/zinc/52/57/48/410525748.db2.gz FNFQHZVHKFFWLU-UHFFFAOYSA-N 1 1 317.349 1.306 20 5 DDBDMO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+](C)C1CC1 ZINC000347443771 410549043 /nfs/dbraw/zinc/54/90/43/410549043.db2.gz YVVHKDXWXNOGKY-JTQLQIEISA-N 1 1 301.350 2.433 20 5 DDBDMO O=C1NCCN1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343687563 410621267 /nfs/dbraw/zinc/62/12/67/410621267.db2.gz KGJVCLNZSWLBBD-UHFFFAOYSA-N 1 1 304.350 1.584 20 5 DDBDMO O=C1NCCN1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343687563 410621271 /nfs/dbraw/zinc/62/12/71/410621271.db2.gz KGJVCLNZSWLBBD-UHFFFAOYSA-N 1 1 304.350 1.584 20 5 DDBDMO NC(=O)C[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301811115 410802199 /nfs/dbraw/zinc/80/21/99/410802199.db2.gz XTDFMOCSRKANSX-UHFFFAOYSA-N 1 1 314.292 1.235 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348207819 410855650 /nfs/dbraw/zinc/85/56/50/410855650.db2.gz YRRHLJUOXJEEMF-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330666680 410862685 /nfs/dbraw/zinc/86/26/85/410862685.db2.gz WOZGRMFGWORLDC-SMDDNHRTSA-N 1 1 310.350 1.685 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330679537 410873902 /nfs/dbraw/zinc/87/39/02/410873902.db2.gz XUKXPQRVZUZRBZ-LBPRGKRZSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330679537 410873909 /nfs/dbraw/zinc/87/39/09/410873909.db2.gz XUKXPQRVZUZRBZ-LBPRGKRZSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330679537 410873916 /nfs/dbraw/zinc/87/39/16/410873916.db2.gz XUKXPQRVZUZRBZ-LBPRGKRZSA-N 1 1 320.393 1.868 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000337622137 410902355 /nfs/dbraw/zinc/90/23/55/410902355.db2.gz PJOGNMKQNMMKKM-UHFFFAOYSA-N 1 1 315.333 1.216 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)nc2c1 ZINC000344041294 410914695 /nfs/dbraw/zinc/91/46/95/410914695.db2.gz IEIFVKSIBZPONF-XHVZSJERSA-N 1 1 303.318 1.939 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331160268 410988094 /nfs/dbraw/zinc/98/80/94/410988094.db2.gz COZMKLZQXXVUNJ-UHFFFAOYSA-N 1 1 309.370 1.297 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353484651 411024305 /nfs/dbraw/zinc/02/43/05/411024305.db2.gz KJAWONGSLRXSKF-LBPRGKRZSA-N 1 1 310.350 1.181 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c1C ZINC000360180855 411090258 /nfs/dbraw/zinc/09/02/58/411090258.db2.gz NVQPFMGRHHPTFR-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c1C ZINC000360180855 411090262 /nfs/dbraw/zinc/09/02/62/411090262.db2.gz NVQPFMGRHHPTFR-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cnn(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000580339034 422920742 /nfs/dbraw/zinc/92/07/42/422920742.db2.gz ISDLWNZBJZIACF-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO CCC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000132470081 196257652 /nfs/dbraw/zinc/25/76/52/196257652.db2.gz QFYKMKQBPCUQHZ-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000132470081 196257653 /nfs/dbraw/zinc/25/76/53/196257653.db2.gz QFYKMKQBPCUQHZ-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1ccccc1CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295605249 225037305 /nfs/dbraw/zinc/03/73/05/225037305.db2.gz CQTCVBIBTKZOES-MRXNPFEDSA-N 1 1 318.377 1.635 20 5 DDBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000366652866 418500501 /nfs/dbraw/zinc/50/05/01/418500501.db2.gz GIWLDJGCCHOWKZ-OCZCAGDBSA-N 1 1 319.361 1.572 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188823639 222029398 /nfs/dbraw/zinc/02/93/98/222029398.db2.gz XUBNRWRDDRFULA-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188823639 222029400 /nfs/dbraw/zinc/02/94/00/222029400.db2.gz XUBNRWRDDRFULA-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO CC(C)(O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189895774 222060896 /nfs/dbraw/zinc/06/08/96/222060896.db2.gz FFVMMNIORCYFQE-AWEZNQCLSA-N 1 1 324.377 1.570 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361075666 418578289 /nfs/dbraw/zinc/57/82/89/418578289.db2.gz CQBZEACTWVTGIC-MNOVXSKESA-N 1 1 306.366 1.849 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375028367 418589785 /nfs/dbraw/zinc/58/97/85/418589785.db2.gz CJZVNEMITLNGDK-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1c(CN2CCC[N@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375487321 418646868 /nfs/dbraw/zinc/64/68/68/418646868.db2.gz VSKKFGUQCOZBAB-ZDUSSCGKSA-N 1 1 307.394 1.792 20 5 DDBDMO CO[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371878 418638838 /nfs/dbraw/zinc/63/88/38/418638838.db2.gz JEAOLWLJVZJYHA-KBPBESRZSA-N 1 1 305.334 1.421 20 5 DDBDMO CO[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371878 418638839 /nfs/dbraw/zinc/63/88/39/418638839.db2.gz JEAOLWLJVZJYHA-KBPBESRZSA-N 1 1 305.334 1.421 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000375592096 418659906 /nfs/dbraw/zinc/65/99/06/418659906.db2.gz QOOKXMYQNBRCHT-QWRGUYRKSA-N 1 1 312.395 1.964 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924587 418822351 /nfs/dbraw/zinc/82/23/51/418822351.db2.gz AXJYWWQSPNTYKW-YUELXQCFSA-N 1 1 303.362 1.723 20 5 DDBDMO Cc1cc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364937290 418824402 /nfs/dbraw/zinc/82/44/02/418824402.db2.gz QHHFNVAXVFZYLV-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO COC1(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000365426242 418859731 /nfs/dbraw/zinc/85/97/31/418859731.db2.gz UXVYBMISGHFPKG-ZDUSSCGKSA-N 1 1 324.381 1.624 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000411413827 418901681 /nfs/dbraw/zinc/90/16/81/418901681.db2.gz AONLDTWRLPHYJY-PWSUYJOCSA-N 1 1 323.349 1.387 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943698 418915034 /nfs/dbraw/zinc/91/50/34/418915034.db2.gz CFPNLPUTFBOTBO-KBPBESRZSA-N 1 1 319.361 1.496 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044275 419590620 /nfs/dbraw/zinc/59/06/20/419590620.db2.gz WPPMAFWQJZSQIP-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044275 419590626 /nfs/dbraw/zinc/59/06/26/419590626.db2.gz WPPMAFWQJZSQIP-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000412076228 419627878 /nfs/dbraw/zinc/62/78/78/419627878.db2.gz IQXHISOIYHYLKA-GFCCVEGCSA-N 1 1 310.375 1.933 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]([NH3+])C1CC1 ZINC000414884727 419858599 /nfs/dbraw/zinc/85/85/99/419858599.db2.gz FZHOVYGFGKOITK-HZMBPMFUSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](N)C1CC1 ZINC000414884727 419858603 /nfs/dbraw/zinc/85/86/03/419858603.db2.gz FZHOVYGFGKOITK-HZMBPMFUSA-N 1 1 306.366 1.639 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000299382067 229087353 /nfs/dbraw/zinc/08/73/53/229087353.db2.gz VIIYCXFASDCTMB-FPYGCLRLSA-N 1 1 301.346 1.915 20 5 DDBDMO CN1CCNC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517858 420069570 /nfs/dbraw/zinc/06/95/70/420069570.db2.gz OJFZKFMBVPZIDI-GOEBONIOSA-N 1 1 304.394 1.465 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000430433662 420118947 /nfs/dbraw/zinc/11/89/47/420118947.db2.gz DBMUNVAQFRRCKH-UHFFFAOYSA-N 1 1 320.393 1.996 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581446 420322403 /nfs/dbraw/zinc/32/24/03/420322403.db2.gz GYJFMDNIKZYOLF-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000423992467 420296741 /nfs/dbraw/zinc/29/67/41/420296741.db2.gz GFTFMJOCCDTLAD-GFCCVEGCSA-N 1 1 315.333 1.413 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000457093340 420610050 /nfs/dbraw/zinc/61/00/50/420610050.db2.gz NYPGJWSLKWAJLB-NSHDSACASA-N 1 1 308.338 1.250 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000457103536 420615683 /nfs/dbraw/zinc/61/56/83/420615683.db2.gz BCCOXQFXPYEDAL-CQSZACIVSA-N 1 1 321.377 1.915 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000440960646 420622618 /nfs/dbraw/zinc/62/26/18/420622618.db2.gz RSDNCQPTSUYMEF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000440960646 420622621 /nfs/dbraw/zinc/62/26/21/420622621.db2.gz RSDNCQPTSUYMEF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CCOc1cc(C[N@H+](C)CCNC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000492726096 420642171 /nfs/dbraw/zinc/64/21/71/420642171.db2.gz ZCPTYLXEQHFSQS-UHFFFAOYSA-N 1 1 324.381 1.697 20 5 DDBDMO CCOc1cc(C[N@@H+](C)CCNC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000492726096 420642172 /nfs/dbraw/zinc/64/21/72/420642172.db2.gz ZCPTYLXEQHFSQS-UHFFFAOYSA-N 1 1 324.381 1.697 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443063901 420742403 /nfs/dbraw/zinc/74/24/03/420742403.db2.gz XISDSYYZYVVQII-STQMWFEESA-N 1 1 320.393 1.983 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000447994165 420831308 /nfs/dbraw/zinc/83/13/08/420831308.db2.gz TTWINYWTFATHKT-CYBMUJFWSA-N 1 1 321.381 1.654 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000459785948 420871606 /nfs/dbraw/zinc/87/16/06/420871606.db2.gz CPHHRPHAIRWGQY-UONOGXRCSA-N 1 1 308.382 1.664 20 5 DDBDMO Cc1nc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ncc1[N+](=O)[O-] ZINC000450384816 421191466 /nfs/dbraw/zinc/19/14/66/421191466.db2.gz CEQIYBURPAHTQM-LBPRGKRZSA-N 1 1 316.365 1.886 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561083112 421305153 /nfs/dbraw/zinc/30/51/53/421305153.db2.gz NFRBHOGIKMBLPC-LLVKDONJSA-N 1 1 321.381 1.566 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810968 421310805 /nfs/dbraw/zinc/31/08/05/421310805.db2.gz DRBANJHDLSYPCQ-SWLSCSKDSA-N 1 1 310.350 1.181 20 5 DDBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000563547531 421520637 /nfs/dbraw/zinc/52/06/37/421520637.db2.gz VNYFWYKXLQCKLU-WDEREUQCSA-N 1 1 321.381 1.586 20 5 DDBDMO CC(C)Oc1nc(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000566867376 421609029 /nfs/dbraw/zinc/60/90/29/421609029.db2.gz YTQLEYVDLVDROC-LLVKDONJSA-N 1 1 317.349 2.400 20 5 DDBDMO CNc1nccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566923421 421609846 /nfs/dbraw/zinc/60/98/46/421609846.db2.gz IAPSDPPAUXJFHE-LLVKDONJSA-N 1 1 321.381 1.634 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128840 421632577 /nfs/dbraw/zinc/63/25/77/421632577.db2.gz SWZXXCGQGZBWGH-OUCADQQQSA-N 1 1 320.393 1.736 20 5 DDBDMO CC(=O)NCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000570716104 421664565 /nfs/dbraw/zinc/66/45/65/421664565.db2.gz ZKCLJXNAXJXZDE-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCOCC1 ZINC000533445609 421674259 /nfs/dbraw/zinc/67/42/59/421674259.db2.gz YEHZNSOLWUQPKX-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000557556164 421778121 /nfs/dbraw/zinc/77/81/21/421778121.db2.gz VBGTZWDTCATVDI-NSHDSACASA-N 1 1 306.366 1.836 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21 ZINC000574999801 422234464 /nfs/dbraw/zinc/23/44/64/422234464.db2.gz SDAGXBYHKDJLDT-OTYXRUKQSA-N 1 1 315.333 1.384 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000578587013 422602404 /nfs/dbraw/zinc/60/24/04/422602404.db2.gz QWSQTLNOEYRZNS-LLVKDONJSA-N 1 1 305.334 1.268 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126311 /nfs/dbraw/zinc/12/63/11/271126311.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 1 1 322.409 1.561 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000345938382 272370027 /nfs/dbraw/zinc/37/00/27/272370027.db2.gz WMMSORNREDMMFW-BETUJISGSA-N 1 1 320.393 1.996 20 5 DDBDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155085874 274218783 /nfs/dbraw/zinc/21/87/83/274218783.db2.gz RENGXNFUOGPKPP-KBPBESRZSA-N 1 1 306.410 1.881 20 5 DDBDMO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCO ZINC000450452365 274369956 /nfs/dbraw/zinc/36/99/56/274369956.db2.gz MIZOZAXEHKOIAU-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000193822169 276167689 /nfs/dbraw/zinc/16/76/89/276167689.db2.gz RVOSCMSUFBJPTH-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000193822169 276167690 /nfs/dbraw/zinc/16/76/90/276167690.db2.gz RVOSCMSUFBJPTH-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247347530 282047678 /nfs/dbraw/zinc/04/76/78/282047678.db2.gz GLQMLHMIUYTUQV-MLGOLLRUSA-N 1 1 316.361 1.599 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362579777 300101371 /nfs/dbraw/zinc/10/13/71/300101371.db2.gz XRVFWAOSSOQKTB-ZBFHGGJFSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362579777 300101372 /nfs/dbraw/zinc/10/13/72/300101372.db2.gz XRVFWAOSSOQKTB-ZBFHGGJFSA-N 1 1 322.361 1.445 20 5 DDBDMO CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363063830 300205380 /nfs/dbraw/zinc/20/53/80/300205380.db2.gz MGCJALGHSIOWME-AWEZNQCLSA-N 1 1 319.409 1.595 20 5 DDBDMO CN(c1ncccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363063830 300205382 /nfs/dbraw/zinc/20/53/82/300205382.db2.gz MGCJALGHSIOWME-AWEZNQCLSA-N 1 1 319.409 1.595 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000363379681 300259867 /nfs/dbraw/zinc/25/98/67/300259867.db2.gz VHWKUBSIHYSSNX-UHFFFAOYSA-N 1 1 323.349 1.654 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350382 300382246 /nfs/dbraw/zinc/38/22/46/300382246.db2.gz XTEZEFSDJIXDSR-CABCVRRESA-N 1 1 321.381 1.267 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364451244 300398864 /nfs/dbraw/zinc/39/88/64/300398864.db2.gz XOMNTTZCINUWGM-CABCVRRESA-N 1 1 324.381 1.043 20 5 DDBDMO Cc1nn(C)c(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000369361438 301172502 /nfs/dbraw/zinc/17/25/02/301172502.db2.gz DOOUWPZYEHTIDV-NSHDSACASA-N 1 1 304.354 1.754 20 5 DDBDMO Cc1cc(C2=CC[N@H+]([C@@H](C)C(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000369906049 301237513 /nfs/dbraw/zinc/23/75/13/301237513.db2.gz KTKJTXYZGRQJPL-JTQLQIEISA-N 1 1 304.350 1.448 20 5 DDBDMO Cc1cc(C2=CC[N@@H+]([C@@H](C)C(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000369906049 301237515 /nfs/dbraw/zinc/23/75/15/301237515.db2.gz KTKJTXYZGRQJPL-JTQLQIEISA-N 1 1 304.350 1.448 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000377120687 302145935 /nfs/dbraw/zinc/14/59/35/302145935.db2.gz PWRLTOJAHNFMDV-QMMMGPOBSA-N 1 1 309.351 1.342 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000377120687 302145937 /nfs/dbraw/zinc/14/59/37/302145937.db2.gz PWRLTOJAHNFMDV-QMMMGPOBSA-N 1 1 309.351 1.342 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377260446 302160663 /nfs/dbraw/zinc/16/06/63/302160663.db2.gz DUQRMUCZLJJDHM-INIZCTEOSA-N 1 1 319.361 1.404 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362582531 307020923 /nfs/dbraw/zinc/02/09/23/307020923.db2.gz ZMLNMHIDHROUOH-SECBINFHSA-N 1 1 313.304 1.483 20 5 DDBDMO O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cc([N+](=O)[O-])ccc1F ZINC000364642052 307049216 /nfs/dbraw/zinc/04/92/16/307049216.db2.gz ZIZLQQJDTOHGCH-TXEJJXNPSA-N 1 1 323.324 1.926 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1cc([N+](=O)[O-])ccc1F ZINC000364642052 307049217 /nfs/dbraw/zinc/04/92/17/307049217.db2.gz ZIZLQQJDTOHGCH-TXEJJXNPSA-N 1 1 323.324 1.926 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]12 ZINC000366325109 307070989 /nfs/dbraw/zinc/07/09/89/307070989.db2.gz JEPKZPDASJPCHW-WDEREUQCSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]12 ZINC000366325109 307070990 /nfs/dbraw/zinc/07/09/90/307070990.db2.gz JEPKZPDASJPCHW-WDEREUQCSA-N 1 1 323.736 1.343 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000367142449 307087031 /nfs/dbraw/zinc/08/70/31/307087031.db2.gz WRUWXULKRUQLLF-LBPRGKRZSA-N 1 1 303.318 1.839 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000372358655 307168506 /nfs/dbraw/zinc/16/85/06/307168506.db2.gz NUEHCSSKQJCHBP-CQSZACIVSA-N 1 1 319.361 1.689 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000375270749 307219965 /nfs/dbraw/zinc/21/99/65/307219965.db2.gz VSNQKELPBSFYLM-RBSFLKMASA-N 1 1 318.377 1.218 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000377683739 307275853 /nfs/dbraw/zinc/27/58/53/307275853.db2.gz UZVIEAWEUMLMOZ-NWDGAFQWSA-N 1 1 305.334 1.042 20 5 DDBDMO Cn1c[nH+]cc1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000401885857 307297049 /nfs/dbraw/zinc/29/70/49/307297049.db2.gz TWWOZYIZSKNKDM-UHFFFAOYSA-N 1 1 304.335 1.988 20 5 DDBDMO Cc1nn(C)c(C(=O)NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000551975421 307813059 /nfs/dbraw/zinc/81/30/59/307813059.db2.gz WDBYXYDGUMDWCK-UHFFFAOYSA-N 1 1 318.337 1.100 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000570164202 308161031 /nfs/dbraw/zinc/16/10/31/308161031.db2.gz CILKVBRRBHDTGT-NSHDSACASA-N 1 1 321.381 1.211 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000571263522 308192877 /nfs/dbraw/zinc/19/28/77/308192877.db2.gz FLZDGTPQOAMEIC-GWCFXTLKSA-N 1 1 319.365 1.407 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384152 308275953 /nfs/dbraw/zinc/27/59/53/308275953.db2.gz GMFYCFXZOOUOFS-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384152 308275954 /nfs/dbraw/zinc/27/59/54/308275954.db2.gz GMFYCFXZOOUOFS-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384152 308275956 /nfs/dbraw/zinc/27/59/56/308275956.db2.gz GMFYCFXZOOUOFS-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000578156816 308442159 /nfs/dbraw/zinc/44/21/59/308442159.db2.gz GVBAQEPXBSEVIS-OAHLLOKOSA-N 1 1 312.329 1.777 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000375681024 483952197 /nfs/dbraw/zinc/95/21/97/483952197.db2.gz XCGDDSMIFWPQFI-XJKSGUPXSA-N 1 1 320.345 1.606 20 5 DDBDMO [NH3+]C1CCN(CCCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433131815 534566194 /nfs/dbraw/zinc/56/61/94/534566194.db2.gz LHGRUGGBLMYACJ-UHFFFAOYSA-N 1 1 320.393 1.414 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@@H+](C3CC3)CCO1)CCN2 ZINC000302483512 534884565 /nfs/dbraw/zinc/88/45/65/534884565.db2.gz XAXPIRQEDRDPAR-GFCCVEGCSA-N 1 1 318.377 1.838 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@H+](C3CC3)CCO1)CCN2 ZINC000302483512 534884567 /nfs/dbraw/zinc/88/45/67/534884567.db2.gz XAXPIRQEDRDPAR-GFCCVEGCSA-N 1 1 318.377 1.838 20 5 DDBDMO CC(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000292873493 527731428 /nfs/dbraw/zinc/73/14/28/527731428.db2.gz HVBRQFVAFYDCIO-OAHLLOKOSA-N 1 1 321.377 1.370 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])n1C ZINC000434062955 527895874 /nfs/dbraw/zinc/89/58/74/527895874.db2.gz PIDWIYZNIOZQER-NEPJUHHUSA-N 1 1 306.366 1.632 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000331744405 528548142 /nfs/dbraw/zinc/54/81/42/528548142.db2.gz YFZFDLCICWNKPK-PWSUYJOCSA-N 1 1 321.381 1.627 20 5 DDBDMO CC(C)[N@H+](Cc1cccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305712143 528956745 /nfs/dbraw/zinc/95/67/45/528956745.db2.gz YFLOAENFMACBBY-HNNXBMFYSA-N 1 1 319.365 1.458 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000101958618 696609472 /nfs/dbraw/zinc/60/94/72/696609472.db2.gz RKGJKXRKPQAGMZ-UHFFFAOYSA-N 1 1 322.321 1.717 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000102653124 696611255 /nfs/dbraw/zinc/61/12/55/696611255.db2.gz PJZDNQWIHOWYCO-VIFPVBQESA-N 1 1 310.354 1.639 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000102653124 696611256 /nfs/dbraw/zinc/61/12/56/696611256.db2.gz PJZDNQWIHOWYCO-VIFPVBQESA-N 1 1 310.354 1.639 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000108342956 696633748 /nfs/dbraw/zinc/63/37/48/696633748.db2.gz NOQQHHRJWJYGMF-SNVBAGLBSA-N 1 1 322.321 1.575 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000127001747 696767181 /nfs/dbraw/zinc/76/71/81/696767181.db2.gz VSPMIRXRCBAVBF-LLVKDONJSA-N 1 1 318.782 1.915 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191556 700127706 /nfs/dbraw/zinc/12/77/06/700127706.db2.gz NAELIFJNSVYBRE-OCCSQVGLSA-N 1 1 317.349 1.037 20 5 DDBDMO Cc1c(NC(=O)CC[NH+]2CC(O)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000773892152 697819382 /nfs/dbraw/zinc/81/93/82/697819382.db2.gz FFADVGSISWNNJK-UHFFFAOYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749951792 700193713 /nfs/dbraw/zinc/19/37/13/700193713.db2.gz CVHUJLKVBKSUPM-LBPRGKRZSA-N 1 1 319.365 1.964 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000776590555 698123570 /nfs/dbraw/zinc/12/35/70/698123570.db2.gz HXRIEMHAGDTDMN-AWEZNQCLSA-N 1 1 308.334 1.467 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000776590555 698123573 /nfs/dbraw/zinc/12/35/73/698123573.db2.gz HXRIEMHAGDTDMN-AWEZNQCLSA-N 1 1 308.334 1.467 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590327 698123862 /nfs/dbraw/zinc/12/38/62/698123862.db2.gz ZNRKORDBTXXAMA-XJKSGUPXSA-N 1 1 324.377 1.613 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778264323 698254826 /nfs/dbraw/zinc/25/48/26/698254826.db2.gz XHGUDTMRFGLGFF-LLVKDONJSA-N 1 1 313.304 1.897 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778264323 698254828 /nfs/dbraw/zinc/25/48/28/698254828.db2.gz XHGUDTMRFGLGFF-LLVKDONJSA-N 1 1 313.304 1.897 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000741721810 699848841 /nfs/dbraw/zinc/84/88/41/699848841.db2.gz CQUXNWNRGOJRKG-NWDGAFQWSA-N 1 1 320.393 1.873 20 5 DDBDMO COC[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742153834 699861850 /nfs/dbraw/zinc/86/18/50/699861850.db2.gz VXPGLBKSPOTYJO-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742153834 699861853 /nfs/dbraw/zinc/86/18/53/699861853.db2.gz VXPGLBKSPOTYJO-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801939519 700358378 /nfs/dbraw/zinc/35/83/78/700358378.db2.gz FNPHLGVIWLEHOA-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1C ZINC000801939519 700358381 /nfs/dbraw/zinc/35/83/81/700358381.db2.gz FNPHLGVIWLEHOA-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000767430305 701106308 /nfs/dbraw/zinc/10/63/08/701106308.db2.gz QSLHBVRFYPMORQ-LBPRGKRZSA-N 1 1 304.350 1.845 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OCCCn1cc[nH+]c1C ZINC000767618638 701123540 /nfs/dbraw/zinc/12/35/40/701123540.db2.gz VDCDSPPIQOOAEL-UHFFFAOYSA-N 1 1 307.310 1.238 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000771995546 701339688 /nfs/dbraw/zinc/33/96/88/701339688.db2.gz RMUZQASPPKJGHW-UHFFFAOYSA-N 1 1 308.269 1.678 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000808205399 701507368 /nfs/dbraw/zinc/50/73/68/701507368.db2.gz DATVLOJZKCRZGX-CYBMUJFWSA-N 1 1 321.381 1.310 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000808205399 701507370 /nfs/dbraw/zinc/50/73/70/701507370.db2.gz DATVLOJZKCRZGX-CYBMUJFWSA-N 1 1 321.381 1.310 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000868062298 701920744 /nfs/dbraw/zinc/92/07/44/701920744.db2.gz KJWFUVRYWCCNCI-UONOGXRCSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000866208676 706649256 /nfs/dbraw/zinc/64/92/56/706649256.db2.gz KJNKXKOGPUMAFU-GWCFXTLKSA-N 1 1 304.350 1.224 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000843113557 702821624 /nfs/dbraw/zinc/82/16/24/702821624.db2.gz WZPCSHJMYZXRBC-HOCLYGCPSA-N 1 1 323.393 1.065 20 5 DDBDMO C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365767 702867312 /nfs/dbraw/zinc/86/73/12/702867312.db2.gz RPCIXLZEMSHCPG-MNOVXSKESA-N 1 1 324.356 1.732 20 5 DDBDMO O=C1[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000844457772 703034076 /nfs/dbraw/zinc/03/40/76/703034076.db2.gz ZPQBAURUDNIEEH-XQQFMLRXSA-N 1 1 323.299 1.897 20 5 DDBDMO O=C1[C@@H]([N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000844457772 703034078 /nfs/dbraw/zinc/03/40/78/703034078.db2.gz ZPQBAURUDNIEEH-XQQFMLRXSA-N 1 1 323.299 1.897 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847827375 703473765 /nfs/dbraw/zinc/47/37/65/703473765.db2.gz PFULRFHUMFBASK-LBPRGKRZSA-N 1 1 310.354 1.375 20 5 DDBDMO C[N@@H+]1CC[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582255 703565596 /nfs/dbraw/zinc/56/55/96/703565596.db2.gz JSPHDHUJEPBRDE-SECBINFHSA-N 1 1 315.276 1.387 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582255 703565598 /nfs/dbraw/zinc/56/55/98/703565598.db2.gz JSPHDHUJEPBRDE-SECBINFHSA-N 1 1 315.276 1.387 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)N1 ZINC000852300236 704001893 /nfs/dbraw/zinc/00/18/93/704001893.db2.gz MFKPPRQTPOEBNL-UHFFFAOYSA-N 1 1 317.345 1.843 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852316929 704010307 /nfs/dbraw/zinc/01/03/07/704010307.db2.gz ISGARTCVTFGWAE-NSHDSACASA-N 1 1 305.313 1.848 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412705 704038248 /nfs/dbraw/zinc/03/82/48/704038248.db2.gz YDVZQMQTBDHKNW-HUUCEWRRSA-N 1 1 310.350 1.102 20 5 DDBDMO CCC[N@@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981752 704042024 /nfs/dbraw/zinc/04/20/24/704042024.db2.gz YFTGFRGSOQYMPU-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981752 704042027 /nfs/dbraw/zinc/04/20/27/704042027.db2.gz YFTGFRGSOQYMPU-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000852500985 704064491 /nfs/dbraw/zinc/06/44/91/704064491.db2.gz HFWBVBZQQYVKLA-JKSUJKDBSA-N 1 1 306.362 1.865 20 5 DDBDMO C[N@@H+](C[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000819149149 704076324 /nfs/dbraw/zinc/07/63/24/704076324.db2.gz HSCSTNCHXDUMJB-CYBMUJFWSA-N 1 1 313.785 1.793 20 5 DDBDMO Cn1cc(Cl)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819346626 704111085 /nfs/dbraw/zinc/11/10/85/704111085.db2.gz HABLMQURBPQTBT-ZDUSSCGKSA-N 1 1 310.741 1.805 20 5 DDBDMO C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871153715 704232505 /nfs/dbraw/zinc/23/25/05/704232505.db2.gz SEYNFMUPKKLRSH-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000853540924 704263511 /nfs/dbraw/zinc/26/35/11/704263511.db2.gz NABGZEHPLIHRSI-JTQLQIEISA-N 1 1 302.338 1.690 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565929 704271684 /nfs/dbraw/zinc/27/16/84/704271684.db2.gz KQZQQFKFJRNRFM-WFASDCNBSA-N 1 1 302.334 1.870 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000854497612 704408089 /nfs/dbraw/zinc/40/80/89/704408089.db2.gz RZEMNJJXDOZEIK-SNVBAGLBSA-N 1 1 310.379 1.553 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000854497612 704408091 /nfs/dbraw/zinc/40/80/91/704408091.db2.gz RZEMNJJXDOZEIK-SNVBAGLBSA-N 1 1 310.379 1.553 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855163810 704471791 /nfs/dbraw/zinc/47/17/91/704471791.db2.gz GIXVDKDEPLLODO-NSHDSACASA-N 1 1 306.366 1.780 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832455869 706917986 /nfs/dbraw/zinc/91/79/86/706917986.db2.gz REHSAVYATGEDOV-DGCLKSJQSA-N 1 1 311.294 1.397 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834924 705191976 /nfs/dbraw/zinc/19/19/76/705191976.db2.gz VSDQGCGDVDSDSB-NWDGAFQWSA-N 1 1 304.350 1.486 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352440 705441482 /nfs/dbraw/zinc/44/14/82/705441482.db2.gz JDISQSIEPGTBPT-SMDDNHRTSA-N 1 1 302.371 1.474 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877130 710871125 /nfs/dbraw/zinc/87/11/25/710871125.db2.gz UNAMCPZWJXPKNV-ZDUSSCGKSA-N 1 1 320.393 1.921 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312337 705973366 /nfs/dbraw/zinc/97/33/66/705973366.db2.gz UNMORWJSMQSIBG-AAEUAGOBSA-N 1 1 318.377 1.652 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827328220 705976357 /nfs/dbraw/zinc/97/63/57/705976357.db2.gz DFQWIIHZFAYDNH-WCQYABFASA-N 1 1 321.381 1.079 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827338669 705979587 /nfs/dbraw/zinc/97/95/87/705979587.db2.gz PZSGNMIGLFJPAO-OCCSQVGLSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827363509 705985576 /nfs/dbraw/zinc/98/55/76/705985576.db2.gz BBEAWCZSVYSKJX-WFASDCNBSA-N 1 1 319.361 1.526 20 5 DDBDMO CCCN1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877143096 705995589 /nfs/dbraw/zinc/99/55/89/705995589.db2.gz DKLKYGQFCNFXJB-UHFFFAOYSA-N 1 1 307.398 1.959 20 5 DDBDMO O=[N+]([O-])c1c(N[C@H]2CCC[N@H+](CCCO)C2)nc2ccccn21 ZINC000828461380 706184186 /nfs/dbraw/zinc/18/41/86/706184186.db2.gz VHIYYYYQFSFHEG-LBPRGKRZSA-N 1 1 319.365 1.501 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1Cl ZINC000877765073 706202170 /nfs/dbraw/zinc/20/21/70/706202170.db2.gz SQWCJLIINCGXML-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1Cl ZINC000877765073 706202172 /nfs/dbraw/zinc/20/21/72/706202172.db2.gz SQWCJLIINCGXML-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146548 706892163 /nfs/dbraw/zinc/89/21/63/706892163.db2.gz UOIKTJDBTOGWEX-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146548 706892166 /nfs/dbraw/zinc/89/21/66/706892166.db2.gz UOIKTJDBTOGWEX-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880311478 706937537 /nfs/dbraw/zinc/93/75/37/706937537.db2.gz IDPVNZGVHSDACN-IJEWVQPXSA-N 1 1 319.361 1.038 20 5 DDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000832708512 706967743 /nfs/dbraw/zinc/96/77/43/706967743.db2.gz LQHBNJZSLHKCOG-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000832708512 706967745 /nfs/dbraw/zinc/96/77/45/706967745.db2.gz LQHBNJZSLHKCOG-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880436983 706975540 /nfs/dbraw/zinc/97/55/40/706975540.db2.gz DWCBGRPFGQCERA-DZGCQCFKSA-N 1 1 310.350 1.839 20 5 DDBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880581102 707025639 /nfs/dbraw/zinc/02/56/39/707025639.db2.gz WPWVSWRUGHOGKO-AWEZNQCLSA-N 1 1 322.361 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880581102 707025641 /nfs/dbraw/zinc/02/56/41/707025641.db2.gz WPWVSWRUGHOGKO-AWEZNQCLSA-N 1 1 322.361 1.664 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000880613189 707041347 /nfs/dbraw/zinc/04/13/47/707041347.db2.gz NTXCVIFWUWIVKB-CQSZACIVSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)(CCC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)[N+](=O)[O-] ZINC000834591782 707090805 /nfs/dbraw/zinc/09/08/05/707090805.db2.gz DMTSSYMXDJAHGX-RYUDHWBXSA-N 1 1 301.362 1.467 20 5 DDBDMO C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000882232814 707550649 /nfs/dbraw/zinc/55/06/49/707550649.db2.gz AVKLDDQLKJYEPD-JTQLQIEISA-N 1 1 312.345 1.410 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)N1CCN(C)CC1 ZINC000873044068 707706020 /nfs/dbraw/zinc/70/60/20/707706020.db2.gz ASJQGEZKZQDMJT-CQSZACIVSA-N 1 1 320.437 1.937 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149916 707855196 /nfs/dbraw/zinc/85/51/96/707855196.db2.gz QVFGMSBKQPIDNR-SWLSCSKDSA-N 1 1 321.377 1.476 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827925 708855622 /nfs/dbraw/zinc/85/56/22/708855622.db2.gz UFWDTHKRSMIRMS-ZFWWWQNUSA-N 1 1 319.361 1.695 20 5 DDBDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841648 708859292 /nfs/dbraw/zinc/85/92/92/708859292.db2.gz RLAJDBNPGDCLFN-QLFBSQMISA-N 1 1 320.393 1.851 20 5 DDBDMO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402449 709037354 /nfs/dbraw/zinc/03/73/54/709037354.db2.gz CDMRAWQHEIGACO-RISCZKNCSA-N 1 1 307.350 1.145 20 5 DDBDMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402449 709037356 /nfs/dbraw/zinc/03/73/56/709037356.db2.gz CDMRAWQHEIGACO-RISCZKNCSA-N 1 1 307.350 1.145 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910281354 709863258 /nfs/dbraw/zinc/86/32/58/709863258.db2.gz WUBRYEMGKNMRRW-SNVBAGLBSA-N 1 1 308.338 1.252 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000893374735 710622544 /nfs/dbraw/zinc/62/25/44/710622544.db2.gz QSMXOVZJRRTJGU-LLVKDONJSA-N 1 1 324.381 1.280 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000928444783 713198839 /nfs/dbraw/zinc/19/88/39/713198839.db2.gz MLGGHNJTRINTNB-GXSJLCMTSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000928450122 713202314 /nfs/dbraw/zinc/20/23/14/713202314.db2.gz SHNDEZSYVZZIEP-CABZTGNLSA-N 1 1 321.333 1.188 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000913533604 713247874 /nfs/dbraw/zinc/24/78/74/713247874.db2.gz UISBWEYGURZIFI-BETUJISGSA-N 1 1 307.325 1.581 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895249673 711466238 /nfs/dbraw/zinc/46/62/38/711466238.db2.gz WOFKARMZULHBHF-NWDGAFQWSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895249673 711466240 /nfs/dbraw/zinc/46/62/40/711466240.db2.gz WOFKARMZULHBHF-NWDGAFQWSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895249673 711466242 /nfs/dbraw/zinc/46/62/42/711466242.db2.gz WOFKARMZULHBHF-NWDGAFQWSA-N 1 1 318.381 1.289 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895708878 711584768 /nfs/dbraw/zinc/58/47/68/711584768.db2.gz WROMTKCVXLZSKZ-INIZCTEOSA-N 1 1 322.361 1.828 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895708878 711584770 /nfs/dbraw/zinc/58/47/70/711584770.db2.gz WROMTKCVXLZSKZ-INIZCTEOSA-N 1 1 322.361 1.828 20 5 DDBDMO Cc1cc(NC[C@@H]2CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895771039 711602044 /nfs/dbraw/zinc/60/20/44/711602044.db2.gz FYMFXSRAIYMIBY-AWEZNQCLSA-N 1 1 313.361 1.898 20 5 DDBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896554422 711749980 /nfs/dbraw/zinc/74/99/80/711749980.db2.gz FLPQDDBXTWJUFP-IINYFYTJSA-N 1 1 324.356 1.098 20 5 DDBDMO Cn1cc(C[NH2+]CC2(N)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904444304 711859547 /nfs/dbraw/zinc/85/95/47/711859547.db2.gz PZLCYNVXVSSCLN-UHFFFAOYSA-N 1 1 301.350 1.576 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000914566570 713397282 /nfs/dbraw/zinc/39/72/82/713397282.db2.gz UINBMJVRVBNRTR-UHFFFAOYSA-N 1 1 307.379 1.628 20 5 DDBDMO COc1cc(OC)cc(N2CCC[N@H+](CC[N+](=O)[O-])CC2)c1 ZINC000929829775 713699622 /nfs/dbraw/zinc/69/96/22/713699622.db2.gz VIUJBBIBINJBGF-UHFFFAOYSA-N 1 1 309.366 1.493 20 5 DDBDMO COc1cc(OC)cc(N2CCC[N@@H+](CC[N+](=O)[O-])CC2)c1 ZINC000929829775 713699623 /nfs/dbraw/zinc/69/96/23/713699623.db2.gz VIUJBBIBINJBGF-UHFFFAOYSA-N 1 1 309.366 1.493 20 5 DDBDMO COC/C(C)=C\C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000930681229 713894464 /nfs/dbraw/zinc/89/44/64/713894464.db2.gz UKJUGHWQAUTBOS-ACAGNQJTSA-N 1 1 306.366 1.705 20 5 DDBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000922167839 713980928 /nfs/dbraw/zinc/98/09/28/713980928.db2.gz GYRKRBHXFFHQOL-AAEUAGOBSA-N 1 1 306.366 1.795 20 5 DDBDMO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043574 713989311 /nfs/dbraw/zinc/98/93/11/713989311.db2.gz QQULNZKQEVDCKO-GXTWGEPZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043574 713989315 /nfs/dbraw/zinc/98/93/15/713989315.db2.gz QQULNZKQEVDCKO-GXTWGEPZSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1c(CN2CCC(O)(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000931485958 714109101 /nfs/dbraw/zinc/10/91/01/714109101.db2.gz IJDUSPMNYBCTRF-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCn2cc[nH+]c21 ZINC000931523937 714119013 /nfs/dbraw/zinc/11/90/13/714119013.db2.gz KUSMTZALERNPQH-UHFFFAOYSA-N 1 1 301.306 1.558 20 5 DDBDMO CC1(C)C[NH2+]CC[C@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923369575 714330454 /nfs/dbraw/zinc/33/04/54/714330454.db2.gz KZNCDGMDVNUSMO-IUODEOHRSA-N 1 1 323.393 1.312 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000932931960 714439714 /nfs/dbraw/zinc/43/97/14/714439714.db2.gz QNJXTYWWHVEPQL-UHFFFAOYSA-N 1 1 305.334 1.456 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000932931960 714439715 /nfs/dbraw/zinc/43/97/15/714439715.db2.gz QNJXTYWWHVEPQL-UHFFFAOYSA-N 1 1 305.334 1.456 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000933040817 714506290 /nfs/dbraw/zinc/50/62/90/714506290.db2.gz LLIQHOWCSZUEEN-ZDUSSCGKSA-N 1 1 323.324 1.119 20 5 DDBDMO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000933557984 714615750 /nfs/dbraw/zinc/61/57/50/714615750.db2.gz HSVQRFYSTRMOQT-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000933557984 714615752 /nfs/dbraw/zinc/61/57/52/714615752.db2.gz HSVQRFYSTRMOQT-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO O=C1NCCN1CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000933591580 714626300 /nfs/dbraw/zinc/62/63/00/714626300.db2.gz HJZNZOGXEKYBGW-UHFFFAOYSA-N 1 1 324.406 1.894 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933745564 714661625 /nfs/dbraw/zinc/66/16/25/714661625.db2.gz REEJUTKIDHWOKE-CJNGLKHVSA-N 1 1 305.378 1.857 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933967802 714710808 /nfs/dbraw/zinc/71/08/08/714710808.db2.gz PMSBHPRTTJUNQF-SOUVJXGZSA-N 1 1 308.334 1.118 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933967802 714710810 /nfs/dbraw/zinc/71/08/10/714710810.db2.gz PMSBHPRTTJUNQF-SOUVJXGZSA-N 1 1 308.334 1.118 20 5 DDBDMO C[C@H]1[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@H+]1C ZINC000925333470 714815585 /nfs/dbraw/zinc/81/55/85/714815585.db2.gz FCMYAZQJCBSDHA-SMDDNHRTSA-N 1 1 318.377 1.755 20 5 DDBDMO C[C@]12CSC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000934770249 714897980 /nfs/dbraw/zinc/89/79/80/714897980.db2.gz JOOGOZOEIFBWJO-RISCZKNCSA-N 1 1 309.391 1.441 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832074 714912713 /nfs/dbraw/zinc/91/27/13/714912713.db2.gz NIFDRDMJQCTBSO-CHWSQXEVSA-N 1 1 308.382 1.967 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000934951501 714937263 /nfs/dbraw/zinc/93/72/63/714937263.db2.gz OUSWEQNSECMHQU-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000935663226 715112639 /nfs/dbraw/zinc/11/26/39/715112639.db2.gz PTQBLFVXBLGYAW-ZDUSSCGKSA-N 1 1 321.381 1.233 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164669130 719379593 /nfs/dbraw/zinc/37/95/93/719379593.db2.gz QBKCUQXSDZXWPF-ZIAGYGMSSA-N 1 1 315.333 1.057 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165039388 721907147 /nfs/dbraw/zinc/90/71/47/721907147.db2.gz SKLLZQKMNSWGCW-GFCCVEGCSA-N 1 1 322.365 1.299 20 5 DDBDMO Cc1ccccc1OCCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126948847 742989077 /nfs/dbraw/zinc/98/90/77/742989077.db2.gz JLMCDXLFAILGRH-ZIAGYGMSSA-N 1 1 321.377 1.135 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897167 746231006 /nfs/dbraw/zinc/23/10/06/746231006.db2.gz BKEPZGVATJVOPQ-WDEREUQCSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C1CCCC1 ZINC001197798468 747268029 /nfs/dbraw/zinc/26/80/29/747268029.db2.gz MRXIVLYEKUMLCD-ZDUSSCGKSA-N 1 1 307.398 1.740 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996428386 749586108 /nfs/dbraw/zinc/58/61/08/749586108.db2.gz AKXOCIMZUYPDNV-HUUCEWRRSA-N 1 1 307.394 1.733 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CC2CCCC2)CC1 ZINC001005380757 749949767 /nfs/dbraw/zinc/94/97/67/749949767.db2.gz GHGBALZHJDLMHQ-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095625494 750092667 /nfs/dbraw/zinc/09/26/67/750092667.db2.gz SUVUKORDNMWTLD-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001157011151 764294599 /nfs/dbraw/zinc/29/45/99/764294599.db2.gz XHJFJNPCEFXKHV-SNVBAGLBSA-N 1 1 309.326 1.817 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC001137492696 766350128 /nfs/dbraw/zinc/35/01/28/766350128.db2.gz XKJYELPGUCOFHQ-RNFRBKRXSA-N 1 1 313.745 1.326 20 5 DDBDMO C[NH+](C)CC1(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001132993494 769401737 /nfs/dbraw/zinc/40/17/37/769401737.db2.gz WURSMINDUVDPSJ-UHFFFAOYSA-N 1 1 320.393 1.142 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093771092 775068340 /nfs/dbraw/zinc/06/83/40/775068340.db2.gz XJXZWILZFHJJKM-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO Cc1nc(NCCCNC(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001094456936 775895945 /nfs/dbraw/zinc/89/59/45/775895945.db2.gz VJQMMURAMFDJBS-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO C[C@@H]1C(=O)NCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908136 776917766 /nfs/dbraw/zinc/91/77/66/776917766.db2.gz BCKJZTCGPQFMBT-RISCZKNCSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H]1C(=O)NCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908136 776917768 /nfs/dbraw/zinc/91/77/68/776917768.db2.gz BCKJZTCGPQFMBT-RISCZKNCSA-N 1 1 303.362 1.663 20 5 DDBDMO CNC(=O)CC[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918259 776931106 /nfs/dbraw/zinc/93/11/06/776931106.db2.gz ZXDRJSBERIRREM-AWEZNQCLSA-N 1 1 305.378 1.910 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC001173229406 777063737 /nfs/dbraw/zinc/06/37/37/777063737.db2.gz UJYDXJXLWBRFSG-CYBMUJFWSA-N 1 1 320.393 1.825 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101634615 777331126 /nfs/dbraw/zinc/33/11/26/777331126.db2.gz FJAXGOUXQTULSZ-UHFFFAOYSA-N 1 1 318.337 1.065 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101705841 777416379 /nfs/dbraw/zinc/41/63/79/777416379.db2.gz ZPWWBGFMXCCKDQ-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO COc1cc(C[NH2+]CC(=O)NCC(C)C)c([N+](=O)[O-])cc1O ZINC001177712374 778710185 /nfs/dbraw/zinc/71/01/85/778710185.db2.gz JJNRBKAXVRFVBS-UHFFFAOYSA-N 1 1 311.338 1.171 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001116009681 780467137 /nfs/dbraw/zinc/46/71/37/780467137.db2.gz OSYZHQCKEPXUBH-LBPRGKRZSA-N 1 1 318.377 1.851 20 5 DDBDMO Cc1c(-c2nnc(C[NH+](C)C)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001118070289 781015690 /nfs/dbraw/zinc/01/56/90/781015690.db2.gz BXGIFLXXTPQIQZ-UHFFFAOYSA-N 1 1 307.266 1.923 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001122253110 858725874 /nfs/dbraw/zinc/72/58/74/858725874.db2.gz JPEWXZSXYKDPDM-IAQYHMDHSA-N 1 1 307.350 1.406 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123318758 859173294 /nfs/dbraw/zinc/17/32/94/859173294.db2.gz SGLIXIFVRFAHAZ-RISCZKNCSA-N 1 1 321.381 1.351 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001157002495 863510804 /nfs/dbraw/zinc/51/08/04/863510804.db2.gz ZMWPYRXBUPYQRY-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1ccc(-c2ccc(-n3cnc(C[NH3+])n3)nn2)cc1[N+](=O)[O-] ZINC001157928857 864272863 /nfs/dbraw/zinc/27/28/63/864272863.db2.gz XURJUGJYAOXLPK-UHFFFAOYSA-N 1 1 311.305 1.400 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001158494957 864688618 /nfs/dbraw/zinc/68/86/18/864688618.db2.gz TWFKNBRYSKAGDN-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001160472390 865867973 /nfs/dbraw/zinc/86/79/73/865867973.db2.gz CTCWNKXOGCFYKF-XYYAHUGASA-N 1 1 306.366 1.964 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001161135625 866399016 /nfs/dbraw/zinc/39/90/16/866399016.db2.gz INYHQAKYTQVCJF-UHFFFAOYSA-N 1 1 321.381 1.229 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001320576756 866850071 /nfs/dbraw/zinc/85/00/71/866850071.db2.gz ZOKZOIBGIOBMSB-ZDUSSCGKSA-N 1 1 306.366 1.457 20 5 DDBDMO COCCOCC[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001335062343 868037568 /nfs/dbraw/zinc/03/75/68/868037568.db2.gz QGZKOGQCPBXWIK-UHFFFAOYSA-N 1 1 314.338 1.404 20 5 DDBDMO COCCOCC[N@@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001335062343 868037587 /nfs/dbraw/zinc/03/75/87/868037587.db2.gz QGZKOGQCPBXWIK-UHFFFAOYSA-N 1 1 314.338 1.404 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@H](F)[C@@H](O)CC2)ncc1[N+](=O)[O-] ZINC001164237330 869045149 /nfs/dbraw/zinc/04/51/49/869045149.db2.gz JHXOLOBMZRCXDI-CIYRCRHJSA-N 1 1 324.356 1.821 20 5 DDBDMO CCN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)C1CN(C)C1 ZINC001165190187 869420919 /nfs/dbraw/zinc/42/09/19/869420919.db2.gz SABZBGQLVUQUOQ-SREVYHEPSA-N 1 1 305.382 1.662 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC001337678384 869592349 /nfs/dbraw/zinc/59/23/49/869592349.db2.gz HTXRCCITBIOMGR-ABAIWWIYSA-N 1 1 308.382 1.650 20 5 DDBDMO CC[N@H+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC001338461282 869990670 /nfs/dbraw/zinc/99/06/70/869990670.db2.gz KXYDTMACCSGZMN-SNVBAGLBSA-N 1 1 319.369 1.249 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303799175 871155540 /nfs/dbraw/zinc/15/55/40/871155540.db2.gz DHFCYMBXQYIYGB-CABZTGNLSA-N 1 1 311.769 2.000 20 5 DDBDMO Cc1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[N+](=O)[O-] ZINC001307992686 871461662 /nfs/dbraw/zinc/46/16/62/871461662.db2.gz MMXUQQZNPQUSKI-YGRLFVJLSA-N 1 1 320.305 1.612 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001308108818 871471986 /nfs/dbraw/zinc/47/19/86/871471986.db2.gz MKFPHSMQZMAEDC-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@]23CCCOC3)c1 ZINC001308171584 871478143 /nfs/dbraw/zinc/47/81/43/871478143.db2.gz VKCLWKIADIORFB-HUUCEWRRSA-N 1 1 324.381 1.187 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001343401438 872610819 /nfs/dbraw/zinc/61/08/19/872610819.db2.gz UIFPXGPEYQBEJQ-MEDUHNTESA-N 1 1 318.377 1.660 20 5 DDBDMO CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001345464656 873412652 /nfs/dbraw/zinc/41/26/52/873412652.db2.gz AJSKPXZKMPDTEP-GZBFAFLISA-N 1 1 307.350 1.405 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001350606268 875782180 /nfs/dbraw/zinc/78/21/80/875782180.db2.gz RJITZYHAESPYMA-LLVKDONJSA-N 1 1 307.354 1.783 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175249149 875871194 /nfs/dbraw/zinc/87/11/94/875871194.db2.gz IVONJECVJHBZHT-ZDUSSCGKSA-N 1 1 321.377 1.951 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC001353381044 877289873 /nfs/dbraw/zinc/28/98/73/877289873.db2.gz VCZPPKUIGIVHSD-SCRDCRAPSA-N 1 1 321.352 1.733 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001472059017 877631619 /nfs/dbraw/zinc/63/16/19/877631619.db2.gz RQPYGYMVEUITRT-CYBMUJFWSA-N 1 1 306.366 1.637 20 5 DDBDMO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001229454844 883993086 /nfs/dbraw/zinc/99/30/86/883993086.db2.gz RGEWWXDICQYJOG-CQSZACIVSA-N 1 1 315.329 1.882 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001254553294 896499357 /nfs/dbraw/zinc/49/93/57/896499357.db2.gz UQIKMOKMRJMVPR-DAXOMENPSA-N 1 1 308.378 1.591 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001263832679 900748565 /nfs/dbraw/zinc/74/85/65/900748565.db2.gz VQQCGXSPGNDHQI-LXTVHRRPSA-N 1 1 309.410 1.716 20 5 DDBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccccc1F ZINC001265844992 902482184 /nfs/dbraw/zinc/48/21/84/902482184.db2.gz ABXCKNYPVHOZQI-UKRRQHHQSA-N 1 1 323.368 1.472 20 5 DDBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccccc1F ZINC001265844992 902482191 /nfs/dbraw/zinc/48/21/91/902482191.db2.gz ABXCKNYPVHOZQI-UKRRQHHQSA-N 1 1 323.368 1.472 20 5 DDBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccccc1F ZINC001265844992 902482197 /nfs/dbraw/zinc/48/21/97/902482197.db2.gz ABXCKNYPVHOZQI-UKRRQHHQSA-N 1 1 323.368 1.472 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000249008425 282127171 /nfs/dbraw/zinc/12/71/71/282127171.db2.gz ZWDVSFFSCBOUHW-MFKMUULPSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000249008425 282127174 /nfs/dbraw/zinc/12/71/74/282127174.db2.gz ZWDVSFFSCBOUHW-MFKMUULPSA-N 1 1 323.349 1.245 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864617 231216053 /nfs/dbraw/zinc/21/60/53/231216053.db2.gz ZXEVRKUAACTEAM-KGLIPLIRSA-N 1 1 321.377 1.646 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452106356 231303574 /nfs/dbraw/zinc/30/35/74/231303574.db2.gz ZZRYPORAAGHOSH-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452106356 231303576 /nfs/dbraw/zinc/30/35/76/231303576.db2.gz ZZRYPORAAGHOSH-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452391797 231375688 /nfs/dbraw/zinc/37/56/88/231375688.db2.gz QKEFCNSDQXJTLT-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1cccc(NCCNc2ncc([N+](=O)[O-])cc2C(N)=O)[nH+]1 ZINC000358193592 299097193 /nfs/dbraw/zinc/09/71/93/299097193.db2.gz NGABRHCCBLSULB-UHFFFAOYSA-N 1 1 316.321 1.316 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413149590 530070272 /nfs/dbraw/zinc/07/02/72/530070272.db2.gz VAHCVMPHWOXKCH-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413149590 530070274 /nfs/dbraw/zinc/07/02/74/530070274.db2.gz VAHCVMPHWOXKCH-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413149590 530070275 /nfs/dbraw/zinc/07/02/75/530070275.db2.gz VAHCVMPHWOXKCH-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO O=[N+]([O-])c1nn(CCC[NH+]2CCOCC2)cc1Br ZINC000330767476 232053748 /nfs/dbraw/zinc/05/37/48/232053748.db2.gz WMQRTTWZWHMBMM-UHFFFAOYSA-N 1 1 319.159 1.276 20 5 DDBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677537 215053119 /nfs/dbraw/zinc/05/31/19/215053119.db2.gz DZPJWMIDIFDAMA-SMDDNHRTSA-N 1 1 321.377 1.819 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000150726838 186060843 /nfs/dbraw/zinc/06/08/43/186060843.db2.gz PYXIQNHBHHSKTL-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000063116542 352905632 /nfs/dbraw/zinc/90/56/32/352905632.db2.gz JHXUXSDRPXVHBT-UHFFFAOYSA-N 1 1 302.334 1.900 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000069137843 353147318 /nfs/dbraw/zinc/14/73/18/353147318.db2.gz TUBMIAMPHDXFNI-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000173868688 198261717 /nfs/dbraw/zinc/26/17/17/198261717.db2.gz JNSJNBKBZXSGJD-ZDUSSCGKSA-N 1 1 321.377 1.222 20 5 DDBDMO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCC[N@@H+](C)C1 ZINC000182168394 199397230 /nfs/dbraw/zinc/39/72/30/199397230.db2.gz YXIUUOMAPFVKPA-NSHDSACASA-N 1 1 321.333 1.490 20 5 DDBDMO Cc1cc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000090146575 353791232 /nfs/dbraw/zinc/79/12/32/353791232.db2.gz FUZISWZFDOCUMR-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000090146575 353791234 /nfs/dbraw/zinc/79/12/34/353791234.db2.gz FUZISWZFDOCUMR-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601292968 358481303 /nfs/dbraw/zinc/48/13/03/358481303.db2.gz ZSABKFTUYRYQAA-UHFFFAOYSA-N 1 1 319.408 1.339 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369706 354224385 /nfs/dbraw/zinc/22/43/85/354224385.db2.gz LVHPFGXRKVIJEU-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369706 354224388 /nfs/dbraw/zinc/22/43/88/354224388.db2.gz LVHPFGXRKVIJEU-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278830125 354416037 /nfs/dbraw/zinc/41/60/37/354416037.db2.gz IFWVELFHWDNLFG-MRXNPFEDSA-N 1 1 319.361 1.576 20 5 DDBDMO C[NH+](C)C1(CS(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601310201 358490172 /nfs/dbraw/zinc/49/01/72/358490172.db2.gz NJVQXCANQTWBCI-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000588838637 354940998 /nfs/dbraw/zinc/94/09/98/354940998.db2.gz XHSOQWCGNKXCOZ-NEPJUHHUSA-N 1 1 309.370 1.029 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000590377837 355078364 /nfs/dbraw/zinc/07/83/64/355078364.db2.gz YVXHXVRGULUMKS-TXEJJXNPSA-N 1 1 321.377 1.906 20 5 DDBDMO CCc1nn(C)c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000590141912 355053239 /nfs/dbraw/zinc/05/32/39/355053239.db2.gz JDIWNYZSVIIZLW-OAHLLOKOSA-N 1 1 307.398 1.813 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590558066 355114155 /nfs/dbraw/zinc/11/41/55/355114155.db2.gz MZCGNVLWLICBSA-UHFFFAOYSA-N 1 1 323.324 1.138 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590446354 355099800 /nfs/dbraw/zinc/09/98/00/355099800.db2.gz UTPAZNMRFOSNOL-RISCZKNCSA-N 1 1 321.402 1.849 20 5 DDBDMO C[C@@H]1CC2(C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592183078 355527504 /nfs/dbraw/zinc/52/75/04/355527504.db2.gz QZAUSFSTTUEVCZ-TZMCWYRMSA-N 1 1 324.381 1.043 20 5 DDBDMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)ccc1[N+](=O)[O-] ZINC000593067654 355785447 /nfs/dbraw/zinc/78/54/47/355785447.db2.gz YGGCIHJJHWHZGH-CHWSQXEVSA-N 1 1 310.350 1.575 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2COC)ccc1[N+](=O)[O-] ZINC000593067654 355785450 /nfs/dbraw/zinc/78/54/50/355785450.db2.gz YGGCIHJJHWHZGH-CHWSQXEVSA-N 1 1 310.350 1.575 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593392999 355871390 /nfs/dbraw/zinc/87/13/90/355871390.db2.gz XNIDTGJGLDMQFM-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2ncccc12 ZINC000593507855 355908326 /nfs/dbraw/zinc/90/83/26/355908326.db2.gz NMQWAGLCNFKZPB-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000594056509 356101572 /nfs/dbraw/zinc/10/15/72/356101572.db2.gz WJQQRSWUGZKUAB-SNVBAGLBSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000594056509 356101576 /nfs/dbraw/zinc/10/15/76/356101576.db2.gz WJQQRSWUGZKUAB-SNVBAGLBSA-N 1 1 318.333 1.990 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198110 356137120 /nfs/dbraw/zinc/13/71/20/356137120.db2.gz CXFPOGWXZNSHNF-KGLIPLIRSA-N 1 1 321.381 1.315 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731223 356299981 /nfs/dbraw/zinc/29/99/81/356299981.db2.gz GUAJIIITSFZYDI-LBPRGKRZSA-N 1 1 319.365 1.554 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000595032294 356374395 /nfs/dbraw/zinc/37/43/95/356374395.db2.gz MCVGCLPUDOIYEC-XHDPSFHLSA-N 1 1 309.366 1.321 20 5 DDBDMO CCOCC[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595306716 356442917 /nfs/dbraw/zinc/44/29/17/356442917.db2.gz WHJUOZHZDYTRSP-UHFFFAOYSA-N 1 1 311.357 1.888 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421669 356485839 /nfs/dbraw/zinc/48/58/39/356485839.db2.gz AHJRNGNZACRKRO-BETUJISGSA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421669 356485840 /nfs/dbraw/zinc/48/58/40/356485840.db2.gz AHJRNGNZACRKRO-BETUJISGSA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421669 356485843 /nfs/dbraw/zinc/48/58/43/356485843.db2.gz AHJRNGNZACRKRO-BETUJISGSA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@@H]1C[N@H+](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421669 356485847 /nfs/dbraw/zinc/48/58/47/356485847.db2.gz AHJRNGNZACRKRO-BETUJISGSA-N 1 1 320.393 1.457 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595608710 356574976 /nfs/dbraw/zinc/57/49/76/356574976.db2.gz UJQLQTQYOJDKOQ-CQSZACIVSA-N 1 1 301.350 1.751 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595762099 356641879 /nfs/dbraw/zinc/64/18/79/356641879.db2.gz ZYDPHSWCRAVKSJ-BLLLJJGKSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595762099 356641880 /nfs/dbraw/zinc/64/18/80/356641880.db2.gz ZYDPHSWCRAVKSJ-BLLLJJGKSA-N 1 1 319.361 1.810 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595824915 356664508 /nfs/dbraw/zinc/66/45/08/356664508.db2.gz AELLCGSNQNJQGK-AWEZNQCLSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595824915 356664511 /nfs/dbraw/zinc/66/45/11/356664511.db2.gz AELLCGSNQNJQGK-AWEZNQCLSA-N 1 1 306.366 1.783 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595828451 356666825 /nfs/dbraw/zinc/66/68/25/356666825.db2.gz FASTVKPTQAMWQI-CHWSQXEVSA-N 1 1 305.334 1.162 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872680 356687368 /nfs/dbraw/zinc/68/73/68/356687368.db2.gz KQFWZSHIPVPKLP-LRDDRELGSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872680 356687372 /nfs/dbraw/zinc/68/73/72/356687372.db2.gz KQFWZSHIPVPKLP-LRDDRELGSA-N 1 1 321.377 1.508 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000595860917 356681227 /nfs/dbraw/zinc/68/12/27/356681227.db2.gz NBEQAVFLSDIWMR-BDJLRTHQSA-N 1 1 322.361 1.832 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872663 356686855 /nfs/dbraw/zinc/68/68/55/356686855.db2.gz KLOYHUHEBMQXKW-LRDDRELGSA-N 1 1 324.377 1.933 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537466 356910348 /nfs/dbraw/zinc/91/03/48/356910348.db2.gz GRLYCYZYOPBORJ-CYBMUJFWSA-N 1 1 309.341 1.769 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598646910 357668787 /nfs/dbraw/zinc/66/87/87/357668787.db2.gz AVPAXNZJYHFJBK-GXFFZTMASA-N 1 1 307.350 1.144 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599093322 357813369 /nfs/dbraw/zinc/81/33/69/357813369.db2.gz ORZYPVSBWGZMAV-YPMHNXCESA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@H+]1CC[C@H](O)C1 ZINC000599093322 357813372 /nfs/dbraw/zinc/81/33/72/357813372.db2.gz ORZYPVSBWGZMAV-YPMHNXCESA-N 1 1 309.366 1.321 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(C)COC1 ZINC000599571382 357979762 /nfs/dbraw/zinc/97/97/62/357979762.db2.gz FKOPQXVNNJPGOC-UHFFFAOYSA-N 1 1 319.361 1.452 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(C)COC1 ZINC000599571382 357979765 /nfs/dbraw/zinc/97/97/65/357979765.db2.gz FKOPQXVNNJPGOC-UHFFFAOYSA-N 1 1 319.361 1.452 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600315468 358194583 /nfs/dbraw/zinc/19/45/83/358194583.db2.gz TVRDUTYDWMIBLM-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO CC[N@H+](CCN)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000600717863 358293495 /nfs/dbraw/zinc/29/34/95/358293495.db2.gz SSEYIIIQCOXSCB-UHFFFAOYSA-N 1 1 310.354 1.213 20 5 DDBDMO CC[N@@H+](CCN)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000600717863 358293501 /nfs/dbraw/zinc/29/35/01/358293501.db2.gz SSEYIIIQCOXSCB-UHFFFAOYSA-N 1 1 310.354 1.213 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000600693791 358285086 /nfs/dbraw/zinc/28/50/86/358285086.db2.gz RQLGJUXIEXLIDA-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CN1CCOC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601203504 358446227 /nfs/dbraw/zinc/44/62/27/358446227.db2.gz RRNBGNZLDLWQAH-GFCCVEGCSA-N 1 1 302.334 1.307 20 5 DDBDMO O=C1NC[C@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CCN12 ZINC000601125524 358412504 /nfs/dbraw/zinc/41/25/04/358412504.db2.gz HQYMPIZVHSIYAC-NSHDSACASA-N 1 1 313.317 1.357 20 5 DDBDMO Cn1cc(C[NH2+][C@H](CCCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602550950 359040532 /nfs/dbraw/zinc/04/05/32/359040532.db2.gz GBHSAABTWIPAPY-CQSZACIVSA-N 1 1 304.350 1.932 20 5 DDBDMO Cn1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602469222 358999589 /nfs/dbraw/zinc/99/95/89/358999589.db2.gz CCAIRXUVDGXJEG-AWEZNQCLSA-N 1 1 304.350 1.884 20 5 DDBDMO Cn1cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602469222 358999591 /nfs/dbraw/zinc/99/95/91/358999591.db2.gz CCAIRXUVDGXJEG-AWEZNQCLSA-N 1 1 304.350 1.884 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602664762 359111196 /nfs/dbraw/zinc/11/11/96/359111196.db2.gz VEFRMBUKOUCIEN-LLVKDONJSA-N 1 1 322.287 1.608 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602664762 359111197 /nfs/dbraw/zinc/11/11/97/359111197.db2.gz VEFRMBUKOUCIEN-LLVKDONJSA-N 1 1 322.287 1.608 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000602780653 359186308 /nfs/dbraw/zinc/18/63/08/359186308.db2.gz BHBWLTQHYLKEFO-ZDUSSCGKSA-N 1 1 321.381 1.187 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000602841042 359229866 /nfs/dbraw/zinc/22/98/66/359229866.db2.gz QLKRTDMUCPJKRR-UHFFFAOYSA-N 1 1 304.354 1.282 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000602851496 359238356 /nfs/dbraw/zinc/23/83/56/359238356.db2.gz KRRFVMFIYYBNJR-AWEZNQCLSA-N 1 1 301.350 1.984 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000602796887 359198811 /nfs/dbraw/zinc/19/88/11/359198811.db2.gz ALCHBFJFLALGSF-UONOGXRCSA-N 1 1 308.382 1.848 20 5 DDBDMO C[C@]12C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602934739 359304280 /nfs/dbraw/zinc/30/42/80/359304280.db2.gz JHJRYDDKHIYJOY-GASCZTMLSA-N 1 1 321.308 1.219 20 5 DDBDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982218 200186657 /nfs/dbraw/zinc/18/66/57/200186657.db2.gz VYNUQHZYQBGADJ-ZBEGNZNMSA-N 1 1 321.377 1.677 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCCO)C1CC1 ZINC000610132934 360384920 /nfs/dbraw/zinc/38/49/20/360384920.db2.gz HKCYCIGMCVFJSJ-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCCO)C1CC1 ZINC000610132934 360384923 /nfs/dbraw/zinc/38/49/23/360384923.db2.gz HKCYCIGMCVFJSJ-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[NH+]1CCN(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610637328 360487614 /nfs/dbraw/zinc/48/76/14/360487614.db2.gz YDWOZAIVWTVWPD-UHFFFAOYSA-N 1 1 320.393 1.194 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000611091852 360620932 /nfs/dbraw/zinc/62/09/32/360620932.db2.gz AFNPTAZZDAAUEG-LBPRGKRZSA-N 1 1 321.377 1.987 20 5 DDBDMO CO[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611258806 360681592 /nfs/dbraw/zinc/68/15/92/360681592.db2.gz OOSOTWZSHYFJNR-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO CO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611258806 360681595 /nfs/dbraw/zinc/68/15/95/360681595.db2.gz OOSOTWZSHYFJNR-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C ZINC000611271193 360685936 /nfs/dbraw/zinc/68/59/36/360685936.db2.gz UQVLJTFLXLWSBS-GFCCVEGCSA-N 1 1 321.377 1.892 20 5 DDBDMO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000612591567 361075786 /nfs/dbraw/zinc/07/57/86/361075786.db2.gz AHNJEDJCIUWXME-UHFFFAOYSA-N 1 1 324.362 1.190 20 5 DDBDMO COc1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000193651837 201096318 /nfs/dbraw/zinc/09/63/18/201096318.db2.gz XMFHCHKRELALFN-SDBXPKJASA-N 1 1 311.313 1.357 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349876667 284090349 /nfs/dbraw/zinc/09/03/49/284090349.db2.gz RERGZJGAGNXRDF-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO Nc1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264667574 204064503 /nfs/dbraw/zinc/06/45/03/204064503.db2.gz VMABBIJFNMVYTN-SECBINFHSA-N 1 1 322.340 1.530 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000264777048 204149042 /nfs/dbraw/zinc/14/90/42/204149042.db2.gz HQHXVRCALMUQBH-UHFFFAOYSA-N 1 1 313.354 1.513 20 5 DDBDMO COCCCNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338383397 249937816 /nfs/dbraw/zinc/93/78/16/249937816.db2.gz RGMVDNZMULMPLJ-ZDUSSCGKSA-N 1 1 323.393 1.610 20 5 DDBDMO O=C(C[NH2+][C@H](CO)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000352034073 284726894 /nfs/dbraw/zinc/72/68/94/284726894.db2.gz XZRCCJBHIWOHQQ-GFCCVEGCSA-N 1 1 321.358 1.918 20 5 DDBDMO COc1cc(C[N@@H+](CCOCCO)C(C)C)ccc1[N+](=O)[O-] ZINC000338590856 250044983 /nfs/dbraw/zinc/04/49/83/250044983.db2.gz FOQRXVIFCADKKO-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO CC(C)(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000109329985 194257766 /nfs/dbraw/zinc/25/77/66/194257766.db2.gz NRTVXNFPFOWRNS-ZDUSSCGKSA-N 1 1 323.349 1.451 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110695933 194350245 /nfs/dbraw/zinc/35/02/45/194350245.db2.gz UBRFXKAASZQNPM-MRVPVSSYSA-N 1 1 312.757 1.607 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110695933 194350247 /nfs/dbraw/zinc/35/02/47/194350247.db2.gz UBRFXKAASZQNPM-MRVPVSSYSA-N 1 1 312.757 1.607 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921167 251277536 /nfs/dbraw/zinc/27/75/36/251277536.db2.gz XLEBANITEIXGNR-JQWIXIFHSA-N 1 1 321.333 1.348 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352467717 285072066 /nfs/dbraw/zinc/07/20/66/285072066.db2.gz NAEDKTIKRMRDQN-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270158589 208218307 /nfs/dbraw/zinc/21/83/07/208218307.db2.gz ICQMSCSCKCBVID-LLVKDONJSA-N 1 1 320.271 1.347 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352546495 285131345 /nfs/dbraw/zinc/13/13/45/285131345.db2.gz WCQCUGSKJXQUIW-OAHLLOKOSA-N 1 1 308.334 1.988 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000270613916 285221276 /nfs/dbraw/zinc/22/12/76/285221276.db2.gz ZXSKSFPVXZMHFH-UHFFFAOYSA-N 1 1 321.377 1.649 20 5 DDBDMO CCN(C)C(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707786 285244028 /nfs/dbraw/zinc/24/40/28/285244028.db2.gz SUIWKOXZFGRMRA-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO CCN(C)C(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707786 285244034 /nfs/dbraw/zinc/24/40/34/285244034.db2.gz SUIWKOXZFGRMRA-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271646964 209092312 /nfs/dbraw/zinc/09/23/12/209092312.db2.gz TYLHWYRXVLBWPM-NEPJUHHUSA-N 1 1 309.366 1.787 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[N@@H+](C)C1CC1 ZINC000352741082 285268405 /nfs/dbraw/zinc/26/84/05/285268405.db2.gz VRLZVCBUIMTQJZ-UHFFFAOYSA-N 1 1 306.366 1.830 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352820993 285320774 /nfs/dbraw/zinc/32/07/74/285320774.db2.gz RPDFTKVLHXIVLU-NXEZZACHSA-N 1 1 309.370 1.477 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000122022324 195392250 /nfs/dbraw/zinc/39/22/50/195392250.db2.gz NSSGADMKGDNZRH-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO COc1cccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000444366718 533415337 /nfs/dbraw/zinc/41/53/37/533415337.db2.gz YBHCDAWBFGPAFJ-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO C[C@@H](O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520548 285781742 /nfs/dbraw/zinc/78/17/42/285781742.db2.gz PMLJMNZEVFRHLV-RISCZKNCSA-N 1 1 304.350 1.778 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000068127849 406618071 /nfs/dbraw/zinc/61/80/71/406618071.db2.gz PXQVEQBGPKIUSP-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)C2 ZINC000073993006 406900052 /nfs/dbraw/zinc/90/00/52/406900052.db2.gz USSRZZIUZHQKMZ-GXTWGEPZSA-N 1 1 319.361 1.669 20 5 DDBDMO CC(C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078681728 407041446 /nfs/dbraw/zinc/04/14/46/407041446.db2.gz IHEXAJSSWIGTTP-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078681728 407041448 /nfs/dbraw/zinc/04/14/48/407041448.db2.gz IHEXAJSSWIGTTP-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1nn(C)c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000051649966 407142999 /nfs/dbraw/zinc/14/29/99/407142999.db2.gz SVILUDKIEIQYDL-PHIMTYICSA-N 1 1 311.386 1.548 20 5 DDBDMO CCNC(=O)C[N@@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055901130 407207845 /nfs/dbraw/zinc/20/78/45/407207845.db2.gz NAZPSFBTOTYNKP-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123282182 407324361 /nfs/dbraw/zinc/32/43/61/407324361.db2.gz MQGXZMJDOWPCJS-NXEZZACHSA-N 1 1 317.342 1.282 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000126103154 407405637 /nfs/dbraw/zinc/40/56/37/407405637.db2.gz GQJZUEIPCGIYDZ-CFMSYZGJSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000126103154 407405639 /nfs/dbraw/zinc/40/56/39/407405639.db2.gz GQJZUEIPCGIYDZ-CFMSYZGJSA-N 1 1 300.380 1.802 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000111321319 407407370 /nfs/dbraw/zinc/40/73/70/407407370.db2.gz HUAFIPJOXJLXGC-BNGAQMRFSA-N 1 1 322.361 1.322 20 5 DDBDMO NC(=O)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111688649 407415217 /nfs/dbraw/zinc/41/52/17/407415217.db2.gz VUBHOAQRWKDUMT-UHFFFAOYSA-N 1 1 322.365 1.450 20 5 DDBDMO C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000151784052 407498240 /nfs/dbraw/zinc/49/82/40/407498240.db2.gz FSJVKZHXWPCJKR-NSHDSACASA-N 1 1 309.391 1.648 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170768231 407500022 /nfs/dbraw/zinc/50/00/22/407500022.db2.gz OWUCDDOSKZKTFU-JSGCOSHPSA-N 1 1 310.350 1.445 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271177869 407555686 /nfs/dbraw/zinc/55/56/86/407555686.db2.gz YEXPEKQAYFVDTO-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266225987 407535347 /nfs/dbraw/zinc/53/53/47/407535347.db2.gz RODHGCRBOYKLJS-QWHCGFSZSA-N 1 1 308.382 1.580 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000260675607 407538065 /nfs/dbraw/zinc/53/80/65/407538065.db2.gz YBGFALMGHNWEKR-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000260675607 407538071 /nfs/dbraw/zinc/53/80/71/407538071.db2.gz YBGFALMGHNWEKR-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO CC(C)N(CC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000151967961 407538394 /nfs/dbraw/zinc/53/83/94/407538394.db2.gz OTQRHXBOUXIMCQ-UHFFFAOYSA-N 1 1 319.365 1.883 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266907310 407671737 /nfs/dbraw/zinc/67/17/37/407671737.db2.gz BOLNDTIPIMBBNL-VHSXEESVSA-N 1 1 308.260 1.179 20 5 DDBDMO C[N@@H+](CCc1cnccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271411915 407673409 /nfs/dbraw/zinc/67/34/09/407673409.db2.gz YZAFYWMULBOCTJ-HNNXBMFYSA-N 1 1 302.334 1.593 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000115433359 407679195 /nfs/dbraw/zinc/67/91/95/407679195.db2.gz SPZKTZXODZYNCI-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO C[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000267168583 407774826 /nfs/dbraw/zinc/77/48/26/407774826.db2.gz ACNJRGXWGMOMCJ-CYBMUJFWSA-N 1 1 313.741 1.643 20 5 DDBDMO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000267168583 407774831 /nfs/dbraw/zinc/77/48/31/407774831.db2.gz ACNJRGXWGMOMCJ-CYBMUJFWSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267191656 407783361 /nfs/dbraw/zinc/78/33/61/407783361.db2.gz DKBROJNPYTWPBZ-UHFFFAOYSA-N 1 1 315.171 1.894 20 5 DDBDMO C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267191656 407783364 /nfs/dbraw/zinc/78/33/64/407783364.db2.gz DKBROJNPYTWPBZ-UHFFFAOYSA-N 1 1 315.171 1.894 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccco1 ZINC000180496376 407894649 /nfs/dbraw/zinc/89/46/49/407894649.db2.gz LPLGXFAECPPLJR-LLVKDONJSA-N 1 1 319.321 1.198 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233465 407961340 /nfs/dbraw/zinc/96/13/40/407961340.db2.gz SPFXCJDDDMBGAL-SMDDNHRTSA-N 1 1 318.377 1.606 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245419090 407969970 /nfs/dbraw/zinc/96/99/70/407969970.db2.gz GWEXASAPDQAIKV-DAXOMENPSA-N 1 1 316.361 1.845 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177649 407930567 /nfs/dbraw/zinc/93/05/67/407930567.db2.gz KWSHIZRJLPPIEF-ABAIWWIYSA-N 1 1 319.361 1.573 20 5 DDBDMO CC[C@]1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000135700810 408049158 /nfs/dbraw/zinc/04/91/58/408049158.db2.gz WGWXTUYPBZTOOJ-XJKSGUPXSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000135700810 408049165 /nfs/dbraw/zinc/04/91/65/408049165.db2.gz WGWXTUYPBZTOOJ-XJKSGUPXSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136089224 408075423 /nfs/dbraw/zinc/07/54/23/408075423.db2.gz WMRPGBCLQAPHNP-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136089224 408075429 /nfs/dbraw/zinc/07/54/29/408075429.db2.gz WMRPGBCLQAPHNP-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136089224 408075436 /nfs/dbraw/zinc/07/54/36/408075436.db2.gz WMRPGBCLQAPHNP-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000189786767 408107930 /nfs/dbraw/zinc/10/79/30/408107930.db2.gz RIQXNXKCGRRDPE-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273587491 408257073 /nfs/dbraw/zinc/25/70/73/408257073.db2.gz GTGAEZVOYRTFHY-GFCCVEGCSA-N 1 1 308.386 1.070 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000190348810 408225391 /nfs/dbraw/zinc/22/53/91/408225391.db2.gz KMNGYYFUMPTGDA-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246518874 408279738 /nfs/dbraw/zinc/27/97/38/408279738.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000246518874 408279777 /nfs/dbraw/zinc/27/97/77/408279777.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000246518874 408279782 /nfs/dbraw/zinc/27/97/82/408279782.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c2ncccc12 ZINC000269496672 408331643 /nfs/dbraw/zinc/33/16/43/408331643.db2.gz PCKFJKCJIOOHMP-LBPRGKRZSA-N 1 1 313.361 1.555 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000176086449 408283519 /nfs/dbraw/zinc/28/35/19/408283519.db2.gz VQQQHQIITQYYLO-JTQLQIEISA-N 1 1 308.338 1.109 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269399817 408296114 /nfs/dbraw/zinc/29/61/14/408296114.db2.gz URUFPLWWCPLIHL-SNVBAGLBSA-N 1 1 300.746 1.776 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269406731 408296545 /nfs/dbraw/zinc/29/65/45/408296545.db2.gz UPQBLPBJSMJJBC-SNVBAGLBSA-N 1 1 321.381 1.655 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)n1 ZINC000191627767 408458471 /nfs/dbraw/zinc/45/84/71/408458471.db2.gz HQZPCCQHNFPMGY-LLVKDONJSA-N 1 1 309.370 1.223 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)n1 ZINC000191627767 408458477 /nfs/dbraw/zinc/45/84/77/408458477.db2.gz HQZPCCQHNFPMGY-LLVKDONJSA-N 1 1 309.370 1.223 20 5 DDBDMO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191258727 408394107 /nfs/dbraw/zinc/39/41/07/408394107.db2.gz COLOPABOEDCHGX-ODOQXGPZSA-N 1 1 321.377 1.791 20 5 DDBDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191258727 408394110 /nfs/dbraw/zinc/39/41/10/408394110.db2.gz COLOPABOEDCHGX-ODOQXGPZSA-N 1 1 321.377 1.791 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000159445907 408407597 /nfs/dbraw/zinc/40/75/97/408407597.db2.gz JEZKNLTWQLCCKI-UWVGGRQHSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000159445907 408407600 /nfs/dbraw/zinc/40/76/00/408407600.db2.gz JEZKNLTWQLCCKI-UWVGGRQHSA-N 1 1 311.338 1.243 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000274472955 408420247 /nfs/dbraw/zinc/42/02/47/408420247.db2.gz LMBIUZJERMMEHH-CYBMUJFWSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247534428 408490090 /nfs/dbraw/zinc/49/00/90/408490090.db2.gz XNRBTZVELILIHX-JQWIXIFHSA-N 1 1 306.366 1.853 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000264499658 408514562 /nfs/dbraw/zinc/51/45/62/408514562.db2.gz KDWHRFQFTOVDNU-SNVBAGLBSA-N 1 1 311.313 1.184 20 5 DDBDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000274861413 408559065 /nfs/dbraw/zinc/55/90/65/408559065.db2.gz ZDQBSRZCUHXKPS-ZDUSSCGKSA-N 1 1 321.381 1.271 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000248438758 408566667 /nfs/dbraw/zinc/56/66/67/408566667.db2.gz TWUVZLYIPOEJHV-GHMZBOCLSA-N 1 1 321.381 1.422 20 5 DDBDMO COc1cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184255777 408578924 /nfs/dbraw/zinc/57/89/24/408578924.db2.gz DZDMIVYSYIFENA-LBPRGKRZSA-N 1 1 313.329 1.732 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275544145 408595376 /nfs/dbraw/zinc/59/53/76/408595376.db2.gz ZLRIYRBXYMLJQS-UKRRQHHQSA-N 1 1 324.377 1.427 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275544134 408596634 /nfs/dbraw/zinc/59/66/34/408596634.db2.gz ZLRIYRBXYMLJQS-DZGCQCFKSA-N 1 1 324.377 1.427 20 5 DDBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000181389842 162789982 /nfs/dbraw/zinc/78/99/82/162789982.db2.gz RKKWXNARCDVBRN-AWEZNQCLSA-N 1 1 315.333 1.115 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249109920 408690951 /nfs/dbraw/zinc/69/09/51/408690951.db2.gz AZZNSTXUYBMNIT-JQWIXIFHSA-N 1 1 322.365 1.498 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249109918 408691368 /nfs/dbraw/zinc/69/13/68/408691368.db2.gz AZZNSTXUYBMNIT-CMPLNLGQSA-N 1 1 322.365 1.498 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000163595912 408782559 /nfs/dbraw/zinc/78/25/59/408782559.db2.gz RMRCDAFBKKHYEU-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO NS(=O)(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178001530 408754654 /nfs/dbraw/zinc/75/46/54/408754654.db2.gz GEVVBCFZQJPLAM-UHFFFAOYSA-N 1 1 313.379 1.238 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(O)C1 ZINC000178003520 408754898 /nfs/dbraw/zinc/75/48/98/408754898.db2.gz KRZAXVZVOADKEB-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251477744 408781355 /nfs/dbraw/zinc/78/13/55/408781355.db2.gz CTDNJNKHJHUNAT-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251477744 408781358 /nfs/dbraw/zinc/78/13/58/408781358.db2.gz CTDNJNKHJHUNAT-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000277403683 408934188 /nfs/dbraw/zinc/93/41/88/408934188.db2.gz HGBSJXOSWCHGSQ-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000277920422 409035558 /nfs/dbraw/zinc/03/55/58/409035558.db2.gz XYDKHAHFGNZYAC-HNNXBMFYSA-N 1 1 324.381 1.989 20 5 DDBDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000277920422 409035560 /nfs/dbraw/zinc/03/55/60/409035560.db2.gz XYDKHAHFGNZYAC-HNNXBMFYSA-N 1 1 324.381 1.989 20 5 DDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037452 409055515 /nfs/dbraw/zinc/05/55/15/409055515.db2.gz BZOGZTXUHWQUBM-GOEBONIOSA-N 1 1 324.377 1.441 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293578273 409141879 /nfs/dbraw/zinc/14/18/79/409141879.db2.gz AYPICKHIBXWTIC-SNVBAGLBSA-N 1 1 321.381 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293578273 409141883 /nfs/dbraw/zinc/14/18/83/409141883.db2.gz AYPICKHIBXWTIC-SNVBAGLBSA-N 1 1 321.381 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293578273 409141886 /nfs/dbraw/zinc/14/18/86/409141886.db2.gz AYPICKHIBXWTIC-SNVBAGLBSA-N 1 1 321.381 1.573 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000293716415 409167537 /nfs/dbraw/zinc/16/75/37/409167537.db2.gz PBBIMZAVFRBVOD-GFCCVEGCSA-N 1 1 321.381 1.124 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293935695 409209985 /nfs/dbraw/zinc/20/99/85/409209985.db2.gz IIFMPXLCLJJLGA-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293935695 409209988 /nfs/dbraw/zinc/20/99/88/409209988.db2.gz IIFMPXLCLJJLGA-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000279364387 409199404 /nfs/dbraw/zinc/19/94/04/409199404.db2.gz HKOHEUFVBHZWMF-WMHVBEDNSA-N 1 1 301.346 1.820 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321307594 164043784 /nfs/dbraw/zinc/04/37/84/164043784.db2.gz CRQAVIMZPOZAPU-DGCLKSJQSA-N 1 1 318.377 1.876 20 5 DDBDMO CNc1c(C(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000321625669 164044462 /nfs/dbraw/zinc/04/44/62/164044462.db2.gz JEPWYBCSVQFOMG-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C[N@@H+]1C ZINC000408073600 164218735 /nfs/dbraw/zinc/21/87/35/164218735.db2.gz QSZLWEPKKSPGMY-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C[N@H+]1C ZINC000408073600 164218739 /nfs/dbraw/zinc/21/87/39/164218739.db2.gz QSZLWEPKKSPGMY-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000408075848 164220032 /nfs/dbraw/zinc/22/00/32/164220032.db2.gz ZYLWWTSLUVZGDQ-ZJUUUORDSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1C ZINC000408075848 164220033 /nfs/dbraw/zinc/22/00/33/164220033.db2.gz ZYLWWTSLUVZGDQ-ZJUUUORDSA-N 1 1 317.349 1.636 20 5 DDBDMO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O ZINC000304000677 409562852 /nfs/dbraw/zinc/56/28/52/409562852.db2.gz RCGKAGFNSRCILD-LBPRGKRZSA-N 1 1 321.377 1.575 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000356793551 409612295 /nfs/dbraw/zinc/61/22/95/409612295.db2.gz MFDVNPIRHISQSJ-WDEREUQCSA-N 1 1 306.366 1.483 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558959 409722732 /nfs/dbraw/zinc/72/27/32/409722732.db2.gz DSUYZFLCFPZAEQ-ZWNOBZJWSA-N 1 1 306.366 1.834 20 5 DDBDMO CCOC(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342717944 409843539 /nfs/dbraw/zinc/84/35/39/409843539.db2.gz DWZMWYDIWBSMDC-LBPRGKRZSA-N 1 1 322.365 1.819 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000346185045 409848626 /nfs/dbraw/zinc/84/86/26/409848626.db2.gz GNBHNVMYNZQDTE-STQMWFEESA-N 1 1 308.382 1.171 20 5 DDBDMO COc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000297087442 409799187 /nfs/dbraw/zinc/79/91/87/409799187.db2.gz QTVSHUDDJVGIKS-YHWZYXNKSA-N 1 1 319.361 1.958 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000338422427 409976702 /nfs/dbraw/zinc/97/67/02/409976702.db2.gz AANRHAQWOIAZEP-ZDUSSCGKSA-N 1 1 323.397 1.562 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000332394032 410123259 /nfs/dbraw/zinc/12/32/59/410123259.db2.gz WGXIXJWZDAEUKU-JKSUJKDBSA-N 1 1 305.378 1.542 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000298626046 410318448 /nfs/dbraw/zinc/31/84/48/410318448.db2.gz DGODCZSNIXGGQS-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CO)C1 ZINC000298626046 410318454 /nfs/dbraw/zinc/31/84/54/410318454.db2.gz DGODCZSNIXGGQS-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351945777 410356503 /nfs/dbraw/zinc/35/65/03/410356503.db2.gz ULEJACICEDUGJC-MFKMUULPSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000351959189 410372901 /nfs/dbraw/zinc/37/29/01/410372901.db2.gz NVEPXUQRWPCOJR-BXKDBHETSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000351959189 410372908 /nfs/dbraw/zinc/37/29/08/410372908.db2.gz NVEPXUQRWPCOJR-BXKDBHETSA-N 1 1 304.306 1.457 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]CC1(F)F ZINC000343446739 410458306 /nfs/dbraw/zinc/45/83/06/410458306.db2.gz BTJINMSUCSXYKB-LLVKDONJSA-N 1 1 313.304 1.498 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343464889 410475079 /nfs/dbraw/zinc/47/50/79/410475079.db2.gz YVUPJVFNUCZCRI-RYUDHWBXSA-N 1 1 307.350 1.573 20 5 DDBDMO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343414691 410432939 /nfs/dbraw/zinc/43/29/39/410432939.db2.gz BJRXUVVWMDTUDA-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343414691 410432945 /nfs/dbraw/zinc/43/29/45/410432945.db2.gz BJRXUVVWMDTUDA-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O ZINC000352195718 410537608 /nfs/dbraw/zinc/53/76/08/410537608.db2.gz SVSSYRBWSVTPRG-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O ZINC000352195718 410537612 /nfs/dbraw/zinc/53/76/12/410537612.db2.gz SVSSYRBWSVTPRG-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478267 410815582 /nfs/dbraw/zinc/81/55/82/410815582.db2.gz UFCUVYKRIREALX-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)CC1(C)C ZINC000330583429 410799221 /nfs/dbraw/zinc/79/92/21/410799221.db2.gz VRJXINLTGDQKKC-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000301965065 410836276 /nfs/dbraw/zinc/83/62/76/410836276.db2.gz NYLVWFLPOBHREF-VXGBXAGGSA-N 1 1 316.365 1.558 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121278 410970745 /nfs/dbraw/zinc/97/07/45/410970745.db2.gz DWVZTYJUKVMUTE-MNOVXSKESA-N 1 1 307.350 1.287 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331208986 411019873 /nfs/dbraw/zinc/01/98/73/411019873.db2.gz WHJBVOMOGOBAQI-STQMWFEESA-N 1 1 321.377 1.833 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331212626 411020908 /nfs/dbraw/zinc/02/09/08/411020908.db2.gz KKOMFMIHXGFSAX-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000271634991 209079110 /nfs/dbraw/zinc/07/91/10/209079110.db2.gz PXBHSJITOYZJDH-CYBMUJFWSA-N 1 1 323.393 1.756 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331829 226120549 /nfs/dbraw/zinc/12/05/49/226120549.db2.gz RXEGQPRARFJCJK-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419350878 226127206 /nfs/dbraw/zinc/12/72/06/226127206.db2.gz ZYWFAGMMRKAWIR-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000360536603 418458556 /nfs/dbraw/zinc/45/85/56/418458556.db2.gz LDIRKRFIELDXBU-GFCCVEGCSA-N 1 1 322.365 1.040 20 5 DDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933507 418474504 /nfs/dbraw/zinc/47/45/04/418474504.db2.gz MPPRPDAPADBXQF-CABCVRRESA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933507 418474508 /nfs/dbraw/zinc/47/45/08/418474508.db2.gz MPPRPDAPADBXQF-CABCVRRESA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933507 418474512 /nfs/dbraw/zinc/47/45/12/418474512.db2.gz MPPRPDAPADBXQF-CABCVRRESA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933610 418474688 /nfs/dbraw/zinc/47/46/88/418474688.db2.gz MPPRPDAPADBXQF-LSDHHAIUSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933610 418474690 /nfs/dbraw/zinc/47/46/90/418474690.db2.gz MPPRPDAPADBXQF-LSDHHAIUSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933610 418474693 /nfs/dbraw/zinc/47/46/93/418474693.db2.gz MPPRPDAPADBXQF-LSDHHAIUSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C1CO[C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2N1 ZINC000366784193 418518046 /nfs/dbraw/zinc/51/80/46/418518046.db2.gz UKSZQTFYRKLPCA-YTRREALPSA-N 1 1 317.345 1.197 20 5 DDBDMO O=C1CO[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2N1 ZINC000366784193 418518049 /nfs/dbraw/zinc/51/80/49/418518049.db2.gz UKSZQTFYRKLPCA-YTRREALPSA-N 1 1 317.345 1.197 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000194361029 418543417 /nfs/dbraw/zinc/54/34/17/418543417.db2.gz BZMPORYJMHIJSV-CHWSQXEVSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049123 418554905 /nfs/dbraw/zinc/55/49/05/418554905.db2.gz CDRHCSVDMYKJBM-KGLIPLIRSA-N 1 1 323.397 1.149 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000191578132 222105287 /nfs/dbraw/zinc/10/52/87/222105287.db2.gz XGVUUMKLQRWSDV-NSHDSACASA-N 1 1 307.354 1.122 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000191578132 222105289 /nfs/dbraw/zinc/10/52/89/222105289.db2.gz XGVUUMKLQRWSDV-NSHDSACASA-N 1 1 307.354 1.122 20 5 DDBDMO CO[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000361385457 418641195 /nfs/dbraw/zinc/64/11/95/418641195.db2.gz QCEJCVUXWNBXSE-LBPRGKRZSA-N 1 1 321.333 1.614 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000367840318 418643934 /nfs/dbraw/zinc/64/39/34/418643934.db2.gz QDSKXAXHFFTWHW-GHMZBOCLSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000367840318 418643938 /nfs/dbraw/zinc/64/39/38/418643938.db2.gz QDSKXAXHFFTWHW-GHMZBOCLSA-N 1 1 323.736 1.343 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000368299409 418716793 /nfs/dbraw/zinc/71/67/93/418716793.db2.gz OHZPRWDFONGXRI-AWEZNQCLSA-N 1 1 302.338 1.170 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000361658079 418697425 /nfs/dbraw/zinc/69/74/25/418697425.db2.gz XEWVWXRPWDWGSL-ZWNOBZJWSA-N 1 1 308.334 1.522 20 5 DDBDMO CCc1n[nH]c(C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000364587567 418789387 /nfs/dbraw/zinc/78/93/87/418789387.db2.gz DFQUUXIVTMEXCV-UHFFFAOYSA-N 1 1 319.369 1.388 20 5 DDBDMO CCc1nnc(C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)[nH]1 ZINC000364587567 418789389 /nfs/dbraw/zinc/78/93/89/418789389.db2.gz DFQUUXIVTMEXCV-UHFFFAOYSA-N 1 1 319.369 1.388 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372470062 418874283 /nfs/dbraw/zinc/87/42/83/418874283.db2.gz CZNCTTYBUZLTBH-QWRGUYRKSA-N 1 1 305.334 1.657 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CC(C)(C)O)CC2)n1 ZINC000372590953 418886353 /nfs/dbraw/zinc/88/63/53/418886353.db2.gz DQFKOSHISCXFEY-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO Nc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000365880432 418919153 /nfs/dbraw/zinc/91/91/53/418919153.db2.gz QSMORTDAXIHOAI-LBPRGKRZSA-N 1 1 302.338 1.606 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412042131 419581071 /nfs/dbraw/zinc/58/10/71/419581071.db2.gz TWVVAQHRBWQYIP-FRRDWIJNSA-N 1 1 310.350 1.037 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412108267 419670317 /nfs/dbraw/zinc/67/03/17/419670317.db2.gz SAXOHZSAIZXSPY-JSGCOSHPSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412108267 419670319 /nfs/dbraw/zinc/67/03/19/419670319.db2.gz SAXOHZSAIZXSPY-JSGCOSHPSA-N 1 1 310.350 1.169 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNCC[C@H]1C ZINC000423355970 420025140 /nfs/dbraw/zinc/02/51/40/420025140.db2.gz GCHPJJCJACRMQK-JMSVASOKSA-N 1 1 320.393 1.900 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)COC(C)C ZINC000430237130 420094792 /nfs/dbraw/zinc/09/47/92/420094792.db2.gz OOGQLSFSZWMLSU-AWEZNQCLSA-N 1 1 312.366 1.821 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000430237130 420094796 /nfs/dbraw/zinc/09/47/96/420094796.db2.gz OOGQLSFSZWMLSU-AWEZNQCLSA-N 1 1 312.366 1.821 20 5 DDBDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000420324820 420211010 /nfs/dbraw/zinc/21/10/10/420211010.db2.gz BCNVERRSGCYPSH-SWLSCSKDSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000420324820 420211014 /nfs/dbraw/zinc/21/10/14/420211014.db2.gz BCNVERRSGCYPSH-SWLSCSKDSA-N 1 1 320.393 1.983 20 5 DDBDMO COc1cccc(C(=O)NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000444336937 230084714 /nfs/dbraw/zinc/08/47/14/230084714.db2.gz BVLPIAXKFXUVAP-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451986026 420618982 /nfs/dbraw/zinc/61/89/82/420618982.db2.gz XDPNTZHYTRKKNM-OAHLLOKOSA-N 1 1 323.418 1.976 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452068542 420620339 /nfs/dbraw/zinc/62/03/39/420620339.db2.gz OSUXFJMZOKOXFF-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000443198227 420748121 /nfs/dbraw/zinc/74/81/21/420748121.db2.gz MZWHPYGZRKIPFT-UHFFFAOYSA-N 1 1 315.395 1.603 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493085673 420753316 /nfs/dbraw/zinc/75/33/16/420753316.db2.gz POVAVVFRPOUYAQ-DUXPYHPUSA-N 1 1 303.240 1.457 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454131237 420804111 /nfs/dbraw/zinc/80/41/11/420804111.db2.gz CREKNEVNRCVGEW-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454131237 420804112 /nfs/dbraw/zinc/80/41/12/420804112.db2.gz CREKNEVNRCVGEW-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721173 421107697 /nfs/dbraw/zinc/10/76/97/421107697.db2.gz RNJVJSBHPMSJNV-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000524719957 421266016 /nfs/dbraw/zinc/26/60/16/421266016.db2.gz RQFZKPPPLZPECW-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775234 421271168 /nfs/dbraw/zinc/27/11/68/421271168.db2.gz AVQPTVZHVZSXRG-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641939 421441294 /nfs/dbraw/zinc/44/12/94/421441294.db2.gz RHHHKVXYMYQRGN-STQMWFEESA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641939 421441295 /nfs/dbraw/zinc/44/12/95/421441295.db2.gz RHHHKVXYMYQRGN-STQMWFEESA-N 1 1 321.377 1.223 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ncccc3O)CC2)cn1 ZINC000514830365 421458365 /nfs/dbraw/zinc/45/83/65/421458365.db2.gz BTICQZGBROWXSA-UHFFFAOYSA-N 1 1 315.333 1.413 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548718360 421465373 /nfs/dbraw/zinc/46/53/73/421465373.db2.gz NWAOQDTYWYMBJY-UHFFFAOYSA-N 1 1 301.306 1.280 20 5 DDBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566467335 421606134 /nfs/dbraw/zinc/60/61/34/421606134.db2.gz VVEUIIFKMWEJEA-NSHDSACASA-N 1 1 321.381 1.586 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000558589560 421815375 /nfs/dbraw/zinc/81/53/75/421815375.db2.gz LCVBNUQQZWMLHE-SNVBAGLBSA-N 1 1 307.354 1.231 20 5 DDBDMO C[C@H](C(=O)NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000581106174 421898440 /nfs/dbraw/zinc/89/84/40/421898440.db2.gz AERICMCXUZLTQW-LBPRGKRZSA-N 1 1 323.418 1.863 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000559637071 421836879 /nfs/dbraw/zinc/83/68/79/421836879.db2.gz HRRYKFUKXAEJBR-INIZCTEOSA-N 1 1 322.409 1.029 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000543580425 421838785 /nfs/dbraw/zinc/83/87/85/421838785.db2.gz BLQOTUPONTYYMR-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO CN(CC(=O)N1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000581157666 421910296 /nfs/dbraw/zinc/91/02/96/421910296.db2.gz DERCBKQHIXQMHW-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](C2CC2)C1 ZINC000581232822 421927518 /nfs/dbraw/zinc/92/75/18/421927518.db2.gz RTOWWDVZVMSBLY-NSHDSACASA-N 1 1 306.366 1.490 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000573338432 421950367 /nfs/dbraw/zinc/95/03/67/421950367.db2.gz NDGLHCTUYGVIJK-NSHDSACASA-N 1 1 312.395 1.742 20 5 DDBDMO Nc1nccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418494 422347475 /nfs/dbraw/zinc/34/74/75/422347475.db2.gz JMOKFPHYETVWSR-VXGBXAGGSA-N 1 1 319.365 1.319 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000577864933 422444191 /nfs/dbraw/zinc/44/41/91/422444191.db2.gz YWVFWZYKBPFAET-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000577864933 422444196 /nfs/dbraw/zinc/44/41/96/422444196.db2.gz YWVFWZYKBPFAET-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000344436035 272026493 /nfs/dbraw/zinc/02/64/93/272026493.db2.gz PENZSQJQANXWGD-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000345044331 272162680 /nfs/dbraw/zinc/16/26/80/272162680.db2.gz OIGMNGLTSBWUDT-ZDUSSCGKSA-N 1 1 308.382 1.500 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000345595113 272287656 /nfs/dbraw/zinc/28/76/56/272287656.db2.gz MWJZELKJMAVLQA-NSHDSACASA-N 1 1 309.370 1.098 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000281079589 274004606 /nfs/dbraw/zinc/00/46/06/274004606.db2.gz BPZAMPZUYZIBOP-MNOVXSKESA-N 1 1 320.349 1.449 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000130916281 276071370 /nfs/dbraw/zinc/07/13/70/276071370.db2.gz OPTVNERQISDTSH-UHFFFAOYSA-N 1 1 321.786 1.478 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451268 276306760 /nfs/dbraw/zinc/30/67/60/276306760.db2.gz GILOLGJBIFUTGS-NSHDSACASA-N 1 1 323.397 1.855 20 5 DDBDMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451268 276306762 /nfs/dbraw/zinc/30/67/62/276306762.db2.gz GILOLGJBIFUTGS-NSHDSACASA-N 1 1 323.397 1.855 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451268 276306763 /nfs/dbraw/zinc/30/67/63/276306763.db2.gz GILOLGJBIFUTGS-NSHDSACASA-N 1 1 323.397 1.855 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1C(C)C ZINC000429391283 277394637 /nfs/dbraw/zinc/39/46/37/277394637.db2.gz CGTZQISRJOMJNO-AAEUAGOBSA-N 1 1 310.354 1.311 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000129138991 281333776 /nfs/dbraw/zinc/33/37/76/281333776.db2.gz WNHBZFAARYJDML-ZDUSSCGKSA-N 1 1 318.377 1.878 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246745540 282011936 /nfs/dbraw/zinc/01/19/36/282011936.db2.gz PTXFMOQIANTXKX-GZBFAFLISA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000408361175 297027643 /nfs/dbraw/zinc/02/76/43/297027643.db2.gz CWTZINGHSUPRHL-FRRDWIJNSA-N 1 1 323.397 1.406 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000408361175 297027645 /nfs/dbraw/zinc/02/76/45/297027645.db2.gz CWTZINGHSUPRHL-FRRDWIJNSA-N 1 1 323.397 1.406 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)CC1CCCCC1 ZINC000362578740 300101261 /nfs/dbraw/zinc/10/12/61/300101261.db2.gz GBGHYCIIQYPOOH-UHFFFAOYSA-N 1 1 323.393 1.631 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094693 300209590 /nfs/dbraw/zinc/20/95/90/300209590.db2.gz HJUNASPVYGGADS-KBPBESRZSA-N 1 1 320.349 1.580 20 5 DDBDMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363451148 300270099 /nfs/dbraw/zinc/27/00/99/300270099.db2.gz WQPIUXHIKXQXOO-LBPRGKRZSA-N 1 1 318.381 1.924 20 5 DDBDMO CC(C)NC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364322583 300376078 /nfs/dbraw/zinc/37/60/78/300376078.db2.gz GRIWGSLDIYEUDT-GFCCVEGCSA-N 1 1 309.370 1.343 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350383 300381874 /nfs/dbraw/zinc/38/18/74/300381874.db2.gz XTEZEFSDJIXDSR-GJZGRUSLSA-N 1 1 321.381 1.267 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[NH+]([C@@H]3CCOC3)CC1)CCN2 ZINC000365543896 300531284 /nfs/dbraw/zinc/53/12/84/300531284.db2.gz GMNOXYGOOAPARD-GFCCVEGCSA-N 1 1 318.377 1.474 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368595222 301061101 /nfs/dbraw/zinc/06/11/01/301061101.db2.gz SIERBSLNASWEIP-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1cccc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368976309 301115551 /nfs/dbraw/zinc/11/55/51/301115551.db2.gz VKUPXPBBCQWQOT-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976931 301116256 /nfs/dbraw/zinc/11/62/56/301116256.db2.gz ZVOQIXYJCRFJCJ-NGFQHRJXSA-N 1 1 319.361 1.214 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000370163939 301286702 /nfs/dbraw/zinc/28/67/02/301286702.db2.gz UURHDVPYWKHEFK-OJLVUWQFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370163939 301286703 /nfs/dbraw/zinc/28/67/03/301286703.db2.gz UURHDVPYWKHEFK-OJLVUWQFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370163939 301286705 /nfs/dbraw/zinc/28/67/05/301286705.db2.gz UURHDVPYWKHEFK-OJLVUWQFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@@H]2C1 ZINC000376729421 302093332 /nfs/dbraw/zinc/09/33/32/302093332.db2.gz PXEDNAJFFKGDME-GXFFZTMASA-N 1 1 307.325 1.900 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]12 ZINC000377715116 302218268 /nfs/dbraw/zinc/21/82/68/302218268.db2.gz CTYOYUXHKQJIHC-ONGXEEELSA-N 1 1 316.317 1.304 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]12 ZINC000377715116 302218271 /nfs/dbraw/zinc/21/82/71/302218271.db2.gz CTYOYUXHKQJIHC-ONGXEEELSA-N 1 1 316.317 1.304 20 5 DDBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000516354495 302789365 /nfs/dbraw/zinc/78/93/65/302789365.db2.gz PNFQNGSAKFNURZ-CYBMUJFWSA-N 1 1 314.345 1.979 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878013 303262841 /nfs/dbraw/zinc/26/28/41/303262841.db2.gz CCDYWVUAYPCOHL-JTQLQIEISA-N 1 1 303.322 1.561 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000536021200 303353984 /nfs/dbraw/zinc/35/39/84/303353984.db2.gz BXNJPRXCKKRQHW-UHFFFAOYSA-N 1 1 321.406 1.671 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000371511976 307151889 /nfs/dbraw/zinc/15/18/89/307151889.db2.gz ULRSRLPAANYTGF-QWHCGFSZSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000372658338 307172698 /nfs/dbraw/zinc/17/26/98/307172698.db2.gz YAFABQJYWLYJIZ-SOUVJXGZSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000372658338 307172699 /nfs/dbraw/zinc/17/26/99/307172699.db2.gz YAFABQJYWLYJIZ-SOUVJXGZSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000372658338 307172700 /nfs/dbraw/zinc/17/27/00/307172700.db2.gz YAFABQJYWLYJIZ-SOUVJXGZSA-N 1 1 303.362 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000375556965 307228001 /nfs/dbraw/zinc/22/80/01/307228001.db2.gz JOYQBGGLQJPEIC-HNNXBMFYSA-N 1 1 305.334 1.978 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377824620 307276365 /nfs/dbraw/zinc/27/63/65/307276365.db2.gz UNSLJPGVCHRREJ-DGXTUMSLSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377824620 307276366 /nfs/dbraw/zinc/27/63/66/307276366.db2.gz UNSLJPGVCHRREJ-DGXTUMSLSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377824620 307276367 /nfs/dbraw/zinc/27/63/67/307276367.db2.gz UNSLJPGVCHRREJ-DGXTUMSLSA-N 1 1 315.373 1.413 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCCCO ZINC000434678091 307304031 /nfs/dbraw/zinc/30/40/31/307304031.db2.gz BYRJHZAWPUXHLX-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000567016852 308068620 /nfs/dbraw/zinc/06/86/20/308068620.db2.gz JAPAFODNMIZBCJ-CYBMUJFWSA-N 1 1 323.397 1.351 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCc1c[nH+]c2n1CCCC2 ZINC000568853531 308131505 /nfs/dbraw/zinc/13/15/05/308131505.db2.gz PIBYXMDATPZLQL-UHFFFAOYSA-N 1 1 315.333 1.839 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000374528168 483939167 /nfs/dbraw/zinc/93/91/67/483939167.db2.gz ATYTZKUHILKRFL-GFCCVEGCSA-N 1 1 317.349 1.971 20 5 DDBDMO COc1cc(CN2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000452136164 533810230 /nfs/dbraw/zinc/81/02/30/533810230.db2.gz XMFXCRPNSWORDN-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010075 533914560 /nfs/dbraw/zinc/91/45/60/533914560.db2.gz YFVAZCJARKURGQ-NEPJUHHUSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010075 533914570 /nfs/dbraw/zinc/91/45/70/533914570.db2.gz YFVAZCJARKURGQ-NEPJUHHUSA-N 1 1 311.357 1.934 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC12CCCCC2 ZINC000451812924 534320465 /nfs/dbraw/zinc/32/04/65/534320465.db2.gz HTNYAKBSHGTVLI-UHFFFAOYSA-N 1 1 321.377 1.792 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC12CCCCC2 ZINC000451812924 534320472 /nfs/dbraw/zinc/32/04/72/534320472.db2.gz HTNYAKBSHGTVLI-UHFFFAOYSA-N 1 1 321.377 1.792 20 5 DDBDMO CN(C(=O)C[N@@H+](CCCCO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000152550971 523814016 /nfs/dbraw/zinc/81/40/16/523814016.db2.gz AAVQMOLUOZWNQO-UHFFFAOYSA-N 1 1 321.377 1.795 20 5 DDBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451546093 527763763 /nfs/dbraw/zinc/76/37/63/527763763.db2.gz RUWREUVSSJMUOK-IAQYHMDHSA-N 1 1 321.377 1.941 20 5 DDBDMO CCOCCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444715326 528802413 /nfs/dbraw/zinc/80/24/13/528802413.db2.gz MLGBGCSOLMDRNI-UHFFFAOYSA-N 1 1 322.365 1.956 20 5 DDBDMO CCOCCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444715326 528802420 /nfs/dbraw/zinc/80/24/20/528802420.db2.gz MLGBGCSOLMDRNI-UHFFFAOYSA-N 1 1 322.365 1.956 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000050443030 696231832 /nfs/dbraw/zinc/23/18/32/696231832.db2.gz YBPCQTAXAQTDND-SNVBAGLBSA-N 1 1 304.755 1.525 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748349065 700112069 /nfs/dbraw/zinc/11/20/69/700112069.db2.gz APIAFNCZHNBNRB-SECBINFHSA-N 1 1 322.321 1.588 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748349065 700112070 /nfs/dbraw/zinc/11/20/70/700112070.db2.gz APIAFNCZHNBNRB-SECBINFHSA-N 1 1 322.321 1.588 20 5 DDBDMO CC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193509019 697670041 /nfs/dbraw/zinc/67/00/41/697670041.db2.gz LBJMMCGIIMTSKI-UHFFFAOYSA-N 1 1 304.350 1.621 20 5 DDBDMO Cc1nn(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(C)c1[N+](=O)[O-] ZINC000773325661 697745094 /nfs/dbraw/zinc/74/50/94/697745094.db2.gz GIWAJTYZRWFFAR-UHFFFAOYSA-N 1 1 321.381 1.310 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000775100188 697962803 /nfs/dbraw/zinc/96/28/03/697962803.db2.gz BMGVMDGDFXPSAY-JOYOIKCWSA-N 1 1 323.305 1.886 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000775100188 697962807 /nfs/dbraw/zinc/96/28/07/697962807.db2.gz BMGVMDGDFXPSAY-JOYOIKCWSA-N 1 1 323.305 1.886 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053817 700201427 /nfs/dbraw/zinc/20/14/27/700201427.db2.gz UPLYFANXJRGWGU-JSGCOSHPSA-N 1 1 307.350 1.358 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800853448 700249060 /nfs/dbraw/zinc/24/90/60/700249060.db2.gz QWTKJUCOEULHOY-UHFFFAOYSA-N 1 1 302.338 1.237 20 5 DDBDMO COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000786193002 699133649 /nfs/dbraw/zinc/13/36/49/699133649.db2.gz VYNCWUNIDXTWLO-CABCVRRESA-N 1 1 310.350 1.366 20 5 DDBDMO [NH2+]=C(Cn1cccn1)NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789589662 699397492 /nfs/dbraw/zinc/39/74/92/699397492.db2.gz FWYOYKCEOQRCKO-UHFFFAOYSA-N 1 1 320.265 1.398 20 5 DDBDMO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CC1 ZINC000790533073 699465677 /nfs/dbraw/zinc/46/56/77/699465677.db2.gz JLZRTUIPDDUMDO-TVQRCGJNSA-N 1 1 318.337 1.300 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000742058395 699858870 /nfs/dbraw/zinc/85/88/70/699858870.db2.gz BDMDYHXZBOONGU-CHWSQXEVSA-N 1 1 319.361 1.496 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743375606 699909894 /nfs/dbraw/zinc/90/98/94/699909894.db2.gz IUQLOXWXVRYZHP-HNNXBMFYSA-N 1 1 315.377 1.955 20 5 DDBDMO CC1(C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1CCO ZINC000801547287 700319544 /nfs/dbraw/zinc/31/95/44/700319544.db2.gz MAUDDZNOEIVNEK-UHFFFAOYSA-N 1 1 311.357 1.622 20 5 DDBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761082509 700841651 /nfs/dbraw/zinc/84/16/51/700841651.db2.gz QDLZHEHGUXUWGT-GFCCVEGCSA-N 1 1 306.366 1.194 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[NH+]1CCOCC1 ZINC000804176658 701169675 /nfs/dbraw/zinc/16/96/75/701169675.db2.gz RRWUNPXWLSLOLM-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000768770137 701201302 /nfs/dbraw/zinc/20/13/02/701201302.db2.gz SEHCUZDMDSHCMF-PELKAZGASA-N 1 1 313.741 1.499 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000768770137 701201299 /nfs/dbraw/zinc/20/12/99/701201299.db2.gz SEHCUZDMDSHCMF-PELKAZGASA-N 1 1 313.741 1.499 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000808049737 701495603 /nfs/dbraw/zinc/49/56/03/701495603.db2.gz BXROIDUVPRVMPT-UHFFFAOYSA-N 1 1 318.293 1.553 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636467 701761510 /nfs/dbraw/zinc/76/15/10/701761510.db2.gz SPONLTJVRYZFJT-JSGCOSHPSA-N 1 1 307.350 1.038 20 5 DDBDMO C[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CCC1(C)C ZINC000866112942 706621993 /nfs/dbraw/zinc/62/19/93/706621993.db2.gz OHXVZNQIEUDRNR-UHFFFAOYSA-N 1 1 304.354 1.558 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@H]1C ZINC000840123112 701981794 /nfs/dbraw/zinc/98/17/94/701981794.db2.gz KRTSZPWPDZINSY-QMTHXVAHSA-N 1 1 319.365 1.962 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@@H]1C ZINC000840123104 701981890 /nfs/dbraw/zinc/98/18/90/701981890.db2.gz KRTSZPWPDZINSY-HZMBPMFUSA-N 1 1 319.365 1.962 20 5 DDBDMO Cc1nn(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000840134623 701989636 /nfs/dbraw/zinc/98/96/36/701989636.db2.gz YUHYEIQRXWLVIN-WBMJQRKESA-N 1 1 315.377 1.846 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](CO)CC1)OCCO2 ZINC000816666501 702138233 /nfs/dbraw/zinc/13/82/33/702138233.db2.gz OMAUQFOCQZYDLT-LBPRGKRZSA-N 1 1 322.361 1.960 20 5 DDBDMO Cc1sc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812321514 702147134 /nfs/dbraw/zinc/14/71/34/702147134.db2.gz DMDYEOITZNMYEA-MNOVXSKESA-N 1 1 309.391 1.988 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000812860197 702252601 /nfs/dbraw/zinc/25/26/01/702252601.db2.gz XPGYTMJWWFGZPB-AAEUAGOBSA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000812860197 702252604 /nfs/dbraw/zinc/25/26/04/702252604.db2.gz XPGYTMJWWFGZPB-AAEUAGOBSA-N 1 1 316.304 1.578 20 5 DDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)CO ZINC000817417829 702376422 /nfs/dbraw/zinc/37/64/22/702376422.db2.gz RQANTAJKHDDSQN-LLVKDONJSA-N 1 1 302.758 1.812 20 5 DDBDMO Nc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000843058950 702809980 /nfs/dbraw/zinc/80/99/80/702809980.db2.gz AATAZXFTXPMEEN-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000845735917 703194987 /nfs/dbraw/zinc/19/49/87/703194987.db2.gz MZWRWFVBVVNPRN-JTQLQIEISA-N 1 1 310.354 1.841 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580626 706727027 /nfs/dbraw/zinc/72/70/27/706727027.db2.gz IPUKDFVUHYLSFV-BMFZPTHFSA-N 1 1 305.378 1.654 20 5 DDBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000848520491 703560430 /nfs/dbraw/zinc/56/04/30/703560430.db2.gz QOUIKTOMIJYDPN-SKDRFNHKSA-N 1 1 318.333 1.638 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000852345806 704019403 /nfs/dbraw/zinc/01/94/03/704019403.db2.gz JRWHDFDVFYUKGO-XRGAULLZSA-N 1 1 306.362 1.721 20 5 DDBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789996 704132967 /nfs/dbraw/zinc/13/29/67/704132967.db2.gz LXJYCTUEUGYULM-NWDGAFQWSA-N 1 1 310.354 1.597 20 5 DDBDMO Nc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1[N+](=O)[O-] ZINC000854496498 704407879 /nfs/dbraw/zinc/40/78/79/704407879.db2.gz HFPYRDWIZSJOBU-UHFFFAOYSA-N 1 1 315.333 1.891 20 5 DDBDMO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000855360250 704480586 /nfs/dbraw/zinc/48/05/86/704480586.db2.gz DFCZGCNYHHGSFU-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO COc1cc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000858866867 704766244 /nfs/dbraw/zinc/76/62/44/704766244.db2.gz IQFKEUJNFMSMOL-JTQLQIEISA-N 1 1 311.338 1.091 20 5 DDBDMO Cn1cc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000859056275 704792022 /nfs/dbraw/zinc/79/20/22/704792022.db2.gz VVWCVJUZPOFFHV-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836666 705193537 /nfs/dbraw/zinc/19/35/37/705193537.db2.gz GJWXXFVAYULFIT-HUUCEWRRSA-N 1 1 303.362 1.832 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002748 705352678 /nfs/dbraw/zinc/35/26/78/705352678.db2.gz HAMAOQHRSSAJGL-JTQLQIEISA-N 1 1 307.354 1.640 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658083 705500767 /nfs/dbraw/zinc/50/07/67/705500767.db2.gz IHRIOANFWJBDNE-GFCCVEGCSA-N 1 1 323.397 1.336 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000825722252 705722189 /nfs/dbraw/zinc/72/21/89/705722189.db2.gz VSJFELKXXCTGTQ-OAHLLOKOSA-N 1 1 321.377 1.619 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000862794085 705799633 /nfs/dbraw/zinc/79/96/33/705799633.db2.gz WHCSEKRSFCUHTG-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863319842 705900073 /nfs/dbraw/zinc/90/00/73/705900073.db2.gz QBMUFEZIHUGANZ-HBIYDYFMSA-N 1 1 319.361 1.181 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827346625 705982198 /nfs/dbraw/zinc/98/21/98/705982198.db2.gz PSBOFNCFIKVFKU-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827358354 705984900 /nfs/dbraw/zinc/98/49/00/705984900.db2.gz XRYPVLAMQDANTA-RISCZKNCSA-N 1 1 304.350 1.464 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000877789307 706213718 /nfs/dbraw/zinc/21/37/18/706213718.db2.gz IENXCGBOHLGGCA-KBPBESRZSA-N 1 1 324.402 1.504 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000877789307 706213719 /nfs/dbraw/zinc/21/37/19/706213719.db2.gz IENXCGBOHLGGCA-KBPBESRZSA-N 1 1 324.402 1.504 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605340 706475407 /nfs/dbraw/zinc/47/54/07/706475407.db2.gz SMVKPJRZIDHRHP-CYBMUJFWSA-N 1 1 321.352 1.877 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC000865793943 706528184 /nfs/dbraw/zinc/52/81/84/706528184.db2.gz GAGJDHMINCSBEX-JTQLQIEISA-N 1 1 306.297 1.850 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H](C(F)(F)F)O1 ZINC000880056157 706865674 /nfs/dbraw/zinc/86/56/74/706865674.db2.gz CAELRYGIQQLFMN-ZJUUUORDSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H](C(F)(F)F)O1 ZINC000880056157 706865675 /nfs/dbraw/zinc/86/56/75/706865675.db2.gz CAELRYGIQQLFMN-ZJUUUORDSA-N 1 1 322.287 1.833 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C(C)(C)C1 ZINC000867123252 706903563 /nfs/dbraw/zinc/90/35/63/706903563.db2.gz YMIOZFULWYXHCK-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000880425585 706970410 /nfs/dbraw/zinc/97/04/10/706970410.db2.gz GHAWSLYHBHVUPG-IUODEOHRSA-N 1 1 310.350 1.839 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C[C@@H]1CO ZINC000880490414 706992679 /nfs/dbraw/zinc/99/26/79/706992679.db2.gz QLSRBPKTHHPUAS-CYBMUJFWSA-N 1 1 305.334 1.465 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882482886 707652981 /nfs/dbraw/zinc/65/29/81/707652981.db2.gz OQVSQVBOQQXVPF-UHFFFAOYSA-N 1 1 312.345 1.676 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000882482576 707653445 /nfs/dbraw/zinc/65/34/45/707653445.db2.gz RZPZWZJWYIJTRY-LBPRGKRZSA-N 1 1 306.366 1.607 20 5 DDBDMO Cc1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221119 708258723 /nfs/dbraw/zinc/25/87/23/708258723.db2.gz HLOXKMMTJRIJSF-KBPBESRZSA-N 1 1 306.366 1.334 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886067791 708691958 /nfs/dbraw/zinc/69/19/58/708691958.db2.gz OXGMZINZUUOLIQ-HNNXBMFYSA-N 1 1 319.409 1.202 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000886285641 708735811 /nfs/dbraw/zinc/73/58/11/708735811.db2.gz OQXSUKGFQBRCLE-CQSZACIVSA-N 1 1 306.366 1.021 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000887091828 708952902 /nfs/dbraw/zinc/95/29/02/708952902.db2.gz XTDVDCYDMYZLIK-UHFFFAOYSA-N 1 1 311.313 1.119 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739802 713079561 /nfs/dbraw/zinc/07/95/61/713079561.db2.gz HQIDKFGNWOXHQI-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739802 713079564 /nfs/dbraw/zinc/07/95/64/713079564.db2.gz HQIDKFGNWOXHQI-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@@H+](C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739942 713080226 /nfs/dbraw/zinc/08/02/26/713080226.db2.gz KSLCERPVUGYWPH-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@H+](C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739942 713080228 /nfs/dbraw/zinc/08/02/28/713080228.db2.gz KSLCERPVUGYWPH-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912954600 713134468 /nfs/dbraw/zinc/13/44/68/713134468.db2.gz RBLAPFTXIRIJKB-UHFFFAOYSA-N 1 1 324.381 1.164 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NCC[N@H+]1CCc2ccccc2C1 ZINC000891715832 710273765 /nfs/dbraw/zinc/27/37/65/710273765.db2.gz HTQINDMGDQOVLD-UHFFFAOYSA-N 1 1 301.350 1.799 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266468 710583175 /nfs/dbraw/zinc/58/31/75/710583175.db2.gz RDDPMBWBZVTTQQ-ZDUSSCGKSA-N 1 1 320.393 1.778 20 5 DDBDMO CC(C)Oc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893933532 710891655 /nfs/dbraw/zinc/89/16/55/710891655.db2.gz AQNYLQMMVITDOE-DGCLKSJQSA-N 1 1 306.366 1.917 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000894590499 711198437 /nfs/dbraw/zinc/19/84/37/711198437.db2.gz CQGRFECCARESIB-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246341 711463857 /nfs/dbraw/zinc/46/38/57/711463857.db2.gz NBFHJVGEASGMPJ-PWSUYJOCSA-N 1 1 310.402 1.166 20 5 DDBDMO O=[N+]([O-])CC[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000905035775 711915073 /nfs/dbraw/zinc/91/50/73/711915073.db2.gz QAJKMIKTUCHVET-UHFFFAOYSA-N 1 1 306.410 1.061 20 5 DDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)c(Cl)c1 ZINC000905203303 711967151 /nfs/dbraw/zinc/96/71/51/711967151.db2.gz QXYJWRWPWNUMPF-NSHDSACASA-N 1 1 318.160 1.965 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000908347226 712748116 /nfs/dbraw/zinc/74/81/16/712748116.db2.gz KRPHHXCWHVBQRK-JSGCOSHPSA-N 1 1 303.362 1.988 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000908512390 712793372 /nfs/dbraw/zinc/79/33/72/712793372.db2.gz LBZJLXMFZLQIGH-ZBINZKHDSA-N 1 1 307.350 1.227 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930100362 713756168 /nfs/dbraw/zinc/75/61/68/713756168.db2.gz SVKMPGIGTSXUDK-HEHGZKQESA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)C2 ZINC000930100362 713756170 /nfs/dbraw/zinc/75/61/70/713756170.db2.gz SVKMPGIGTSXUDK-HEHGZKQESA-N 1 1 304.346 1.757 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931393145 714082842 /nfs/dbraw/zinc/08/28/42/714082842.db2.gz DKJNWPQPRZUAON-GASCZTMLSA-N 1 1 318.377 1.702 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CCn3cc[nH+]c32)c2c(c1)COCO2 ZINC000931528235 714120284 /nfs/dbraw/zinc/12/02/84/714120284.db2.gz BVNJXVLVEQVZCC-UHFFFAOYSA-N 1 1 302.290 1.678 20 5 DDBDMO Cn1ccc(C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC000932141894 714270068 /nfs/dbraw/zinc/27/00/68/714270068.db2.gz ZHRDQLHDWMXBRL-UHFFFAOYSA-N 1 1 304.354 1.441 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000933036816 714505844 /nfs/dbraw/zinc/50/58/44/714505844.db2.gz UMSDIAMBKZRUKN-ZDUSSCGKSA-N 1 1 323.324 1.119 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934255065 714775815 /nfs/dbraw/zinc/77/58/15/714775815.db2.gz OJJICVSFFDOSSH-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934255065 714775816 /nfs/dbraw/zinc/77/58/16/714775816.db2.gz OJJICVSFFDOSSH-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934255065 714775817 /nfs/dbraw/zinc/77/58/17/714775817.db2.gz OJJICVSFFDOSSH-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c(F)c1 ZINC001164966775 722070694 /nfs/dbraw/zinc/07/06/94/722070694.db2.gz BVOLHDAXIPRXOO-BETUJISGSA-N 1 1 322.340 1.428 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(Cl)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932088 742776059 /nfs/dbraw/zinc/77/60/59/742776059.db2.gz HVZRBDLIFNSMBR-RKDXNWHRSA-N 1 1 303.771 1.273 20 5 DDBDMO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001002789620 743419374 /nfs/dbraw/zinc/41/93/74/743419374.db2.gz WGWLMRJPQIVTRJ-CHWSQXEVSA-N 1 1 324.406 1.197 20 5 DDBDMO O=[N+]([O-])c1cnc2cccc(NCC3([NH+]4CCCC4)COC3)n21 ZINC001168450399 745106411 /nfs/dbraw/zinc/10/64/11/745106411.db2.gz OQTHERMLTISSPN-UHFFFAOYSA-N 1 1 317.349 1.519 20 5 DDBDMO CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038632 762193508 /nfs/dbraw/zinc/19/35/08/762193508.db2.gz JMBWXFDHYSRBNK-TZMCWYRMSA-N 1 1 313.398 1.985 20 5 DDBDMO COc1cc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056367 762211200 /nfs/dbraw/zinc/21/12/00/762211200.db2.gz SLESEXBMHIKDRB-UMVBOHGHSA-N 1 1 321.377 1.989 20 5 DDBDMO CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544081 758011679 /nfs/dbraw/zinc/01/16/79/758011679.db2.gz KFJNDZJEHHTEQT-XJFOESAGSA-N 1 1 309.410 1.763 20 5 DDBDMO CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544081 758011691 /nfs/dbraw/zinc/01/16/91/758011691.db2.gz KFJNDZJEHHTEQT-XJFOESAGSA-N 1 1 309.410 1.763 20 5 DDBDMO CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544081 758011703 /nfs/dbraw/zinc/01/17/03/758011703.db2.gz KFJNDZJEHHTEQT-XJFOESAGSA-N 1 1 309.410 1.763 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139332 760613975 /nfs/dbraw/zinc/61/39/75/760613975.db2.gz YAHMUJIAOVBVOF-DDHJBXDOSA-N 1 1 324.768 1.137 20 5 DDBDMO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001086363290 761493066 /nfs/dbraw/zinc/49/30/66/761493066.db2.gz MATZITRMXOLEOR-KLHDSHLOSA-N 1 1 317.389 1.645 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2ccsc2)CC1 ZINC001045437642 766306461 /nfs/dbraw/zinc/30/64/61/766306461.db2.gz WQKOFXAPABEFLZ-CHWSQXEVSA-N 1 1 323.418 1.884 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC1CC(C)(C)C1 ZINC001132771550 769176951 /nfs/dbraw/zinc/17/69/51/769176951.db2.gz VBPFAYQULZQRRU-UHFFFAOYSA-N 1 1 323.397 1.360 20 5 DDBDMO Cc1cc(NCCNC(=O)C[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001093674053 774989026 /nfs/dbraw/zinc/98/90/26/774989026.db2.gz LWFSVPRRILUITB-UHFFFAOYSA-N 1 1 309.370 1.167 20 5 DDBDMO Cc1nc(N(C)CCNC(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001100149803 775735172 /nfs/dbraw/zinc/73/51/72/775735172.db2.gz QPXAVAIAUDGFNE-UHFFFAOYSA-N 1 1 323.397 1.191 20 5 DDBDMO CCN(CCNC(=O)CC[N@@H+](C)CC)c1ncccc1[N+](=O)[O-] ZINC001100607394 776359393 /nfs/dbraw/zinc/35/93/93/776359393.db2.gz YQFIJCKILGYJGO-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001173222150 777055148 /nfs/dbraw/zinc/05/51/48/777055148.db2.gz PNQWIGZJUBOLLT-IUODEOHRSA-N 1 1 310.394 1.980 20 5 DDBDMO COC(=O)CO[C@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232453 777063537 /nfs/dbraw/zinc/06/35/37/777063537.db2.gz BLYAJHCEVDEJJQ-DOMZBBRYSA-N 1 1 322.361 1.790 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860599 779214472 /nfs/dbraw/zinc/21/44/72/779214472.db2.gz GFNDWRYQWJKZDM-LLVKDONJSA-N 1 1 308.338 1.156 20 5 DDBDMO COC(=O)c1cc(NC(=O)Cn2c[nH+]cc2C)cc([N+](=O)[O-])c1 ZINC001360572354 881380708 /nfs/dbraw/zinc/38/07/08/881380708.db2.gz CSKOESLLZYTERI-UHFFFAOYSA-N 1 1 318.289 1.525 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020136 859530147 /nfs/dbraw/zinc/53/01/47/859530147.db2.gz OOAJUAZQBRSMDJ-HUBLWGQQSA-N 1 1 318.377 1.160 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408441 864634249 /nfs/dbraw/zinc/63/42/49/864634249.db2.gz JIYGQWOHSQEYNH-UHFFFAOYSA-N 1 1 321.337 1.963 20 5 DDBDMO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001320000597 866425100 /nfs/dbraw/zinc/42/51/00/866425100.db2.gz VCLOHUDHFZKDDF-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001320000597 866425114 /nfs/dbraw/zinc/42/51/14/866425114.db2.gz VCLOHUDHFZKDDF-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001320000597 866425124 /nfs/dbraw/zinc/42/51/24/866425124.db2.gz VCLOHUDHFZKDDF-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO COc1nc(N[C@]2(C)CCC[N@@H+](C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162341389 867473846 /nfs/dbraw/zinc/47/38/46/867473846.db2.gz MARDQGXSGPMDQR-CYBMUJFWSA-N 1 1 311.342 1.298 20 5 DDBDMO Cc1ccnc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001163118340 868117972 /nfs/dbraw/zinc/11/79/72/868117972.db2.gz XERMYRYPQFVLCW-NSHDSACASA-N 1 1 322.365 1.403 20 5 DDBDMO COC(=O)/C(C)=C/C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999815 871463216 /nfs/dbraw/zinc/46/32/16/871463216.db2.gz OTXNXEJAUUIDTA-XKOZXHHJSA-N 1 1 308.334 1.511 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001310993119 871667526 /nfs/dbraw/zinc/66/75/26/871667526.db2.gz WWHAWJNIEZZPSV-NDMJEZRESA-N 1 1 319.365 1.639 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001348747747 874757691 /nfs/dbraw/zinc/75/76/91/874757691.db2.gz PBKDVQJZQYUTPO-YNEHKIRRSA-N 1 1 318.377 1.463 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1C1CCCC1 ZINC001350603643 875782112 /nfs/dbraw/zinc/78/21/12/875782112.db2.gz WIPJIKGJGNQGND-SNVBAGLBSA-N 1 1 307.354 1.407 20 5 DDBDMO C[N@H+]1C[C@@]23CN(C(=O)c4cc([N+](=O)[O-])n[nH]4)C[C@]2(C1)CCCC3 ZINC001353956116 877662832 /nfs/dbraw/zinc/66/28/32/877662832.db2.gz UUMCTQXSYUECMP-GASCZTMLSA-N 1 1 319.365 1.266 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](OCCc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224331282 881331573 /nfs/dbraw/zinc/33/15/73/881331573.db2.gz ONZDRETXIYNMIX-NUEKZKHPSA-N 1 1 304.346 1.958 20 5 DDBDMO C[N@H+]1CC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229562773 884049361 /nfs/dbraw/zinc/04/93/61/884049361.db2.gz IDAAMETVTURVOD-QMMMGPOBSA-N 1 1 302.128 1.835 20 5 DDBDMO C[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC001290900461 913536549 /nfs/dbraw/zinc/53/65/49/913536549.db2.gz UYGRNIOCIRWHMR-MNOVXSKESA-N 1 1 321.381 1.422 20 5 DDBDMO CCN(CC)CCNC(=[NH2+])N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550243 896498765 /nfs/dbraw/zinc/49/87/65/896498765.db2.gz GIYBPKIPBLLYBC-CYBMUJFWSA-N 1 1 321.425 1.982 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001254553819 896499329 /nfs/dbraw/zinc/49/93/29/896499329.db2.gz ZQALIKTUIKTVQP-KCXAZCMYSA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001254564401 896501631 /nfs/dbraw/zinc/50/16/31/896501631.db2.gz LNDLKGKDQROGFX-OCCSQVGLSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001254564401 896501643 /nfs/dbraw/zinc/50/16/43/896501643.db2.gz LNDLKGKDQROGFX-OCCSQVGLSA-N 1 1 319.361 1.069 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605018 896528029 /nfs/dbraw/zinc/52/80/29/896528029.db2.gz ZTGIHZHPVJIJNU-WFASDCNBSA-N 1 1 304.346 1.947 20 5 DDBDMO Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)cc([N+](=O)[O-])c1 ZINC001264010943 900870853 /nfs/dbraw/zinc/87/08/53/900870853.db2.gz QHRXEGHCDZKFKE-RISCZKNCSA-N 1 1 304.350 1.230 20 5 DDBDMO CCc1onc(C)c1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265843205 902478069 /nfs/dbraw/zinc/47/80/69/902478069.db2.gz WVOFWAWXHANOSC-DGCLKSJQSA-N 1 1 324.381 1.149 20 5 DDBDMO CCc1onc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265843205 902478079 /nfs/dbraw/zinc/47/80/79/902478079.db2.gz WVOFWAWXHANOSC-DGCLKSJQSA-N 1 1 324.381 1.149 20 5 DDBDMO CCc1onc(C)c1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265843205 902478089 /nfs/dbraw/zinc/47/80/89/902478089.db2.gz WVOFWAWXHANOSC-DGCLKSJQSA-N 1 1 324.381 1.149 20 5 DDBDMO CC(C)n1ccc(CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001265843014 902478784 /nfs/dbraw/zinc/47/87/84/902478784.db2.gz SSJBYWPSFGWHAD-ZIAGYGMSSA-N 1 1 323.397 1.067 20 5 DDBDMO COCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001266181827 903074185 /nfs/dbraw/zinc/07/41/85/903074185.db2.gz RCOBVLKCIHMRFX-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001297105294 916729270 /nfs/dbraw/zinc/72/92/70/916729270.db2.gz SUWDZPGXBLHUEC-UHFFFAOYSA-N 1 1 314.305 1.292 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305361550 231003836 /nfs/dbraw/zinc/00/38/36/231003836.db2.gz UEYDNHKERNMGSR-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249478133 282159002 /nfs/dbraw/zinc/15/90/02/282159002.db2.gz AKILFUQAIZUYFN-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000319016653 231179052 /nfs/dbraw/zinc/17/90/52/231179052.db2.gz CPKLVXMJPCGWLS-WCBMZHEXSA-N 1 1 310.329 1.529 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090562885 185303939 /nfs/dbraw/zinc/30/39/39/185303939.db2.gz WSMXXARGADBZBR-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000090562885 185303940 /nfs/dbraw/zinc/30/39/40/185303940.db2.gz WSMXXARGADBZBR-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413105326 529790057 /nfs/dbraw/zinc/79/00/57/529790057.db2.gz NNNICOXQNNRSTC-CYBMUJFWSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413105326 529790058 /nfs/dbraw/zinc/79/00/58/529790058.db2.gz NNNICOXQNNRSTC-CYBMUJFWSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CC[C@](O)(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985270 529809733 /nfs/dbraw/zinc/80/97/33/529809733.db2.gz TZOSZQQBOBTPFZ-CVEARBPZSA-N 1 1 305.378 1.628 20 5 DDBDMO CN1CC[C@](O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985270 529809734 /nfs/dbraw/zinc/80/97/34/529809734.db2.gz TZOSZQQBOBTPFZ-CVEARBPZSA-N 1 1 305.378 1.628 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286654072 219105797 /nfs/dbraw/zinc/10/57/97/219105797.db2.gz UHYODYGAFIUJQW-ZLKJLUDKSA-N 1 1 307.350 1.767 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444669938 529852172 /nfs/dbraw/zinc/85/21/72/529852172.db2.gz XIEBLQXWUCZSBY-UHFFFAOYSA-N 1 1 305.338 1.429 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC000295642027 530065196 /nfs/dbraw/zinc/06/51/96/530065196.db2.gz QUZPNDQGUFOSSN-HNNXBMFYSA-N 1 1 320.349 1.253 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1cccc(F)c1 ZINC000358278069 299112408 /nfs/dbraw/zinc/11/24/08/299112408.db2.gz UGRTVRGUXSHNQV-UHFFFAOYSA-N 1 1 321.312 1.501 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1cccc(F)c1 ZINC000358278069 299112409 /nfs/dbraw/zinc/11/24/09/299112409.db2.gz UGRTVRGUXSHNQV-UHFFFAOYSA-N 1 1 321.312 1.501 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299482667 282379416 /nfs/dbraw/zinc/37/94/16/282379416.db2.gz DBMMJMDLMBIHIA-UHFFFAOYSA-N 1 1 316.321 1.196 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649278 210054466 /nfs/dbraw/zinc/05/44/66/210054466.db2.gz ZAFAHVRAPVPCEE-YPMHNXCESA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649278 210054470 /nfs/dbraw/zinc/05/44/70/210054470.db2.gz ZAFAHVRAPVPCEE-YPMHNXCESA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279790386 215148436 /nfs/dbraw/zinc/14/84/36/215148436.db2.gz OGTRKTFUTSUYRQ-AWEZNQCLSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000055900137 352749415 /nfs/dbraw/zinc/74/94/15/352749415.db2.gz VMYREODTRQFECT-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000060064461 352864547 /nfs/dbraw/zinc/86/45/47/352864547.db2.gz MXFLHOZCADJFCB-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000064334022 352933802 /nfs/dbraw/zinc/93/38/02/352933802.db2.gz CFPNLPUTFBOTBO-UONOGXRCSA-N 1 1 319.361 1.496 20 5 DDBDMO COCCC[N@@H+](CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535869 352954410 /nfs/dbraw/zinc/95/44/10/352954410.db2.gz XYJXKOPEKMZPTP-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000069502707 353164023 /nfs/dbraw/zinc/16/40/23/353164023.db2.gz XIQBPKSNGCSNLQ-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174613051 198359357 /nfs/dbraw/zinc/35/93/57/198359357.db2.gz XWXODMWXNBECOU-OLZOCXBDSA-N 1 1 321.377 1.512 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174613051 198359358 /nfs/dbraw/zinc/35/93/58/198359358.db2.gz XWXODMWXNBECOU-OLZOCXBDSA-N 1 1 321.377 1.512 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2cccs2)CC1 ZINC000355791901 291008663 /nfs/dbraw/zinc/00/86/63/291008663.db2.gz ILMSACBXVCNRDX-UHFFFAOYSA-N 1 1 321.406 1.708 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112703456 353973863 /nfs/dbraw/zinc/97/38/63/353973863.db2.gz SCHZYEKRNHQHRV-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000124876557 354042065 /nfs/dbraw/zinc/04/20/65/354042065.db2.gz FFKVGDUWMIBWBY-RKDXNWHRSA-N 1 1 317.342 1.282 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142296427 354144052 /nfs/dbraw/zinc/14/40/52/354144052.db2.gz VLAJBSFQLIVREI-AWEZNQCLSA-N 1 1 303.362 1.834 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739852 354201221 /nfs/dbraw/zinc/20/12/21/354201221.db2.gz DYOOXXGQBNOPRR-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739852 354201223 /nfs/dbraw/zinc/20/12/23/354201223.db2.gz DYOOXXGQBNOPRR-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156639114 354220781 /nfs/dbraw/zinc/22/07/81/354220781.db2.gz OWJUIELAOGZCLH-CQSZACIVSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156639114 354220783 /nfs/dbraw/zinc/22/07/83/354220783.db2.gz OWJUIELAOGZCLH-CQSZACIVSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157105236 354223154 /nfs/dbraw/zinc/22/31/54/354223154.db2.gz SINQPIQYFFDDFG-HIFRSBDPSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H](O)C[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157105236 354223157 /nfs/dbraw/zinc/22/31/57/354223157.db2.gz SINQPIQYFFDDFG-HIFRSBDPSA-N 1 1 324.377 1.835 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986644 354888956 /nfs/dbraw/zinc/88/89/56/354888956.db2.gz FLIKTCIWMYSKKA-CYBMUJFWSA-N 1 1 322.409 1.980 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000589495778 354996268 /nfs/dbraw/zinc/99/62/68/354996268.db2.gz LWPMAFMIKQRKIA-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000589495778 354996271 /nfs/dbraw/zinc/99/62/71/354996271.db2.gz LWPMAFMIKQRKIA-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCOC2)c1 ZINC000589502768 354996912 /nfs/dbraw/zinc/99/69/12/354996912.db2.gz JLAOVMRCWFRITN-LLVKDONJSA-N 1 1 308.334 1.850 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000589510901 354997627 /nfs/dbraw/zinc/99/76/27/354997627.db2.gz UNJXPNISUIDLIX-PWSUYJOCSA-N 1 1 308.334 1.584 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590046695 355043393 /nfs/dbraw/zinc/04/33/93/355043393.db2.gz MMNCGAYGBVSGDE-UKRRQHHQSA-N 1 1 303.362 1.608 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441567 355095477 /nfs/dbraw/zinc/09/54/77/355095477.db2.gz DAKPKNWYHNDAFA-BXUZGUMPSA-N 1 1 304.350 1.413 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590443455 355097487 /nfs/dbraw/zinc/09/74/87/355097487.db2.gz KKVUJZJVTKDJAD-GWCFXTLKSA-N 1 1 304.350 1.413 20 5 DDBDMO [NH3+]CC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592424741 355579323 /nfs/dbraw/zinc/57/93/23/355579323.db2.gz WPGOMLMSVIVUHF-UHFFFAOYSA-N 1 1 307.350 1.537 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)CO1 ZINC000593058259 355782950 /nfs/dbraw/zinc/78/29/50/355782950.db2.gz KBGSRWKILUBZRK-JSGCOSHPSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)CO1 ZINC000593058259 355782954 /nfs/dbraw/zinc/78/29/54/355782954.db2.gz KBGSRWKILUBZRK-JSGCOSHPSA-N 1 1 309.366 1.646 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593066743 355785517 /nfs/dbraw/zinc/78/55/17/355785517.db2.gz REPBQTHQZQZQRY-VXGBXAGGSA-N 1 1 300.742 1.830 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593066743 355785518 /nfs/dbraw/zinc/78/55/18/355785518.db2.gz REPBQTHQZQZQRY-VXGBXAGGSA-N 1 1 300.742 1.830 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)CCO ZINC000593108186 355801111 /nfs/dbraw/zinc/80/11/11/355801111.db2.gz URBKETARKJQCOP-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)CCO ZINC000593108186 355801115 /nfs/dbraw/zinc/80/11/15/355801115.db2.gz URBKETARKJQCOP-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593161975 355814996 /nfs/dbraw/zinc/81/49/96/355814996.db2.gz FUUCGSMJOISTBE-MRXNPFEDSA-N 1 1 321.352 1.831 20 5 DDBDMO COCCOCC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000593519260 355911367 /nfs/dbraw/zinc/91/13/67/355911367.db2.gz YCJKUDSCFYYYHG-UHFFFAOYSA-N 1 1 323.393 1.688 20 5 DDBDMO CC[N@@H+](CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593450254 355888718 /nfs/dbraw/zinc/88/87/18/355888718.db2.gz JLONAKFRJWLQFE-UHFFFAOYSA-N 1 1 309.341 1.877 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000593485964 355900451 /nfs/dbraw/zinc/90/04/51/355900451.db2.gz DRZSJBMUUCYXHG-GWCFXTLKSA-N 1 1 309.341 1.875 20 5 DDBDMO C[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594817379 356326210 /nfs/dbraw/zinc/32/62/10/356326210.db2.gz QLSSNXZGFXLQKX-SECBINFHSA-N 1 1 319.358 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594846476 356335137 /nfs/dbraw/zinc/33/51/37/356335137.db2.gz JNHWFUVNBWUCAQ-UHFFFAOYSA-N 1 1 313.379 1.085 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425013 356487308 /nfs/dbraw/zinc/48/73/08/356487308.db2.gz QUUPAXKJVJIZLP-CQSZACIVSA-N 1 1 308.382 1.049 20 5 DDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595384343 356473644 /nfs/dbraw/zinc/47/36/44/356473644.db2.gz JBSLOGKHDREVAE-AWEZNQCLSA-N 1 1 314.313 1.792 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742434 356631126 /nfs/dbraw/zinc/63/11/26/356631126.db2.gz GMDNDLJIJKUQOS-IJLUTSLNSA-N 1 1 321.377 1.871 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1COCCO1 ZINC000595742127 356631567 /nfs/dbraw/zinc/63/15/67/356631567.db2.gz ODPMDWFNFBDSCN-CQSZACIVSA-N 1 1 324.333 1.309 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1COCCO1 ZINC000595742127 356631572 /nfs/dbraw/zinc/63/15/72/356631572.db2.gz ODPMDWFNFBDSCN-CQSZACIVSA-N 1 1 324.333 1.309 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595728781 356625178 /nfs/dbraw/zinc/62/51/78/356625178.db2.gz OWHMWUFJAAJYAS-CHWSQXEVSA-N 1 1 319.361 1.704 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766830 356643825 /nfs/dbraw/zinc/64/38/25/356643825.db2.gz RSELMDFXVOYNNE-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766830 356643830 /nfs/dbraw/zinc/64/38/30/356643830.db2.gz RSELMDFXVOYNNE-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595760050 356640971 /nfs/dbraw/zinc/64/09/71/356640971.db2.gz RWXVRWRSACDOHN-MLGOLLRUSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595760050 356640976 /nfs/dbraw/zinc/64/09/76/356640976.db2.gz RWXVRWRSACDOHN-MLGOLLRUSA-N 1 1 319.361 1.810 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595807864 356658619 /nfs/dbraw/zinc/65/86/19/356658619.db2.gz BGQWFPWGPWOGTK-DGCLKSJQSA-N 1 1 301.346 1.826 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595807864 356658620 /nfs/dbraw/zinc/65/86/20/356658620.db2.gz BGQWFPWGPWOGTK-DGCLKSJQSA-N 1 1 301.346 1.826 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595868888 356684972 /nfs/dbraw/zinc/68/49/72/356684972.db2.gz BYLHVNQMQXXRLP-HWWQOWPSSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595868888 356684977 /nfs/dbraw/zinc/68/49/77/356684977.db2.gz BYLHVNQMQXXRLP-HWWQOWPSSA-N 1 1 321.377 1.872 20 5 DDBDMO C[NH2+]C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237127765 202160658 /nfs/dbraw/zinc/16/06/58/202160658.db2.gz YEQZPKHDFGSMRS-JTQLQIEISA-N 1 1 303.322 1.295 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC(C[NH+]3CCOCC3)C2)n1 ZINC000596239473 356829068 /nfs/dbraw/zinc/82/90/68/356829068.db2.gz ITJPCFBRAIVTJF-UHFFFAOYSA-N 1 1 306.366 1.375 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596133999 356785625 /nfs/dbraw/zinc/78/56/25/356785625.db2.gz BSUIZJBFIPJYAB-AWEZNQCLSA-N 1 1 306.366 1.470 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596137430 356787153 /nfs/dbraw/zinc/78/71/53/356787153.db2.gz UUXQUAMKBYKPCS-UHFFFAOYSA-N 1 1 322.756 1.703 20 5 DDBDMO Cn1c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597714734 357298686 /nfs/dbraw/zinc/29/86/86/357298686.db2.gz ISDRSLTUWYUEKA-OAHLLOKOSA-N 1 1 306.366 1.491 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714170 357298870 /nfs/dbraw/zinc/29/88/70/357298870.db2.gz HAIGTEOVKIDQSW-AWEZNQCLSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714170 357298875 /nfs/dbraw/zinc/29/88/75/357298875.db2.gz HAIGTEOVKIDQSW-AWEZNQCLSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714170 357298878 /nfs/dbraw/zinc/29/88/78/357298878.db2.gz HAIGTEOVKIDQSW-AWEZNQCLSA-N 1 1 307.354 1.184 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598451608 357588099 /nfs/dbraw/zinc/58/80/99/357588099.db2.gz CCBLCBLYKMEMCV-CYBMUJFWSA-N 1 1 319.361 1.266 20 5 DDBDMO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000598668055 357678172 /nfs/dbraw/zinc/67/81/72/357678172.db2.gz OOELQRKTFWLWFA-VFZGTOFNSA-N 1 1 315.333 1.425 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600354 357648705 /nfs/dbraw/zinc/64/87/05/357648705.db2.gz AVUSQFCIORDKOK-NXEZZACHSA-N 1 1 320.349 1.814 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674127 358019521 /nfs/dbraw/zinc/01/95/21/358019521.db2.gz YUTVNKOZJXRCHM-XBXGTLAGSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006528 199105441 /nfs/dbraw/zinc/10/54/41/199105441.db2.gz JKGBWKCROZKPNB-LLVKDONJSA-N 1 1 321.333 1.538 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937114 358085156 /nfs/dbraw/zinc/08/51/56/358085156.db2.gz DTRFOQPGDIQBCH-JSGCOSHPSA-N 1 1 323.324 1.015 20 5 DDBDMO NC(=O)[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000274563506 283355685 /nfs/dbraw/zinc/35/56/85/283355685.db2.gz BSVUJJSGNQSMQH-SECBINFHSA-N 1 1 319.148 1.165 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000600836793 358329399 /nfs/dbraw/zinc/32/93/99/358329399.db2.gz CFALFRGMLKDFCU-NSHDSACASA-N 1 1 320.349 1.442 20 5 DDBDMO CC(C)[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601102667 358402582 /nfs/dbraw/zinc/40/25/82/358402582.db2.gz CNKJORODNHLUEN-UHFFFAOYSA-N 1 1 321.303 1.878 20 5 DDBDMO CN1CCOC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601203505 358445874 /nfs/dbraw/zinc/44/58/74/358445874.db2.gz RRNBGNZLDLWQAH-LBPRGKRZSA-N 1 1 302.334 1.307 20 5 DDBDMO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601136387 358416958 /nfs/dbraw/zinc/41/69/58/358416958.db2.gz QNCCGBFQAOPMAV-BXUZGUMPSA-N 1 1 314.345 1.892 20 5 DDBDMO C=Cn1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149134 358422275 /nfs/dbraw/zinc/42/22/75/358422275.db2.gz JFZJWUJUXIQJKC-OAHLLOKOSA-N 1 1 302.334 1.889 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601158491 358426096 /nfs/dbraw/zinc/42/60/96/358426096.db2.gz UBDLUOJVHBHYGZ-UHFFFAOYSA-N 1 1 313.354 1.513 20 5 DDBDMO COC[C@]1(CO)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601172130 358432194 /nfs/dbraw/zinc/43/21/94/358432194.db2.gz VLXHNBMZHJZGSE-MRXNPFEDSA-N 1 1 317.345 1.978 20 5 DDBDMO C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](CO)C1 ZINC000601980391 358764849 /nfs/dbraw/zinc/76/48/49/358764849.db2.gz VCMYZAOQJUVPOE-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](CO)C1 ZINC000601980391 358764852 /nfs/dbraw/zinc/76/48/52/358764852.db2.gz VCMYZAOQJUVPOE-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO COc1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000602080590 358803671 /nfs/dbraw/zinc/80/36/71/358803671.db2.gz PYFUYWQILCYTSC-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)CC(C)(C)C ZINC000602135231 358836619 /nfs/dbraw/zinc/83/66/19/358836619.db2.gz YXFPHVWVEUBXNM-UHFFFAOYSA-N 1 1 320.393 1.852 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602476911 359003896 /nfs/dbraw/zinc/00/38/96/359003896.db2.gz XTHGIVIPWASGJC-LBPRGKRZSA-N 1 1 321.381 1.163 20 5 DDBDMO COC(=O)COc1ccc(C[NH2+]C2(C)COC2)cc1[N+](=O)[O-] ZINC000602739962 359159432 /nfs/dbraw/zinc/15/94/32/359159432.db2.gz OGGYGUGSKNZRSV-UHFFFAOYSA-N 1 1 310.306 1.025 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817620 359212992 /nfs/dbraw/zinc/21/29/92/359212992.db2.gz USJQETZMWDBZPX-BZPMIXESSA-N 1 1 322.365 1.373 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817620 359212996 /nfs/dbraw/zinc/21/29/96/359212996.db2.gz USJQETZMWDBZPX-BZPMIXESSA-N 1 1 322.365 1.373 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931189 359300509 /nfs/dbraw/zinc/30/05/09/359300509.db2.gz MJZOEUBALIEKHX-VHDGCEQUSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602959328 359322790 /nfs/dbraw/zinc/32/27/90/359322790.db2.gz SUJPMPJAUBQYMH-RYUDHWBXSA-N 1 1 321.381 1.667 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187152956 200069017 /nfs/dbraw/zinc/06/90/17/200069017.db2.gz YMTUUGVSDHYAAQ-SNVBAGLBSA-N 1 1 308.338 1.109 20 5 DDBDMO CCO[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436832 359750759 /nfs/dbraw/zinc/75/07/59/359750759.db2.gz ASQVPBYQBVPZDN-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188490099 200255051 /nfs/dbraw/zinc/25/50/51/200255051.db2.gz WCEBFDXGWTXUQI-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CC(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188490099 200255052 /nfs/dbraw/zinc/25/50/52/200255052.db2.gz WCEBFDXGWTXUQI-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO COc1ccc(CC(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000609044868 360257968 /nfs/dbraw/zinc/25/79/68/360257968.db2.gz YTDGIKCIIINLBG-UHFFFAOYSA-N 1 1 318.333 1.467 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189655515 200433483 /nfs/dbraw/zinc/43/34/83/200433483.db2.gz XXJNXROHGCNSKT-HOCLYGCPSA-N 1 1 324.377 1.571 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000609269196 360285961 /nfs/dbraw/zinc/28/59/61/360285961.db2.gz NABOLXQAHSWWKM-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609594379 360331046 /nfs/dbraw/zinc/33/10/46/360331046.db2.gz IWPJLKXTMGJXSH-GFCCVEGCSA-N 1 1 308.382 1.928 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000609675065 360343051 /nfs/dbraw/zinc/34/30/51/360343051.db2.gz RFMBUGPEENNJKI-GFCCVEGCSA-N 1 1 310.423 1.873 20 5 DDBDMO Cc1cnc(N2CCC([N@@H+](C)CCCO)CC2)c([N+](=O)[O-])c1 ZINC000610283985 360408909 /nfs/dbraw/zinc/40/89/09/360408909.db2.gz LREILMQQVXALGS-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180230 360651952 /nfs/dbraw/zinc/65/19/52/360651952.db2.gz VGILWVDWTVSJCA-ZYHUDNBSSA-N 1 1 316.304 1.922 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611087679 360619025 /nfs/dbraw/zinc/61/90/25/360619025.db2.gz CEWKGZYAPWDYHL-LBPRGKRZSA-N 1 1 305.378 1.998 20 5 DDBDMO CC[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092572 360621502 /nfs/dbraw/zinc/62/15/02/360621502.db2.gz ZXWZEJLEPRSPTL-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092572 360621506 /nfs/dbraw/zinc/62/15/06/360621506.db2.gz ZXWZEJLEPRSPTL-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092572 360621510 /nfs/dbraw/zinc/62/15/10/360621510.db2.gz ZXWZEJLEPRSPTL-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092297 360621962 /nfs/dbraw/zinc/62/19/62/360621962.db2.gz ODQPXSBFMFBKHQ-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO CCOCC[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616154 360777302 /nfs/dbraw/zinc/77/73/02/360777302.db2.gz QXZMKCZXDFARRI-UHFFFAOYSA-N 1 1 308.382 1.765 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292596651 223164642 /nfs/dbraw/zinc/16/46/42/223164642.db2.gz RIQXUGDPVHDKBY-OAHLLOKOSA-N 1 1 321.381 1.044 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253068 363946666 /nfs/dbraw/zinc/94/66/66/363946666.db2.gz QYEQFLJPDWXFFL-UONOGXRCSA-N 1 1 307.325 1.853 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000264593105 204014694 /nfs/dbraw/zinc/01/46/94/204014694.db2.gz LUHWOTJXLCGPDA-LBPRGKRZSA-N 1 1 308.338 1.437 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000264675708 204071962 /nfs/dbraw/zinc/07/19/62/204071962.db2.gz NJQPREXYZTUGOQ-UHFFFAOYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000264675708 204071965 /nfs/dbraw/zinc/07/19/65/204071965.db2.gz NJQPREXYZTUGOQ-UHFFFAOYSA-N 1 1 321.381 1.438 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000264821338 204183949 /nfs/dbraw/zinc/18/39/49/204183949.db2.gz XUCLYZWBXHSKLE-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000264821338 204183951 /nfs/dbraw/zinc/18/39/51/204183951.db2.gz XUCLYZWBXHSKLE-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000264821338 204183954 /nfs/dbraw/zinc/18/39/54/204183954.db2.gz XUCLYZWBXHSKLE-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000288499352 220182242 /nfs/dbraw/zinc/18/22/42/220182242.db2.gz MJFGACROHXRHEX-SNVBAGLBSA-N 1 1 313.379 1.233 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267660626 206202879 /nfs/dbraw/zinc/20/28/79/206202879.db2.gz ZKFPPDTWCDGLCT-UONOGXRCSA-N 1 1 323.393 1.281 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000566960567 304189638 /nfs/dbraw/zinc/18/96/38/304189638.db2.gz QAUGPVQYHJKMRP-UHFFFAOYSA-N 1 1 307.354 1.266 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[N@@H+](C)C1 ZINC000284569737 218081985 /nfs/dbraw/zinc/08/19/85/218081985.db2.gz HRZFEQSRBSLGQL-KBPBESRZSA-N 1 1 321.377 1.694 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])s2)[N@H+](C)C1 ZINC000284747219 218161184 /nfs/dbraw/zinc/16/11/84/218161184.db2.gz VGVKQPNCOCSGPH-UWVGGRQHSA-N 1 1 313.379 1.447 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])s2)[N@@H+](C)C1 ZINC000284747219 218161186 /nfs/dbraw/zinc/16/11/86/218161186.db2.gz VGVKQPNCOCSGPH-UWVGGRQHSA-N 1 1 313.379 1.447 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000284794152 218180234 /nfs/dbraw/zinc/18/02/34/218180234.db2.gz OERPLHXNHHGJDD-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105825723 194138085 /nfs/dbraw/zinc/13/80/85/194138085.db2.gz XGLYJJYLFLZQPJ-UKRRQHHQSA-N 1 1 307.394 1.872 20 5 DDBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CSC[NH2+]1 ZINC000269071101 207219917 /nfs/dbraw/zinc/21/99/17/207219917.db2.gz FHOOCIIVLCFYFP-SNVBAGLBSA-N 1 1 301.755 1.527 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110142 207249541 /nfs/dbraw/zinc/24/95/41/207249541.db2.gz IESJCWOIFWESRD-QWRGUYRKSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110142 207249544 /nfs/dbraw/zinc/24/95/44/207249544.db2.gz IESJCWOIFWESRD-QWRGUYRKSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110142 207249548 /nfs/dbraw/zinc/24/95/48/207249548.db2.gz IESJCWOIFWESRD-QWRGUYRKSA-N 1 1 307.354 1.183 20 5 DDBDMO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000269175281 207296665 /nfs/dbraw/zinc/29/66/65/207296665.db2.gz BMJWXEPDFSPFTO-KCJUWKMLSA-N 1 1 303.322 1.280 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352468814 285073204 /nfs/dbraw/zinc/07/32/04/285073204.db2.gz VBJDIYPMSQTOLY-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000120177638 195111760 /nfs/dbraw/zinc/11/17/60/195111760.db2.gz QXMPJEHRCLPCLP-UHFFFAOYSA-N 1 1 318.337 1.120 20 5 DDBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000288629308 220303533 /nfs/dbraw/zinc/30/35/33/220303533.db2.gz SKVXXMAYMJRCQB-QPUJVOFHSA-N 1 1 318.782 1.771 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000157019864 197156301 /nfs/dbraw/zinc/15/63/01/197156301.db2.gz PBCGEQMXEZFIFI-TZMCWYRMSA-N 1 1 318.377 1.733 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352657689 285201763 /nfs/dbraw/zinc/20/17/63/285201763.db2.gz BYTRMFTTXVUSFK-KBPBESRZSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000120824618 195244959 /nfs/dbraw/zinc/24/49/59/195244959.db2.gz ISKSAPBSEQVQAI-LLVKDONJSA-N 1 1 322.365 1.546 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1cc(C)c([N+](=O)[O-])cn1)C(C)C ZINC000294970200 224349224 /nfs/dbraw/zinc/34/92/24/224349224.db2.gz NZOCSNJWYBKSFW-AWEZNQCLSA-N 1 1 324.381 1.887 20 5 DDBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000121050512 195287717 /nfs/dbraw/zinc/28/77/17/195287717.db2.gz XZNJMDSYPGPRAK-JTQLQIEISA-N 1 1 316.379 1.516 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000121122169 195295937 /nfs/dbraw/zinc/29/59/37/195295937.db2.gz IIBRPTDJDUMYMC-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000360985588 299787577 /nfs/dbraw/zinc/78/75/77/299787577.db2.gz PGQIZOMNZUFCKT-CYBMUJFWSA-N 1 1 323.397 1.278 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000073991418 406898166 /nfs/dbraw/zinc/89/81/66/406898166.db2.gz WHVJUKOBDKNFMQ-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000073991418 406898169 /nfs/dbraw/zinc/89/81/69/406898169.db2.gz WHVJUKOBDKNFMQ-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000073991418 406898170 /nfs/dbraw/zinc/89/81/70/406898170.db2.gz WHVJUKOBDKNFMQ-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000026450232 406904824 /nfs/dbraw/zinc/90/48/24/406904824.db2.gz JOJYPJAYVTVHJL-UHFFFAOYSA-N 1 1 309.366 1.798 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000090458479 407166982 /nfs/dbraw/zinc/16/69/82/407166982.db2.gz AZIPGFODBMBENO-HUUCEWRRSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000090458479 407166985 /nfs/dbraw/zinc/16/69/85/407166985.db2.gz AZIPGFODBMBENO-HUUCEWRRSA-N 1 1 319.361 1.578 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000123246790 407323782 /nfs/dbraw/zinc/32/37/82/407323782.db2.gz WHTUENXVUYFUOZ-NEPJUHHUSA-N 1 1 323.397 1.468 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C)CC1 ZINC000102677328 407325836 /nfs/dbraw/zinc/32/58/36/407325836.db2.gz YVWFRDTVOUYCNB-NSHDSACASA-N 1 1 317.349 1.953 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271357146 407649656 /nfs/dbraw/zinc/64/96/56/407649656.db2.gz FVTFYVODFCOMRK-GFCCVEGCSA-N 1 1 323.397 1.426 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000171402375 407678526 /nfs/dbraw/zinc/67/85/26/407678526.db2.gz GPXQTIALDHCBTF-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000171402375 407678533 /nfs/dbraw/zinc/67/85/33/407678533.db2.gz GPXQTIALDHCBTF-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000186715202 407752725 /nfs/dbraw/zinc/75/27/25/407752725.db2.gz YVNFKNOKBXMHBN-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171651752 407733322 /nfs/dbraw/zinc/73/33/22/407733322.db2.gz KFYBSRSFPXVESE-NSHDSACASA-N 1 1 313.379 1.185 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000171756289 407762403 /nfs/dbraw/zinc/76/24/03/407762403.db2.gz XRYWMKUHTBHVAU-ZDUSSCGKSA-N 1 1 306.366 1.736 20 5 DDBDMO COCC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117336216 407830509 /nfs/dbraw/zinc/83/05/09/407830509.db2.gz WLGFQWUZOHLDAX-UHFFFAOYSA-N 1 1 309.322 1.471 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187681835 407876277 /nfs/dbraw/zinc/87/62/77/407876277.db2.gz GAVVBQOOGJOHDK-KGLIPLIRSA-N 1 1 307.394 1.963 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118107033 407891118 /nfs/dbraw/zinc/89/11/18/407891118.db2.gz KIBXOIJXNGMCCE-GFCCVEGCSA-N 1 1 320.349 1.052 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000153770678 407897830 /nfs/dbraw/zinc/89/78/30/407897830.db2.gz RGUCPRBJQNBCNY-ZDUSSCGKSA-N 1 1 323.397 1.288 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153784860 407900419 /nfs/dbraw/zinc/90/04/19/407900419.db2.gz WDIVRPSSFFXETD-BBRMVZONSA-N 1 1 321.377 1.476 20 5 DDBDMO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262878594 407960740 /nfs/dbraw/zinc/96/07/40/407960740.db2.gz VRYIFOJOOFWTRW-KWQFWETISA-N 1 1 303.322 1.199 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000174845265 407994328 /nfs/dbraw/zinc/99/43/28/407994328.db2.gz QPMDJVUSLADMBZ-UHFFFAOYSA-N 1 1 307.398 1.599 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601489 408000131 /nfs/dbraw/zinc/00/01/31/408000131.db2.gz HERRHLAHXCIDNP-SKDRFNHKSA-N 1 1 304.350 1.390 20 5 DDBDMO Cc1c(C[NH+]2CCN(c3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000174906556 408003680 /nfs/dbraw/zinc/00/36/80/408003680.db2.gz CFFPGHYWKYNWPP-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273121060 408064116 /nfs/dbraw/zinc/06/41/16/408064116.db2.gz HMMOILAFVIHNSM-MBNYWOFBSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000245764861 408064224 /nfs/dbraw/zinc/06/42/24/408064224.db2.gz JEZKNLTWQLCCKI-NXEZZACHSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000245764861 408064229 /nfs/dbraw/zinc/06/42/29/408064229.db2.gz JEZKNLTWQLCCKI-NXEZZACHSA-N 1 1 311.338 1.243 20 5 DDBDMO COC(=O)c1cc(N2CCC[N@@H+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268518329 408081237 /nfs/dbraw/zinc/08/12/37/408081237.db2.gz ZBQQDHXYAGQEQN-UHFFFAOYSA-N 1 1 307.350 1.832 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000154833232 408091141 /nfs/dbraw/zinc/09/11/41/408091141.db2.gz QYKAKFJFIFGRCA-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119581599 408099534 /nfs/dbraw/zinc/09/95/34/408099534.db2.gz VLMKQDMUEHLALU-ZDUSSCGKSA-N 1 1 323.397 1.276 20 5 DDBDMO CC(C)[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000155604293 408185650 /nfs/dbraw/zinc/18/56/50/408185650.db2.gz HYSNCUWWFBGOFT-UHFFFAOYSA-N 1 1 319.358 1.352 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000155604293 408185655 /nfs/dbraw/zinc/18/56/55/408185655.db2.gz HYSNCUWWFBGOFT-UHFFFAOYSA-N 1 1 319.358 1.352 20 5 DDBDMO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000151100592 408255307 /nfs/dbraw/zinc/25/53/07/408255307.db2.gz YPRSQQCYOKACRS-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[NH+](C)C1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000273610056 408263533 /nfs/dbraw/zinc/26/35/33/408263533.db2.gz TWIZKMUKRPYRKQ-UHFFFAOYSA-N 1 1 319.770 1.183 20 5 DDBDMO CC[N@@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263739977 408235956 /nfs/dbraw/zinc/23/59/56/408235956.db2.gz OHBKVVRMCCAVGW-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488370 408326666 /nfs/dbraw/zinc/32/66/66/408326666.db2.gz YCYXKXZYWNMJAA-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488370 408326669 /nfs/dbraw/zinc/32/66/69/408326669.db2.gz YCYXKXZYWNMJAA-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190851721 408330580 /nfs/dbraw/zinc/33/05/80/408330580.db2.gz CPMRGUWYRXHPAV-NEPJUHHUSA-N 1 1 307.350 1.118 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000269330932 408270509 /nfs/dbraw/zinc/27/05/09/408270509.db2.gz AFWMUINFLLNOMD-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CN1CC[NH+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269349992 408279113 /nfs/dbraw/zinc/27/91/13/408279113.db2.gz FUAHLOUBCRSUJP-UHFFFAOYSA-N 1 1 313.789 1.693 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246641601 408310267 /nfs/dbraw/zinc/31/02/67/408310267.db2.gz FRZJXCDJLKYKBR-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000246810256 408344633 /nfs/dbraw/zinc/34/46/33/408344633.db2.gz DGQAWKPSBNGHOA-ZYHUDNBSSA-N 1 1 306.366 1.636 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269686489 408391688 /nfs/dbraw/zinc/39/16/88/408391688.db2.gz JDZLSORYWPVDCD-UHFFFAOYSA-N 1 1 302.334 1.767 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274466379 408415299 /nfs/dbraw/zinc/41/52/99/408415299.db2.gz KRKSQUOFAIIPAE-LBPRGKRZSA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)[N@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177035275 408502526 /nfs/dbraw/zinc/50/25/26/408502526.db2.gz BYYNIGXZVICNKV-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CC(C)[N@@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177035275 408502528 /nfs/dbraw/zinc/50/25/28/408502528.db2.gz BYYNIGXZVICNKV-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270361299 408502565 /nfs/dbraw/zinc/50/25/65/408502565.db2.gz JEOCTXZMSQMBLA-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000248374872 408553033 /nfs/dbraw/zinc/55/30/33/408553033.db2.gz USQXRHZWBVNUCK-KBPBESRZSA-N 1 1 321.377 1.115 20 5 DDBDMO CC1(C)[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000248450626 408569325 /nfs/dbraw/zinc/56/93/25/408569325.db2.gz IRFXERZWUUJQAI-UPJWGTAASA-N 1 1 306.362 1.922 20 5 DDBDMO Nc1ccc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000264598925 408541200 /nfs/dbraw/zinc/54/12/00/408541200.db2.gz AWDLCDVOWKXWDB-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270748579 408663772 /nfs/dbraw/zinc/66/37/72/408663772.db2.gz IBOXBPLCIMFWFE-TXEJJXNPSA-N 1 1 323.397 1.426 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249541356 408738998 /nfs/dbraw/zinc/73/89/98/408738998.db2.gz DZQTUDSYOUPWEN-IUODEOHRSA-N 1 1 321.377 1.950 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249601784 408748745 /nfs/dbraw/zinc/74/87/45/408748745.db2.gz YNTVMQWAUQGVFC-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249601784 408748747 /nfs/dbraw/zinc/74/87/47/408748747.db2.gz YNTVMQWAUQGVFC-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@]1(O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000178025283 408759652 /nfs/dbraw/zinc/75/96/52/408759652.db2.gz XXYVXOHCOWLMPD-AWEZNQCLSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@]1(O)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000178025283 408759655 /nfs/dbraw/zinc/75/96/55/408759655.db2.gz XXYVXOHCOWLMPD-AWEZNQCLSA-N 1 1 304.306 1.602 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccco1 ZINC000178148417 408781190 /nfs/dbraw/zinc/78/11/90/408781190.db2.gz VPPSDFZYAUNMST-LBPRGKRZSA-N 1 1 318.333 1.803 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276134220 408822232 /nfs/dbraw/zinc/82/22/32/408822232.db2.gz BQFQEEXKUPHLOA-SNVBAGLBSA-N 1 1 313.379 1.362 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277343462 408922973 /nfs/dbraw/zinc/92/29/73/408922973.db2.gz BDMHSISYKDYSSX-CYBMUJFWSA-N 1 1 321.377 1.826 20 5 DDBDMO CN1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000191131572 163173548 /nfs/dbraw/zinc/17/35/48/163173548.db2.gz AJRBNTFULCVKES-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO CN1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000191131572 163173550 /nfs/dbraw/zinc/17/35/50/163173550.db2.gz AJRBNTFULCVKES-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191482912 163188888 /nfs/dbraw/zinc/18/88/88/163188888.db2.gz SSDLEKAQTBOUDK-OAHLLOKOSA-N 1 1 318.377 1.981 20 5 DDBDMO COC(=O)CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193842874 163269590 /nfs/dbraw/zinc/26/95/90/163269590.db2.gz FENGECKBHAWVIH-UHFFFAOYSA-N 1 1 323.349 1.094 20 5 DDBDMO COC(=O)CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193842874 163269593 /nfs/dbraw/zinc/26/95/93/163269593.db2.gz FENGECKBHAWVIH-UHFFFAOYSA-N 1 1 323.349 1.094 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989438 409002965 /nfs/dbraw/zinc/00/29/65/409002965.db2.gz GXVHQJYVZHKGAX-GHMZBOCLSA-N 1 1 307.354 1.325 20 5 DDBDMO CCNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000293301618 409085863 /nfs/dbraw/zinc/08/58/63/409085863.db2.gz POHWZVSTPPTBOQ-AWEZNQCLSA-N 1 1 322.365 1.284 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000293861864 409196099 /nfs/dbraw/zinc/19/60/99/409196099.db2.gz KQOLGHFJYFBELY-OAHLLOKOSA-N 1 1 304.350 1.345 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000279153278 409160406 /nfs/dbraw/zinc/16/04/06/409160406.db2.gz FLDXVQMFTSEHAC-UHFFFAOYSA-N 1 1 322.340 1.484 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)[N@H+]1C ZINC000294000491 409222593 /nfs/dbraw/zinc/22/25/93/409222593.db2.gz OUEGRYGCYHKLEH-TXEJJXNPSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)[N@@H+]1C ZINC000294000491 409222597 /nfs/dbraw/zinc/22/25/97/409222597.db2.gz OUEGRYGCYHKLEH-TXEJJXNPSA-N 1 1 320.393 1.825 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)NCC(F)F ZINC000280370992 409300002 /nfs/dbraw/zinc/30/00/02/409300002.db2.gz USXKWWMJCWFFQO-UHFFFAOYSA-N 1 1 317.292 1.464 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000294908298 409306548 /nfs/dbraw/zinc/30/65/48/409306548.db2.gz SCBNOVICCTYEFS-JTQLQIEISA-N 1 1 324.356 1.624 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422416 409309757 /nfs/dbraw/zinc/30/97/57/409309757.db2.gz LYDYQVQSSKOKNT-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422416 409309759 /nfs/dbraw/zinc/30/97/59/409309759.db2.gz LYDYQVQSSKOKNT-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]([N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295225032 409386039 /nfs/dbraw/zinc/38/60/39/409386039.db2.gz WCUYLEZGANTFAM-LLVKDONJSA-N 1 1 309.366 1.649 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176790 409403212 /nfs/dbraw/zinc/40/32/12/409403212.db2.gz BLASBPBJJFAWBI-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000295304706 409424218 /nfs/dbraw/zinc/42/42/18/409424218.db2.gz BGBLOPFIFJZDIP-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000290537584 409435951 /nfs/dbraw/zinc/43/59/51/409435951.db2.gz DTQIQFVJXBSAIV-INIZCTEOSA-N 1 1 316.361 1.913 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000280751904 409438865 /nfs/dbraw/zinc/43/88/65/409438865.db2.gz NJSKHLWOVPVUHQ-CQSZACIVSA-N 1 1 304.306 1.433 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295339791 409443134 /nfs/dbraw/zinc/44/31/34/409443134.db2.gz DPDKKVZKOWWJOO-GFCCVEGCSA-N 1 1 307.350 1.171 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000408068535 164215624 /nfs/dbraw/zinc/21/56/24/164215624.db2.gz IONRIVIXBLOTBE-GRYCIOLGSA-N 1 1 321.381 1.795 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303040567 409525435 /nfs/dbraw/zinc/52/54/35/409525435.db2.gz NLZMPNDHFPSUKG-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000354439058 409854951 /nfs/dbraw/zinc/85/49/51/409854951.db2.gz UXKSYRABUQQWQD-NEPJUHHUSA-N 1 1 308.382 1.878 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357058329 409829334 /nfs/dbraw/zinc/82/93/34/409829334.db2.gz ZTVGJOZOXNFDBN-NSHDSACASA-N 1 1 309.370 1.132 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332114507 409896983 /nfs/dbraw/zinc/89/69/83/409896983.db2.gz WTQIKLZOJNIETN-OAHLLOKOSA-N 1 1 318.377 1.627 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339393323 410152555 /nfs/dbraw/zinc/15/25/55/410152555.db2.gz FOCNWHNXAFSCCW-SJORKVTESA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000351753340 410210981 /nfs/dbraw/zinc/21/09/81/410210981.db2.gz FDSJLQOFXHIFOL-BDAKNGLRSA-N 1 1 303.322 1.280 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000298363002 410195839 /nfs/dbraw/zinc/19/58/39/410195839.db2.gz NCOUHVGNZLLPPL-UHFFFAOYSA-N 1 1 308.338 1.119 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343444143 410458832 /nfs/dbraw/zinc/45/88/32/410458832.db2.gz BACASZCRRBFRGP-CMPLNLGQSA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459879 410469925 /nfs/dbraw/zinc/46/99/25/410469925.db2.gz WTJNRUXNCSIALK-AAEUAGOBSA-N 1 1 323.397 1.397 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000343415858 410432143 /nfs/dbraw/zinc/43/21/43/410432143.db2.gz LPVLZNPDNXGZJM-VNHYZAJKSA-N 1 1 324.377 1.427 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000299101133 410521800 /nfs/dbraw/zinc/52/18/00/410521800.db2.gz ZPXWNKGSSDBAKB-KGLIPLIRSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1[nH]nc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000355477354 410537563 /nfs/dbraw/zinc/53/75/63/410537563.db2.gz SWSDFNUHNJEKLJ-UHFFFAOYSA-N 1 1 300.278 1.835 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000334042895 410627002 /nfs/dbraw/zinc/62/70/02/410627002.db2.gz ZJOOVADPLCQLMS-MNOVXSKESA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1cc(C)n(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347778390 410714038 /nfs/dbraw/zinc/71/40/38/410714038.db2.gz CROPJKPKZPWFGC-UHFFFAOYSA-N 1 1 301.350 1.861 20 5 DDBDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343807242 410716474 /nfs/dbraw/zinc/71/64/74/410716474.db2.gz TURNZJDZRXJHQL-NWDGAFQWSA-N 1 1 323.397 1.948 20 5 DDBDMO Cn1c(C(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000330529165 410751927 /nfs/dbraw/zinc/75/19/27/410751927.db2.gz QUDLHIZSIUCCAF-UHFFFAOYSA-N 1 1 308.382 1.928 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000337409950 410763172 /nfs/dbraw/zinc/76/31/72/410763172.db2.gz LCCGQADXXQZTFB-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CN(C)c1cc[nH+]c(NCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000301746059 410788021 /nfs/dbraw/zinc/78/80/21/410788021.db2.gz XTAXYJVZWRBSOC-UHFFFAOYSA-N 1 1 302.338 1.975 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000330610470 410824971 /nfs/dbraw/zinc/82/49/71/410824971.db2.gz UPEOCZUUGXPFHJ-UHFFFAOYSA-N 1 1 321.381 1.726 20 5 DDBDMO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000330610470 410824989 /nfs/dbraw/zinc/82/49/89/410824989.db2.gz UPEOCZUUGXPFHJ-UHFFFAOYSA-N 1 1 321.381 1.726 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000330610470 410824995 /nfs/dbraw/zinc/82/49/95/410824995.db2.gz UPEOCZUUGXPFHJ-UHFFFAOYSA-N 1 1 321.381 1.726 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330618869 410833572 /nfs/dbraw/zinc/83/35/72/410833572.db2.gz YUJMBMKAWQWJLW-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330618869 410833577 /nfs/dbraw/zinc/83/35/77/410833577.db2.gz YUJMBMKAWQWJLW-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330661461 410860500 /nfs/dbraw/zinc/86/05/00/410860500.db2.gz CJULUEGOVDQBKA-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344055660 410923954 /nfs/dbraw/zinc/92/39/54/410923954.db2.gz KUSVPNXLTQARLO-FDRIWYBQSA-N 1 1 319.361 1.625 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000356294371 410950791 /nfs/dbraw/zinc/95/07/91/410950791.db2.gz SJMWREFAEPGLKD-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322453 226113818 /nfs/dbraw/zinc/11/38/18/226113818.db2.gz HKDGQTWFYUWDMQ-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933609 418474569 /nfs/dbraw/zinc/47/45/69/418474569.db2.gz MPPRPDAPADBXQF-HUUCEWRRSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933609 418474571 /nfs/dbraw/zinc/47/45/71/418474571.db2.gz MPPRPDAPADBXQF-HUUCEWRRSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933609 418474572 /nfs/dbraw/zinc/47/45/72/418474572.db2.gz MPPRPDAPADBXQF-HUUCEWRRSA-N 1 1 303.362 1.386 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029340 418569250 /nfs/dbraw/zinc/56/92/50/418569250.db2.gz AOUGICQIIVVVPA-GFCCVEGCSA-N 1 1 305.382 1.570 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029340 418569253 /nfs/dbraw/zinc/56/92/53/418569253.db2.gz AOUGICQIIVVVPA-GFCCVEGCSA-N 1 1 305.382 1.570 20 5 DDBDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044807 418572098 /nfs/dbraw/zinc/57/20/98/418572098.db2.gz JPOHSSPNVXSZEB-SMDDNHRTSA-N 1 1 302.334 1.729 20 5 DDBDMO CC(C)C[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000367146275 418563834 /nfs/dbraw/zinc/56/38/34/418563834.db2.gz ATIJBDIQDRTQCJ-UHFFFAOYSA-N 1 1 322.409 1.420 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000191633139 222106411 /nfs/dbraw/zinc/10/64/11/222106411.db2.gz TWCQAYSQYPHLMQ-MNOVXSKESA-N 1 1 309.370 1.366 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@H+]1CCCOCC1)CC2 ZINC000361313272 418623988 /nfs/dbraw/zinc/62/39/88/418623988.db2.gz IICJEUFLZJOTKW-UHFFFAOYSA-N 1 1 305.378 1.675 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000361557811 418677768 /nfs/dbraw/zinc/67/77/68/418677768.db2.gz STQVQNFRGDYRLD-HNNXBMFYSA-N 1 1 308.382 1.664 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1)C1CC1 ZINC000389805275 418751411 /nfs/dbraw/zinc/75/14/11/418751411.db2.gz LECDEPQVKUTNJB-UHFFFAOYSA-N 1 1 306.366 1.851 20 5 DDBDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000372125447 418838438 /nfs/dbraw/zinc/83/84/38/418838438.db2.gz KBCVMYVNGCFKNW-DFBGVHRSSA-N 1 1 318.377 1.388 20 5 DDBDMO NC(=O)c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000372945098 418915237 /nfs/dbraw/zinc/91/52/37/418915237.db2.gz CXYOELFSFUQRHN-GFCCVEGCSA-N 1 1 304.350 1.368 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745434 419396208 /nfs/dbraw/zinc/39/62/08/419396208.db2.gz MFXWUPZIRWMTAL-ZDUSSCGKSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656133 419372649 /nfs/dbraw/zinc/37/26/49/419372649.db2.gz PJPSQIHSGCPQHB-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000299262766 229014268 /nfs/dbraw/zinc/01/42/68/229014268.db2.gz HDUTYEPVCRTIJZ-QWHCGFSZSA-N 1 1 323.397 1.418 20 5 DDBDMO C[C@]12CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000428711734 419919316 /nfs/dbraw/zinc/91/93/16/419919316.db2.gz LWUXKMKWCJRREG-UTUOFQBUSA-N 1 1 316.308 1.129 20 5 DDBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794233 420049058 /nfs/dbraw/zinc/04/90/58/420049058.db2.gz WTQKGLWUFBGJIV-SMDDNHRTSA-N 1 1 321.377 1.677 20 5 DDBDMO COc1ccc(OCCN(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430577529 420142764 /nfs/dbraw/zinc/14/27/64/420142764.db2.gz NYNXBNWTVYWHCY-UHFFFAOYSA-N 1 1 311.382 1.899 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)CN)c([N+](=O)[O-])c1 ZINC000420293665 420187084 /nfs/dbraw/zinc/18/70/84/420187084.db2.gz ROGZOCVIYXAGRO-SNVBAGLBSA-N 1 1 310.354 1.211 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)CN)c([N+](=O)[O-])c1 ZINC000420293665 420187088 /nfs/dbraw/zinc/18/70/88/420187088.db2.gz ROGZOCVIYXAGRO-SNVBAGLBSA-N 1 1 310.354 1.211 20 5 DDBDMO COc1ccc(NC(=O)CCN(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420330719 420214144 /nfs/dbraw/zinc/21/41/44/420214144.db2.gz LRNYUDQUKGAUPA-UHFFFAOYSA-N 1 1 322.365 1.354 20 5 DDBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000423943198 420277965 /nfs/dbraw/zinc/27/79/65/420277965.db2.gz CAYNHFAAAYHUDT-UHFFFAOYSA-N 1 1 322.365 1.134 20 5 DDBDMO Cn1c[nH+]cc1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000302149443 230126505 /nfs/dbraw/zinc/12/65/05/230126505.db2.gz SSGWYHZZTNWXRN-UHFFFAOYSA-N 1 1 324.362 1.386 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000302368098 230224504 /nfs/dbraw/zinc/22/45/04/230224504.db2.gz DSIOHCGWYDUATR-GFCCVEGCSA-N 1 1 309.366 1.244 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439358395 420508598 /nfs/dbraw/zinc/50/85/98/420508598.db2.gz XXWWRZQHSXMRGG-LLVKDONJSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068433 420620398 /nfs/dbraw/zinc/62/03/98/420620398.db2.gz NYJKOKVLTPWQKH-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452068836 420621334 /nfs/dbraw/zinc/62/13/34/420621334.db2.gz PEASLJKCXMQBOJ-GWCFXTLKSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452068836 420621336 /nfs/dbraw/zinc/62/13/36/420621336.db2.gz PEASLJKCXMQBOJ-GWCFXTLKSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493046672 420742689 /nfs/dbraw/zinc/74/26/89/420742689.db2.gz KJVNOAOTUOMQJW-IYKSTZQJSA-N 1 1 307.325 1.768 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000444830511 420760359 /nfs/dbraw/zinc/76/03/59/420760359.db2.gz WNTPDWJZGCATNH-CHWSQXEVSA-N 1 1 308.382 1.498 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657474 421049358 /nfs/dbraw/zinc/04/93/58/421049358.db2.gz MFEZJUZEXLUVAZ-QWRGUYRKSA-N 1 1 319.365 1.340 20 5 DDBDMO O=C1OCC[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494132448 420996854 /nfs/dbraw/zinc/99/68/54/420996854.db2.gz JAWKBAMGGVDGOQ-AWEZNQCLSA-N 1 1 305.334 1.664 20 5 DDBDMO O=C1OCC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494132448 420996856 /nfs/dbraw/zinc/99/68/56/420996856.db2.gz JAWKBAMGGVDGOQ-AWEZNQCLSA-N 1 1 305.334 1.664 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487071804 421002182 /nfs/dbraw/zinc/00/21/82/421002182.db2.gz BPLWRDVXBHNDMZ-HNNXBMFYSA-N 1 1 320.393 1.731 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524590596 421262898 /nfs/dbraw/zinc/26/28/98/421262898.db2.gz MERNYVKTGRQZOY-GFCCVEGCSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000524783284 421272830 /nfs/dbraw/zinc/27/28/30/421272830.db2.gz FTGMFNKPELCJOC-DGCLKSJQSA-N 1 1 306.366 1.877 20 5 DDBDMO Cc1cc(N(C)S(=O)(=O)c2cccnc2[N+](=O)[O-])cc[nH+]1 ZINC000547331108 421323097 /nfs/dbraw/zinc/32/30/97/421323097.db2.gz QVSZYAMNRVHRNQ-UHFFFAOYSA-N 1 1 308.319 1.518 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548442487 421439738 /nfs/dbraw/zinc/43/97/38/421439738.db2.gz AIPCYKFBIHBBSO-HNNXBMFYSA-N 1 1 308.334 1.267 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548442487 421439740 /nfs/dbraw/zinc/43/97/40/421439740.db2.gz AIPCYKFBIHBBSO-HNNXBMFYSA-N 1 1 308.334 1.267 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641937 421441380 /nfs/dbraw/zinc/44/13/80/421441380.db2.gz RHHHKVXYMYQRGN-OLZOCXBDSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641937 421441382 /nfs/dbraw/zinc/44/13/82/421441382.db2.gz RHHHKVXYMYQRGN-OLZOCXBDSA-N 1 1 321.377 1.223 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517456855 421614856 /nfs/dbraw/zinc/61/48/56/421614856.db2.gz AROHNCIZNBEXQR-JTQLQIEISA-N 1 1 321.333 1.395 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000518772206 421667407 /nfs/dbraw/zinc/66/74/07/421667407.db2.gz ZYNLXLMVKZXSSG-VXGBXAGGSA-N 1 1 308.382 1.784 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000520164644 421738487 /nfs/dbraw/zinc/73/84/87/421738487.db2.gz YXZLVSKWTMVQGJ-UHFFFAOYSA-N 1 1 322.365 1.642 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572760743 421857158 /nfs/dbraw/zinc/85/71/58/421857158.db2.gz YIIPZJHKEQOMKG-OAHLLOKOSA-N 1 1 316.361 1.829 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276184962 274266776 /nfs/dbraw/zinc/26/67/76/274266776.db2.gz KUUOSNRVLYCABC-VHSXEESVSA-N 1 1 302.758 1.812 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000181957023 263371588 /nfs/dbraw/zinc/37/15/88/263371588.db2.gz VLNAJDIMKOYKAO-STQMWFEESA-N 1 1 310.350 1.303 20 5 DDBDMO CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000342283350 271366460 /nfs/dbraw/zinc/36/64/60/271366460.db2.gz QVXIHJKLOCDFST-MEDUHNTESA-N 1 1 321.377 1.975 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344650266 272079652 /nfs/dbraw/zinc/07/96/52/272079652.db2.gz WSCPQTMEOUJZFR-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO COCC[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301459389 274030710 /nfs/dbraw/zinc/03/07/10/274030710.db2.gz YGCGEIYYNKIBFV-UHFFFAOYSA-N 1 1 313.329 1.511 20 5 DDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000193567014 274305400 /nfs/dbraw/zinc/30/54/00/274305400.db2.gz CHLSMWBPIZPQFM-RNCFNFMXSA-N 1 1 321.333 1.076 20 5 DDBDMO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423017458 276289991 /nfs/dbraw/zinc/28/99/91/276289991.db2.gz ORDBLJNXCCSDEL-ZKYQVNSYSA-N 1 1 307.350 1.539 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000301285353 277053738 /nfs/dbraw/zinc/05/37/38/277053738.db2.gz LNMLZXQKTZWBOO-CYBMUJFWSA-N 1 1 322.384 1.950 20 5 DDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286281620 297266557 /nfs/dbraw/zinc/26/65/57/297266557.db2.gz IBWNSJVEFAXPOF-DGCLKSJQSA-N 1 1 306.366 1.476 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000362804441 300145119 /nfs/dbraw/zinc/14/51/19/300145119.db2.gz FLZNSQKZLGNWCZ-TVQRCGJNSA-N 1 1 321.333 1.518 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000363395151 300261865 /nfs/dbraw/zinc/26/18/65/300261865.db2.gz HUFOSTVISIAWJY-UHFFFAOYSA-N 1 1 317.349 1.639 20 5 DDBDMO CC[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000363395151 300261869 /nfs/dbraw/zinc/26/18/69/300261869.db2.gz HUFOSTVISIAWJY-UHFFFAOYSA-N 1 1 317.349 1.639 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000363395151 300261871 /nfs/dbraw/zinc/26/18/71/300261871.db2.gz HUFOSTVISIAWJY-UHFFFAOYSA-N 1 1 317.349 1.639 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364082711 300341922 /nfs/dbraw/zinc/34/19/22/300341922.db2.gz JVISESNRMSOMRT-OLZOCXBDSA-N 1 1 318.377 1.750 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368007799 300932210 /nfs/dbraw/zinc/93/22/10/300932210.db2.gz RKVPVNNLSWOUKY-LLVKDONJSA-N 1 1 315.276 1.039 20 5 DDBDMO COc1cc(N2CCC[N@@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368722233 301081265 /nfs/dbraw/zinc/08/12/65/301081265.db2.gz NZTULLULPGOPOZ-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818581 301092482 /nfs/dbraw/zinc/09/24/82/301092482.db2.gz UIKMNBHQDOIQGO-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370215045 301296064 /nfs/dbraw/zinc/29/60/64/301296064.db2.gz JIUGHIHINDJBTI-DTZQCDIJSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370215045 301296067 /nfs/dbraw/zinc/29/60/67/301296067.db2.gz JIUGHIHINDJBTI-DTZQCDIJSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370215045 301296069 /nfs/dbraw/zinc/29/60/69/301296069.db2.gz JIUGHIHINDJBTI-DTZQCDIJSA-N 1 1 317.389 1.821 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465579 301344523 /nfs/dbraw/zinc/34/45/23/301344523.db2.gz TWVADDFRNRVSHC-NEPJUHHUSA-N 1 1 323.324 1.327 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742306 302361793 /nfs/dbraw/zinc/36/17/93/302361793.db2.gz WSYVZWMTDHNUPR-QWRGUYRKSA-N 1 1 307.350 1.144 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000530905035 303220085 /nfs/dbraw/zinc/22/00/85/303220085.db2.gz KWOWICGQEKQCFN-SNVBAGLBSA-N 1 1 322.287 1.835 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)n1 ZINC000530905035 303220086 /nfs/dbraw/zinc/22/00/86/303220086.db2.gz KWOWICGQEKQCFN-SNVBAGLBSA-N 1 1 322.287 1.835 20 5 DDBDMO COc1cc(C[NH2+]C(C)(C)C(=O)N(C)C)c([N+](=O)[O-])cc1F ZINC000545223247 303485078 /nfs/dbraw/zinc/48/50/78/303485078.db2.gz RJESOLOTEIMDFW-UHFFFAOYSA-N 1 1 313.329 1.699 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)N(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000364640286 307049050 /nfs/dbraw/zinc/04/90/50/307049050.db2.gz GUWOKQXTUSYDKQ-GASCZTMLSA-N 1 1 303.362 1.821 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]CC1 ZINC000364643462 307049380 /nfs/dbraw/zinc/04/93/80/307049380.db2.gz VWMWPULNOURMIP-SNVBAGLBSA-N 1 1 317.349 1.685 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000368615217 307106474 /nfs/dbraw/zinc/10/64/74/307106474.db2.gz UBACVBSOXWMGML-DCAQKATOSA-N 1 1 321.381 1.470 20 5 DDBDMO Cc1nc(N2CCC[N@@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368724224 307108753 /nfs/dbraw/zinc/10/87/53/307108753.db2.gz ZBSFHLWUFLBOLE-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000370647397 307131668 /nfs/dbraw/zinc/13/16/68/307131668.db2.gz HABNVASFWVSKEK-ZDUSSCGKSA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000370647397 307131669 /nfs/dbraw/zinc/13/16/69/307131669.db2.gz HABNVASFWVSKEK-ZDUSSCGKSA-N 1 1 321.381 1.304 20 5 DDBDMO CN1C[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373242925 307182069 /nfs/dbraw/zinc/18/20/69/307182069.db2.gz MMCUXCQNVHFRSK-AWEZNQCLSA-N 1 1 304.350 1.189 20 5 DDBDMO CN1C[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373242925 307182070 /nfs/dbraw/zinc/18/20/70/307182070.db2.gz MMCUXCQNVHFRSK-AWEZNQCLSA-N 1 1 304.350 1.189 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000376643033 307251225 /nfs/dbraw/zinc/25/12/25/307251225.db2.gz MSTRXQXZQSUFFX-RISCZKNCSA-N 1 1 304.350 1.464 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377647623 307275620 /nfs/dbraw/zinc/27/56/20/307275620.db2.gz FSEYZLZFOIDPIT-ZYHUDNBSSA-N 1 1 320.305 1.071 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377647623 307275621 /nfs/dbraw/zinc/27/56/21/307275621.db2.gz FSEYZLZFOIDPIT-ZYHUDNBSSA-N 1 1 320.305 1.071 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000378490000 307289460 /nfs/dbraw/zinc/28/94/60/307289460.db2.gz CEJKPQKVTXHWNH-RISCZKNCSA-N 1 1 304.350 1.464 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000574228352 308266041 /nfs/dbraw/zinc/26/60/41/308266041.db2.gz ZBXWQMNEJKGHPQ-WFASDCNBSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000574228352 308266042 /nfs/dbraw/zinc/26/60/42/308266042.db2.gz ZBXWQMNEJKGHPQ-WFASDCNBSA-N 1 1 324.377 1.557 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577437248 308387819 /nfs/dbraw/zinc/38/78/19/308387819.db2.gz NILBGSTYDIHPSV-ZDUSSCGKSA-N 1 1 323.393 1.783 20 5 DDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])CC2 ZINC000582742793 337128405 /nfs/dbraw/zinc/12/84/05/337128405.db2.gz MZEITVOIWYWCHF-CYBMUJFWSA-N 1 1 314.345 1.979 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ncccc1F ZINC000583079961 337236770 /nfs/dbraw/zinc/23/67/70/337236770.db2.gz SMQYPEGWUZEKEU-NSHDSACASA-N 1 1 321.308 1.658 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000295641932 533761923 /nfs/dbraw/zinc/76/19/23/533761923.db2.gz YNCGQDDXNPYBKN-LBPRGKRZSA-N 1 1 307.350 1.816 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419376547 534321916 /nfs/dbraw/zinc/32/19/16/534321916.db2.gz SDKSMQDYNPGRER-AWEZNQCLSA-N 1 1 323.418 1.974 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452130257 534338978 /nfs/dbraw/zinc/33/89/78/534338978.db2.gz NQOUYPBXCGVJHQ-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO [NH3+]C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000424032286 534548263 /nfs/dbraw/zinc/54/82/63/534548263.db2.gz COBXQXLVQUTWTA-UHFFFAOYSA-N 1 1 319.365 1.201 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451341750 534889026 /nfs/dbraw/zinc/88/90/26/534889026.db2.gz LQYRKOANRNAYGL-KFWWJZLASA-N 1 1 308.382 1.807 20 5 DDBDMO CCOc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000491606735 528260866 /nfs/dbraw/zinc/26/08/66/528260866.db2.gz IJGSDUAODRQTCX-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299391969 529025114 /nfs/dbraw/zinc/02/51/14/529025114.db2.gz RTAMYRHOPVVQDK-LLVKDONJSA-N 1 1 321.381 1.621 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C)C1 ZINC000736856697 599120083 /nfs/dbraw/zinc/12/00/83/599120083.db2.gz LZJVAEODYQMBCM-NSHDSACASA-N 1 1 317.353 1.305 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736324697 598420576 /nfs/dbraw/zinc/42/05/76/598420576.db2.gz HPRQLMWGUMSUQN-SNVBAGLBSA-N 1 1 319.369 1.917 20 5 DDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736537478 598500856 /nfs/dbraw/zinc/50/08/56/598500856.db2.gz TYCMRQYZGWWWHY-UHFFFAOYSA-N 1 1 318.341 1.066 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155591417 696950613 /nfs/dbraw/zinc/95/06/13/696950613.db2.gz DIFXFPSRAUGFEX-AOOOYVTPSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155591417 696950614 /nfs/dbraw/zinc/95/06/14/696950614.db2.gz DIFXFPSRAUGFEX-AOOOYVTPSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCC1CC1)C2 ZINC000982278563 697081882 /nfs/dbraw/zinc/08/18/82/697081882.db2.gz IWAZOFFTJNRGFI-SRABZTEZSA-N 1 1 321.421 1.622 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCC1CC1)C2 ZINC000982278563 697081884 /nfs/dbraw/zinc/08/18/84/697081884.db2.gz IWAZOFFTJNRGFI-SRABZTEZSA-N 1 1 321.421 1.622 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCC1CC1)C2 ZINC000982278563 697081886 /nfs/dbraw/zinc/08/18/86/697081886.db2.gz IWAZOFFTJNRGFI-SRABZTEZSA-N 1 1 321.421 1.622 20 5 DDBDMO COCCO[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000179333400 697436416 /nfs/dbraw/zinc/43/64/16/697436416.db2.gz SYZLMZACQIPKTC-HOTGVXAUSA-N 1 1 324.377 1.756 20 5 DDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271806 698090190 /nfs/dbraw/zinc/09/01/90/698090190.db2.gz HKHOOXMNMGWFGO-UKRRQHHQSA-N 1 1 322.361 1.903 20 5 DDBDMO C[N@@H+](CCc1cnccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599210 698125529 /nfs/dbraw/zinc/12/55/29/698125529.db2.gz XDFSXOWFLUABFD-HNNXBMFYSA-N 1 1 302.334 1.593 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000779219834 698403105 /nfs/dbraw/zinc/40/31/05/698403105.db2.gz LMTUFKRUSGXXKP-VIFPVBQESA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000779219834 698403107 /nfs/dbraw/zinc/40/31/07/698403107.db2.gz LMTUFKRUSGXXKP-VIFPVBQESA-N 1 1 307.306 1.100 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCOCC1 ZINC000750881866 700254006 /nfs/dbraw/zinc/25/40/06/700254006.db2.gz ODWBYDYUBMJDOW-UHFFFAOYSA-N 1 1 324.333 1.239 20 5 DDBDMO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786893829 699177306 /nfs/dbraw/zinc/17/73/06/699177306.db2.gz XKCGNMCHYNBHNW-CYBMUJFWSA-N 1 1 322.365 1.742 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794703008 699825372 /nfs/dbraw/zinc/82/53/72/699825372.db2.gz HALLPESKZSNYEL-AWEZNQCLSA-N 1 1 303.322 1.099 20 5 DDBDMO C[N@@H+](CCc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743849640 699929135 /nfs/dbraw/zinc/92/91/35/699929135.db2.gz YAPFSZUWGODOAL-CQSZACIVSA-N 1 1 322.340 1.466 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575373 699939807 /nfs/dbraw/zinc/93/98/07/699939807.db2.gz OILNKEAFOLEXGZ-TUKIKUTGSA-N 1 1 310.350 1.100 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385203 699947479 /nfs/dbraw/zinc/94/74/79/699947479.db2.gz MZKFFYHYVHAYNT-WFASDCNBSA-N 1 1 316.361 1.772 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000801886562 700350749 /nfs/dbraw/zinc/35/07/49/700350749.db2.gz CGFKTDKECKPRNX-JTQLQIEISA-N 1 1 322.340 1.530 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000801891053 700351284 /nfs/dbraw/zinc/35/12/84/700351284.db2.gz GNAYFLQWFZVQBI-JTQLQIEISA-N 1 1 322.340 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761077381 700840816 /nfs/dbraw/zinc/84/08/16/700840816.db2.gz RTSBDVIZGKKQQU-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC000765461401 701013933 /nfs/dbraw/zinc/01/39/33/701013933.db2.gz ABMLHTWCGHEQGL-CQSZACIVSA-N 1 1 320.393 1.989 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2CCO)cc1 ZINC000767586131 701118428 /nfs/dbraw/zinc/11/84/28/701118428.db2.gz FTPMPKFIQZOZHN-AWEZNQCLSA-N 1 1 310.350 1.447 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2CCO)cc1 ZINC000767586131 701118429 /nfs/dbraw/zinc/11/84/29/701118429.db2.gz FTPMPKFIQZOZHN-AWEZNQCLSA-N 1 1 310.350 1.447 20 5 DDBDMO COc1cc(C(=O)OCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000771943322 701337908 /nfs/dbraw/zinc/33/79/08/701337908.db2.gz LOUZORSLBCTNIP-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO COCCOCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808237213 701510409 /nfs/dbraw/zinc/51/04/09/701510409.db2.gz GUBDSZGXZWNIRL-UHFFFAOYSA-N 1 1 308.338 1.497 20 5 DDBDMO COCCOCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000808237213 701510410 /nfs/dbraw/zinc/51/04/10/701510410.db2.gz GUBDSZGXZWNIRL-UHFFFAOYSA-N 1 1 308.338 1.497 20 5 DDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568223 701738743 /nfs/dbraw/zinc/73/87/43/701738743.db2.gz OBYUGTCXURKAEV-ZGKBOVNRSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568223 701738746 /nfs/dbraw/zinc/73/87/46/701738746.db2.gz OBYUGTCXURKAEV-ZGKBOVNRSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568223 701738751 /nfs/dbraw/zinc/73/87/51/701738751.db2.gz OBYUGTCXURKAEV-ZGKBOVNRSA-N 1 1 303.362 1.603 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636468 701761562 /nfs/dbraw/zinc/76/15/62/701761562.db2.gz SPONLTJVRYZFJT-OCCSQVGLSA-N 1 1 307.350 1.038 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658319 701769142 /nfs/dbraw/zinc/76/91/42/701769142.db2.gz FAMHGQDRLDNQOP-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658319 701769145 /nfs/dbraw/zinc/76/91/45/701769145.db2.gz FAMHGQDRLDNQOP-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658319 701769147 /nfs/dbraw/zinc/76/91/47/701769147.db2.gz FAMHGQDRLDNQOP-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658319 701769149 /nfs/dbraw/zinc/76/91/49/701769149.db2.gz FAMHGQDRLDNQOP-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658319 701769152 /nfs/dbraw/zinc/76/91/52/701769152.db2.gz FAMHGQDRLDNQOP-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839683811 701782522 /nfs/dbraw/zinc/78/25/22/701782522.db2.gz PSKYWIGMEZPYDL-APHBMKBZSA-N 1 1 317.389 1.993 20 5 DDBDMO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+](C)C ZINC000839761212 701814361 /nfs/dbraw/zinc/81/43/61/701814361.db2.gz LYPMYJQNMIXRSA-MYPMTAMASA-N 1 1 305.378 1.768 20 5 DDBDMO Nc1ccc(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810850732 701861545 /nfs/dbraw/zinc/86/15/45/701861545.db2.gz NXBIWAGIPBWRCM-RYUDHWBXSA-N 1 1 305.334 1.961 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000812325283 702150688 /nfs/dbraw/zinc/15/06/88/702150688.db2.gz OSTGSBPDGSROGQ-OCCSQVGLSA-N 1 1 303.362 1.927 20 5 DDBDMO N[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841051026 702325413 /nfs/dbraw/zinc/32/54/13/702325413.db2.gz MSWDPBVLYZDAEM-INIZCTEOSA-N 1 1 304.394 1.891 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000842625255 702744737 /nfs/dbraw/zinc/74/47/37/702744737.db2.gz ICCVOQWSTPQTFV-RISCZKNCSA-N 1 1 317.349 1.716 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534845 706711580 /nfs/dbraw/zinc/71/15/80/706711580.db2.gz YXNWXTUQXWJGDI-HONMWMINSA-N 1 1 317.345 1.511 20 5 DDBDMO O=C1O[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CN1C1CC1 ZINC000844310614 703010738 /nfs/dbraw/zinc/01/07/38/703010738.db2.gz VIIYJGFZSWDQHV-CYBMUJFWSA-N 1 1 317.345 1.936 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CN1C1CC1 ZINC000844310614 703010740 /nfs/dbraw/zinc/01/07/40/703010740.db2.gz VIIYJGFZSWDQHV-CYBMUJFWSA-N 1 1 317.345 1.936 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845736059 703195099 /nfs/dbraw/zinc/19/50/99/703195099.db2.gz RHGDHDLHLZRSJK-NSHDSACASA-N 1 1 324.381 1.942 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000879583215 706727657 /nfs/dbraw/zinc/72/76/57/706727657.db2.gz WQDKDLMIMHYUNA-ABAIWWIYSA-N 1 1 315.377 1.997 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846920832 703352028 /nfs/dbraw/zinc/35/20/28/703352028.db2.gz OHDNONXBUJAWFG-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972750 703359181 /nfs/dbraw/zinc/35/91/81/703359181.db2.gz MMWKJAPOBYVRCG-UKRRQHHQSA-N 1 1 321.377 1.571 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000850431471 703730798 /nfs/dbraw/zinc/73/07/98/703730798.db2.gz XMQNDPDTDMRSDN-SECBINFHSA-N 1 1 302.352 1.299 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000852205498 703966723 /nfs/dbraw/zinc/96/67/23/703966723.db2.gz NFDWXLVHGBDIOY-PHIMTYICSA-N 1 1 312.370 1.432 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(Cc2onc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000852205498 703966725 /nfs/dbraw/zinc/96/67/25/703966725.db2.gz NFDWXLVHGBDIOY-PHIMTYICSA-N 1 1 312.370 1.432 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCOCCO)C2CCC2)c1 ZINC000852291382 703998584 /nfs/dbraw/zinc/99/85/84/703998584.db2.gz WBLRVJPBMPZDJU-INIZCTEOSA-N 1 1 324.377 1.492 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000852570434 704077257 /nfs/dbraw/zinc/07/72/57/704077257.db2.gz COBIHDXTGXYYFT-UHFFFAOYSA-N 1 1 311.338 1.604 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870928105 704172353 /nfs/dbraw/zinc/17/23/53/704172353.db2.gz DXGVAHGXBNLCKV-INIZCTEOSA-N 1 1 320.393 1.321 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853587966 704277226 /nfs/dbraw/zinc/27/72/26/704277226.db2.gz OZXYYWZDBUJWDI-QWRGUYRKSA-N 1 1 319.317 1.429 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853587966 704277229 /nfs/dbraw/zinc/27/72/29/704277229.db2.gz OZXYYWZDBUJWDI-QWRGUYRKSA-N 1 1 319.317 1.429 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832783215 706983585 /nfs/dbraw/zinc/98/35/85/706983585.db2.gz PEYFLYLBOHMJDS-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859556022 704936330 /nfs/dbraw/zinc/93/63/30/704936330.db2.gz CDFJCNQGZRAOPV-CQSZACIVSA-N 1 1 312.297 1.498 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859556022 704936333 /nfs/dbraw/zinc/93/63/33/704936333.db2.gz CDFJCNQGZRAOPV-CQSZACIVSA-N 1 1 312.297 1.498 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000859888395 705030588 /nfs/dbraw/zinc/03/05/88/705030588.db2.gz CTVTWRWJGBRGTR-SGRMJCNGSA-N 1 1 324.402 1.614 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874827076 705185566 /nfs/dbraw/zinc/18/55/66/705185566.db2.gz AXDOFSOVTYSJAD-KGLIPLIRSA-N 1 1 319.361 1.912 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860894339 705312852 /nfs/dbraw/zinc/31/28/52/705312852.db2.gz QCZCMXRFETVYGQ-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343129 705434739 /nfs/dbraw/zinc/43/47/39/705434739.db2.gz YYEATNIWWZEMQO-ABAIWWIYSA-N 1 1 323.349 1.443 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000861385949 705453143 /nfs/dbraw/zinc/45/31/43/705453143.db2.gz ZEVOPVMSYAVTMI-UHFFFAOYSA-N 1 1 316.317 1.643 20 5 DDBDMO CCC[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825688495 705714430 /nfs/dbraw/zinc/71/44/30/705714430.db2.gz MIENZSOVSVJXOH-AWEZNQCLSA-N 1 1 307.350 1.182 20 5 DDBDMO C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(C)COC1 ZINC000863298458 705894454 /nfs/dbraw/zinc/89/44/54/705894454.db2.gz FAGYCOXJBXUNET-UHFFFAOYSA-N 1 1 317.349 1.779 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827320512 705975027 /nfs/dbraw/zinc/97/50/27/705975027.db2.gz RZBLQYDYIYZJMY-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828249358 706146363 /nfs/dbraw/zinc/14/63/63/706146363.db2.gz ZZZUWWDCXBVOAY-JTNHKYCSSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828249358 706146365 /nfs/dbraw/zinc/14/63/65/706146365.db2.gz ZZZUWWDCXBVOAY-JTNHKYCSSA-N 1 1 307.350 1.179 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000828461508 706184047 /nfs/dbraw/zinc/18/40/47/706184047.db2.gz ZWBPZQIQQXBPRG-LBPRGKRZSA-N 1 1 324.337 1.762 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449525 706335001 /nfs/dbraw/zinc/33/50/01/706335001.db2.gz CEDNZBPSZOMRCU-KFWWJZLASA-N 1 1 303.362 1.909 20 5 DDBDMO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865718305 706505088 /nfs/dbraw/zinc/50/50/88/706505088.db2.gz XXVAVMNAPLHXSH-CYBMUJFWSA-N 1 1 321.352 1.972 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510072 706527855 /nfs/dbraw/zinc/52/78/55/706527855.db2.gz QSOZCALVQHWYFH-KGLIPLIRSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510072 706527857 /nfs/dbraw/zinc/52/78/57/706527857.db2.gz QSOZCALVQHWYFH-KGLIPLIRSA-N 1 1 323.349 1.401 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434021 706974835 /nfs/dbraw/zinc/97/48/35/706974835.db2.gz VOMMNTDVPXIFIM-SOUVJXGZSA-N 1 1 310.350 1.364 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927147327 712946920 /nfs/dbraw/zinc/94/69/20/712946920.db2.gz KQRHMNTXMFXBEY-UXIGCNINSA-N 1 1 316.361 1.778 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882476846 707648404 /nfs/dbraw/zinc/64/84/04/707648404.db2.gz DVQQFFQCFSEFRR-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882489549 707660205 /nfs/dbraw/zinc/66/02/05/707660205.db2.gz DBEQHIJKPLAMSB-GFCCVEGCSA-N 1 1 313.304 1.897 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882489549 707660208 /nfs/dbraw/zinc/66/02/08/707660208.db2.gz DBEQHIJKPLAMSB-GFCCVEGCSA-N 1 1 313.304 1.897 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000882489197 707660825 /nfs/dbraw/zinc/66/08/25/707660825.db2.gz NXXXPUCWELWXRP-SNVBAGLBSA-N 1 1 302.334 1.900 20 5 DDBDMO CON1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839132347 708028782 /nfs/dbraw/zinc/02/87/82/708028782.db2.gz ZMPRYHDPQHWBPE-HNNXBMFYSA-N 1 1 309.366 1.586 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897216830 708256071 /nfs/dbraw/zinc/25/60/71/708256071.db2.gz VTKMGRUDZGWOLA-QWHCGFSZSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897220529 708258907 /nfs/dbraw/zinc/25/89/07/708258907.db2.gz XCDXIFYUDIIXLQ-LSDHHAIUSA-N 1 1 309.341 1.769 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000886026569 708684034 /nfs/dbraw/zinc/68/40/34/708684034.db2.gz YKNNQKSCJFFEAK-OAHLLOKOSA-N 1 1 320.393 1.677 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000886026569 708684036 /nfs/dbraw/zinc/68/40/36/708684036.db2.gz YKNNQKSCJFFEAK-OAHLLOKOSA-N 1 1 320.393 1.677 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000886188160 708712039 /nfs/dbraw/zinc/71/20/39/708712039.db2.gz MENSLUBVGYBHGT-HNNXBMFYSA-N 1 1 320.393 1.677 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000886188160 708712042 /nfs/dbraw/zinc/71/20/42/708712042.db2.gz MENSLUBVGYBHGT-HNNXBMFYSA-N 1 1 320.393 1.677 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000886593587 708785434 /nfs/dbraw/zinc/78/54/34/708785434.db2.gz UVHVRITZDVKLDZ-ZDUSSCGKSA-N 1 1 323.397 1.288 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739800 713079543 /nfs/dbraw/zinc/07/95/43/713079543.db2.gz HQIDKFGNWOXHQI-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739800 713079546 /nfs/dbraw/zinc/07/95/46/713079546.db2.gz HQIDKFGNWOXHQI-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000900046898 709275978 /nfs/dbraw/zinc/27/59/78/709275978.db2.gz WDDLINHTDQXGJD-VHSXEESVSA-N 1 1 306.322 1.004 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811834 713098553 /nfs/dbraw/zinc/09/85/53/713098553.db2.gz ORXQGARZATYAPZ-JQWIXIFHSA-N 1 1 323.397 1.819 20 5 DDBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000912949020 713132198 /nfs/dbraw/zinc/13/21/98/713132198.db2.gz KZZMKBNAPIUFNO-UHFFFAOYSA-N 1 1 315.414 1.439 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000900968697 709854571 /nfs/dbraw/zinc/85/45/71/709854571.db2.gz WRMDPUMODKBGAS-RBOXIYTFSA-N 1 1 321.377 1.536 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@]2(C)C1 ZINC000913282133 713190696 /nfs/dbraw/zinc/19/06/96/713190696.db2.gz YOARWAVSWCEJSW-IYBDPMFKSA-N 1 1 318.377 1.591 20 5 DDBDMO CC[N@@H+](CCO)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893645909 710762335 /nfs/dbraw/zinc/76/23/35/710762335.db2.gz AWGBMOHHRZCENF-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO CCN(CCO)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893645909 710762341 /nfs/dbraw/zinc/76/23/41/710762341.db2.gz AWGBMOHHRZCENF-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000893872506 710867570 /nfs/dbraw/zinc/86/75/70/710867570.db2.gz KVXNSPKRHFFLFQ-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000903445295 711128947 /nfs/dbraw/zinc/12/89/47/711128947.db2.gz HYBSCTVDKBXXTI-AGIUHOORSA-N 1 1 305.382 1.332 20 5 DDBDMO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000903445295 711128949 /nfs/dbraw/zinc/12/89/49/711128949.db2.gz HYBSCTVDKBXXTI-AGIUHOORSA-N 1 1 305.382 1.332 20 5 DDBDMO CC(C)Oc1nc(N(C)CC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000894592608 711199072 /nfs/dbraw/zinc/19/90/72/711199072.db2.gz ZGXHUYWWJJOMPD-UHFFFAOYSA-N 1 1 312.370 1.137 20 5 DDBDMO COc1c(O)ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894638822 711226485 /nfs/dbraw/zinc/22/64/85/711226485.db2.gz HFPJOAMLPOCPIN-PHIMTYICSA-N 1 1 309.366 1.833 20 5 DDBDMO [NH3+]CC1([C@@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000903813818 711289216 /nfs/dbraw/zinc/28/92/16/711289216.db2.gz ISANSSAZXPNXSK-ZDUSSCGKSA-N 1 1 307.398 1.775 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@@H]2Cc3c[nH+]cn3C2)c(Br)c1 ZINC000894995583 711356223 /nfs/dbraw/zinc/35/62/23/711356223.db2.gz DEISYQDDPDUMOI-SSDOTTSWSA-N 1 1 324.138 1.986 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C(C)(C)C ZINC000895100667 711411392 /nfs/dbraw/zinc/41/13/92/711411392.db2.gz DTFOISQZPBLHFQ-AWEZNQCLSA-N 1 1 320.393 1.860 20 5 DDBDMO CC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246144 711463877 /nfs/dbraw/zinc/46/38/77/711463877.db2.gz LVWVGFMQPQAHIM-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246144 711463879 /nfs/dbraw/zinc/46/38/79/711463879.db2.gz LVWVGFMQPQAHIM-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246826 711464535 /nfs/dbraw/zinc/46/45/35/711464535.db2.gz QNLVKDDNNJISRN-HZMBPMFUSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+](C)CCN1C ZINC000895246826 711464538 /nfs/dbraw/zinc/46/45/38/711464538.db2.gz QNLVKDDNNJISRN-HZMBPMFUSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246826 711464539 /nfs/dbraw/zinc/46/45/39/711464539.db2.gz QNLVKDDNNJISRN-HZMBPMFUSA-N 1 1 318.381 1.517 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000895767826 711600513 /nfs/dbraw/zinc/60/05/13/711600513.db2.gz SAJILWICXFUUSD-GFCCVEGCSA-N 1 1 304.350 1.603 20 5 DDBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896572426 711756112 /nfs/dbraw/zinc/75/61/12/711756112.db2.gz VBLUSBVZIRDZTC-MWLCHTKSSA-N 1 1 312.395 1.020 20 5 DDBDMO Cc1[nH]nc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000914444057 713396276 /nfs/dbraw/zinc/39/62/76/713396276.db2.gz OVIGKETXHXVVDD-CMPLNLGQSA-N 1 1 323.397 1.961 20 5 DDBDMO Cc1c(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000929222367 713570300 /nfs/dbraw/zinc/57/03/00/713570300.db2.gz HAIZXGFOFSKHKC-TXEJJXNPSA-N 1 1 304.350 1.929 20 5 DDBDMO CCOCCOCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987476 713729471 /nfs/dbraw/zinc/72/94/71/713729471.db2.gz JYJLLHMCJHRKKR-ZDUSSCGKSA-N 1 1 324.381 1.529 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000923297537 714301801 /nfs/dbraw/zinc/30/18/01/714301801.db2.gz JNRUOYXWCSKWAB-QWHCGFSZSA-N 1 1 318.377 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933902376 714697270 /nfs/dbraw/zinc/69/72/70/714697270.db2.gz ZNTPYTDCSFMBHB-ZIAGYGMSSA-N 1 1 308.334 1.466 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115523 714744973 /nfs/dbraw/zinc/74/49/73/714744973.db2.gz ATJKKNOKBRBEEN-UKRRQHHQSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115523 714744977 /nfs/dbraw/zinc/74/49/77/714744977.db2.gz ATJKKNOKBRBEEN-UKRRQHHQSA-N 1 1 319.361 1.593 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000935694248 715118386 /nfs/dbraw/zinc/11/83/86/715118386.db2.gz MQYAKCCBNVIIND-BETUJISGSA-N 1 1 321.352 1.687 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164637377 719160848 /nfs/dbraw/zinc/16/08/48/719160848.db2.gz OKGXOHOZYHVQBG-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164643443 719218259 /nfs/dbraw/zinc/21/82/59/719218259.db2.gz YVJKPLLLUMSRBP-WDEREUQCSA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc1Cl ZINC001164664943 719385801 /nfs/dbraw/zinc/38/58/01/719385801.db2.gz DAHCHOGOLPNYCK-GHMZBOCLSA-N 1 1 312.757 1.471 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001164667325 719389465 /nfs/dbraw/zinc/38/94/65/719389465.db2.gz NVBGKOPMJYIDNC-KBPBESRZSA-N 1 1 315.333 1.057 20 5 DDBDMO COc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001165037416 721904212 /nfs/dbraw/zinc/90/42/12/721904212.db2.gz GRYQFBVYUAHAOY-GFCCVEGCSA-N 1 1 322.365 1.299 20 5 DDBDMO C[C@@H]1CO[C@@H]2CN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]12 ZINC001167174349 732802678 /nfs/dbraw/zinc/80/26/78/732802678.db2.gz UFOVYCLCNOLWGK-IKQBLONZSA-N 1 1 318.377 1.993 20 5 DDBDMO CCC(=CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)CC ZINC001125564569 734607511 /nfs/dbraw/zinc/60/75/11/734607511.db2.gz CUKAFFKVHXUFKM-UHFFFAOYSA-N 1 1 309.370 1.281 20 5 DDBDMO O=C(NCC[NH2+]Cc1cccc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001126936491 742841731 /nfs/dbraw/zinc/84/17/31/742841731.db2.gz LFFBKOBNMXSDRU-HZPDHXFCSA-N 1 1 313.357 1.711 20 5 DDBDMO O=C(NC1CC[NH+](CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789628 743419276 /nfs/dbraw/zinc/41/92/76/743419276.db2.gz WLYQQFUVTPDOJB-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674254 762078964 /nfs/dbraw/zinc/07/89/64/762078964.db2.gz MZSZNKXBKCRUOS-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCC1=CC[N@H+](CC2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674254 762078973 /nfs/dbraw/zinc/07/89/73/762078973.db2.gz MZSZNKXBKCRUOS-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CC2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674254 762078980 /nfs/dbraw/zinc/07/89/80/762078980.db2.gz MZSZNKXBKCRUOS-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO CC(=O)N1CCCC[C@]12CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169030352 762186550 /nfs/dbraw/zinc/18/65/50/762186550.db2.gz YYQFHTZRXZOLFS-BZUAXINKSA-N 1 1 309.410 1.909 20 5 DDBDMO COC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023988 762201840 /nfs/dbraw/zinc/20/18/40/762201840.db2.gz WLVSQIZRNPORGQ-AVGNSLFASA-N 1 1 308.382 1.411 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023988 762201843 /nfs/dbraw/zinc/20/18/43/762201843.db2.gz WLVSQIZRNPORGQ-AVGNSLFASA-N 1 1 308.382 1.411 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052077 762206801 /nfs/dbraw/zinc/20/68/01/762206801.db2.gz FXEDJRAZTCIFLJ-RBSFLKMASA-N 1 1 324.425 1.702 20 5 DDBDMO COC(=O)c1cnc2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055913 762210018 /nfs/dbraw/zinc/21/00/18/762210018.db2.gz RFGKWGUWYYRBGX-BXUZGUMPSA-N 1 1 319.361 1.672 20 5 DDBDMO CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265140 759370382 /nfs/dbraw/zinc/37/03/82/759370382.db2.gz FVIXZFYCKSGEHG-HUUCEWRRSA-N 1 1 303.362 1.692 20 5 DDBDMO CC(C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054265140 759370394 /nfs/dbraw/zinc/37/03/94/759370394.db2.gz FVIXZFYCKSGEHG-HUUCEWRRSA-N 1 1 303.362 1.692 20 5 DDBDMO CC(C)[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054265140 759370406 /nfs/dbraw/zinc/37/04/06/759370406.db2.gz FVIXZFYCKSGEHG-HUUCEWRRSA-N 1 1 303.362 1.692 20 5 DDBDMO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139349 760614251 /nfs/dbraw/zinc/61/42/51/760614251.db2.gz YTOATNKYRIBZPS-KBUPBQIOSA-N 1 1 303.362 1.397 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363442 761493207 /nfs/dbraw/zinc/49/32/07/761493207.db2.gz UVNLJVZISLZWNM-KLHDSHLOSA-N 1 1 317.389 1.379 20 5 DDBDMO CCOc1nc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC001157045540 764323805 /nfs/dbraw/zinc/32/38/05/764323805.db2.gz MJMPEXSQPLCEAE-UHFFFAOYSA-N 1 1 312.395 1.849 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCOC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335728 766257768 /nfs/dbraw/zinc/25/77/68/766257768.db2.gz QPIBKPMOHIEPAV-WBMJQRKESA-N 1 1 324.377 1.618 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121698269 782631708 /nfs/dbraw/zinc/63/17/08/782631708.db2.gz FMIPUTPRBXVRJO-VXGBXAGGSA-N 1 1 310.402 1.241 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001121698266 782632131 /nfs/dbraw/zinc/63/21/31/782632131.db2.gz FMIPUTPRBXVRJO-NEPJUHHUSA-N 1 1 310.402 1.241 20 5 DDBDMO CCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048630498 769592847 /nfs/dbraw/zinc/59/28/47/769592847.db2.gz HHOHBVNUTZPPMK-OKILXGFUSA-N 1 1 303.362 1.895 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C)CCCCC1 ZINC001133276860 769662247 /nfs/dbraw/zinc/66/22/47/769662247.db2.gz RNNKXYMVIDWYDP-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](CO)[C@H](O)C1)CC2 ZINC001172905989 776916727 /nfs/dbraw/zinc/91/67/27/776916727.db2.gz VYWFWNLHZXMGFN-IIAWOOMASA-N 1 1 306.362 1.127 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001173222729 777056276 /nfs/dbraw/zinc/05/62/76/777056276.db2.gz UZRGCJRGYOHNDL-DAXOMENPSA-N 1 1 308.378 1.591 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001116009680 780467505 /nfs/dbraw/zinc/46/75/05/780467505.db2.gz OSYZHQCKEPXUBH-GFCCVEGCSA-N 1 1 318.377 1.851 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)noc1C ZINC001266560239 836469034 /nfs/dbraw/zinc/46/90/34/836469034.db2.gz FLYWNMRNPCSUCZ-TZMCWYRMSA-N 1 1 324.381 1.285 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001155197980 861830373 /nfs/dbraw/zinc/83/03/73/861830373.db2.gz ZJXVJLVBVZJFAH-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001155197980 861830393 /nfs/dbraw/zinc/83/03/93/861830393.db2.gz ZJXVJLVBVZJFAH-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO Cc1ncsc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001273084128 847886594 /nfs/dbraw/zinc/88/65/94/847886594.db2.gz CKKOOOVABMVORU-GHMZBOCLSA-N 1 1 324.406 1.245 20 5 DDBDMO Cc1cncc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001273507994 851040906 /nfs/dbraw/zinc/04/09/06/851040906.db2.gz RSDYWAARHASIPW-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO Cc1cncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001273507994 851040914 /nfs/dbraw/zinc/04/09/14/851040914.db2.gz RSDYWAARHASIPW-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO Cc1cncc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001273507994 851040917 /nfs/dbraw/zinc/04/09/17/851040917.db2.gz RSDYWAARHASIPW-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001072725590 857641766 /nfs/dbraw/zinc/64/17/66/857641766.db2.gz PUKVHAHMNZVLBX-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001072725590 857641770 /nfs/dbraw/zinc/64/17/70/857641770.db2.gz PUKVHAHMNZVLBX-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001072725590 857641777 /nfs/dbraw/zinc/64/17/77/857641777.db2.gz PUKVHAHMNZVLBX-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001124088468 859571901 /nfs/dbraw/zinc/57/19/01/859571901.db2.gz UWTJSHZIGRYCQP-MELADBBJSA-N 1 1 303.362 1.973 20 5 DDBDMO CC[N@@H+](CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-])C1CC1 ZINC001203061058 860685871 /nfs/dbraw/zinc/68/58/71/860685871.db2.gz NHVPDWVOAAMZAD-UHFFFAOYSA-N 1 1 307.354 1.326 20 5 DDBDMO CC(C)[N@H+](C)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001152440118 863347315 /nfs/dbraw/zinc/34/73/15/863347315.db2.gz ZQVDCYJTXLGHOS-UHFFFAOYSA-N 1 1 308.382 1.141 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001152440118 863347326 /nfs/dbraw/zinc/34/73/26/863347326.db2.gz ZQVDCYJTXLGHOS-UHFFFAOYSA-N 1 1 308.382 1.141 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416374 863654520 /nfs/dbraw/zinc/65/45/20/863654520.db2.gz LLEKPUMEEMDPAA-JSGCOSHPSA-N 1 1 307.350 1.229 20 5 DDBDMO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001157767541 864118387 /nfs/dbraw/zinc/11/83/87/864118387.db2.gz PXMYUFFUMJBDFJ-HUUCEWRRSA-N 1 1 305.378 1.565 20 5 DDBDMO [NH3+]Cc1ncn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1 ZINC001157926848 864269518 /nfs/dbraw/zinc/26/95/18/864269518.db2.gz UFLBMJZGYDSXTE-UHFFFAOYSA-N 1 1 304.644 1.291 20 5 DDBDMO Cn1nnnc1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001331830720 865369787 /nfs/dbraw/zinc/36/97/87/865369787.db2.gz FDDIXZORMSOFFF-UHFFFAOYSA-N 1 1 320.328 1.637 20 5 DDBDMO Cn1cc(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c([N+](=O)[O-])n1 ZINC001332271090 865713020 /nfs/dbraw/zinc/71/30/20/865713020.db2.gz QXDMZYAZBWVLDW-CYBMUJFWSA-N 1 1 322.365 1.779 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001324138992 867099586 /nfs/dbraw/zinc/09/95/86/867099586.db2.gz FSBUWUDJEZNJNX-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001324138992 867099604 /nfs/dbraw/zinc/09/96/04/867099604.db2.gz FSBUWUDJEZNJNX-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335565332 868388226 /nfs/dbraw/zinc/38/82/26/868388226.db2.gz HYCRISVRUHFJHN-UONOGXRCSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1ccnc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1[N+](=O)[O-] ZINC001166033092 869808478 /nfs/dbraw/zinc/80/84/78/869808478.db2.gz UEGAUCFKSGJGIR-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338298785 869909742 /nfs/dbraw/zinc/90/97/42/869909742.db2.gz WFESJUUPYXEGOR-IVZWLZJFSA-N 1 1 303.322 1.883 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226360221 882383229 /nfs/dbraw/zinc/38/32/29/882383229.db2.gz CGIZYUQCPBZPOL-LLVKDONJSA-N 1 1 324.333 1.863 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC001339997509 870829240 /nfs/dbraw/zinc/82/92/40/870829240.db2.gz CPOXNOCVLVEBJF-GARJFASQSA-N 1 1 320.349 1.529 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001308048901 871465673 /nfs/dbraw/zinc/46/56/73/871465673.db2.gz YFGLOXGZFBFAFR-UHFFFAOYSA-N 1 1 320.328 1.702 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109347 871472244 /nfs/dbraw/zinc/47/22/44/871472244.db2.gz VMMLXNVERUDWHG-DZGCQCFKSA-N 1 1 321.377 1.428 20 5 DDBDMO CS(=O)(=O)C1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001205551251 871623002 /nfs/dbraw/zinc/62/30/02/871623002.db2.gz PUGKBHZJVZEZNY-UHFFFAOYSA-N 1 1 324.362 1.136 20 5 DDBDMO CCc1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001316823370 872119865 /nfs/dbraw/zinc/11/98/65/872119865.db2.gz IXFISYOARGCODY-VXGBXAGGSA-N 1 1 324.381 1.149 20 5 DDBDMO CCc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001316823370 872119870 /nfs/dbraw/zinc/11/98/70/872119870.db2.gz IXFISYOARGCODY-VXGBXAGGSA-N 1 1 324.381 1.149 20 5 DDBDMO CCc1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001316823370 872119875 /nfs/dbraw/zinc/11/98/75/872119875.db2.gz IXFISYOARGCODY-VXGBXAGGSA-N 1 1 324.381 1.149 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001216486487 876955285 /nfs/dbraw/zinc/95/52/85/876955285.db2.gz SIBMZKXVAYYSQN-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO COc1ccc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001223513747 880987384 /nfs/dbraw/zinc/98/73/84/880987384.db2.gz HBGHPJSKMYYGID-IUIKQTSFSA-N 1 1 320.345 1.924 20 5 DDBDMO COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001227897917 883220630 /nfs/dbraw/zinc/22/06/30/883220630.db2.gz VRPGPSCHCSAXCG-LLVKDONJSA-N 1 1 324.333 1.481 20 5 DDBDMO CCOCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001231406391 885620583 /nfs/dbraw/zinc/62/05/83/885620583.db2.gz DYOAYLDORWAIRG-UHFFFAOYSA-N 1 1 309.366 1.569 20 5 DDBDMO COC(=O)c1cnc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001233860348 887397728 /nfs/dbraw/zinc/39/77/28/887397728.db2.gz ZVJOFZYBBHAOIP-LLVKDONJSA-N 1 1 309.322 1.640 20 5 DDBDMO C[N@H+]1CCC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234359571 887905161 /nfs/dbraw/zinc/90/51/61/887905161.db2.gz HPPAAPYADBUSIH-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545138 896496108 /nfs/dbraw/zinc/49/61/08/896496108.db2.gz JEBJSZLTNZEBCX-CJNGLKHVSA-N 1 1 324.377 1.429 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001254554552 896498515 /nfs/dbraw/zinc/49/85/15/896498515.db2.gz BOISKXGTLPDPLW-WQVCFCJDSA-N 1 1 305.378 1.541 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569250 896505608 /nfs/dbraw/zinc/50/56/08/896505608.db2.gz JEQQCRNZZCGRBS-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569250 896505624 /nfs/dbraw/zinc/50/56/24/896505624.db2.gz JEQQCRNZZCGRBS-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001261297527 899454154 /nfs/dbraw/zinc/45/41/54/899454154.db2.gz DEAHPXDXSNICBS-UHFFFAOYSA-N 1 1 303.362 1.965 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001262359575 900130994 /nfs/dbraw/zinc/13/09/94/900130994.db2.gz CUYOPGVTPKBBQU-LLVKDONJSA-N 1 1 307.350 1.635 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001262359575 900131001 /nfs/dbraw/zinc/13/10/01/900131001.db2.gz CUYOPGVTPKBBQU-LLVKDONJSA-N 1 1 307.350 1.635 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001262725518 900337270 /nfs/dbraw/zinc/33/72/70/900337270.db2.gz YWPUOKDYXNPLGK-VZJVUDMVSA-N 1 1 318.377 1.707 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC000278454282 214164506 /nfs/dbraw/zinc/16/45/06/214164506.db2.gz YNKBKAXCFLQEOA-OKILXGFUSA-N 1 1 304.302 1.392 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000450596884 230762161 /nfs/dbraw/zinc/76/21/61/230762161.db2.gz GNONOTRSQNJQCO-ZDUSSCGKSA-N 1 1 310.354 1.579 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000451358756 231075598 /nfs/dbraw/zinc/07/55/98/231075598.db2.gz HBLJBFZDUFYVNF-NSHDSACASA-N 1 1 309.366 1.933 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000495218497 529572034 /nfs/dbraw/zinc/57/20/34/529572034.db2.gz BGIWAKVAUGPEOJ-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000495218497 529572037 /nfs/dbraw/zinc/57/20/37/529572037.db2.gz BGIWAKVAUGPEOJ-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000090554557 185303275 /nfs/dbraw/zinc/30/32/75/185303275.db2.gz JKQWTPZWLDWSLL-UHFFFAOYSA-N 1 1 309.366 1.646 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413105328 529784752 /nfs/dbraw/zinc/78/47/52/529784752.db2.gz NNNICOXQNNRSTC-ZDUSSCGKSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413105328 529784753 /nfs/dbraw/zinc/78/47/53/529784753.db2.gz NNNICOXQNNRSTC-ZDUSSCGKSA-N 1 1 302.334 1.886 20 5 DDBDMO COc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272779509 210182936 /nfs/dbraw/zinc/18/29/36/210182936.db2.gz DOHCMBVPEYDPGB-UHFFFAOYSA-N 1 1 308.338 1.773 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000615494262 362306816 /nfs/dbraw/zinc/30/68/16/362306816.db2.gz KKPFVOVWNJLZPM-LLVKDONJSA-N 1 1 318.377 1.627 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000615494262 362306823 /nfs/dbraw/zinc/30/68/23/362306823.db2.gz KKPFVOVWNJLZPM-LLVKDONJSA-N 1 1 318.377 1.627 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000459478465 530054572 /nfs/dbraw/zinc/05/45/72/530054572.db2.gz IROMDBQKDQRXBC-NSHDSACASA-N 1 1 307.354 1.265 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCCO)Cc2ccccn2)n1 ZINC000287044123 219284701 /nfs/dbraw/zinc/28/47/01/219284701.db2.gz SZHSDJGHMWGMQQ-UHFFFAOYSA-N 1 1 305.338 1.071 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)O ZINC000265138641 186337293 /nfs/dbraw/zinc/33/72/93/186337293.db2.gz PMRITZNQWLLXMQ-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000265994985 186352491 /nfs/dbraw/zinc/35/24/91/186352491.db2.gz JJCVHGREOGODLL-CYBMUJFWSA-N 1 1 323.397 1.276 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026198164 352206152 /nfs/dbraw/zinc/20/61/52/352206152.db2.gz GPOINSKHXWILSI-UMVBOHGHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026198164 352206156 /nfs/dbraw/zinc/20/61/56/352206156.db2.gz GPOINSKHXWILSI-UMVBOHGHSA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000052289129 352607524 /nfs/dbraw/zinc/60/75/24/352607524.db2.gz RFYQHIGWNTXFQB-UHFFFAOYSA-N 1 1 303.322 1.599 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491559810 234203042 /nfs/dbraw/zinc/20/30/42/234203042.db2.gz BJYCJJTYMZGVIA-ZBKLQPJUSA-N 1 1 319.361 1.445 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])no1 ZINC000355699610 290975009 /nfs/dbraw/zinc/97/50/09/290975009.db2.gz FENGLKRGJQVYDZ-UHFFFAOYSA-N 1 1 304.306 1.574 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000072731515 353213352 /nfs/dbraw/zinc/21/33/52/353213352.db2.gz QQBAUNRFDBXTPA-GFCCVEGCSA-N 1 1 306.366 1.727 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000076679687 353432883 /nfs/dbraw/zinc/43/28/83/353432883.db2.gz XMBVZOSAMXRPAB-UHFFFAOYSA-N 1 1 306.366 1.526 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620884 353525541 /nfs/dbraw/zinc/52/55/41/353525541.db2.gz YYPQVGHWWICMHI-NSHDSACASA-N 1 1 314.345 1.808 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620884 353525542 /nfs/dbraw/zinc/52/55/42/353525542.db2.gz YYPQVGHWWICMHI-NSHDSACASA-N 1 1 314.345 1.808 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093344046 353898027 /nfs/dbraw/zinc/89/80/27/353898027.db2.gz WOZGRMFGWORLDC-FZMZJTMJSA-N 1 1 310.350 1.685 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000139417929 354127853 /nfs/dbraw/zinc/12/78/53/354127853.db2.gz LAYWJMZDPGZJQN-CQSZACIVSA-N 1 1 321.381 1.400 20 5 DDBDMO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119469 354196597 /nfs/dbraw/zinc/19/65/97/354196597.db2.gz YKYWFEOVEGBPRU-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1CO[C@@H](CO)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119469 354196599 /nfs/dbraw/zinc/19/65/99/354196599.db2.gz YKYWFEOVEGBPRU-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000293114300 354454197 /nfs/dbraw/zinc/45/41/97/354454197.db2.gz LVKSBXOYNPTBIA-DZGCQCFKSA-N 1 1 324.377 1.429 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC[N@@H+](CCO)CC1 ZINC000312224496 354477085 /nfs/dbraw/zinc/47/70/85/354477085.db2.gz FUSZQWSQNARNTG-UHFFFAOYSA-N 1 1 300.746 1.148 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCC[N@H+](CCO)CC1 ZINC000312224496 354477088 /nfs/dbraw/zinc/47/70/88/354477088.db2.gz FUSZQWSQNARNTG-UHFFFAOYSA-N 1 1 300.746 1.148 20 5 DDBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1 ZINC000589737648 355017669 /nfs/dbraw/zinc/01/76/69/355017669.db2.gz BQTYIEIQGBTGKX-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCOC1 ZINC000589737648 355017672 /nfs/dbraw/zinc/01/76/72/355017672.db2.gz BQTYIEIQGBTGKX-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000590582631 355120174 /nfs/dbraw/zinc/12/01/74/355120174.db2.gz BAINTBFDLMFLAY-SNVBAGLBSA-N 1 1 308.338 1.671 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC(C)(C)CO)c1 ZINC000590655906 355138813 /nfs/dbraw/zinc/13/88/13/355138813.db2.gz HCYFVDJUJUXBTC-UHFFFAOYSA-N 1 1 310.350 1.832 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC(C)(C)CO)c1 ZINC000590655906 355138817 /nfs/dbraw/zinc/13/88/17/355138817.db2.gz HCYFVDJUJUXBTC-UHFFFAOYSA-N 1 1 310.350 1.832 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000591144263 355254100 /nfs/dbraw/zinc/25/41/00/355254100.db2.gz BVWRVCXXLKFITN-STQMWFEESA-N 1 1 310.329 1.164 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591155624 355256750 /nfs/dbraw/zinc/25/67/50/355256750.db2.gz SEIWNGBBKOLMSX-SNVBAGLBSA-N 1 1 312.345 1.410 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196855 355533450 /nfs/dbraw/zinc/53/34/50/355533450.db2.gz ZBTSKBUMEQDYDC-GXTWGEPZSA-N 1 1 324.381 1.186 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C(C)(C)C1 ZINC000593340118 355858209 /nfs/dbraw/zinc/85/82/09/355858209.db2.gz VBTPCHZOBBNSRC-UHFFFAOYSA-N 1 1 324.381 1.116 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C(C)(C)C1 ZINC000593340118 355858212 /nfs/dbraw/zinc/85/82/12/355858212.db2.gz VBTPCHZOBBNSRC-UHFFFAOYSA-N 1 1 324.381 1.116 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593578989 355933257 /nfs/dbraw/zinc/93/32/57/355933257.db2.gz RQBUIIFUODOSOX-GHMZBOCLSA-N 1 1 309.341 1.827 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000595353704 356460743 /nfs/dbraw/zinc/46/07/43/356460743.db2.gz JUMQQPUZCISXOA-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000595484441 356512841 /nfs/dbraw/zinc/51/28/41/356512841.db2.gz LCKAYEZTTVMDEM-OAHLLOKOSA-N 1 1 309.410 1.770 20 5 DDBDMO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595447079 356496323 /nfs/dbraw/zinc/49/63/23/356496323.db2.gz FTBFXJHVHYOBAN-RISCZKNCSA-N 1 1 313.354 1.547 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595744676 356631880 /nfs/dbraw/zinc/63/18/80/356631880.db2.gz LRQHOAVMZPMEKQ-RYUDHWBXSA-N 1 1 321.377 1.790 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595736439 356628510 /nfs/dbraw/zinc/62/85/10/356628510.db2.gz GOECIWRFBOWWRU-CHWSQXEVSA-N 1 1 319.361 1.574 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756461 356638763 /nfs/dbraw/zinc/63/87/63/356638763.db2.gz GGPQELHCEMFEBK-MLGOLLRUSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759904 356641028 /nfs/dbraw/zinc/64/10/28/356641028.db2.gz QVYOBNCNFLYFCW-LRDDRELGSA-N 1 1 319.361 1.892 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000595838735 356672792 /nfs/dbraw/zinc/67/27/92/356672792.db2.gz VHVLNKQLXHPJTC-DZGCQCFKSA-N 1 1 308.382 1.664 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595873316 356686727 /nfs/dbraw/zinc/68/67/27/356686727.db2.gz LLJFXEFQABKQIV-LRDDRELGSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595873316 356686730 /nfs/dbraw/zinc/68/67/30/356686730.db2.gz LLJFXEFQABKQIV-LRDDRELGSA-N 1 1 321.377 1.792 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596074494 356763538 /nfs/dbraw/zinc/76/35/38/356763538.db2.gz AZGODRKAXQHARE-OCCSQVGLSA-N 1 1 304.350 1.732 20 5 DDBDMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596137025 356787337 /nfs/dbraw/zinc/78/73/37/356787337.db2.gz OCOUWMXJLSARGC-JQWIXIFHSA-N 1 1 306.366 1.613 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596432129 356877846 /nfs/dbraw/zinc/87/78/46/356877846.db2.gz QMHVUIHBEFDTJX-MNOVXSKESA-N 1 1 322.365 1.215 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596432129 356877848 /nfs/dbraw/zinc/87/78/48/356877848.db2.gz QMHVUIHBEFDTJX-MNOVXSKESA-N 1 1 322.365 1.215 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596538593 356911378 /nfs/dbraw/zinc/91/13/78/356911378.db2.gz MODNBXYIAWYKKV-AWEZNQCLSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221531 357497184 /nfs/dbraw/zinc/49/71/84/357497184.db2.gz XDGICIKCXTYRMR-NSHDSACASA-N 1 1 321.381 1.763 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000598590883 357644168 /nfs/dbraw/zinc/64/41/68/357644168.db2.gz RSDGKCQKFHOFTH-MNOVXSKESA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1(C)COC1 ZINC000599571398 357978855 /nfs/dbraw/zinc/97/88/55/357978855.db2.gz GEEIISIQXKOPQY-UHFFFAOYSA-N 1 1 307.350 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1(C)COC1 ZINC000599571398 357978857 /nfs/dbraw/zinc/97/88/57/357978857.db2.gz GEEIISIQXKOPQY-UHFFFAOYSA-N 1 1 307.350 1.810 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599684810 358024243 /nfs/dbraw/zinc/02/42/43/358024243.db2.gz RDXKLOHSNOQUGW-KLZCAUPSSA-N 1 1 322.361 1.180 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599753569 358047824 /nfs/dbraw/zinc/04/78/24/358047824.db2.gz ORTJFNXWKLYCPG-GFCCVEGCSA-N 1 1 322.365 1.400 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000180432487 199158570 /nfs/dbraw/zinc/15/85/70/199158570.db2.gz AJAUIROJNCWHGR-QMMMGPOBSA-N 1 1 307.335 1.736 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000600816931 358323412 /nfs/dbraw/zinc/32/34/12/358323412.db2.gz VJNZKOCSAJQVHX-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccnc1)C1CC1 ZINC000180731371 199202680 /nfs/dbraw/zinc/20/26/80/199202680.db2.gz UULFUTLERDPVDI-UHFFFAOYSA-N 1 1 314.345 1.816 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000601198528 358443923 /nfs/dbraw/zinc/44/39/23/358443923.db2.gz CEOYSIKKGPDIDQ-GFCCVEGCSA-N 1 1 310.329 1.164 20 5 DDBDMO CNC(=O)[C@H]1CCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601136390 358416772 /nfs/dbraw/zinc/41/67/72/358416772.db2.gz QNCCGBFQAOPMAV-SMDDNHRTSA-N 1 1 314.345 1.892 20 5 DDBDMO O=[N+]([O-])c1ccn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000601960891 358754060 /nfs/dbraw/zinc/75/40/60/358754060.db2.gz XIWVXXGUSVBSGZ-OAHLLOKOSA-N 1 1 302.334 1.428 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601974191 358761354 /nfs/dbraw/zinc/76/13/54/358761354.db2.gz QNAFAZDHSIGFFX-UPJWGTAASA-N 1 1 319.361 1.808 20 5 DDBDMO Cn1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c([N+](=O)[O-])n1 ZINC000602604894 359067877 /nfs/dbraw/zinc/06/78/77/359067877.db2.gz QNGBROMAIRYKDD-LBPRGKRZSA-N 1 1 324.381 1.346 20 5 DDBDMO Cc1n[nH]cc1C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602653039 359102249 /nfs/dbraw/zinc/10/22/49/359102249.db2.gz MCAAVXPBNUCKFA-UHFFFAOYSA-N 1 1 304.354 1.739 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777762 359183982 /nfs/dbraw/zinc/18/39/82/359183982.db2.gz LAQUCIKKXCRBTD-CQSZACIVSA-N 1 1 309.414 1.763 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccs2)CC1 ZINC000602788284 359192157 /nfs/dbraw/zinc/19/21/57/359192157.db2.gz MXCKEBATDHKFSC-UHFFFAOYSA-N 1 1 321.406 1.983 20 5 DDBDMO Cc1cc(C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n[nH]1 ZINC000602797810 359198779 /nfs/dbraw/zinc/19/87/79/359198779.db2.gz LSSVMEBEEDNTCQ-UHFFFAOYSA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc(C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)[nH]n1 ZINC000602797810 359198783 /nfs/dbraw/zinc/19/87/83/359198783.db2.gz LSSVMEBEEDNTCQ-UHFFFAOYSA-N 1 1 304.354 1.739 20 5 DDBDMO Cn1cc(C[NH2+][C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602799407 359200134 /nfs/dbraw/zinc/20/01/34/359200134.db2.gz SMCCGSGGKYUOCZ-HNNXBMFYSA-N 1 1 302.334 1.252 20 5 DDBDMO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928005 359298611 /nfs/dbraw/zinc/29/86/11/359298611.db2.gz VJCRVTDUNVVFBU-OCCSQVGLSA-N 1 1 320.349 1.828 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928005 359298617 /nfs/dbraw/zinc/29/86/17/359298617.db2.gz VJCRVTDUNVVFBU-OCCSQVGLSA-N 1 1 320.349 1.828 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964604 359327765 /nfs/dbraw/zinc/32/77/65/359327765.db2.gz RWDUEEYRCIIWSC-DOMZBBRYSA-N 1 1 310.350 1.575 20 5 DDBDMO CO[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964442 359327930 /nfs/dbraw/zinc/32/79/30/359327930.db2.gz PNLVSYXNQSMROH-HZPDHXFCSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186908766 200029678 /nfs/dbraw/zinc/02/96/78/200029678.db2.gz AGGVRCOBRWMDOF-DYEKYZERSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000608839546 360249470 /nfs/dbraw/zinc/24/94/70/360249470.db2.gz GGCUTFNPQMTGBY-LBPRGKRZSA-N 1 1 309.370 1.009 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383034 360303236 /nfs/dbraw/zinc/30/32/36/360303236.db2.gz IKNJFHXSHAPXKU-GFCCVEGCSA-N 1 1 319.361 1.818 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000609204399 360273709 /nfs/dbraw/zinc/27/37/09/360273709.db2.gz MUQXDZKGYRNRMX-HIFRSBDPSA-N 1 1 324.377 1.429 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609476805 360311954 /nfs/dbraw/zinc/31/19/54/360311954.db2.gz VPQJTNKWJOMZQG-SECBINFHSA-N 1 1 307.354 1.237 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609521481 360317343 /nfs/dbraw/zinc/31/73/43/360317343.db2.gz ISYFKWKJANTGLN-VIFPVBQESA-N 1 1 307.306 1.005 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000609547488 360322868 /nfs/dbraw/zinc/32/28/68/360322868.db2.gz GYVVJBHJHLDNGZ-CYBMUJFWSA-N 1 1 307.350 1.704 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cn[nH]c1 ZINC000610487745 360448938 /nfs/dbraw/zinc/44/89/38/360448938.db2.gz ULPMKNJMJIRLCY-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000610506763 360456249 /nfs/dbraw/zinc/45/62/49/360456249.db2.gz XIWCNZREGWJQRL-NEPJUHHUSA-N 1 1 305.334 1.327 20 5 DDBDMO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556703 360759242 /nfs/dbraw/zinc/75/92/42/360759242.db2.gz OCAGCGWETQWUOG-LBPRGKRZSA-N 1 1 307.350 1.905 20 5 DDBDMO CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000611615846 360776792 /nfs/dbraw/zinc/77/67/92/360776792.db2.gz CZVMGNLRQDKSFN-ZIAGYGMSSA-N 1 1 322.409 1.888 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272017828 209386983 /nfs/dbraw/zinc/38/69/83/209386983.db2.gz UUABFDLTTZXYQJ-UHFFFAOYSA-N 1 1 307.354 1.262 20 5 DDBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000194878150 201305536 /nfs/dbraw/zinc/30/55/36/201305536.db2.gz VJUFHNJMXCLMPI-HNNXBMFYSA-N 1 1 324.381 1.703 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000619497062 364039389 /nfs/dbraw/zinc/03/93/89/364039389.db2.gz ZMAPZPKGVSUREM-UHFFFAOYSA-N 1 1 311.386 1.013 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000619497062 364039396 /nfs/dbraw/zinc/03/93/96/364039396.db2.gz ZMAPZPKGVSUREM-UHFFFAOYSA-N 1 1 311.386 1.013 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)CC1 ZINC000293013081 223352527 /nfs/dbraw/zinc/35/25/27/223352527.db2.gz DRZOVRRKJLIZAR-NWDGAFQWSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)CC1 ZINC000293013081 223352530 /nfs/dbraw/zinc/35/25/30/223352530.db2.gz DRZOVRRKJLIZAR-NWDGAFQWSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264670896 204066714 /nfs/dbraw/zinc/06/67/14/204066714.db2.gz JGUCPROXTSTKGH-GFCCVEGCSA-N 1 1 306.366 1.781 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264781571 204149249 /nfs/dbraw/zinc/14/92/49/204149249.db2.gz QVFLFHLOONIBEF-LLVKDONJSA-N 1 1 309.326 1.161 20 5 DDBDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000271731139 209164458 /nfs/dbraw/zinc/16/44/58/209164458.db2.gz MZSCYGMMOWYSQD-AGIUHOORSA-N 1 1 321.377 1.929 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267514987 206119143 /nfs/dbraw/zinc/11/91/43/206119143.db2.gz JZQMYRUNRYZSAO-GFCCVEGCSA-N 1 1 306.366 1.980 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000023695497 182366760 /nfs/dbraw/zinc/36/67/60/182366760.db2.gz CSZFSBICUWURTB-SNVBAGLBSA-N 1 1 321.333 1.994 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000023695497 182366763 /nfs/dbraw/zinc/36/67/63/182366763.db2.gz CSZFSBICUWURTB-SNVBAGLBSA-N 1 1 321.333 1.994 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171694597 248323339 /nfs/dbraw/zinc/32/33/39/248323339.db2.gz NRLGFJOABQUVQI-YPMHNXCESA-N 1 1 312.391 1.772 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021460 307300962 /nfs/dbraw/zinc/30/09/62/307300962.db2.gz OBYSYWSVYKWLTO-JHJVBQTASA-N 1 1 310.350 1.180 20 5 DDBDMO Cc1nn(C)c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000301307841 248823230 /nfs/dbraw/zinc/82/32/30/248823230.db2.gz ZYQSKKFDPZYRBL-ZDUSSCGKSA-N 1 1 323.397 1.185 20 5 DDBDMO CCOc1cccc(NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000273864024 211123947 /nfs/dbraw/zinc/12/39/47/211123947.db2.gz MXSPDKIUZDTJIL-LBPRGKRZSA-N 1 1 308.382 1.651 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159761299 197362319 /nfs/dbraw/zinc/36/23/19/197362319.db2.gz NIQGWEBYTZZXPW-UHFFFAOYSA-N 1 1 315.333 1.106 20 5 DDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000159761299 197362323 /nfs/dbraw/zinc/36/23/23/197362323.db2.gz NIQGWEBYTZZXPW-UHFFFAOYSA-N 1 1 315.333 1.106 20 5 DDBDMO C[C@@H](CO)[N@@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339116766 250301386 /nfs/dbraw/zinc/30/13/86/250301386.db2.gz BCWQEHFEBFOJOR-LBPRGKRZSA-N 1 1 309.366 1.189 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339116766 250301388 /nfs/dbraw/zinc/30/13/88/250301388.db2.gz BCWQEHFEBFOJOR-LBPRGKRZSA-N 1 1 309.366 1.189 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110993486 194379558 /nfs/dbraw/zinc/37/95/58/194379558.db2.gz MOQSWZAKBIBYSD-LBPRGKRZSA-N 1 1 323.397 1.517 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268926150 207094162 /nfs/dbraw/zinc/09/41/62/207094162.db2.gz LATQRQIPUFYPQG-SNVBAGLBSA-N 1 1 303.322 1.618 20 5 DDBDMO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057707198 184048359 /nfs/dbraw/zinc/04/83/59/184048359.db2.gz HQHWSDGEAUWCDK-LBPRGKRZSA-N 1 1 321.377 1.963 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000119661137 195012454 /nfs/dbraw/zinc/01/24/54/195012454.db2.gz UPSUEYMETZPXJQ-SNVBAGLBSA-N 1 1 307.354 1.075 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119824514 195044036 /nfs/dbraw/zinc/04/40/36/195044036.db2.gz QZMTUWRTODWFRX-LBPRGKRZSA-N 1 1 323.397 1.344 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451893737 285221255 /nfs/dbraw/zinc/22/12/55/285221255.db2.gz CEORIJNSUGDCLN-HNNXBMFYSA-N 1 1 307.350 1.259 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000289673052 221144748 /nfs/dbraw/zinc/14/47/48/221144748.db2.gz GHSXFHDSIRXWMR-UHFFFAOYSA-N 1 1 323.397 1.600 20 5 DDBDMO CN(CCCNC(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289673052 221144751 /nfs/dbraw/zinc/14/47/51/221144751.db2.gz GHSXFHDSIRXWMR-UHFFFAOYSA-N 1 1 323.397 1.600 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419317801 533220790 /nfs/dbraw/zinc/22/07/90/533220790.db2.gz APMDUYWKCNIWBP-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294939663 224325529 /nfs/dbraw/zinc/32/55/29/224325529.db2.gz CCWLTWPMDCNIPW-OAHLLOKOSA-N 1 1 308.334 1.606 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414216446 224313373 /nfs/dbraw/zinc/31/33/73/224313373.db2.gz VOCBWXZCJMFMMA-GFCCVEGCSA-N 1 1 321.377 1.849 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000121607170 195316482 /nfs/dbraw/zinc/31/64/82/195316482.db2.gz WFSSREXUQKGFRQ-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000114352109 407563944 /nfs/dbraw/zinc/56/39/44/407563944.db2.gz BGCHSGBIJSZRPK-UHFFFAOYSA-N 1 1 309.370 1.195 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000090458482 407166147 /nfs/dbraw/zinc/16/61/47/407166147.db2.gz AZIPGFODBMBENO-CABCVRRESA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000090458482 407166151 /nfs/dbraw/zinc/16/61/51/407166151.db2.gz AZIPGFODBMBENO-CABCVRRESA-N 1 1 319.361 1.578 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122383761 407298972 /nfs/dbraw/zinc/29/89/72/407298972.db2.gz HLLLRBSUBOLHMP-NSHDSACASA-N 1 1 309.370 1.323 20 5 DDBDMO C[N@@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000104574730 407351494 /nfs/dbraw/zinc/35/14/94/407351494.db2.gz PBNYEJBBEIFIBR-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283669 407335912 /nfs/dbraw/zinc/33/59/12/407335912.db2.gz ROGFRWFIJNZMQZ-CHWSQXEVSA-N 1 1 321.377 1.950 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108335416 407383787 /nfs/dbraw/zinc/38/37/87/407383787.db2.gz DXAOHONTHQNMBJ-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[N@@H+](CCn1cccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111283781 407406289 /nfs/dbraw/zinc/40/62/89/407406289.db2.gz MEZJVBQOJXDIDU-AWEZNQCLSA-N 1 1 320.349 1.163 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c2c(c1)COCO2 ZINC000111320671 407407442 /nfs/dbraw/zinc/40/74/42/407407442.db2.gz QYOZDSPJCPQLGA-NNQSOWQGSA-N 1 1 320.345 1.949 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c2c(c1)COCO2 ZINC000111320671 407407444 /nfs/dbraw/zinc/40/74/44/407407444.db2.gz QYOZDSPJCPQLGA-NNQSOWQGSA-N 1 1 320.345 1.949 20 5 DDBDMO NC(=O)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000111687123 407414250 /nfs/dbraw/zinc/41/42/50/407414250.db2.gz VFYWLNOEKAKJTM-UHFFFAOYSA-N 1 1 308.338 1.060 20 5 DDBDMO NC(=O)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000111687123 407414252 /nfs/dbraw/zinc/41/42/52/407414252.db2.gz VFYWLNOEKAKJTM-UHFFFAOYSA-N 1 1 308.338 1.060 20 5 DDBDMO CC1(C)C[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000170629429 407460689 /nfs/dbraw/zinc/46/06/89/407460689.db2.gz XVFGCRWSCUNURL-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO CC1(C)C[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000170629429 407460695 /nfs/dbraw/zinc/46/06/95/407460695.db2.gz XVFGCRWSCUNURL-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171750435 407756953 /nfs/dbraw/zinc/75/69/53/407756953.db2.gz SRJIUVTUWHZDJJ-GFCCVEGCSA-N 1 1 306.366 1.736 20 5 DDBDMO CC(C)COC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140523 407763504 /nfs/dbraw/zinc/76/35/04/407763504.db2.gz UARRHIGTNAZYDN-CQSZACIVSA-N 1 1 308.378 1.986 20 5 DDBDMO CC(C)COC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140523 407763510 /nfs/dbraw/zinc/76/35/10/407763510.db2.gz UARRHIGTNAZYDN-CQSZACIVSA-N 1 1 308.378 1.986 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+](CCC)CC2)c1[N+](=O)[O-] ZINC000171805471 407771495 /nfs/dbraw/zinc/77/14/95/407771495.db2.gz JZWIAFGTOURUAS-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+](CCC)CC2)c1[N+](=O)[O-] ZINC000171805471 407771500 /nfs/dbraw/zinc/77/15/00/407771500.db2.gz JZWIAFGTOURUAS-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262250389 407775168 /nfs/dbraw/zinc/77/51/68/407775168.db2.gz IQLDWVVWZUDBJI-LBPRGKRZSA-N 1 1 313.379 1.357 20 5 DDBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272493317 407946586 /nfs/dbraw/zinc/94/65/86/407946586.db2.gz CPQSZZCAQHMBKT-HZMBPMFUSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272493317 407946590 /nfs/dbraw/zinc/94/65/90/407946590.db2.gz CPQSZZCAQHMBKT-HZMBPMFUSA-N 1 1 305.334 1.467 20 5 DDBDMO CC[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826623 407949566 /nfs/dbraw/zinc/94/95/66/407949566.db2.gz SJKMUHDUJNXTHX-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118841685 407955448 /nfs/dbraw/zinc/95/54/48/407955448.db2.gz QYRZSNAMWDHHRW-ZDUSSCGKSA-N 1 1 320.393 1.807 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000119414029 408062638 /nfs/dbraw/zinc/06/26/38/408062638.db2.gz NZJZCCLVOOQJKR-GFCCVEGCSA-N 1 1 320.393 1.885 20 5 DDBDMO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136222866 408090119 /nfs/dbraw/zinc/09/01/19/408090119.db2.gz RPCMQAWIZYEADS-GHMZBOCLSA-N 1 1 309.370 1.416 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000245725484 408054888 /nfs/dbraw/zinc/05/48/88/408054888.db2.gz BNGSIJQWKLOQOQ-NXEZZACHSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000245725484 408054895 /nfs/dbraw/zinc/05/48/95/408054895.db2.gz BNGSIJQWKLOQOQ-NXEZZACHSA-N 1 1 311.338 1.243 20 5 DDBDMO CC[N@@H+](CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000263731979 408230174 /nfs/dbraw/zinc/23/01/74/408230174.db2.gz CPPFYGBOYOYRAS-UHFFFAOYSA-N 1 1 323.397 1.399 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CC2)CC1 ZINC000150989857 408236628 /nfs/dbraw/zinc/23/66/28/408236628.db2.gz LTFCKRHQBVWTDC-UHFFFAOYSA-N 1 1 307.325 1.583 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269394925 408293857 /nfs/dbraw/zinc/29/38/57/408293857.db2.gz MRUDOKGZYJESRZ-LLVKDONJSA-N 1 1 323.397 1.855 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269394925 408293861 /nfs/dbraw/zinc/29/38/61/408293861.db2.gz MRUDOKGZYJESRZ-LLVKDONJSA-N 1 1 323.397 1.855 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269394925 408293866 /nfs/dbraw/zinc/29/38/66/408293866.db2.gz MRUDOKGZYJESRZ-LLVKDONJSA-N 1 1 323.397 1.855 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccccc2[N+](=O)[O-])C1 ZINC000131974671 162026801 /nfs/dbraw/zinc/02/68/01/162026801.db2.gz UTDVNQBNUFUOOJ-SNVBAGLBSA-N 1 1 320.378 1.684 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246892724 408361602 /nfs/dbraw/zinc/36/16/02/408361602.db2.gz FHUVDBOOGVKANM-WFASDCNBSA-N 1 1 319.361 1.668 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247229784 408433410 /nfs/dbraw/zinc/43/34/10/408433410.db2.gz CYWCVXRBMAGIBZ-DGCLKSJQSA-N 1 1 323.397 1.288 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191540141 408441957 /nfs/dbraw/zinc/44/19/57/408441957.db2.gz GFPXQLBUJHWENA-GFCCVEGCSA-N 1 1 306.366 1.781 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)C)CC2)n1 ZINC000191759489 408485921 /nfs/dbraw/zinc/48/59/21/408485921.db2.gz FTMCOWWDFJCLBF-UHFFFAOYSA-N 1 1 309.370 1.225 20 5 DDBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccccc1 ZINC000270338985 408493548 /nfs/dbraw/zinc/49/35/48/408493548.db2.gz ZBGUPNRJIBOLBA-YPMHNXCESA-N 1 1 314.349 1.824 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000264456514 408497131 /nfs/dbraw/zinc/49/71/31/408497131.db2.gz DMGOSDSNEXQLDJ-ZDUSSCGKSA-N 1 1 307.350 1.354 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000248042302 408527626 /nfs/dbraw/zinc/52/76/26/408527626.db2.gz TZQOQAHNUPGAFP-IAQYHMDHSA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000248404805 408560653 /nfs/dbraw/zinc/56/06/53/408560653.db2.gz AIGNUCMCBSSGLY-UNQGMJICSA-N 1 1 308.382 1.663 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188574 408573957 /nfs/dbraw/zinc/57/39/57/408573957.db2.gz KFGYOVYWWKQZHJ-CYBMUJFWSA-N 1 1 321.425 1.984 20 5 DDBDMO COCC[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000192742896 408640299 /nfs/dbraw/zinc/64/02/99/408640299.db2.gz MIUWXOPADNWVIN-AATRIKPKSA-N 1 1 319.361 1.399 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000248882296 408654344 /nfs/dbraw/zinc/65/43/44/408654344.db2.gz SOANGTIDZKNTBO-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000270900177 408731077 /nfs/dbraw/zinc/73/10/77/408731077.db2.gz MKEAOHQIRUNWSD-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163658216 408785531 /nfs/dbraw/zinc/78/55/31/408785531.db2.gz HEQZTKKFBGNFQS-WDEREUQCSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251950771 408790347 /nfs/dbraw/zinc/79/03/47/408790347.db2.gz VCEOYVBCGKHQMJ-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188772040 163067193 /nfs/dbraw/zinc/06/71/93/163067193.db2.gz AYZKREJCHTWYGN-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188772040 163067196 /nfs/dbraw/zinc/06/71/96/163067196.db2.gz AYZKREJCHTWYGN-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188792567 163070449 /nfs/dbraw/zinc/07/04/49/163070449.db2.gz PPKAVXKEHMHQJX-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188792567 163070450 /nfs/dbraw/zinc/07/04/50/163070450.db2.gz PPKAVXKEHMHQJX-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189572424 163106110 /nfs/dbraw/zinc/10/61/10/163106110.db2.gz FNXHOTOTDUYEIS-QWHCGFSZSA-N 1 1 307.394 1.790 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000191193504 163176318 /nfs/dbraw/zinc/17/63/18/163176318.db2.gz PKSCBKDNUOYIBF-QMMMGPOBSA-N 1 1 316.155 1.471 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000191485222 163188425 /nfs/dbraw/zinc/18/84/25/163188425.db2.gz QFTDBOVDQYMVIR-UHFFFAOYSA-N 1 1 301.302 1.962 20 5 DDBDMO CNC(=O)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291798441 408925175 /nfs/dbraw/zinc/92/51/75/408925175.db2.gz WXSFWBUKRYNMDH-ZETCQYMHSA-N 1 1 303.265 1.420 20 5 DDBDMO Cc1cc(OCC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281760357 408926051 /nfs/dbraw/zinc/92/60/51/408926051.db2.gz SMXPQEIQVYPGGT-BETUJISGSA-N 1 1 321.377 1.833 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313539 409189635 /nfs/dbraw/zinc/18/96/35/409189635.db2.gz NKOZJWBPKPHLMS-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCCn2cc[nH+]c2C)n1 ZINC000283420857 409152952 /nfs/dbraw/zinc/15/29/52/409152952.db2.gz ASBBVYUVZQHGSN-UHFFFAOYSA-N 1 1 319.321 1.784 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCC[N@H+](C)CCN(C)C)n1 ZINC000289179057 409229422 /nfs/dbraw/zinc/22/94/22/409229422.db2.gz VTOFNWIBLJIXQF-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCCN(C)CC[NH+](C)C)n1 ZINC000289179057 409229425 /nfs/dbraw/zinc/22/94/25/409229425.db2.gz VTOFNWIBLJIXQF-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCC[N@@H+](C)C1 ZINC000279391720 409205209 /nfs/dbraw/zinc/20/52/09/409205209.db2.gz IUUSHJBBLNTUTD-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337181 409294953 /nfs/dbraw/zinc/29/49/53/409294953.db2.gz HNWBZZUDHJAJQV-VBNZEHGJSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337181 409294955 /nfs/dbraw/zinc/29/49/55/409294955.db2.gz HNWBZZUDHJAJQV-VBNZEHGJSA-N 1 1 322.361 1.508 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000284241253 409302817 /nfs/dbraw/zinc/30/28/17/409302817.db2.gz KWWRTCCLNNLOMS-GFCCVEGCSA-N 1 1 318.333 1.959 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000284241253 409302820 /nfs/dbraw/zinc/30/28/20/409302820.db2.gz KWWRTCCLNNLOMS-GFCCVEGCSA-N 1 1 318.333 1.959 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000280403917 409308130 /nfs/dbraw/zinc/30/81/30/409308130.db2.gz HHLRFXONAIUMRH-CQSZACIVSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000280403917 409308133 /nfs/dbraw/zinc/30/81/33/409308133.db2.gz HHLRFXONAIUMRH-CQSZACIVSA-N 1 1 310.350 1.815 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106476 409323128 /nfs/dbraw/zinc/32/31/28/409323128.db2.gz VODZDWMWYRMMNU-QMTHXVAHSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106476 409323129 /nfs/dbraw/zinc/32/31/29/409323129.db2.gz VODZDWMWYRMMNU-QMTHXVAHSA-N 1 1 308.334 1.807 20 5 DDBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285523354 409476857 /nfs/dbraw/zinc/47/68/57/409476857.db2.gz ONTRDWAMKBRDPV-NNQSOWQGSA-N 1 1 320.393 1.314 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000296447471 409562455 /nfs/dbraw/zinc/56/24/55/409562455.db2.gz WWRDHFHUEVHINU-UXIGCNINSA-N 1 1 310.350 1.180 20 5 DDBDMO Cn1cc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000331550290 409626276 /nfs/dbraw/zinc/62/62/76/409626276.db2.gz GTCNBFVPAKGSDX-CQSZACIVSA-N 1 1 304.354 1.752 20 5 DDBDMO Cn1cc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000331550290 409626286 /nfs/dbraw/zinc/62/62/86/409626286.db2.gz GTCNBFVPAKGSDX-CQSZACIVSA-N 1 1 304.354 1.752 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nnnn1CC1CC1 ZINC000349645887 409900899 /nfs/dbraw/zinc/90/08/99/409900899.db2.gz NOPXTEJVLFFGGN-HWKANZROSA-N 1 1 314.349 1.794 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000354580876 409950504 /nfs/dbraw/zinc/95/05/04/409950504.db2.gz DCVPVFAROQESSF-VXGBXAGGSA-N 1 1 319.361 1.960 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351826456 410267504 /nfs/dbraw/zinc/26/75/04/410267504.db2.gz KBFVHADWRBKBPM-HZMBPMFUSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347015228 410315799 /nfs/dbraw/zinc/31/57/99/410315799.db2.gz VYWVSPFFUUZRQY-GFCCVEGCSA-N 1 1 304.350 1.607 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000298626049 410318967 /nfs/dbraw/zinc/31/89/67/410318967.db2.gz DGODCZSNIXGGQS-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CO)C1 ZINC000298626049 410318974 /nfs/dbraw/zinc/31/89/74/410318974.db2.gz DGODCZSNIXGGQS-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO COC(=O)c1cc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)no1 ZINC000351995853 410396163 /nfs/dbraw/zinc/39/61/63/410396163.db2.gz NVVDFVSHMKMFPJ-UHFFFAOYSA-N 1 1 323.309 1.091 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000347354521 410494119 /nfs/dbraw/zinc/49/41/19/410494119.db2.gz BRXKZFUUVMRSGX-BLMSOEDDSA-N 1 1 316.361 1.708 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000347354521 410494124 /nfs/dbraw/zinc/49/41/24/410494124.db2.gz BRXKZFUUVMRSGX-BLMSOEDDSA-N 1 1 316.361 1.708 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000347470434 410569466 /nfs/dbraw/zinc/56/94/66/410569466.db2.gz HTCIXNZKJSVVAA-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCOC1 ZINC000299246229 410580493 /nfs/dbraw/zinc/58/04/93/410580493.db2.gz KLLWCTKJRBVDIQ-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO CS[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330460757 410707916 /nfs/dbraw/zinc/70/79/16/410707916.db2.gz VZQMDXVCVOLYNS-KBPBESRZSA-N 1 1 311.407 1.778 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924337 410734617 /nfs/dbraw/zinc/73/46/17/410734617.db2.gz ZBDOFTHHXBSYOZ-BXKDBHETSA-N 1 1 317.349 1.684 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301539797 410742556 /nfs/dbraw/zinc/74/25/56/410742556.db2.gz NOGWPNLHSPYBIG-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CCOC[C@@H]4C3)c21 ZINC000347866475 410764363 /nfs/dbraw/zinc/76/43/63/410764363.db2.gz OXZPFSQGDLESCB-NSHDSACASA-N 1 1 315.333 1.059 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4CCOC[C@@H]4C3)c21 ZINC000347866475 410764370 /nfs/dbraw/zinc/76/43/70/410764370.db2.gz OXZPFSQGDLESCB-NSHDSACASA-N 1 1 315.333 1.059 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330618870 410833074 /nfs/dbraw/zinc/83/30/74/410833074.db2.gz YUJMBMKAWQWJLW-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000330618870 410833078 /nfs/dbraw/zinc/83/30/78/410833078.db2.gz YUJMBMKAWQWJLW-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330675666 410869821 /nfs/dbraw/zinc/86/98/21/410869821.db2.gz SOFMGYCPAIBAKL-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000343995405 410877443 /nfs/dbraw/zinc/87/74/43/410877443.db2.gz QISFDSGASFYJDQ-KSZJFAHPSA-N 1 1 322.361 1.037 20 5 DDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330603271 410817461 /nfs/dbraw/zinc/81/74/61/410817461.db2.gz FVUUOFNFXQQKCX-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330603271 410817468 /nfs/dbraw/zinc/81/74/68/410817468.db2.gz FVUUOFNFXQQKCX-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331078762 410935572 /nfs/dbraw/zinc/93/55/72/410935572.db2.gz XSHOKWZAIFLAMY-NSHDSACASA-N 1 1 309.370 1.067 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331078762 410935578 /nfs/dbraw/zinc/93/55/78/410935578.db2.gz XSHOKWZAIFLAMY-NSHDSACASA-N 1 1 309.370 1.067 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341242898 410961147 /nfs/dbraw/zinc/96/11/47/410961147.db2.gz XMZCJYDKTSSBKO-ZDUSSCGKSA-N 1 1 320.393 1.873 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344240689 411049067 /nfs/dbraw/zinc/04/90/67/411049067.db2.gz QZQIAFGPNFSLST-LBPRGKRZSA-N 1 1 311.313 1.184 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360221015 411105855 /nfs/dbraw/zinc/10/58/55/411105855.db2.gz CKHJPGCUOBCYFM-RRFJBIMHSA-N 1 1 309.410 1.766 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756843 416562025 /nfs/dbraw/zinc/56/20/25/416562025.db2.gz WXUHWAPJSSCJHP-HBNTYKKESA-N 1 1 306.370 1.134 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776089 226220229 /nfs/dbraw/zinc/22/02/29/226220229.db2.gz PYVCSRWNPPBLFU-AWEZNQCLSA-N 1 1 323.349 1.746 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366295036 418453107 /nfs/dbraw/zinc/45/31/07/418453107.db2.gz PTQVWUVAGRYZJA-FZMZJTMJSA-N 1 1 304.350 1.546 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000366571586 418492183 /nfs/dbraw/zinc/49/21/83/418492183.db2.gz XVCOUZARXKHXIS-CDBNLRSOSA-N 1 1 315.329 1.203 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366810979 418520824 /nfs/dbraw/zinc/52/08/24/418520824.db2.gz QQKQLROFQGJROF-HONMWMINSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366810979 418520826 /nfs/dbraw/zinc/52/08/26/418520826.db2.gz QQKQLROFQGJROF-HONMWMINSA-N 1 1 305.334 1.245 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000191633056 222106537 /nfs/dbraw/zinc/10/65/37/222106537.db2.gz YSHDXJJSJXCBME-RYUDHWBXSA-N 1 1 323.397 1.614 20 5 DDBDMO O=C(CC[NH+]1CC(O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000375469368 418643935 /nfs/dbraw/zinc/64/39/35/418643935.db2.gz NKKLAFBUHVSIQJ-UHFFFAOYSA-N 1 1 305.334 1.380 20 5 DDBDMO COCCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000375581096 418658332 /nfs/dbraw/zinc/65/83/32/418658332.db2.gz ADLLGSZFZXRGDT-UHFFFAOYSA-N 1 1 300.384 1.600 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000386741907 418740947 /nfs/dbraw/zinc/74/09/47/418740947.db2.gz XUPHWKGYNWYNRS-LLVKDONJSA-N 1 1 318.757 1.566 20 5 DDBDMO Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364933219 418825406 /nfs/dbraw/zinc/82/54/06/418825406.db2.gz LPDWGZWUWJIPAA-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCN2 ZINC000365542875 418872929 /nfs/dbraw/zinc/87/29/29/418872929.db2.gz CBCZIJHOAXOHMA-VXGBXAGGSA-N 1 1 318.377 1.838 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929419 419361975 /nfs/dbraw/zinc/36/19/75/419361975.db2.gz BJNRJJAFFNBGPT-RDBSUJKOSA-N 1 1 324.377 1.285 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420940665 419371164 /nfs/dbraw/zinc/37/11/64/419371164.db2.gz NAVSSGOONGCSGG-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420940665 419371170 /nfs/dbraw/zinc/37/11/70/419371170.db2.gz NAVSSGOONGCSGG-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO COC(=O)[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411915077 419484935 /nfs/dbraw/zinc/48/49/35/419484935.db2.gz YKZSOAJELPFRAR-NSHDSACASA-N 1 1 313.379 1.193 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CCO)o2)cc1 ZINC000426256677 419421504 /nfs/dbraw/zinc/42/15/04/419421504.db2.gz SWYYZTBPPXFLKX-LBPRGKRZSA-N 1 1 318.333 1.992 20 5 DDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420990899 419428146 /nfs/dbraw/zinc/42/81/46/419428146.db2.gz VHKSAUJAGDGPQO-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1C ZINC000421000184 419435598 /nfs/dbraw/zinc/43/55/98/419435598.db2.gz KANZSJACSKSMHN-LSDHHAIUSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000184 419435605 /nfs/dbraw/zinc/43/56/05/419435605.db2.gz KANZSJACSKSMHN-LSDHHAIUSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000184 419435616 /nfs/dbraw/zinc/43/56/16/419435616.db2.gz KANZSJACSKSMHN-LSDHHAIUSA-N 1 1 323.393 1.361 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]12CCOC2 ZINC000421010949 419445857 /nfs/dbraw/zinc/44/58/57/419445857.db2.gz DBFUSZYEFKYTHY-SWLSCSKDSA-N 1 1 308.334 1.199 20 5 DDBDMO Cc1nn(CCC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000421705521 419689643 /nfs/dbraw/zinc/68/96/43/419689643.db2.gz RMSZUXAVNIRYFN-ZDUSSCGKSA-N 1 1 323.397 1.351 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000299504316 229162686 /nfs/dbraw/zinc/16/26/86/229162686.db2.gz LMZDZFUBGKDLBD-GFCCVEGCSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529274 229184561 /nfs/dbraw/zinc/18/45/61/229184561.db2.gz LJMHPMTVSDYRGR-NXEZZACHSA-N 1 1 309.370 1.477 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416296636 420312488 /nfs/dbraw/zinc/31/24/88/420312488.db2.gz OHTONMABVRRVDZ-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416296636 420312491 /nfs/dbraw/zinc/31/24/91/420312491.db2.gz OHTONMABVRRVDZ-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000439696151 420531605 /nfs/dbraw/zinc/53/16/05/420531605.db2.gz MVLMLJCUSXGIHU-LBPRGKRZSA-N 1 1 323.397 1.867 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080880 420605024 /nfs/dbraw/zinc/60/50/24/420605024.db2.gz CMKPQCUFLJPDFI-NSHDSACASA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080880 420605026 /nfs/dbraw/zinc/60/50/26/420605026.db2.gz CMKPQCUFLJPDFI-NSHDSACASA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080880 420605030 /nfs/dbraw/zinc/60/50/30/420605030.db2.gz CMKPQCUFLJPDFI-NSHDSACASA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000450955072 420568655 /nfs/dbraw/zinc/56/86/55/420568655.db2.gz PEQFRNKCTYIOQY-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459657321 420841674 /nfs/dbraw/zinc/84/16/74/420841674.db2.gz FQDQOCPPLVNBHD-ZIAGYGMSSA-N 1 1 319.361 1.257 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456322948 421142293 /nfs/dbraw/zinc/14/22/93/421142293.db2.gz UAHQMTUPQBVIBH-YOGCLGLASA-N 1 1 319.361 1.958 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000560975077 421300607 /nfs/dbraw/zinc/30/06/07/421300607.db2.gz HLYCAGVNMRDIJF-GRYCIOLGSA-N 1 1 321.381 1.795 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000560454440 421266252 /nfs/dbraw/zinc/26/62/52/421266252.db2.gz JCULRKUYILCXSZ-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000560454440 421266253 /nfs/dbraw/zinc/26/62/53/421266253.db2.gz JCULRKUYILCXSZ-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000560454440 421266256 /nfs/dbraw/zinc/26/62/56/421266256.db2.gz JCULRKUYILCXSZ-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO C[N@@H+](C[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000515017674 421472725 /nfs/dbraw/zinc/47/27/25/421472725.db2.gz CUIHFXCNWDGCTE-AWEZNQCLSA-N 1 1 305.378 1.408 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000563822697 421546140 /nfs/dbraw/zinc/54/61/40/421546140.db2.gz LWTBUOGIEBVBCA-LLVKDONJSA-N 1 1 307.350 1.561 20 5 DDBDMO Cn1cc([C@@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000518397987 421652406 /nfs/dbraw/zinc/65/24/06/421652406.db2.gz SLWUCSNKDYYQIM-ZIAGYGMSSA-N 1 1 302.334 1.639 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000558589558 421814892 /nfs/dbraw/zinc/81/48/92/421814892.db2.gz LCVBNUQQZWMLHE-JTQLQIEISA-N 1 1 307.354 1.231 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594360255 422346007 /nfs/dbraw/zinc/34/60/07/422346007.db2.gz LWADTVMDQFOPTC-JTQLQIEISA-N 1 1 309.370 1.422 20 5 DDBDMO Nc1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000596163552 422369489 /nfs/dbraw/zinc/36/94/89/422369489.db2.gz WSDBATKSDYJRSP-QWHCGFSZSA-N 1 1 321.381 1.627 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600271913 422409722 /nfs/dbraw/zinc/40/97/22/422409722.db2.gz JZBAJWASLKPXID-SECBINFHSA-N 1 1 307.306 1.148 20 5 DDBDMO CNC(=O)[C@@H](CCSC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342320393 271375757 /nfs/dbraw/zinc/37/57/57/271375757.db2.gz VJIGHCJYKHIXEW-SECBINFHSA-N 1 1 303.409 1.614 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153858854 273747710 /nfs/dbraw/zinc/74/77/10/273747710.db2.gz GMKYJQBZKXGILH-LLVKDONJSA-N 1 1 314.773 1.536 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000413480990 274017147 /nfs/dbraw/zinc/01/71/47/274017147.db2.gz WAJAJSNZSVVVKH-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285554526 274055129 /nfs/dbraw/zinc/05/51/29/274055129.db2.gz GRTBLGXOKCSKQB-NSHDSACASA-N 1 1 307.350 1.451 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285554526 274055132 /nfs/dbraw/zinc/05/51/32/274055132.db2.gz GRTBLGXOKCSKQB-NSHDSACASA-N 1 1 307.350 1.451 20 5 DDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C)CC1 ZINC000295255453 274140447 /nfs/dbraw/zinc/14/04/47/274140447.db2.gz HCWNPCZYSGYYFA-UHFFFAOYSA-N 1 1 302.334 1.903 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266693386 277080056 /nfs/dbraw/zinc/08/00/56/277080056.db2.gz FIZNFKSRMGEBJX-ZDUSSCGKSA-N 1 1 306.366 1.531 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000357972101 299037514 /nfs/dbraw/zinc/03/75/14/299037514.db2.gz HZQPWHBNDBSDOH-JTQLQIEISA-N 1 1 318.308 1.673 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000362072667 300000316 /nfs/dbraw/zinc/00/03/16/300000316.db2.gz PLYQHHQFKHGCMC-NEPJUHHUSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000362072667 300000319 /nfs/dbraw/zinc/00/03/19/300000319.db2.gz PLYQHHQFKHGCMC-NEPJUHHUSA-N 1 1 307.350 1.402 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362279587 300042865 /nfs/dbraw/zinc/04/28/65/300042865.db2.gz HQQQUWXEYODFOY-RNCFNFMXSA-N 1 1 322.340 1.482 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000362659117 300111554 /nfs/dbraw/zinc/11/15/54/300111554.db2.gz UVQJIEWVWTXZFE-LLVKDONJSA-N 1 1 309.370 1.018 20 5 DDBDMO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000363305885 300248771 /nfs/dbraw/zinc/24/87/71/300248771.db2.gz UNPPXEBNRRDBIT-HOTGVXAUSA-N 1 1 317.389 1.475 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019288 301120111 /nfs/dbraw/zinc/12/01/11/301120111.db2.gz XLGWVRMUWQDWJT-UONOGXRCSA-N 1 1 323.397 1.149 20 5 DDBDMO COc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000375845417 302003094 /nfs/dbraw/zinc/00/30/94/302003094.db2.gz GQMCKSGICPSARG-JTQLQIEISA-N 1 1 311.313 1.263 20 5 DDBDMO COc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000375845417 302003096 /nfs/dbraw/zinc/00/30/96/302003096.db2.gz GQMCKSGICPSARG-JTQLQIEISA-N 1 1 311.313 1.263 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000378310172 302310384 /nfs/dbraw/zinc/31/03/84/302310384.db2.gz UHKFMKLURDJEOO-RYUDHWBXSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@@H+]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000378310172 302310388 /nfs/dbraw/zinc/31/03/88/302310388.db2.gz UHKFMKLURDJEOO-RYUDHWBXSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000378310172 302310389 /nfs/dbraw/zinc/31/03/89/302310389.db2.gz UHKFMKLURDJEOO-RYUDHWBXSA-N 1 1 315.333 1.146 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CCOCC1 ZINC000532988761 303303658 /nfs/dbraw/zinc/30/36/58/303303658.db2.gz ZPMCRSCGYXDCBZ-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CC1(C)C[NH+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553555810 303679039 /nfs/dbraw/zinc/67/90/39/303679039.db2.gz CIFVVHIZDYPUMM-UHFFFAOYSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1CO ZINC000362089714 307013869 /nfs/dbraw/zinc/01/38/69/307013869.db2.gz VLDCSMQGTXSQKD-ZYHUDNBSSA-N 1 1 318.333 1.705 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182778 307060702 /nfs/dbraw/zinc/06/07/02/307060702.db2.gz IQJICXBJMOYVQU-RYUDHWBXSA-N 1 1 318.377 1.842 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)n2)cc1 ZINC000366443807 307073945 /nfs/dbraw/zinc/07/39/45/307073945.db2.gz UGVJRKALXNBACU-ITGUQSILSA-N 1 1 316.317 1.315 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)n2)cc1 ZINC000366443807 307073946 /nfs/dbraw/zinc/07/39/46/307073946.db2.gz UGVJRKALXNBACU-ITGUQSILSA-N 1 1 316.317 1.315 20 5 DDBDMO Cn1nccc1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367251989 307089882 /nfs/dbraw/zinc/08/98/82/307089882.db2.gz KGQMPTCMFRULJQ-ZDUSSCGKSA-N 1 1 304.354 1.404 20 5 DDBDMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000367423454 307092939 /nfs/dbraw/zinc/09/29/39/307092939.db2.gz SPWAPIZGZFLTRL-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CNC(=O)C[N@H+]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000367423454 307092940 /nfs/dbraw/zinc/09/29/40/307092940.db2.gz SPWAPIZGZFLTRL-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CNC(=O)CN1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000367423454 307092941 /nfs/dbraw/zinc/09/29/41/307092941.db2.gz SPWAPIZGZFLTRL-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CNC(=O)CN1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000367423454 307092942 /nfs/dbraw/zinc/09/29/42/307092942.db2.gz SPWAPIZGZFLTRL-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[NH+]([C@H]3CCOC3)CC2)nc2sccn21 ZINC000372932187 307177054 /nfs/dbraw/zinc/17/70/54/307177054.db2.gz WLVBIMJZOOGMDV-JTQLQIEISA-N 1 1 323.378 1.215 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373907797 307198019 /nfs/dbraw/zinc/19/80/19/307198019.db2.gz GQMQEIDHNYGMMN-GDBMZVCRSA-N 1 1 322.361 1.181 20 5 DDBDMO C[C@H]1COCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327763 307205901 /nfs/dbraw/zinc/20/59/01/307205901.db2.gz IORIEYDAQSQEDX-IUODEOHRSA-N 1 1 319.361 1.668 20 5 DDBDMO C[C@H]1COCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327763 307205902 /nfs/dbraw/zinc/20/59/02/307205902.db2.gz IORIEYDAQSQEDX-IUODEOHRSA-N 1 1 319.361 1.668 20 5 DDBDMO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374868283 307214865 /nfs/dbraw/zinc/21/48/65/307214865.db2.gz JZIHTOUKQAOYTN-GFCCVEGCSA-N 1 1 322.340 1.724 20 5 DDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374868283 307214866 /nfs/dbraw/zinc/21/48/66/307214866.db2.gz JZIHTOUKQAOYTN-GFCCVEGCSA-N 1 1 322.340 1.724 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)o2)cc1 ZINC000376897807 307258333 /nfs/dbraw/zinc/25/83/33/307258333.db2.gz STXIZYIYLVVILL-KGLIPLIRSA-N 1 1 318.329 1.782 20 5 DDBDMO C[C@@H](CCN(C)C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460676 308316032 /nfs/dbraw/zinc/31/60/32/308316032.db2.gz XDXVCNRKCMJCMO-GXTWGEPZSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@@H](CC[NH+](C)C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460676 308316034 /nfs/dbraw/zinc/31/60/34/308316034.db2.gz XDXVCNRKCMJCMO-GXTWGEPZSA-N 1 1 311.382 1.264 20 5 DDBDMO CCn1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000577842381 308417630 /nfs/dbraw/zinc/41/76/30/308417630.db2.gz UAGWMWADFSOKLH-CQSZACIVSA-N 1 1 320.349 1.341 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582367943 326020846 /nfs/dbraw/zinc/02/08/46/326020846.db2.gz NJISUZKRKDJBQY-OAHLLOKOSA-N 1 1 307.394 1.872 20 5 DDBDMO CC[NH+]1CCC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000582379075 326023104 /nfs/dbraw/zinc/02/31/04/326023104.db2.gz CMARLPFMIZMKFM-UHFFFAOYSA-N 1 1 307.350 1.762 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000488809132 484220465 /nfs/dbraw/zinc/22/04/65/484220465.db2.gz SXAZSOFZCYXMOS-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954387 500785896 /nfs/dbraw/zinc/78/58/96/500785896.db2.gz MMZGEIXVVCUSKK-WDEREUQCSA-N 1 1 318.377 1.992 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000434749435 533825693 /nfs/dbraw/zinc/82/56/93/533825693.db2.gz RYOVJDIJSPTPEN-HNNXBMFYSA-N 1 1 305.334 1.315 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154597613 526891838 /nfs/dbraw/zinc/89/18/38/526891838.db2.gz IDWQGOLMSMBWTE-LLVKDONJSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000154597613 526891840 /nfs/dbraw/zinc/89/18/40/526891840.db2.gz IDWQGOLMSMBWTE-LLVKDONJSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000154597613 526891845 /nfs/dbraw/zinc/89/18/45/526891845.db2.gz IDWQGOLMSMBWTE-LLVKDONJSA-N 1 1 321.381 1.845 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000035368066 696128587 /nfs/dbraw/zinc/12/85/87/696128587.db2.gz PRGQZXFWVASXNX-VIFPVBQESA-N 1 1 304.755 1.525 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000045490803 696174760 /nfs/dbraw/zinc/17/47/60/696174760.db2.gz WDHUWEOLYASZDZ-UHFFFAOYSA-N 1 1 320.393 1.827 20 5 DDBDMO CC(=O)OC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000156885331 696969760 /nfs/dbraw/zinc/96/97/60/696969760.db2.gz QXGJHRMBCILERU-UHFFFAOYSA-N 1 1 318.333 1.930 20 5 DDBDMO COc1ccccc1OCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157742441 696981055 /nfs/dbraw/zinc/98/10/55/696981055.db2.gz QBIVRAIMCXIKFF-UHFFFAOYSA-N 1 1 320.349 1.811 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000157907008 696982569 /nfs/dbraw/zinc/98/25/69/696982569.db2.gz QSWSDVLYGBYIRR-OCCSQVGLSA-N 1 1 305.382 1.698 20 5 DDBDMO [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000262029357 698451112 /nfs/dbraw/zinc/45/11/12/698451112.db2.gz NWCIBXVFWBSOLY-OAHLLOKOSA-N 1 1 320.393 1.414 20 5 DDBDMO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000262029357 698451113 /nfs/dbraw/zinc/45/11/13/698451113.db2.gz NWCIBXVFWBSOLY-OAHLLOKOSA-N 1 1 320.393 1.414 20 5 DDBDMO C[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781561389 698630951 /nfs/dbraw/zinc/63/09/51/698630951.db2.gz LCEYHXUYNKJLHN-UHFFFAOYSA-N 1 1 322.321 1.210 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)o2)cc1 ZINC000782623104 698753388 /nfs/dbraw/zinc/75/33/88/698753388.db2.gz YMBJTAVHAWPJJX-ABAIWWIYSA-N 1 1 316.317 1.459 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)o2)cc1 ZINC000782623104 698753391 /nfs/dbraw/zinc/75/33/91/698753391.db2.gz YMBJTAVHAWPJJX-ABAIWWIYSA-N 1 1 316.317 1.459 20 5 DDBDMO COc1cc(C(=O)OCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000750882865 700253980 /nfs/dbraw/zinc/25/39/80/700253980.db2.gz BHIJZFBSNFWNHV-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783628726 698861662 /nfs/dbraw/zinc/86/16/62/698861662.db2.gz LSDHOPSENFJARQ-LBPRGKRZSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783628726 698861668 /nfs/dbraw/zinc/86/16/68/698861668.db2.gz LSDHOPSENFJARQ-LBPRGKRZSA-N 1 1 312.801 1.584 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789773062 699407809 /nfs/dbraw/zinc/40/78/09/699407809.db2.gz OFDHXLDMPNYZQZ-OAHLLOKOSA-N 1 1 322.361 1.790 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3COCCO3)CC2)cc1 ZINC000733302525 699587954 /nfs/dbraw/zinc/58/79/54/699587954.db2.gz YYYMRZVQQZYVFW-OAHLLOKOSA-N 1 1 307.350 1.132 20 5 DDBDMO O=C1O[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC000792282510 699689716 /nfs/dbraw/zinc/68/97/16/699689716.db2.gz UHEZRKUITUWBGV-CYBMUJFWSA-N 1 1 317.345 1.834 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC000792282510 699689717 /nfs/dbraw/zinc/68/97/17/699689717.db2.gz UHEZRKUITUWBGV-CYBMUJFWSA-N 1 1 317.345 1.834 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000736221331 699721099 /nfs/dbraw/zinc/72/10/99/699721099.db2.gz XNBNAOSVTJVGNK-HNNXBMFYSA-N 1 1 319.361 1.124 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741156995 699818496 /nfs/dbraw/zinc/81/84/96/699818496.db2.gz OBCQDEBKESILPH-CYBMUJFWSA-N 1 1 316.741 1.604 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741156995 699818498 /nfs/dbraw/zinc/81/84/98/699818498.db2.gz OBCQDEBKESILPH-CYBMUJFWSA-N 1 1 316.741 1.604 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000741720105 699849104 /nfs/dbraw/zinc/84/91/04/699849104.db2.gz DZIJVNBNCURBSR-MWLCHTKSSA-N 1 1 322.321 1.716 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742197010 699865764 /nfs/dbraw/zinc/86/57/64/699865764.db2.gz OQHUUQRUAQDOAE-SNVBAGLBSA-N 1 1 321.333 1.158 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742197010 699865767 /nfs/dbraw/zinc/86/57/67/699865767.db2.gz OQHUUQRUAQDOAE-SNVBAGLBSA-N 1 1 321.333 1.158 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000743375608 699909794 /nfs/dbraw/zinc/90/97/94/699909794.db2.gz IUQLOXWXVRYZHP-OAHLLOKOSA-N 1 1 315.377 1.955 20 5 DDBDMO C[C@H]1CN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000801600086 700326448 /nfs/dbraw/zinc/32/64/48/700326448.db2.gz LAHKDRZCUYEQMR-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@H]1CN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000801600086 700326452 /nfs/dbraw/zinc/32/64/52/700326452.db2.gz LAHKDRZCUYEQMR-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO Cc1nn(C[N@H+]2CCOC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000753984879 700473721 /nfs/dbraw/zinc/47/37/21/700473721.db2.gz FTYSJQTXAZZMFO-JTQLQIEISA-N 1 1 305.338 1.574 20 5 DDBDMO Cc1nn(C[N@@H+]2CCOC[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000753984879 700473722 /nfs/dbraw/zinc/47/37/22/700473722.db2.gz FTYSJQTXAZZMFO-JTQLQIEISA-N 1 1 305.338 1.574 20 5 DDBDMO C[N@@H+](CCc1cnccn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000770661351 701288746 /nfs/dbraw/zinc/28/87/46/701288746.db2.gz IJBLHUZXGNUKLJ-UHFFFAOYSA-N 1 1 312.333 1.867 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808227730 701509457 /nfs/dbraw/zinc/50/94/57/701509457.db2.gz CVNTUCVBWQKXFN-SNVBAGLBSA-N 1 1 303.322 1.099 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@H]2C1 ZINC000867873613 701806019 /nfs/dbraw/zinc/80/60/19/701806019.db2.gz KBADVLVFPHRIQS-TXEJJXNPSA-N 1 1 307.325 1.296 20 5 DDBDMO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867970146 701863131 /nfs/dbraw/zinc/86/31/31/701863131.db2.gz WWQQIXYKRLNUPJ-ZETOZRRWSA-N 1 1 307.350 1.405 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)n1 ZINC000879244225 706627210 /nfs/dbraw/zinc/62/72/10/706627210.db2.gz PHSWNPLSDZTMLH-HOCLYGCPSA-N 1 1 316.361 1.989 20 5 DDBDMO Cc1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000868363940 702086649 /nfs/dbraw/zinc/08/66/49/702086649.db2.gz ANMBWGOMGJNCHL-UHFFFAOYSA-N 1 1 306.366 1.797 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840458601 702117163 /nfs/dbraw/zinc/11/71/63/702117163.db2.gz CVGROMQSKOONJR-PMOUVXMZSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840458601 702117166 /nfs/dbraw/zinc/11/71/66/702117166.db2.gz CVGROMQSKOONJR-PMOUVXMZSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840458601 702117170 /nfs/dbraw/zinc/11/71/70/702117170.db2.gz CVGROMQSKOONJR-PMOUVXMZSA-N 1 1 303.362 1.431 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000868450301 702135326 /nfs/dbraw/zinc/13/53/26/702135326.db2.gz CIVGFZKTGKXTLZ-MNOVXSKESA-N 1 1 307.325 1.758 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000866205263 706647873 /nfs/dbraw/zinc/64/78/73/706647873.db2.gz KSZXBAMMVLAMDL-WDEREUQCSA-N 1 1 302.338 1.168 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@H]21 ZINC000866207005 706648448 /nfs/dbraw/zinc/64/84/48/706648448.db2.gz NUVVZLLYSJTWOX-VHSXEESVSA-N 1 1 303.322 1.661 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000866214024 706650787 /nfs/dbraw/zinc/65/07/87/706650787.db2.gz GQGJOXSOVJIAAG-UHFFFAOYSA-N 1 1 310.423 1.873 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000817131724 702281695 /nfs/dbraw/zinc/28/16/95/702281695.db2.gz MGMGJLOLNOMNHO-LBPRGKRZSA-N 1 1 306.366 1.485 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000840993623 702305630 /nfs/dbraw/zinc/30/56/30/702305630.db2.gz GZDHDIFORNCUCZ-SNVBAGLBSA-N 1 1 306.278 1.598 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459230 703034243 /nfs/dbraw/zinc/03/42/43/703034243.db2.gz QVQLWFUHUVBVCS-MXWKQRLJSA-N 1 1 314.288 1.531 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846636980 703305963 /nfs/dbraw/zinc/30/59/63/703305963.db2.gz AFPLGTKOLADWOO-NSHDSACASA-N 1 1 309.341 1.877 20 5 DDBDMO COCC[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475248 703554552 /nfs/dbraw/zinc/55/45/52/703554552.db2.gz NSEBBBFSEUROCQ-AWEZNQCLSA-N 1 1 307.350 1.446 20 5 DDBDMO COCC[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475248 703554554 /nfs/dbraw/zinc/55/45/54/703554554.db2.gz NSEBBBFSEUROCQ-AWEZNQCLSA-N 1 1 307.350 1.446 20 5 DDBDMO C[N@@H+]1CC[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582503 703565450 /nfs/dbraw/zinc/56/54/50/703565450.db2.gz MVOWAFRTJONCCP-VIFPVBQESA-N 1 1 315.276 1.387 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582503 703565452 /nfs/dbraw/zinc/56/54/52/703565452.db2.gz MVOWAFRTJONCCP-VIFPVBQESA-N 1 1 315.276 1.387 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848659580 703572901 /nfs/dbraw/zinc/57/29/01/703572901.db2.gz MPSLQAVJWCFHTJ-NEPJUHHUSA-N 1 1 307.350 1.879 20 5 DDBDMO O=C1CC[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844327 703868842 /nfs/dbraw/zinc/86/88/42/703868842.db2.gz VVWGGNHIXBTEKE-JQWIXIFHSA-N 1 1 306.322 1.182 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412703 704037808 /nfs/dbraw/zinc/03/78/08/704037808.db2.gz YDVZQMQTBDHKNW-CABCVRRESA-N 1 1 310.350 1.102 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871154820 704232672 /nfs/dbraw/zinc/23/26/72/704232672.db2.gz KHZYTSGFITUGBE-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871154820 704232674 /nfs/dbraw/zinc/23/26/74/704232674.db2.gz KHZYTSGFITUGBE-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871154820 704232676 /nfs/dbraw/zinc/23/26/76/704232676.db2.gz KHZYTSGFITUGBE-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO O=[N+]([O-])c1c(N2CC(C[NH+]3CCOCC3)C2)nc2ccccn21 ZINC000853640563 704291648 /nfs/dbraw/zinc/29/16/48/704291648.db2.gz LOUAQNYKROBSIV-UHFFFAOYSA-N 1 1 317.349 1.011 20 5 DDBDMO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000855360251 704480691 /nfs/dbraw/zinc/48/06/91/704480691.db2.gz DFCZGCNYHHGSFU-KGLIPLIRSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1ccc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000858612198 704734394 /nfs/dbraw/zinc/73/43/94/704734394.db2.gz ZHMFJUFCKHETKJ-UHFFFAOYSA-N 1 1 304.394 1.587 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000859949002 705051226 /nfs/dbraw/zinc/05/12/26/705051226.db2.gz FQSKEVPPDUWANM-UHFFFAOYSA-N 1 1 305.290 1.722 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850677 705203505 /nfs/dbraw/zinc/20/35/05/705203505.db2.gz VUUDOEHAABRUPN-CABCVRRESA-N 1 1 303.362 1.832 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823968145 705346983 /nfs/dbraw/zinc/34/69/83/705346983.db2.gz LQQULRVXWDDZDC-UHFFFAOYSA-N 1 1 305.338 1.560 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000823968691 705347012 /nfs/dbraw/zinc/34/70/12/705347012.db2.gz YILNUUOTXZECBL-JTQLQIEISA-N 1 1 319.365 1.949 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776603 705729499 /nfs/dbraw/zinc/72/94/99/705729499.db2.gz JUIRMXGUFHTWHE-DZGCQCFKSA-N 1 1 319.361 1.229 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827313253 705973521 /nfs/dbraw/zinc/97/35/21/705973521.db2.gz YVPSQBRDAZHKJP-JQWIXIFHSA-N 1 1 304.350 1.343 20 5 DDBDMO CC(C)(CCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)[N+](=O)[O-] ZINC000827349185 705983070 /nfs/dbraw/zinc/98/30/70/705983070.db2.gz HTEWMFFJSDEHHL-CYBMUJFWSA-N 1 1 315.414 1.175 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828544882 706197157 /nfs/dbraw/zinc/19/71/57/706197157.db2.gz IEXSMBSTXJTECC-CQSZACIVSA-N 1 1 305.334 1.006 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865526845 706455204 /nfs/dbraw/zinc/45/52/04/706455204.db2.gz XBCURQBUPLKVAR-NSHDSACASA-N 1 1 313.329 1.359 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(F)c1 ZINC000880072321 706871036 /nfs/dbraw/zinc/87/10/36/706871036.db2.gz SDUNQPVCIDGBEC-UONOGXRCSA-N 1 1 309.341 1.375 20 5 DDBDMO O=C1CC2(CCC2)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000880170382 706900063 /nfs/dbraw/zinc/90/00/63/706900063.db2.gz JEWNDHZVMRJHPV-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000880170382 706900065 /nfs/dbraw/zinc/90/00/65/706900065.db2.gz JEWNDHZVMRJHPV-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880311479 706937560 /nfs/dbraw/zinc/93/75/60/706937560.db2.gz IDPVNZGVHSDACN-LZWOXQAQSA-N 1 1 319.361 1.038 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880318447 706939504 /nfs/dbraw/zinc/93/95/04/706939504.db2.gz ZEQFUSSTOJCZJY-ZYHUDNBSSA-N 1 1 323.378 1.098 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428830 706972529 /nfs/dbraw/zinc/97/25/29/706972529.db2.gz SLXGGNNUNXYSAF-HUUCEWRRSA-N 1 1 310.350 1.709 20 5 DDBDMO CCOc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000872758219 707587293 /nfs/dbraw/zinc/58/72/93/707587293.db2.gz UUAYRXLPFXQTNH-UONOGXRCSA-N 1 1 321.377 1.639 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779128 707596519 /nfs/dbraw/zinc/59/65/19/707596519.db2.gz MYCHKUCDGUVBFQ-KGLIPLIRSA-N 1 1 304.350 1.367 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)c2)cc1 ZINC000872785308 707600320 /nfs/dbraw/zinc/60/03/20/707600320.db2.gz OXBQGHPVWOVPRJ-GASCZTMLSA-N 1 1 314.345 1.994 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897221126 708259243 /nfs/dbraw/zinc/25/92/43/708259243.db2.gz HMEGXJYBBURCKT-STQMWFEESA-N 1 1 306.366 1.212 20 5 DDBDMO CNC(=O)C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886184189 708711590 /nfs/dbraw/zinc/71/15/90/708711590.db2.gz WGRNZBPTTZMRDT-CQSZACIVSA-N 1 1 314.345 1.957 20 5 DDBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886250006 708725526 /nfs/dbraw/zinc/72/55/26/708725526.db2.gz YHQBNOYWQHKNCP-AWEZNQCLSA-N 1 1 318.377 1.967 20 5 DDBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886250006 708725528 /nfs/dbraw/zinc/72/55/28/708725528.db2.gz YHQBNOYWQHKNCP-AWEZNQCLSA-N 1 1 318.377 1.967 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000886590859 708784064 /nfs/dbraw/zinc/78/40/64/708784064.db2.gz FZOCKLBRXKVZFQ-LBPRGKRZSA-N 1 1 308.382 1.736 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000886590859 708784067 /nfs/dbraw/zinc/78/40/67/708784067.db2.gz FZOCKLBRXKVZFQ-LBPRGKRZSA-N 1 1 308.382 1.736 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1 ZINC000887934158 709170166 /nfs/dbraw/zinc/17/01/66/709170166.db2.gz AXJRATWMHGOBQH-CJNGLKHVSA-N 1 1 303.362 1.927 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911473112 710812855 /nfs/dbraw/zinc/81/28/55/710812855.db2.gz QVOAZVFUMXUAGK-SECBINFHSA-N 1 1 313.304 1.831 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739893 711262477 /nfs/dbraw/zinc/26/24/77/711262477.db2.gz AXMSJKFAXPKWHH-KBPBESRZSA-N 1 1 319.409 1.866 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000894833672 711289481 /nfs/dbraw/zinc/28/94/81/711289481.db2.gz XBPKKMKVJNQPOZ-NSHDSACASA-N 1 1 320.324 1.183 20 5 DDBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894997228 711357474 /nfs/dbraw/zinc/35/74/74/711357474.db2.gz XMDJKAXVXVIKTL-QMMMGPOBSA-N 1 1 324.138 1.986 20 5 DDBDMO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000914300033 713373119 /nfs/dbraw/zinc/37/31/19/713373119.db2.gz HTEHOWVAIWSVAU-PWSUYJOCSA-N 1 1 322.365 1.495 20 5 DDBDMO CCC[N@@H+](CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929526551 713630695 /nfs/dbraw/zinc/63/06/95/713630695.db2.gz SHBQAMDDKSNGEP-LBPRGKRZSA-N 1 1 301.387 1.985 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921336891 713738350 /nfs/dbraw/zinc/73/83/50/713738350.db2.gz ZLTQDTUEILAPKS-AAEUAGOBSA-N 1 1 306.366 1.968 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916136 713958026 /nfs/dbraw/zinc/95/80/26/713958026.db2.gz NJSYFAHHVAZXLF-XUJVJEKNSA-N 1 1 321.377 1.948 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069678 714251852 /nfs/dbraw/zinc/25/18/52/714251852.db2.gz FLGPCAXAEUGFFU-NWANDNLSSA-N 1 1 303.362 1.909 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177895 714279807 /nfs/dbraw/zinc/27/98/07/714279807.db2.gz GBXMZLOQTJFXNC-DOMZBBRYSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177895 714279810 /nfs/dbraw/zinc/27/98/10/714279810.db2.gz GBXMZLOQTJFXNC-DOMZBBRYSA-N 1 1 311.382 1.185 20 5 DDBDMO O=[N+]([O-])c1cccc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923369620 714330435 /nfs/dbraw/zinc/33/04/35/714330435.db2.gz LSDPJGXOWKBUFW-MRXNPFEDSA-N 1 1 317.389 1.938 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000933220914 714540045 /nfs/dbraw/zinc/54/00/45/714540045.db2.gz LWYYLPWRMBHKTJ-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000933220914 714540047 /nfs/dbraw/zinc/54/00/47/714540047.db2.gz LWYYLPWRMBHKTJ-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1F ZINC000934265786 714780010 /nfs/dbraw/zinc/78/00/10/714780010.db2.gz NPMPFAOUQJSPQG-CVEARBPZSA-N 1 1 323.368 1.765 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925317515 714806870 /nfs/dbraw/zinc/80/68/70/714806870.db2.gz MCKAOCIKYMURRK-AAEUAGOBSA-N 1 1 306.366 1.829 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000950056150 720470007 /nfs/dbraw/zinc/47/00/07/720470007.db2.gz UXCHLIVXKCUPSV-HUUCEWRRSA-N 1 1 321.421 1.765 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000601101240 721904299 /nfs/dbraw/zinc/90/42/99/721904299.db2.gz VICQXJUDMWTTFJ-GFCCVEGCSA-N 1 1 310.329 1.430 20 5 DDBDMO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001125400484 733187370 /nfs/dbraw/zinc/18/73/70/733187370.db2.gz AHEIVVOHCQKKIB-UHFFFAOYSA-N 1 1 321.337 1.058 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064037 734368617 /nfs/dbraw/zinc/36/86/17/734368617.db2.gz RXJYMGCZGUEGKS-XJFOESAGSA-N 1 1 307.394 1.469 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001183270342 743813301 /nfs/dbraw/zinc/81/33/01/743813301.db2.gz SRTXBZCHEKJWTA-KSBSHMNSSA-N 1 1 324.255 1.710 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC001184820536 744108356 /nfs/dbraw/zinc/10/83/56/744108356.db2.gz MAMYYVNCMNRJTI-GFCCVEGCSA-N 1 1 309.370 1.019 20 5 DDBDMO COc1ccccc1C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168994067 762168002 /nfs/dbraw/zinc/16/80/02/762168002.db2.gz OLFLAOADKUUQCA-STQMWFEESA-N 1 1 306.362 1.956 20 5 DDBDMO O=C1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038655 762193648 /nfs/dbraw/zinc/19/36/48/762193648.db2.gz JXKLKTISFAUVFU-HZPDHXFCSA-N 1 1 317.389 1.776 20 5 DDBDMO O=C1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038655 762193649 /nfs/dbraw/zinc/19/36/49/762193649.db2.gz JXKLKTISFAUVFU-HZPDHXFCSA-N 1 1 317.389 1.776 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018748 762198920 /nfs/dbraw/zinc/19/89/20/762198920.db2.gz DIQCMSLLZLLXRR-FPMFFAJLSA-N 1 1 308.382 1.411 20 5 DDBDMO CC(=O)NC1(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC001000042565 761469818 /nfs/dbraw/zinc/46/98/18/761469818.db2.gz NIMLJBXKONRRIQ-UHFFFAOYSA-N 1 1 321.381 1.209 20 5 DDBDMO Cc1cncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001086363216 761493149 /nfs/dbraw/zinc/49/31/49/761493149.db2.gz HWJBRIFELFQUPV-NMFUWQPSSA-N 1 1 318.377 1.040 20 5 DDBDMO CCOc1cc([N+](=O)[O-])ccc1-n1[nH]c(=O)c(CC[NH3+])c1C ZINC001170339639 766272880 /nfs/dbraw/zinc/27/28/80/766272880.db2.gz NUAVRLYGQXXKNL-UHFFFAOYSA-N 1 1 306.322 1.694 20 5 DDBDMO Cc1cc(N[C@H](N)CCC[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170897297 771897230 /nfs/dbraw/zinc/89/72/30/771897230.db2.gz LXNCSKFUEFWSON-ZDUSSCGKSA-N 1 1 316.365 1.796 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001093674072 774989351 /nfs/dbraw/zinc/98/93/51/774989351.db2.gz NAOVUUNCPMRPGH-UHFFFAOYSA-N 1 1 308.382 1.772 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001094008757 775325615 /nfs/dbraw/zinc/32/56/15/775325615.db2.gz WZBLDWIXIUVTAC-UHFFFAOYSA-N 1 1 321.312 1.467 20 5 DDBDMO C[N@@H+](CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC001094853519 776503696 /nfs/dbraw/zinc/50/36/96/776503696.db2.gz PSQQRQBHXVLNNB-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001173229364 777062510 /nfs/dbraw/zinc/06/25/10/777062510.db2.gz SVGNDKFKCFUJDU-OAHLLOKOSA-N 1 1 320.437 1.705 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178861626 779214586 /nfs/dbraw/zinc/21/45/86/779214586.db2.gz ZTUYTTYAVOLZMJ-AWEZNQCLSA-N 1 1 321.377 1.820 20 5 DDBDMO CCc1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001179352815 779342024 /nfs/dbraw/zinc/34/20/24/779342024.db2.gz IHVJCYHJYDWMIN-INIZCTEOSA-N 1 1 316.361 1.945 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000069522376 779429890 /nfs/dbraw/zinc/42/98/90/779429890.db2.gz FKJNAJZBFJHZQX-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001116023054 780467338 /nfs/dbraw/zinc/46/73/38/780467338.db2.gz IFPBJSVEGANQOS-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001116023054 780467343 /nfs/dbraw/zinc/46/73/43/780467343.db2.gz IFPBJSVEGANQOS-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001117779029 780899454 /nfs/dbraw/zinc/89/94/54/780899454.db2.gz DOLLWPRZDBVBJH-IINYFYTJSA-N 1 1 304.350 1.413 20 5 DDBDMO Cc1cnc(N2CCN(c3[nH+]cccc3N)CC2)c([N+](=O)[O-])c1 ZINC001154782017 861447946 /nfs/dbraw/zinc/44/79/46/861447946.db2.gz BYNGCCCINPCDQW-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO Nc1c(C(=O)NCc2c[nH+]c3n2CCC3)cccc1[N+](=O)[O-] ZINC001154937966 861584888 /nfs/dbraw/zinc/58/48/88/861584888.db2.gz YCNZASMXLJCYDN-UHFFFAOYSA-N 1 1 301.306 1.250 20 5 DDBDMO CC[C@H]1[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021514 850518676 /nfs/dbraw/zinc/51/86/76/850518676.db2.gz LGKQCJPNRMFIDS-KQTLUZQSSA-N 1 1 309.410 1.955 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001124088465 859571609 /nfs/dbraw/zinc/57/16/09/859571609.db2.gz UWTJSHZIGRYCQP-HZSPNIEDSA-N 1 1 303.362 1.973 20 5 DDBDMO C[N@@H+](C1CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1)[C@H]1CCOC1 ZINC001158731268 864864621 /nfs/dbraw/zinc/86/46/21/864864621.db2.gz JDYGINPHFZQFQL-JTQLQIEISA-N 1 1 312.757 1.553 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001160152791 865702395 /nfs/dbraw/zinc/70/23/95/865702395.db2.gz GJVWUGCKOLYUEC-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ncccc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001225598945 881931730 /nfs/dbraw/zinc/93/17/30/881931730.db2.gz ZIZGTCBQTXCPES-VTPLQMEGSA-N 1 1 321.333 1.535 20 5 DDBDMO O=C(NCC[N@@H+](CCF)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323708371 866786834 /nfs/dbraw/zinc/78/68/34/866786834.db2.gz GLKNWAKADCKWFC-ZIAGYGMSSA-N 1 1 315.389 1.762 20 5 DDBDMO O=C(NCC[N@H+](CCF)C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001323708371 866786848 /nfs/dbraw/zinc/78/68/48/866786848.db2.gz GLKNWAKADCKWFC-ZIAGYGMSSA-N 1 1 315.389 1.762 20 5 DDBDMO O=C(NCC[N@@H+](CCF)C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001323708371 866786861 /nfs/dbraw/zinc/78/68/61/866786861.db2.gz GLKNWAKADCKWFC-ZIAGYGMSSA-N 1 1 315.389 1.762 20 5 DDBDMO C[N@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001162336430 867467103 /nfs/dbraw/zinc/46/71/03/867467103.db2.gz BILCWSLBRWGOKN-GFCCVEGCSA-N 1 1 300.746 1.778 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335116691 868075588 /nfs/dbraw/zinc/07/55/88/868075588.db2.gz JMWMXWUYEKKRKK-CHWSQXEVSA-N 1 1 309.341 1.769 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@](C)(CO)C2)ncc1[N+](=O)[O-] ZINC001164147032 868971703 /nfs/dbraw/zinc/97/17/03/868971703.db2.gz KURRGAUPYLRCJQ-CSPWOOARSA-N 1 1 306.366 1.731 20 5 DDBDMO NC(=O)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336722630 869109122 /nfs/dbraw/zinc/10/91/22/869109122.db2.gz LDSOAJAYSIVSNB-HUUCEWRRSA-N 1 1 315.329 1.444 20 5 DDBDMO [NH3+][C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC001164319868 869124274 /nfs/dbraw/zinc/12/42/74/869124274.db2.gz RKENWRITLYKCET-LLVKDONJSA-N 1 1 309.276 1.711 20 5 DDBDMO [NH3+]CCONc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001164424154 869187068 /nfs/dbraw/zinc/18/70/68/869187068.db2.gz PADKLQYHTPGTJS-UHFFFAOYSA-N 1 1 304.306 1.871 20 5 DDBDMO Cc1c(C)c(N2CC([N@H+](C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165205908 869431906 /nfs/dbraw/zinc/43/19/06/869431906.db2.gz XVHIZNLWPLUEHA-GFCCVEGCSA-N 1 1 306.366 1.516 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001166032761 869808676 /nfs/dbraw/zinc/80/86/76/869808676.db2.gz SBWAJNKDTQEGNZ-UHFFFAOYSA-N 1 1 305.338 1.624 20 5 DDBDMO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001338363166 869947165 /nfs/dbraw/zinc/94/71/65/869947165.db2.gz PFVBFSKYOMJXIH-INIZCTEOSA-N 1 1 301.346 1.923 20 5 DDBDMO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553537 870042976 /nfs/dbraw/zinc/04/29/76/870042976.db2.gz XUEVENUQZRSYCN-RRFJBIMHSA-N 1 1 307.394 1.947 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226367156 882386952 /nfs/dbraw/zinc/38/69/52/882386952.db2.gz VIEQEDHSLGNBCN-WHGOUJPWSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226367156 882386971 /nfs/dbraw/zinc/38/69/71/882386971.db2.gz VIEQEDHSLGNBCN-WHGOUJPWSA-N 1 1 311.725 1.826 20 5 DDBDMO COC(CN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)OC ZINC001167032162 870489115 /nfs/dbraw/zinc/48/91/15/870489115.db2.gz XGDGXCNZQNQALP-VOTSOKGWSA-N 1 1 310.354 1.577 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001226430081 882426100 /nfs/dbraw/zinc/42/61/00/882426100.db2.gz CERRPCORPJLBDP-JTQLQIEISA-N 1 1 324.333 1.863 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298706959 870684726 /nfs/dbraw/zinc/68/47/26/870684726.db2.gz ZPSQURFKPPTVOZ-MRVPVSSYSA-N 1 1 317.777 1.822 20 5 DDBDMO CC(C)(NC(=O)CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340095046 870893191 /nfs/dbraw/zinc/89/31/91/870893191.db2.gz YWGDKATXQXSXIQ-UHFFFAOYSA-N 1 1 321.377 1.668 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](CC)CC2(C)C)c1[N+](=O)[O-] ZINC001304042444 871180526 /nfs/dbraw/zinc/18/05/26/871180526.db2.gz JHGTVMOMFHWSQH-NSHDSACASA-N 1 1 323.397 1.731 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1Cl ZINC001308983843 871544000 /nfs/dbraw/zinc/54/40/00/871544000.db2.gz UYLYCMNRPSDHLG-VXGBXAGGSA-N 1 1 314.769 1.671 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001347982233 874328645 /nfs/dbraw/zinc/32/86/45/874328645.db2.gz KHYVYKPYGKPZOF-ZDUSSCGKSA-N 1 1 322.365 1.517 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998647 874915594 /nfs/dbraw/zinc/91/55/94/874915594.db2.gz MLTKTYAHMOTCFZ-RYUDHWBXSA-N 1 1 322.340 1.625 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001351177307 876100511 /nfs/dbraw/zinc/10/05/11/876100511.db2.gz PIRHQYMHAUDIHI-VXGBXAGGSA-N 1 1 323.397 1.479 20 5 DDBDMO CN1C(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001351401420 876232372 /nfs/dbraw/zinc/23/23/72/876232372.db2.gz VKFBOLUBSIDNLW-DGCLKSJQSA-N 1 1 315.732 1.617 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001352971968 877046876 /nfs/dbraw/zinc/04/68/76/877046876.db2.gz YHXZOYKECKIWJG-JTQLQIEISA-N 1 1 321.381 1.715 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001352971968 877046887 /nfs/dbraw/zinc/04/68/87/877046887.db2.gz YHXZOYKECKIWJG-JTQLQIEISA-N 1 1 321.381 1.715 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001352971968 877046902 /nfs/dbraw/zinc/04/69/02/877046902.db2.gz YHXZOYKECKIWJG-JTQLQIEISA-N 1 1 321.381 1.715 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(OC2CC[NH+](C)CC2)cc1O ZINC001228812106 883684857 /nfs/dbraw/zinc/68/48/57/883684857.db2.gz UFJBFZWRZOWFDD-UHFFFAOYSA-N 1 1 310.306 1.560 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233699857 887237132 /nfs/dbraw/zinc/23/71/32/887237132.db2.gz VVLXQAKLHTWTIY-SNVBAGLBSA-N 1 1 302.277 1.973 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233699857 887237142 /nfs/dbraw/zinc/23/71/42/887237142.db2.gz VVLXQAKLHTWTIY-SNVBAGLBSA-N 1 1 302.277 1.973 20 5 DDBDMO COC(=O)c1ccc(O[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001234058154 887601739 /nfs/dbraw/zinc/60/17/39/887601739.db2.gz NRLPWXWLBICKJW-NSHDSACASA-N 1 1 317.301 1.972 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)C2)n1 ZINC001234908508 888246331 /nfs/dbraw/zinc/24/63/31/888246331.db2.gz GEAFQBYWTHKUSU-SNVBAGLBSA-N 1 1 309.326 1.125 20 5 DDBDMO COc1ccc(C[C@@H](C)N[C@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246092730 892411828 /nfs/dbraw/zinc/41/18/28/892411828.db2.gz OZWDOPFCTPYFKC-SWHYSGLUSA-N 1 1 311.357 1.824 20 5 DDBDMO CCN(CC)CCNC(=[NH2+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590335 896520493 /nfs/dbraw/zinc/52/04/93/896520493.db2.gz VNXSGGIQSWCUNX-AWEZNQCLSA-N 1 1 319.409 1.518 20 5 DDBDMO Cc1nc(C)c(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001280813180 897436197 /nfs/dbraw/zinc/43/61/97/897436197.db2.gz CDGJKFAPGQFZBF-CHWSQXEVSA-N 1 1 324.381 1.237 20 5 DDBDMO Cc1nc(C)c(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001280813180 897436205 /nfs/dbraw/zinc/43/62/05/897436205.db2.gz CDGJKFAPGQFZBF-CHWSQXEVSA-N 1 1 324.381 1.237 20 5 DDBDMO Cc1nc(C)c(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001280813180 897436212 /nfs/dbraw/zinc/43/62/12/897436212.db2.gz CDGJKFAPGQFZBF-CHWSQXEVSA-N 1 1 324.381 1.237 20 5 DDBDMO Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)cc([N+](=O)[O-])c1 ZINC001264010941 900870445 /nfs/dbraw/zinc/87/04/45/900870445.db2.gz QHRXEGHCDZKFKE-BXUZGUMPSA-N 1 1 304.350 1.230 20 5 DDBDMO CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265405431 901978917 /nfs/dbraw/zinc/97/89/17/901978917.db2.gz ZJRYLIILGIKGEY-LXTVHRRPSA-N 1 1 309.410 1.763 20 5 DDBDMO CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265405431 901978923 /nfs/dbraw/zinc/97/89/23/901978923.db2.gz ZJRYLIILGIKGEY-LXTVHRRPSA-N 1 1 309.410 1.763 20 5 DDBDMO CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001265405431 901978933 /nfs/dbraw/zinc/97/89/33/901978933.db2.gz ZJRYLIILGIKGEY-LXTVHRRPSA-N 1 1 309.410 1.763 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081903541 192337109 /nfs/dbraw/zinc/33/71/09/192337109.db2.gz JDQFTDYKENYNOE-VIFPVBQESA-N 1 1 302.352 1.126 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CO ZINC000248934207 282118543 /nfs/dbraw/zinc/11/85/43/282118543.db2.gz MYQNXVSWHMYHLY-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+]1CC=C(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286550079 219049422 /nfs/dbraw/zinc/04/94/22/219049422.db2.gz QBWFTKRRBDVNJJ-UHFFFAOYSA-N 1 1 315.333 1.917 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000451243809 231044103 /nfs/dbraw/zinc/04/41/03/231044103.db2.gz CUVJEQQFJRVRFC-UHFFFAOYSA-N 1 1 309.366 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC(C)(C)CO ZINC000451243809 231044106 /nfs/dbraw/zinc/04/41/06/231044106.db2.gz CUVJEQQFJRVRFC-UHFFFAOYSA-N 1 1 309.366 1.792 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249484537 282159736 /nfs/dbraw/zinc/15/97/36/282159736.db2.gz CFVYQIUFZHGWTD-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323656 529466583 /nfs/dbraw/zinc/46/65/83/529466583.db2.gz LEVBSTVXRRJKCY-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323656 529466585 /nfs/dbraw/zinc/46/65/85/529466585.db2.gz LEVBSTVXRRJKCY-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323656 529466587 /nfs/dbraw/zinc/46/65/87/529466587.db2.gz LEVBSTVXRRJKCY-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323656 529466589 /nfs/dbraw/zinc/46/65/89/529466589.db2.gz LEVBSTVXRRJKCY-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895393 362066600 /nfs/dbraw/zinc/06/66/00/362066600.db2.gz RNVGTJPNQSKQJG-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614895393 362066606 /nfs/dbraw/zinc/06/66/06/362066606.db2.gz RNVGTJPNQSKQJG-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301324760 282272485 /nfs/dbraw/zinc/27/24/85/282272485.db2.gz ACWCFPCQNVDJRL-AVGNSLFASA-N 1 1 305.382 1.557 20 5 DDBDMO C[N@@H+](CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000491323018 529912397 /nfs/dbraw/zinc/91/23/97/529912397.db2.gz XVLHTLVXVZNNQQ-CLTKARDFSA-N 1 1 307.325 1.958 20 5 DDBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000297461680 529915788 /nfs/dbraw/zinc/91/57/88/529915788.db2.gz QDUZVBSDAKFRHZ-UHFFFAOYSA-N 1 1 313.358 1.248 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000420968473 529926436 /nfs/dbraw/zinc/92/64/36/529926436.db2.gz BXCRZZIATVKKSJ-LBPRGKRZSA-N 1 1 321.377 1.950 20 5 DDBDMO CN1CCC([N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000434992502 530049631 /nfs/dbraw/zinc/04/96/31/530049631.db2.gz TUDIOUNKUGJGPZ-XQRVVYSFSA-N 1 1 319.405 1.997 20 5 DDBDMO C[NH+]1CCC(N(C/C=C\c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000434992502 530049632 /nfs/dbraw/zinc/04/96/32/530049632.db2.gz TUDIOUNKUGJGPZ-XQRVVYSFSA-N 1 1 319.405 1.997 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000458168646 530060547 /nfs/dbraw/zinc/06/05/47/530060547.db2.gz NPNYCXLGDPREJJ-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279816727 215172574 /nfs/dbraw/zinc/17/25/74/215172574.db2.gz QGCHQCSPVKMDHY-GWCFXTLKSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279816727 215172579 /nfs/dbraw/zinc/17/25/79/215172579.db2.gz QGCHQCSPVKMDHY-GWCFXTLKSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018151 215315801 /nfs/dbraw/zinc/31/58/01/215315801.db2.gz KGJLCEAQBQMINA-BBRMVZONSA-N 1 1 324.377 1.571 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272441351 209845698 /nfs/dbraw/zinc/84/56/98/209845698.db2.gz INGPOMKBVCEFHH-SWLSCSKDSA-N 1 1 303.362 1.690 20 5 DDBDMO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177877276 186197322 /nfs/dbraw/zinc/19/73/22/186197322.db2.gz LSQFRHMNRDIBEM-VHSXEESVSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177877276 186197324 /nfs/dbraw/zinc/19/73/24/186197324.db2.gz LSQFRHMNRDIBEM-VHSXEESVSA-N 1 1 321.333 1.992 20 5 DDBDMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664884 191211706 /nfs/dbraw/zinc/21/17/06/191211706.db2.gz LJHPUOYFLNYMTN-NSHDSACASA-N 1 1 321.381 1.391 20 5 DDBDMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664884 191211709 /nfs/dbraw/zinc/21/17/09/191211709.db2.gz LJHPUOYFLNYMTN-NSHDSACASA-N 1 1 321.381 1.391 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054644032 352699436 /nfs/dbraw/zinc/69/94/36/352699436.db2.gz BQCROYWIYJURPA-ZDUSSCGKSA-N 1 1 306.366 1.531 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068080238 353085728 /nfs/dbraw/zinc/08/57/28/353085728.db2.gz XTIHXCFYNAAAPH-UHFFFAOYSA-N 1 1 319.365 1.931 20 5 DDBDMO CC(C)[N@H+](C)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068080238 353085730 /nfs/dbraw/zinc/08/57/30/353085730.db2.gz XTIHXCFYNAAAPH-UHFFFAOYSA-N 1 1 319.365 1.931 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068080238 353085732 /nfs/dbraw/zinc/08/57/32/353085732.db2.gz XTIHXCFYNAAAPH-UHFFFAOYSA-N 1 1 319.365 1.931 20 5 DDBDMO COc1ccc(CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000068195974 353095111 /nfs/dbraw/zinc/09/51/11/353095111.db2.gz DCGFADAGLZPPHE-LLVKDONJSA-N 1 1 321.377 1.745 20 5 DDBDMO CNC(=O)c1ccc(N2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916240 353135906 /nfs/dbraw/zinc/13/59/06/353135906.db2.gz WHEKLWFYHHGSLL-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO CC(C)[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000069084074 353143731 /nfs/dbraw/zinc/14/37/31/353143731.db2.gz NQZNQOSOCUBMKZ-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO Cn1cc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000077247184 353461174 /nfs/dbraw/zinc/46/11/74/353461174.db2.gz TYSDNWCBEQCKPD-UHFFFAOYSA-N 1 1 315.377 1.693 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000079481795 353563696 /nfs/dbraw/zinc/56/36/96/353563696.db2.gz YABHCMGCBJWXLM-ZDUSSCGKSA-N 1 1 311.407 1.953 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169808 353706501 /nfs/dbraw/zinc/70/65/01/353706501.db2.gz POKNSRRWZDGIAX-SNVBAGLBSA-N 1 1 318.333 1.966 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000091028237 353804857 /nfs/dbraw/zinc/80/48/57/353804857.db2.gz NIAKXWVCCXQHCH-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000091028237 353804859 /nfs/dbraw/zinc/80/48/59/353804859.db2.gz NIAKXWVCCXQHCH-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000122921171 354028901 /nfs/dbraw/zinc/02/89/01/354028901.db2.gz DWFNQHSBDSGWDN-UHFFFAOYSA-N 1 1 317.342 1.012 20 5 DDBDMO COc1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000149259891 354172306 /nfs/dbraw/zinc/17/23/06/354172306.db2.gz RSIMOPACNOSSRO-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000153753512 354200544 /nfs/dbraw/zinc/20/05/44/354200544.db2.gz GUAOYOSIEOWSOT-OAHLLOKOSA-N 1 1 305.378 1.936 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000156601554 354220159 /nfs/dbraw/zinc/22/01/59/354220159.db2.gz OTYBGEWCEKZXEG-CYBMUJFWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000156601554 354220160 /nfs/dbraw/zinc/22/01/60/354220160.db2.gz OTYBGEWCEKZXEG-CYBMUJFWSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000281637665 354426528 /nfs/dbraw/zinc/42/65/28/354426528.db2.gz IKFUQXXBJXCVJS-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405198888 354677185 /nfs/dbraw/zinc/67/71/85/354677185.db2.gz BWMVQWJFPCSUSN-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO Nc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587837769 354886591 /nfs/dbraw/zinc/88/65/91/354886591.db2.gz DLVJPJIHIVHQNS-SNVBAGLBSA-N 1 1 317.349 1.776 20 5 DDBDMO CC[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H]1C ZINC000588006066 354892800 /nfs/dbraw/zinc/89/28/00/354892800.db2.gz PRHHALNBVDCFBU-JTQLQIEISA-N 1 1 317.349 1.774 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000590442948 355097857 /nfs/dbraw/zinc/09/78/57/355097857.db2.gz IGLRAPYLOKYOIF-IINYFYTJSA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]21 ZINC000590659983 355139873 /nfs/dbraw/zinc/13/98/73/355139873.db2.gz IFUVOIPTWGWBPL-RISCZKNCSA-N 1 1 319.361 1.502 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000591039637 355237959 /nfs/dbraw/zinc/23/79/59/355237959.db2.gz WWBFMBXHYVEAPY-ZWNOBZJWSA-N 1 1 323.349 1.387 20 5 DDBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000591475982 355320257 /nfs/dbraw/zinc/32/02/57/355320257.db2.gz MUVPKOPVXLVLOA-OAHLLOKOSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332655735 235248661 /nfs/dbraw/zinc/24/86/61/235248661.db2.gz VPKMKKBQWMATET-NSHDSACASA-N 1 1 305.334 1.524 20 5 DDBDMO CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592829528 355705826 /nfs/dbraw/zinc/70/58/26/355705826.db2.gz PXAUPDBGVILBPO-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592777361 355686454 /nfs/dbraw/zinc/68/64/54/355686454.db2.gz LGGCEZHJEGLRML-NSHDSACASA-N 1 1 320.353 1.318 20 5 DDBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108704 355800961 /nfs/dbraw/zinc/80/09/61/355800961.db2.gz ZBELWQPSFRALIX-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108704 355800963 /nfs/dbraw/zinc/80/09/63/355800963.db2.gz ZBELWQPSFRALIX-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519674 355912612 /nfs/dbraw/zinc/91/26/12/355912612.db2.gz AOBQPXFRMSGWTM-IINYFYTJSA-N 1 1 321.352 1.875 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000593754939 355987478 /nfs/dbraw/zinc/98/74/78/355987478.db2.gz ULANOVKMUFEBCU-UHFFFAOYSA-N 1 1 310.354 1.403 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969923 356076895 /nfs/dbraw/zinc/07/68/95/356076895.db2.gz GNYIHCASRJFJJM-STQMWFEESA-N 1 1 311.382 1.185 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000594198105 356136870 /nfs/dbraw/zinc/13/68/70/356136870.db2.gz RXLMSIDMLHIFIY-NEPJUHHUSA-N 1 1 321.381 1.558 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198111 356137584 /nfs/dbraw/zinc/13/75/84/356137584.db2.gz CXFPOGWXZNSHNF-UONOGXRCSA-N 1 1 321.381 1.315 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594200421 356138113 /nfs/dbraw/zinc/13/81/13/356138113.db2.gz LVXPZTJKPOFQEM-VXGBXAGGSA-N 1 1 321.381 1.383 20 5 DDBDMO C[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1(=O)=O ZINC000594973896 356366987 /nfs/dbraw/zinc/36/69/87/356366987.db2.gz GGCMOLCDQFDRBM-WPRPVWTQSA-N 1 1 304.393 1.712 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000595025970 356373958 /nfs/dbraw/zinc/37/39/58/356373958.db2.gz LSBOHSRSCOWTQO-LLVKDONJSA-N 1 1 323.349 1.113 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOCC[NH+](C)C ZINC000595038975 356375075 /nfs/dbraw/zinc/37/50/75/356375075.db2.gz AAJJADUMYWULLR-GFCCVEGCSA-N 1 1 311.382 1.832 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000595005615 356371436 /nfs/dbraw/zinc/37/14/36/356371436.db2.gz BMXKOQXGMWFYJK-ZWNOBZJWSA-N 1 1 307.350 1.923 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595318270 356447354 /nfs/dbraw/zinc/44/73/54/356447354.db2.gz TVDCJMJHVWDSIV-LBPRGKRZSA-N 1 1 322.365 1.726 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595318270 356447357 /nfs/dbraw/zinc/44/73/57/356447357.db2.gz TVDCJMJHVWDSIV-LBPRGKRZSA-N 1 1 322.365 1.726 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595500163 356519369 /nfs/dbraw/zinc/51/93/69/356519369.db2.gz XMOXYHLJCQWIBE-LLVKDONJSA-N 1 1 308.338 1.336 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595500163 356519372 /nfs/dbraw/zinc/51/93/72/356519372.db2.gz XMOXYHLJCQWIBE-LLVKDONJSA-N 1 1 308.338 1.336 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766572 356644120 /nfs/dbraw/zinc/64/41/20/356644120.db2.gz PTLZZEXXRHWWMI-GXFFZTMASA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766572 356644124 /nfs/dbraw/zinc/64/41/24/356644124.db2.gz PTLZZEXXRHWWMI-GXFFZTMASA-N 1 1 323.349 1.387 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780369 356649633 /nfs/dbraw/zinc/64/96/33/356649633.db2.gz JMBAMDRQYWRXEN-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595868950 356684574 /nfs/dbraw/zinc/68/45/74/356684574.db2.gz CNXFAHGXXPBUCR-WBMJQRKESA-N 1 1 321.377 1.874 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)n1 ZINC000595911738 356702347 /nfs/dbraw/zinc/70/23/47/356702347.db2.gz WNUBMJSXJVFCFI-GASCZTMLSA-N 1 1 306.366 1.684 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537902 356910158 /nfs/dbraw/zinc/91/01/58/356910158.db2.gz JLHXGRCLCIBOHX-ZDUSSCGKSA-N 1 1 321.377 1.639 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596537854 356910328 /nfs/dbraw/zinc/91/03/28/356910328.db2.gz INFITWAPNXWMAR-ZDUSSCGKSA-N 1 1 321.377 1.639 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000597603806 357250494 /nfs/dbraw/zinc/25/04/94/357250494.db2.gz DYOBGHRWLUHRIW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000597603806 357250497 /nfs/dbraw/zinc/25/04/97/357250497.db2.gz DYOBGHRWLUHRIW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000597603806 357250502 /nfs/dbraw/zinc/25/05/02/357250502.db2.gz DYOBGHRWLUHRIW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000347685954 283258934 /nfs/dbraw/zinc/25/89/34/283258934.db2.gz SAGHZYQKDSPXPV-LBPRGKRZSA-N 1 1 309.370 1.067 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000347685954 283258936 /nfs/dbraw/zinc/25/89/36/283258936.db2.gz SAGHZYQKDSPXPV-LBPRGKRZSA-N 1 1 309.370 1.067 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342911 357545563 /nfs/dbraw/zinc/54/55/63/357545563.db2.gz OUHWMDXRELPQTR-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO COC(=O)c1ccnc(N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598599039 357648590 /nfs/dbraw/zinc/64/85/90/357648590.db2.gz XGYCLEANRXFIBH-NSHDSACASA-N 1 1 322.365 1.554 20 5 DDBDMO COC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000598631031 357662632 /nfs/dbraw/zinc/66/26/32/357662632.db2.gz NYCNXFPSMPWJKQ-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO Cn1cc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000599260945 357865979 /nfs/dbraw/zinc/86/59/79/357865979.db2.gz MKYJVJKUJLAODK-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(C)COC1 ZINC000599571754 357979345 /nfs/dbraw/zinc/97/93/45/357979345.db2.gz ULTOUURXPKGKJV-LLVKDONJSA-N 1 1 307.350 1.890 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599684809 358024089 /nfs/dbraw/zinc/02/40/89/358024089.db2.gz RDXKLOHSNOQUGW-CAVOSLQRSA-N 1 1 322.361 1.180 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599704831 358033353 /nfs/dbraw/zinc/03/33/53/358033353.db2.gz UVHWKCCOKKHLPY-CQSZACIVSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599753570 358048115 /nfs/dbraw/zinc/04/81/15/358048115.db2.gz ORTJFNXWKLYCPG-LBPRGKRZSA-N 1 1 322.365 1.400 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600067355 358113387 /nfs/dbraw/zinc/11/33/87/358113387.db2.gz SOWFMWWYNHCYRN-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000600190537 358151038 /nfs/dbraw/zinc/15/10/38/358151038.db2.gz GWZFWJLAYGPXME-BIENSFFJSA-N 1 1 320.345 1.872 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000600190537 358151040 /nfs/dbraw/zinc/15/10/40/358151040.db2.gz GWZFWJLAYGPXME-BIENSFFJSA-N 1 1 320.345 1.872 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601185727 358438765 /nfs/dbraw/zinc/43/87/65/358438765.db2.gz ZZPSEZOONANOML-WDEREUQCSA-N 1 1 320.349 1.164 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973361 358760506 /nfs/dbraw/zinc/76/05/06/358760506.db2.gz LOWPNKHNROXECN-TXEJJXNPSA-N 1 1 305.334 1.420 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973361 358760510 /nfs/dbraw/zinc/76/05/10/358760510.db2.gz LOWPNKHNROXECN-TXEJJXNPSA-N 1 1 305.334 1.420 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602150413 358848955 /nfs/dbraw/zinc/84/89/55/358848955.db2.gz JFACJAGRBHTOFW-ZDUSSCGKSA-N 1 1 305.378 1.938 20 5 DDBDMO Cn1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c([N+](=O)[O-])n1 ZINC000602480300 359005579 /nfs/dbraw/zinc/00/55/79/359005579.db2.gz FURUIBDRGJSQLO-CYBMUJFWSA-N 1 1 310.354 1.098 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787579 359192187 /nfs/dbraw/zinc/19/21/87/359192187.db2.gz ZOTXGDGPARUUSI-ZDUSSCGKSA-N 1 1 312.370 1.085 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602718870 359146942 /nfs/dbraw/zinc/14/69/42/359146942.db2.gz RNZCGOXHRKMXLB-CQSZACIVSA-N 1 1 302.334 1.982 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602718870 359146946 /nfs/dbraw/zinc/14/69/46/359146946.db2.gz RNZCGOXHRKMXLB-CQSZACIVSA-N 1 1 302.334 1.982 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2nccs2)CC1 ZINC000602760545 359171658 /nfs/dbraw/zinc/17/16/58/359171658.db2.gz QSKUJULAKQOVJY-UHFFFAOYSA-N 1 1 322.394 1.378 20 5 DDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839808 359228426 /nfs/dbraw/zinc/22/84/26/359228426.db2.gz LWLCLUUFYHDRQI-CHWSQXEVSA-N 1 1 308.382 1.989 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141286 359430294 /nfs/dbraw/zinc/43/02/94/359430294.db2.gz FCMBGUPMOWGMEX-NSHDSACASA-N 1 1 323.397 1.439 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141286 359430297 /nfs/dbraw/zinc/43/02/97/359430297.db2.gz FCMBGUPMOWGMEX-NSHDSACASA-N 1 1 323.397 1.439 20 5 DDBDMO Cn1c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000603142474 359431268 /nfs/dbraw/zinc/43/12/68/359431268.db2.gz MVMWJFKYMSUFJE-GFCCVEGCSA-N 1 1 308.382 1.736 20 5 DDBDMO Cc1cccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000186807785 200014074 /nfs/dbraw/zinc/01/40/74/200014074.db2.gz GMGTXXOWIQZLSR-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187732796 200149796 /nfs/dbraw/zinc/14/97/96/200149796.db2.gz LBLUBJXYIIUCEN-UHFFFAOYSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187743253 200152034 /nfs/dbraw/zinc/15/20/34/200152034.db2.gz SZKWSCAAEGVIMB-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188502410 200257521 /nfs/dbraw/zinc/25/75/21/200257521.db2.gz ZPBZKPYMBFLPMO-UHFFFAOYSA-N 1 1 310.310 1.637 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188502410 200257522 /nfs/dbraw/zinc/25/75/22/200257522.db2.gz ZPBZKPYMBFLPMO-UHFFFAOYSA-N 1 1 310.310 1.637 20 5 DDBDMO [NH3+]CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000237813445 202361164 /nfs/dbraw/zinc/36/11/64/202361164.db2.gz TZYMHSQYXDESCN-UHFFFAOYSA-N 1 1 303.322 1.282 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000609257605 360277396 /nfs/dbraw/zinc/27/73/96/360277396.db2.gz DPMJWPHMXFGZLZ-JTQLQIEISA-N 1 1 302.334 1.900 20 5 DDBDMO COCCOCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000610570717 360472528 /nfs/dbraw/zinc/47/25/28/360472528.db2.gz YUASHEVNCMLQDF-UHFFFAOYSA-N 1 1 323.393 1.375 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000610654055 360492325 /nfs/dbraw/zinc/49/23/25/360492325.db2.gz GVVMHBIWPJJXLJ-GHMZBOCLSA-N 1 1 321.381 1.268 20 5 DDBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610518579 360458559 /nfs/dbraw/zinc/45/85/59/360458559.db2.gz RWQHPYJFOTZWLD-LLVKDONJSA-N 1 1 303.322 1.733 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610900770 360567271 /nfs/dbraw/zinc/56/72/71/360567271.db2.gz KOCOVPYYJXNYGU-TVQRCGJNSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900770 360567276 /nfs/dbraw/zinc/56/72/76/360567276.db2.gz KOCOVPYYJXNYGU-TVQRCGJNSA-N 1 1 311.313 1.183 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000611033064 360607756 /nfs/dbraw/zinc/60/77/56/360607756.db2.gz SWUBZSDIZPKKBX-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000611033064 360607759 /nfs/dbraw/zinc/60/77/59/360607759.db2.gz SWUBZSDIZPKKBX-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000611256833 360681319 /nfs/dbraw/zinc/68/13/19/360681319.db2.gz JCSZOHFHATYCQE-GHMZBOCLSA-N 1 1 306.366 1.483 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CNC1(CCO)CC[NH+](C)CC1 ZINC000565842898 304097853 /nfs/dbraw/zinc/09/78/53/304097853.db2.gz IJVCRTVLODCGHU-UHFFFAOYSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000292689341 223202480 /nfs/dbraw/zinc/20/24/80/223202480.db2.gz RKWLPQWSIPODIZ-ZDUSSCGKSA-N 1 1 324.356 1.794 20 5 DDBDMO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193407638 201048431 /nfs/dbraw/zinc/04/84/31/201048431.db2.gz WSQAGDWVZYWXJI-WCBMZHEXSA-N 1 1 317.342 1.010 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000619578151 364071000 /nfs/dbraw/zinc/07/10/00/364071000.db2.gz AZYZTKRUBVPFSB-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO CCOC(=O)c1ccnc(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000271817432 209240598 /nfs/dbraw/zinc/24/05/98/209240598.db2.gz MYUYDSLZCDEISC-UHFFFAOYSA-N 1 1 320.349 1.840 20 5 DDBDMO CC[N@@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275433576 212329985 /nfs/dbraw/zinc/32/99/85/212329985.db2.gz FSZFUDSDGWBQKM-UHFFFAOYSA-N 1 1 313.329 1.767 20 5 DDBDMO C[N@@H+](CCCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000349932666 284109358 /nfs/dbraw/zinc/10/93/58/284109358.db2.gz FMLQGYGONXJKBA-UHFFFAOYSA-N 1 1 323.349 1.597 20 5 DDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCC1 ZINC000264329109 203854100 /nfs/dbraw/zinc/85/41/00/203854100.db2.gz WQWYFKPXMYBOBJ-UHFFFAOYSA-N 1 1 307.354 1.375 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266271875 205228583 /nfs/dbraw/zinc/22/85/83/205228583.db2.gz RIHRBFFGSWHSQL-GFCCVEGCSA-N 1 1 309.341 1.892 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288473196 220165020 /nfs/dbraw/zinc/16/50/20/220165020.db2.gz QNIACTBUTYEIDS-GXSJLCMTSA-N 1 1 307.354 1.325 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334084035 249209204 /nfs/dbraw/zinc/20/92/04/249209204.db2.gz WDAMABMGWKCZLV-MNOVXSKESA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284701860 218139866 /nfs/dbraw/zinc/13/98/66/218139866.db2.gz IOQTTZRMKMIPQD-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000284701860 218139867 /nfs/dbraw/zinc/13/98/67/218139867.db2.gz IOQTTZRMKMIPQD-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO CCC[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000338762166 250124748 /nfs/dbraw/zinc/12/47/48/250124748.db2.gz LZQCQYCZMLCXRI-UHFFFAOYSA-N 1 1 309.370 1.081 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938473 251290106 /nfs/dbraw/zinc/29/01/06/251290106.db2.gz WHOZVUHOZSRWBW-SKDRFNHKSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938473 251290108 /nfs/dbraw/zinc/29/01/08/251290108.db2.gz WHOZVUHOZSRWBW-SKDRFNHKSA-N 1 1 304.306 1.600 20 5 DDBDMO NC(=O)c1cccc(NC[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000340924602 251279237 /nfs/dbraw/zinc/27/92/37/251279237.db2.gz NSLGUBBRXRJXBY-SNVBAGLBSA-N 1 1 315.333 1.565 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341025437 251344627 /nfs/dbraw/zinc/34/46/27/251344627.db2.gz JCNSXHOKDYJJTC-GXTWGEPZSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000269175288 207296056 /nfs/dbraw/zinc/29/60/56/207296056.db2.gz BMJWXEPDFSPFTO-LDYMZIIASA-N 1 1 303.322 1.280 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302518616 532955050 /nfs/dbraw/zinc/95/50/50/532955050.db2.gz HYEFVDOCLURBGN-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000567796289 304243024 /nfs/dbraw/zinc/24/30/24/304243024.db2.gz PFMMQLCRDNWMDW-RISCZKNCSA-N 1 1 305.334 1.644 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000567796289 304243026 /nfs/dbraw/zinc/24/30/26/304243026.db2.gz PFMMQLCRDNWMDW-RISCZKNCSA-N 1 1 305.334 1.644 20 5 DDBDMO Cc1ccc(N(C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000269975211 208027734 /nfs/dbraw/zinc/02/77/34/208027734.db2.gz YSQHTESQLABVGX-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCn2cccn2)CC1 ZINC000264384244 285165982 /nfs/dbraw/zinc/16/59/82/285165982.db2.gz ZDXMUWYSMKGFQA-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352657094 285201182 /nfs/dbraw/zinc/20/11/82/285201182.db2.gz FAMUJIGAQJNBMP-SGMGOOAPSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000121124448 195296150 /nfs/dbraw/zinc/29/61/50/195296150.db2.gz WPZVXRQXTAEJLT-DOMZBBRYSA-N 1 1 321.377 1.772 20 5 DDBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451576905 533412833 /nfs/dbraw/zinc/41/28/33/533412833.db2.gz VCDXAVXYBVYCHT-SMDDNHRTSA-N 1 1 307.350 1.890 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451576905 533412836 /nfs/dbraw/zinc/41/28/36/533412836.db2.gz VCDXAVXYBVYCHT-SMDDNHRTSA-N 1 1 307.350 1.890 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950690 533662222 /nfs/dbraw/zinc/66/22/22/533662222.db2.gz HZBXNAMLXDEURZ-ONGXEEELSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950690 533662228 /nfs/dbraw/zinc/66/22/28/533662228.db2.gz HZBXNAMLXDEURZ-ONGXEEELSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950690 533662233 /nfs/dbraw/zinc/66/22/33/533662233.db2.gz HZBXNAMLXDEURZ-ONGXEEELSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950690 533662237 /nfs/dbraw/zinc/66/22/37/533662237.db2.gz HZBXNAMLXDEURZ-ONGXEEELSA-N 1 1 307.354 1.325 20 5 DDBDMO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000569115927 304336990 /nfs/dbraw/zinc/33/69/90/304336990.db2.gz ARGXHVUPJIMMDD-CJNGLKHVSA-N 1 1 318.421 1.808 20 5 DDBDMO COc1ccc(C[NH2+]Cc2ccnc(OC)n2)cc1[N+](=O)[O-] ZINC000294682242 533675677 /nfs/dbraw/zinc/67/56/77/533675677.db2.gz ACNDCTJIGHKJRW-UHFFFAOYSA-N 1 1 304.306 1.692 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000072064511 406873253 /nfs/dbraw/zinc/87/32/53/406873253.db2.gz BPBNUZPXEYORQG-ZIAGYGMSSA-N 1 1 319.361 1.496 20 5 DDBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078639878 407037171 /nfs/dbraw/zinc/03/71/71/407037171.db2.gz DFXLLUPQKHTNFG-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO COCCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378311 407272265 /nfs/dbraw/zinc/27/22/65/407272265.db2.gz SQEBOBXQAWEDOZ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000109331388 407397765 /nfs/dbraw/zinc/39/77/65/407397765.db2.gz YURJKWJLLUUQOS-CYBMUJFWSA-N 1 1 322.365 1.331 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000112364055 407427350 /nfs/dbraw/zinc/42/73/50/407427350.db2.gz MGHBACVZLOHPFP-UHFFFAOYSA-N 1 1 321.424 1.667 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185706681 407482699 /nfs/dbraw/zinc/48/26/99/407482699.db2.gz VSZXEHAUDPPJOV-GFCCVEGCSA-N 1 1 308.338 1.108 20 5 DDBDMO C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000178402458 407445522 /nfs/dbraw/zinc/44/55/22/407445522.db2.gz JCEBCWSTPCVKLU-UHFFFAOYSA-N 1 1 307.398 1.742 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266550775 407554461 /nfs/dbraw/zinc/55/44/61/407554461.db2.gz UFWJVXWCDUOWMF-LLVKDONJSA-N 1 1 324.333 1.477 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000267000401 407710837 /nfs/dbraw/zinc/71/08/37/407710837.db2.gz CTIGMPOTJVZJGK-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000133326897 407830312 /nfs/dbraw/zinc/83/03/12/407830312.db2.gz BGMPYHBUFKTADF-RISCZKNCSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000133326897 407830317 /nfs/dbraw/zinc/83/03/17/407830317.db2.gz BGMPYHBUFKTADF-RISCZKNCSA-N 1 1 322.365 1.113 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118096607 407886021 /nfs/dbraw/zinc/88/60/21/407886021.db2.gz FNUWSNJSUOELMG-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000118106458 407889500 /nfs/dbraw/zinc/88/95/00/407889500.db2.gz TUJBYEUFCHRZBQ-NSHDSACASA-N 1 1 320.349 1.052 20 5 DDBDMO CC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000118835259 407950380 /nfs/dbraw/zinc/95/03/80/407950380.db2.gz MMMDTXZAIMEFGG-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CC[N@@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000119009921 407977285 /nfs/dbraw/zinc/97/72/85/407977285.db2.gz LIGQFHMLRCBSCX-UHFFFAOYSA-N 1 1 320.393 1.921 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175150120 408064884 /nfs/dbraw/zinc/06/48/84/408064884.db2.gz SZURXOXQQPIAOO-CQSZACIVSA-N 1 1 321.377 1.667 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175150120 408064888 /nfs/dbraw/zinc/06/48/88/408064888.db2.gz SZURXOXQQPIAOO-CQSZACIVSA-N 1 1 321.377 1.667 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189636313 408070199 /nfs/dbraw/zinc/07/01/99/408070199.db2.gz HVNWALKQKDPUCI-MRXNPFEDSA-N 1 1 321.377 1.795 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000175250772 408087940 /nfs/dbraw/zinc/08/79/40/408087940.db2.gz UGQAPVYUGKRRDD-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136253875 408092794 /nfs/dbraw/zinc/09/27/94/408092794.db2.gz NLYGOXXKLVNOLB-DZGCQCFKSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CO ZINC000190440549 408245725 /nfs/dbraw/zinc/24/57/25/408245725.db2.gz MYQNXVSWHMYHLY-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000246425160 408251049 /nfs/dbraw/zinc/25/10/49/408251049.db2.gz IIQRPQSOFIXUDC-DUVNUKRYSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000246607390 408300338 /nfs/dbraw/zinc/30/03/38/408300338.db2.gz BYZPLROHNFPBLI-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000246607390 408300342 /nfs/dbraw/zinc/30/03/42/408300342.db2.gz BYZPLROHNFPBLI-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631597 408369024 /nfs/dbraw/zinc/36/90/24/408369024.db2.gz FWXWSESOKRYCRB-FZMZJTMJSA-N 1 1 307.350 1.216 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000247340709 408455208 /nfs/dbraw/zinc/45/52/08/408455208.db2.gz JFAWDLMMMDJZQS-IUODEOHRSA-N 1 1 305.378 1.936 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCOCC1 ZINC000264292792 408430037 /nfs/dbraw/zinc/43/00/37/408430037.db2.gz QDWPZGYUCZWKHB-UHFFFAOYSA-N 1 1 309.366 1.238 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000247707399 408503911 /nfs/dbraw/zinc/50/39/11/408503911.db2.gz ZHBOBZRHYAULQB-JKSUJKDBSA-N 1 1 320.393 1.975 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248584176 408592794 /nfs/dbraw/zinc/59/27/94/408592794.db2.gz QQHCYTHPSTUFMN-SGMGOOAPSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000248130201 408537646 /nfs/dbraw/zinc/53/76/46/408537646.db2.gz OJFLDAZPXYRQNP-DGCLKSJQSA-N 1 1 318.377 1.733 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177426345 408614074 /nfs/dbraw/zinc/61/40/74/408614074.db2.gz FVKIOIVZSOOQPS-OAHLLOKOSA-N 1 1 321.333 1.079 20 5 DDBDMO Cc1ccnc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275628867 408625626 /nfs/dbraw/zinc/62/56/26/408625626.db2.gz VQNLXHXGHZKLOH-GFCCVEGCSA-N 1 1 308.382 1.580 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000161817725 408642998 /nfs/dbraw/zinc/64/29/98/408642998.db2.gz BAAQAKIDVUIQEN-JTQLQIEISA-N 1 1 307.354 1.407 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265612251 408713876 /nfs/dbraw/zinc/71/38/76/408713876.db2.gz XFWGKTAISRHZCV-SNVBAGLBSA-N 1 1 311.769 1.859 20 5 DDBDMO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000251690512 408784028 /nfs/dbraw/zinc/78/40/28/408784028.db2.gz OYBWMSRIWBFEHZ-GHMZBOCLSA-N 1 1 322.365 1.546 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001177 408754816 /nfs/dbraw/zinc/75/48/16/408754816.db2.gz BQXDVDZVXPOLJA-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001177 408754821 /nfs/dbraw/zinc/75/48/21/408754821.db2.gz BQXDVDZVXPOLJA-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001177 408754827 /nfs/dbraw/zinc/75/48/27/408754827.db2.gz BQXDVDZVXPOLJA-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281842914 408939974 /nfs/dbraw/zinc/93/99/74/408939974.db2.gz YPJZGIBJCQSNMP-GWCFXTLKSA-N 1 1 307.350 1.693 20 5 DDBDMO C[N@@H+]1CCC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000231553476 163349536 /nfs/dbraw/zinc/34/95/36/163349536.db2.gz RWIVUFKVNOXFGD-JTQLQIEISA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000231553476 163349537 /nfs/dbraw/zinc/34/95/37/163349537.db2.gz RWIVUFKVNOXFGD-JTQLQIEISA-N 1 1 313.379 1.504 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000287907177 409112894 /nfs/dbraw/zinc/11/28/94/409112894.db2.gz VRSVRQCBMNYUQI-UHFFFAOYSA-N 1 1 308.382 1.724 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000287907177 409112898 /nfs/dbraw/zinc/11/28/98/409112898.db2.gz VRSVRQCBMNYUQI-UHFFFAOYSA-N 1 1 308.382 1.724 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317055392 164025551 /nfs/dbraw/zinc/02/55/51/164025551.db2.gz HPAACSPRULOOBT-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccccc1 ZINC000285492495 409465483 /nfs/dbraw/zinc/46/54/83/409465483.db2.gz AMVVQRPHEXNCQG-FZMZJTMJSA-N 1 1 315.333 1.493 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408075845 164220217 /nfs/dbraw/zinc/22/02/17/164220217.db2.gz ZYLWWTSLUVZGDQ-NXEZZACHSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408075845 164220218 /nfs/dbraw/zinc/22/02/18/164220218.db2.gz ZYLWWTSLUVZGDQ-NXEZZACHSA-N 1 1 317.349 1.636 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000356834996 409646058 /nfs/dbraw/zinc/64/60/58/409646058.db2.gz BYWYKLKPYZOIHW-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000356834996 409646062 /nfs/dbraw/zinc/64/60/62/409646062.db2.gz BYWYKLKPYZOIHW-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000342822151 409927020 /nfs/dbraw/zinc/92/70/20/409927020.db2.gz QQGLRTDUZREDNW-GFCCVEGCSA-N 1 1 310.402 1.014 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350927 409929959 /nfs/dbraw/zinc/92/99/59/409929959.db2.gz QOEIPPCGBKQGSS-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1C ZINC000297929879 410050729 /nfs/dbraw/zinc/05/07/29/410050729.db2.gz RCTCQSDATWFAFU-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1C ZINC000297929879 410050735 /nfs/dbraw/zinc/05/07/35/410050735.db2.gz RCTCQSDATWFAFU-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357513641 410079426 /nfs/dbraw/zinc/07/94/26/410079426.db2.gz NPRREUVXTCNYLQ-IUCAKERBSA-N 1 1 305.338 1.126 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357682297 410186700 /nfs/dbraw/zinc/18/67/00/410186700.db2.gz KERITXAMEGWMQK-MWLCHTKSSA-N 1 1 308.338 1.671 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701776 410195556 /nfs/dbraw/zinc/19/55/56/410195556.db2.gz XSIILHYNWIWGGS-KOLCDFICSA-N 1 1 308.338 1.671 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351787263 410236826 /nfs/dbraw/zinc/23/68/26/410236826.db2.gz YTGXOEZMEGSNIZ-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351776429 410223825 /nfs/dbraw/zinc/22/38/25/410223825.db2.gz BAXXJDIMACJHPG-ZWNOBZJWSA-N 1 1 323.349 1.245 20 5 DDBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000339629575 410343493 /nfs/dbraw/zinc/34/34/93/410343493.db2.gz LWOBCUCYKHOXDK-LLVKDONJSA-N 1 1 323.349 1.596 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298730974 410369098 /nfs/dbraw/zinc/36/90/98/410369098.db2.gz SEKVNJQCBGUXCF-VXGBXAGGSA-N 1 1 305.338 1.127 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298776352 410392687 /nfs/dbraw/zinc/39/26/87/410392687.db2.gz DIIBZXMFQSDFJR-GHMZBOCLSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298776352 410392691 /nfs/dbraw/zinc/39/26/91/410392691.db2.gz DIIBZXMFQSDFJR-GHMZBOCLSA-N 1 1 321.333 1.417 20 5 DDBDMO CC(C)c1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171263 410393482 /nfs/dbraw/zinc/39/34/82/410393482.db2.gz SALFKUPAKSHJIU-INIZCTEOSA-N 1 1 307.394 1.874 20 5 DDBDMO CC(C)c1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358171263 410393484 /nfs/dbraw/zinc/39/34/84/410393484.db2.gz SALFKUPAKSHJIU-INIZCTEOSA-N 1 1 307.394 1.874 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339781494 410455943 /nfs/dbraw/zinc/45/59/43/410455943.db2.gz YDYPPRRCIMALAK-UKRRQHHQSA-N 1 1 324.381 1.043 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000347354527 410493218 /nfs/dbraw/zinc/49/32/18/410493218.db2.gz BRXKZFUUVMRSGX-WASHYIJTSA-N 1 1 316.361 1.708 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000347354527 410493221 /nfs/dbraw/zinc/49/32/21/410493221.db2.gz BRXKZFUUVMRSGX-WASHYIJTSA-N 1 1 316.361 1.708 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186867 410534747 /nfs/dbraw/zinc/53/47/47/410534747.db2.gz OJQDLPLIFVPMMG-ZIAGYGMSSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1COCCN1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570320 410665215 /nfs/dbraw/zinc/66/52/15/410665215.db2.gz FXWNAMSRGQLEBP-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340168600 410721125 /nfs/dbraw/zinc/72/11/25/410721125.db2.gz SWJKQYHOQIVWLN-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340168600 410721133 /nfs/dbraw/zinc/72/11/33/410721133.db2.gz SWJKQYHOQIVWLN-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628578 410779596 /nfs/dbraw/zinc/77/95/96/410779596.db2.gz ZWEIFGDOUWLELL-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO Cc1cc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301591954 410750364 /nfs/dbraw/zinc/75/03/64/410750364.db2.gz YMBUURHMBHKJCR-UONOGXRCSA-N 1 1 320.393 1.724 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330612440 410827048 /nfs/dbraw/zinc/82/70/48/410827048.db2.gz QVYINUJPTYCPJK-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302389626 410844547 /nfs/dbraw/zinc/84/45/47/410844547.db2.gz IAQXHKNQJDIXJH-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000348223779 410863884 /nfs/dbraw/zinc/86/38/84/410863884.db2.gz XWZSPPVRKZHZMH-AWEZNQCLSA-N 1 1 318.377 1.362 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356442882 411033329 /nfs/dbraw/zinc/03/33/29/411033329.db2.gz DLHZDIHSQJDHJD-LBPRGKRZSA-N 1 1 323.397 1.713 20 5 DDBDMO Cn1ccnc1[C@@H](NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353649618 411098953 /nfs/dbraw/zinc/09/89/53/411098953.db2.gz YJWKPGVHERFRHF-HNNXBMFYSA-N 1 1 315.377 1.713 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373742219 418455229 /nfs/dbraw/zinc/45/52/29/418455229.db2.gz OPLAMDZBEDBQRD-LBPRGKRZSA-N 1 1 311.357 1.622 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 ZINC000360536604 418458275 /nfs/dbraw/zinc/45/82/75/418458275.db2.gz LDIRKRFIELDXBU-LBPRGKRZSA-N 1 1 322.365 1.040 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366628412 418498813 /nfs/dbraw/zinc/49/88/13/418498813.db2.gz MULLPXMSJSHVIJ-OAHLLOKOSA-N 1 1 321.377 1.510 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000212603901 418558817 /nfs/dbraw/zinc/55/88/17/418558817.db2.gz GSKWVGVEOMLUSA-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000291184661 222204390 /nfs/dbraw/zinc/20/43/90/222204390.db2.gz SEPJGWMHDGYBAX-SNVBAGLBSA-N 1 1 309.370 1.621 20 5 DDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312703 222306442 /nfs/dbraw/zinc/30/64/42/222306442.db2.gz TWUHCQHEWCQJPF-OLZOCXBDSA-N 1 1 312.366 1.691 20 5 DDBDMO CC[N@@H+]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000389251102 418749263 /nfs/dbraw/zinc/74/92/63/418749263.db2.gz BMWJIOODOBVWJS-JTQLQIEISA-N 1 1 313.379 1.504 20 5 DDBDMO CC[N@H+]1CC[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000389251102 418749266 /nfs/dbraw/zinc/74/92/66/418749266.db2.gz BMWJIOODOBVWJS-JTQLQIEISA-N 1 1 313.379 1.504 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372300009 418853299 /nfs/dbraw/zinc/85/32/99/418853299.db2.gz FUKUICNZNQNVDF-CQSZACIVSA-N 1 1 308.334 1.439 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000365655250 418890449 /nfs/dbraw/zinc/89/04/49/418890449.db2.gz IHTQXHIZRLQKBK-SVDKCWMDSA-N 1 1 301.346 1.676 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155911 418840405 /nfs/dbraw/zinc/84/04/05/418840405.db2.gz HVBCRMVCOPUPMB-TZMCWYRMSA-N 1 1 319.361 1.552 20 5 DDBDMO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091199 419648543 /nfs/dbraw/zinc/64/85/43/419648543.db2.gz QOUIBIVHRKSJPV-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091199 419648547 /nfs/dbraw/zinc/64/85/47/419648547.db2.gz QOUIBIVHRKSJPV-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000431952682 229069991 /nfs/dbraw/zinc/06/99/91/229069991.db2.gz GUOLFTFAQZWNDD-UHFFFAOYSA-N 1 1 309.366 1.738 20 5 DDBDMO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000435871607 420290447 /nfs/dbraw/zinc/29/04/47/420290447.db2.gz UCKPNRVQGZRRHH-GFCCVEGCSA-N 1 1 319.361 1.912 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000302368101 230224383 /nfs/dbraw/zinc/22/43/83/230224383.db2.gz DSIOHCGWYDUATR-LBPRGKRZSA-N 1 1 309.366 1.244 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000450952765 420567976 /nfs/dbraw/zinc/56/79/76/420567976.db2.gz IZHGPEZCRNHPNK-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493153067 420770787 /nfs/dbraw/zinc/77/07/87/420770787.db2.gz BFQBXIWOCWCFPM-XQRVVYSFSA-N 1 1 307.325 1.956 20 5 DDBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H]2CCCCN12 ZINC000453628719 420739163 /nfs/dbraw/zinc/73/91/63/420739163.db2.gz NOBLTICRJVPHLS-RISCZKNCSA-N 1 1 307.325 1.977 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948940 421060109 /nfs/dbraw/zinc/06/01/09/421060109.db2.gz MYWBOJQSNDAASZ-GXTWGEPZSA-N 1 1 305.378 1.793 20 5 DDBDMO CNc1nc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000456004535 421086457 /nfs/dbraw/zinc/08/64/57/421086457.db2.gz KFHPDFKRXZZABD-JTQLQIEISA-N 1 1 319.365 1.412 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724933 421107538 /nfs/dbraw/zinc/10/75/38/421107538.db2.gz AXHIHJCOCBBSEZ-MNOVXSKESA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000522811422 421225912 /nfs/dbraw/zinc/22/59/12/421225912.db2.gz PSESOKQFMBMGOS-CYBMUJFWSA-N 1 1 323.397 1.336 20 5 DDBDMO C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000555220788 421672476 /nfs/dbraw/zinc/67/24/76/421672476.db2.gz GSNUILUNCJHFRI-AOOOYVTPSA-N 1 1 317.349 1.772 20 5 DDBDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000586802185 422313610 /nfs/dbraw/zinc/31/36/10/422313610.db2.gz OFIDMYLTYQQOAH-LBPRGKRZSA-N 1 1 303.322 1.894 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000586802185 422313615 /nfs/dbraw/zinc/31/36/15/422313615.db2.gz OFIDMYLTYQQOAH-LBPRGKRZSA-N 1 1 303.322 1.894 20 5 DDBDMO Nc1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000596163548 422369183 /nfs/dbraw/zinc/36/91/83/422369183.db2.gz WSDBATKSDYJRSP-CHWSQXEVSA-N 1 1 321.381 1.627 20 5 DDBDMO NC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712336 422411872 /nfs/dbraw/zinc/41/18/72/422411872.db2.gz WWNDUXYYXMNSHK-QWHCGFSZSA-N 1 1 323.397 1.373 20 5 DDBDMO NC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712335 422412263 /nfs/dbraw/zinc/41/22/63/422412263.db2.gz WWNDUXYYXMNSHK-OLZOCXBDSA-N 1 1 323.397 1.373 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000578156814 422511946 /nfs/dbraw/zinc/51/19/46/422511946.db2.gz GVBAQEPXBSEVIS-HNNXBMFYSA-N 1 1 312.329 1.777 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000076066449 263328815 /nfs/dbraw/zinc/32/88/15/263328815.db2.gz DKFYHXZEQKVNIN-STQMWFEESA-N 1 1 314.411 1.226 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000183951681 263383597 /nfs/dbraw/zinc/38/35/97/263383597.db2.gz URFAOCUKTSOITI-VOTSOKGWSA-N 1 1 307.350 1.038 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292364794 274004799 /nfs/dbraw/zinc/00/47/99/274004799.db2.gz ROSAVQBQLCGLEG-OAHLLOKOSA-N 1 1 320.349 1.308 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000413481863 274017186 /nfs/dbraw/zinc/01/71/86/274017186.db2.gz UQSJJLFXHDYNRK-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](CCCO)CC1)CCN2 ZINC000275316221 275038652 /nfs/dbraw/zinc/03/86/52/275038652.db2.gz CTZXUOYLLRUFAQ-UHFFFAOYSA-N 1 1 306.366 1.067 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CCC[N@H+](CCO)CC3)ccnc21 ZINC000322142236 275039599 /nfs/dbraw/zinc/03/95/99/275039599.db2.gz JWJFTVOFNUMLNN-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331216886 276041843 /nfs/dbraw/zinc/04/18/43/276041843.db2.gz PVNYOXLRRUJJDD-UWVGGRQHSA-N 1 1 309.370 1.654 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000173898521 276204870 /nfs/dbraw/zinc/20/48/70/276204870.db2.gz BFXNMSWAUWAYDA-CQSZACIVSA-N 1 1 307.350 1.274 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000173898521 276204871 /nfs/dbraw/zinc/20/48/71/276204871.db2.gz BFXNMSWAUWAYDA-CQSZACIVSA-N 1 1 307.350 1.274 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000055171827 280897877 /nfs/dbraw/zinc/89/78/77/280897877.db2.gz AZBFQMIFQAAOQM-CYBMUJFWSA-N 1 1 318.333 1.924 20 5 DDBDMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932451 281030031 /nfs/dbraw/zinc/03/00/31/281030031.db2.gz JHGMMIAMAZEULC-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932451 281030033 /nfs/dbraw/zinc/03/00/33/281030033.db2.gz JHGMMIAMAZEULC-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330577755 281261191 /nfs/dbraw/zinc/26/11/91/281261191.db2.gz HBNUTEZEANYGQL-CHWSQXEVSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246630560 282003160 /nfs/dbraw/zinc/00/31/60/282003160.db2.gz AWSBLIBGLYVMAC-IUODEOHRSA-N 1 1 304.350 1.845 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCOC1 ZINC000247212246 282038703 /nfs/dbraw/zinc/03/87/03/282038703.db2.gz XZCLADODYOWOBH-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3cccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000425283445 290281263 /nfs/dbraw/zinc/28/12/63/290281263.db2.gz LWUOLHGQSQCRGW-GXFFZTMASA-N 1 1 304.350 1.224 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000354004237 298335932 /nfs/dbraw/zinc/33/59/32/298335932.db2.gz AVVLAZXEDVEDSC-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368578522 301056432 /nfs/dbraw/zinc/05/64/32/301056432.db2.gz NXAYONWCSCISKM-SNVBAGLBSA-N 1 1 321.333 1.159 20 5 DDBDMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012203 301119723 /nfs/dbraw/zinc/11/97/23/301119723.db2.gz UMXJYJZBBXLXBR-GXTWGEPZSA-N 1 1 312.370 1.214 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000369535741 301195954 /nfs/dbraw/zinc/19/59/54/301195954.db2.gz CDAZQCPDSRIJDA-HIFRSBDPSA-N 1 1 324.381 1.451 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000408028731 301204609 /nfs/dbraw/zinc/20/46/09/301204609.db2.gz FMMSCEYJTUAKGG-CHWSQXEVSA-N 1 1 306.366 1.516 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000376743409 302095849 /nfs/dbraw/zinc/09/58/49/302095849.db2.gz VJIPOTQFYRPVBQ-UHFFFAOYSA-N 1 1 304.354 1.983 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000537598611 303375410 /nfs/dbraw/zinc/37/54/10/303375410.db2.gz OKDKOLQQSGPOCL-LLVKDONJSA-N 1 1 311.769 1.859 20 5 DDBDMO COc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000357661763 306904172 /nfs/dbraw/zinc/90/41/72/306904172.db2.gz IANGVVBRPOZNSY-UHFFFAOYSA-N 1 1 303.322 1.653 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000362394290 307020766 /nfs/dbraw/zinc/02/07/66/307020766.db2.gz CDKPKVFWHYTGSH-LLVKDONJSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362394290 307020767 /nfs/dbraw/zinc/02/07/67/307020767.db2.gz CDKPKVFWHYTGSH-LLVKDONJSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362394290 307020768 /nfs/dbraw/zinc/02/07/68/307020768.db2.gz CDKPKVFWHYTGSH-LLVKDONJSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000377583437 307273624 /nfs/dbraw/zinc/27/36/24/307273624.db2.gz HWCIOCXYQZQPCB-FYJFLYSWSA-N 1 1 311.288 1.674 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000377642080 307275388 /nfs/dbraw/zinc/27/53/88/307275388.db2.gz ATLWESPPBDKBTQ-LLVKDONJSA-N 1 1 304.354 1.219 20 5 DDBDMO C[N@@H+](CCCCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434682856 307304142 /nfs/dbraw/zinc/30/41/42/307304142.db2.gz BGKVUGTYPHSPOR-HNNXBMFYSA-N 1 1 321.377 1.795 20 5 DDBDMO O=C1NCC[C@@]12CCC[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000575427384 308277158 /nfs/dbraw/zinc/27/71/58/308277158.db2.gz PYOCWAIRKBMDRX-HNNXBMFYSA-N 1 1 305.334 1.328 20 5 DDBDMO O=C1NCC[C@@]12CCC[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000575427384 308277159 /nfs/dbraw/zinc/27/71/59/308277159.db2.gz PYOCWAIRKBMDRX-HNNXBMFYSA-N 1 1 305.334 1.328 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000582724547 337125709 /nfs/dbraw/zinc/12/57/09/337125709.db2.gz ZVZXYFQCZZVFDK-DZGCQCFKSA-N 1 1 317.349 1.037 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000584448322 337339000 /nfs/dbraw/zinc/33/90/00/337339000.db2.gz NFDPFSMZUKRPEP-CYBMUJFWSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000584448322 337339001 /nfs/dbraw/zinc/33/90/01/337339001.db2.gz NFDPFSMZUKRPEP-CYBMUJFWSA-N 1 1 307.350 1.656 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000433165941 528025392 /nfs/dbraw/zinc/02/53/92/528025392.db2.gz JGCJBLGHAHMGIU-AWEZNQCLSA-N 1 1 312.366 1.691 20 5 DDBDMO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000302175985 528120737 /nfs/dbraw/zinc/12/07/37/528120737.db2.gz WGQNLDRMEJZEGN-UHFFFAOYSA-N 1 1 305.338 1.153 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000457727080 528984250 /nfs/dbraw/zinc/98/42/50/528984250.db2.gz SFFPKXFXHDIYED-UHFFFAOYSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668798 599590635 /nfs/dbraw/zinc/59/06/35/599590635.db2.gz WOKYVNOMPPLBJS-ONGXEEELSA-N 1 1 317.353 1.670 20 5 DDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119739419 696684942 /nfs/dbraw/zinc/68/49/42/696684942.db2.gz ITVIGVXZEHJRRF-SECBINFHSA-N 1 1 319.408 1.276 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153538678 696916816 /nfs/dbraw/zinc/91/68/16/696916816.db2.gz XBESYVHINLJIHS-NSHDSACASA-N 1 1 322.321 1.669 20 5 DDBDMO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000983649684 697286389 /nfs/dbraw/zinc/28/63/89/697286389.db2.gz QIMDENWXVLOHJS-KLHDSHLOSA-N 1 1 317.389 1.645 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000177215357 697411190 /nfs/dbraw/zinc/41/11/90/697411190.db2.gz HVKRNRHHHKUJDP-HNNXBMFYSA-N 1 1 318.333 1.787 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000775577632 698011454 /nfs/dbraw/zinc/01/14/54/698011454.db2.gz QEKFTLUOSJBKQD-VXGBXAGGSA-N 1 1 307.350 1.493 20 5 DDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000776604709 698125944 /nfs/dbraw/zinc/12/59/44/698125944.db2.gz FDFSJJPFMMKITK-WDEREUQCSA-N 1 1 308.256 1.483 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000776604709 698125945 /nfs/dbraw/zinc/12/59/45/698125945.db2.gz FDFSJJPFMMKITK-WDEREUQCSA-N 1 1 308.256 1.483 20 5 DDBDMO Cc1nn(CN2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000779860190 698476536 /nfs/dbraw/zinc/47/65/36/698476536.db2.gz UTLDGGAVQBLHQK-UHFFFAOYSA-N 1 1 321.406 1.937 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)C2CCOCC2)cc1 ZINC000781983005 698669266 /nfs/dbraw/zinc/66/92/66/698669266.db2.gz QJDLONHGJXORFS-HNNXBMFYSA-N 1 1 310.350 1.102 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CCO ZINC000783680862 698867665 /nfs/dbraw/zinc/86/76/65/698867665.db2.gz WLDUEAYRDZQGQX-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000787328293 699206097 /nfs/dbraw/zinc/20/60/97/699206097.db2.gz QKQBRDZKFRECBF-ZLKJLUDKSA-N 1 1 308.334 1.512 20 5 DDBDMO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000704906191 699238550 /nfs/dbraw/zinc/23/85/50/699238550.db2.gz HMTQHGGTGJYSRU-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CN1 ZINC000789767331 699407272 /nfs/dbraw/zinc/40/72/72/699407272.db2.gz IHYQQYABKMQJGI-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741156996 699818565 /nfs/dbraw/zinc/81/85/65/699818565.db2.gz OBCQDEBKESILPH-ZDUSSCGKSA-N 1 1 316.741 1.604 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000741156996 699818567 /nfs/dbraw/zinc/81/85/67/699818567.db2.gz OBCQDEBKESILPH-ZDUSSCGKSA-N 1 1 316.741 1.604 20 5 DDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000753452822 700435198 /nfs/dbraw/zinc/43/51/98/700435198.db2.gz OJXAWRVWGOMSDM-LBPRGKRZSA-N 1 1 324.356 1.018 20 5 DDBDMO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000753452822 700435200 /nfs/dbraw/zinc/43/52/00/700435200.db2.gz OJXAWRVWGOMSDM-LBPRGKRZSA-N 1 1 324.356 1.018 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761066246 700837841 /nfs/dbraw/zinc/83/78/41/700837841.db2.gz BFAHBINMVXCTCI-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761066246 700837842 /nfs/dbraw/zinc/83/78/42/700837842.db2.gz BFAHBINMVXCTCI-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761066246 700837844 /nfs/dbraw/zinc/83/78/44/700837844.db2.gz BFAHBINMVXCTCI-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636457 701761705 /nfs/dbraw/zinc/76/17/05/701761705.db2.gz SJTBTCKHEMACLK-JSGCOSHPSA-N 1 1 307.350 1.038 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879214392 706616852 /nfs/dbraw/zinc/61/68/52/706616852.db2.gz QSVROAPUFFUICX-NWDGAFQWSA-N 1 1 319.365 1.278 20 5 DDBDMO C[C@@H]1CSCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927796 701835188 /nfs/dbraw/zinc/83/51/88/701835188.db2.gz OMWUBFXVHLOEEN-YGRLFVJLSA-N 1 1 309.391 1.733 20 5 DDBDMO C[N@H+](CC1CC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839969361 701883483 /nfs/dbraw/zinc/88/34/83/701883483.db2.gz OARUWVOBJLCVNS-OAHLLOKOSA-N 1 1 305.334 1.831 20 5 DDBDMO C[N@@H+](CC1CC1)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839969361 701883489 /nfs/dbraw/zinc/88/34/89/701883489.db2.gz OARUWVOBJLCVNS-OAHLLOKOSA-N 1 1 305.334 1.831 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868075533 701927202 /nfs/dbraw/zinc/92/72/02/701927202.db2.gz KXLFDLNUDGUOPQ-ZFWWWQNUSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000840218223 702032670 /nfs/dbraw/zinc/03/26/70/702032670.db2.gz CBAKMWCWASWULI-LBPRGKRZSA-N 1 1 323.349 1.174 20 5 DDBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@H]1CCOC1 ZINC000812297270 702140764 /nfs/dbraw/zinc/14/07/64/702140764.db2.gz WQXTXTHDIPRSAG-NSHDSACASA-N 1 1 305.338 1.716 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@@H+](C)C1 ZINC000843990265 702949833 /nfs/dbraw/zinc/94/98/33/702949833.db2.gz SSRVTIFMSFBWKJ-SNVBAGLBSA-N 1 1 307.354 1.128 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000844020773 702956632 /nfs/dbraw/zinc/95/66/32/702956632.db2.gz FYWPJYNGOCEOLG-TXEJJXNPSA-N 1 1 322.365 1.171 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000844020773 702956633 /nfs/dbraw/zinc/95/66/33/702956633.db2.gz FYWPJYNGOCEOLG-TXEJJXNPSA-N 1 1 322.365 1.171 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879576438 706724775 /nfs/dbraw/zinc/72/47/75/706724775.db2.gz SCGJMWIDCQPDKF-JSGCOSHPSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848478691 703555030 /nfs/dbraw/zinc/55/50/30/703555030.db2.gz QURMULKENIFCHM-LSDHHAIUSA-N 1 1 319.361 1.589 20 5 DDBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848478691 703555031 /nfs/dbraw/zinc/55/50/31/703555031.db2.gz QURMULKENIFCHM-LSDHHAIUSA-N 1 1 319.361 1.589 20 5 DDBDMO CC1(C)OC[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000851730106 703839421 /nfs/dbraw/zinc/83/94/21/703839421.db2.gz VDPWQPDIXBHEGK-HNNXBMFYSA-N 1 1 321.377 1.868 20 5 DDBDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869785079 703852854 /nfs/dbraw/zinc/85/28/54/703852854.db2.gz BGNAHSQZFHAZQV-ZDUSSCGKSA-N 1 1 321.377 1.478 20 5 DDBDMO O=C1NCC2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)O1 ZINC000851967866 703893231 /nfs/dbraw/zinc/89/32/31/703893231.db2.gz OOPTTXAPOWMVBR-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296560 704000203 /nfs/dbraw/zinc/00/02/03/704000203.db2.gz XPKGFQVSDJFYPU-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296560 704000207 /nfs/dbraw/zinc/00/02/07/704000207.db2.gz XPKGFQVSDJFYPU-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000852437700 704048574 /nfs/dbraw/zinc/04/85/74/704048574.db2.gz FPWBONWPEWWPNH-GFCCVEGCSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000852437700 704048575 /nfs/dbraw/zinc/04/85/75/704048575.db2.gz FPWBONWPEWWPNH-GFCCVEGCSA-N 1 1 321.333 1.630 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000852495437 704062204 /nfs/dbraw/zinc/06/22/04/704062204.db2.gz KXFFXVZGFSMXHA-BPLDGKMQSA-N 1 1 319.361 1.229 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852569053 704076994 /nfs/dbraw/zinc/07/69/94/704076994.db2.gz AKKSLMLRDSBZES-ZDUSSCGKSA-N 1 1 311.338 1.258 20 5 DDBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789998 704133003 /nfs/dbraw/zinc/13/30/03/704133003.db2.gz LXJYCTUEUGYULM-VXGBXAGGSA-N 1 1 310.354 1.597 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000819953182 704192059 /nfs/dbraw/zinc/19/20/59/704192059.db2.gz LFTLDJNSWFBKAG-JOYOIKCWSA-N 1 1 303.322 1.661 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000853559586 704269799 /nfs/dbraw/zinc/26/97/99/704269799.db2.gz ZRYCSAWTVAASGR-ZDUSSCGKSA-N 1 1 320.349 1.558 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000853559586 704269802 /nfs/dbraw/zinc/26/98/02/704269802.db2.gz ZRYCSAWTVAASGR-ZDUSSCGKSA-N 1 1 320.349 1.558 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@](C)(O)c1ccccc1 ZINC000823592240 705274911 /nfs/dbraw/zinc/27/49/11/705274911.db2.gz QLZAVHRHJOJNME-HNNXBMFYSA-N 1 1 304.350 1.631 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921355 705340002 /nfs/dbraw/zinc/34/00/02/705340002.db2.gz SYKUTGBXWHAQEH-NSHDSACASA-N 1 1 307.354 1.783 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000823973428 705348351 /nfs/dbraw/zinc/34/83/51/705348351.db2.gz HXDKATVXWYGRJV-RNCFNFMXSA-N 1 1 323.353 1.018 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000823973428 705348356 /nfs/dbraw/zinc/34/83/56/705348356.db2.gz HXDKATVXWYGRJV-RNCFNFMXSA-N 1 1 323.353 1.018 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000861033930 705353955 /nfs/dbraw/zinc/35/39/55/705353955.db2.gz ZCJANXAHKVZQIB-LBPRGKRZSA-N 1 1 323.349 1.445 20 5 DDBDMO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000893877084 710870962 /nfs/dbraw/zinc/87/09/62/710870962.db2.gz RXYLAKIAGIKINF-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098959 705599547 /nfs/dbraw/zinc/59/95/47/705599547.db2.gz RAHWASLORUWKMO-DOMZBBRYSA-N 1 1 321.377 1.476 20 5 DDBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862542593 705729578 /nfs/dbraw/zinc/72/95/78/705729578.db2.gz UQZFDJWOPHJYHO-MRVPVSSYSA-N 1 1 301.730 1.746 20 5 DDBDMO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)OCCCO1 ZINC000877475567 706117461 /nfs/dbraw/zinc/11/74/61/706117461.db2.gz TTXPRZOVJHOTPM-UHFFFAOYSA-N 1 1 307.306 1.979 20 5 DDBDMO CN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1=O ZINC000877719746 706188007 /nfs/dbraw/zinc/18/80/07/706188007.db2.gz GXUQAIWWLICFOK-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1=O ZINC000877719746 706188009 /nfs/dbraw/zinc/18/80/09/706188009.db2.gz GXUQAIWWLICFOK-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000878659568 706459831 /nfs/dbraw/zinc/45/98/31/706459831.db2.gz FREYNCURPIQUHT-LBPRGKRZSA-N 1 1 320.393 1.456 20 5 DDBDMO Cc1c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880070707 706870303 /nfs/dbraw/zinc/87/03/03/706870303.db2.gz KZLHFZCLNKZAHX-LSDHHAIUSA-N 1 1 305.378 1.544 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880425997 706970717 /nfs/dbraw/zinc/97/07/17/706970717.db2.gz RFROUJYYEIGOJR-HIFRSBDPSA-N 1 1 310.350 1.839 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432288 706973577 /nfs/dbraw/zinc/97/35/77/706973577.db2.gz NAQPICPLXRZSMY-UONOGXRCSA-N 1 1 320.349 1.707 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432288 706973579 /nfs/dbraw/zinc/97/35/79/706973579.db2.gz NAQPICPLXRZSMY-UONOGXRCSA-N 1 1 320.349 1.707 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000880608609 707038626 /nfs/dbraw/zinc/03/86/26/707038626.db2.gz FGWBMADIUHKRJV-AOOOYVTPSA-N 1 1 324.356 1.871 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000882960624 707873392 /nfs/dbraw/zinc/87/33/92/707873392.db2.gz QDWGREATYHRWAH-SECBINFHSA-N 1 1 306.322 1.432 20 5 DDBDMO CCOc1cc(N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000897099208 708230000 /nfs/dbraw/zinc/23/00/00/708230000.db2.gz XLGVOUBKRFUBHI-UHFFFAOYSA-N 1 1 322.409 1.677 20 5 DDBDMO CC(C)(CCC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1)[N+](=O)[O-] ZINC000885888706 708655197 /nfs/dbraw/zinc/65/51/97/708655197.db2.gz OBMICPHHFMYOQY-CYBMUJFWSA-N 1 1 313.398 1.191 20 5 DDBDMO C[C@](O)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067226 708691497 /nfs/dbraw/zinc/69/14/97/708691497.db2.gz IPYOMZYTXVUBMZ-RNCFNFMXSA-N 1 1 316.308 1.492 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000886595687 708787262 /nfs/dbraw/zinc/78/72/62/708787262.db2.gz NVOPJYFJSVWIAL-ZDUSSCGKSA-N 1 1 306.366 1.792 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000886595687 708787267 /nfs/dbraw/zinc/78/72/67/708787267.db2.gz NVOPJYFJSVWIAL-ZDUSSCGKSA-N 1 1 306.366 1.792 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887931740 709169040 /nfs/dbraw/zinc/16/90/40/709169040.db2.gz GOMPOVCVISWDIZ-CJNGLKHVSA-N 1 1 303.362 1.547 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887934719 709170602 /nfs/dbraw/zinc/17/06/02/709170602.db2.gz RQDROZYNEZGNRV-BMIGLBTASA-N 1 1 307.325 1.758 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889780169 709631170 /nfs/dbraw/zinc/63/11/70/709631170.db2.gz IPIMDYMXYREFAD-LSDHHAIUSA-N 1 1 319.361 1.266 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920930 713125305 /nfs/dbraw/zinc/12/53/05/713125305.db2.gz DQTFYZNDBKTEGC-LLVKDONJSA-N 1 1 315.333 1.391 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910281808 709863377 /nfs/dbraw/zinc/86/33/77/709863377.db2.gz DWXGYGHNGRZSEO-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000893391567 710632667 /nfs/dbraw/zinc/63/26/67/710632667.db2.gz MPISPAWPGVOKNK-GFCCVEGCSA-N 1 1 308.334 1.862 20 5 DDBDMO CC[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C1CC1 ZINC000911473398 710812729 /nfs/dbraw/zinc/81/27/29/710812729.db2.gz BVIFSURJJMVXEV-UHFFFAOYSA-N 1 1 313.304 1.974 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637877 710833154 /nfs/dbraw/zinc/83/31/54/710833154.db2.gz KTQAUNVEMMGILO-GXTWGEPZSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637877 710833155 /nfs/dbraw/zinc/83/31/55/710833155.db2.gz KTQAUNVEMMGILO-GXTWGEPZSA-N 1 1 317.349 1.920 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893941814 710894805 /nfs/dbraw/zinc/89/48/05/710894805.db2.gz WWXPVMKHDVDUOZ-PWSUYJOCSA-N 1 1 320.349 1.307 20 5 DDBDMO COc1cc([C@@H](C)[NH2+]CC(=O)NCC(F)F)cc([N+](=O)[O-])c1 ZINC000903168590 711053411 /nfs/dbraw/zinc/05/34/11/711053411.db2.gz YGPRNSTULKEDLP-MRVPVSSYSA-N 1 1 317.292 1.635 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317499 711095796 /nfs/dbraw/zinc/09/57/96/711095796.db2.gz LRRAXEWTSGNXDW-GJZGRUSLSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317499 711095800 /nfs/dbraw/zinc/09/58/00/711095800.db2.gz LRRAXEWTSGNXDW-GJZGRUSLSA-N 1 1 315.377 1.711 20 5 DDBDMO C[N@H+]1CC[C@@H](Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000904022654 711365254 /nfs/dbraw/zinc/36/52/54/711365254.db2.gz GRFYHYBHVJVFIP-JTQLQIEISA-N 1 1 303.322 1.458 20 5 DDBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3CNOC3)o2)c([N+](=O)[O-])c1 ZINC000904425126 711856268 /nfs/dbraw/zinc/85/62/68/711856268.db2.gz ZCJLNGMCNSDALI-SNVBAGLBSA-N 1 1 319.317 1.856 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908052257 712672246 /nfs/dbraw/zinc/67/22/46/712672246.db2.gz CAOPPTACMUFTSA-GOEBONIOSA-N 1 1 321.377 1.051 20 5 DDBDMO COc1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000921611794 713821486 /nfs/dbraw/zinc/82/14/86/713821486.db2.gz JXEJYHQUNAGMCK-UHFFFAOYSA-N 1 1 318.333 1.620 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914216 713957198 /nfs/dbraw/zinc/95/71/98/713957198.db2.gz GWZRQAHPYKHLRD-FRRDWIJNSA-N 1 1 321.377 1.948 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915426 713957378 /nfs/dbraw/zinc/95/73/78/713957378.db2.gz KWSXGMHCKRNEFO-LALPHHSUSA-N 1 1 321.377 1.948 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915428 713957567 /nfs/dbraw/zinc/95/75/67/713957567.db2.gz KWSXGMHCKRNEFO-XUJVJEKNSA-N 1 1 321.377 1.948 20 5 DDBDMO O=[N+]([O-])c1ccc(CN(C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923372389 714332331 /nfs/dbraw/zinc/33/23/31/714332331.db2.gz GKRKOWJOVWLTAD-MRXNPFEDSA-N 1 1 317.389 1.938 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117632 714746037 /nfs/dbraw/zinc/74/60/37/714746037.db2.gz HROOBCPPKROSOL-CABCVRRESA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117632 714746039 /nfs/dbraw/zinc/74/60/39/714746039.db2.gz HROOBCPPKROSOL-CABCVRRESA-N 1 1 319.361 1.593 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000925422597 714851432 /nfs/dbraw/zinc/85/14/32/714851432.db2.gz ZZWOADTWQXPCAH-LBPRGKRZSA-N 1 1 320.349 1.072 20 5 DDBDMO O=C(NC1CC2(C1)CC([NH2+]C/C=C\Cl)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001121087661 782350998 /nfs/dbraw/zinc/35/09/98/782350998.db2.gz SNFVQOUUTSGQLS-YAGBSGNHSA-N 1 1 313.785 1.421 20 5 DDBDMO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063581 734368336 /nfs/dbraw/zinc/36/83/36/734368336.db2.gz DXWJECGVSSMYCO-HLPPOEQASA-N 1 1 317.389 1.705 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063454 734368651 /nfs/dbraw/zinc/36/86/51/734368651.db2.gz BPRVZMZHMLITGY-XJFOESAGSA-N 1 1 307.325 1.228 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208402 743782389 /nfs/dbraw/zinc/78/23/89/743782389.db2.gz KBTPCSOUHKYHAL-DGCLKSJQSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208402 743782387 /nfs/dbraw/zinc/78/23/87/743782387.db2.gz KBTPCSOUHKYHAL-DGCLKSJQSA-N 1 1 300.742 1.566 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCCCF)CC1 ZINC001195762112 746688927 /nfs/dbraw/zinc/68/89/27/746688927.db2.gz WVMMZWSRJBGTAP-CHWSQXEVSA-N 1 1 301.362 1.326 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCCCF)CC1 ZINC001195762112 746688929 /nfs/dbraw/zinc/68/89/29/746688929.db2.gz WVMMZWSRJBGTAP-CHWSQXEVSA-N 1 1 301.362 1.326 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCCCF)CC1 ZINC001195762112 746688932 /nfs/dbraw/zinc/68/89/32/746688932.db2.gz WVMMZWSRJBGTAP-CHWSQXEVSA-N 1 1 301.362 1.326 20 5 DDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccn[nH]1 ZINC001031558584 747027977 /nfs/dbraw/zinc/02/79/77/747027977.db2.gz ZTDRUMUCLYUNFL-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759129 747248357 /nfs/dbraw/zinc/24/83/57/747248357.db2.gz NBKNNJQCOGSYSI-JSGCOSHPSA-N 1 1 322.365 1.022 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759129 747248360 /nfs/dbraw/zinc/24/83/60/747248360.db2.gz NBKNNJQCOGSYSI-JSGCOSHPSA-N 1 1 322.365 1.022 20 5 DDBDMO O=C(N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169011891 762177944 /nfs/dbraw/zinc/17/79/44/762177944.db2.gz NGLQVFVMIOGKKA-NXEZZACHSA-N 1 1 309.288 1.138 20 5 DDBDMO COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050663 762206869 /nfs/dbraw/zinc/20/68/69/762206869.db2.gz CHCYGVHIMOSZOM-BFHYXJOUSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138821 760612950 /nfs/dbraw/zinc/61/29/50/760612950.db2.gz BPRVZMZHMLITGY-AAVRWANBSA-N 1 1 307.325 1.228 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083310 760943671 /nfs/dbraw/zinc/94/36/71/760943671.db2.gz UVNLJVZISLZWNM-QKPAOTATSA-N 1 1 317.389 1.379 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084358 760944842 /nfs/dbraw/zinc/94/48/42/760944842.db2.gz NXMURTOLNLLCFA-FAAHXZRKSA-N 1 1 321.421 1.716 20 5 DDBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170346630 766277244 /nfs/dbraw/zinc/27/72/44/766277244.db2.gz OWUZMLKAXUCNCE-NSHDSACASA-N 1 1 309.366 1.602 20 5 DDBDMO O=C(NCCC[NH2+]Cc1sccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001157767821 766566910 /nfs/dbraw/zinc/56/69/10/766566910.db2.gz WAFZGLJUJAFQFO-PSASIEDQSA-N 1 1 317.798 1.663 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)c1F ZINC001173181332 777035235 /nfs/dbraw/zinc/03/52/35/777035235.db2.gz OQGPBRHMPRPQTN-OUJBWJOFSA-N 1 1 312.341 1.986 20 5 DDBDMO Cc1cc(N(C(N)=[NH2+])[C@H](C)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001173226493 777062689 /nfs/dbraw/zinc/06/26/89/777062689.db2.gz MCSLPNVPAGMQJR-SNVBAGLBSA-N 1 1 302.338 1.957 20 5 DDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC001178455280 779057429 /nfs/dbraw/zinc/05/74/29/779057429.db2.gz DGNQZVWTBHZOAY-VIFPVBQESA-N 1 1 324.312 1.126 20 5 DDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001178455280 779057434 /nfs/dbraw/zinc/05/74/34/779057434.db2.gz DGNQZVWTBHZOAY-VIFPVBQESA-N 1 1 324.312 1.126 20 5 DDBDMO Cc1nc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001120059081 781741987 /nfs/dbraw/zinc/74/19/87/781741987.db2.gz CZZSBHCZNFTIBZ-JQWIXIFHSA-N 1 1 309.395 1.685 20 5 DDBDMO O=C(NC1(C[NH2+]Cc2ccsc2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269545616 841748210 /nfs/dbraw/zinc/74/82/10/841748210.db2.gz WWDAWCCFBFUTRV-CHWSQXEVSA-N 1 1 323.418 1.932 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001328431112 862970901 /nfs/dbraw/zinc/97/09/01/862970901.db2.gz CFTBYDZVUWKSQA-LLVKDONJSA-N 1 1 322.321 1.717 20 5 DDBDMO Cc1ccccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001122840870 858984659 /nfs/dbraw/zinc/98/46/59/858984659.db2.gz VIMYFAULJKTEAE-UHFFFAOYSA-N 1 1 317.349 1.156 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001123003175 859049376 /nfs/dbraw/zinc/04/93/76/859049376.db2.gz RHLDJEYWVMVRDE-VXGBXAGGSA-N 1 1 308.338 1.270 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761414 864111508 /nfs/dbraw/zinc/11/15/08/864111508.db2.gz RNJXGAAWZSUKEG-ZWNOBZJWSA-N 1 1 313.304 1.226 20 5 DDBDMO Cc1cccc(CCC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157766813 864115466 /nfs/dbraw/zinc/11/54/66/864115466.db2.gz AAGGJQQXXHAHDR-HZPDHXFCSA-N 1 1 319.405 1.689 20 5 DDBDMO Cc1nn(C(C)C)cc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775599 864130995 /nfs/dbraw/zinc/13/09/95/864130995.db2.gz RLXPIYZJJOIRQH-ZIAGYGMSSA-N 1 1 323.397 1.034 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3CC[C@H]3C2)c1[N+](=O)[O-] ZINC001158432742 864653095 /nfs/dbraw/zinc/65/30/95/864653095.db2.gz YZFQCDXFSDWYIT-JTQLQIEISA-N 1 1 306.322 1.061 20 5 DDBDMO COc1nc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160722699 866066490 /nfs/dbraw/zinc/06/64/90/866066490.db2.gz IDZJJQQQALMZNO-VXGBXAGGSA-N 1 1 322.365 1.664 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001333216289 866528161 /nfs/dbraw/zinc/52/81/61/866528161.db2.gz UUNXPZIEIZNOLN-XHDPSFHLSA-N 1 1 309.341 1.977 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@H]3CCNC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001162337983 867469496 /nfs/dbraw/zinc/46/94/96/867469496.db2.gz DIHXPQOZYBYPOC-NSHDSACASA-N 1 1 318.377 1.521 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@H]3CCNC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001162337983 867469506 /nfs/dbraw/zinc/46/95/06/867469506.db2.gz DIHXPQOZYBYPOC-NSHDSACASA-N 1 1 318.377 1.521 20 5 DDBDMO CC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494926 869234126 /nfs/dbraw/zinc/23/41/26/869234126.db2.gz YNNIGXHLCIXAQW-LSMGEYOZSA-N 1 1 309.410 1.884 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cc(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001165261592 869474500 /nfs/dbraw/zinc/47/45/00/869474500.db2.gz RPYSAYARJZOWGI-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO COc1nc(C)nc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001165261659 869474722 /nfs/dbraw/zinc/47/47/22/869474722.db2.gz RXMFCQKTEYPRGL-LLVKDONJSA-N 1 1 309.370 1.846 20 5 DDBDMO C[C@@H]1CC[N@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493461 870011438 /nfs/dbraw/zinc/01/14/38/870011438.db2.gz ZTDOGKHZGBKAJG-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001338493461 870011452 /nfs/dbraw/zinc/01/14/52/870011452.db2.gz ZTDOGKHZGBKAJG-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO CN(C)C(=O)CN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166663870 870137632 /nfs/dbraw/zinc/13/76/32/870137632.db2.gz NBYZRTHFDBEFGQ-VOTSOKGWSA-N 1 1 307.354 1.047 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001339998978 870829217 /nfs/dbraw/zinc/82/92/17/870829217.db2.gz LEMQLKCQLXUNRB-ZMLRMANQSA-N 1 1 320.349 1.529 20 5 DDBDMO Cc1[nH+]ccn1CCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC001307339180 871422711 /nfs/dbraw/zinc/42/27/11/871422711.db2.gz DWUSTHAYJQDZSQ-UHFFFAOYSA-N 1 1 315.289 1.617 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2ccn(-c3ccccc3[N+](=O)[O-])n2)o1 ZINC001341628743 871744033 /nfs/dbraw/zinc/74/40/33/871744033.db2.gz YKWXSRSCQAVUFH-UHFFFAOYSA-N 1 1 314.305 1.892 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CCc2occc21 ZINC001343188266 872530119 /nfs/dbraw/zinc/53/01/19/872530119.db2.gz OXLHJBMAVCLKHA-OAHLLOKOSA-N 1 1 315.329 1.734 20 5 DDBDMO C[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227093058 882825684 /nfs/dbraw/zinc/82/56/84/882825684.db2.gz RPFYUYOHDAUPMO-SNVBAGLBSA-N 1 1 304.306 1.717 20 5 DDBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000405383498 877156903 /nfs/dbraw/zinc/15/69/03/877156903.db2.gz IEISAYDKQVMLRV-UHFFFAOYSA-N 1 1 321.786 1.229 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001353890947 877633564 /nfs/dbraw/zinc/63/35/64/877633564.db2.gz AUHQEYQEAUPPBR-LLVKDONJSA-N 1 1 309.370 1.127 20 5 DDBDMO N[C@H]1C[NH2+][C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218980182 877851597 /nfs/dbraw/zinc/85/15/97/877851597.db2.gz VQGCPAUGKASTMW-RISCZKNCSA-N 1 1 307.357 1.411 20 5 DDBDMO C[N@@H+]1CCO[C@@H](COCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224095711 881212592 /nfs/dbraw/zinc/21/25/92/881212592.db2.gz CTEQSUSHZZGJFH-GFCCVEGCSA-N 1 1 311.294 1.350 20 5 DDBDMO C[N@H+]1CCO[C@@H](COCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224095711 881212608 /nfs/dbraw/zinc/21/26/08/881212608.db2.gz CTEQSUSHZZGJFH-GFCCVEGCSA-N 1 1 311.294 1.350 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001227743442 883153556 /nfs/dbraw/zinc/15/35/56/883153556.db2.gz PHWGAQKUSQBOTE-LLVKDONJSA-N 1 1 306.322 1.571 20 5 DDBDMO COC(=O)c1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001227897115 883219374 /nfs/dbraw/zinc/21/93/74/883219374.db2.gz NIKDEKDVTZGSCL-SNVBAGLBSA-N 1 1 317.301 1.972 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859549 892947660 /nfs/dbraw/zinc/94/76/60/892947660.db2.gz LFPFGSWILVNELD-ILMGOGQSSA-N 1 1 305.378 1.431 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602837 896526511 /nfs/dbraw/zinc/52/65/11/896526511.db2.gz JDANSAISMCNIDG-CABCVRRESA-N 1 1 303.362 1.615 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001262826285 900387966 /nfs/dbraw/zinc/38/79/66/900387966.db2.gz GXWCKKDOLBDUGO-RWMBFGLXSA-N 1 1 319.361 1.673 20 5 DDBDMO Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001265843268 902478332 /nfs/dbraw/zinc/47/83/32/902478332.db2.gz XWCDGPVBFWRLOE-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001265843268 902478338 /nfs/dbraw/zinc/47/83/38/902478338.db2.gz XWCDGPVBFWRLOE-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001265843268 902478345 /nfs/dbraw/zinc/47/83/45/902478345.db2.gz XWCDGPVBFWRLOE-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286540062 219043700 /nfs/dbraw/zinc/04/37/00/219043700.db2.gz RUSARBMIQOVBKN-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NCCC[NH+]1CCOCC1)CCN2 ZINC000278365096 214119396 /nfs/dbraw/zinc/11/93/96/214119396.db2.gz KNNVFBJTNCBUIU-UHFFFAOYSA-N 1 1 306.366 1.697 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451730761 529389084 /nfs/dbraw/zinc/38/90/84/529389084.db2.gz PSYBRLHSJWFPSG-CQSZACIVSA-N 1 1 320.393 1.610 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CCCO1 ZINC000278718884 214351296 /nfs/dbraw/zinc/35/12/96/214351296.db2.gz VVNGCPSVSQBWKN-NSHDSACASA-N 1 1 311.338 1.419 20 5 DDBDMO CN(C)c1ccccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000289153298 282300239 /nfs/dbraw/zinc/30/02/39/282300239.db2.gz ZUMYVQSIESHEKY-UHFFFAOYSA-N 1 1 303.366 1.989 20 5 DDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295296580 529933354 /nfs/dbraw/zinc/93/33/54/529933354.db2.gz FCELOYXKWKECTB-HOTGVXAUSA-N 1 1 305.378 1.542 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000616369950 362664491 /nfs/dbraw/zinc/66/44/91/362664491.db2.gz DZZABXWMAGTHBS-LBPRGKRZSA-N 1 1 320.349 1.673 20 5 DDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000358468199 299163234 /nfs/dbraw/zinc/16/32/34/299163234.db2.gz QDBMKPGCJSPCBS-AWEZNQCLSA-N 1 1 321.352 1.972 20 5 DDBDMO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138208969 186015196 /nfs/dbraw/zinc/01/51/96/186015196.db2.gz KZAPWKHISZXBMY-GHMZBOCLSA-N 1 1 323.397 1.804 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100139 219312164 /nfs/dbraw/zinc/31/21/64/219312164.db2.gz LIENOEOBFRFOQW-CMPLNLGQSA-N 1 1 321.381 1.579 20 5 DDBDMO Cn1cc(C[NH+]2CC(C)(CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459618405 233376781 /nfs/dbraw/zinc/37/67/81/233376781.db2.gz FWSBFBNQMTUTJB-UHFFFAOYSA-N 1 1 316.361 1.810 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682607 186097166 /nfs/dbraw/zinc/09/71/66/186097166.db2.gz PXQXDRABJSXNJL-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682607 186097167 /nfs/dbraw/zinc/09/71/67/186097167.db2.gz PXQXDRABJSXNJL-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046861373 352465788 /nfs/dbraw/zinc/46/57/88/352465788.db2.gz YPGYNEMXOCGEEF-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000047287022 352489629 /nfs/dbraw/zinc/48/96/29/352489629.db2.gz WHOKHPUMAZIVRA-CHWSQXEVSA-N 1 1 304.350 1.534 20 5 DDBDMO CNC(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000053548401 352660073 /nfs/dbraw/zinc/66/00/73/352660073.db2.gz HWRIVWIFZHFUAT-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+](C)C1CC1 ZINC000057703841 352825028 /nfs/dbraw/zinc/82/50/28/352825028.db2.gz IQSFINHIQPVDEM-JTQLQIEISA-N 1 1 309.370 1.125 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057159504 352802428 /nfs/dbraw/zinc/80/24/28/352802428.db2.gz FHZDBNUAPGHFAN-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000068775798 353129506 /nfs/dbraw/zinc/12/95/06/353129506.db2.gz FPCMRHVMJNKONU-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174195826 198304792 /nfs/dbraw/zinc/30/47/92/198304792.db2.gz YCXZCRLNPFVJJO-ZDUSSCGKSA-N 1 1 319.361 1.389 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174334639 198321414 /nfs/dbraw/zinc/32/14/14/198321414.db2.gz SNABEVJSJGQKDA-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174334639 198321416 /nfs/dbraw/zinc/32/14/16/198321416.db2.gz SNABEVJSJGQKDA-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000079669497 353572240 /nfs/dbraw/zinc/57/22/40/353572240.db2.gz QOEVQDJXDBKWQX-UHFFFAOYSA-N 1 1 313.379 1.497 20 5 DDBDMO O=C1CCCN1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606421 353756908 /nfs/dbraw/zinc/75/69/08/353756908.db2.gz ZAOKZNJKFJMUTI-UHFFFAOYSA-N 1 1 303.362 1.965 20 5 DDBDMO O=C1CCCN1CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606421 353756911 /nfs/dbraw/zinc/75/69/11/353756911.db2.gz ZAOKZNJKFJMUTI-UHFFFAOYSA-N 1 1 303.362 1.965 20 5 DDBDMO C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000105199271 353934155 /nfs/dbraw/zinc/93/41/55/353934155.db2.gz WERRSDFBIMWHMK-LLVKDONJSA-N 1 1 306.366 1.877 20 5 DDBDMO CCc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157277073 354224235 /nfs/dbraw/zinc/22/42/35/354224235.db2.gz QJMLRCIQRMYOIY-IAQYHMDHSA-N 1 1 321.377 1.606 20 5 DDBDMO CCc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157277073 354224237 /nfs/dbraw/zinc/22/42/37/354224237.db2.gz QJMLRCIQRMYOIY-IAQYHMDHSA-N 1 1 321.377 1.606 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574580 355002372 /nfs/dbraw/zinc/00/23/72/355002372.db2.gz BNBTUNTVSHIXCL-WDEREUQCSA-N 1 1 319.365 1.152 20 5 DDBDMO CN1C[C@H]2[C@@H](CC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590011971 355040047 /nfs/dbraw/zinc/04/00/47/355040047.db2.gz NSJXUWKXIVKKHC-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1C[C@H]2[C@@H](CCN2CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590011971 355040050 /nfs/dbraw/zinc/04/00/50/355040050.db2.gz NSJXUWKXIVKKHC-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590011971 355040052 /nfs/dbraw/zinc/04/00/52/355040052.db2.gz NSJXUWKXIVKKHC-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590391502 355083524 /nfs/dbraw/zinc/08/35/24/355083524.db2.gz DJLMJNUWEPZUEI-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO CCOc1cc(C[N@@H+](C)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000276978014 213215344 /nfs/dbraw/zinc/21/53/44/213215344.db2.gz YAQGPVCTFIAJBN-UHFFFAOYSA-N 1 1 323.393 1.758 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590548468 355111354 /nfs/dbraw/zinc/11/13/54/355111354.db2.gz FBVBGUNVRJWQIY-STQMWFEESA-N 1 1 319.361 1.184 20 5 DDBDMO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591155721 355256486 /nfs/dbraw/zinc/25/64/86/355256486.db2.gz GDPCIDJXORKKPF-NSHDSACASA-N 1 1 311.361 1.567 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)c1[N+](=O)[O-] ZINC000592332241 355561190 /nfs/dbraw/zinc/56/11/90/355561190.db2.gz IBHYNZFRMRFOPC-ZJUUUORDSA-N 1 1 309.370 1.470 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)CC(C)C)n1 ZINC000593204579 355824030 /nfs/dbraw/zinc/82/40/30/355824030.db2.gz ZLAPVZYEHCCKGM-UHFFFAOYSA-N 1 1 311.386 1.519 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000593029328 355774638 /nfs/dbraw/zinc/77/46/38/355774638.db2.gz FFXPAVAPRACXDH-WFASDCNBSA-N 1 1 319.361 1.517 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593442524 355886518 /nfs/dbraw/zinc/88/65/18/355886518.db2.gz TXRFCRMPASJTEK-UHFFFAOYSA-N 1 1 306.297 1.598 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594386204 356191827 /nfs/dbraw/zinc/19/18/27/356191827.db2.gz NJVPCUVXQUMGRC-QWHCGFSZSA-N 1 1 319.361 1.103 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418786 356203741 /nfs/dbraw/zinc/20/37/41/356203741.db2.gz LAWMUTVBSARCJC-VXGBXAGGSA-N 1 1 320.349 1.442 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595357113 356462949 /nfs/dbraw/zinc/46/29/49/356462949.db2.gz YNHHWJOUKPHQHY-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742436 356631461 /nfs/dbraw/zinc/63/14/61/356631461.db2.gz GMDNDLJIJKUQOS-OZTPJHRESA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742436 356631466 /nfs/dbraw/zinc/63/14/66/356631466.db2.gz GMDNDLJIJKUQOS-OZTPJHRESA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000595744668 356631911 /nfs/dbraw/zinc/63/19/11/356631911.db2.gz LKPRLBYLASVLSC-VXGBXAGGSA-N 1 1 321.377 1.506 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595736344 356628300 /nfs/dbraw/zinc/62/83/00/356628300.db2.gz FAVGTCMYXPGLPT-RISCZKNCSA-N 1 1 319.361 1.704 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC4(COC4)C3)n2)c1 ZINC000595834393 356670414 /nfs/dbraw/zinc/67/04/14/356670414.db2.gz JHFGIQFPNQCFNO-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC4(COC4)C3)n2)c1 ZINC000595834393 356670416 /nfs/dbraw/zinc/67/04/16/356670416.db2.gz JHFGIQFPNQCFNO-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835111 356671509 /nfs/dbraw/zinc/67/15/09/356671509.db2.gz UNVHUHAKPXALEJ-QWHCGFSZSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835111 356671511 /nfs/dbraw/zinc/67/15/11/356671511.db2.gz UNVHUHAKPXALEJ-QWHCGFSZSA-N 1 1 319.361 1.810 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872681 356687073 /nfs/dbraw/zinc/68/70/73/356687073.db2.gz KQFWZSHIPVPKLP-MLGOLLRUSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872681 356687077 /nfs/dbraw/zinc/68/70/77/356687077.db2.gz KQFWZSHIPVPKLP-MLGOLLRUSA-N 1 1 321.377 1.508 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596268233 356839013 /nfs/dbraw/zinc/83/90/13/356839013.db2.gz GPYDAPKCOKBKQT-NSHDSACASA-N 1 1 306.366 1.614 20 5 DDBDMO Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596267907 356839040 /nfs/dbraw/zinc/83/90/40/356839040.db2.gz CEXQYMBJVGAFQU-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537449 356910192 /nfs/dbraw/zinc/91/01/92/356910192.db2.gz GKYCPLREYSZHAI-CYBMUJFWSA-N 1 1 323.397 1.155 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209891 357094896 /nfs/dbraw/zinc/09/48/96/357094896.db2.gz FJOFLBIOCGYQFG-BLLLJJGKSA-N 1 1 320.345 1.834 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597717022 357300090 /nfs/dbraw/zinc/30/00/90/357300090.db2.gz WJUGKYMVSQIDGF-OAHLLOKOSA-N 1 1 321.381 1.195 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597920397 357381957 /nfs/dbraw/zinc/38/19/57/357381957.db2.gz BEPWIOJUEBWBCR-LLVKDONJSA-N 1 1 323.397 1.515 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000598465719 357593123 /nfs/dbraw/zinc/59/31/23/357593123.db2.gz KBAMDTPTHVTUOG-UHFFFAOYSA-N 1 1 311.386 1.731 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000598512003 357610672 /nfs/dbraw/zinc/61/06/72/357610672.db2.gz VVZBCBSPKWHMNE-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000598512003 357610677 /nfs/dbraw/zinc/61/06/77/357610677.db2.gz VVZBCBSPKWHMNE-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647129 357669133 /nfs/dbraw/zinc/66/91/33/357669133.db2.gz BUTVSAKFMWVEFV-STQMWFEESA-N 1 1 324.377 1.933 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651462 357671442 /nfs/dbraw/zinc/67/14/42/357671442.db2.gz SVENGAPEZBXIAW-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651462 357671448 /nfs/dbraw/zinc/67/14/48/357671448.db2.gz SVENGAPEZBXIAW-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000599064848 357805875 /nfs/dbraw/zinc/80/58/75/357805875.db2.gz GCCASRPLBNQULM-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000599064848 357805880 /nfs/dbraw/zinc/80/58/80/357805880.db2.gz GCCASRPLBNQULM-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)ccc2cnccc21 ZINC000599198914 357847967 /nfs/dbraw/zinc/84/79/67/357847967.db2.gz ATFBQXVQPDLBNZ-LBPRGKRZSA-N 1 1 302.334 1.622 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000347912971 283298374 /nfs/dbraw/zinc/29/83/74/283298374.db2.gz LTVHKPFURJYCIC-NSHDSACASA-N 1 1 306.366 1.780 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599565999 357975393 /nfs/dbraw/zinc/97/53/93/357975393.db2.gz BBUPFEQEEALGLH-OAHLLOKOSA-N 1 1 324.333 1.238 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599786085 358059024 /nfs/dbraw/zinc/05/90/24/358059024.db2.gz CTNWIRHOZSJZQP-ZDUSSCGKSA-N 1 1 322.365 1.345 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599998932 358100256 /nfs/dbraw/zinc/10/02/56/358100256.db2.gz BAYIWXKERQCKHV-GDGBQDQQSA-N 1 1 307.354 1.073 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310436 358192351 /nfs/dbraw/zinc/19/23/51/358192351.db2.gz IWUVVGVINWMTPT-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO CC(C)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600534738 358250749 /nfs/dbraw/zinc/25/07/49/358250749.db2.gz OOJZQKWVUDNHGG-CYBMUJFWSA-N 1 1 321.377 1.515 20 5 DDBDMO CC(C)(C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600535830 358250834 /nfs/dbraw/zinc/25/08/34/358250834.db2.gz SQXBMYOMFBZDNF-CQSZACIVSA-N 1 1 321.377 1.055 20 5 DDBDMO C[N@@H+](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC000600823775 358326012 /nfs/dbraw/zinc/32/60/12/358326012.db2.gz RUPUIRDZKBPSOG-UHFFFAOYSA-N 1 1 319.361 1.669 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301212220 283368159 /nfs/dbraw/zinc/36/81/59/283368159.db2.gz XLTXFZYIEXFZKO-SNVBAGLBSA-N 1 1 319.365 1.518 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180931973 199228915 /nfs/dbraw/zinc/22/89/15/199228915.db2.gz GUSVYIBWFOXCSA-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO Cn1cc(C[NH2+][C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602550948 359040594 /nfs/dbraw/zinc/04/05/94/359040594.db2.gz GBHSAABTWIPAPY-AWEZNQCLSA-N 1 1 304.350 1.932 20 5 DDBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602472776 359001624 /nfs/dbraw/zinc/00/16/24/359001624.db2.gz PNTHPHGWRCUCJU-STQMWFEESA-N 1 1 324.381 1.080 20 5 DDBDMO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602678963 359120945 /nfs/dbraw/zinc/12/09/45/359120945.db2.gz GTCHKILUINLJAV-JTQLQIEISA-N 1 1 317.267 1.982 20 5 DDBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000602577937 359052611 /nfs/dbraw/zinc/05/26/11/359052611.db2.gz RLQBZOARTZJLIO-MLMJSJRWSA-N 1 1 322.390 1.917 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000602769909 359177916 /nfs/dbraw/zinc/17/79/16/359177916.db2.gz XIBOWZZJKUOYKO-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602843902 359232564 /nfs/dbraw/zinc/23/25/64/359232564.db2.gz LEGOTHFWKFPEIH-AWEZNQCLSA-N 1 1 310.354 1.375 20 5 DDBDMO C[NH+](C)C[C@]1(O)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000602875829 359258858 /nfs/dbraw/zinc/25/88/58/359258858.db2.gz ATJUCEFASORBSL-OAHLLOKOSA-N 1 1 309.366 1.189 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953485 359319402 /nfs/dbraw/zinc/31/94/02/359319402.db2.gz AAARNFYUVUCFQK-LBPRGKRZSA-N 1 1 321.381 1.526 20 5 DDBDMO C[C@](CO)([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963662 359326869 /nfs/dbraw/zinc/32/68/69/359326869.db2.gz YDAQMWLWCHBAMW-WDEREUQCSA-N 1 1 308.256 1.315 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[N@@H+](C)C1CC1 ZINC000186742902 200002522 /nfs/dbraw/zinc/00/25/22/200002522.db2.gz ZXRDWHAKFCYECK-GFCCVEGCSA-N 1 1 320.393 1.948 20 5 DDBDMO CN(C(=O)C[N@H+](C)CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000186786315 200009916 /nfs/dbraw/zinc/00/99/16/200009916.db2.gz RDCMFMKPSJKRRI-UHFFFAOYSA-N 1 1 307.350 1.262 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000186786315 200009918 /nfs/dbraw/zinc/00/99/18/200009918.db2.gz RDCMFMKPSJKRRI-UHFFFAOYSA-N 1 1 307.350 1.262 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186922084 200031360 /nfs/dbraw/zinc/03/13/60/200031360.db2.gz ROXWVCJZHQSACB-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1O ZINC000186875443 200025186 /nfs/dbraw/zinc/02/51/86/200025186.db2.gz JOIWIKXANJMOSS-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1O ZINC000186875443 200025187 /nfs/dbraw/zinc/02/51/87/200025187.db2.gz JOIWIKXANJMOSS-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1nn(C)c(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000603401246 359617250 /nfs/dbraw/zinc/61/72/50/359617250.db2.gz KLAPQGZBMONJCR-NSHDSACASA-N 1 1 323.397 1.326 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603403710 359619831 /nfs/dbraw/zinc/61/98/31/359619831.db2.gz UHKRMGQBMLCXBK-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO Cn1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431402 359636332 /nfs/dbraw/zinc/63/63/32/359636332.db2.gz WTRWYUQXPPVKMW-UBHSHLNASA-N 1 1 323.397 1.047 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604199322 359725200 /nfs/dbraw/zinc/72/52/00/359725200.db2.gz PRVKXRFVNBBYSD-LBPRGKRZSA-N 1 1 306.366 1.607 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000608985024 360256192 /nfs/dbraw/zinc/25/61/92/360256192.db2.gz HPJXELQTLJTQAA-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000610409269 360429393 /nfs/dbraw/zinc/42/93/93/360429393.db2.gz FVPNIKMULIAKFE-LLVKDONJSA-N 1 1 313.379 1.215 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000610572867 360473298 /nfs/dbraw/zinc/47/32/98/360473298.db2.gz PCWYNLYEAVHLFY-HIFRSBDPSA-N 1 1 310.350 1.037 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900749 360567770 /nfs/dbraw/zinc/56/77/70/360567770.db2.gz KAQDYUUAGJOTTC-IINYFYTJSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900749 360567772 /nfs/dbraw/zinc/56/77/72/360567772.db2.gz KAQDYUUAGJOTTC-IINYFYTJSA-N 1 1 322.365 1.085 20 5 DDBDMO NC(=O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249647 360679884 /nfs/dbraw/zinc/67/98/84/360679884.db2.gz JXMRJTRKAZALLF-UHFFFAOYSA-N 1 1 321.333 1.063 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000271914669 209321476 /nfs/dbraw/zinc/32/14/76/209321476.db2.gz JHQLVIHFYRWFMI-UHFFFAOYSA-N 1 1 304.350 1.385 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC[NH+]2CCN(C)CC2)n1 ZINC000359092701 299326012 /nfs/dbraw/zinc/32/60/12/299326012.db2.gz GOOGIPSJSIYTSW-UHFFFAOYSA-N 1 1 321.425 1.680 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000194761619 201284688 /nfs/dbraw/zinc/28/46/88/201284688.db2.gz RBOHAOCLEWAHQY-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000194761619 201284691 /nfs/dbraw/zinc/28/46/91/201284691.db2.gz RBOHAOCLEWAHQY-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440433 364009878 /nfs/dbraw/zinc/00/98/78/364009878.db2.gz GRFLTXONQVHRKC-ZWNOBZJWSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440433 364009883 /nfs/dbraw/zinc/00/98/83/364009883.db2.gz GRFLTXONQVHRKC-ZWNOBZJWSA-N 1 1 323.349 1.052 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619574253 364067240 /nfs/dbraw/zinc/06/72/40/364067240.db2.gz LKWHLJZCHSUKJP-MNOVXSKESA-N 1 1 313.354 1.915 20 5 DDBDMO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113740 212128551 /nfs/dbraw/zinc/12/85/51/212128551.db2.gz YQSWSUDAAPESPW-NHYWBVRUSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113740 212128554 /nfs/dbraw/zinc/12/85/54/212128554.db2.gz YQSWSUDAAPESPW-NHYWBVRUSA-N 1 1 319.361 1.857 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](CCOC)C1 ZINC000264603654 204022132 /nfs/dbraw/zinc/02/21/32/204022132.db2.gz NZPABKNCSPSSHY-CQSZACIVSA-N 1 1 323.393 1.804 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000264603654 204022134 /nfs/dbraw/zinc/02/21/34/204022134.db2.gz NZPABKNCSPSSHY-CQSZACIVSA-N 1 1 323.393 1.804 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264668539 204066776 /nfs/dbraw/zinc/06/67/76/204066776.db2.gz LDIQZHJEMARMMN-JTQLQIEISA-N 1 1 311.313 1.181 20 5 DDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282503884 217046188 /nfs/dbraw/zinc/04/61/88/217046188.db2.gz WXVLABGVGAVXFS-GFCCVEGCSA-N 1 1 323.349 1.193 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCO ZINC000267873318 206313479 /nfs/dbraw/zinc/31/34/79/206313479.db2.gz CWKVOYWTHICIAE-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCO ZINC000267873318 206313482 /nfs/dbraw/zinc/31/34/82/206313482.db2.gz CWKVOYWTHICIAE-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000174809033 248380350 /nfs/dbraw/zinc/38/03/50/248380350.db2.gz VAXRONDQAQTUAC-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000174809033 248380355 /nfs/dbraw/zinc/38/03/55/248380355.db2.gz VAXRONDQAQTUAC-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000336862216 249270212 /nfs/dbraw/zinc/27/02/12/249270212.db2.gz HPFDGBWIUVHNRN-VIFPVBQESA-N 1 1 308.313 1.283 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000340859531 251247716 /nfs/dbraw/zinc/24/77/16/251247716.db2.gz AWDODEZJQVPUMY-NSHDSACASA-N 1 1 311.386 1.013 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061605311 184177368 /nfs/dbraw/zinc/17/73/68/184177368.db2.gz BGYQKHPEGSXESA-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340907089 251268487 /nfs/dbraw/zinc/26/84/87/251268487.db2.gz LEQGREUCZROMJL-WCQYABFASA-N 1 1 307.350 1.687 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000341024826 251344288 /nfs/dbraw/zinc/34/42/88/251344288.db2.gz HZPCLTBPOYNTOT-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286477881 219010533 /nfs/dbraw/zinc/01/05/33/219010533.db2.gz LDZFEUSGPDYADK-LERXQTSPSA-N 1 1 307.350 1.767 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352659519 285204179 /nfs/dbraw/zinc/20/41/79/285204179.db2.gz NQFRHLXOIABREJ-OCCSQVGLSA-N 1 1 310.350 1.827 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121707312 195331713 /nfs/dbraw/zinc/33/17/13/195331713.db2.gz SEIIWSBJBKELDI-UHFFFAOYSA-N 1 1 315.320 1.766 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734767 285380889 /nfs/dbraw/zinc/38/08/89/285380889.db2.gz SZHZXKIUGRLADI-KGLIPLIRSA-N 1 1 320.393 1.906 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000305764467 533643927 /nfs/dbraw/zinc/64/39/27/533643927.db2.gz PSOCEUPQLBYMFR-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000305764467 533643934 /nfs/dbraw/zinc/64/39/34/533643934.db2.gz PSOCEUPQLBYMFR-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c1C ZINC000054371026 291994512 /nfs/dbraw/zinc/99/45/12/291994512.db2.gz JDOUVIPPSLRPDB-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000068203041 406623157 /nfs/dbraw/zinc/62/31/57/406623157.db2.gz UJBDVVJBXVMRNI-RYUDHWBXSA-N 1 1 323.397 1.336 20 5 DDBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)C1CC1 ZINC000069129050 406684618 /nfs/dbraw/zinc/68/46/18/406684618.db2.gz PHHAENCHRHGANF-MRVPVSSYSA-N 1 1 319.408 1.417 20 5 DDBDMO Cc1c(NC(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000071901113 406865073 /nfs/dbraw/zinc/86/50/73/406865073.db2.gz TUTBQDXODXAJDT-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO C[C@H](O)CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075781451 406941248 /nfs/dbraw/zinc/94/12/48/406941248.db2.gz LBDYZNUIQOUJTD-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075781451 406941250 /nfs/dbraw/zinc/94/12/50/406941250.db2.gz LBDYZNUIQOUJTD-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075953159 406947715 /nfs/dbraw/zinc/94/77/15/406947715.db2.gz QNUFABHOTHLJPT-AWEZNQCLSA-N 1 1 324.377 1.959 20 5 DDBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC000088605410 407121883 /nfs/dbraw/zinc/12/18/83/407121883.db2.gz NGJALMVQAGVMFM-UHFFFAOYSA-N 1 1 319.361 1.202 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055407109 407203031 /nfs/dbraw/zinc/20/30/31/407203031.db2.gz ZRXVHYRLFMPWOJ-VXGBXAGGSA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000122378018 407299141 /nfs/dbraw/zinc/29/91/41/407299141.db2.gz WWXGELHZWSJGGK-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076096 407346515 /nfs/dbraw/zinc/34/65/15/407346515.db2.gz DYBGGNXVQRNWFN-WDEREUQCSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076096 407346516 /nfs/dbraw/zinc/34/65/16/407346516.db2.gz DYBGGNXVQRNWFN-WDEREUQCSA-N 1 1 320.349 1.119 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124319656 407354823 /nfs/dbraw/zinc/35/48/23/407354823.db2.gz VTHTYBKRYNZQCH-DGCLKSJQSA-N 1 1 323.397 1.431 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107632174 407377658 /nfs/dbraw/zinc/37/76/58/407377658.db2.gz NBTYALDRBNCRQO-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108340210 407384862 /nfs/dbraw/zinc/38/48/62/407384862.db2.gz FHKXVIWLIHAZIB-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO COCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265905104 407505594 /nfs/dbraw/zinc/50/55/94/407505594.db2.gz WCBBHTNHZOHOHV-UHFFFAOYSA-N 1 1 307.350 1.389 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](O)C1 ZINC000114204110 407550023 /nfs/dbraw/zinc/55/00/23/407550023.db2.gz DXLGYMVEXQHDKS-BXKDBHETSA-N 1 1 304.306 1.772 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](O)C1 ZINC000114204110 407550027 /nfs/dbraw/zinc/55/00/27/407550027.db2.gz DXLGYMVEXQHDKS-BXKDBHETSA-N 1 1 304.306 1.772 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccco1 ZINC000180496359 407894114 /nfs/dbraw/zinc/89/41/14/407894114.db2.gz LPLGXFAECPPLJR-NSHDSACASA-N 1 1 319.321 1.198 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268253005 407969848 /nfs/dbraw/zinc/96/98/48/407969848.db2.gz XGELCMDOAKECKZ-NHYWBVRUSA-N 1 1 319.361 1.573 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000135138132 407977542 /nfs/dbraw/zinc/97/75/42/407977542.db2.gz CYFBQBPJACTJEY-HNNXBMFYSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000135138132 407977547 /nfs/dbraw/zinc/97/75/47/407977547.db2.gz CYFBQBPJACTJEY-HNNXBMFYSA-N 1 1 320.324 1.350 20 5 DDBDMO O=C1CNC(=O)N1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135226786 407990932 /nfs/dbraw/zinc/99/09/32/407990932.db2.gz NRJOTECNSSSETC-UHFFFAOYSA-N 1 1 318.333 1.111 20 5 DDBDMO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135226786 407990937 /nfs/dbraw/zinc/99/09/37/407990937.db2.gz NRJOTECNSSSETC-UHFFFAOYSA-N 1 1 318.333 1.111 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000181992865 408062990 /nfs/dbraw/zinc/06/29/90/408062990.db2.gz SEJHFPFMMJRKGZ-CJNGLKHVSA-N 1 1 322.361 1.447 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246221500 408183040 /nfs/dbraw/zinc/18/30/40/408183040.db2.gz DPESEKAWIDKYPG-UKRRQHHQSA-N 1 1 308.334 1.513 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000190429032 408242432 /nfs/dbraw/zinc/24/24/32/408242432.db2.gz HEWIKXRIRHGSRD-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000176251200 408324235 /nfs/dbraw/zinc/32/42/35/408324235.db2.gz NFPOLQKJTDQRQM-UHFFFAOYSA-N 1 1 307.398 1.742 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000269445292 408312623 /nfs/dbraw/zinc/31/26/23/408312623.db2.gz QIKWCFCULXJNDL-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000134141682 162071864 /nfs/dbraw/zinc/07/18/64/162071864.db2.gz ZNCDXYRYLWYEOQ-LLVKDONJSA-N 1 1 321.352 1.877 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629457 408368245 /nfs/dbraw/zinc/36/82/45/408368245.db2.gz FAGUJVBMSMTZCX-CZUORRHYSA-N 1 1 307.394 1.902 20 5 DDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205993 408388994 /nfs/dbraw/zinc/38/89/94/408388994.db2.gz ROBLWIBQQIZFCS-KGYLQXTDSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205993 408388997 /nfs/dbraw/zinc/38/89/97/408388997.db2.gz ROBLWIBQQIZFCS-KGYLQXTDSA-N 1 1 308.338 1.065 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247225082 408433746 /nfs/dbraw/zinc/43/37/46/408433746.db2.gz VXMYHPBLYAPWAB-CMPLNLGQSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247225082 408433749 /nfs/dbraw/zinc/43/37/49/408433749.db2.gz VXMYHPBLYAPWAB-CMPLNLGQSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177033673 408502954 /nfs/dbraw/zinc/50/29/54/408502954.db2.gz SMCLSNVZAAOGAC-RYUDHWBXSA-N 1 1 318.377 1.748 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000183963755 408519652 /nfs/dbraw/zinc/51/96/52/408519652.db2.gz QRWPKBDTKIRICS-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177128949 408526917 /nfs/dbraw/zinc/52/69/17/408526917.db2.gz KQFOATOKPVTRCR-WCQYABFASA-N 1 1 303.362 1.879 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130323 408527151 /nfs/dbraw/zinc/52/71/51/408527151.db2.gz DECHSJVQDGHIHW-ZYHUDNBSSA-N 1 1 319.361 1.958 20 5 DDBDMO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@H](C)O ZINC000247438234 408471329 /nfs/dbraw/zinc/47/13/29/408471329.db2.gz ZLMUXWNHUOOKLZ-DZGCQCFKSA-N 1 1 307.394 1.872 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000248458523 408570378 /nfs/dbraw/zinc/57/03/78/408570378.db2.gz NAHURKVYNLBLOG-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000248458523 408570385 /nfs/dbraw/zinc/57/03/85/408570385.db2.gz NAHURKVYNLBLOG-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000248458519 408570478 /nfs/dbraw/zinc/57/04/78/408570478.db2.gz NAHURKVYNLBLOG-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000248458519 408570483 /nfs/dbraw/zinc/57/04/83/408570483.db2.gz NAHURKVYNLBLOG-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248691457 408616476 /nfs/dbraw/zinc/61/64/76/408616476.db2.gz ZAJZBEXLTFMJHT-BMIGLBTASA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248691457 408616480 /nfs/dbraw/zinc/61/64/80/408616480.db2.gz ZAJZBEXLTFMJHT-BMIGLBTASA-N 1 1 318.333 1.330 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690337 408631445 /nfs/dbraw/zinc/63/14/45/408631445.db2.gz CVCKGRKQBODRJU-MNOVXSKESA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248842123 408646379 /nfs/dbraw/zinc/64/63/79/408646379.db2.gz RBOHAOCLEWAHQY-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248842123 408646385 /nfs/dbraw/zinc/64/63/85/408646385.db2.gz RBOHAOCLEWAHQY-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249573342 408743643 /nfs/dbraw/zinc/74/36/43/408743643.db2.gz OWIIRDVAXMTBFR-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249573342 408743649 /nfs/dbraw/zinc/74/36/49/408743649.db2.gz OWIIRDVAXMTBFR-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000177970259 408747788 /nfs/dbraw/zinc/74/77/88/408747788.db2.gz YGFNBEAQBVAAJQ-CQSZACIVSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000177970259 408747793 /nfs/dbraw/zinc/74/77/93/408747793.db2.gz YGFNBEAQBVAAJQ-CQSZACIVSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249601783 408749208 /nfs/dbraw/zinc/74/92/08/408749208.db2.gz YNTVMQWAUQGVFC-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249601783 408749213 /nfs/dbraw/zinc/74/92/13/408749213.db2.gz YNTVMQWAUQGVFC-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276162943 408823712 /nfs/dbraw/zinc/82/37/12/408823712.db2.gz FXMPRLCWSKZARL-CQSZACIVSA-N 1 1 305.334 1.279 20 5 DDBDMO CCC[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286920922 409000951 /nfs/dbraw/zinc/00/09/51/409000951.db2.gz KTEBEJYNZGHVQQ-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286288205 408956736 /nfs/dbraw/zinc/95/67/36/408956736.db2.gz INMOJJBZXSBDOX-JSGCOSHPSA-N 1 1 321.377 1.903 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000277690968 408993528 /nfs/dbraw/zinc/99/35/28/408993528.db2.gz KJIPTQYKDIIJQM-WDEREUQCSA-N 1 1 307.354 1.237 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293999176 409223350 /nfs/dbraw/zinc/22/33/50/409223350.db2.gz XEPFMWCKHRBWAD-LSDHHAIUSA-N 1 1 319.361 1.530 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391107 409204945 /nfs/dbraw/zinc/20/49/45/409204945.db2.gz UHCKQMIWIBKABR-BBRMVZONSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284414808 409342593 /nfs/dbraw/zinc/34/25/93/409342593.db2.gz BUPBFPSAYNBTBK-VXGBXAGGSA-N 1 1 312.757 1.553 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295273009 409410152 /nfs/dbraw/zinc/41/01/52/409410152.db2.gz GZDQYZMAITWICJ-LLVKDONJSA-N 1 1 318.377 1.733 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285393352 409427598 /nfs/dbraw/zinc/42/75/98/409427598.db2.gz XGDODKWQKXMXBR-KGLIPLIRSA-N 1 1 319.361 1.448 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000290551279 409440999 /nfs/dbraw/zinc/44/09/99/409440999.db2.gz JIKXOYHHIUNNNK-SNVBAGLBSA-N 1 1 311.386 1.731 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000347666293 164099170 /nfs/dbraw/zinc/09/91/70/164099170.db2.gz BKXNVKMFMGWZTN-UHFFFAOYSA-N 1 1 306.326 1.043 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408056061 164211488 /nfs/dbraw/zinc/21/14/88/164211488.db2.gz CIYUCHIIYSYRMJ-UONOGXRCSA-N 1 1 323.324 1.279 20 5 DDBDMO CO[C@H](C)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285554524 409487068 /nfs/dbraw/zinc/48/70/68/409487068.db2.gz GRTBLGXOKCSKQB-LLVKDONJSA-N 1 1 307.350 1.451 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285554524 409487072 /nfs/dbraw/zinc/48/70/72/409487072.db2.gz GRTBLGXOKCSKQB-LLVKDONJSA-N 1 1 307.350 1.451 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000408356039 164305930 /nfs/dbraw/zinc/30/59/30/164305930.db2.gz CILDJYWDWGQISW-CQSZACIVSA-N 1 1 306.366 1.710 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408371887 164310610 /nfs/dbraw/zinc/31/06/10/164310610.db2.gz FXHIXPCNCAHPPI-LBPRGKRZSA-N 1 1 307.354 1.049 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348946815 409603130 /nfs/dbraw/zinc/60/31/30/409603130.db2.gz HLNCJNFAGKKWQM-LSDHHAIUSA-N 1 1 324.381 1.043 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342471210 409659494 /nfs/dbraw/zinc/65/94/94/409659494.db2.gz WUPHNLZKBSKSRV-QMTHXVAHSA-N 1 1 319.361 1.816 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474128 409663114 /nfs/dbraw/zinc/66/31/14/409663114.db2.gz NKYCPKNBIQTKAA-YMTOWFKASA-N 1 1 307.325 1.946 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000357048323 409821663 /nfs/dbraw/zinc/82/16/63/409821663.db2.gz MLLRHOWWCPZENE-UHFFFAOYSA-N 1 1 306.326 1.043 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]CC1(F)F ZINC000342721273 409844959 /nfs/dbraw/zinc/84/49/59/409844959.db2.gz HQPOPUKCGSUXJQ-GFCCVEGCSA-N 1 1 313.304 1.498 20 5 DDBDMO C[C@@H]1[C@H](C)N(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357005053 409783905 /nfs/dbraw/zinc/78/39/05/409783905.db2.gz QQQNWFUNWPLTET-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005053 409783907 /nfs/dbraw/zinc/78/39/07/409783907.db2.gz QQQNWFUNWPLTET-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005053 409783909 /nfs/dbraw/zinc/78/39/09/409783909.db2.gz QQQNWFUNWPLTET-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000357005084 409786356 /nfs/dbraw/zinc/78/63/56/409786356.db2.gz QVOWUVYVELQHLJ-OLZOCXBDSA-N 1 1 320.393 1.582 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319631 409914357 /nfs/dbraw/zinc/91/43/57/409914357.db2.gz CMGLOKKIDHYPHZ-SUHUHFCYSA-N 1 1 322.361 1.815 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319632 409914500 /nfs/dbraw/zinc/91/45/00/409914500.db2.gz CMGLOKKIDHYPHZ-VHRBIJSZSA-N 1 1 322.361 1.815 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354745195 410055941 /nfs/dbraw/zinc/05/59/41/410055941.db2.gz YTOGOFQHRPEAPT-NSHDSACASA-N 1 1 322.365 1.018 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000346865557 410208557 /nfs/dbraw/zinc/20/85/57/410208557.db2.gz CVSPSTBPAXBDKH-UHFFFAOYSA-N 1 1 318.337 1.590 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@](O)(C(F)(F)F)C2)n1 ZINC000357899987 410318389 /nfs/dbraw/zinc/31/83/89/410318389.db2.gz AGSKNLXETVWYNQ-SNVBAGLBSA-N 1 1 308.260 1.181 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)n1 ZINC000357899987 410318392 /nfs/dbraw/zinc/31/83/92/410318392.db2.gz AGSKNLXETVWYNQ-SNVBAGLBSA-N 1 1 308.260 1.181 20 5 DDBDMO CN(c1cccc(C(N)=O)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343352236 410383197 /nfs/dbraw/zinc/38/31/97/410383197.db2.gz GOBRSBBCLUGEKO-FOSCPWQOSA-N 1 1 318.377 1.755 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000343725319 410651196 /nfs/dbraw/zinc/65/11/96/410651196.db2.gz NWWZVPQGYKALIR-ZDUSSCGKSA-N 1 1 312.391 1.773 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343851580 410746120 /nfs/dbraw/zinc/74/61/20/410746120.db2.gz DMPRQEQLFFAHNJ-OCCSQVGLSA-N 1 1 320.393 1.919 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430491 410720161 /nfs/dbraw/zinc/72/01/61/410720161.db2.gz QEUQLFADGMXJQH-AAEUAGOBSA-N 1 1 320.393 1.873 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330618867 410832721 /nfs/dbraw/zinc/83/27/21/410832721.db2.gz YUJMBMKAWQWJLW-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330618867 410832727 /nfs/dbraw/zinc/83/27/27/410832727.db2.gz YUJMBMKAWQWJLW-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000348176450 410838803 /nfs/dbraw/zinc/83/88/03/410838803.db2.gz SDCWTYFLOFKRBR-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000348176450 410838810 /nfs/dbraw/zinc/83/88/10/410838810.db2.gz SDCWTYFLOFKRBR-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330664462 410859851 /nfs/dbraw/zinc/85/98/51/410859851.db2.gz GEMMXANVHNQHQW-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330664462 410859859 /nfs/dbraw/zinc/85/98/59/410859859.db2.gz GEMMXANVHNQHQW-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000359773408 410870166 /nfs/dbraw/zinc/87/01/66/410870166.db2.gz ISMVSVWKQFPJLN-JTQLQIEISA-N 1 1 311.386 1.731 20 5 DDBDMO C[N@@H+](CC1(O)CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353487221 411022943 /nfs/dbraw/zinc/02/29/43/411022943.db2.gz DERCZLFKKIWACE-AWEZNQCLSA-N 1 1 319.361 1.547 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486022 411023594 /nfs/dbraw/zinc/02/35/94/411023594.db2.gz WDZXCXDZNJVFJL-WHXUTIOJSA-N 1 1 323.349 1.386 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486022 411023599 /nfs/dbraw/zinc/02/35/99/411023599.db2.gz WDZXCXDZNJVFJL-WHXUTIOJSA-N 1 1 323.349 1.386 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356448571 411037011 /nfs/dbraw/zinc/03/70/11/411037011.db2.gz RVVFLJZOBNDURV-LLVKDONJSA-N 1 1 323.397 1.569 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331435067 411089179 /nfs/dbraw/zinc/08/91/79/411089179.db2.gz JLZJGEJIBFFVQJ-UHFFFAOYSA-N 1 1 309.370 1.081 20 5 DDBDMO Cc1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353708081 411115485 /nfs/dbraw/zinc/11/54/85/411115485.db2.gz HTQGJFWWHRYJAD-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353708081 411115486 /nfs/dbraw/zinc/11/54/86/411115486.db2.gz HTQGJFWWHRYJAD-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1csc([N+](=O)[O-])c1 ZINC000295306890 224692850 /nfs/dbraw/zinc/69/28/50/224692850.db2.gz BNKRSGXQZUQOBM-NSHDSACASA-N 1 1 313.379 1.233 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375034708 418591739 /nfs/dbraw/zinc/59/17/39/418591739.db2.gz DDUATUHTINATFK-ZFWWWQNUSA-N 1 1 305.378 2.000 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408895 418646445 /nfs/dbraw/zinc/64/64/45/418646445.db2.gz QRPMYAUKBKGVBV-LBPRGKRZSA-N 1 1 318.333 1.990 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408895 418646448 /nfs/dbraw/zinc/64/64/48/418646448.db2.gz QRPMYAUKBKGVBV-LBPRGKRZSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000375590788 418659213 /nfs/dbraw/zinc/65/92/13/418659213.db2.gz JJSTYWYIFIFHHD-NSHDSACASA-N 1 1 311.411 1.268 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367995055 418671061 /nfs/dbraw/zinc/67/10/61/418671061.db2.gz XRBUYXLXWCYHGV-NSHDSACASA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367995055 418671064 /nfs/dbraw/zinc/67/10/64/418671064.db2.gz XRBUYXLXWCYHGV-NSHDSACASA-N 1 1 320.349 1.039 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583380 418686035 /nfs/dbraw/zinc/68/60/35/418686035.db2.gz LMAOJIYEEQJBBP-YGRLFVJLSA-N 1 1 320.349 1.443 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583380 418686039 /nfs/dbraw/zinc/68/60/39/418686039.db2.gz LMAOJIYEEQJBBP-YGRLFVJLSA-N 1 1 320.349 1.443 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990174 418755412 /nfs/dbraw/zinc/75/54/12/418755412.db2.gz BZKUJDSQYWJIFQ-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990174 418755414 /nfs/dbraw/zinc/75/54/14/418755414.db2.gz BZKUJDSQYWJIFQ-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990174 418755415 /nfs/dbraw/zinc/75/54/15/418755415.db2.gz BZKUJDSQYWJIFQ-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO Cc1noc(C2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000365576533 418877814 /nfs/dbraw/zinc/87/78/14/418877814.db2.gz GYKBNUXNRRALMF-ZDUSSCGKSA-N 1 1 304.306 1.419 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572349 418878165 /nfs/dbraw/zinc/87/81/65/418878165.db2.gz LEFMFKBVTJFPDQ-NRWUCQMLSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572349 418878166 /nfs/dbraw/zinc/87/81/66/418878166.db2.gz LEFMFKBVTJFPDQ-NRWUCQMLSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572349 418878167 /nfs/dbraw/zinc/87/81/67/418878167.db2.gz LEFMFKBVTJFPDQ-NRWUCQMLSA-N 1 1 323.418 1.912 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000426265344 419426759 /nfs/dbraw/zinc/42/67/59/419426759.db2.gz UMAHFLHOLTWGIN-LBPRGKRZSA-N 1 1 310.350 1.829 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000420997581 419431371 /nfs/dbraw/zinc/43/13/71/419431371.db2.gz HGYTVQDGUIUGRL-AWEZNQCLSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091197 419649786 /nfs/dbraw/zinc/64/97/86/419649786.db2.gz QOUIBIVHRKSJPV-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091197 419649795 /nfs/dbraw/zinc/64/97/95/419649795.db2.gz QOUIBIVHRKSJPV-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000421857719 419751135 /nfs/dbraw/zinc/75/11/35/419751135.db2.gz CBWVXOGFQMIDPH-HNNXBMFYSA-N 1 1 307.350 1.008 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1C ZINC000430231958 420092714 /nfs/dbraw/zinc/09/27/14/420092714.db2.gz DNRHJSRXBUYVDY-ZWNOBZJWSA-N 1 1 308.334 1.987 20 5 DDBDMO COc1ccc(NC(=O)CCN2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430600609 420153152 /nfs/dbraw/zinc/15/31/52/420153152.db2.gz BLMLGOWDAHVLBW-UHFFFAOYSA-N 1 1 322.365 1.355 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCC[N@H+]3C3CC3)nn21 ZINC000433807536 420255171 /nfs/dbraw/zinc/25/51/71/420255171.db2.gz IHFIIOWOFJLRIC-GFCCVEGCSA-N 1 1 316.365 2.066 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420741559 420374696 /nfs/dbraw/zinc/37/46/96/420374696.db2.gz STYGWEXVPBHEDW-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)nc2c1 ZINC000444689728 230121633 /nfs/dbraw/zinc/12/16/33/230121633.db2.gz OQTYTQARUOFPNU-CHIMOYNISA-N 1 1 302.334 1.674 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)nc2c1 ZINC000444689728 230121635 /nfs/dbraw/zinc/12/16/35/230121635.db2.gz OQTYTQARUOFPNU-CHIMOYNISA-N 1 1 302.334 1.674 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553545 420416922 /nfs/dbraw/zinc/41/69/22/420416922.db2.gz UQQXAYIVEFIZGK-LLVKDONJSA-N 1 1 303.322 1.711 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000417758728 420469683 /nfs/dbraw/zinc/46/96/83/420469683.db2.gz CSDCCKZLIKJIOR-HNNXBMFYSA-N 1 1 324.356 1.480 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000457084330 420606239 /nfs/dbraw/zinc/60/62/39/420606239.db2.gz GPBFFBBJDWYZRO-NSHDSACASA-N 1 1 306.366 1.732 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450957341 420570037 /nfs/dbraw/zinc/57/00/37/420570037.db2.gz UESGXLNEGPUQLI-SNVBAGLBSA-N 1 1 307.354 1.008 20 5 DDBDMO CCc1nn(C)c(NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000440671619 420595966 /nfs/dbraw/zinc/59/59/66/420595966.db2.gz HIMTVKJSQTZGEY-UHFFFAOYSA-N 1 1 324.429 1.329 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448058396 420834990 /nfs/dbraw/zinc/83/49/90/420834990.db2.gz NECSRGCREKQWFY-AAEUAGOBSA-N 1 1 305.382 1.781 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493524276 420872463 /nfs/dbraw/zinc/87/24/63/420872463.db2.gz OYGBROONABWOPQ-FWQWQBSGSA-N 1 1 319.336 1.910 20 5 DDBDMO C[N@@H+](CCCCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000455035150 420960304 /nfs/dbraw/zinc/96/03/04/420960304.db2.gz OMFSMDZDWFBUGR-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000470182974 420932834 /nfs/dbraw/zinc/93/28/34/420932834.db2.gz LHFYVTZGTRSOBY-CDQZISKASA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000470182974 420932836 /nfs/dbraw/zinc/93/28/36/420932836.db2.gz LHFYVTZGTRSOBY-CDQZISKASA-N 1 1 319.361 1.573 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494260 421031821 /nfs/dbraw/zinc/03/18/21/421031821.db2.gz DDJFZZMCEULKSW-MWLCHTKSSA-N 1 1 317.349 1.285 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456017551 421089344 /nfs/dbraw/zinc/08/93/44/421089344.db2.gz ZBKHHBNCDGUFIE-UWVGGRQHSA-N 1 1 307.354 1.244 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725759 421108800 /nfs/dbraw/zinc/10/88/00/421108800.db2.gz BDKBKHIBIKDFHE-RYUDHWBXSA-N 1 1 307.350 1.260 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@](O)(C4CC4)C3)nc2c1 ZINC000489268598 421142380 /nfs/dbraw/zinc/14/23/80/421142380.db2.gz NELPWOSYIDGMKB-OAHLLOKOSA-N 1 1 302.334 1.818 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@](O)(C4CC4)C3)nc2c1 ZINC000489268598 421142383 /nfs/dbraw/zinc/14/23/83/421142383.db2.gz NELPWOSYIDGMKB-OAHLLOKOSA-N 1 1 302.334 1.818 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450204634 421162859 /nfs/dbraw/zinc/16/28/59/421162859.db2.gz VPNNBSFIYSLHEB-UHFFFAOYSA-N 1 1 315.333 1.216 20 5 DDBDMO Cc1nc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000450245929 421170964 /nfs/dbraw/zinc/17/09/64/421170964.db2.gz SHNXOOCWDVMLMV-CYBMUJFWSA-N 1 1 323.397 1.852 20 5 DDBDMO Cc1nc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000450366433 421189617 /nfs/dbraw/zinc/18/96/17/421189617.db2.gz SZLFFMGXVFENRU-CYBMUJFWSA-N 1 1 305.382 1.861 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000518122652 421641115 /nfs/dbraw/zinc/64/11/15/421641115.db2.gz NIGCJXWKHJZQDH-UHFFFAOYSA-N 1 1 321.381 1.276 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517214013 421599403 /nfs/dbraw/zinc/59/94/03/421599403.db2.gz HKYSAFNLDVCULA-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422984 421786900 /nfs/dbraw/zinc/78/69/00/421786900.db2.gz NYKVOLPWCDIQIX-CZUORRHYSA-N 1 1 318.421 1.808 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000580934113 421866739 /nfs/dbraw/zinc/86/67/39/421866739.db2.gz UOFSFYWWLYVEHX-NSHDSACASA-N 1 1 304.350 1.546 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596305781 422373670 /nfs/dbraw/zinc/37/36/70/422373670.db2.gz AIOGMCZJIJTZIU-SNVBAGLBSA-N 1 1 304.354 1.922 20 5 DDBDMO CC[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983366 422440600 /nfs/dbraw/zinc/44/06/00/422440600.db2.gz IWZIWTXEPXHMNH-CJNGLKHVSA-N 1 1 324.377 1.571 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000578414153 422563642 /nfs/dbraw/zinc/56/36/42/422563642.db2.gz WDIHLJMVBLHWRS-RISCZKNCSA-N 1 1 305.334 1.136 20 5 DDBDMO NC(=O)c1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341739954 271195274 /nfs/dbraw/zinc/19/52/74/271195274.db2.gz BWQPDMXJZYATOW-LLVKDONJSA-N 1 1 304.350 1.368 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000341978022 271265457 /nfs/dbraw/zinc/26/54/57/271265457.db2.gz XFMBTZBXLBURAG-GDBMZVCRSA-N 1 1 322.361 1.589 20 5 DDBDMO C[N@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000342014080 271275109 /nfs/dbraw/zinc/27/51/09/271275109.db2.gz YJDQXTLWROFJES-UHFFFAOYSA-N 1 1 303.322 1.787 20 5 DDBDMO COc1ccc(NC(=O)CCNCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342142410 271316238 /nfs/dbraw/zinc/31/62/38/271316238.db2.gz PZYMAGLXPSSDNF-UHFFFAOYSA-N 1 1 322.365 1.403 20 5 DDBDMO COc1ccc(NC(=O)CC[NH2+]CC2(N)CCC2)c([N+](=O)[O-])c1 ZINC000342142410 271316242 /nfs/dbraw/zinc/31/62/42/271316242.db2.gz PZYMAGLXPSSDNF-UHFFFAOYSA-N 1 1 322.365 1.403 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344429306 272024068 /nfs/dbraw/zinc/02/40/68/272024068.db2.gz RFYJKANGFITYHW-BETUJISGSA-N 1 1 321.377 1.915 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000344645091 272077797 /nfs/dbraw/zinc/07/77/97/272077797.db2.gz CNYCURFUMVGPOU-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408071341 274333691 /nfs/dbraw/zinc/33/36/91/274333691.db2.gz JVBCXBDCTJSHJD-LLVKDONJSA-N 1 1 307.350 1.597 20 5 DDBDMO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000450456061 274370561 /nfs/dbraw/zinc/37/05/61/274370561.db2.gz WPMOPDQFDQLNJQ-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000153187072 277131617 /nfs/dbraw/zinc/13/16/17/277131617.db2.gz RCMXGAJOFAHAOL-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000286002010 277179921 /nfs/dbraw/zinc/17/99/21/277179921.db2.gz ZAJJBUZCMFAFCU-ZIAGYGMSSA-N 1 1 305.334 1.140 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000127272412 281269902 /nfs/dbraw/zinc/26/99/02/281269902.db2.gz MEPPICMXHSDOKR-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000127272412 281269905 /nfs/dbraw/zinc/26/99/05/281269905.db2.gz MEPPICMXHSDOKR-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO CCCC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364320677 300375521 /nfs/dbraw/zinc/37/55/21/300375521.db2.gz OWOUJJRUFQYFCZ-UHFFFAOYSA-N 1 1 309.370 1.126 20 5 DDBDMO CCCC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364320677 300375524 /nfs/dbraw/zinc/37/55/24/300375524.db2.gz OWOUJJRUFQYFCZ-UHFFFAOYSA-N 1 1 309.370 1.126 20 5 DDBDMO C[C@@H]1CC(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000369453853 301187770 /nfs/dbraw/zinc/18/77/70/301187770.db2.gz XAZBEJPPYDVISC-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469402 301345704 /nfs/dbraw/zinc/34/57/04/301345704.db2.gz CUEOTLHVBXFTEC-UNQGMJICSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469402 301345708 /nfs/dbraw/zinc/34/57/08/301345708.db2.gz CUEOTLHVBXFTEC-UNQGMJICSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469402 301345712 /nfs/dbraw/zinc/34/57/12/301345712.db2.gz CUEOTLHVBXFTEC-UNQGMJICSA-N 1 1 303.362 1.431 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058241 302138761 /nfs/dbraw/zinc/13/87/61/302138761.db2.gz VKAYDHXURRATFT-GHMZBOCLSA-N 1 1 306.322 1.052 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378546581 302333768 /nfs/dbraw/zinc/33/37/68/302333768.db2.gz WQCBQZTZKHDLHZ-QWRGUYRKSA-N 1 1 304.350 1.534 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363398877 307027267 /nfs/dbraw/zinc/02/72/67/307027267.db2.gz QBJWAAMWMCFAND-KKUMJFAQSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363398877 307027268 /nfs/dbraw/zinc/02/72/68/307027268.db2.gz QBJWAAMWMCFAND-KKUMJFAQSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363398877 307027269 /nfs/dbraw/zinc/02/72/69/307027269.db2.gz QBJWAAMWMCFAND-KKUMJFAQSA-N 1 1 318.377 1.075 20 5 DDBDMO COC(=O)CN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363562058 307031298 /nfs/dbraw/zinc/03/12/98/307031298.db2.gz HZBNPSDZASPPEE-UHFFFAOYSA-N 1 1 321.377 1.584 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)n1 ZINC000373142415 307180438 /nfs/dbraw/zinc/18/04/38/307180438.db2.gz TWHLPVPDYYFKIS-KGLIPLIRSA-N 1 1 308.382 1.930 20 5 DDBDMO O=C1N[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000374073904 307202469 /nfs/dbraw/zinc/20/24/69/307202469.db2.gz FYYFZFWGCHCDLD-RISCZKNCSA-N 1 1 321.333 1.404 20 5 DDBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695379 307211850 /nfs/dbraw/zinc/21/18/50/307211850.db2.gz FNIMJXROSTXSGG-SMDDNHRTSA-N 1 1 308.338 1.066 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)o2)cc1 ZINC000376897809 307258256 /nfs/dbraw/zinc/25/82/56/307258256.db2.gz STXIZYIYLVVILL-ZIAGYGMSSA-N 1 1 318.329 1.782 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000377683738 307275821 /nfs/dbraw/zinc/27/58/21/307275821.db2.gz UZVIEAWEUMLMOZ-NEPJUHHUSA-N 1 1 305.334 1.042 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000554571674 307835550 /nfs/dbraw/zinc/83/55/50/307835550.db2.gz HIOYDBDRTZNCMJ-UHFFFAOYSA-N 1 1 318.289 1.258 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc([N+](=O)[O-])c1 ZINC000452387951 534058763 /nfs/dbraw/zinc/05/87/63/534058763.db2.gz INKLOVAZSYYTNM-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000305816460 534340208 /nfs/dbraw/zinc/34/02/08/534340208.db2.gz AFEQTHIZEVAROK-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000305816460 534340213 /nfs/dbraw/zinc/34/02/13/534340213.db2.gz AFEQTHIZEVAROK-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491412905 534773321 /nfs/dbraw/zinc/77/33/21/534773321.db2.gz AYMMXEUKAWMSJO-WAYWQWQTSA-N 1 1 300.318 1.929 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491561349 534776170 /nfs/dbraw/zinc/77/61/70/534776170.db2.gz JRXKHSIFJNDSNL-UTPRNQHHSA-N 1 1 301.346 1.961 20 5 DDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000154777342 525681864 /nfs/dbraw/zinc/68/18/64/525681864.db2.gz SFYBMKYSJITJPQ-KWQFWETISA-N 1 1 300.746 1.774 20 5 DDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000154777342 525681871 /nfs/dbraw/zinc/68/18/71/525681871.db2.gz SFYBMKYSJITJPQ-KWQFWETISA-N 1 1 300.746 1.774 20 5 DDBDMO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330999370 527523790 /nfs/dbraw/zinc/52/37/90/527523790.db2.gz NJOPKJWRSPZUAD-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330999370 527523793 /nfs/dbraw/zinc/52/37/93/527523793.db2.gz NJOPKJWRSPZUAD-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451932800 527789669 /nfs/dbraw/zinc/78/96/69/527789669.db2.gz DPSQZDNGHCJCKN-ZLKJLUDKSA-N 1 1 323.349 1.315 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000736856695 599119784 /nfs/dbraw/zinc/11/97/84/599119784.db2.gz LZJVAEODYQMBCM-LLVKDONJSA-N 1 1 317.353 1.305 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000981137068 697015257 /nfs/dbraw/zinc/01/52/57/697015257.db2.gz LRHMTXFFPFGJNE-HUUCEWRRSA-N 1 1 307.394 1.686 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000981137068 697015259 /nfs/dbraw/zinc/01/52/59/697015259.db2.gz LRHMTXFFPFGJNE-HUUCEWRRSA-N 1 1 307.394 1.686 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000981137068 697015261 /nfs/dbraw/zinc/01/52/61/697015261.db2.gz LRHMTXFFPFGJNE-HUUCEWRRSA-N 1 1 307.394 1.686 20 5 DDBDMO Cc1ncsc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983655248 697286787 /nfs/dbraw/zinc/28/67/87/697286787.db2.gz RLJVXIXSARXRRD-DDHJBXDOSA-N 1 1 324.406 1.101 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833263 697372058 /nfs/dbraw/zinc/37/20/58/697372058.db2.gz CHXAMQBXYBFHJC-VIFPVBQESA-N 1 1 311.294 1.744 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833263 697372061 /nfs/dbraw/zinc/37/20/61/697372061.db2.gz CHXAMQBXYBFHJC-VIFPVBQESA-N 1 1 311.294 1.744 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000776587137 698122597 /nfs/dbraw/zinc/12/25/97/698122597.db2.gz ULYPECVAELXWFB-RRFJBIMHSA-N 1 1 324.402 1.835 20 5 DDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1CCO ZINC000780630479 698540313 /nfs/dbraw/zinc/54/03/13/698540313.db2.gz RVAMFAYCHKTWNJ-UHFFFAOYSA-N 1 1 321.337 1.024 20 5 DDBDMO COc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000782815274 698771363 /nfs/dbraw/zinc/77/13/63/698771363.db2.gz OZNDKLCYTCTQKO-UHFFFAOYSA-N 1 1 309.322 1.264 20 5 DDBDMO C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681860 699484786 /nfs/dbraw/zinc/48/47/86/699484786.db2.gz LIZCFPPYOMBUBT-JTQLQIEISA-N 1 1 301.293 1.990 20 5 DDBDMO C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681860 699484787 /nfs/dbraw/zinc/48/47/87/699484787.db2.gz LIZCFPPYOMBUBT-JTQLQIEISA-N 1 1 301.293 1.990 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791052469 699609021 /nfs/dbraw/zinc/60/90/21/699609021.db2.gz OGFTZUOPVWSSPZ-OAHLLOKOSA-N 1 1 307.394 1.486 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791052469 699609022 /nfs/dbraw/zinc/60/90/22/699609022.db2.gz OGFTZUOPVWSSPZ-OAHLLOKOSA-N 1 1 307.394 1.486 20 5 DDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791366554 699627359 /nfs/dbraw/zinc/62/73/59/699627359.db2.gz JRRFNLBNOZIKKY-AWEZNQCLSA-N 1 1 324.356 1.728 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791366554 699627360 /nfs/dbraw/zinc/62/73/60/699627360.db2.gz JRRFNLBNOZIKKY-AWEZNQCLSA-N 1 1 324.356 1.728 20 5 DDBDMO Cc1cccc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000735894266 699709043 /nfs/dbraw/zinc/70/90/43/699709043.db2.gz PCGQYULLEPDDSZ-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO CNC(=O)c1ccc(NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742426783 699878476 /nfs/dbraw/zinc/87/84/76/699878476.db2.gz BTQHBMNPBDZRIT-LLVKDONJSA-N 1 1 306.366 1.851 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C[N@@H+]1C ZINC000801936490 700357918 /nfs/dbraw/zinc/35/79/18/700357918.db2.gz UQLUYMBZWILDMA-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C[N@H+]1C ZINC000801936490 700357921 /nfs/dbraw/zinc/35/79/21/700357921.db2.gz UQLUYMBZWILDMA-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000754227931 700490665 /nfs/dbraw/zinc/49/06/65/700490665.db2.gz CVSDWMFFPDOABD-JTQLQIEISA-N 1 1 322.321 1.669 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000754227931 700490668 /nfs/dbraw/zinc/49/06/68/700490668.db2.gz CVSDWMFFPDOABD-JTQLQIEISA-N 1 1 322.321 1.669 20 5 DDBDMO CN(C)C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526085 700862827 /nfs/dbraw/zinc/86/28/27/700862827.db2.gz GXNZTFYFIHRWTJ-UHFFFAOYSA-N 1 1 314.773 1.951 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526085 700862828 /nfs/dbraw/zinc/86/28/28/700862828.db2.gz GXNZTFYFIHRWTJ-UHFFFAOYSA-N 1 1 314.773 1.951 20 5 DDBDMO CC1(C)CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000808181654 701505862 /nfs/dbraw/zinc/50/58/62/701505862.db2.gz KSCXAMVTMFBSCF-UHFFFAOYSA-N 1 1 321.381 1.644 20 5 DDBDMO O=C(CC[N@H+]1CCOC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000839531489 701726861 /nfs/dbraw/zinc/72/68/61/701726861.db2.gz DOSOYNSKEZDEON-GFCCVEGCSA-N 1 1 323.349 1.007 20 5 DDBDMO O=C(CC[N@@H+]1CCOC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000839531489 701726864 /nfs/dbraw/zinc/72/68/64/701726864.db2.gz DOSOYNSKEZDEON-GFCCVEGCSA-N 1 1 323.349 1.007 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660903 701769767 /nfs/dbraw/zinc/76/97/67/701769767.db2.gz ZLENMCAUWWDJEH-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660903 701769770 /nfs/dbraw/zinc/76/97/70/701769770.db2.gz ZLENMCAUWWDJEH-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660903 701769774 /nfs/dbraw/zinc/76/97/74/701769774.db2.gz ZLENMCAUWWDJEH-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660903 701769779 /nfs/dbraw/zinc/76/97/79/701769779.db2.gz ZLENMCAUWWDJEH-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660903 701769780 /nfs/dbraw/zinc/76/97/80/701769780.db2.gz ZLENMCAUWWDJEH-GXTWGEPZSA-N 1 1 317.349 1.544 20 5 DDBDMO CCN(CC(F)F)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867979664 701869897 /nfs/dbraw/zinc/86/98/97/701869897.db2.gz MAXKUASQZVOZHG-ZDUSSCGKSA-N 1 1 301.293 1.882 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C)C(C)(C)CC1 ZINC000866115332 706623193 /nfs/dbraw/zinc/62/31/93/706623193.db2.gz ZGRIRLPXCSIVSA-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000868160299 701970292 /nfs/dbraw/zinc/97/02/92/701970292.db2.gz DUDFEYCUOQJVJH-HIFRSBDPSA-N 1 1 318.377 1.830 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118278 701977334 /nfs/dbraw/zinc/97/73/34/701977334.db2.gz DBDZOADAHRXHMU-BFHYXJOUSA-N 1 1 308.382 1.991 20 5 DDBDMO C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840176560 702013954 /nfs/dbraw/zinc/01/39/54/702013954.db2.gz CZCMZESLFIWOPR-AWEZNQCLSA-N 1 1 315.377 1.955 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000811599967 702014999 /nfs/dbraw/zinc/01/49/99/702014999.db2.gz DBJYPZZBHZZQDY-JTQLQIEISA-N 1 1 324.337 1.962 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000840223349 702034814 /nfs/dbraw/zinc/03/48/14/702034814.db2.gz ZEKFTBHFOFDEEB-GFCCVEGCSA-N 1 1 324.381 1.944 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000816666762 702138456 /nfs/dbraw/zinc/13/84/56/702138456.db2.gz VJGBYJHTMGWJAC-LBPRGKRZSA-N 1 1 322.361 1.976 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205426 706648529 /nfs/dbraw/zinc/64/85/29/706648529.db2.gz LULDMJKBSFQFIX-QWHCGFSZSA-N 1 1 318.377 1.485 20 5 DDBDMO Cc1nn(CN(C)C[C@@H]2CCC[N@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000817371665 702358943 /nfs/dbraw/zinc/35/89/43/702358943.db2.gz BQERKUSTZGFWMK-LBPRGKRZSA-N 1 1 318.381 1.631 20 5 DDBDMO Cc1nc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000866336478 706676348 /nfs/dbraw/zinc/67/63/48/706676348.db2.gz JXKKZLTYCYYCPA-SECBINFHSA-N 1 1 307.329 1.924 20 5 DDBDMO Cc1nnc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866336478 706676349 /nfs/dbraw/zinc/67/63/49/706676349.db2.gz JXKKZLTYCYYCPA-SECBINFHSA-N 1 1 307.329 1.924 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC(F)(F)CC1=O ZINC000841684619 702536598 /nfs/dbraw/zinc/53/65/98/702536598.db2.gz QQYNVRFXPYKIAD-UHFFFAOYSA-N 1 1 313.304 1.894 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC(F)(F)CC1=O ZINC000841684619 702536602 /nfs/dbraw/zinc/53/66/02/702536602.db2.gz QQYNVRFXPYKIAD-UHFFFAOYSA-N 1 1 313.304 1.894 20 5 DDBDMO COCCCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000841692541 702541207 /nfs/dbraw/zinc/54/12/07/702541207.db2.gz SAUMJDFMOPRHKM-UHFFFAOYSA-N 1 1 307.354 1.964 20 5 DDBDMO [NH3+]CCCCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000843510138 702897250 /nfs/dbraw/zinc/89/72/50/702897250.db2.gz YEJXRHJDWIXVLW-UHFFFAOYSA-N 1 1 305.338 1.720 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843786249 702923660 /nfs/dbraw/zinc/92/36/60/702923660.db2.gz SQFVFYYCBNTAKX-UHFFFAOYSA-N 1 1 313.329 1.350 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@@H+](C)C1 ZINC000843990990 702949864 /nfs/dbraw/zinc/94/98/64/702949864.db2.gz ZWOWRWHRKYCSDY-JTQLQIEISA-N 1 1 324.356 1.872 20 5 DDBDMO COCCOCC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000845771618 703198434 /nfs/dbraw/zinc/19/84/34/703198434.db2.gz XLSULTITQPXXSS-UHFFFAOYSA-N 1 1 324.381 1.083 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846292538 703262772 /nfs/dbraw/zinc/26/27/72/703262772.db2.gz WIZCHAUDIGIBAS-OAHLLOKOSA-N 1 1 323.393 1.722 20 5 DDBDMO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709024 703322272 /nfs/dbraw/zinc/32/22/72/703322272.db2.gz XWOTVLNTZIQZBE-MNOVXSKESA-N 1 1 324.356 1.874 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852301429 704003571 /nfs/dbraw/zinc/00/35/71/704003571.db2.gz LKZYHBVMESFNNA-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852301429 704003576 /nfs/dbraw/zinc/00/35/76/704003576.db2.gz LKZYHBVMESFNNA-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981753 704041585 /nfs/dbraw/zinc/04/15/85/704041585.db2.gz YFTGFRGSOQYMPU-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981753 704041587 /nfs/dbraw/zinc/04/15/87/704041587.db2.gz YFTGFRGSOQYMPU-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000852664830 704096172 /nfs/dbraw/zinc/09/61/72/704096172.db2.gz DNQGDSFIORBDOF-NEPJUHHUSA-N 1 1 307.306 1.971 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000853708628 704303075 /nfs/dbraw/zinc/30/30/75/704303075.db2.gz RNUHVYWMDRPBQZ-PHIMTYICSA-N 1 1 310.354 1.241 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859586997 704944329 /nfs/dbraw/zinc/94/43/29/704944329.db2.gz VYJNJWWJOWWCEC-MRXNPFEDSA-N 1 1 316.361 1.775 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874827075 705185389 /nfs/dbraw/zinc/18/53/89/705185389.db2.gz AXDOFSOVTYSJAD-KBPBESRZSA-N 1 1 319.361 1.912 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970658 705347627 /nfs/dbraw/zinc/34/76/27/705347627.db2.gz GTSFGJNGYMAYJE-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824765243 705525720 /nfs/dbraw/zinc/52/57/20/705525720.db2.gz VDFCIOMRRAQTMU-LLVKDONJSA-N 1 1 309.370 1.089 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861718170 705549978 /nfs/dbraw/zinc/54/99/78/705549978.db2.gz WMWSWAOTWQTABW-VXGBXAGGSA-N 1 1 323.324 1.015 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825338833 705650180 /nfs/dbraw/zinc/65/01/80/705650180.db2.gz VEKDLSISGNKVHT-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000863032900 705852605 /nfs/dbraw/zinc/85/26/05/705852605.db2.gz QVVATGIPHMILRV-LLVKDONJSA-N 1 1 319.365 1.319 20 5 DDBDMO CC(C)N1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876906778 705918041 /nfs/dbraw/zinc/91/80/41/705918041.db2.gz HVEMPUUVIKCSGH-UHFFFAOYSA-N 1 1 307.398 1.957 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827266001 705963580 /nfs/dbraw/zinc/96/35/80/705963580.db2.gz JKJMPYWRRUFQBX-YPMHNXCESA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827977543 706098336 /nfs/dbraw/zinc/09/83/36/706098336.db2.gz MVCIXDSJPSUCKU-OKILXGFUSA-N 1 1 321.352 1.972 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719024 706187999 /nfs/dbraw/zinc/18/79/99/706187999.db2.gz DCBGCJCZTBBMIM-BETUJISGSA-N 1 1 317.345 1.258 20 5 DDBDMO Cn1cc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000878097083 706291494 /nfs/dbraw/zinc/29/14/94/706291494.db2.gz SJMWRDIRMUTJML-CYBMUJFWSA-N 1 1 321.381 1.305 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000878097083 706291495 /nfs/dbraw/zinc/29/14/95/706291495.db2.gz SJMWRDIRMUTJML-CYBMUJFWSA-N 1 1 321.381 1.305 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000880094786 706877404 /nfs/dbraw/zinc/87/74/04/706877404.db2.gz KUGFSCXXOAFTID-RWMBFGLXSA-N 1 1 321.377 1.881 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880526042 707003698 /nfs/dbraw/zinc/00/36/98/707003698.db2.gz BIXFRWVOPSLYHB-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880526042 707003700 /nfs/dbraw/zinc/00/37/00/707003700.db2.gz BIXFRWVOPSLYHB-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880528626 707005372 /nfs/dbraw/zinc/00/53/72/707005372.db2.gz FJCYPLQFDLTCTP-GLQYFDAESA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880528626 707005377 /nfs/dbraw/zinc/00/53/77/707005377.db2.gz FJCYPLQFDLTCTP-GLQYFDAESA-N 1 1 319.361 1.229 20 5 DDBDMO CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000873296979 707802301 /nfs/dbraw/zinc/80/23/01/707802301.db2.gz ORDBLJNXCCSDEL-QKCSRTOESA-N 1 1 307.350 1.539 20 5 DDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)CCOCCO ZINC000882952081 707868369 /nfs/dbraw/zinc/86/83/69/707868369.db2.gz HXXDLWBEJKEYIZ-UHFFFAOYSA-N 1 1 317.773 1.601 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897218134 708256413 /nfs/dbraw/zinc/25/64/13/708256413.db2.gz BCLCBHKBTOAKAM-ZIAGYGMSSA-N 1 1 321.377 1.639 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219641 708257173 /nfs/dbraw/zinc/25/71/73/708257173.db2.gz MFOKNTLWPWLAEH-WDEREUQCSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000886084226 708695333 /nfs/dbraw/zinc/69/53/33/708695333.db2.gz SUJAPWXUKUQAEO-UHFFFAOYSA-N 1 1 302.338 1.494 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000887086613 708951549 /nfs/dbraw/zinc/95/15/49/708951549.db2.gz WYBFUUGDWNODRR-UHFFFAOYSA-N 1 1 311.313 1.119 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928093325 713127463 /nfs/dbraw/zinc/12/74/63/713127463.db2.gz BWEZXWBDDKIEJL-ZYHUDNBSSA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928093325 713127464 /nfs/dbraw/zinc/12/74/64/713127464.db2.gz BWEZXWBDDKIEJL-ZYHUDNBSSA-N 1 1 324.406 1.243 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105960 713132784 /nfs/dbraw/zinc/13/27/84/713132784.db2.gz XKHQFWOFKJFFJN-DGCLKSJQSA-N 1 1 322.390 1.299 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105960 713132785 /nfs/dbraw/zinc/13/27/85/713132785.db2.gz XKHQFWOFKJFFJN-DGCLKSJQSA-N 1 1 322.390 1.299 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910286604 709866948 /nfs/dbraw/zinc/86/69/48/709866948.db2.gz HICPOSWXEFAJJG-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928438954 713196445 /nfs/dbraw/zinc/19/64/45/713196445.db2.gz VFZNLKJHLJPXBT-QWRGUYRKSA-N 1 1 307.350 1.816 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418028 710644741 /nfs/dbraw/zinc/64/47/41/710644741.db2.gz NZBVVBPIHICVAZ-WDEREUQCSA-N 1 1 310.350 1.902 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000893872090 710867533 /nfs/dbraw/zinc/86/75/33/710867533.db2.gz OTEFATSXMQYBFE-GFCCVEGCSA-N 1 1 306.366 1.485 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000894650558 711229153 /nfs/dbraw/zinc/22/91/53/711229153.db2.gz XTBYKBLQKMQASZ-LLVKDONJSA-N 1 1 310.350 1.903 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000895486820 711524944 /nfs/dbraw/zinc/52/49/44/711524944.db2.gz JMTWTBFIUKGBMF-CQSZACIVSA-N 1 1 320.393 1.996 20 5 DDBDMO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C ZINC000895737876 711591220 /nfs/dbraw/zinc/59/12/20/711591220.db2.gz GDCHUZWKTVPIMR-GXSJLCMTSA-N 1 1 304.350 1.984 20 5 DDBDMO O=C(C[NH2+]CC[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000905147747 711951007 /nfs/dbraw/zinc/95/10/07/711951007.db2.gz RNGARDDMHBFESF-UHFFFAOYSA-N 1 1 305.378 1.334 20 5 DDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000905217725 711971933 /nfs/dbraw/zinc/97/19/33/711971933.db2.gz FJPGKDGWJOPXNF-JTQLQIEISA-N 1 1 317.267 1.677 20 5 DDBDMO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1=O ZINC000905274223 711988835 /nfs/dbraw/zinc/98/88/35/711988835.db2.gz NXQNLRKYQFBAJN-FZMZJTMJSA-N 1 1 309.341 1.744 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000915213006 713412902 /nfs/dbraw/zinc/41/29/02/713412902.db2.gz PHQZVVCITWOBNP-UHFFFAOYSA-N 1 1 309.326 1.511 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2c[nH]nc21 ZINC000931460726 714103148 /nfs/dbraw/zinc/10/31/48/714103148.db2.gz LAVKAMLBSSJMMU-SNVBAGLBSA-N 1 1 303.322 1.099 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2c[nH]nc21 ZINC000931460726 714103151 /nfs/dbraw/zinc/10/31/51/714103151.db2.gz LAVKAMLBSSJMMU-SNVBAGLBSA-N 1 1 303.322 1.099 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCn2cc[nH+]c21 ZINC000931523651 714118976 /nfs/dbraw/zinc/11/89/76/714118976.db2.gz HFIPWGOSVQADLY-UHFFFAOYSA-N 1 1 301.306 1.558 20 5 DDBDMO COC(=O)c1cnc(CC2CC[NH+](CC[N+](=O)[O-])CC2)s1 ZINC000931684125 714160016 /nfs/dbraw/zinc/16/00/16/714160016.db2.gz DGYYWTOUTLXMTO-UHFFFAOYSA-N 1 1 313.379 1.461 20 5 DDBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000932057075 714248406 /nfs/dbraw/zinc/24/84/06/714248406.db2.gz JCVQPTGGGVYBAZ-MBNYWOFBSA-N 1 1 322.365 1.231 20 5 DDBDMO Cn1ccc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000932133029 714267775 /nfs/dbraw/zinc/26/77/75/714267775.db2.gz NRKFHUUPRUPKFJ-LBPRGKRZSA-N 1 1 304.354 1.404 20 5 DDBDMO O=[N+]([O-])c1ccc(CN(C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923372388 714332249 /nfs/dbraw/zinc/33/22/49/714332249.db2.gz GKRKOWJOVWLTAD-INIZCTEOSA-N 1 1 317.389 1.938 20 5 DDBDMO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000923486958 714373220 /nfs/dbraw/zinc/37/32/20/714373220.db2.gz VXZNRJZMCIIWOF-GFCCVEGCSA-N 1 1 318.377 1.155 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000932930060 714439392 /nfs/dbraw/zinc/43/93/92/714439392.db2.gz VOVYYWMCCPBDDF-UHFFFAOYSA-N 1 1 305.334 1.456 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000932930060 714439393 /nfs/dbraw/zinc/43/93/93/714439393.db2.gz VOVYYWMCCPBDDF-UHFFFAOYSA-N 1 1 305.334 1.456 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934259196 714778269 /nfs/dbraw/zinc/77/82/69/714778269.db2.gz HHRNWSJIZRUSNC-IRXDYDNUSA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934259196 714778271 /nfs/dbraw/zinc/77/82/71/714778271.db2.gz HHRNWSJIZRUSNC-IRXDYDNUSA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934259196 714778273 /nfs/dbraw/zinc/77/82/73/714778273.db2.gz HHRNWSJIZRUSNC-IRXDYDNUSA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934272212 714783264 /nfs/dbraw/zinc/78/32/64/714783264.db2.gz IISXQMYKXHFQDK-GJZGRUSLSA-N 1 1 323.368 1.765 20 5 DDBDMO CC(C)CC[NH+]1CCC(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000925565382 714889227 /nfs/dbraw/zinc/88/92/27/714889227.db2.gz QFQRHJRNYNDSCV-UHFFFAOYSA-N 1 1 309.414 1.891 20 5 DDBDMO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022061367 734366799 /nfs/dbraw/zinc/36/67/99/734366799.db2.gz FHLCJGYUEJEFAD-QKPAOTATSA-N 1 1 317.389 1.705 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064126 734369117 /nfs/dbraw/zinc/36/91/17/734369117.db2.gz XHCLNTNKLSPGPA-LXTVHRRPSA-N 1 1 309.410 1.859 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211587826 735070037 /nfs/dbraw/zinc/07/00/37/735070037.db2.gz ZBGLQCAKIKNWQH-SNVBAGLBSA-N 1 1 322.300 1.097 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211587826 735070042 /nfs/dbraw/zinc/07/00/42/735070042.db2.gz ZBGLQCAKIKNWQH-SNVBAGLBSA-N 1 1 322.300 1.097 20 5 DDBDMO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932388 742777143 /nfs/dbraw/zinc/77/71/43/742777143.db2.gz VNNWQNKHDWHUKR-CHWSQXEVSA-N 1 1 311.769 1.519 20 5 DDBDMO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CC[N@@H+](C)CC ZINC001106841342 746434088 /nfs/dbraw/zinc/43/40/88/746434088.db2.gz DFIQWORJDSMGCP-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cn[nH]c1 ZINC001031559243 747034835 /nfs/dbraw/zinc/03/48/35/747034835.db2.gz CDYIRXGBRXZRDF-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO COc1ccc(OCC[N@H+]2[C@H](C)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001197334913 747141302 /nfs/dbraw/zinc/14/13/02/747141302.db2.gz FGFWJJPFGLPOGG-VXGBXAGGSA-N 1 1 310.350 1.827 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001197739738 747255516 /nfs/dbraw/zinc/25/55/16/747255516.db2.gz QIRRRIFZUGCELZ-UKTARXLSSA-N 1 1 322.361 1.037 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107280247 749726224 /nfs/dbraw/zinc/72/62/24/749726224.db2.gz KCPOKOSXAZUPNK-SNAWJCMRSA-N 1 1 321.381 1.416 20 5 DDBDMO CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019200 762199468 /nfs/dbraw/zinc/19/94/68/762199468.db2.gz FNZDXYVVUCRQKA-DZKIICNBSA-N 1 1 309.410 1.766 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022238 762200606 /nfs/dbraw/zinc/20/06/06/762200606.db2.gz RDIJWWVYPTYAHZ-HZSPNIEDSA-N 1 1 308.382 1.407 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022238 762200611 /nfs/dbraw/zinc/20/06/11/762200611.db2.gz RDIJWWVYPTYAHZ-HZSPNIEDSA-N 1 1 308.382 1.407 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000823753931 758348246 /nfs/dbraw/zinc/34/82/46/758348246.db2.gz CYCZGMZRZDWOBB-TXEJJXNPSA-N 1 1 314.345 1.995 20 5 DDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000829037765 759863914 /nfs/dbraw/zinc/86/39/14/759863914.db2.gz MIXZTHJYWZHKFB-QMTHXVAHSA-N 1 1 324.356 1.098 20 5 DDBDMO Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139100 760613142 /nfs/dbraw/zinc/61/31/42/760613142.db2.gz QNABSTYGPUJQLK-PRULPYPASA-N 1 1 324.406 1.162 20 5 DDBDMO CC(C)=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000148662 761541709 /nfs/dbraw/zinc/54/17/09/761541709.db2.gz JJXYGOVRASQYJI-HUUCEWRRSA-N 1 1 321.421 1.979 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2C)n1 ZINC001156981307 764256086 /nfs/dbraw/zinc/25/60/86/764256086.db2.gz YYIMPXZUCIXVOB-UHFFFAOYSA-N 1 1 304.310 1.600 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCOC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335722 766257712 /nfs/dbraw/zinc/25/77/12/766257712.db2.gz QPIBKPMOHIEPAV-BLLLJJGKSA-N 1 1 324.377 1.618 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC001045436430 766306612 /nfs/dbraw/zinc/30/66/12/766306612.db2.gz RAZGNLWQTNCMCS-HUUCEWRRSA-N 1 1 317.389 1.823 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@]23CC[N@@H+](C2)CCC3)c1[N+](=O)[O-] ZINC001144050855 772382434 /nfs/dbraw/zinc/38/24/34/772382434.db2.gz TXXLRRBVLOBJIK-CQSZACIVSA-N 1 1 307.354 1.096 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@H]21 ZINC001171815428 776482445 /nfs/dbraw/zinc/48/24/45/776482445.db2.gz VUEBVRQGQAEVSM-QMTHXVAHSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001173229363 777062436 /nfs/dbraw/zinc/06/24/36/777062436.db2.gz SVGNDKFKCFUJDU-HNNXBMFYSA-N 1 1 320.437 1.705 20 5 DDBDMO CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101541838 777232097 /nfs/dbraw/zinc/23/20/97/777232097.db2.gz XFZRLYHHMSKQQS-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO CC[C@@H]1[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021520 850518396 /nfs/dbraw/zinc/51/83/96/850518396.db2.gz LGKQCJPNRMFIDS-YXWQFLTLSA-N 1 1 309.410 1.955 20 5 DDBDMO CN(CCC[N@@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507571 851038924 /nfs/dbraw/zinc/03/89/24/851038924.db2.gz FQXUJRATGWKAKR-VXGBXAGGSA-N 1 1 319.352 1.477 20 5 DDBDMO CN(CCC[N@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273507571 851038934 /nfs/dbraw/zinc/03/89/34/851038934.db2.gz FQXUJRATGWKAKR-VXGBXAGGSA-N 1 1 319.352 1.477 20 5 DDBDMO CN(CCC[N@@H+](C)CC1CC(F)(F)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273507571 851038944 /nfs/dbraw/zinc/03/89/44/851038944.db2.gz FQXUJRATGWKAKR-VXGBXAGGSA-N 1 1 319.352 1.477 20 5 DDBDMO Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001274014633 851852375 /nfs/dbraw/zinc/85/23/75/851852375.db2.gz BAFVQJRIQLNMHE-MZSZDEQASA-N 1 1 321.352 1.561 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020491 859529961 /nfs/dbraw/zinc/52/99/61/859529961.db2.gz OOAJUAZQBRSMDJ-TYNCELHUSA-N 1 1 318.377 1.160 20 5 DDBDMO O=[N+]([O-])C[C@H](OC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961851 881612333 /nfs/dbraw/zinc/61/23/33/881612333.db2.gz SBEBDIARCKVSJI-SJORKVTESA-N 1 1 320.389 1.959 20 5 DDBDMO O=[N+]([O-])C[C@H](OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961851 881612340 /nfs/dbraw/zinc/61/23/40/881612340.db2.gz SBEBDIARCKVSJI-SJORKVTESA-N 1 1 320.389 1.959 20 5 DDBDMO Cc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157766900 864115989 /nfs/dbraw/zinc/11/59/89/864115989.db2.gz BKTFJHFGGVIGLX-HUUCEWRRSA-N 1 1 305.378 1.299 20 5 DDBDMO Cc1ccc(-c2ccc(N[C@H](N)CCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC001159786526 865522341 /nfs/dbraw/zinc/52/23/41/865522341.db2.gz CSSREUWVKOXHJO-AWEZNQCLSA-N 1 1 316.365 1.796 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1cc(CC[NH3+])c2cnccc21 ZINC001160949720 866207699 /nfs/dbraw/zinc/20/76/99/866207699.db2.gz BKTOLUFSLXOULV-UHFFFAOYSA-N 1 1 313.317 1.377 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001325113610 867784062 /nfs/dbraw/zinc/78/40/62/867784062.db2.gz MEQKXEBFEBUHKH-NSHDSACASA-N 1 1 307.354 1.265 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001335071950 868044128 /nfs/dbraw/zinc/04/41/28/868044128.db2.gz ITSCSYBEJBUKMM-UHFFFAOYSA-N 1 1 321.299 1.974 20 5 DDBDMO Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])cc3N)CC2)[nH+]1 ZINC001163665560 868607087 /nfs/dbraw/zinc/60/70/87/868607087.db2.gz JBERXKYPNNNVGU-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2C[C@H](F)C[C@H](CO)C2)ncc1[N+](=O)[O-] ZINC001164050486 868912994 /nfs/dbraw/zinc/91/29/94/868912994.db2.gz NQMPFZPBEYOJJB-JCMPJRQWSA-N 1 1 324.356 1.679 20 5 DDBDMO Cc1nocc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490584 869230588 /nfs/dbraw/zinc/23/05/88/869230588.db2.gz NFYCSUXHCYLXGB-CHWSQXEVSA-N 1 1 322.365 1.024 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001226431933 882426140 /nfs/dbraw/zinc/42/61/40/882426140.db2.gz VIXUEQXPOCFHKL-SECBINFHSA-N 1 1 310.306 1.473 20 5 DDBDMO C[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670213 870618802 /nfs/dbraw/zinc/61/88/02/870618802.db2.gz XTGJCMIDGUKNOV-NEPJUHHUSA-N 1 1 322.413 1.463 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC001303959585 871169303 /nfs/dbraw/zinc/16/93/03/871169303.db2.gz MTBMHSAIXDIKQB-UHFFFAOYSA-N 1 1 316.321 1.117 20 5 DDBDMO CCOC(=O)COCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001307761184 871452873 /nfs/dbraw/zinc/45/28/73/871452873.db2.gz PUGZOFYSDSKYNC-UHFFFAOYSA-N 1 1 310.350 1.649 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c([N+](=O)[O-])n1 ZINC001307781894 871452930 /nfs/dbraw/zinc/45/29/30/871452930.db2.gz QDNYIKWJATWXFZ-NSHDSACASA-N 1 1 323.397 1.442 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N1CCCO1 ZINC001308547106 871508781 /nfs/dbraw/zinc/50/87/81/871508781.db2.gz SWLGQGQLGFJLHZ-UHFFFAOYSA-N 1 1 309.322 1.247 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCCN(C)C2=O)c1[N+](=O)[O-] ZINC001206691565 872512661 /nfs/dbraw/zinc/51/26/61/872512661.db2.gz JXUNNBILMBMMMP-SNVBAGLBSA-N 1 1 309.322 1.019 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001347892565 874301287 /nfs/dbraw/zinc/30/12/87/874301287.db2.gz ZGXJWMNOVPETNX-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO Cc1nc(N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ncc1[N+](=O)[O-] ZINC001353016535 877070474 /nfs/dbraw/zinc/07/04/74/877070474.db2.gz DQIMMBYPVMVPMI-OLZOCXBDSA-N 1 1 321.381 1.604 20 5 DDBDMO CC[N@@H+]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602936 883568182 /nfs/dbraw/zinc/56/81/82/883568182.db2.gz HIXNYFJGXSQXKB-JTQLQIEISA-N 1 1 308.338 1.831 20 5 DDBDMO CC[N@H+]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602936 883568192 /nfs/dbraw/zinc/56/81/92/883568192.db2.gz HIXNYFJGXSQXKB-JTQLQIEISA-N 1 1 308.338 1.831 20 5 DDBDMO COCC(=O)NCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001230940012 885064469 /nfs/dbraw/zinc/06/44/69/885064469.db2.gz MDVMDZNWEMSAFT-UHFFFAOYSA-N 1 1 301.368 1.241 20 5 DDBDMO COCC(=O)NCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001230940012 885064486 /nfs/dbraw/zinc/06/44/86/885064486.db2.gz MDVMDZNWEMSAFT-UHFFFAOYSA-N 1 1 301.368 1.241 20 5 DDBDMO C[N@@H+](CCCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001231018010 885138941 /nfs/dbraw/zinc/13/89/41/885138941.db2.gz OTWUWRIZGWTJGA-UHFFFAOYSA-N 1 1 301.293 1.798 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233714018 887245447 /nfs/dbraw/zinc/24/54/47/887245447.db2.gz YEGADFVFUXYTTI-JMJZKYOTSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)cnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233714018 887245465 /nfs/dbraw/zinc/24/54/65/887245465.db2.gz YEGADFVFUXYTTI-JMJZKYOTSA-N 1 1 311.725 1.826 20 5 DDBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)c1 ZINC001234408464 887945550 /nfs/dbraw/zinc/94/55/50/887945550.db2.gz MSBUGPKDTXEPGK-LBPRGKRZSA-N 1 1 308.334 1.783 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccon1)Cc1ccccc1[N+](=O)[O-] ZINC001234512365 888041779 /nfs/dbraw/zinc/04/17/79/888041779.db2.gz HENWHVINMWBUTD-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001291871226 913591638 /nfs/dbraw/zinc/59/16/38/913591638.db2.gz DWYRAPUQIDDFJJ-UHFFFAOYSA-N 1 1 303.322 1.502 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001254555434 896498192 /nfs/dbraw/zinc/49/81/92/896498192.db2.gz GMBJSQBYJSLDDZ-BNOWGMLFSA-N 1 1 303.362 1.546 20 5 DDBDMO CCOC(=O)CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254574989 896508868 /nfs/dbraw/zinc/50/88/68/896508868.db2.gz MRWMRQYYPWKFTP-ZDUSSCGKSA-N 1 1 320.345 1.374 20 5 DDBDMO CC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611678 896532922 /nfs/dbraw/zinc/53/29/22/896532922.db2.gz QZEULWTXESPNMS-JKSUJKDBSA-N 1 1 303.362 1.615 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001293263421 914378999 /nfs/dbraw/zinc/37/89/99/914378999.db2.gz YABBBJJWOWAWOS-NSHDSACASA-N 1 1 304.350 1.391 20 5 DDBDMO Cc1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001264010895 900870300 /nfs/dbraw/zinc/87/03/00/900870300.db2.gz OEDKJKJTHDFMCV-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451334532 231070050 /nfs/dbraw/zinc/07/00/50/231070050.db2.gz BVFUGYKBVKEADN-YRGRVCCFSA-N 1 1 308.382 1.844 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262256 529480920 /nfs/dbraw/zinc/48/09/20/529480920.db2.gz XDLNEBYOZMHOHR-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262256 529480923 /nfs/dbraw/zinc/48/09/23/529480923.db2.gz XDLNEBYOZMHOHR-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000614829347 362041851 /nfs/dbraw/zinc/04/18/51/362041851.db2.gz VZBFSQWYZMVKFD-UHFFFAOYSA-N 1 1 308.382 1.500 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000614829347 362041854 /nfs/dbraw/zinc/04/18/54/362041854.db2.gz VZBFSQWYZMVKFD-UHFFFAOYSA-N 1 1 308.382 1.500 20 5 DDBDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550319 185302281 /nfs/dbraw/zinc/30/22/81/185302281.db2.gz SVLIWMZTHGHALV-KGLIPLIRSA-N 1 1 323.393 1.892 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330895788 232146247 /nfs/dbraw/zinc/14/62/47/232146247.db2.gz GJWAYHMYYYVHRG-VXGBXAGGSA-N 1 1 307.350 1.573 20 5 DDBDMO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000272659314 210064750 /nfs/dbraw/zinc/06/47/50/210064750.db2.gz HCOPAJYLOCJWAQ-IAQYHMDHSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000272659314 210064753 /nfs/dbraw/zinc/06/47/53/210064753.db2.gz HCOPAJYLOCJWAQ-IAQYHMDHSA-N 1 1 319.361 1.857 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785211 215143517 /nfs/dbraw/zinc/14/35/17/215143517.db2.gz UWXOSIBUIBNCBP-CJNGLKHVSA-N 1 1 323.393 1.281 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000152404410 186069408 /nfs/dbraw/zinc/06/94/08/186069408.db2.gz IUHZZWMLGGKCRB-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682471 186096658 /nfs/dbraw/zinc/09/66/58/186096658.db2.gz PXQXDRABJSXNJL-NWDGAFQWSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682471 186096659 /nfs/dbraw/zinc/09/66/59/186096659.db2.gz PXQXDRABJSXNJL-NWDGAFQWSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cc(C[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])cc1OC ZINC000179724396 186210748 /nfs/dbraw/zinc/21/07/48/186210748.db2.gz XCZPEYDRUNGFHN-UHFFFAOYSA-N 1 1 310.350 1.959 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181883642 186214809 /nfs/dbraw/zinc/21/48/09/186214809.db2.gz ZDBWIQRTKSHOEF-GFCCVEGCSA-N 1 1 312.366 1.427 20 5 DDBDMO CC[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024670922 352190819 /nfs/dbraw/zinc/19/08/19/352190819.db2.gz PFZOYKZDDMEXRM-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO CC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024670922 352190820 /nfs/dbraw/zinc/19/08/20/352190820.db2.gz PFZOYKZDDMEXRM-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO CNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000012333691 352147516 /nfs/dbraw/zinc/14/75/16/352147516.db2.gz MTAFQBRDFFHZTL-UHFFFAOYSA-N 1 1 307.350 1.561 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCn3cccn3)C2)nc1 ZINC000072665272 191211431 /nfs/dbraw/zinc/21/14/31/191211431.db2.gz PRXSNYSNMXZKBT-LBPRGKRZSA-N 1 1 302.338 1.373 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000052191453 352603651 /nfs/dbraw/zinc/60/36/51/352603651.db2.gz GFKRDHSZTLPCGT-UHFFFAOYSA-N 1 1 304.306 1.295 20 5 DDBDMO CC[N@@H+]1CCc2[nH]c(=NC(=O)c3cc([N+](=O)[O-])c[nH]3)sc2C1 ZINC000051205191 352581337 /nfs/dbraw/zinc/58/13/37/352581337.db2.gz BDCWFIIPJSNQLO-UHFFFAOYSA-N 1 1 321.362 1.432 20 5 DDBDMO CC[N@H+]1CCc2[nH]c(=NC(=O)c3cc([N+](=O)[O-])c[nH]3)sc2C1 ZINC000051205191 352581340 /nfs/dbraw/zinc/58/13/40/352581340.db2.gz BDCWFIIPJSNQLO-UHFFFAOYSA-N 1 1 321.362 1.432 20 5 DDBDMO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000056510208 352776588 /nfs/dbraw/zinc/77/65/88/352776588.db2.gz SKTHQBKAMNXZBS-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553462 352820227 /nfs/dbraw/zinc/82/02/27/352820227.db2.gz BAWATORFZUOABX-NSHDSACASA-N 1 1 305.334 1.327 20 5 DDBDMO CCC[N@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072953256 191256731 /nfs/dbraw/zinc/25/67/31/191256731.db2.gz PPQBFDOLHLIUGE-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072953256 191256735 /nfs/dbraw/zinc/25/67/35/191256735.db2.gz PPQBFDOLHLIUGE-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068008071 353080206 /nfs/dbraw/zinc/08/02/06/353080206.db2.gz KGQOLYTWQWWBLR-CYBMUJFWSA-N 1 1 323.397 1.562 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000068960660 353138794 /nfs/dbraw/zinc/13/87/94/353138794.db2.gz BXPHMSZTAYQJAR-UHFFFAOYSA-N 1 1 301.368 1.133 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069370704 353158754 /nfs/dbraw/zinc/15/87/54/353158754.db2.gz OVKGAJRFPXTFTJ-CYBMUJFWSA-N 1 1 321.377 1.746 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000069470882 353162492 /nfs/dbraw/zinc/16/24/92/353162492.db2.gz GPKUTIGHPCURFK-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000072713610 353210599 /nfs/dbraw/zinc/21/05/99/353210599.db2.gz FZJDZVBFMYRHMB-PWSUYJOCSA-N 1 1 309.366 1.933 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3CCOC[C@@H]3C2)c1 ZINC000579315652 422743575 /nfs/dbraw/zinc/74/35/75/422743575.db2.gz YQADQXKTAWVFIN-AWEZNQCLSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3CCOC[C@@H]3C2)c1 ZINC000579315652 422743580 /nfs/dbraw/zinc/74/35/80/422743580.db2.gz YQADQXKTAWVFIN-AWEZNQCLSA-N 1 1 314.345 1.664 20 5 DDBDMO CCO[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076403973 353418975 /nfs/dbraw/zinc/41/89/75/353418975.db2.gz ZIRIQXHFRWVYKK-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076403973 353418977 /nfs/dbraw/zinc/41/89/77/353418977.db2.gz ZIRIQXHFRWVYKK-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO COc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174833481 198391636 /nfs/dbraw/zinc/39/16/36/198391636.db2.gz IHUHUVUCYVCTLW-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc2c(c1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000174833481 198391638 /nfs/dbraw/zinc/39/16/38/198391638.db2.gz IHUHUVUCYVCTLW-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000156826954 354222720 /nfs/dbraw/zinc/22/27/20/354222720.db2.gz SHGWGBVPXFSMOK-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000156826954 354222721 /nfs/dbraw/zinc/22/27/21/354222721.db2.gz SHGWGBVPXFSMOK-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000357243407 291029759 /nfs/dbraw/zinc/02/97/59/291029759.db2.gz XEWZKHLHQUZTAC-SNVBAGLBSA-N 1 1 319.365 1.518 20 5 DDBDMO CNc1c(C(=O)N2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000402681656 354669050 /nfs/dbraw/zinc/66/90/50/354669050.db2.gz HWHBKWJGKVATFT-UHFFFAOYSA-N 1 1 324.356 1.754 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706849 354830608 /nfs/dbraw/zinc/83/06/08/354830608.db2.gz SKBFFHFHMQBQGB-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706849 354830610 /nfs/dbraw/zinc/83/06/10/354830610.db2.gz SKBFFHFHMQBQGB-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000589510630 354997730 /nfs/dbraw/zinc/99/77/30/354997730.db2.gz BIRNOFJFECCVKQ-YPMHNXCESA-N 1 1 322.361 1.974 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000590554880 355112728 /nfs/dbraw/zinc/11/27/28/355112728.db2.gz IZTLJYMCJUYPDG-NSHDSACASA-N 1 1 323.349 1.513 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000591004639 355231136 /nfs/dbraw/zinc/23/11/36/355231136.db2.gz BULOZFALJYNHAU-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000591004639 355231137 /nfs/dbraw/zinc/23/11/37/355231137.db2.gz BULOZFALJYNHAU-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000592747090 355673928 /nfs/dbraw/zinc/67/39/28/355673928.db2.gz IGIYOSKZADIREI-BXUZGUMPSA-N 1 1 306.366 1.463 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H]2CO)c1 ZINC000593024741 355772731 /nfs/dbraw/zinc/77/27/31/355772731.db2.gz LOCXTLDBABTFBF-IINYFYTJSA-N 1 1 308.334 1.584 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593720280 355976575 /nfs/dbraw/zinc/97/65/75/355976575.db2.gz JPMZGUOOVYVVRN-SMDDNHRTSA-N 1 1 307.325 1.439 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000593991706 356081081 /nfs/dbraw/zinc/08/10/81/356081081.db2.gz JAMVJJOKAFLGAC-AWEZNQCLSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594062996 356103561 /nfs/dbraw/zinc/10/35/61/356103561.db2.gz HNZPJQAWFBHXJY-LLVKDONJSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594062996 356103562 /nfs/dbraw/zinc/10/35/62/356103562.db2.gz HNZPJQAWFBHXJY-LLVKDONJSA-N 1 1 307.350 1.403 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000594198106 356137555 /nfs/dbraw/zinc/13/75/55/356137555.db2.gz RXLMSIDMLHIFIY-NWDGAFQWSA-N 1 1 321.381 1.558 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284576044 283158758 /nfs/dbraw/zinc/15/87/58/283158758.db2.gz OUVMIJWTABCKFZ-VXGBXAGGSA-N 1 1 312.757 1.553 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595442478 356494583 /nfs/dbraw/zinc/49/45/83/356494583.db2.gz SEZIVVWUXIMLIT-AWEZNQCLSA-N 1 1 312.297 1.546 20 5 DDBDMO Cc1noc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595452137 356498349 /nfs/dbraw/zinc/49/83/49/356498349.db2.gz YHRJQUCHUKEAEL-SNVBAGLBSA-N 1 1 312.370 1.168 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595608477 356575663 /nfs/dbraw/zinc/57/56/63/356575663.db2.gz QVHLHURTPITNGN-CYBMUJFWSA-N 1 1 317.349 1.587 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595657641 356594931 /nfs/dbraw/zinc/59/49/31/356594931.db2.gz DUZNYHINDLTRNK-MRXNPFEDSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748320 356635043 /nfs/dbraw/zinc/63/50/43/356635043.db2.gz FNDKNAFLWDZUBV-FIRUKDTASA-N 1 1 324.377 1.283 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595727836 356624518 /nfs/dbraw/zinc/62/45/18/356624518.db2.gz DLFQCCWPAUKJJN-MFKMUULPSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595727836 356624520 /nfs/dbraw/zinc/62/45/20/356624520.db2.gz DLFQCCWPAUKJJN-MFKMUULPSA-N 1 1 307.325 1.834 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595728784 356625393 /nfs/dbraw/zinc/62/53/93/356625393.db2.gz OWHMWUFJAAJYAS-STQMWFEESA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595733289 356627592 /nfs/dbraw/zinc/62/75/92/356627592.db2.gz QZURUBYMSQQQNE-ATCWAGBWSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767443 356643656 /nfs/dbraw/zinc/64/36/56/356643656.db2.gz XKZTXERIGOUDCY-FRRDWIJNSA-N 1 1 310.350 1.180 20 5 DDBDMO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596068299 356760189 /nfs/dbraw/zinc/76/01/89/356760189.db2.gz HIZLISXNMPQRJT-JTQLQIEISA-N 1 1 306.313 1.423 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596074496 356763646 /nfs/dbraw/zinc/76/36/46/356763646.db2.gz AZGODRKAXQHARE-TZMCWYRMSA-N 1 1 304.350 1.732 20 5 DDBDMO NC(=O)c1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000596107401 356774350 /nfs/dbraw/zinc/77/43/50/356774350.db2.gz HYEHKIAMTWLMFE-SNVBAGLBSA-N 1 1 315.333 1.801 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597574709 357233987 /nfs/dbraw/zinc/23/39/87/357233987.db2.gz GYMOQASUKBQMRM-NEPJUHHUSA-N 1 1 310.329 1.192 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598591342 357643778 /nfs/dbraw/zinc/64/37/78/357643778.db2.gz AANKBPMTJKVVKE-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667430 357677582 /nfs/dbraw/zinc/67/75/82/357677582.db2.gz GPPVAZVBJXFPFM-OTYXRUKQSA-N 1 1 307.354 1.224 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185128341 199813318 /nfs/dbraw/zinc/81/33/18/199813318.db2.gz QNRDFNIVVJHSNI-IVZWLZJFSA-N 1 1 307.354 1.080 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600192456 358152326 /nfs/dbraw/zinc/15/23/26/358152326.db2.gz OQFZEHPSRBVXHJ-OAHLLOKOSA-N 1 1 308.334 1.667 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600228812 358163408 /nfs/dbraw/zinc/16/34/08/358163408.db2.gz FWOZIMIDOPTOBI-NSHDSACASA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600228812 358163411 /nfs/dbraw/zinc/16/34/11/358163411.db2.gz FWOZIMIDOPTOBI-NSHDSACASA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600228812 358163416 /nfs/dbraw/zinc/16/34/16/358163416.db2.gz FWOZIMIDOPTOBI-NSHDSACASA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCOCC2)C1 ZINC000600695610 358285171 /nfs/dbraw/zinc/28/51/71/358285171.db2.gz ABJLNZVDMYSUTA-UHFFFAOYSA-N 1 1 320.349 1.580 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCN3CCOCC3)c2c1 ZINC000601098931 358401720 /nfs/dbraw/zinc/40/17/20/358401720.db2.gz KPSFQJCHODLTAV-UHFFFAOYSA-N 1 1 302.334 1.309 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCC3(O)CCOCC3)c2c1 ZINC000601166109 358430047 /nfs/dbraw/zinc/43/00/47/358430047.db2.gz YHOWTDQCOMGLOJ-UHFFFAOYSA-N 1 1 317.345 1.908 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601976236 358762818 /nfs/dbraw/zinc/76/28/18/358762818.db2.gz OVXQFGDAQMUICC-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602613975 359074139 /nfs/dbraw/zinc/07/41/39/359074139.db2.gz BZRUMSBBCKWTLS-OAHLLOKOSA-N 1 1 320.437 1.753 20 5 DDBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CN(C)CCO1 ZINC000602575388 359051623 /nfs/dbraw/zinc/05/16/23/359051623.db2.gz HJBNSAKSFUQUQE-HZMBPMFUSA-N 1 1 320.349 1.545 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1O ZINC000602789368 359193034 /nfs/dbraw/zinc/19/30/34/359193034.db2.gz VGCKTZMUIPLAAU-UHFFFAOYSA-N 1 1 320.349 1.946 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000602850228 359237571 /nfs/dbraw/zinc/23/75/71/359237571.db2.gz QAMGFEFHNMWXCZ-LBPRGKRZSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000602851497 359237610 /nfs/dbraw/zinc/23/76/10/359237610.db2.gz KRRFVMFIYYBNJR-CQSZACIVSA-N 1 1 301.350 1.984 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000602950565 359316666 /nfs/dbraw/zinc/31/66/66/359316666.db2.gz FUZFZLMGKIXLHL-QWRGUYRKSA-N 1 1 307.354 1.276 20 5 DDBDMO C[C@](CO)([NH2+]CC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962315 359325175 /nfs/dbraw/zinc/32/51/75/359325175.db2.gz IPSHTHBIJLLBDT-OAHLLOKOSA-N 1 1 307.350 1.014 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602961564 359325778 /nfs/dbraw/zinc/32/57/78/359325778.db2.gz VGVOIBOBKLEPCM-NSHDSACASA-N 1 1 307.354 1.278 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602961564 359325781 /nfs/dbraw/zinc/32/57/81/359325781.db2.gz VGVOIBOBKLEPCM-NSHDSACASA-N 1 1 307.354 1.278 20 5 DDBDMO Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000186781542 200008960 /nfs/dbraw/zinc/00/89/60/200008960.db2.gz RUDSOWZQDAFRNG-UHFFFAOYSA-N 1 1 306.366 1.652 20 5 DDBDMO CCO[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436834 359750642 /nfs/dbraw/zinc/75/06/42/359750642.db2.gz ASQVPBYQBVPZDN-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000604543997 359764168 /nfs/dbraw/zinc/76/41/68/359764168.db2.gz FJDTYCWNTWVAHV-ZDUSSCGKSA-N 1 1 320.393 1.853 20 5 DDBDMO COc1ccc(CC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000609016517 360257271 /nfs/dbraw/zinc/25/72/71/360257271.db2.gz JXTWYNULWFOKQR-UHFFFAOYSA-N 1 1 319.361 1.453 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609521480 360317246 /nfs/dbraw/zinc/31/72/46/360317246.db2.gz ISYFKWKJANTGLN-SECBINFHSA-N 1 1 307.306 1.005 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276731 360687778 /nfs/dbraw/zinc/68/77/78/360687778.db2.gz FRILYLBRAXHRDM-JTQLQIEISA-N 1 1 323.349 1.180 20 5 DDBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564063 360760747 /nfs/dbraw/zinc/76/07/47/360760747.db2.gz VAXGEIWCBLSGSI-VXGBXAGGSA-N 1 1 322.361 1.959 20 5 DDBDMO CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000611615845 360776971 /nfs/dbraw/zinc/77/69/71/360776971.db2.gz CZVMGNLRQDKSFN-UONOGXRCSA-N 1 1 322.409 1.888 20 5 DDBDMO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000292665469 223191478 /nfs/dbraw/zinc/19/14/78/223191478.db2.gz OSGJTDITBIFJRS-SECBINFHSA-N 1 1 319.358 1.210 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359080698 299322037 /nfs/dbraw/zinc/32/20/37/299322037.db2.gz HCVUYLSYNDXNRZ-UHFFFAOYSA-N 1 1 321.381 1.183 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000619578460 364070545 /nfs/dbraw/zinc/07/05/45/364070545.db2.gz JAGJCYPMKBWURJ-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000619578381 364070909 /nfs/dbraw/zinc/07/09/09/364070909.db2.gz HAPQTGJOXYQHPT-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516991 364047303 /nfs/dbraw/zinc/04/73/03/364047303.db2.gz SRJUTHBBAUVZFU-GWCFXTLKSA-N 1 1 321.333 1.708 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516991 364047308 /nfs/dbraw/zinc/04/73/08/364047308.db2.gz SRJUTHBBAUVZFU-GWCFXTLKSA-N 1 1 321.333 1.708 20 5 DDBDMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873733 364170647 /nfs/dbraw/zinc/17/06/47/364170647.db2.gz SVMCDIPZUMDFES-CQSZACIVSA-N 1 1 318.377 1.023 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274967508 212047933 /nfs/dbraw/zinc/04/79/33/212047933.db2.gz VOPFGGNLZBVRSW-UHFFFAOYSA-N 1 1 300.318 1.545 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274967508 212047934 /nfs/dbraw/zinc/04/79/34/212047934.db2.gz VOPFGGNLZBVRSW-UHFFFAOYSA-N 1 1 300.318 1.545 20 5 DDBDMO C[N@H+](CCOCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282539883 217072360 /nfs/dbraw/zinc/07/23/60/217072360.db2.gz QXQKAHPUQXJGCF-UHFFFAOYSA-N 1 1 321.333 1.691 20 5 DDBDMO C[N@@H+](CCOCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282539883 217072363 /nfs/dbraw/zinc/07/23/63/217072363.db2.gz QXQKAHPUQXJGCF-UHFFFAOYSA-N 1 1 321.333 1.691 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266194180 205172723 /nfs/dbraw/zinc/17/27/23/205172723.db2.gz HLFFQPLTUOJQNY-NSHDSACASA-N 1 1 321.381 1.257 20 5 DDBDMO CN(CC(=O)NC[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000266336292 205277179 /nfs/dbraw/zinc/27/71/79/205277179.db2.gz UCKVFLUBEUGLAV-GFCCVEGCSA-N 1 1 306.366 1.241 20 5 DDBDMO CO[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000267631636 206185235 /nfs/dbraw/zinc/18/52/35/206185235.db2.gz GZVOSANBESOCKJ-LBPRGKRZSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000267631636 206185240 /nfs/dbraw/zinc/18/52/40/206185240.db2.gz GZVOSANBESOCKJ-LBPRGKRZSA-N 1 1 304.306 1.866 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000336847704 249254425 /nfs/dbraw/zinc/25/44/25/249254425.db2.gz GAYVNADIHRVIFS-UHFFFAOYSA-N 1 1 317.342 1.154 20 5 DDBDMO Cc1c(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000284471381 218040064 /nfs/dbraw/zinc/04/00/64/218040064.db2.gz AGLHBCNXDNPPAF-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104850680 194046703 /nfs/dbraw/zinc/04/67/03/194046703.db2.gz COHNZNGJWDLJOS-LLVKDONJSA-N 1 1 320.393 1.947 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104887600 194049600 /nfs/dbraw/zinc/04/96/00/194049600.db2.gz HLVKLSXJWZAAEQ-LLVKDONJSA-N 1 1 308.382 1.946 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338588525 250043019 /nfs/dbraw/zinc/04/30/19/250043019.db2.gz YHQGUZUGYDEVHV-CQSZACIVSA-N 1 1 311.313 1.330 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341084681 251371698 /nfs/dbraw/zinc/37/16/98/251371698.db2.gz JEYQBYXNEIKSMP-UHFFFAOYSA-N 1 1 308.382 1.777 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341066155 251364806 /nfs/dbraw/zinc/36/48/06/251364806.db2.gz JNKQKMVXKGHYPJ-PHIMTYICSA-N 1 1 323.397 1.629 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCSCC1 ZINC000352378769 285007987 /nfs/dbraw/zinc/00/79/87/285007987.db2.gz QJDFZETXTKQVJO-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO COCCCNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571841 285149096 /nfs/dbraw/zinc/14/90/96/285149096.db2.gz ZNYMZOJAPRSOJY-CYBMUJFWSA-N 1 1 323.393 1.610 20 5 DDBDMO COCCCNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571841 285149100 /nfs/dbraw/zinc/14/91/00/285149100.db2.gz ZNYMZOJAPRSOJY-CYBMUJFWSA-N 1 1 323.393 1.610 20 5 DDBDMO COC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028474 533131127 /nfs/dbraw/zinc/13/11/27/533131127.db2.gz HFXUIFUSYPTRKX-HUUCEWRRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482053 221007124 /nfs/dbraw/zinc/00/71/24/221007124.db2.gz RVDLJZZBSPQZCO-ZYHUDNBSSA-N 1 1 317.349 1.947 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000289518060 221035166 /nfs/dbraw/zinc/03/51/66/221035166.db2.gz CXQQWOMLHWWTAT-UHFFFAOYSA-N 1 1 305.342 1.169 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)nc1 ZINC000121613441 195317504 /nfs/dbraw/zinc/31/75/04/195317504.db2.gz CUHSTHUGSJZPTG-SCZZXKLOSA-N 1 1 320.271 1.399 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)nc1 ZINC000121613441 195317505 /nfs/dbraw/zinc/31/75/05/195317505.db2.gz CUHSTHUGSJZPTG-SCZZXKLOSA-N 1 1 320.271 1.399 20 5 DDBDMO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000331013448 533314857 /nfs/dbraw/zinc/31/48/57/533314857.db2.gz KNHPSMRBQBVBHC-JTQLQIEISA-N 1 1 310.329 1.308 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292833131 292030467 /nfs/dbraw/zinc/03/04/67/292030467.db2.gz PWKIKCVIFNWDOR-AOOOYVTPSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292833131 292030470 /nfs/dbraw/zinc/03/04/70/292030470.db2.gz PWKIKCVIFNWDOR-AOOOYVTPSA-N 1 1 308.338 1.305 20 5 DDBDMO O=C1NCCCC[C@H]1[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000128736730 407565783 /nfs/dbraw/zinc/56/57/83/407565783.db2.gz VQBBXXLRHUCNSZ-OAHLLOKOSA-N 1 1 318.377 1.386 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079943480 407066121 /nfs/dbraw/zinc/06/61/21/407066121.db2.gz ACKFFDPFOFNKGO-ZDUSSCGKSA-N 1 1 322.409 1.878 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2CO)c2c(c1)COCO2 ZINC000052870883 407159493 /nfs/dbraw/zinc/15/94/93/407159493.db2.gz FJMPRXQOSZFDRF-ZDUSSCGKSA-N 1 1 308.334 1.808 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2CO)c2c(c1)COCO2 ZINC000052870883 407159498 /nfs/dbraw/zinc/15/94/98/407159498.db2.gz FJMPRXQOSZFDRF-ZDUSSCGKSA-N 1 1 308.334 1.808 20 5 DDBDMO CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000103062315 407330410 /nfs/dbraw/zinc/33/04/10/407330410.db2.gz IRPDQUWEWTZAQN-UHFFFAOYSA-N 1 1 323.349 1.146 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000097161133 407284401 /nfs/dbraw/zinc/28/44/01/407284401.db2.gz RMXIEFRRTJHRFU-UHFFFAOYSA-N 1 1 303.322 1.249 20 5 DDBDMO C[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000097161133 407284402 /nfs/dbraw/zinc/28/44/02/407284402.db2.gz RMXIEFRRTJHRFU-UHFFFAOYSA-N 1 1 303.322 1.249 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000097161133 407284404 /nfs/dbraw/zinc/28/44/04/407284404.db2.gz RMXIEFRRTJHRFU-UHFFFAOYSA-N 1 1 303.322 1.249 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124319855 407354693 /nfs/dbraw/zinc/35/46/93/407354693.db2.gz VTHTYBKRYNZQCH-YPMHNXCESA-N 1 1 323.397 1.431 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284071 407336042 /nfs/dbraw/zinc/33/60/42/407336042.db2.gz ILKCSPUSYCBXHT-RYUDHWBXSA-N 1 1 307.350 1.559 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000271012747 407469744 /nfs/dbraw/zinc/46/97/44/407469744.db2.gz ZWMNPPCSHVPJIQ-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000271012747 407469747 /nfs/dbraw/zinc/46/97/47/407469747.db2.gz ZWMNPPCSHVPJIQ-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271173362 407554161 /nfs/dbraw/zinc/55/41/61/407554161.db2.gz DUZLUPTXNLJIGG-INIZCTEOSA-N 1 1 321.377 1.821 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170809391 407510721 /nfs/dbraw/zinc/51/07/21/407510721.db2.gz SQYLJKVUPSKUAM-LBPRGKRZSA-N 1 1 322.365 1.139 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000178862626 407630841 /nfs/dbraw/zinc/63/08/41/407630841.db2.gz KQMCAXPNUNQWHU-GJZGRUSLSA-N 1 1 310.350 1.102 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000115577385 407697623 /nfs/dbraw/zinc/69/76/23/407697623.db2.gz IUEVFRFEEPCCHE-OCCSQVGLSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000115577385 407697631 /nfs/dbraw/zinc/69/76/31/407697631.db2.gz IUEVFRFEEPCCHE-OCCSQVGLSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000179035790 407698779 /nfs/dbraw/zinc/69/87/79/407698779.db2.gz OYLXZPNWCCXJKE-LLVKDONJSA-N 1 1 309.391 1.648 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272164028 407801606 /nfs/dbraw/zinc/80/16/06/407801606.db2.gz ZSCCFCXYDDADKB-OLZOCXBDSA-N 1 1 321.377 1.740 20 5 DDBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1COCC[NH2+]1 ZINC000238021749 407872858 /nfs/dbraw/zinc/87/28/58/407872858.db2.gz YITAXBAEUBBQAM-AWEZNQCLSA-N 1 1 307.350 1.022 20 5 DDBDMO CCOC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465525 407881513 /nfs/dbraw/zinc/88/15/13/407881513.db2.gz LCMKLGYNMXOTNJ-LLVKDONJSA-N 1 1 308.338 1.429 20 5 DDBDMO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000134054573 407883053 /nfs/dbraw/zinc/88/30/53/407883053.db2.gz RTOORFLEXWVDHX-RISCZKNCSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134054573 407883060 /nfs/dbraw/zinc/88/30/60/407883060.db2.gz RTOORFLEXWVDHX-RISCZKNCSA-N 1 1 322.365 1.113 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174120559 407917424 /nfs/dbraw/zinc/91/74/24/407917424.db2.gz NAWNDYRJJGMMJQ-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272562887 407986486 /nfs/dbraw/zinc/98/64/86/407986486.db2.gz UNRDILDCLUKAFC-JSGCOSHPSA-N 1 1 319.361 1.526 20 5 DDBDMO CSCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245450842 407987522 /nfs/dbraw/zinc/98/75/22/407987522.db2.gz OZRLKRWEXGKIDH-CMPLNLGQSA-N 1 1 302.400 1.226 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000189693499 408082618 /nfs/dbraw/zinc/08/26/18/408082618.db2.gz CQBSLXVHWXBGCE-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000175242749 408086496 /nfs/dbraw/zinc/08/64/96/408086496.db2.gz CAZGNSMIEPJELL-NSHDSACASA-N 1 1 307.350 1.691 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245901333 408094565 /nfs/dbraw/zinc/09/45/65/408094565.db2.gz LFMJRECRFNCDEQ-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245901333 408094569 /nfs/dbraw/zinc/09/45/69/408094569.db2.gz LFMJRECRFNCDEQ-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000263753852 408241181 /nfs/dbraw/zinc/24/11/81/408241181.db2.gz TUDJXGSXHTVBLE-ZDUSSCGKSA-N 1 1 321.381 1.344 20 5 DDBDMO COc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000156510268 408258004 /nfs/dbraw/zinc/25/80/04/408258004.db2.gz GMCWEYNDONKYFD-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO Cn1cc[nH+]c1Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000150924678 408226177 /nfs/dbraw/zinc/22/61/77/408226177.db2.gz QBNUZVJBJDQDDH-UHFFFAOYSA-N 1 1 313.111 1.301 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269350269 408279030 /nfs/dbraw/zinc/27/90/30/408279030.db2.gz GHJDKIJYEOLNSI-SNVBAGLBSA-N 1 1 309.370 1.513 20 5 DDBDMO CNC(=O)c1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176198198 408307015 /nfs/dbraw/zinc/30/70/15/408307015.db2.gz ZGZJEWSEDWZBGY-UHFFFAOYSA-N 1 1 317.349 1.283 20 5 DDBDMO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000263988119 408335653 /nfs/dbraw/zinc/33/56/53/408335653.db2.gz ISQZDEUCICLLOI-UHFFFAOYSA-N 1 1 321.337 1.654 20 5 DDBDMO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000263988119 408335660 /nfs/dbraw/zinc/33/56/60/408335660.db2.gz ISQZDEUCICLLOI-UHFFFAOYSA-N 1 1 321.337 1.654 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246819642 408347501 /nfs/dbraw/zinc/34/75/01/408347501.db2.gz RHBTUNGJJKYYNF-SWLSCSKDSA-N 1 1 305.378 1.936 20 5 DDBDMO CC[N@@H+]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000159601938 408419501 /nfs/dbraw/zinc/41/95/01/408419501.db2.gz XQOWJZBMTRSXLE-UHFFFAOYSA-N 1 1 322.350 1.405 20 5 DDBDMO CC[N@H+]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000159601938 408419504 /nfs/dbraw/zinc/41/95/04/408419504.db2.gz XQOWJZBMTRSXLE-UHFFFAOYSA-N 1 1 322.350 1.405 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177208296 408552377 /nfs/dbraw/zinc/55/23/77/408552377.db2.gz XBIIPUCODXXVPU-VIFPVBQESA-N 1 1 306.322 1.550 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000274986676 408575719 /nfs/dbraw/zinc/57/57/19/408575719.db2.gz CPTWDUAJOKNQAM-VIFPVBQESA-N 1 1 300.746 1.146 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249527349 408736911 /nfs/dbraw/zinc/73/69/11/408736911.db2.gz AGGVRCOBRWMDOF-YRGRVCCFSA-N 1 1 310.350 1.037 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000185238621 408785946 /nfs/dbraw/zinc/78/59/46/408785946.db2.gz DAOMRIZYNDSUCS-UHFFFAOYSA-N 1 1 319.408 1.371 20 5 DDBDMO CNC(=O)NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178002687 408755161 /nfs/dbraw/zinc/75/51/61/408755161.db2.gz ANDFIXXERQYYTJ-UHFFFAOYSA-N 1 1 320.349 1.405 20 5 DDBDMO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276064260 408764827 /nfs/dbraw/zinc/76/48/27/408764827.db2.gz LGVOVJUPBKKOKF-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185186719 408775984 /nfs/dbraw/zinc/77/59/84/408775984.db2.gz OEFRDLYVSZPJEM-HNNXBMFYSA-N 1 1 308.334 1.465 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000185186719 408775989 /nfs/dbraw/zinc/77/59/89/408775989.db2.gz OEFRDLYVSZPJEM-HNNXBMFYSA-N 1 1 308.334 1.465 20 5 DDBDMO C[N@@H+](CCCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276323430 408836240 /nfs/dbraw/zinc/83/62/40/408836240.db2.gz DQJBGZCGXZDLJK-UHFFFAOYSA-N 1 1 313.329 1.767 20 5 DDBDMO NC(=O)c1ccnc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000290986575 408856493 /nfs/dbraw/zinc/85/64/93/408856493.db2.gz SKENCUVPBAIZIN-LLVKDONJSA-N 1 1 319.365 1.518 20 5 DDBDMO CSc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192515870 163224993 /nfs/dbraw/zinc/22/49/93/163224993.db2.gz ZNQGYPXYDHPNNF-TXEJJXNPSA-N 1 1 321.402 1.950 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292123164 408984487 /nfs/dbraw/zinc/98/44/87/408984487.db2.gz KKODWHSZMCCWRK-GFCCVEGCSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292292623 409017874 /nfs/dbraw/zinc/01/78/74/409017874.db2.gz UJHFWJWFSCCEAL-ZDUSSCGKSA-N 1 1 313.379 1.061 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292292623 409017878 /nfs/dbraw/zinc/01/78/78/409017878.db2.gz UJHFWJWFSCCEAL-ZDUSSCGKSA-N 1 1 313.379 1.061 20 5 DDBDMO Cc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000278895393 409108521 /nfs/dbraw/zinc/10/85/21/409108521.db2.gz QETGGLGEJKPQJH-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO Cc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000278895393 409108523 /nfs/dbraw/zinc/10/85/23/409108523.db2.gz QETGGLGEJKPQJH-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000283555317 409175273 /nfs/dbraw/zinc/17/52/73/409175273.db2.gz IGZDDYUOLBCLGI-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983346 409387657 /nfs/dbraw/zinc/38/76/57/409387657.db2.gz GFNYMNOZRHTYML-TVQRCGJNSA-N 1 1 305.338 1.295 20 5 DDBDMO C[C@H]1CN(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000285368109 409414474 /nfs/dbraw/zinc/41/44/74/409414474.db2.gz QSRWUTZASNXTLV-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000296064328 409416748 /nfs/dbraw/zinc/41/67/48/409416748.db2.gz GIXSIFZOVZCAEL-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000296064328 409416753 /nfs/dbraw/zinc/41/67/53/409416753.db2.gz GIXSIFZOVZCAEL-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO Cc1cccc(C(=O)NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290598069 409457701 /nfs/dbraw/zinc/45/77/01/409457701.db2.gz JEELESCZKZYZLY-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1cccc(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290598069 409457705 /nfs/dbraw/zinc/45/77/05/409457705.db2.gz JEELESCZKZYZLY-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000408162483 164247659 /nfs/dbraw/zinc/24/76/59/164247659.db2.gz XAEOYNQTOCJPND-UHFFFAOYSA-N 1 1 307.354 1.362 20 5 DDBDMO CS[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296285328 409491079 /nfs/dbraw/zinc/49/10/79/409491079.db2.gz MYQWMPKSCVSILQ-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO CS[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000296285328 409491083 /nfs/dbraw/zinc/49/10/83/409491083.db2.gz MYQWMPKSCVSILQ-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000356853676 409664813 /nfs/dbraw/zinc/66/48/13/409664813.db2.gz OCQLLPAPJFTRSG-NWDGAFQWSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296869529 409678868 /nfs/dbraw/zinc/67/88/68/409678868.db2.gz VZEFLIVYGVZKDG-NSHDSACASA-N 1 1 319.365 1.628 20 5 DDBDMO C[N@@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000357188547 409930373 /nfs/dbraw/zinc/93/03/73/409930373.db2.gz MOLUAQLHADGXNB-UHFFFAOYSA-N 1 1 321.381 1.765 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000354580875 409950456 /nfs/dbraw/zinc/95/04/56/409950456.db2.gz DCVPVFAROQESSF-RYUDHWBXSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357425040 410033595 /nfs/dbraw/zinc/03/35/95/410033595.db2.gz RNABGSZGIMXGOO-STQMWFEESA-N 1 1 321.377 1.963 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346609480 410035559 /nfs/dbraw/zinc/03/55/59/410035559.db2.gz CZPGRZWINQMHCX-BXUZGUMPSA-N 1 1 308.334 1.857 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922042 410002284 /nfs/dbraw/zinc/00/22/84/410002284.db2.gz UAOJLNKCOJYTTK-SNVBAGLBSA-N 1 1 302.334 1.900 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346636821 410050904 /nfs/dbraw/zinc/05/09/04/410050904.db2.gz HYRLTIBECBWALE-NWDGAFQWSA-N 1 1 308.334 1.857 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389466 410149874 /nfs/dbraw/zinc/14/98/74/410149874.db2.gz CCSAYMMOILPBAN-CVEARBPZSA-N 1 1 305.378 1.890 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339393319 410154957 /nfs/dbraw/zinc/15/49/57/410154957.db2.gz FOCNWHNXAFSCCW-IAGOWNOFSA-N 1 1 319.405 1.932 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000339721820 410417258 /nfs/dbraw/zinc/41/72/58/410417258.db2.gz YPFODDBSGORYJY-MJBXVCDLSA-N 1 1 308.382 1.663 20 5 DDBDMO CN1CC[NH+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298727411 410369947 /nfs/dbraw/zinc/36/99/47/410369947.db2.gz RBBSCFIOMATAAY-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000355341599 410456342 /nfs/dbraw/zinc/45/63/42/410456342.db2.gz WXATXJOQGGJSIK-UHFFFAOYSA-N 1 1 307.354 1.019 20 5 DDBDMO NC(=O)c1ccc(C[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000352031910 410432248 /nfs/dbraw/zinc/43/22/48/410432248.db2.gz ICWRVNDSCOBYCM-GFCCVEGCSA-N 1 1 321.358 1.578 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000347361674 410495106 /nfs/dbraw/zinc/49/51/06/410495106.db2.gz PWMBVKBYKCWAIX-YLBKJLTLSA-N 1 1 304.350 1.741 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000347354525 410492506 /nfs/dbraw/zinc/49/25/06/410492506.db2.gz BRXKZFUUVMRSGX-CUXKMMBLSA-N 1 1 316.361 1.708 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000347354525 410492513 /nfs/dbraw/zinc/49/25/13/410492513.db2.gz BRXKZFUUVMRSGX-CUXKMMBLSA-N 1 1 316.361 1.708 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355500535 410548226 /nfs/dbraw/zinc/54/82/26/410548226.db2.gz DRVDVUKZJLVDLR-ZDUSSCGKSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@H+]1C ZINC000343583804 410551095 /nfs/dbraw/zinc/55/10/95/410551095.db2.gz ZKEAPTRZIIRKNT-ONGXEEELSA-N 1 1 321.333 1.536 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000334042910 410626112 /nfs/dbraw/zinc/62/61/12/410626112.db2.gz ZXBBAYIHMVIKSX-MNOVXSKESA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1c(CNC(=O)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000359538044 410717711 /nfs/dbraw/zinc/71/77/11/410717711.db2.gz AZECNXWTFWNFPC-UHFFFAOYSA-N 1 1 318.377 1.964 20 5 DDBDMO COc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000356003971 410772360 /nfs/dbraw/zinc/77/23/60/410772360.db2.gz QXBJXKCUVIGDMM-LBPRGKRZSA-N 1 1 319.361 1.912 20 5 DDBDMO Cn1nccc1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337459059 410802509 /nfs/dbraw/zinc/80/25/09/410802509.db2.gz JJMXPDTYMYJUPK-UHFFFAOYSA-N 1 1 317.349 1.789 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCNc1cccc(C)[nH+]1 ZINC000359750791 410854395 /nfs/dbraw/zinc/85/43/95/410854395.db2.gz JNNJLPINAPIVBN-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO C[C@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080047 410935504 /nfs/dbraw/zinc/93/55/04/410935504.db2.gz XGQMVQPEAGSVAE-TZMCWYRMSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080047 410935508 /nfs/dbraw/zinc/93/55/08/410935508.db2.gz XGQMVQPEAGSVAE-TZMCWYRMSA-N 1 1 324.377 1.834 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356482082 411050476 /nfs/dbraw/zinc/05/04/76/411050476.db2.gz QMWXPUXZLUVGOZ-UHFFFAOYSA-N 1 1 323.397 1.665 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356442879 411034156 /nfs/dbraw/zinc/03/41/56/411034156.db2.gz DLHZDIHSQJDHJD-GFCCVEGCSA-N 1 1 323.397 1.713 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000134069314 196358642 /nfs/dbraw/zinc/35/86/42/196358642.db2.gz QOCQLCURJKUPPO-NSHDSACASA-N 1 1 311.338 1.155 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000419322456 226113650 /nfs/dbraw/zinc/11/36/50/226113650.db2.gz HKDGQTWFYUWDMQ-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461927 418431819 /nfs/dbraw/zinc/43/18/19/418431819.db2.gz SIWSWKUMUOWVGP-XUWVNRHRSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461927 418431821 /nfs/dbraw/zinc/43/18/21/418431821.db2.gz SIWSWKUMUOWVGP-XUWVNRHRSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461927 418431824 /nfs/dbraw/zinc/43/18/24/418431824.db2.gz SIWSWKUMUOWVGP-XUWVNRHRSA-N 1 1 315.373 1.242 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@H](C)C1 ZINC000360740312 418504682 /nfs/dbraw/zinc/50/46/82/418504682.db2.gz VZUDDLHQLRPBNV-GHMZBOCLSA-N 1 1 309.370 1.131 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191830070 222109947 /nfs/dbraw/zinc/10/99/47/222109947.db2.gz CCIZMBWZRZSUGB-LBPRGKRZSA-N 1 1 323.397 1.615 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000191814903 222110397 /nfs/dbraw/zinc/11/03/97/222110397.db2.gz KYURIMWZMSHPGJ-QWRGUYRKSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1C ZINC000342362614 418627979 /nfs/dbraw/zinc/62/79/79/418627979.db2.gz QRSDBNNVDMDYND-VHSXEESVSA-N 1 1 317.349 2.138 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368230639 418707354 /nfs/dbraw/zinc/70/73/54/418707354.db2.gz DYQZQBXUCHKQSW-TZMCWYRMSA-N 1 1 319.361 1.561 20 5 DDBDMO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000297457807 227194547 /nfs/dbraw/zinc/19/45/47/227194547.db2.gz XALVVPRTDQYMKI-LDYMZIIASA-N 1 1 303.322 1.423 20 5 DDBDMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297536575 227272455 /nfs/dbraw/zinc/27/24/55/227272455.db2.gz PONAQHYUCGVLNS-GFCCVEGCSA-N 1 1 302.338 1.867 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000371688062 418808731 /nfs/dbraw/zinc/80/87/31/418808731.db2.gz CLWUJUQLBRZLQK-UONOGXRCSA-N 1 1 324.377 1.429 20 5 DDBDMO COC1(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCOCC1 ZINC000365426238 418859793 /nfs/dbraw/zinc/85/97/93/418859793.db2.gz UXVYBMISGHFPKG-CYBMUJFWSA-N 1 1 324.381 1.624 20 5 DDBDMO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372839452 418907106 /nfs/dbraw/zinc/90/71/06/418907106.db2.gz OOYWVLVNBPGOQL-LSDHHAIUSA-N 1 1 318.377 1.422 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952403 419382141 /nfs/dbraw/zinc/38/21/41/419382141.db2.gz XWDXCUIEEUJJLA-VXGBXAGGSA-N 1 1 322.361 1.912 20 5 DDBDMO COC(=O)[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411912323 419475353 /nfs/dbraw/zinc/47/53/53/419475353.db2.gz VGKZXMDOVOWJLI-CHWSQXEVSA-N 1 1 321.377 1.692 20 5 DDBDMO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000428460083 419873409 /nfs/dbraw/zinc/87/34/09/419873409.db2.gz FYAIIRXUAMBPQI-KXQLTZBTSA-N 1 1 305.378 1.606 20 5 DDBDMO C[C@]12CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1C2(F)F ZINC000428711731 419919945 /nfs/dbraw/zinc/91/99/45/419919945.db2.gz LWUXKMKWCJRREG-TUAOUCFPSA-N 1 1 316.308 1.129 20 5 DDBDMO CC(C)[C@H]([NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268590 419999260 /nfs/dbraw/zinc/99/92/60/419999260.db2.gz GPSPLAYWGIKICB-BXUZGUMPSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@H](N)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268590 419999266 /nfs/dbraw/zinc/99/92/66/419999266.db2.gz GPSPLAYWGIKICB-BXUZGUMPSA-N 1 1 308.382 1.885 20 5 DDBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000429385349 420009792 /nfs/dbraw/zinc/00/97/92/420009792.db2.gz VKKVSZITFJTDHW-CYBMUJFWSA-N 1 1 307.398 1.598 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288733 420309153 /nfs/dbraw/zinc/30/91/53/420309153.db2.gz DOQBJUWSBCELLG-VHSXEESVSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288733 420309154 /nfs/dbraw/zinc/30/91/54/420309154.db2.gz DOQBJUWSBCELLG-VHSXEESVSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068432 420620428 /nfs/dbraw/zinc/62/04/28/420620428.db2.gz NYJKOKVLTPWQKH-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000454728460 420916691 /nfs/dbraw/zinc/91/66/91/420916691.db2.gz DOEWHNFFURFHCC-NSHDSACASA-N 1 1 321.381 1.493 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487759924 421048410 /nfs/dbraw/zinc/04/84/10/421048410.db2.gz IYHYDCWJWRKVTO-HNNXBMFYSA-N 1 1 302.334 1.043 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456241255 421132499 /nfs/dbraw/zinc/13/24/99/421132499.db2.gz LKMDYOYZMYLASV-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456241255 421132502 /nfs/dbraw/zinc/13/25/02/421132502.db2.gz LKMDYOYZMYLASV-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456224095 421127400 /nfs/dbraw/zinc/12/74/00/421127400.db2.gz LOSSAZNGQBTJER-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456224095 421127404 /nfs/dbraw/zinc/12/74/04/421127404.db2.gz LOSSAZNGQBTJER-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000456375102 421152393 /nfs/dbraw/zinc/15/23/93/421152393.db2.gz JSICMMKFDVJTLI-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000456375102 421152400 /nfs/dbraw/zinc/15/24/00/421152400.db2.gz JSICMMKFDVJTLI-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000523285000 421233341 /nfs/dbraw/zinc/23/33/41/421233341.db2.gz PULOYRUZHBJPOQ-GFCCVEGCSA-N 1 1 323.397 1.373 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000507300162 421427232 /nfs/dbraw/zinc/42/72/32/421427232.db2.gz OIBYYFXMYWCXLU-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1C ZINC000507300162 421427234 /nfs/dbraw/zinc/42/72/34/421427234.db2.gz OIBYYFXMYWCXLU-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000550131558 421513829 /nfs/dbraw/zinc/51/38/29/421513829.db2.gz CYUWLZHLWFFBOS-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548955261 421488749 /nfs/dbraw/zinc/48/87/49/421488749.db2.gz ZACBQHAHPAFBLT-OLZOCXBDSA-N 1 1 315.333 1.493 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757792 421665484 /nfs/dbraw/zinc/66/54/84/421665484.db2.gz IPIDADDNTKXNEM-GHMZBOCLSA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757792 421665487 /nfs/dbraw/zinc/66/54/87/421665487.db2.gz IPIDADDNTKXNEM-GHMZBOCLSA-N 1 1 313.379 1.279 20 5 DDBDMO COc1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577281 421727532 /nfs/dbraw/zinc/72/75/32/421727532.db2.gz JTEHJVNBWYISEM-ZDUSSCGKSA-N 1 1 309.366 1.148 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366853 421747050 /nfs/dbraw/zinc/74/70/50/421747050.db2.gz IUZCQOXOYSTCJD-VXGBXAGGSA-N 1 1 308.382 1.784 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000541857754 421809171 /nfs/dbraw/zinc/80/91/71/421809171.db2.gz XFHDOEKXXZVCRS-LLVKDONJSA-N 1 1 306.366 1.637 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000581894549 422063975 /nfs/dbraw/zinc/06/39/75/422063975.db2.gz WRTQKEZMAAOIMR-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000574782370 422179420 /nfs/dbraw/zinc/17/94/20/422179420.db2.gz DVJOWUYVBRGFAB-GFCCVEGCSA-N 1 1 323.397 1.758 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000575194969 422275330 /nfs/dbraw/zinc/27/53/30/422275330.db2.gz XMOWTHKXZBZQOW-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000575194969 422275335 /nfs/dbraw/zinc/27/53/35/422275335.db2.gz XMOWTHKXZBZQOW-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](C2CCC2)C1 ZINC000344779105 272116680 /nfs/dbraw/zinc/11/66/80/272116680.db2.gz UBHLKWZQEUIXSO-GFCCVEGCSA-N 1 1 320.393 1.880 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000345004407 272154044 /nfs/dbraw/zinc/15/40/44/272154044.db2.gz ANZCOJNAMTWKAZ-SNVBAGLBSA-N 1 1 312.345 1.209 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345308424 272215680 /nfs/dbraw/zinc/21/56/80/272215680.db2.gz WZBOILMMRLHXGD-UWVGGRQHSA-N 1 1 309.370 1.654 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000345962903 272376777 /nfs/dbraw/zinc/37/67/77/272376777.db2.gz PTDVYNBGDNIVOT-GHMZBOCLSA-N 1 1 306.366 1.732 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000273152703 276381227 /nfs/dbraw/zinc/38/12/27/276381227.db2.gz IGQHTGFELDVGAI-QWHCGFSZSA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332238814 280112034 /nfs/dbraw/zinc/11/20/34/280112034.db2.gz UEXCPKNCNOOZAN-RYUDHWBXSA-N 1 1 321.377 1.986 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000354008937 298337874 /nfs/dbraw/zinc/33/78/74/298337874.db2.gz UGRWBFGHVPOLFG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000362660939 300112052 /nfs/dbraw/zinc/11/20/52/300112052.db2.gz BDPFYVDUDBEOEV-GFCCVEGCSA-N 1 1 319.365 1.416 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000362660939 300112054 /nfs/dbraw/zinc/11/20/54/300112054.db2.gz BDPFYVDUDBEOEV-GFCCVEGCSA-N 1 1 319.365 1.416 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931669 300181585 /nfs/dbraw/zinc/18/15/85/300181585.db2.gz RWJLHNYEROKIGY-ABAIWWIYSA-N 1 1 303.362 1.677 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363103382 300211166 /nfs/dbraw/zinc/21/11/66/300211166.db2.gz HVEBEGFFEYNWLO-KGLIPLIRSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363699844 300298290 /nfs/dbraw/zinc/29/82/90/300298290.db2.gz IZHDTXBHLAMCFQ-GFCCVEGCSA-N 1 1 305.334 1.611 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364082713 300342089 /nfs/dbraw/zinc/34/20/89/300342089.db2.gz JVISESNRMSOMRT-QWHCGFSZSA-N 1 1 318.377 1.750 20 5 DDBDMO CCOc1cccc(N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368971676 301114046 /nfs/dbraw/zinc/11/40/46/301114046.db2.gz CUANGJADJZOJGD-CYBMUJFWSA-N 1 1 323.393 1.886 20 5 DDBDMO CCOc1cccc(N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368971678 301114276 /nfs/dbraw/zinc/11/42/76/301114276.db2.gz CUANGJADJZOJGD-ZDUSSCGKSA-N 1 1 323.393 1.886 20 5 DDBDMO COC[C@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369946823 301245103 /nfs/dbraw/zinc/24/51/03/301245103.db2.gz COEHPQJDQYTXPG-ZDUSSCGKSA-N 1 1 309.366 1.505 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377673035 302208950 /nfs/dbraw/zinc/20/89/50/302208950.db2.gz RLMNOGOHGSYJAW-BXUZGUMPSA-N 1 1 305.334 1.042 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000531888911 303264003 /nfs/dbraw/zinc/26/40/03/303264003.db2.gz QHQRBICLPFQLJR-UHFFFAOYSA-N 1 1 306.366 1.984 20 5 DDBDMO Cn1cccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535785537 303352647 /nfs/dbraw/zinc/35/26/47/303352647.db2.gz GJKLNQZUWSOTIG-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609389 303365678 /nfs/dbraw/zinc/36/56/78/303365678.db2.gz ACOKVILHAYUQHL-CQSZACIVSA-N 1 1 319.409 1.596 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367518652 307096254 /nfs/dbraw/zinc/09/62/54/307096254.db2.gz NNYVOGQRNITPNH-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367518652 307096255 /nfs/dbraw/zinc/09/62/55/307096255.db2.gz NNYVOGQRNITPNH-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375970043 307236803 /nfs/dbraw/zinc/23/68/03/307236803.db2.gz SPGZQNRSTVKIGJ-UHFFFAOYSA-N 1 1 316.321 1.035 20 5 DDBDMO C[C@H]1NC(=O)N(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000459464522 307307506 /nfs/dbraw/zinc/30/75/06/307307506.db2.gz NJBXMIHBROHPPU-LLVKDONJSA-N 1 1 320.349 1.009 20 5 DDBDMO Cn1cncc1CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575427243 308277190 /nfs/dbraw/zinc/27/71/90/308277190.db2.gz NQEYIQIAXCMKAV-UHFFFAOYSA-N 1 1 301.350 1.714 20 5 DDBDMO CCc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000581545993 325872808 /nfs/dbraw/zinc/87/28/08/325872808.db2.gz OFUBCQRBZBAVAG-UHFFFAOYSA-N 1 1 313.379 1.092 20 5 DDBDMO CC1(C)C[NH+](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000582310919 326011321 /nfs/dbraw/zinc/01/13/21/326011321.db2.gz XLBITIIRJLAIHG-UHFFFAOYSA-N 1 1 303.362 1.821 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736786 484217291 /nfs/dbraw/zinc/21/72/91/484217291.db2.gz QYWDMGOFQQFENW-JHJVBQTASA-N 1 1 310.350 1.037 20 5 DDBDMO O=C(CC[N@@H+](C1CC1)C1COC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295583356 534392483 /nfs/dbraw/zinc/39/24/83/534392483.db2.gz ZSQRREMHVLTWLE-UHFFFAOYSA-N 1 1 323.324 1.926 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](C2CC2)C1 ZINC000452171276 534424313 /nfs/dbraw/zinc/42/43/13/534424313.db2.gz POLDLVLVTKBHCP-NSHDSACASA-N 1 1 306.366 1.490 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348733 525782541 /nfs/dbraw/zinc/78/25/41/525782541.db2.gz LFEMGIGGICXMBI-SNVBAGLBSA-N 1 1 309.322 1.205 20 5 DDBDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080372 526272048 /nfs/dbraw/zinc/27/20/48/526272048.db2.gz ORWXECISVDMYTJ-TZMCWYRMSA-N 1 1 310.398 1.910 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458182392 528000048 /nfs/dbraw/zinc/00/00/48/528000048.db2.gz DWBJNCARIAEUDQ-LLVKDONJSA-N 1 1 323.397 1.903 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C(C)C ZINC000433746805 528506241 /nfs/dbraw/zinc/50/62/41/528506241.db2.gz IXSQAUUVPNAHJL-UHFFFAOYSA-N 1 1 311.386 1.901 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000068359547 696371493 /nfs/dbraw/zinc/37/14/93/696371493.db2.gz IMGBBWSSOBKCRC-JTQLQIEISA-N 1 1 317.349 1.748 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000177215371 697411120 /nfs/dbraw/zinc/41/11/20/697411120.db2.gz HVKRNRHHHKUJDP-OAHLLOKOSA-N 1 1 318.333 1.787 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954323 700194391 /nfs/dbraw/zinc/19/43/91/700194391.db2.gz MXFDCSDLZMVUJT-LLVKDONJSA-N 1 1 305.338 1.574 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857805 698144122 /nfs/dbraw/zinc/14/41/22/698144122.db2.gz NCGWNULFYVHVQS-SMDDNHRTSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857805 698144125 /nfs/dbraw/zinc/14/41/25/698144125.db2.gz NCGWNULFYVHVQS-SMDDNHRTSA-N 1 1 323.393 1.863 20 5 DDBDMO CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000781961618 698666228 /nfs/dbraw/zinc/66/62/28/698666228.db2.gz CREDUZISZOYTGM-HNNXBMFYSA-N 1 1 323.393 1.017 20 5 DDBDMO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000781961618 698666229 /nfs/dbraw/zinc/66/62/29/698666229.db2.gz CREDUZISZOYTGM-HNNXBMFYSA-N 1 1 323.393 1.017 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000781961618 698666230 /nfs/dbraw/zinc/66/62/30/698666230.db2.gz CREDUZISZOYTGM-HNNXBMFYSA-N 1 1 323.393 1.017 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719001649 699297417 /nfs/dbraw/zinc/29/74/17/699297417.db2.gz PUZXGDLAJXMSIG-LBPRGKRZSA-N 1 1 310.354 1.185 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CN1 ZINC000789767330 699407389 /nfs/dbraw/zinc/40/73/89/699407389.db2.gz IHYQQYABKMQJGI-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000729469403 699479486 /nfs/dbraw/zinc/47/94/86/699479486.db2.gz GINYIKKKAWDNCV-RYUDHWBXSA-N 1 1 319.365 1.764 20 5 DDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000730109471 699501961 /nfs/dbraw/zinc/50/19/61/699501961.db2.gz RVVKMGZAXFXPDF-LBPRGKRZSA-N 1 1 318.381 1.290 20 5 DDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C1CC1 ZINC000732567147 699562908 /nfs/dbraw/zinc/56/29/08/699562908.db2.gz ATGUZDLCPOBJIJ-UHFFFAOYSA-N 1 1 318.377 1.993 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791255958 699617727 /nfs/dbraw/zinc/61/77/27/699617727.db2.gz AWMIERYDCUSQTN-GXTWGEPZSA-N 1 1 322.340 1.435 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739876149 699781863 /nfs/dbraw/zinc/78/18/63/699781863.db2.gz XUKNFWZVRMORQS-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796556222 699938753 /nfs/dbraw/zinc/93/87/53/699938753.db2.gz ODHIYUYCDFVFIL-DAXOMENPSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796556222 699938755 /nfs/dbraw/zinc/93/87/55/699938755.db2.gz ODHIYUYCDFVFIL-DAXOMENPSA-N 1 1 322.361 1.508 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000744349548 699946312 /nfs/dbraw/zinc/94/63/12/699946312.db2.gz KSXNXPVMLBDNDE-LBPRGKRZSA-N 1 1 321.377 1.746 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761077379 700840895 /nfs/dbraw/zinc/84/08/95/700840895.db2.gz RTSBDVIZGKKQQU-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768815888 701205687 /nfs/dbraw/zinc/20/56/87/701205687.db2.gz XOTHTWNSEIUGRQ-QMMMGPOBSA-N 1 1 305.381 1.029 20 5 DDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768815888 701205691 /nfs/dbraw/zinc/20/56/91/701205691.db2.gz XOTHTWNSEIUGRQ-QMMMGPOBSA-N 1 1 305.381 1.029 20 5 DDBDMO COc1cccc(C(=O)OCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000769600249 701250072 /nfs/dbraw/zinc/25/00/72/701250072.db2.gz KIKMHUHBNGUBOE-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000810841890 701859915 /nfs/dbraw/zinc/85/99/15/701859915.db2.gz RCVGLIZQNKHORD-QWRGUYRKSA-N 1 1 308.338 1.595 20 5 DDBDMO CC1(C)CCN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000840057637 701943400 /nfs/dbraw/zinc/94/34/00/701943400.db2.gz BKOZRLLBAPZAOT-UHFFFAOYSA-N 1 1 321.381 1.644 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000812341437 702165125 /nfs/dbraw/zinc/16/51/25/702165125.db2.gz GHQRELWQLBAHEP-MNOVXSKESA-N 1 1 307.325 1.758 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000842047198 702663576 /nfs/dbraw/zinc/66/35/76/702663576.db2.gz MISZGXMZKAQFID-NWDGAFQWSA-N 1 1 319.365 1.134 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843780501 702922790 /nfs/dbraw/zinc/92/27/90/702922790.db2.gz NBDFNFXLEDRWQC-UHFFFAOYSA-N 1 1 306.297 1.977 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846636978 703305983 /nfs/dbraw/zinc/30/59/83/703305983.db2.gz AFPLGTKOLADWOO-LLVKDONJSA-N 1 1 309.341 1.877 20 5 DDBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847175522 703384057 /nfs/dbraw/zinc/38/40/57/703384057.db2.gz COZQWZIHHFRWHH-UPJWGTAASA-N 1 1 315.414 1.436 20 5 DDBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847175522 703384058 /nfs/dbraw/zinc/38/40/58/703384058.db2.gz COZQWZIHHFRWHH-UPJWGTAASA-N 1 1 315.414 1.436 20 5 DDBDMO C[N@@H+]1CC[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582256 703565552 /nfs/dbraw/zinc/56/55/52/703565552.db2.gz JSPHDHUJEPBRDE-VIFPVBQESA-N 1 1 315.276 1.387 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582256 703565555 /nfs/dbraw/zinc/56/55/55/703565555.db2.gz JSPHDHUJEPBRDE-VIFPVBQESA-N 1 1 315.276 1.387 20 5 DDBDMO CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000866700490 706768878 /nfs/dbraw/zinc/76/88/78/706768878.db2.gz YQYZLUJTKWUALF-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000866700490 706768880 /nfs/dbraw/zinc/76/88/80/706768880.db2.gz YQYZLUJTKWUALF-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801141 703854939 /nfs/dbraw/zinc/85/49/39/703854939.db2.gz FGDYLNBIFMJXDH-LCGIIJARSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801141 703854941 /nfs/dbraw/zinc/85/49/41/703854941.db2.gz FGDYLNBIFMJXDH-LCGIIJARSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801141 703854944 /nfs/dbraw/zinc/85/49/44/703854944.db2.gz FGDYLNBIFMJXDH-LCGIIJARSA-N 1 1 317.389 1.536 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852313496 704007461 /nfs/dbraw/zinc/00/74/61/704007461.db2.gz IHIBQZHFUCGHFS-WFASDCNBSA-N 1 1 317.349 1.242 20 5 DDBDMO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000818969309 704037597 /nfs/dbraw/zinc/03/75/97/704037597.db2.gz CPQYEHDJLBDYND-GWCFXTLKSA-N 1 1 317.349 1.517 20 5 DDBDMO CN(C[C@@H]1CCCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870871636 704152127 /nfs/dbraw/zinc/15/21/27/704152127.db2.gz IXGPRTFMIMCAFM-HOCLYGCPSA-N 1 1 321.377 1.796 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCS1 ZINC000870881617 704155932 /nfs/dbraw/zinc/15/59/32/704155932.db2.gz CUIAKVXXBIZNSV-YGRLFVJLSA-N 1 1 309.391 1.733 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)[C@H](C)CO1 ZINC000853798683 704317209 /nfs/dbraw/zinc/31/72/09/704317209.db2.gz HOOZZDBGQIBENK-NXEZZACHSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)[C@H](C)CO1 ZINC000853798683 704317212 /nfs/dbraw/zinc/31/72/12/704317212.db2.gz HOOZZDBGQIBENK-NXEZZACHSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@H]1C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CO1 ZINC000855408681 704483228 /nfs/dbraw/zinc/48/32/28/704483228.db2.gz XLUVLXSAPZJMHP-RYUDHWBXSA-N 1 1 301.387 1.047 20 5 DDBDMO C[C@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CO1 ZINC000855408681 704483229 /nfs/dbraw/zinc/48/32/29/704483229.db2.gz XLUVLXSAPZJMHP-RYUDHWBXSA-N 1 1 301.387 1.047 20 5 DDBDMO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855485762 704487281 /nfs/dbraw/zinc/48/72/81/704487281.db2.gz HDAFOBVEPBZZAU-CABCVRRESA-N 1 1 321.377 1.571 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC000856795794 704539045 /nfs/dbraw/zinc/53/90/45/704539045.db2.gz JZYGBHQKMXLJGP-PWSUYJOCSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC000856795794 704539046 /nfs/dbraw/zinc/53/90/46/704539046.db2.gz JZYGBHQKMXLJGP-PWSUYJOCSA-N 1 1 309.322 1.953 20 5 DDBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880309049 706936623 /nfs/dbraw/zinc/93/66/23/706936623.db2.gz LRBCLHQURMLASF-LLVKDONJSA-N 1 1 322.287 1.753 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874830012 705187861 /nfs/dbraw/zinc/18/78/61/705187861.db2.gz PRIKSHOALVPETQ-RYUDHWBXSA-N 1 1 319.365 1.340 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834926 705192358 /nfs/dbraw/zinc/19/23/58/705192358.db2.gz VSDQGCGDVDSDSB-VXGBXAGGSA-N 1 1 304.350 1.486 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837366 705194108 /nfs/dbraw/zinc/19/41/08/705194108.db2.gz IGUMGLORBWHUKB-QWHCGFSZSA-N 1 1 321.381 1.222 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874845030 705199638 /nfs/dbraw/zinc/19/96/38/705199638.db2.gz FFHMFTMKXKPHGU-ZIAGYGMSSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846914 705201241 /nfs/dbraw/zinc/20/12/41/705201241.db2.gz LNBKUOHJJLRLNO-CABCVRRESA-N 1 1 319.361 1.669 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000893877405 710871106 /nfs/dbraw/zinc/87/11/06/710871106.db2.gz WRCHCWUTQHRLMY-DZGCQCFKSA-N 1 1 318.377 1.483 20 5 DDBDMO CO[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876955681 705937323 /nfs/dbraw/zinc/93/73/23/705937323.db2.gz AMSUYRLCFUEGOZ-GOEBONIOSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827338665 705979764 /nfs/dbraw/zinc/97/97/64/705979764.db2.gz PZSGNMIGLFJPAO-GXTWGEPZSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000877438393 706107399 /nfs/dbraw/zinc/10/73/99/706107399.db2.gz NLMVRBPRUGEUHM-CYBMUJFWSA-N 1 1 307.394 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000877438393 706107405 /nfs/dbraw/zinc/10/74/05/706107405.db2.gz NLMVRBPRUGEUHM-CYBMUJFWSA-N 1 1 307.394 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000877438393 706107411 /nfs/dbraw/zinc/10/74/11/706107411.db2.gz NLMVRBPRUGEUHM-CYBMUJFWSA-N 1 1 307.394 1.710 20 5 DDBDMO Cn1nnnc1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000878201961 706326353 /nfs/dbraw/zinc/32/63/53/706326353.db2.gz KOKRADHJEBSBRR-UHFFFAOYSA-N 1 1 302.338 1.325 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072854 706870985 /nfs/dbraw/zinc/87/09/85/706870985.db2.gz MZCVEZREOHIWAM-UONOGXRCSA-N 1 1 309.341 1.375 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000872725089 707573331 /nfs/dbraw/zinc/57/33/31/707573331.db2.gz ORLJVDWTQBFOKT-SWLSCSKDSA-N 1 1 315.377 1.928 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000882489196 707660376 /nfs/dbraw/zinc/66/03/76/707660376.db2.gz NXXXPUCWELWXRP-JTQLQIEISA-N 1 1 302.334 1.900 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882495371 707665917 /nfs/dbraw/zinc/66/59/17/707665917.db2.gz YHLZDHWDSQPEMX-AWEZNQCLSA-N 1 1 319.361 1.768 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882495371 707665920 /nfs/dbraw/zinc/66/59/20/707665920.db2.gz YHLZDHWDSQPEMX-AWEZNQCLSA-N 1 1 319.361 1.768 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149910 707854823 /nfs/dbraw/zinc/85/48/23/707854823.db2.gz QVFGMSBKQPIDNR-DOMZBBRYSA-N 1 1 321.377 1.476 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3C[C@@]34CCOC4)C2)nc1 ZINC000886067100 708691530 /nfs/dbraw/zinc/69/15/30/708691530.db2.gz HFLYJRLAWYNQBR-XJKCOSOUSA-N 1 1 318.377 1.903 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@]2(C)C1 ZINC000887927995 709167763 /nfs/dbraw/zinc/16/77/63/709167763.db2.gz RDLIHKIITMYVRV-BMIGLBTASA-N 1 1 304.350 1.201 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CCO ZINC000899741444 709185764 /nfs/dbraw/zinc/18/57/64/709185764.db2.gz XXCGPYKPASDRRP-QXMHVHEDSA-N 1 1 307.350 1.038 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888993864 709426177 /nfs/dbraw/zinc/42/61/77/709426177.db2.gz JZDRFHLNTRXIEG-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888993864 709426178 /nfs/dbraw/zinc/42/61/78/709426178.db2.gz JZDRFHLNTRXIEG-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000928434471 713194185 /nfs/dbraw/zinc/19/41/85/713194185.db2.gz DZEZKJQHPJYNKJ-WCBMZHEXSA-N 1 1 307.306 1.146 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928441884 713197483 /nfs/dbraw/zinc/19/74/83/713197483.db2.gz PTMZBRMUWIOEHC-YGRLFVJLSA-N 1 1 316.361 1.827 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928444673 713198775 /nfs/dbraw/zinc/19/87/75/713198775.db2.gz LQNYSNGWTNEZQQ-RYUDHWBXSA-N 1 1 307.350 1.573 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000928555235 713224835 /nfs/dbraw/zinc/22/48/35/713224835.db2.gz MLPHWUVFSQGBII-LLVKDONJSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000928555235 713224837 /nfs/dbraw/zinc/22/48/37/713224837.db2.gz MLPHWUVFSQGBII-LLVKDONJSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000928571269 713233551 /nfs/dbraw/zinc/23/35/51/713233551.db2.gz KPZFJCIUAZOXRP-QMMMGPOBSA-N 1 1 301.705 1.821 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000928571269 713233553 /nfs/dbraw/zinc/23/35/53/713233553.db2.gz KPZFJCIUAZOXRP-QMMMGPOBSA-N 1 1 301.705 1.821 20 5 DDBDMO COc1c(O)ccc(CN(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000894477076 711141005 /nfs/dbraw/zinc/14/10/05/711141005.db2.gz MBABLXOTLDGCID-UHFFFAOYSA-N 1 1 309.366 1.835 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1CO ZINC000894884476 711307882 /nfs/dbraw/zinc/30/78/82/711307882.db2.gz FXIXXUJDFWOVKV-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1CO ZINC000894884476 711307887 /nfs/dbraw/zinc/30/78/87/711307887.db2.gz FXIXXUJDFWOVKV-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CC[C@H](Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000904022655 711365169 /nfs/dbraw/zinc/36/51/69/711365169.db2.gz GRFYHYBHVJVFIP-SNVBAGLBSA-N 1 1 303.322 1.458 20 5 DDBDMO CON(C)C(=O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000895041324 711381683 /nfs/dbraw/zinc/38/16/83/711381683.db2.gz SBGGDKBNVIZHAY-UHFFFAOYSA-N 1 1 319.317 1.964 20 5 DDBDMO C[N@@H+](CCO)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC000895240860 711462050 /nfs/dbraw/zinc/46/20/50/711462050.db2.gz NYFNMZDVSVVXCB-UHFFFAOYSA-N 1 1 324.768 1.554 20 5 DDBDMO Cc1nc(NCC[N@@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895253312 711467478 /nfs/dbraw/zinc/46/74/78/711467478.db2.gz ARBCTCIJJFSVIO-UHFFFAOYSA-N 1 1 308.338 1.159 20 5 DDBDMO Cc1nc(NCC[N@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895253312 711467479 /nfs/dbraw/zinc/46/74/79/711467479.db2.gz ARBCTCIJJFSVIO-UHFFFAOYSA-N 1 1 308.338 1.159 20 5 DDBDMO Cc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895254307 711467932 /nfs/dbraw/zinc/46/79/32/711467932.db2.gz SCXSQBJPCNCEOP-UHFFFAOYSA-N 1 1 307.350 1.764 20 5 DDBDMO Cc1cc(NCC[N@H+]2CCC3(C2)OCCO3)ccc1[N+](=O)[O-] ZINC000895254307 711467934 /nfs/dbraw/zinc/46/79/34/711467934.db2.gz SCXSQBJPCNCEOP-UHFFFAOYSA-N 1 1 307.350 1.764 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000895455596 711516336 /nfs/dbraw/zinc/51/63/36/711516336.db2.gz CFMMLIRKVBKSCM-BONVTDFDSA-N 1 1 310.350 1.759 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000921420070 713765003 /nfs/dbraw/zinc/76/50/03/713765003.db2.gz SOGXMXMXETZVPT-NSHDSACASA-N 1 1 312.757 1.752 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361979 713813829 /nfs/dbraw/zinc/81/38/29/713813829.db2.gz AWGXOEAAVUAMEK-KCPJHIHWSA-N 1 1 303.362 1.766 20 5 DDBDMO Cc1c(C[N@@H+]2CCc3c(=O)[nH]n(C)c3C2)cccc1[N+](=O)[O-] ZINC000931197859 714032343 /nfs/dbraw/zinc/03/23/43/714032343.db2.gz RUYZYACTGUFLIW-UHFFFAOYSA-N 1 1 302.334 1.901 20 5 DDBDMO Cc1c(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)cccc1[N+](=O)[O-] ZINC000931197859 714032344 /nfs/dbraw/zinc/03/23/44/714032344.db2.gz RUYZYACTGUFLIW-UHFFFAOYSA-N 1 1 302.334 1.901 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000931311826 714062647 /nfs/dbraw/zinc/06/26/47/714062647.db2.gz PQEPZGCCPZGLNW-IYBDPMFKSA-N 1 1 320.393 1.030 20 5 DDBDMO O=C1[C@@H](N2CCn3cc[nH+]c32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000931521358 714118512 /nfs/dbraw/zinc/11/85/12/714118512.db2.gz FYSDVCUCKBFHSR-ZDUSSCGKSA-N 1 1 313.317 1.417 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931664233 714154453 /nfs/dbraw/zinc/15/44/53/714154453.db2.gz YJHPXQNTGVOOHD-CQSZACIVSA-N 1 1 321.377 1.996 20 5 DDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000923335927 714319645 /nfs/dbraw/zinc/31/96/45/714319645.db2.gz SGXPIPUFIDIMDB-KGLIPLIRSA-N 1 1 323.393 1.408 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371047 714331541 /nfs/dbraw/zinc/33/15/41/714331541.db2.gz URIYHHQVQCWIBF-JXFSHQFZSA-N 1 1 323.393 1.311 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934252387 714774832 /nfs/dbraw/zinc/77/48/32/714774832.db2.gz MOODQSACGBAKRJ-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934252387 714774835 /nfs/dbraw/zinc/77/48/35/714774835.db2.gz MOODQSACGBAKRJ-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934252387 714774836 /nfs/dbraw/zinc/77/48/36/714774836.db2.gz MOODQSACGBAKRJ-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934255651 714776475 /nfs/dbraw/zinc/77/64/75/714776475.db2.gz UYKMPXXWQJCOLF-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935965028 715140685 /nfs/dbraw/zinc/14/06/85/715140685.db2.gz VYFJGQHJLQXEAC-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO Nc1nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164773961 721291382 /nfs/dbraw/zinc/29/13/82/721291382.db2.gz UURIOTPWKLPOIY-UHFFFAOYSA-N 1 1 303.366 1.494 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610514186 721901649 /nfs/dbraw/zinc/90/16/49/721901649.db2.gz JSCUDUBLNRXPJZ-AWEZNQCLSA-N 1 1 306.366 1.599 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC001022064171 734369067 /nfs/dbraw/zinc/36/90/67/734369067.db2.gz ZGANVFSRBYMGAX-QKPAOTATSA-N 1 1 317.389 1.705 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2C/C=C\Cl ZINC001039583278 735103343 /nfs/dbraw/zinc/10/33/43/735103343.db2.gz KBWCYMQQKSOUMM-NHPWBWSGSA-N 1 1 313.785 1.469 20 5 DDBDMO CCCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936430 742830514 /nfs/dbraw/zinc/83/05/14/742830514.db2.gz HJXBKHRCLUJKDQ-HUUCEWRRSA-N 1 1 305.378 1.510 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001121698906 744859681 /nfs/dbraw/zinc/85/96/81/744859681.db2.gz LUVJVWAONGESML-TUAOUCFPSA-N 1 1 308.386 1.166 20 5 DDBDMO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC1([NH+]2CCCC2)COC1 ZINC001168448034 745064243 /nfs/dbraw/zinc/06/42/43/745064243.db2.gz OMHHWDCQESHQIY-UHFFFAOYSA-N 1 1 317.349 1.748 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000996440914 749574857 /nfs/dbraw/zinc/57/48/57/749574857.db2.gz OUHBOFJCFDFJBO-HUUCEWRRSA-N 1 1 321.421 1.813 20 5 DDBDMO O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530807 751048707 /nfs/dbraw/zinc/04/87/07/751048707.db2.gz SINIVLDOFORJKT-ZIAGYGMSSA-N 1 1 309.410 1.860 20 5 DDBDMO COc1ccccc1C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168994065 762167485 /nfs/dbraw/zinc/16/74/85/762167485.db2.gz OLFLAOADKUUQCA-OLZOCXBDSA-N 1 1 306.362 1.956 20 5 DDBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010276 762178012 /nfs/dbraw/zinc/17/80/12/762178012.db2.gz CCIKQPDPOMNBPE-XEZPLFJOSA-N 1 1 315.373 1.945 20 5 DDBDMO O=C([C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024995 762202584 /nfs/dbraw/zinc/20/25/84/762202584.db2.gz IKACOTZHJRNTKI-ZNMIVQPWSA-N 1 1 309.410 1.909 20 5 DDBDMO CN1CCN(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169026326 762203107 /nfs/dbraw/zinc/20/31/07/762203107.db2.gz KVKJFFNMTGJGMT-ZBFHGGJFSA-N 1 1 310.442 1.144 20 5 DDBDMO O=C1[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025219 762203665 /nfs/dbraw/zinc/20/36/65/762203665.db2.gz YDZUWGPWPFHOBM-BARDWOONSA-N 1 1 307.394 1.232 20 5 DDBDMO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363463 761493159 /nfs/dbraw/zinc/49/31/59/761493159.db2.gz VRTBPFOWQGSUTP-DTZQCDIJSA-N 1 1 317.389 1.645 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CCCCCC2)C1 ZINC001042706168 764374703 /nfs/dbraw/zinc/37/47/03/764374703.db2.gz WIVIUSMPPAPBGC-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001129933625 767052638 /nfs/dbraw/zinc/05/26/38/767052638.db2.gz XYRSOQXDLCWRTH-FPCVCCKLSA-N 1 1 315.373 1.385 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001129933625 767052647 /nfs/dbraw/zinc/05/26/47/767052647.db2.gz XYRSOQXDLCWRTH-FPCVCCKLSA-N 1 1 315.373 1.385 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001129933625 767052656 /nfs/dbraw/zinc/05/26/56/767052656.db2.gz XYRSOQXDLCWRTH-FPCVCCKLSA-N 1 1 315.373 1.385 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101634711 777331264 /nfs/dbraw/zinc/33/12/64/777331264.db2.gz JZBVYWUJAHTMKB-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001175698009 777863948 /nfs/dbraw/zinc/86/39/48/777863948.db2.gz JTDWPXODDKOWED-VIFPVBQESA-N 1 1 308.729 1.751 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001175698009 777863958 /nfs/dbraw/zinc/86/39/58/777863958.db2.gz JTDWPXODDKOWED-VIFPVBQESA-N 1 1 308.729 1.751 20 5 DDBDMO O=C(NCCCCCC[NH2+]Cc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458723 779059078 /nfs/dbraw/zinc/05/90/78/779059078.db2.gz VEBCZMSTIUMIFS-HUUCEWRRSA-N 1 1 320.393 1.513 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178861627 779214428 /nfs/dbraw/zinc/21/44/28/779214428.db2.gz ZTUYTTYAVOLZMJ-CQSZACIVSA-N 1 1 321.377 1.820 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)cccc1C ZINC001267240889 837586546 /nfs/dbraw/zinc/58/65/46/837586546.db2.gz BZVLXLNKVGHBKI-GDBMZVCRSA-N 1 1 319.405 1.907 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1c(C)cccc1C ZINC001267240889 837586555 /nfs/dbraw/zinc/58/65/55/837586555.db2.gz BZVLXLNKVGHBKI-GDBMZVCRSA-N 1 1 319.405 1.907 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1c(C)cccc1C ZINC001267240889 837586560 /nfs/dbraw/zinc/58/65/60/837586560.db2.gz BZVLXLNKVGHBKI-GDBMZVCRSA-N 1 1 319.405 1.907 20 5 DDBDMO Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268544108 840422681 /nfs/dbraw/zinc/42/26/81/840422681.db2.gz ZHGZZWFUYQTLER-SWVJOTTGSA-N 1 1 321.352 1.561 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327212482 861966058 /nfs/dbraw/zinc/96/60/58/861966058.db2.gz IPHQWVKIATVWQW-HUUCEWRRSA-N 1 1 323.368 1.771 20 5 DDBDMO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001327212482 861966070 /nfs/dbraw/zinc/96/60/70/861966070.db2.gz IPHQWVKIATVWQW-HUUCEWRRSA-N 1 1 323.368 1.771 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001327212482 861966076 /nfs/dbraw/zinc/96/60/76/861966076.db2.gz IPHQWVKIATVWQW-HUUCEWRRSA-N 1 1 323.368 1.771 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855046 849612057 /nfs/dbraw/zinc/61/20/57/849612057.db2.gz LHQXWTIHCFXOFB-HTQZYQBOSA-N 1 1 315.761 1.384 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2ccc3cccnc3c2n1 ZINC001156621460 863198679 /nfs/dbraw/zinc/19/86/79/863198679.db2.gz WKNUQHZJGRQSKS-UHFFFAOYSA-N 1 1 302.341 1.907 20 5 DDBDMO CN1CCOC[C@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158707137 864832336 /nfs/dbraw/zinc/83/23/36/864832336.db2.gz IYLLHDKHYJBUSH-MUBLQREKSA-N 1 1 321.381 1.265 20 5 DDBDMO Cc1cccc(N2CCN(c3nc(C)ncc3[N+](=O)[O-])CC2)[nH+]1 ZINC001163660644 868601624 /nfs/dbraw/zinc/60/16/24/868601624.db2.gz TXSKVFLXNWEMNB-UHFFFAOYSA-N 1 1 314.349 1.723 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](CCF)CC1 ZINC001226167402 882242664 /nfs/dbraw/zinc/24/26/64/882242664.db2.gz IUDPIYAYVIZDGR-UHFFFAOYSA-N 1 1 311.313 1.506 20 5 DDBDMO COc1cc(C)nc(N2CCn3c(C)[nH+]cc3C2)c1[N+](=O)[O-] ZINC001165385338 869555950 /nfs/dbraw/zinc/55/59/50/869555950.db2.gz LQOLGQUEXXXAGM-UHFFFAOYSA-N 1 1 303.322 1.832 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001338083764 869791357 /nfs/dbraw/zinc/79/13/57/869791357.db2.gz JKWFCLSDLNHXRD-PWSUYJOCSA-N 1 1 309.370 1.045 20 5 DDBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001319598157 872709859 /nfs/dbraw/zinc/70/98/59/872709859.db2.gz LIXJLXFAWOWLTP-UHFFFAOYSA-N 1 1 307.266 1.260 20 5 DDBDMO Cc1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001348844307 874824013 /nfs/dbraw/zinc/82/40/13/874824013.db2.gz VKRASQWFNKADNG-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C2 ZINC001349940299 875465991 /nfs/dbraw/zinc/46/59/91/875465991.db2.gz YYJKFQGEHANQBD-WFASDCNBSA-N 1 1 322.365 1.641 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C2 ZINC001349940299 875466004 /nfs/dbraw/zinc/46/60/04/875466004.db2.gz YYJKFQGEHANQBD-WFASDCNBSA-N 1 1 322.365 1.641 20 5 DDBDMO CN1C(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001351401422 876231738 /nfs/dbraw/zinc/23/17/38/876231738.db2.gz VKFBOLUBSIDNLW-YPMHNXCESA-N 1 1 315.732 1.617 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001352216036 876649824 /nfs/dbraw/zinc/64/98/24/876649824.db2.gz GNLJMOFSEWSNBC-GFCCVEGCSA-N 1 1 303.362 1.821 20 5 DDBDMO Nc1ncc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001300131227 876970896 /nfs/dbraw/zinc/97/08/96/876970896.db2.gz ODWSCNNCXSVDSC-VXGBXAGGSA-N 1 1 319.365 1.319 20 5 DDBDMO COC(=O)c1c(COC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223296149 880911655 /nfs/dbraw/zinc/91/16/55/880911655.db2.gz YFHAKBRSCWWWCG-GFCCVEGCSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1c(COC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223296149 880911660 /nfs/dbraw/zinc/91/16/60/880911660.db2.gz YFHAKBRSCWWWCG-GFCCVEGCSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)[C@@H](OC[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647076 881042984 /nfs/dbraw/zinc/04/29/84/881042984.db2.gz IXRPVYXXCFOALR-FZMZJTMJSA-N 1 1 324.333 1.156 20 5 DDBDMO COC(=O)[C@@H](OC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647076 881043001 /nfs/dbraw/zinc/04/30/01/881043001.db2.gz IXRPVYXXCFOALR-FZMZJTMJSA-N 1 1 324.333 1.156 20 5 DDBDMO O=[N+]([O-])c1c[nH]cc2nc(OC3CC[NH+](CCF)CC3)nc1-2 ZINC001230230603 884381463 /nfs/dbraw/zinc/38/14/63/884381463.db2.gz WOZCGOZXRZRFEZ-UHFFFAOYSA-N 1 1 309.301 1.679 20 5 DDBDMO C[N@H+](CCCNC(=O)c1cocn1)Cc1csc([N+](=O)[O-])c1 ZINC001235714797 888907368 /nfs/dbraw/zinc/90/73/68/888907368.db2.gz BKXYKMWZWAKSIH-UHFFFAOYSA-N 1 1 324.362 1.896 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cocn1)Cc1csc([N+](=O)[O-])c1 ZINC001235714797 888907379 /nfs/dbraw/zinc/90/73/79/888907379.db2.gz BKXYKMWZWAKSIH-UHFFFAOYSA-N 1 1 324.362 1.896 20 5 DDBDMO [NH3+]C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC(=O)CC1 ZINC001249369318 893945334 /nfs/dbraw/zinc/94/53/34/893945334.db2.gz ZCXMHBJAHURKIV-UHFFFAOYSA-N 1 1 321.268 1.476 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C2COC2)CC1 ZINC001254550939 896498347 /nfs/dbraw/zinc/49/83/47/896498347.db2.gz TUGQMJZMFOMTQD-CYBMUJFWSA-N 1 1 305.378 1.542 20 5 DDBDMO C[N@@H+](C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@H]1CCOC1 ZINC001254604616 896528772 /nfs/dbraw/zinc/52/87/72/896528772.db2.gz WWFNXFGEJQDQEA-JKSUJKDBSA-N 1 1 317.389 1.467 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611169 896533349 /nfs/dbraw/zinc/53/33/49/896533349.db2.gz WPLVLYLUIDFOBV-GJZGRUSLSA-N 1 1 316.357 1.947 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001262725516 900337137 /nfs/dbraw/zinc/33/71/37/900337137.db2.gz YWPUOKDYXNPLGK-PSOPSSQASA-N 1 1 318.377 1.707 20 5 DDBDMO C[N@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985077 901394028 /nfs/dbraw/zinc/39/40/28/901394028.db2.gz LUJKBWIHTWSMBL-PLHDSQEVSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985077 901394036 /nfs/dbraw/zinc/39/40/36/901394036.db2.gz LUJKBWIHTWSMBL-PLHDSQEVSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@H+](C/C=C\c1ccccc1)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985077 901394043 /nfs/dbraw/zinc/39/40/43/901394043.db2.gz LUJKBWIHTWSMBL-PLHDSQEVSA-N 1 1 317.389 1.803 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000249002299 282126021 /nfs/dbraw/zinc/12/60/21/282126021.db2.gz YYGXMRRHQPYISJ-YRGRVCCFSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305756637 231040756 /nfs/dbraw/zinc/04/07/56/231040756.db2.gz CTVDNZOZQZCBST-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305756637 231040758 /nfs/dbraw/zinc/04/07/58/231040758.db2.gz CTVDNZOZQZCBST-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323660 529466489 /nfs/dbraw/zinc/46/64/89/529466489.db2.gz LEVBSTVXRRJKCY-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323660 529466492 /nfs/dbraw/zinc/46/64/92/529466492.db2.gz LEVBSTVXRRJKCY-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323660 529466496 /nfs/dbraw/zinc/46/64/96/529466496.db2.gz LEVBSTVXRRJKCY-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000444323660 529466497 /nfs/dbraw/zinc/46/64/97/529466497.db2.gz LEVBSTVXRRJKCY-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452072221 231290387 /nfs/dbraw/zinc/29/03/87/231290387.db2.gz WIVAFEZXICPFTG-SMDDNHRTSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452363982 231361937 /nfs/dbraw/zinc/36/19/37/231361937.db2.gz ADAOOBYUIQBQFM-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO CO[C@]1(C(F)(F)F)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000614924735 362081178 /nfs/dbraw/zinc/08/11/78/362081178.db2.gz LFCDNRKGILYDDC-LLVKDONJSA-N 1 1 322.287 1.835 20 5 DDBDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000614924735 362081182 /nfs/dbraw/zinc/08/11/82/362081182.db2.gz LFCDNRKGILYDDC-LLVKDONJSA-N 1 1 322.287 1.835 20 5 DDBDMO Cc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488736629 282270856 /nfs/dbraw/zinc/27/08/56/282270856.db2.gz VIZKZPOXXSEUNP-NQBHXWOUSA-N 1 1 307.398 1.803 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451629640 529797863 /nfs/dbraw/zinc/79/78/63/529797863.db2.gz KPBSYVVUHFRNKH-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451629640 529797864 /nfs/dbraw/zinc/79/78/64/529797864.db2.gz KPBSYVVUHFRNKH-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000451629640 529797866 /nfs/dbraw/zinc/79/78/66/529797866.db2.gz KPBSYVVUHFRNKH-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000457169879 529883903 /nfs/dbraw/zinc/88/39/03/529883903.db2.gz PWKNCEJLTVIALB-UHFFFAOYSA-N 1 1 308.338 1.300 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000302250298 529903317 /nfs/dbraw/zinc/90/33/17/529903317.db2.gz MNNBAYIGOCGVND-UHFFFAOYSA-N 1 1 317.349 1.774 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301998368 529949047 /nfs/dbraw/zinc/94/90/47/529949047.db2.gz PIFMNFHDUCOYAZ-LLVKDONJSA-N 1 1 304.354 1.416 20 5 DDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292364632 529995627 /nfs/dbraw/zinc/99/56/27/529995627.db2.gz YFKKZWMUYVJUOW-CYBMUJFWSA-N 1 1 313.379 1.061 20 5 DDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292364632 529995629 /nfs/dbraw/zinc/99/56/29/529995629.db2.gz YFKKZWMUYVJUOW-CYBMUJFWSA-N 1 1 313.379 1.061 20 5 DDBDMO C[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851884 232112030 /nfs/dbraw/zinc/11/20/30/232112030.db2.gz QGAUUEZTJRLKKA-OLZOCXBDSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851884 232112031 /nfs/dbraw/zinc/11/20/31/232112031.db2.gz QGAUUEZTJRLKKA-OLZOCXBDSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272648482 210052657 /nfs/dbraw/zinc/05/26/57/210052657.db2.gz DPXPOFBMXMMLRL-GFCCVEGCSA-N 1 1 319.361 1.740 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000279739388 215105846 /nfs/dbraw/zinc/10/58/46/215105846.db2.gz OOTJFTHMYNRQMO-CQSZACIVSA-N 1 1 323.393 1.626 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279755243 215118888 /nfs/dbraw/zinc/11/88/88/215118888.db2.gz LUQYLYLCXHMVLE-SMDDNHRTSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459514630 233266946 /nfs/dbraw/zinc/26/69/46/233266946.db2.gz ARZHDNHVLVMICZ-OSMZGAPFSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459514630 233266955 /nfs/dbraw/zinc/26/69/55/233266955.db2.gz ARZHDNHVLVMICZ-OSMZGAPFSA-N 1 1 305.334 1.245 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000459552633 233311653 /nfs/dbraw/zinc/31/16/53/233311653.db2.gz WJYHTKYSJCGHOF-UHFFFAOYSA-N 1 1 308.382 1.772 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053267154 352647460 /nfs/dbraw/zinc/64/74/60/352647460.db2.gz NFAHFEVTDZSMTH-UHFFFAOYSA-N 1 1 320.374 1.773 20 5 DDBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000053267154 352647461 /nfs/dbraw/zinc/64/74/61/352647461.db2.gz NFAHFEVTDZSMTH-UHFFFAOYSA-N 1 1 320.374 1.773 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000068433620 353111717 /nfs/dbraw/zinc/11/17/17/353111717.db2.gz OZOPUBBWRUZTAQ-SNVBAGLBSA-N 1 1 320.353 1.057 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068121578 353090098 /nfs/dbraw/zinc/09/00/98/353090098.db2.gz RLWHLALOPASPPU-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000068935550 353137464 /nfs/dbraw/zinc/13/74/64/353137464.db2.gz FJYBTQVBKAIHCV-CYBMUJFWSA-N 1 1 321.377 1.820 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000174590066 198356604 /nfs/dbraw/zinc/35/66/04/198356604.db2.gz LNEYDDZGKZERDH-TZMCWYRMSA-N 1 1 321.377 1.512 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000081290875 353660687 /nfs/dbraw/zinc/66/06/87/353660687.db2.gz XVCXXIHSRXECRV-GFCCVEGCSA-N 1 1 321.381 1.621 20 5 DDBDMO CCc1nn(C)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000091480071 353828302 /nfs/dbraw/zinc/82/83/02/353828302.db2.gz KMAQYRREEBPHQE-SNVBAGLBSA-N 1 1 304.354 1.998 20 5 DDBDMO Cc1cc(N2CCC[N@H+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000092606462 353863348 /nfs/dbraw/zinc/86/33/48/353863348.db2.gz XFZYRSCSQLUAAX-UHFFFAOYSA-N 1 1 320.393 1.504 20 5 DDBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000145109209 354155953 /nfs/dbraw/zinc/15/59/53/354155953.db2.gz IDCDPVSVJIGSOD-UHFFFAOYSA-N 1 1 310.310 1.271 20 5 DDBDMO CC[N@H+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000317558079 354512110 /nfs/dbraw/zinc/51/21/10/354512110.db2.gz MZEAMPRZEAHDFK-NSHDSACASA-N 1 1 307.350 1.912 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000588830029 354940231 /nfs/dbraw/zinc/94/02/31/354940231.db2.gz NGHFSHKNKNGTPM-UHFFFAOYSA-N 1 1 311.386 1.013 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000588830029 354940235 /nfs/dbraw/zinc/94/02/35/354940235.db2.gz NGHFSHKNKNGTPM-UHFFFAOYSA-N 1 1 311.386 1.013 20 5 DDBDMO Cc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864064 354944105 /nfs/dbraw/zinc/94/41/05/354944105.db2.gz ZWTFBWLLUHNZFK-UONOGXRCSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCCOC1 ZINC000589184415 354969843 /nfs/dbraw/zinc/96/98/43/354969843.db2.gz GBKJOEKVWVWFRZ-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCCOC1 ZINC000589184415 354969845 /nfs/dbraw/zinc/96/98/45/354969845.db2.gz GBKJOEKVWVWFRZ-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000589501226 354996758 /nfs/dbraw/zinc/99/67/58/354996758.db2.gz GMMBCECPNNLSRF-DOMZBBRYSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000589513653 354997984 /nfs/dbraw/zinc/99/79/84/354997984.db2.gz MSXGCLICYXPXED-AWEZNQCLSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000589513653 354997986 /nfs/dbraw/zinc/99/79/86/354997986.db2.gz MSXGCLICYXPXED-AWEZNQCLSA-N 1 1 322.361 1.974 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590010573 355040691 /nfs/dbraw/zinc/04/06/91/355040691.db2.gz PDPQJENEMDJWFL-RISCZKNCSA-N 1 1 304.350 1.169 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@H]3[C@H](CO)[C@H]3C1)OCCO2 ZINC000590052956 355044892 /nfs/dbraw/zinc/04/48/92/355044892.db2.gz FIJLFICBYRBCAY-GDNZZTSVSA-N 1 1 306.318 1.036 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@H]3[C@H](CO)[C@H]3C1)OCCO2 ZINC000590052956 355044894 /nfs/dbraw/zinc/04/48/94/355044894.db2.gz FIJLFICBYRBCAY-GDNZZTSVSA-N 1 1 306.318 1.036 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000589836343 355024352 /nfs/dbraw/zinc/02/43/52/355024352.db2.gz AMRCYFFKKBVLJS-SECBINFHSA-N 1 1 313.304 1.626 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590446504 355099590 /nfs/dbraw/zinc/09/95/90/355099590.db2.gz VZFCVKRQXNRXCN-MFKMUULPSA-N 1 1 305.334 1.380 20 5 DDBDMO CCC([NH3+])(CC)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236819374 202025534 /nfs/dbraw/zinc/02/55/34/202025534.db2.gz UOUPNRXNBRELLC-UHFFFAOYSA-N 1 1 305.338 1.718 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590663903 355139674 /nfs/dbraw/zinc/13/96/74/355139674.db2.gz UUNQAOFUJARVLN-PWSUYJOCSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590663903 355139679 /nfs/dbraw/zinc/13/96/79/355139679.db2.gz UUNQAOFUJARVLN-PWSUYJOCSA-N 1 1 308.334 1.569 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000590969161 355226290 /nfs/dbraw/zinc/22/62/90/355226290.db2.gz RZEYIOYMBFCNRZ-ZDUSSCGKSA-N 1 1 307.350 1.136 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000591505414 355322251 /nfs/dbraw/zinc/32/22/51/355322251.db2.gz HWYJHODJVYIEAQ-AWEZNQCLSA-N 1 1 321.377 1.907 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593588729 355935100 /nfs/dbraw/zinc/93/51/00/355935100.db2.gz LXBKQCNUTCIOFL-ABAIWWIYSA-N 1 1 321.352 1.829 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000594056834 356101793 /nfs/dbraw/zinc/10/17/93/356101793.db2.gz ZGVMFTKHHIAXMP-JTQLQIEISA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000594056834 356101798 /nfs/dbraw/zinc/10/17/98/356101798.db2.gz ZGVMFTKHHIAXMP-JTQLQIEISA-N 1 1 308.334 1.807 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594200414 356138290 /nfs/dbraw/zinc/13/82/90/356138290.db2.gz LVXPZTJKPOFQEM-NEPJUHHUSA-N 1 1 321.381 1.383 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418784 356204191 /nfs/dbraw/zinc/20/41/91/356204191.db2.gz LAWMUTVBSARCJC-NWDGAFQWSA-N 1 1 320.349 1.442 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC2(CC2(F)F)C1 ZINC000594570719 356252429 /nfs/dbraw/zinc/25/24/29/356252429.db2.gz YCUJFPDYNZQVTG-JTQLQIEISA-N 1 1 314.288 1.676 20 5 DDBDMO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000595102949 356382824 /nfs/dbraw/zinc/38/28/24/356382824.db2.gz KSLSSVLEDBGOJJ-ZDUSSCGKSA-N 1 1 320.349 1.086 20 5 DDBDMO Cc1noc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595330797 356451633 /nfs/dbraw/zinc/45/16/33/356451633.db2.gz PBBCCGYUZLFZTK-ZDUSSCGKSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595330797 356451638 /nfs/dbraw/zinc/45/16/38/356451638.db2.gz PBBCCGYUZLFZTK-ZDUSSCGKSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480449 356510265 /nfs/dbraw/zinc/51/02/65/356510265.db2.gz KMVALUJLMYWVBN-LLVKDONJSA-N 1 1 324.381 1.576 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595608478 356575873 /nfs/dbraw/zinc/57/58/73/356575873.db2.gz QVHLHURTPITNGN-ZDUSSCGKSA-N 1 1 317.349 1.587 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595751426 356635720 /nfs/dbraw/zinc/63/57/20/356635720.db2.gz QGXHRZNKKRZAFU-MRXNPFEDSA-N 1 1 319.361 1.431 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000595756851 356638268 /nfs/dbraw/zinc/63/82/68/356638268.db2.gz XXSCJCMIZZNOBZ-DGCLKSJQSA-N 1 1 300.334 1.224 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756963 356639085 /nfs/dbraw/zinc/63/90/85/356639085.db2.gz JCBYJSKYENWWON-ZIBATOQPSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756963 356639089 /nfs/dbraw/zinc/63/90/89/356639089.db2.gz JCBYJSKYENWWON-ZIBATOQPSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761677 356642276 /nfs/dbraw/zinc/64/22/76/356642276.db2.gz ZBHXHELHKJDLTN-SWLSCSKDSA-N 1 1 305.334 1.162 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595847558 356676010 /nfs/dbraw/zinc/67/60/10/356676010.db2.gz GWXDRDMSNXIELO-BJHJDKERSA-N 1 1 308.334 1.857 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829516 356667236 /nfs/dbraw/zinc/66/72/36/356667236.db2.gz IGDDJANBBURVBU-STQMWFEESA-N 1 1 319.361 1.526 20 5 DDBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000596209674 356815723 /nfs/dbraw/zinc/81/57/23/356815723.db2.gz BAZICVRZUKBSFR-CQSZACIVSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596214752 356817788 /nfs/dbraw/zinc/81/77/88/356817788.db2.gz KWXWWFWBMVXWLB-UHFFFAOYSA-N 1 1 310.354 1.242 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596214752 356817790 /nfs/dbraw/zinc/81/77/90/356817790.db2.gz KWXWWFWBMVXWLB-UHFFFAOYSA-N 1 1 310.354 1.242 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596336604 356860247 /nfs/dbraw/zinc/86/02/47/356860247.db2.gz QOKRCLBIWHKDKU-SECBINFHSA-N 1 1 307.354 1.373 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000597858577 357361291 /nfs/dbraw/zinc/36/12/91/357361291.db2.gz NOXNVAOGPGTAPD-GFCCVEGCSA-N 1 1 320.393 1.996 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1CO ZINC000598676814 357682108 /nfs/dbraw/zinc/68/21/08/357682108.db2.gz LMTMAKYFQWZUEG-AAEUAGOBSA-N 1 1 322.361 1.816 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599083238 357809654 /nfs/dbraw/zinc/80/96/54/357809654.db2.gz WGOHSFDZLSHTNB-GLQYFDAESA-N 1 1 316.361 1.778 20 5 DDBDMO O=C(CC[N@H+]1CCc2nc[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599424544 357929920 /nfs/dbraw/zinc/92/99/20/357929920.db2.gz WJJMBQMWFREZRB-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571293 357979823 /nfs/dbraw/zinc/97/98/23/357979823.db2.gz BEEBKGXTTIDNMO-UHFFFAOYSA-N 1 1 307.350 1.892 20 5 DDBDMO C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623363 357996408 /nfs/dbraw/zinc/99/64/08/357996408.db2.gz OXUUFODZMDMABX-KOLCDFICSA-N 1 1 304.297 1.272 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180531146 199171831 /nfs/dbraw/zinc/17/18/31/199171831.db2.gz KYMQVRDPRBGTDJ-SNVBAGLBSA-N 1 1 307.354 1.176 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000600474012 358234951 /nfs/dbraw/zinc/23/49/51/358234951.db2.gz WCKNKPKIEPYOEG-NSHDSACASA-N 1 1 307.354 1.075 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600536522 358250441 /nfs/dbraw/zinc/25/04/41/358250441.db2.gz YKIXVSXAOKRTAY-GFCCVEGCSA-N 1 1 307.350 1.008 20 5 DDBDMO CC(C)[C@@H]1CNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600714200 358291808 /nfs/dbraw/zinc/29/18/08/358291808.db2.gz KEBJJMHVRBRURL-HNNXBMFYSA-N 1 1 320.393 1.853 20 5 DDBDMO CC(C)[C@@H]1CNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600714200 358291811 /nfs/dbraw/zinc/29/18/11/358291811.db2.gz KEBJJMHVRBRURL-HNNXBMFYSA-N 1 1 320.393 1.853 20 5 DDBDMO O=C1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCN1C1CC1 ZINC000601126456 358413711 /nfs/dbraw/zinc/41/37/11/358413711.db2.gz ZPAGEZDJMBXVIV-UHFFFAOYSA-N 1 1 312.329 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000601142460 358418452 /nfs/dbraw/zinc/41/84/52/358418452.db2.gz RSQXNDFCECBZKB-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000601142460 358418454 /nfs/dbraw/zinc/41/84/54/358418454.db2.gz RSQXNDFCECBZKB-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO CCN(CCOCCO)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601162408 358427748 /nfs/dbraw/zinc/42/77/48/358427748.db2.gz MVALGAOPZSMLFC-UHFFFAOYSA-N 1 1 305.334 1.978 20 5 DDBDMO CO[C@@]1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472612 359001445 /nfs/dbraw/zinc/00/14/45/359001445.db2.gz JBTCOSOISMCYIR-SWLSCSKDSA-N 1 1 322.365 1.282 20 5 DDBDMO Cn1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484129 359009774 /nfs/dbraw/zinc/00/97/74/359009774.db2.gz HPIFYHOSWNSOLR-IUODEOHRSA-N 1 1 319.409 1.777 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602902694 359282728 /nfs/dbraw/zinc/28/27/28/359282728.db2.gz LDEJKGPWSDAHFX-CMPLNLGQSA-N 1 1 310.354 1.231 20 5 DDBDMO O=[N+]([O-])c1ccn(CCn2cc(C[NH+]3CCCCC3)nn2)n1 ZINC000603219844 359491895 /nfs/dbraw/zinc/49/18/95/359491895.db2.gz UDFBNJCVQDGZTO-UHFFFAOYSA-N 1 1 305.342 1.069 20 5 DDBDMO COC1CC[NH+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000610891451 360565027 /nfs/dbraw/zinc/56/50/27/360565027.db2.gz DRIBKHAGQGNLSJ-UHFFFAOYSA-N 1 1 323.349 1.141 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525909 360747886 /nfs/dbraw/zinc/74/78/86/360747886.db2.gz OEYUTOBLFRHSGM-CYBMUJFWSA-N 1 1 308.382 1.956 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000281357593 216246050 /nfs/dbraw/zinc/24/60/50/216246050.db2.gz ZYHYKALFETVRHJ-OAHLLOKOSA-N 1 1 318.333 1.694 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000281431079 216293680 /nfs/dbraw/zinc/29/36/80/216293680.db2.gz SMIQAPYGFGHROU-NEPJUHHUSA-N 1 1 321.333 1.404 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000613919921 361631679 /nfs/dbraw/zinc/63/16/79/361631679.db2.gz YRUPOGBSJVXKLP-NSHDSACASA-N 1 1 308.382 1.813 20 5 DDBDMO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000613953747 361639821 /nfs/dbraw/zinc/63/98/21/361639821.db2.gz IHUCOUKOIRAJLP-JTQLQIEISA-N 1 1 307.350 1.761 20 5 DDBDMO C[N@@H+](CCCCCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619077266 363887965 /nfs/dbraw/zinc/88/79/65/363887965.db2.gz JSAYNZLHOCRKIP-UHFFFAOYSA-N 1 1 310.350 1.960 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000275248864 212222663 /nfs/dbraw/zinc/22/26/63/212222663.db2.gz PMEJYGOXGDULFZ-UHFFFAOYSA-N 1 1 306.366 1.483 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264661744 204061369 /nfs/dbraw/zinc/06/13/69/204061369.db2.gz TXHGGMAHZGYSTO-GFCCVEGCSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000282496765 217041555 /nfs/dbraw/zinc/04/15/55/217041555.db2.gz NAPSMDDDCFBNAH-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000282650521 217153152 /nfs/dbraw/zinc/15/31/52/217153152.db2.gz LBNDWCRYIXYQJZ-JTQLQIEISA-N 1 1 313.329 1.557 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266231241 205201762 /nfs/dbraw/zinc/20/17/62/205201762.db2.gz JMOIBSAMUURWQI-NSHDSACASA-N 1 1 321.381 1.399 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344523 205282020 /nfs/dbraw/zinc/28/20/20/205282020.db2.gz IROOQQWDJBTCCX-NEPJUHHUSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267660627 206202952 /nfs/dbraw/zinc/20/29/52/206202952.db2.gz ZKFPPDTWCDGLCT-ZIAGYGMSSA-N 1 1 323.393 1.281 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000334103049 249215331 /nfs/dbraw/zinc/21/53/31/249215331.db2.gz IAGMSTNGCWECQK-MNOVXSKESA-N 1 1 307.350 1.816 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268213357 206548050 /nfs/dbraw/zinc/54/80/50/206548050.db2.gz AZOSRUCRJISFRS-JSGCOSHPSA-N 1 1 320.349 1.972 20 5 DDBDMO CCOCCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105830851 194140568 /nfs/dbraw/zinc/14/05/68/194140568.db2.gz HHSFVTQZHSYVPQ-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc([N+](=O)[O-])c1 ZINC000106400705 194208362 /nfs/dbraw/zinc/20/83/62/194208362.db2.gz CKZKYLZSFXGXRQ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+](C)CCN(C)C)n1 ZINC000341063280 251362922 /nfs/dbraw/zinc/36/29/22/251362922.db2.gz CHSRXSFHPUDSKZ-UHFFFAOYSA-N 1 1 309.414 1.902 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCCN(C)CC[NH+](C)C)n1 ZINC000341063280 251362926 /nfs/dbraw/zinc/36/29/26/251362926.db2.gz CHSRXSFHPUDSKZ-UHFFFAOYSA-N 1 1 309.414 1.902 20 5 DDBDMO COc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418996552 532958422 /nfs/dbraw/zinc/95/84/22/532958422.db2.gz FJSNLTQUGGGNER-RYUDHWBXSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1=CC[N@@H+](C)CC1 ZINC000272915914 210304181 /nfs/dbraw/zinc/30/41/81/210304181.db2.gz JWRVJVLPGVHNJX-VIFPVBQESA-N 1 1 322.340 1.696 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352660391 285204966 /nfs/dbraw/zinc/20/49/66/285204966.db2.gz NUEHBPXFQUBLAS-AAEUAGOBSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120690920 195217843 /nfs/dbraw/zinc/21/78/43/195217843.db2.gz HMGIBVXCJZTOJJ-DOMZBBRYSA-N 1 1 321.377 1.772 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295036451 533218657 /nfs/dbraw/zinc/21/86/57/533218657.db2.gz MEHZAOOJSPLJON-HNNXBMFYSA-N 1 1 308.334 1.606 20 5 DDBDMO CSCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000292996637 533581842 /nfs/dbraw/zinc/58/18/42/533581842.db2.gz COZDQZCKWDPBHA-UHFFFAOYSA-N 1 1 309.391 1.716 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070076667 406808062 /nfs/dbraw/zinc/80/80/62/406808062.db2.gz BSMWHTIWZHNMHJ-QWRGUYRKSA-N 1 1 313.379 1.274 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070076738 406808750 /nfs/dbraw/zinc/80/87/50/406808750.db2.gz RUABHDYNFGQKBJ-PHIMTYICSA-N 1 1 313.379 1.274 20 5 DDBDMO CCSCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072900680 406886194 /nfs/dbraw/zinc/88/61/94/406886194.db2.gz OCPWBMFZPPXVSR-AAEUAGOBSA-N 1 1 316.427 1.616 20 5 DDBDMO COC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000076457687 406969173 /nfs/dbraw/zinc/96/91/73/406969173.db2.gz TVYYNHKRJAIBLJ-UHFFFAOYSA-N 1 1 308.334 1.988 20 5 DDBDMO CC[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125327219 407385408 /nfs/dbraw/zinc/38/54/08/407385408.db2.gz FSZXQOYOXCVEAQ-JTQLQIEISA-N 1 1 321.333 1.994 20 5 DDBDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125327219 407385410 /nfs/dbraw/zinc/38/54/10/407385410.db2.gz FSZXQOYOXCVEAQ-JTQLQIEISA-N 1 1 321.333 1.994 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000125692008 407395334 /nfs/dbraw/zinc/39/53/34/407395334.db2.gz JWGRVHQASYQFNV-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000109331389 407397129 /nfs/dbraw/zinc/39/71/29/407397129.db2.gz KBGXLFFRXBIROQ-ZDUSSCGKSA-N 1 1 322.365 1.331 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111315465 407407361 /nfs/dbraw/zinc/40/73/61/407407361.db2.gz GTVVBYHGXQVRIH-ONXXMXGDSA-N 1 1 319.361 1.829 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111315465 407407362 /nfs/dbraw/zinc/40/73/62/407407362.db2.gz GTVVBYHGXQVRIH-ONXXMXGDSA-N 1 1 319.361 1.829 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+](CCC)CC2)c1[N+](=O)[O-] ZINC000127023765 407426152 /nfs/dbraw/zinc/42/61/52/407426152.db2.gz KPDVNHHIYNDPOK-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](CCC)CC2)c1[N+](=O)[O-] ZINC000127023765 407426153 /nfs/dbraw/zinc/42/61/53/407426153.db2.gz KPDVNHHIYNDPOK-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+](CCC)CC2)c1[N+](=O)[O-] ZINC000127023765 407426154 /nfs/dbraw/zinc/42/61/54/407426154.db2.gz KPDVNHHIYNDPOK-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000178516420 407477424 /nfs/dbraw/zinc/47/74/24/407477424.db2.gz LZOHREXSTYSDLU-LLVKDONJSA-N 1 1 310.354 1.455 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000113437909 407502894 /nfs/dbraw/zinc/50/28/94/407502894.db2.gz DKYQLACFAIAUAI-LLVKDONJSA-N 1 1 322.365 1.690 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000112926435 407447684 /nfs/dbraw/zinc/44/76/84/407447684.db2.gz QOQZAUXUDWCZJP-UHFFFAOYSA-N 1 1 317.349 1.462 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266630156 407586727 /nfs/dbraw/zinc/58/67/27/407586727.db2.gz PAELFWUISSJFBJ-UHFFFAOYSA-N 1 1 319.361 1.696 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000265947307 407521679 /nfs/dbraw/zinc/52/16/79/407521679.db2.gz KAYVJKIEIKPNQH-ZYHUDNBSSA-N 1 1 323.397 1.439 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)cc1Cl ZINC000266027496 407527122 /nfs/dbraw/zinc/52/71/22/407527122.db2.gz REABOOZVQWBEJN-UHFFFAOYSA-N 1 1 313.741 1.787 20 5 DDBDMO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266225985 407532975 /nfs/dbraw/zinc/53/29/75/407532975.db2.gz RODHGCRBOYKLJS-CHWSQXEVSA-N 1 1 308.382 1.580 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000178972772 407680996 /nfs/dbraw/zinc/68/09/96/407680996.db2.gz GOOCAEGFULDVGC-VIFPVBQESA-N 1 1 303.322 1.153 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000186801141 407771938 /nfs/dbraw/zinc/77/19/38/407771938.db2.gz CZKDZXAVXXFKRF-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272107408 407777328 /nfs/dbraw/zinc/77/73/28/407777328.db2.gz MUDWPPDSMKLHGD-OLZOCXBDSA-N 1 1 320.393 1.408 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCCC1=O ZINC000171883061 407791389 /nfs/dbraw/zinc/79/13/89/407791389.db2.gz DBACEMRDVFSKKP-ZDUSSCGKSA-N 1 1 307.350 1.010 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCCC1=O ZINC000171883061 407791394 /nfs/dbraw/zinc/79/13/94/407791394.db2.gz DBACEMRDVFSKKP-ZDUSSCGKSA-N 1 1 307.350 1.010 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102273 407890521 /nfs/dbraw/zinc/89/05/21/407890521.db2.gz FTHXKLZLDONKFT-BXUZGUMPSA-N 1 1 318.377 1.877 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262657371 407890683 /nfs/dbraw/zinc/89/06/83/407890683.db2.gz XQHRKXYJUYCACI-ZJUUUORDSA-N 1 1 315.333 1.438 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546657 407974841 /nfs/dbraw/zinc/97/48/41/407974841.db2.gz KEYPDMKEBPEMJK-VXGBXAGGSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546657 407974846 /nfs/dbraw/zinc/97/48/46/407974846.db2.gz KEYPDMKEBPEMJK-VXGBXAGGSA-N 1 1 307.350 1.260 20 5 DDBDMO CC(C)[NH+]1CCC(O)(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000268399604 408026847 /nfs/dbraw/zinc/02/68/47/408026847.db2.gz BLZNXLJPONFVJQ-UHFFFAOYSA-N 1 1 313.423 1.981 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181887717 408050728 /nfs/dbraw/zinc/05/07/28/408050728.db2.gz YFNKIFIVIJIZHR-UHFFFAOYSA-N 1 1 309.322 1.394 20 5 DDBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245452278 407986166 /nfs/dbraw/zinc/98/61/66/407986166.db2.gz QFZOFCAXHORIPK-IAQYHMDHSA-N 1 1 320.349 1.551 20 5 DDBDMO Cc1cccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000189721071 408088372 /nfs/dbraw/zinc/08/83/72/408088372.db2.gz GMGTXXOWIQZLSR-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000182207042 408093014 /nfs/dbraw/zinc/09/30/14/408093014.db2.gz NVWLNCNRYMMPAR-UPJWGTAASA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000182207042 408093023 /nfs/dbraw/zinc/09/30/23/408093023.db2.gz NVWLNCNRYMMPAR-UPJWGTAASA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1CCC[C@@](CNC(=O)c2n[nH]cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137898992 408162741 /nfs/dbraw/zinc/16/27/41/408162741.db2.gz DDEKFQDNLRUUOJ-QMTHXVAHSA-N 1 1 309.370 1.558 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CC(O)C1 ZINC000190199364 408188158 /nfs/dbraw/zinc/18/81/58/408188158.db2.gz MAFLANDALMINAM-UHFFFAOYSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175993617 408258131 /nfs/dbraw/zinc/25/81/31/408258131.db2.gz VXXLQYZGWAYKGB-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000151126182 408262752 /nfs/dbraw/zinc/26/27/52/408262752.db2.gz LFIJQUXASUMZDR-ZDUSSCGKSA-N 1 1 320.393 1.827 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1CO ZINC000263676185 408200741 /nfs/dbraw/zinc/20/07/41/408200741.db2.gz HIAICKZNCACTHS-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246313997 408217543 /nfs/dbraw/zinc/21/75/43/408217543.db2.gz GPYKWJJWLXWZFD-JGGQBBKZSA-N 1 1 324.377 1.570 20 5 DDBDMO CCCCC[N@@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183053894 408315628 /nfs/dbraw/zinc/31/56/28/408315628.db2.gz YHZURUDATMZBTK-CQSZACIVSA-N 1 1 309.366 1.606 20 5 DDBDMO CCCCC[N@H+](CC(N)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183053894 408315634 /nfs/dbraw/zinc/31/56/34/408315634.db2.gz YHZURUDATMZBTK-CQSZACIVSA-N 1 1 309.366 1.606 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182409 408343839 /nfs/dbraw/zinc/34/38/39/408343839.db2.gz UVZJBTZZAIWLEJ-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000191033235 408360525 /nfs/dbraw/zinc/36/05/25/408360525.db2.gz KZBSWRHEDHQTJQ-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264521748 408522940 /nfs/dbraw/zinc/52/29/40/408522940.db2.gz GJCWXUMJWTXKAC-UHFFFAOYSA-N 1 1 320.349 1.384 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270414109 408526654 /nfs/dbraw/zinc/52/66/54/408526654.db2.gz SCHDRSYYDYRGBY-HNNXBMFYSA-N 1 1 320.393 1.921 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247410644 408468850 /nfs/dbraw/zinc/46/88/50/408468850.db2.gz NFQPZUUGNMGDEL-GXTWGEPZSA-N 1 1 305.378 1.936 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248446233 408568893 /nfs/dbraw/zinc/56/88/93/408568893.db2.gz WQRUBPNGLYTCSS-MNOVXSKESA-N 1 1 321.381 1.422 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000270470374 408541601 /nfs/dbraw/zinc/54/16/01/408541601.db2.gz HKMLFYIKCRYTOE-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192517418 408603748 /nfs/dbraw/zinc/60/37/48/408603748.db2.gz KPDCVQDQIMVOPB-PHIMTYICSA-N 1 1 320.305 1.137 20 5 DDBDMO C[C@@H](c1cccnc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680739 408633464 /nfs/dbraw/zinc/63/34/64/408633464.db2.gz UPNOSDPQCLECKZ-FZMZJTMJSA-N 1 1 305.338 1.240 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000251947654 408790703 /nfs/dbraw/zinc/79/07/03/408790703.db2.gz UJNKHPMKFFUXTK-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000251947654 408790706 /nfs/dbraw/zinc/79/07/06/408790706.db2.gz UJNKHPMKFFUXTK-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000249689780 408755198 /nfs/dbraw/zinc/75/51/98/408755198.db2.gz JUPSTYHKGPNNKQ-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265725763 408760514 /nfs/dbraw/zinc/76/05/14/408760514.db2.gz OIZWWRDMJIEMKQ-LBPRGKRZSA-N 1 1 321.381 1.717 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000249860323 408769621 /nfs/dbraw/zinc/76/96/21/408769621.db2.gz QGRODJJMIDXFSI-WDEREUQCSA-N 1 1 322.365 1.546 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000290833420 408841259 /nfs/dbraw/zinc/84/12/59/408841259.db2.gz UXFPDBAXXIBVPH-ZDUSSCGKSA-N 1 1 317.349 1.308 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285742680 408854605 /nfs/dbraw/zinc/85/46/05/408854605.db2.gz LBPORQYPDAGMDM-GXFFZTMASA-N 1 1 319.365 1.407 20 5 DDBDMO COc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286288218 408956833 /nfs/dbraw/zinc/95/68/33/408956833.db2.gz INMOJJBZXSBDOX-TZMCWYRMSA-N 1 1 321.377 1.903 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292144844 408989469 /nfs/dbraw/zinc/98/94/69/408989469.db2.gz MWPWKPACMVZBKP-INIZCTEOSA-N 1 1 318.377 1.561 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000292510047 409034429 /nfs/dbraw/zinc/03/44/29/409034429.db2.gz YAZAOFINFHRENX-LBPRGKRZSA-N 1 1 321.381 1.124 20 5 DDBDMO C[N@@H+](CCCN1C(=O)CNC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282343771 409037723 /nfs/dbraw/zinc/03/77/23/409037723.db2.gz CBELGARFVYXTGV-UHFFFAOYSA-N 1 1 320.349 1.011 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)CC2)c2c(c1)COCO2 ZINC000293299458 409084558 /nfs/dbraw/zinc/08/45/58/409084558.db2.gz WJYKNVDDDKLOFS-AWEZNQCLSA-N 1 1 308.334 1.808 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)CC2)c2c(c1)COCO2 ZINC000293299458 409084559 /nfs/dbraw/zinc/08/45/59/409084559.db2.gz WJYKNVDDDKLOFS-AWEZNQCLSA-N 1 1 308.334 1.808 20 5 DDBDMO Cc1ccnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000283562429 409176356 /nfs/dbraw/zinc/17/63/56/409176356.db2.gz PXRLVNROBBENPX-AWEZNQCLSA-N 1 1 320.393 1.847 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000279764193 409247710 /nfs/dbraw/zinc/24/77/10/409247710.db2.gz RTQWDPGADYSEJR-GFCCVEGCSA-N 1 1 311.357 1.886 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000279764193 409247712 /nfs/dbraw/zinc/24/77/12/409247712.db2.gz RTQWDPGADYSEJR-GFCCVEGCSA-N 1 1 311.357 1.886 20 5 DDBDMO CN(C(=O)C[N@H+](C)CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000295303605 409422272 /nfs/dbraw/zinc/42/22/72/409422272.db2.gz VEISRBNXPSQFKD-UHFFFAOYSA-N 1 1 309.366 1.508 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000295303605 409422276 /nfs/dbraw/zinc/42/22/76/409422276.db2.gz VEISRBNXPSQFKD-UHFFFAOYSA-N 1 1 309.366 1.508 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCNC(=O)CC1 ZINC000295309603 409427076 /nfs/dbraw/zinc/42/70/76/409427076.db2.gz NDKHSRNLNHXCRU-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000317235063 164026758 /nfs/dbraw/zinc/02/67/58/164026758.db2.gz LOVKYIJEMQTMMS-RYUDHWBXSA-N 1 1 304.350 1.534 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000304288112 409594431 /nfs/dbraw/zinc/59/44/31/409594431.db2.gz BHOJTAQHTXCNSL-AWEZNQCLSA-N 1 1 312.370 1.042 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000342533367 409700634 /nfs/dbraw/zinc/70/06/34/409700634.db2.gz JLUVAFJIUVMWAH-NSHDSACASA-N 1 1 311.313 1.184 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342451400 409642171 /nfs/dbraw/zinc/64/21/71/409642171.db2.gz PAVZHJAPORMNHZ-XPTSAGLGSA-N 1 1 304.350 1.511 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296829081 409652574 /nfs/dbraw/zinc/65/25/74/409652574.db2.gz SDDSWQGSJCHJNY-CQSZACIVSA-N 1 1 323.349 1.746 20 5 DDBDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338375370 409948264 /nfs/dbraw/zinc/94/82/64/409948264.db2.gz DNVWEMITDVKVIL-LLVKDONJSA-N 1 1 322.365 1.303 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000332234648 410001251 /nfs/dbraw/zinc/00/12/51/410001251.db2.gz RREYIMXJVPJNDS-NSHDSACASA-N 1 1 314.345 1.919 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000332234648 410001259 /nfs/dbraw/zinc/00/12/59/410001259.db2.gz RREYIMXJVPJNDS-NSHDSACASA-N 1 1 314.345 1.919 20 5 DDBDMO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000339161096 410066213 /nfs/dbraw/zinc/06/62/13/410066213.db2.gz WLAQWQZGWYPUKK-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000339161096 410066219 /nfs/dbraw/zinc/06/62/19/410066219.db2.gz WLAQWQZGWYPUKK-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO COCCOc1cc([N+](=O)[O-])c(-c2nc(C[NH3+])no2)cc1OC ZINC000571402910 304459140 /nfs/dbraw/zinc/45/91/40/304459140.db2.gz LTZGJFIRQQMEPL-UHFFFAOYSA-N 1 1 324.293 1.137 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339624356 410339011 /nfs/dbraw/zinc/33/90/11/410339011.db2.gz ZRQMWHDQKVXXOJ-BETUJISGSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000298725045 410367339 /nfs/dbraw/zinc/36/73/39/410367339.db2.gz PPMOUGKLHKHUBF-AOOOYVTPSA-N 1 1 324.385 1.267 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000298725045 410367345 /nfs/dbraw/zinc/36/73/45/410367345.db2.gz PPMOUGKLHKHUBF-AOOOYVTPSA-N 1 1 324.385 1.267 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CO)n2)cc1 ZINC000298772493 410392061 /nfs/dbraw/zinc/39/20/61/410392061.db2.gz TYZAYDRYTFZHSY-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CO)n2)cc1 ZINC000298772493 410392068 /nfs/dbraw/zinc/39/20/68/410392068.db2.gz TYZAYDRYTFZHSY-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H](O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339780962 410453839 /nfs/dbraw/zinc/45/38/39/410453839.db2.gz SYBZWVHBRCFLHM-CQSZACIVSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301446665 410723430 /nfs/dbraw/zinc/72/34/30/410723430.db2.gz RHXRAEZGTPOTBA-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353058225 410761999 /nfs/dbraw/zinc/76/19/99/410761999.db2.gz RNEJDRRBABUGIW-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000330553634 410772647 /nfs/dbraw/zinc/77/26/47/410772647.db2.gz CTZBMIFKUOKCGS-QWRGUYRKSA-N 1 1 309.370 1.131 20 5 DDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301717970 410781628 /nfs/dbraw/zinc/78/16/28/410781628.db2.gz OKRQQLNXNWEZQX-JTQLQIEISA-N 1 1 317.353 1.160 20 5 DDBDMO Cc1nn(CCC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605530 410822373 /nfs/dbraw/zinc/82/23/73/410822373.db2.gz ZDVYNUWHKZJQQQ-GHMZBOCLSA-N 1 1 323.397 1.349 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330675600 410869618 /nfs/dbraw/zinc/86/96/18/410869618.db2.gz SHEYVHVRYBCDAE-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330602655 410818794 /nfs/dbraw/zinc/81/87/94/410818794.db2.gz WUJUJFGIEFRVGN-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330602655 410818801 /nfs/dbraw/zinc/81/88/01/410818801.db2.gz WUJUJFGIEFRVGN-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO Cn1c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000356300142 410954773 /nfs/dbraw/zinc/95/47/73/410954773.db2.gz OERNBOUUNRRSMO-OAHLLOKOSA-N 1 1 306.366 1.491 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000356466632 411045880 /nfs/dbraw/zinc/04/58/80/411045880.db2.gz YAEFJMJWABGLCA-SNVBAGLBSA-N 1 1 307.354 1.075 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(F)c1 ZINC000344296287 411078138 /nfs/dbraw/zinc/07/81/38/411078138.db2.gz BCUIWLHTZVHIGJ-LBPRGKRZSA-N 1 1 316.354 1.791 20 5 DDBDMO O=C(NC[C@@H]1CCC[NH2+]C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129818677 196078280 /nfs/dbraw/zinc/07/82/80/196078280.db2.gz DISBGAHEELPXIK-SECBINFHSA-N 1 1 303.322 1.201 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCOCC1 ZINC000134145179 196365387 /nfs/dbraw/zinc/36/53/87/196365387.db2.gz UREMLSZTOBABCJ-SNVBAGLBSA-N 1 1 313.379 1.354 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296675265 226111481 /nfs/dbraw/zinc/11/14/81/226111481.db2.gz KYTPRWQRCUOPHI-CQSZACIVSA-N 1 1 307.350 1.910 20 5 DDBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419334998 226122018 /nfs/dbraw/zinc/12/20/18/226122018.db2.gz VYAZMLAXPPUEJS-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000421866904 226795438 /nfs/dbraw/zinc/79/54/38/226795438.db2.gz FGKKSRCSAMPTOK-CYBMUJFWSA-N 1 1 321.377 1.350 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366620230 418498147 /nfs/dbraw/zinc/49/81/47/418498147.db2.gz NXVAFYGHGHVXFW-GFCCVEGCSA-N 1 1 307.398 1.777 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188302398 222010461 /nfs/dbraw/zinc/01/04/61/222010461.db2.gz KKMWWQPWJMKGPQ-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188302398 222010464 /nfs/dbraw/zinc/01/04/64/222010464.db2.gz KKMWWQPWJMKGPQ-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@@H]21 ZINC000375050722 418595857 /nfs/dbraw/zinc/59/58/57/418595857.db2.gz SFDVBJDHPQAUOU-SKDRFNHKSA-N 1 1 303.322 1.661 20 5 DDBDMO Cc1ccncc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000361423812 418650099 /nfs/dbraw/zinc/65/00/99/418650099.db2.gz WLXHAHXLEVBDOG-UHFFFAOYSA-N 1 1 302.334 1.592 20 5 DDBDMO CO[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371880 418638928 /nfs/dbraw/zinc/63/89/28/418638928.db2.gz JEAOLWLJVZJYHA-KGLIPLIRSA-N 1 1 305.334 1.421 20 5 DDBDMO CO[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371880 418638930 /nfs/dbraw/zinc/63/89/30/418638930.db2.gz JEAOLWLJVZJYHA-KGLIPLIRSA-N 1 1 305.334 1.421 20 5 DDBDMO C[C@](O)(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614009 418662273 /nfs/dbraw/zinc/66/22/73/418662273.db2.gz SXPBEALEFKPULM-KOLCDFICSA-N 1 1 322.287 1.742 20 5 DDBDMO C[C@](O)(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614009 418662274 /nfs/dbraw/zinc/66/22/74/418662274.db2.gz SXPBEALEFKPULM-KOLCDFICSA-N 1 1 322.287 1.742 20 5 DDBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541722 418673810 /nfs/dbraw/zinc/67/38/10/418673810.db2.gz SBZNMBKUDJMXJB-JSGCOSHPSA-N 1 1 310.398 1.910 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361586103 418686907 /nfs/dbraw/zinc/68/69/07/418686907.db2.gz LCDRNXUQOOIHQK-BXUZGUMPSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361586103 418686908 /nfs/dbraw/zinc/68/69/08/418686908.db2.gz LCDRNXUQOOIHQK-BXUZGUMPSA-N 1 1 310.350 1.575 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000365264493 418847618 /nfs/dbraw/zinc/84/76/18/418847618.db2.gz GIRSQDFDRBKWDR-IUODEOHRSA-N 1 1 316.361 1.714 20 5 DDBDMO Cc1c(CC(=O)N(C)C[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421711536 419697033 /nfs/dbraw/zinc/69/70/33/419697033.db2.gz OPCJFYNAAXPLTL-CQSZACIVSA-N 1 1 305.378 1.998 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCSC1 ZINC000433195555 229171929 /nfs/dbraw/zinc/17/19/29/229171929.db2.gz WINCLHJXUMMCDX-LBPRGKRZSA-N 1 1 314.411 1.635 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH3+])CC1 ZINC000430637622 420166697 /nfs/dbraw/zinc/16/66/97/420166697.db2.gz CYXMNZIROODUMW-UHFFFAOYSA-N 1 1 306.366 1.655 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416495276 420395241 /nfs/dbraw/zinc/39/52/41/420395241.db2.gz LCUXQAOCDYPOSI-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000457075841 420603049 /nfs/dbraw/zinc/60/30/49/420603049.db2.gz NQYDHJLXXSLILE-UHFFFAOYSA-N 1 1 309.370 1.172 20 5 DDBDMO CNc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457084948 420605268 /nfs/dbraw/zinc/60/52/68/420605268.db2.gz GYXWGXZXRRVXAJ-LLVKDONJSA-N 1 1 321.381 1.586 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000452067396 420620523 /nfs/dbraw/zinc/62/05/23/420620523.db2.gz MHNDMTOVROIHGC-WXHSDQCUSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000452067396 420620527 /nfs/dbraw/zinc/62/05/27/420620527.db2.gz MHNDMTOVROIHGC-WXHSDQCUSA-N 1 1 321.377 1.933 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000452978657 420693998 /nfs/dbraw/zinc/69/39/98/420693998.db2.gz SIHHIHYDDRIASG-GXFFZTMASA-N 1 1 304.350 1.413 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456007488 421088542 /nfs/dbraw/zinc/08/85/42/421088542.db2.gz DFDXNKVKXWDYFQ-NXEZZACHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456007488 421088545 /nfs/dbraw/zinc/08/85/45/421088545.db2.gz DFDXNKVKXWDYFQ-NXEZZACHSA-N 1 1 307.354 1.196 20 5 DDBDMO COCCC[N@@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488096190 421068898 /nfs/dbraw/zinc/06/88/98/421068898.db2.gz KTGJKNFGXNPXJH-UHFFFAOYSA-N 1 1 318.377 1.945 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455906633 421075588 /nfs/dbraw/zinc/07/55/88/421075588.db2.gz GLAYHKVWDQNKHC-ZYHUDNBSSA-N 1 1 321.381 1.490 20 5 DDBDMO O=[N+]([O-])c1c(N[C@@H]2CCn3cc[nH+]c3C2)nc2sccn21 ZINC000489875584 421177861 /nfs/dbraw/zinc/17/78/61/421177861.db2.gz OMXHENAGDCYHPV-MRVPVSSYSA-N 1 1 304.335 1.927 20 5 DDBDMO O=C1CC[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000450481986 421202615 /nfs/dbraw/zinc/20/26/15/421202615.db2.gz FZLXJNBOWSGJTQ-LBPRGKRZSA-N 1 1 303.362 1.869 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000524122885 421254732 /nfs/dbraw/zinc/25/47/32/421254732.db2.gz YMFROJOOOPIJEA-UHFFFAOYSA-N 1 1 308.386 1.524 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@@H+](C)CCCOC)cc1[N+](=O)[O-] ZINC000525092898 421277843 /nfs/dbraw/zinc/27/78/43/421277843.db2.gz LMAQDNKWXPEOCO-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000546103886 421285513 /nfs/dbraw/zinc/28/55/13/421285513.db2.gz BBMPGVLNBVVJCG-OAHLLOKOSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785425 421625649 /nfs/dbraw/zinc/62/56/49/421625649.db2.gz ZEFLTRVISQPIRV-HUBLWGQQSA-N 1 1 318.377 1.792 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000535958029 421715403 /nfs/dbraw/zinc/71/54/03/421715403.db2.gz ASLFZNNVNBLOEY-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000535958029 421715406 /nfs/dbraw/zinc/71/54/06/421715406.db2.gz ASLFZNNVNBLOEY-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000521114075 421773797 /nfs/dbraw/zinc/77/37/97/421773797.db2.gz RAXKJPYPMKFHGU-SNVBAGLBSA-N 1 1 321.333 1.048 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000572979505 421890847 /nfs/dbraw/zinc/89/08/47/421890847.db2.gz NYEIGBNGKYVFNS-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000583034436 422158077 /nfs/dbraw/zinc/15/80/77/422158077.db2.gz PXGFYAPSGWAFCG-SNVBAGLBSA-N 1 1 309.370 1.422 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596305779 422374118 /nfs/dbraw/zinc/37/41/18/422374118.db2.gz AIOGMCZJIJTZIU-JTQLQIEISA-N 1 1 304.354 1.922 20 5 DDBDMO CC(C)([NH2+]CC(=O)Nc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000590019595 422318176 /nfs/dbraw/zinc/31/81/76/422318176.db2.gz RUJFMSYSRNFMIG-UHFFFAOYSA-N 1 1 304.306 2.046 20 5 DDBDMO COC(=O)c1ccnc(NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000598631289 422397639 /nfs/dbraw/zinc/39/76/39/422397639.db2.gz PYKONVKGLVTPQH-UHFFFAOYSA-N 1 1 324.381 2.166 20 5 DDBDMO Nc1nccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469291 422411210 /nfs/dbraw/zinc/41/12/10/422411210.db2.gz JCDYSLYCGFVORQ-LLVKDONJSA-N 1 1 319.365 1.319 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179707904 263362414 /nfs/dbraw/zinc/36/24/14/263362414.db2.gz RSFUGUNRKRMGOE-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO COCC[N@@H+](C)CCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341553975 271115929 /nfs/dbraw/zinc/11/59/29/271115929.db2.gz WGPARCPMZZGJGY-UHFFFAOYSA-N 1 1 310.354 1.074 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343419307 271767863 /nfs/dbraw/zinc/76/78/63/271767863.db2.gz PUYOFKRRPRNWSZ-NSHDSACASA-N 1 1 313.304 1.798 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409786 272017925 /nfs/dbraw/zinc/01/79/25/272017925.db2.gz AMZHUCPXHGRYQC-OAHLLOKOSA-N 1 1 319.409 1.596 20 5 DDBDMO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000286754033 274363979 /nfs/dbraw/zinc/36/39/79/274363979.db2.gz RWGJHBQEBSEEEN-LLVKDONJSA-N 1 1 308.382 1.458 20 5 DDBDMO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000339078079 274933960 /nfs/dbraw/zinc/93/39/60/274933960.db2.gz HBIYCMSZOZKQGO-UHFFFAOYSA-N 1 1 303.240 1.721 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000285742674 275011154 /nfs/dbraw/zinc/01/11/54/275011154.db2.gz LBPORQYPDAGMDM-GWCFXTLKSA-N 1 1 319.365 1.407 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349355 276205854 /nfs/dbraw/zinc/20/58/54/276205854.db2.gz IOJGJPVYXVTRLG-OAHLLOKOSA-N 1 1 319.361 1.200 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349355 276205856 /nfs/dbraw/zinc/20/58/56/276205856.db2.gz IOJGJPVYXVTRLG-OAHLLOKOSA-N 1 1 319.361 1.200 20 5 DDBDMO C[C@@H]1CC[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000298036792 278581679 /nfs/dbraw/zinc/58/16/79/278581679.db2.gz GVJWYPUQRMXLDV-OLZOCXBDSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+](C)C1CC1 ZINC000181465874 279345299 /nfs/dbraw/zinc/34/52/99/279345299.db2.gz SGSCRUKHOVTNPE-SECBINFHSA-N 1 1 321.333 1.536 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c(N)c([N+](=O)[O-])c1 ZINC000295309543 280331685 /nfs/dbraw/zinc/33/16/85/280331685.db2.gz VWFOYMMVOZTOJT-AWEZNQCLSA-N 1 1 310.329 1.259 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000119761072 281107266 /nfs/dbraw/zinc/10/72/66/281107266.db2.gz IJGUEVVRGBLXIS-UHFFFAOYSA-N 1 1 303.362 1.964 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000408361178 297020318 /nfs/dbraw/zinc/02/03/18/297020318.db2.gz CWTZINGHSUPRHL-XQQFMLRXSA-N 1 1 323.397 1.406 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000408361178 297020319 /nfs/dbraw/zinc/02/03/19/297020319.db2.gz CWTZINGHSUPRHL-XQQFMLRXSA-N 1 1 323.397 1.406 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@@H](C)C1 ZINC000362153846 300017843 /nfs/dbraw/zinc/01/78/43/300017843.db2.gz GIWMKFKJKPWSKO-KGLIPLIRSA-N 1 1 323.393 1.894 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931672 300181448 /nfs/dbraw/zinc/18/14/48/300181448.db2.gz RWJLHNYEROKIGY-XHDPSFHLSA-N 1 1 303.362 1.677 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000362972743 300191365 /nfs/dbraw/zinc/19/13/65/300191365.db2.gz ANUWQWHOPWDAFT-QPSCCSFWSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000362972743 300191367 /nfs/dbraw/zinc/19/13/67/300191367.db2.gz ANUWQWHOPWDAFT-QPSCCSFWSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000362972743 300191369 /nfs/dbraw/zinc/19/13/69/300191369.db2.gz ANUWQWHOPWDAFT-QPSCCSFWSA-N 1 1 309.410 1.765 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000363586830 300284170 /nfs/dbraw/zinc/28/41/70/300284170.db2.gz OEAJLZCCUASWFA-UHFFFAOYSA-N 1 1 321.381 1.163 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000368440216 301028338 /nfs/dbraw/zinc/02/83/38/301028338.db2.gz BCPRAQLQHRHTJP-NSHDSACASA-N 1 1 307.306 1.971 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368823389 301093053 /nfs/dbraw/zinc/09/30/53/301093053.db2.gz IJVUKGLMHYOHMZ-HNNXBMFYSA-N 1 1 321.377 1.510 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368823389 301093055 /nfs/dbraw/zinc/09/30/55/301093055.db2.gz IJVUKGLMHYOHMZ-HNNXBMFYSA-N 1 1 321.377 1.510 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369144147 301136529 /nfs/dbraw/zinc/13/65/29/301136529.db2.gz OFQGBABHUQSSKC-QWRGUYRKSA-N 1 1 321.381 1.627 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CCNC(=O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000369428707 301185391 /nfs/dbraw/zinc/18/53/91/301185391.db2.gz TWFNLXWQYJKVGR-LLVKDONJSA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCNC(=O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000369428707 301185393 /nfs/dbraw/zinc/18/53/93/301185393.db2.gz TWFNLXWQYJKVGR-LLVKDONJSA-N 1 1 323.349 1.193 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370163936 301286443 /nfs/dbraw/zinc/28/64/43/301286443.db2.gz UURHDVPYWKHEFK-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370163936 301286446 /nfs/dbraw/zinc/28/64/46/301286446.db2.gz UURHDVPYWKHEFK-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000370163936 301286449 /nfs/dbraw/zinc/28/64/49/301286449.db2.gz UURHDVPYWKHEFK-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928224 302122508 /nfs/dbraw/zinc/12/25/08/302122508.db2.gz YXJKCTPKUCRFLJ-BNOWGMLFSA-N 1 1 321.381 1.686 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377655905 302205194 /nfs/dbraw/zinc/20/51/94/302205194.db2.gz RCVKYVSHQWBVNC-CMPLNLGQSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377655905 302205197 /nfs/dbraw/zinc/20/51/97/302205197.db2.gz RCVKYVSHQWBVNC-CMPLNLGQSA-N 1 1 309.753 1.816 20 5 DDBDMO Cc1[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])cn2)c2n1CCCC2 ZINC000378305572 302309944 /nfs/dbraw/zinc/30/99/44/302309944.db2.gz HVHBAVIIEVHRLL-UHFFFAOYSA-N 1 1 315.333 1.761 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000429275611 302387964 /nfs/dbraw/zinc/38/79/64/302387964.db2.gz UZMQXTKHLCOTIQ-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1(CO)CCC1 ZINC000429275611 302387967 /nfs/dbraw/zinc/38/79/67/302387967.db2.gz UZMQXTKHLCOTIQ-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365018709 307056607 /nfs/dbraw/zinc/05/66/07/307056607.db2.gz ORTLMWBXFZELFR-ABAIWWIYSA-N 1 1 318.377 1.485 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655084 307078768 /nfs/dbraw/zinc/07/87/68/307078768.db2.gz PPHGCWNJCJYTCS-KGLIPLIRSA-N 1 1 322.361 1.759 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000367253622 307089797 /nfs/dbraw/zinc/08/97/97/307089797.db2.gz SQYSIDXJDYWSPB-XPTSAGLGSA-N 1 1 322.340 1.482 20 5 DDBDMO CC(C)CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373246982 307182531 /nfs/dbraw/zinc/18/25/31/307182531.db2.gz XUOYEMJFKNWBJL-UHFFFAOYSA-N 1 1 309.370 1.200 20 5 DDBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374052763 307201116 /nfs/dbraw/zinc/20/11/16/307201116.db2.gz FUKWUIALZQAHQX-GFCCVEGCSA-N 1 1 319.369 1.201 20 5 DDBDMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374052763 307201117 /nfs/dbraw/zinc/20/11/17/307201117.db2.gz FUKWUIALZQAHQX-GFCCVEGCSA-N 1 1 319.369 1.201 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377824622 307276345 /nfs/dbraw/zinc/27/63/45/307276345.db2.gz UNSLJPGVCHRREJ-RBGFHDKUSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377824622 307276346 /nfs/dbraw/zinc/27/63/46/307276346.db2.gz UNSLJPGVCHRREJ-RBGFHDKUSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377824622 307276347 /nfs/dbraw/zinc/27/63/47/307276347.db2.gz UNSLJPGVCHRREJ-RBGFHDKUSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377824623 307276446 /nfs/dbraw/zinc/27/64/46/307276446.db2.gz UNSLJPGVCHRREJ-SUJAAXHWSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377824623 307276447 /nfs/dbraw/zinc/27/64/47/307276447.db2.gz UNSLJPGVCHRREJ-SUJAAXHWSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377824623 307276448 /nfs/dbraw/zinc/27/64/48/307276448.db2.gz UNSLJPGVCHRREJ-SUJAAXHWSA-N 1 1 315.373 1.413 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488805475 484219317 /nfs/dbraw/zinc/21/93/17/484219317.db2.gz SUJWOHPLVDOQEA-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000451440159 533825476 /nfs/dbraw/zinc/82/54/76/533825476.db2.gz WLUPKLVHTWRLJT-CYBMUJFWSA-N 1 1 302.277 1.805 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000451440159 533825482 /nfs/dbraw/zinc/82/54/82/533825482.db2.gz WLUPKLVHTWRLJT-CYBMUJFWSA-N 1 1 302.277 1.805 20 5 DDBDMO C[C@]12C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452055514 534189683 /nfs/dbraw/zinc/18/96/83/534189683.db2.gz UMDLCUOOHJWRKQ-UDUPFKKZSA-N 1 1 320.393 1.520 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000191193276 523962290 /nfs/dbraw/zinc/96/22/90/523962290.db2.gz VBDVBOQAUVRPQU-MRVPVSSYSA-N 1 1 316.155 1.471 20 5 DDBDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080370 527699513 /nfs/dbraw/zinc/69/95/13/527699513.db2.gz ORWXECISVDMYTJ-JSGCOSHPSA-N 1 1 310.398 1.910 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330922066 527825785 /nfs/dbraw/zinc/82/57/85/527825785.db2.gz AYAHLIBBVRQIFP-GFCCVEGCSA-N 1 1 323.397 1.327 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1COC1 ZINC000451285671 528399656 /nfs/dbraw/zinc/39/96/56/528399656.db2.gz LVDIQBORBKUJAA-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413054227 529145308 /nfs/dbraw/zinc/14/53/08/529145308.db2.gz MYAWIRHZINWNDB-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736846951 598810078 /nfs/dbraw/zinc/81/00/78/598810078.db2.gz DFFLGBVPQQDTQU-SECBINFHSA-N 1 1 303.326 1.139 20 5 DDBDMO CC(C)[N@@H+](C)CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820112296 607168348 /nfs/dbraw/zinc/16/83/48/607168348.db2.gz QQGRCYCCSBPHLP-UHFFFAOYSA-N 1 1 320.357 1.312 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000177212803 697410822 /nfs/dbraw/zinc/41/08/22/697410822.db2.gz JPSVRABOQQTTFA-OAHLLOKOSA-N 1 1 318.333 1.787 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000178589376 697426671 /nfs/dbraw/zinc/42/66/71/697426671.db2.gz BZQBLWSTBISTGU-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO COCC(=O)N1CCC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985189338 697464934 /nfs/dbraw/zinc/46/49/34/697464934.db2.gz LTOOHDMQCVGPHV-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000776582591 698121431 /nfs/dbraw/zinc/12/14/31/698121431.db2.gz VSHLTWYEIJEWJW-GJZGRUSLSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000776582591 698121437 /nfs/dbraw/zinc/12/14/37/698121437.db2.gz VSHLTWYEIJEWJW-GJZGRUSLSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000776591749 698123825 /nfs/dbraw/zinc/12/38/25/698123825.db2.gz WMRATURRMVCFQH-IIAWOOMASA-N 1 1 306.362 1.987 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596659 698124732 /nfs/dbraw/zinc/12/47/32/698124732.db2.gz HJOGIWSAIQDWNO-LSDHHAIUSA-N 1 1 319.361 1.325 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000800374537 700219057 /nfs/dbraw/zinc/21/90/57/700219057.db2.gz RTVUHMXMGJIIPE-DVOMOZLQSA-N 1 1 323.393 1.015 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000782620088 698752375 /nfs/dbraw/zinc/75/23/75/698752375.db2.gz KLYFJVCRADUSST-XHDPSFHLSA-N 1 1 305.334 1.238 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000786190895 699133063 /nfs/dbraw/zinc/13/30/63/699133063.db2.gz OOXHKPMGVAPKSV-LSDHHAIUSA-N 1 1 310.350 1.366 20 5 DDBDMO Cc1c(C[N@@H+](CCO)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000729930874 699495433 /nfs/dbraw/zinc/49/54/33/699495433.db2.gz ZZVJPZOYIVUEIG-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO Cc1c(C[N@H+](CCO)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000729930874 699495434 /nfs/dbraw/zinc/49/54/34/699495434.db2.gz ZZVJPZOYIVUEIG-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000730109459 699501995 /nfs/dbraw/zinc/50/19/95/699501995.db2.gz RVVKMGZAXFXPDF-GFCCVEGCSA-N 1 1 318.381 1.290 20 5 DDBDMO Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000791258850 699618146 /nfs/dbraw/zinc/61/81/46/699618146.db2.gz LQPJBDUBCAIAIB-DGCLKSJQSA-N 1 1 322.340 1.435 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000742237816 699868625 /nfs/dbraw/zinc/86/86/25/699868625.db2.gz PWVYBDFHSCSTBJ-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000744389879 699947360 /nfs/dbraw/zinc/94/73/60/699947360.db2.gz GQFAJDMJPNWYSX-UHFFFAOYSA-N 1 1 320.353 1.318 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801914237 700352570 /nfs/dbraw/zinc/35/25/70/700352570.db2.gz UVKVENPCZWWDKD-SECBINFHSA-N 1 1 310.329 1.388 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801936495 700357755 /nfs/dbraw/zinc/35/77/55/700357755.db2.gz UQLUYMBZWILDMA-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801936495 700357759 /nfs/dbraw/zinc/35/77/59/700357759.db2.gz UQLUYMBZWILDMA-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802139491 700372548 /nfs/dbraw/zinc/37/25/48/700372548.db2.gz CQNBCHBRSRLAEK-OAHLLOKOSA-N 1 1 322.361 1.790 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336341 700699678 /nfs/dbraw/zinc/69/96/78/700699678.db2.gz PVEFHNWFDPSHDM-ZWNOBZJWSA-N 1 1 318.377 1.698 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804522714 701197486 /nfs/dbraw/zinc/19/74/86/701197486.db2.gz XOBHCCUJBKYPQA-NSHDSACASA-N 1 1 324.337 1.396 20 5 DDBDMO O=C(CC[N@H+]1CCOC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000839533628 701728527 /nfs/dbraw/zinc/72/85/27/701728527.db2.gz WEYQBRBVLJGJKV-CQSZACIVSA-N 1 1 323.349 1.007 20 5 DDBDMO O=C(CC[N@@H+]1CCOC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000839533628 701728528 /nfs/dbraw/zinc/72/85/28/701728528.db2.gz WEYQBRBVLJGJKV-CQSZACIVSA-N 1 1 323.349 1.007 20 5 DDBDMO Cn1ncc2c1CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000839625067 701757594 /nfs/dbraw/zinc/75/75/94/701757594.db2.gz MFZPWDKSWYOQHO-MRXNPFEDSA-N 1 1 316.361 1.810 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000839689177 701785054 /nfs/dbraw/zinc/78/50/54/701785054.db2.gz LEFMFKBVTJFPDQ-SFTQSGBHSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000839689177 701785059 /nfs/dbraw/zinc/78/50/59/701785059.db2.gz LEFMFKBVTJFPDQ-SFTQSGBHSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000839689177 701785062 /nfs/dbraw/zinc/78/50/62/701785062.db2.gz LEFMFKBVTJFPDQ-SFTQSGBHSA-N 1 1 323.418 1.912 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000810841888 701859158 /nfs/dbraw/zinc/85/91/58/701859158.db2.gz RCVGLIZQNKHORD-GHMZBOCLSA-N 1 1 308.338 1.595 20 5 DDBDMO CCN(CC(F)F)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867979663 701869532 /nfs/dbraw/zinc/86/95/32/701869532.db2.gz MAXKUASQZVOZHG-CYBMUJFWSA-N 1 1 301.293 1.882 20 5 DDBDMO CC[N@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960130 701878342 /nfs/dbraw/zinc/87/83/42/701878342.db2.gz OYMRSBOHBSLDSC-OAHLLOKOSA-N 1 1 305.334 1.974 20 5 DDBDMO CC[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960130 701878349 /nfs/dbraw/zinc/87/83/49/701878349.db2.gz OYMRSBOHBSLDSC-OAHLLOKOSA-N 1 1 305.334 1.974 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866211895 706650482 /nfs/dbraw/zinc/65/04/82/706650482.db2.gz ABMJLASBRPCAFA-UHFFFAOYSA-N 1 1 322.384 1.950 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842479418 702726065 /nfs/dbraw/zinc/72/60/65/702726065.db2.gz RUPFFHZWFRCOOH-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441828 703032116 /nfs/dbraw/zinc/03/21/16/703032116.db2.gz UJRPJMOVKOXMNE-ZDUSSCGKSA-N 1 1 313.304 1.878 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879574460 706723723 /nfs/dbraw/zinc/72/37/23/706723723.db2.gz AAQVEZOWIHEPMO-UONOGXRCSA-N 1 1 318.377 1.220 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000846291890 703262718 /nfs/dbraw/zinc/26/27/18/703262718.db2.gz VBOLGYMSDJCGFY-UHFFFAOYSA-N 1 1 308.382 1.885 20 5 DDBDMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850431468 703730813 /nfs/dbraw/zinc/73/08/13/703730813.db2.gz DSEFCCRQCQXWGS-JTQLQIEISA-N 1 1 316.379 1.689 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1[N+](=O)[O-] ZINC000852094781 703921756 /nfs/dbraw/zinc/92/17/56/703921756.db2.gz OUWJPJQSZUPNEF-SNVBAGLBSA-N 1 1 310.310 1.165 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1[N+](=O)[O-] ZINC000852094781 703921758 /nfs/dbraw/zinc/92/17/58/703921758.db2.gz OUWJPJQSZUPNEF-SNVBAGLBSA-N 1 1 310.310 1.165 20 5 DDBDMO C[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000818966591 704036538 /nfs/dbraw/zinc/03/65/38/704036538.db2.gz LMSBEZJZEFIANQ-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786401 704131995 /nfs/dbraw/zinc/13/19/95/704131995.db2.gz WHMOJTVPMRIXPL-WDEREUQCSA-N 1 1 310.354 1.748 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CC[NH+]1CCOCC1 ZINC000854510825 704410303 /nfs/dbraw/zinc/41/03/03/704410303.db2.gz MMXVHIBTGNWNNR-UHFFFAOYSA-N 1 1 307.350 1.872 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589490 704423096 /nfs/dbraw/zinc/42/30/96/704423096.db2.gz PZHFXXQHCOXTKK-UHFFFAOYSA-N 1 1 323.324 1.138 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643234 704431679 /nfs/dbraw/zinc/43/16/79/704431679.db2.gz SEOIQYUICYJEOH-OLZOCXBDSA-N 1 1 313.398 1.144 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874827077 705185517 /nfs/dbraw/zinc/18/55/17/705185517.db2.gz AXDOFSOVTYSJAD-UONOGXRCSA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000860588243 705228710 /nfs/dbraw/zinc/22/87/10/705228710.db2.gz DIIOBAORIKARBR-UHFFFAOYSA-N 1 1 300.318 1.997 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993249 705350644 /nfs/dbraw/zinc/35/06/44/705350644.db2.gz BQFYITKEEGOAGK-SNVBAGLBSA-N 1 1 307.354 1.640 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893877408 710870757 /nfs/dbraw/zinc/87/07/57/710870757.db2.gz WRCHCWUTQHRLMY-ZFWWWQNUSA-N 1 1 318.377 1.483 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000825014539 705577173 /nfs/dbraw/zinc/57/71/73/705577173.db2.gz GSDKYRMDNGCOMI-GFCCVEGCSA-N 1 1 307.350 1.008 20 5 DDBDMO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000825648115 705708390 /nfs/dbraw/zinc/70/83/90/705708390.db2.gz LRODMCOXLBGCFL-LBPRGKRZSA-N 1 1 323.418 1.957 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000862725281 705785472 /nfs/dbraw/zinc/78/54/72/705785472.db2.gz XIEMTASGAXGOAJ-CYBMUJFWSA-N 1 1 317.349 1.155 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827216575 705952082 /nfs/dbraw/zinc/95/20/82/705952082.db2.gz ASGRMCVTMMEIEB-PWSUYJOCSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000827339435 705979976 /nfs/dbraw/zinc/97/99/76/705979976.db2.gz TUPMZCUBSQPLLA-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000827499514 706015177 /nfs/dbraw/zinc/01/51/77/706015177.db2.gz GYCMKOLMYRYKLK-CQSZACIVSA-N 1 1 306.366 1.589 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882031319 707472840 /nfs/dbraw/zinc/47/28/40/707472840.db2.gz CYCTVTMVHRZTLT-CYBMUJFWSA-N 1 1 321.377 1.690 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148202 706892899 /nfs/dbraw/zinc/89/28/99/706892899.db2.gz SYCXPVRGVVWPLU-QWHCGFSZSA-N 1 1 324.377 1.427 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837175600 707592108 /nfs/dbraw/zinc/59/21/08/707592108.db2.gz UPPYIFJPUDHEBD-CQSZACIVSA-N 1 1 321.377 1.619 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882957618 707871106 /nfs/dbraw/zinc/87/11/06/707871106.db2.gz HKAOYMRMEVMAMK-ZDUSSCGKSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838285913 707887701 /nfs/dbraw/zinc/88/77/01/707887701.db2.gz PTAKEWZAGFWCOA-AWEZNQCLSA-N 1 1 319.317 1.767 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000838908644 708001381 /nfs/dbraw/zinc/00/13/81/708001381.db2.gz ZHQSMGWBVPWXST-BETUJISGSA-N 1 1 320.345 1.923 20 5 DDBDMO CON1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839132348 708028945 /nfs/dbraw/zinc/02/89/45/708028945.db2.gz ZMPRYHDPQHWBPE-OAHLLOKOSA-N 1 1 309.366 1.586 20 5 DDBDMO COc1cccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)c1 ZINC000839462493 708049268 /nfs/dbraw/zinc/04/92/68/708049268.db2.gz QKNPISCLTQTCHQ-MGPQQGTHSA-N 1 1 307.350 1.079 20 5 DDBDMO CC[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000896715764 708127699 /nfs/dbraw/zinc/12/76/99/708127699.db2.gz XHOJHQIANQZAJO-UHFFFAOYSA-N 1 1 317.292 1.894 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897241649 708266678 /nfs/dbraw/zinc/26/66/78/708266678.db2.gz PDCIICYBFBWPOS-INIZCTEOSA-N 1 1 303.362 1.739 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2ccccc21 ZINC000884541585 708325842 /nfs/dbraw/zinc/32/58/42/708325842.db2.gz ITSUGLXAKCXZSG-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887938930 709173503 /nfs/dbraw/zinc/17/35/03/709173503.db2.gz GYUUFGBCQGVMBU-ABAIWWIYSA-N 1 1 304.350 1.201 20 5 DDBDMO Cc1c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888999174 709428692 /nfs/dbraw/zinc/42/86/92/709428692.db2.gz XGHNZBOJPCSEFF-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1c(C(=O)N2CCN(C)CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888999174 709428694 /nfs/dbraw/zinc/42/86/94/709428694.db2.gz XGHNZBOJPCSEFF-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104021 713132181 /nfs/dbraw/zinc/13/21/81/713132181.db2.gz STCAQWJFTNIOJO-KGLIPLIRSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104021 713132182 /nfs/dbraw/zinc/13/21/82/713132182.db2.gz STCAQWJFTNIOJO-KGLIPLIRSA-N 1 1 321.402 1.904 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910279572 709861258 /nfs/dbraw/zinc/86/12/58/709861258.db2.gz BPCCTTVZPLDKQV-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910279572 709861259 /nfs/dbraw/zinc/86/12/59/709861259.db2.gz BPCCTTVZPLDKQV-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910279572 709861262 /nfs/dbraw/zinc/86/12/62/709861262.db2.gz BPCCTTVZPLDKQV-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000893133769 710559702 /nfs/dbraw/zinc/55/97/02/710559702.db2.gz COJGWQMCISCXIG-ZWNOBZJWSA-N 1 1 321.377 1.881 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000893133769 710559703 /nfs/dbraw/zinc/55/97/03/710559703.db2.gz COJGWQMCISCXIG-ZWNOBZJWSA-N 1 1 321.377 1.881 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913293488 713193510 /nfs/dbraw/zinc/19/35/10/713193510.db2.gz PATJYUHJFIAELW-IYBDPMFKSA-N 1 1 318.377 1.712 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637880 710833106 /nfs/dbraw/zinc/83/31/06/710833106.db2.gz KTQAUNVEMMGILO-TZMCWYRMSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637880 710833109 /nfs/dbraw/zinc/83/31/09/710833109.db2.gz KTQAUNVEMMGILO-TZMCWYRMSA-N 1 1 317.349 1.920 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2n1CCOC2 ZINC000894390631 711099714 /nfs/dbraw/zinc/09/97/14/711099714.db2.gz HICMAHNHTCPDQA-UHFFFAOYSA-N 1 1 316.361 1.996 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894847438 711294483 /nfs/dbraw/zinc/29/44/83/711294483.db2.gz ZRUDHBOLHLHORA-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1CO ZINC000894884182 711307815 /nfs/dbraw/zinc/30/78/15/711307815.db2.gz DJHKHAVFDUQZID-SNVBAGLBSA-N 1 1 317.292 1.309 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1CO ZINC000894884182 711307817 /nfs/dbraw/zinc/30/78/17/711307817.db2.gz DJHKHAVFDUQZID-SNVBAGLBSA-N 1 1 317.292 1.309 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000894907022 711315061 /nfs/dbraw/zinc/31/50/61/711315061.db2.gz GHZWKKACLRSLDU-LLVKDONJSA-N 1 1 323.349 1.219 20 5 DDBDMO CC(C)(CCc1noc([C@@H]2CCc3c[nH+]cn3C2)n1)[N+](=O)[O-] ZINC000896314122 711705364 /nfs/dbraw/zinc/70/53/64/711705364.db2.gz DCIZCYGSMWRRHO-SNVBAGLBSA-N 1 1 305.338 1.984 20 5 DDBDMO Cn1cc(CN[C@H]2C[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000906516336 712344751 /nfs/dbraw/zinc/34/47/51/712344751.db2.gz DRVPSUQKZBARRQ-JOCQHMNTSA-N 1 1 301.350 1.575 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000913930634 713321458 /nfs/dbraw/zinc/32/14/58/713321458.db2.gz KEDWXUQPKIHLSM-SMDDNHRTSA-N 1 1 321.381 1.399 20 5 DDBDMO CON1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636364 713883329 /nfs/dbraw/zinc/88/33/29/713883329.db2.gz GAKYIBRVBFDQKW-DZGCQCFKSA-N 1 1 319.361 1.937 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346795 714315166 /nfs/dbraw/zinc/31/51/66/714315166.db2.gz KUWZHCYPKDBHCG-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932710161 714395029 /nfs/dbraw/zinc/39/50/29/714395029.db2.gz LFXLZLXKEMBGPC-NWDGAFQWSA-N 1 1 301.387 1.746 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933684378 714647935 /nfs/dbraw/zinc/64/79/35/714647935.db2.gz ARKIRYPUHBUNEN-KBPBESRZSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933684378 714647937 /nfs/dbraw/zinc/64/79/37/714647937.db2.gz ARKIRYPUHBUNEN-KBPBESRZSA-N 1 1 324.381 1.370 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735319 714659087 /nfs/dbraw/zinc/65/90/87/714659087.db2.gz HFXIGNMSBPRNSW-BMFZPTHFSA-N 1 1 305.378 1.512 20 5 DDBDMO CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712925 716011183 /nfs/dbraw/zinc/01/11/83/716011183.db2.gz AYGVTQRGMIQBDZ-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO CC[N@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712925 716011187 /nfs/dbraw/zinc/01/11/87/716011187.db2.gz AYGVTQRGMIQBDZ-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO CC[N@@H+](CC1CC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712925 716011191 /nfs/dbraw/zinc/01/11/91/716011191.db2.gz AYGVTQRGMIQBDZ-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001164668058 719389029 /nfs/dbraw/zinc/38/90/29/719389029.db2.gz PUMXRXNIQFDKDI-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NCc1ccc(N)[nH+]c1C ZINC001167788342 738583582 /nfs/dbraw/zinc/58/35/82/738583582.db2.gz YTFPAWQFAAFWAK-UHFFFAOYSA-N 1 1 317.305 1.674 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1C(C)(C)C1(C)C ZINC001125312538 732650767 /nfs/dbraw/zinc/65/07/67/732650767.db2.gz AUBXNXIQOADPBZ-UHFFFAOYSA-N 1 1 323.397 1.216 20 5 DDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3[nH+]ccn3CC2)n1 ZINC001167178165 732806488 /nfs/dbraw/zinc/80/64/88/732806488.db2.gz KCZFZEZEEUOZFB-UHFFFAOYSA-N 1 1 308.729 1.606 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064046 734368625 /nfs/dbraw/zinc/36/86/25/734368625.db2.gz SDKHKEOOCHFBPS-XJFOESAGSA-N 1 1 323.780 1.742 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001184387308 744031164 /nfs/dbraw/zinc/03/11/64/744031164.db2.gz IVUBZHDSDNQJDB-JHJVBQTASA-N 1 1 321.377 1.739 20 5 DDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ncc[nH]1 ZINC001031658592 747331560 /nfs/dbraw/zinc/33/15/60/747331560.db2.gz NNWRQRYOAIOTAL-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031661617 747337063 /nfs/dbraw/zinc/33/70/63/747337063.db2.gz FARLXSGTCJJWJC-HUUCEWRRSA-N 1 1 303.362 1.208 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]c1 ZINC001031690747 747388204 /nfs/dbraw/zinc/38/82/04/747388204.db2.gz YSCXPLJJOKFHBP-UHFFFAOYSA-N 1 1 314.345 1.785 20 5 DDBDMO Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428411 749586017 /nfs/dbraw/zinc/58/60/17/749586017.db2.gz BVUMHGKJLVMQKQ-HUUCEWRRSA-N 1 1 318.377 1.136 20 5 DDBDMO O=C([C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022490 762201330 /nfs/dbraw/zinc/20/13/30/762201330.db2.gz CEVKWGRZQQAQID-ZNMIVQPWSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052075 762207135 /nfs/dbraw/zinc/20/71/35/762207135.db2.gz FXEDJRAZTCIFLJ-KFWWJZLASA-N 1 1 324.425 1.702 20 5 DDBDMO COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050666 762207161 /nfs/dbraw/zinc/20/71/61/762207161.db2.gz CHCYGVHIMOSZOM-HZSPNIEDSA-N 1 1 321.377 1.989 20 5 DDBDMO COC(=O)c1cnc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169056286 762211328 /nfs/dbraw/zinc/21/13/28/762211328.db2.gz RFGKWGUWYYRBGX-SMDDNHRTSA-N 1 1 319.361 1.672 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097190574 756980033 /nfs/dbraw/zinc/98/00/33/756980033.db2.gz SWYYOUFUANEYLT-BETUJISGSA-N 1 1 320.393 1.994 20 5 DDBDMO O=C(NCc1ccc(C[NH2+]CC2CC2)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001001525178 762937685 /nfs/dbraw/zinc/93/76/85/762937685.db2.gz UUNKXEVWSTYKSX-UKRRQHHQSA-N 1 1 321.352 1.607 20 5 DDBDMO COC(=O)C1C[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335475 766257580 /nfs/dbraw/zinc/25/75/80/766257580.db2.gz OGBGPKBJTGCHCV-SNVBAGLBSA-N 1 1 308.334 1.639 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001136839750 772170860 /nfs/dbraw/zinc/17/08/60/772170860.db2.gz SPPPJOUHMQTPMU-JTQLQIEISA-N 1 1 308.338 1.109 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001147741601 773227790 /nfs/dbraw/zinc/22/77/90/773227790.db2.gz GEKCQQIFFCEZMA-PWSUYJOCSA-N 1 1 321.381 1.517 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093787590 775078842 /nfs/dbraw/zinc/07/88/42/775078842.db2.gz GCRMAJRCFWKLLZ-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094574076 776049075 /nfs/dbraw/zinc/04/90/75/776049075.db2.gz MZRHBZNJQKUMMT-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)c1ncccc1[N+](=O)[O-] ZINC001100386806 776083807 /nfs/dbraw/zinc/08/38/07/776083807.db2.gz WNTJTYQMXDVEBC-UHFFFAOYSA-N 1 1 321.381 1.027 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H](CO)[C@@H](O)C1)CC2 ZINC001172902310 776915930 /nfs/dbraw/zinc/91/59/30/776915930.db2.gz AKFINVJCANPYTF-UXLLHSPISA-N 1 1 320.389 1.517 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233804 777064441 /nfs/dbraw/zinc/06/44/41/777064441.db2.gz YXFMNWGBDDMDQN-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233804 777064448 /nfs/dbraw/zinc/06/44/48/777064448.db2.gz YXFMNWGBDDMDQN-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO Cc1[nH]c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)[nH+]1 ZINC001178441800 779030988 /nfs/dbraw/zinc/03/09/88/779030988.db2.gz VRTDYOFWZAJVQZ-UHFFFAOYSA-N 1 1 318.333 1.938 20 5 DDBDMO Cc1ncoc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463759 779060795 /nfs/dbraw/zinc/06/07/95/779060795.db2.gz KYOAGEXSSBSCRC-CHWSQXEVSA-N 1 1 324.381 1.414 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110227884 779268038 /nfs/dbraw/zinc/26/80/38/779268038.db2.gz QKCUDWOUIDRLPX-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO CCN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273376121 849739539 /nfs/dbraw/zinc/73/95/39/849739539.db2.gz UXKFAWRLMQDSTO-TZMCWYRMSA-N 1 1 309.341 1.429 20 5 DDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768811183 881364394 /nfs/dbraw/zinc/36/43/94/881364394.db2.gz GYOGSBKVHXZPSU-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768811183 881364410 /nfs/dbraw/zinc/36/44/10/881364410.db2.gz GYOGSBKVHXZPSU-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO COc1ccc(NC(=O)NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001123267235 859152578 /nfs/dbraw/zinc/15/25/78/859152578.db2.gz CVQDEIFBWRXEHL-UHFFFAOYSA-N 1 1 320.349 1.987 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001141708230 860916603 /nfs/dbraw/zinc/91/66/03/860916603.db2.gz XZAIAYNSAQVIDP-ZIAGYGMSSA-N 1 1 321.377 1.995 20 5 DDBDMO CC[N@@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001158561815 864729264 /nfs/dbraw/zinc/72/92/64/864729264.db2.gz PBVYPXJJVPJTOA-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO CC[N@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001158561815 864729269 /nfs/dbraw/zinc/72/92/69/864729269.db2.gz PBVYPXJJVPJTOA-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO C[C@@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001332447472 865849564 /nfs/dbraw/zinc/84/95/64/865849564.db2.gz FODOTWRIKSVRGR-LLVKDONJSA-N 1 1 307.350 1.794 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C3CCC2(CO)CC3)c1 ZINC001334498108 867623226 /nfs/dbraw/zinc/62/32/26/867623226.db2.gz YVZOUDQGMRHKLF-CXOJTPOUSA-N 1 1 322.361 1.324 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2cccnc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164491025 869230114 /nfs/dbraw/zinc/23/01/14/869230114.db2.gz XUTOWVQJRNIBJI-ZIAGYGMSSA-N 1 1 318.377 1.123 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226360567 882383324 /nfs/dbraw/zinc/38/33/24/882383324.db2.gz DBQZTJHOZNMJAR-NSHDSACASA-N 1 1 324.333 1.863 20 5 DDBDMO CCCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC001299832728 870941491 /nfs/dbraw/zinc/94/14/91/870941491.db2.gz FHJAFKCAYZTHGM-NSHDSACASA-N 1 1 307.354 1.128 20 5 DDBDMO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001307539426 871440859 /nfs/dbraw/zinc/44/08/59/871440859.db2.gz QKOPFYQOUKXGEE-UHFFFAOYSA-N 1 1 314.345 1.867 20 5 DDBDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001307539426 871440868 /nfs/dbraw/zinc/44/08/68/871440868.db2.gz QKOPFYQOUKXGEE-UHFFFAOYSA-N 1 1 314.345 1.867 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC001308140441 871476008 /nfs/dbraw/zinc/47/60/08/871476008.db2.gz LCDBGDQCHLGHGC-GFCCVEGCSA-N 1 1 317.353 1.076 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC001344406456 872996387 /nfs/dbraw/zinc/99/63/87/872996387.db2.gz DUMSPGKOCPLUQJ-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@@H]2C1 ZINC001348566011 874636494 /nfs/dbraw/zinc/63/64/94/874636494.db2.gz UGPXSQJVIQVLJA-NDMJEZRESA-N 1 1 309.341 1.978 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4o3)[C@H]1CC(=O)C2 ZINC001227233721 882925108 /nfs/dbraw/zinc/92/51/08/882925108.db2.gz FPQSQWUODVJFJX-MRCXROJRSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4o3)[C@H]1CC(=O)C2 ZINC001227233721 882925123 /nfs/dbraw/zinc/92/51/23/882925123.db2.gz FPQSQWUODVJFJX-MRCXROJRSA-N 1 1 317.301 1.919 20 5 DDBDMO CCCCOCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227257848 882936546 /nfs/dbraw/zinc/93/65/46/882936546.db2.gz GHBMXSBNDTXRNK-ZIAGYGMSSA-N 1 1 313.398 1.049 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC12CCCCC2 ZINC001350741204 875864806 /nfs/dbraw/zinc/86/48/06/875864806.db2.gz OAQPQWNZRVJNKI-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO C[N@@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC001353203917 877184510 /nfs/dbraw/zinc/18/45/10/877184510.db2.gz RSFCVDZKRZIVRX-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC001353203917 877184515 /nfs/dbraw/zinc/18/45/15/877184515.db2.gz RSFCVDZKRZIVRX-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO Cc1cnc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC001224183128 881262069 /nfs/dbraw/zinc/26/20/69/881262069.db2.gz MVNFMMXZEMQOPB-GLQYFDAESA-N 1 1 319.361 1.927 20 5 DDBDMO COC(=O)c1cc(O[C@@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001228772814 883662813 /nfs/dbraw/zinc/66/28/13/883662813.db2.gz ZMZZSOOQFQVXGD-GFCCVEGCSA-N 1 1 317.301 1.972 20 5 DDBDMO C[N@H+]1CCC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365110 883946237 /nfs/dbraw/zinc/94/62/37/883946237.db2.gz RDQPMTDMOCXZGN-SNVBAGLBSA-N 1 1 304.306 1.717 20 5 DDBDMO COCCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231010050 885134670 /nfs/dbraw/zinc/13/46/70/885134670.db2.gz IDHWPLAYMFPDIA-UHFFFAOYSA-N 1 1 309.366 1.569 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001234245085 887785445 /nfs/dbraw/zinc/78/54/45/887785445.db2.gz ZKDWXKFBZLBKTB-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)n1 ZINC001234908138 888243177 /nfs/dbraw/zinc/24/31/77/888243177.db2.gz DHZBPFKPWQMDKB-LLVKDONJSA-N 1 1 323.353 1.515 20 5 DDBDMO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2F)c([N+](=O)[O-])c1 ZINC001246087555 892408195 /nfs/dbraw/zinc/40/81/95/892408195.db2.gz OZWDOPFCTPYFKC-GDLCADMTSA-N 1 1 311.357 1.824 20 5 DDBDMO O=C(NCC[NH+]1CC=CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001254876423 896644795 /nfs/dbraw/zinc/64/47/95/896644795.db2.gz CWPRYFYTIKHPLA-UHFFFAOYSA-N 1 1 319.346 1.201 20 5 DDBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261684 214054052 /nfs/dbraw/zinc/05/40/52/214054052.db2.gz IGZVKZREEOZTEX-ZFWWWQNUSA-N 1 1 324.377 1.441 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000450958711 230978386 /nfs/dbraw/zinc/97/83/86/230978386.db2.gz WOBSRJXFFUXILI-SECBINFHSA-N 1 1 300.746 1.146 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000450958711 230978390 /nfs/dbraw/zinc/97/83/90/230978390.db2.gz WOBSRJXFFUXILI-SECBINFHSA-N 1 1 300.746 1.146 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000451306469 231063082 /nfs/dbraw/zinc/06/30/82/231063082.db2.gz YHKCGJXGGUVPCI-USXIJHARSA-N 1 1 320.389 1.999 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249484538 282159750 /nfs/dbraw/zinc/15/97/50/282159750.db2.gz CFVYQIUFZHGWTD-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000451670654 231158296 /nfs/dbraw/zinc/15/82/96/231158296.db2.gz XCBJGROEUHDYDR-OKILXGFUSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)N1CCO ZINC000451670654 231158305 /nfs/dbraw/zinc/15/83/05/231158305.db2.gz XCBJGROEUHDYDR-OKILXGFUSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249590323 282179501 /nfs/dbraw/zinc/17/95/01/282179501.db2.gz VDXXBHKNNKMMFG-WCQYABFASA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249590323 282179503 /nfs/dbraw/zinc/17/95/03/282179503.db2.gz VDXXBHKNNKMMFG-WCQYABFASA-N 1 1 307.350 1.559 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263371 529485571 /nfs/dbraw/zinc/48/55/71/529485571.db2.gz YUTPSTXYJUQYIG-MELADBBJSA-N 1 1 324.377 1.427 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495215049 529572382 /nfs/dbraw/zinc/57/23/82/529572382.db2.gz ZLMZQURYLNHDEO-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495215049 529572385 /nfs/dbraw/zinc/57/23/85/529572385.db2.gz ZLMZQURYLNHDEO-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286592895 219070452 /nfs/dbraw/zinc/07/04/52/219070452.db2.gz VYDUGLHIOJPAPP-NSHDSACASA-N 1 1 320.349 1.086 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286592895 219070455 /nfs/dbraw/zinc/07/04/55/219070455.db2.gz VYDUGLHIOJPAPP-NSHDSACASA-N 1 1 320.349 1.086 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454289760 529797565 /nfs/dbraw/zinc/79/75/65/529797565.db2.gz MGPJWRSGQBFESH-OCCSQVGLSA-N 1 1 304.350 1.440 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000286744964 219142810 /nfs/dbraw/zinc/14/28/10/219142810.db2.gz NYDGFYQURNWLKX-CQSZACIVSA-N 1 1 315.377 1.691 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299331515 530063585 /nfs/dbraw/zinc/06/35/85/530063585.db2.gz ZKFYKYRDCFOUES-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000272670741 210076924 /nfs/dbraw/zinc/07/69/24/210076924.db2.gz KNLJKQDYOPFQJW-ONGXEEELSA-N 1 1 305.334 1.655 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000272670741 210076926 /nfs/dbraw/zinc/07/69/26/210076926.db2.gz KNLJKQDYOPFQJW-ONGXEEELSA-N 1 1 305.334 1.655 20 5 DDBDMO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000089304764 295779298 /nfs/dbraw/zinc/77/92/98/295779298.db2.gz TZBUOJWSSPPKTB-LBPRGKRZSA-N 1 1 323.418 1.691 20 5 DDBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000279929623 215246862 /nfs/dbraw/zinc/24/68/62/215246862.db2.gz WQMCUTCIVWBCPI-CYBMUJFWSA-N 1 1 308.334 1.664 20 5 DDBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000279929623 215246864 /nfs/dbraw/zinc/24/68/64/215246864.db2.gz WQMCUTCIVWBCPI-CYBMUJFWSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000041886267 352317568 /nfs/dbraw/zinc/31/75/68/352317568.db2.gz KXTQGDIXDZKNRI-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023419 352521292 /nfs/dbraw/zinc/52/12/92/352521292.db2.gz NUPHTBALNDPNRZ-AWEZNQCLSA-N 1 1 310.350 1.445 20 5 DDBDMO COC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000053898101 352671326 /nfs/dbraw/zinc/67/13/26/352671326.db2.gz PMEBTQJJGPCHMS-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173213423 198196479 /nfs/dbraw/zinc/19/64/79/198196479.db2.gz RHBTUNGJJKYYNF-DOMZBBRYSA-N 1 1 305.378 1.936 20 5 DDBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000063749474 352923455 /nfs/dbraw/zinc/92/34/55/352923455.db2.gz STEKDNZZAHAXKO-VXGBXAGGSA-N 1 1 309.370 1.028 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000066126023 352978896 /nfs/dbraw/zinc/97/88/96/352978896.db2.gz XTUCIRDSTQOMJV-LBPRGKRZSA-N 1 1 309.366 1.820 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724281 353064891 /nfs/dbraw/zinc/06/48/91/353064891.db2.gz HANBLLMTVLZGCP-UHFFFAOYSA-N 1 1 317.349 1.989 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C1CC1 ZINC000067965659 353077864 /nfs/dbraw/zinc/07/78/64/353077864.db2.gz ALTOXTLVHMPWPH-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068219488 353096846 /nfs/dbraw/zinc/09/68/46/353096846.db2.gz VYWDVVUVJBBHSZ-NSHDSACASA-N 1 1 307.350 1.573 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173917852 198269150 /nfs/dbraw/zinc/26/91/50/198269150.db2.gz VFHWSSFLODKQGQ-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831144 353220012 /nfs/dbraw/zinc/22/00/12/353220012.db2.gz LOBLSTUSQIRXJG-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831144 353220015 /nfs/dbraw/zinc/22/00/15/353220015.db2.gz LOBLSTUSQIRXJG-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000075640526 353373718 /nfs/dbraw/zinc/37/37/18/353373718.db2.gz YZVOIEBLZPHMMN-STQMWFEESA-N 1 1 321.337 1.286 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083217010 353707837 /nfs/dbraw/zinc/70/78/37/353707837.db2.gz ZIBXUOZFOJZCET-JTQLQIEISA-N 1 1 318.333 1.823 20 5 DDBDMO Cc1nc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090146174 353791431 /nfs/dbraw/zinc/79/14/31/353791431.db2.gz LVJXVQPFSQPTJQ-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1nc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090146174 353791433 /nfs/dbraw/zinc/79/14/33/353791433.db2.gz LVJXVQPFSQPTJQ-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093333210 353896001 /nfs/dbraw/zinc/89/60/01/353896001.db2.gz RFDFFFVWCCRSRD-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346736 353951516 /nfs/dbraw/zinc/95/15/16/353951516.db2.gz GELRCCKKJUEHSV-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401789583 354667117 /nfs/dbraw/zinc/66/71/17/354667117.db2.gz VRDBDKKOTNWLNF-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401789583 354667119 /nfs/dbraw/zinc/66/71/19/354667119.db2.gz VRDBDKKOTNWLNF-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706851 354830741 /nfs/dbraw/zinc/83/07/41/354830741.db2.gz SKBFFHFHMQBQGB-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706851 354830743 /nfs/dbraw/zinc/83/07/43/354830743.db2.gz SKBFFHFHMQBQGB-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO Cc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860601 354943329 /nfs/dbraw/zinc/94/33/29/354943329.db2.gz JYQOATUSLJYVOG-CHWSQXEVSA-N 1 1 319.361 1.184 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589498394 354996995 /nfs/dbraw/zinc/99/69/95/354996995.db2.gz UQKZMVWBDWSYCG-LLVKDONJSA-N 1 1 308.334 1.850 20 5 DDBDMO CCc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044199 355042515 /nfs/dbraw/zinc/04/25/15/355042515.db2.gz IFRXHFZPJYPXOM-DZGCQCFKSA-N 1 1 303.362 1.933 20 5 DDBDMO CCOc1cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972766 213210782 /nfs/dbraw/zinc/21/07/82/213210782.db2.gz XFELUBQVIIKZMC-NEPJUHHUSA-N 1 1 312.366 1.557 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446890 355099434 /nfs/dbraw/zinc/09/94/34/355099434.db2.gz WVSFCDSZUZUFFU-TZMCWYRMSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000590446623 355099769 /nfs/dbraw/zinc/09/97/69/355099769.db2.gz TYJAIVXHGVBAHF-YGRLFVJLSA-N 1 1 314.345 1.852 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147597 355254827 /nfs/dbraw/zinc/25/48/27/355254827.db2.gz STIJRALQIWJLHN-LLVKDONJSA-N 1 1 323.372 1.709 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147597 355254832 /nfs/dbraw/zinc/25/48/32/355254832.db2.gz STIJRALQIWJLHN-LLVKDONJSA-N 1 1 323.372 1.709 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000591534391 355324493 /nfs/dbraw/zinc/32/44/93/355324493.db2.gz AHTTUCVQQBOUDM-DOMZBBRYSA-N 1 1 303.362 1.988 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593062078 355783875 /nfs/dbraw/zinc/78/38/75/355783875.db2.gz XEJKIAGDNCXTEC-UONOGXRCSA-N 1 1 324.333 1.043 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593062078 355783876 /nfs/dbraw/zinc/78/38/76/355783876.db2.gz XEJKIAGDNCXTEC-UONOGXRCSA-N 1 1 324.333 1.043 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000593187605 355819673 /nfs/dbraw/zinc/81/96/73/355819673.db2.gz MKHPHXODYNUZKI-JLLWLGSASA-N 1 1 306.366 1.851 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969922 356077036 /nfs/dbraw/zinc/07/70/36/356077036.db2.gz GNYIHCASRJFJJM-QWHCGFSZSA-N 1 1 311.382 1.185 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(CN2CCN(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000593979708 356078710 /nfs/dbraw/zinc/07/87/10/356078710.db2.gz QOBOQTOZOJNREY-UHFFFAOYSA-N 1 1 323.303 1.918 20 5 DDBDMO Cn1cnnc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594024275 356093373 /nfs/dbraw/zinc/09/33/73/356093373.db2.gz ZIJFYONBFBYHPD-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027792 356094202 /nfs/dbraw/zinc/09/42/02/356094202.db2.gz ZVFYKPXMTXZKLD-HIFRSBDPSA-N 1 1 324.381 1.186 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595829059 356666729 /nfs/dbraw/zinc/66/67/29/356666729.db2.gz GZIPKAKGGPCPEG-CHWSQXEVSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595829059 356666730 /nfs/dbraw/zinc/66/67/30/356666730.db2.gz GZIPKAKGGPCPEG-CHWSQXEVSA-N 1 1 319.361 1.810 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871950 356687232 /nfs/dbraw/zinc/68/72/32/356687232.db2.gz IXWCYTFQLSDQEG-ZUZCIYMTSA-N 1 1 307.350 1.144 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596173181 356801689 /nfs/dbraw/zinc/80/16/89/356801689.db2.gz QGGGMFYPOIFHPZ-UHFFFAOYSA-N 1 1 323.397 1.367 20 5 DDBDMO Cc1nc(N2CCC([N@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596268565 356838921 /nfs/dbraw/zinc/83/89/21/356838921.db2.gz LYISSEVTOUWBAP-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209903 357094769 /nfs/dbraw/zinc/09/47/69/357094769.db2.gz FJOFLBIOCGYQFG-WBMJQRKESA-N 1 1 320.345 1.834 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598651464 357671648 /nfs/dbraw/zinc/67/16/48/357671648.db2.gz SVENGAPEZBXIAW-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598651464 357671655 /nfs/dbraw/zinc/67/16/55/357671655.db2.gz SVENGAPEZBXIAW-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598652065 357671709 /nfs/dbraw/zinc/67/17/09/357671709.db2.gz WTISVTANRRKVJE-QWHCGFSZSA-N 1 1 321.377 1.874 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598562030 357633737 /nfs/dbraw/zinc/63/37/37/357633737.db2.gz RXHYTUYAFXTHSU-ZDUSSCGKSA-N 1 1 321.381 1.030 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000599064859 357805656 /nfs/dbraw/zinc/80/56/56/357805656.db2.gz GCCASRPLBNQULM-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000599064859 357805661 /nfs/dbraw/zinc/80/56/61/357805661.db2.gz GCCASRPLBNQULM-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104018 357816414 /nfs/dbraw/zinc/81/64/14/357816414.db2.gz KWXRKXMUODMBIB-RKDXNWHRSA-N 1 1 317.342 1.153 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000599137648 357826849 /nfs/dbraw/zinc/82/68/49/357826849.db2.gz ARXAVVKTIVUCLD-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175973 357840578 /nfs/dbraw/zinc/84/05/78/357840578.db2.gz LPSGVMSQCJCSPY-LLVKDONJSA-N 1 1 302.334 1.043 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599512294 357961022 /nfs/dbraw/zinc/96/10/22/357961022.db2.gz HVGFEBSTIIXEKL-JFGNBEQYSA-N 1 1 318.324 1.375 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCS(=O)(=O)CC3)c2c1 ZINC000601110658 358405425 /nfs/dbraw/zinc/40/54/25/358405425.db2.gz JKRBNUDERYBBPA-UHFFFAOYSA-N 1 1 307.331 1.378 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000601972370 358760622 /nfs/dbraw/zinc/76/06/22/358760622.db2.gz FMIDLHAQNKHTTD-BETUJISGSA-N 1 1 317.345 1.062 20 5 DDBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602472770 359001672 /nfs/dbraw/zinc/00/16/72/359001672.db2.gz PNTHPHGWRCUCJU-OLZOCXBDSA-N 1 1 324.381 1.080 20 5 DDBDMO CS[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602797271 359199454 /nfs/dbraw/zinc/19/94/54/359199454.db2.gz IBPQQAYJLGVXTI-VXGBXAGGSA-N 1 1 313.427 1.077 20 5 DDBDMO CS[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602797271 359199462 /nfs/dbraw/zinc/19/94/62/359199462.db2.gz IBPQQAYJLGVXTI-VXGBXAGGSA-N 1 1 313.427 1.077 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000602822144 359216138 /nfs/dbraw/zinc/21/61/38/359216138.db2.gz SBXDMTKMXLQUNQ-HNNXBMFYSA-N 1 1 324.381 1.370 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899263 359280609 /nfs/dbraw/zinc/28/06/09/359280609.db2.gz OYVPQTBVUBQMBM-WCQYABFASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899263 359280611 /nfs/dbraw/zinc/28/06/11/359280611.db2.gz OYVPQTBVUBQMBM-WCQYABFASA-N 1 1 300.742 1.566 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C[C@H]1CO ZINC000602902399 359282755 /nfs/dbraw/zinc/28/27/55/359282755.db2.gz BWFLOFRWRMVPRU-HNNXBMFYSA-N 1 1 323.393 1.490 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000602902399 359282761 /nfs/dbraw/zinc/28/27/61/359282761.db2.gz BWFLOFRWRMVPRU-HNNXBMFYSA-N 1 1 323.393 1.490 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000602957754 359321883 /nfs/dbraw/zinc/32/18/83/359321883.db2.gz PQZMTIJVSZGBKZ-GFCCVEGCSA-N 1 1 321.381 1.526 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602960500 359322341 /nfs/dbraw/zinc/32/23/41/359322341.db2.gz KOKLVZKGKPOWAQ-LBPRGKRZSA-N 1 1 321.381 1.668 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964443 359327916 /nfs/dbraw/zinc/32/79/16/359327916.db2.gz PNLVSYXNQSMROH-JKSUJKDBSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186803711 200013171 /nfs/dbraw/zinc/01/31/71/200013171.db2.gz IWNDJGNSFCVDBK-CYBMUJFWSA-N 1 1 310.350 1.039 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186804082 200014650 /nfs/dbraw/zinc/01/46/50/200014650.db2.gz CBYYYISGZVCKEF-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186900490 200028508 /nfs/dbraw/zinc/02/85/08/200028508.db2.gz HPDTXANIZJCYTP-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000603400391 359616623 /nfs/dbraw/zinc/61/66/23/359616623.db2.gz HGRXPNSIOMPJDF-NSHDSACASA-N 1 1 324.356 1.818 20 5 DDBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188688318 200287365 /nfs/dbraw/zinc/28/73/65/200287365.db2.gz OSJCNIZGLJEERF-LBPRGKRZSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188724470 200294233 /nfs/dbraw/zinc/29/42/33/200294233.db2.gz NHORKUKLNIPIQQ-GFCCVEGCSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188724470 200294235 /nfs/dbraw/zinc/29/42/35/200294235.db2.gz NHORKUKLNIPIQQ-GFCCVEGCSA-N 1 1 321.377 1.512 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609257960 360277305 /nfs/dbraw/zinc/27/73/05/360277305.db2.gz XYBHVQZVGCUKFM-SECBINFHSA-N 1 1 307.306 1.148 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610070455 360378329 /nfs/dbraw/zinc/37/83/29/360378329.db2.gz AHJHMTNPUKMGBC-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000610484691 360447474 /nfs/dbraw/zinc/44/74/74/360447474.db2.gz DJSMGXOTRITSBL-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610615774 360482841 /nfs/dbraw/zinc/48/28/41/360482841.db2.gz SMWAFXXQKFSVOB-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610615774 360482848 /nfs/dbraw/zinc/48/28/48/360482848.db2.gz SMWAFXXQKFSVOB-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611242540 360676839 /nfs/dbraw/zinc/67/68/39/360676839.db2.gz SJOZWHXHZDQLTC-NSHDSACASA-N 1 1 324.406 1.575 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413831 360714924 /nfs/dbraw/zinc/71/49/24/360714924.db2.gz ZDCIRLQOTITMGJ-NSHDSACASA-N 1 1 324.406 1.399 20 5 DDBDMO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193558616 201075418 /nfs/dbraw/zinc/07/54/18/201075418.db2.gz WKGPLULPBKGMAC-GZMMTYOYSA-N 1 1 303.322 1.341 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193633866 201091532 /nfs/dbraw/zinc/09/15/32/201091532.db2.gz JMJVIXQRGVJDHE-XHDPSFHLSA-N 1 1 321.377 1.996 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873755 364170684 /nfs/dbraw/zinc/17/06/84/364170684.db2.gz UTESVQZCBCCKQB-CQSZACIVSA-N 1 1 318.377 1.023 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000351078319 284300670 /nfs/dbraw/zinc/30/06/70/284300670.db2.gz XVXDYZJXQFVSNM-UHFFFAOYSA-N 1 1 307.354 1.128 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266114864 205109003 /nfs/dbraw/zinc/10/90/03/205109003.db2.gz NMUUKBJABDELDK-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159787185 197364431 /nfs/dbraw/zinc/36/44/31/197364431.db2.gz ROTUHNCMSRZPLI-WFASDCNBSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284739777 218155824 /nfs/dbraw/zinc/15/58/24/218155824.db2.gz KUCWSWWEFRROMB-QPUJVOFHSA-N 1 1 308.294 1.117 20 5 DDBDMO CC(C)[N@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338594443 250048747 /nfs/dbraw/zinc/04/87/47/250048747.db2.gz XHICLENDZBEIGD-UHFFFAOYSA-N 1 1 322.365 1.690 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338594443 250048751 /nfs/dbraw/zinc/04/87/51/250048751.db2.gz XHICLENDZBEIGD-UHFFFAOYSA-N 1 1 322.365 1.690 20 5 DDBDMO C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000105177119 194082181 /nfs/dbraw/zinc/08/21/81/194082181.db2.gz NTOVWQBMERYRCR-LBPRGKRZSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057701519 184047584 /nfs/dbraw/zinc/04/75/84/184047584.db2.gz NOSLVJJPHBRRPD-LLVKDONJSA-N 1 1 306.366 1.606 20 5 DDBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000269219898 207340169 /nfs/dbraw/zinc/34/01/69/207340169.db2.gz ZYZZALJHEFVTTA-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO COc1cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000352407568 285030075 /nfs/dbraw/zinc/03/00/75/285030075.db2.gz VLFYHSXPEXHJNC-GFCCVEGCSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1ccc(OCC[N@@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352467658 285072009 /nfs/dbraw/zinc/07/20/09/285072009.db2.gz MEOLYOIWBFEHPT-UHFFFAOYSA-N 1 1 310.350 1.687 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccncc1 ZINC000352563780 285144166 /nfs/dbraw/zinc/14/41/66/285144166.db2.gz UCSCRXXRWFQNPK-UHFFFAOYSA-N 1 1 314.345 1.525 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccncc1 ZINC000352563780 285144167 /nfs/dbraw/zinc/14/41/67/285144167.db2.gz UCSCRXXRWFQNPK-UHFFFAOYSA-N 1 1 314.345 1.525 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@@H]1O ZINC000352661254 285205380 /nfs/dbraw/zinc/20/53/80/285205380.db2.gz RNRJCJHJGZXACX-STQMWFEESA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@@H]1O ZINC000352661254 285205382 /nfs/dbraw/zinc/20/53/82/285205382.db2.gz RNRJCJHJGZXACX-STQMWFEESA-N 1 1 318.333 1.990 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000444750490 533200196 /nfs/dbraw/zinc/20/01/96/533200196.db2.gz DXXDWRKXOGSZBE-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000352820994 285320362 /nfs/dbraw/zinc/32/03/62/285320362.db2.gz RPDFTKVLHXIVLU-UWVGGRQHSA-N 1 1 309.370 1.477 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000352869377 285348296 /nfs/dbraw/zinc/34/82/96/285348296.db2.gz WJXRSTUEQCBWKN-GHMZBOCLSA-N 1 1 323.397 1.629 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000299690377 533554379 /nfs/dbraw/zinc/55/43/79/533554379.db2.gz VWTLYVGPBKJMKC-STQMWFEESA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000330689938 292290327 /nfs/dbraw/zinc/29/03/27/292290327.db2.gz WDUCOQVSXWDZHM-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000330689938 292290329 /nfs/dbraw/zinc/29/03/29/292290329.db2.gz WDUCOQVSXWDZHM-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123010328 407316522 /nfs/dbraw/zinc/31/65/22/407316522.db2.gz UOOCETHGANSAQR-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123010328 407316523 /nfs/dbraw/zinc/31/65/23/407316523.db2.gz UOOCETHGANSAQR-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000123466428 407329833 /nfs/dbraw/zinc/32/98/33/407329833.db2.gz APGDAEPDWIYXQB-AWEZNQCLSA-N 1 1 314.313 1.792 20 5 DDBDMO C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2C1 ZINC000103410798 407338529 /nfs/dbraw/zinc/33/85/29/407338529.db2.gz FXQXDFUGEGXMLV-UHFFFAOYSA-N 1 1 315.333 1.270 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2C1 ZINC000103410798 407338531 /nfs/dbraw/zinc/33/85/31/407338531.db2.gz FXQXDFUGEGXMLV-UHFFFAOYSA-N 1 1 315.333 1.270 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000124661760 407365758 /nfs/dbraw/zinc/36/57/58/407365758.db2.gz KAYBMWKJJWPKLA-RYUDHWBXSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@]1(O)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000124982999 407375487 /nfs/dbraw/zinc/37/54/87/407375487.db2.gz RYCULNAIMWTWFD-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000124982999 407375488 /nfs/dbraw/zinc/37/54/88/407375488.db2.gz RYCULNAIMWTWFD-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111276889 407404707 /nfs/dbraw/zinc/40/47/07/407404707.db2.gz OVSZKHUTDFOXHO-QEJZJMRPSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111276889 407404709 /nfs/dbraw/zinc/40/47/09/407404709.db2.gz OVSZKHUTDFOXHO-QEJZJMRPSA-N 1 1 324.377 1.834 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265807058 407465452 /nfs/dbraw/zinc/46/54/52/407465452.db2.gz PFCITIFFAKMQBN-GFCCVEGCSA-N 1 1 319.361 1.452 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000113437912 407501982 /nfs/dbraw/zinc/50/19/82/407501982.db2.gz DKYQLACFAIAUAI-NSHDSACASA-N 1 1 322.365 1.690 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000151962275 407533933 /nfs/dbraw/zinc/53/39/33/407533933.db2.gz PZIKDKLHIZQRIB-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000245613598 408028440 /nfs/dbraw/zinc/02/84/40/408028440.db2.gz LZDSXWDIFKBHCT-QWHCGFSZSA-N 1 1 312.391 1.772 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000154472795 408040846 /nfs/dbraw/zinc/04/08/46/408040846.db2.gz JEOKPLFPPSFEHI-HNNXBMFYSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000154472795 408040849 /nfs/dbraw/zinc/04/08/49/408040849.db2.gz JEOKPLFPPSFEHI-HNNXBMFYSA-N 1 1 322.361 1.510 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000175211396 408079934 /nfs/dbraw/zinc/07/99/34/408079934.db2.gz GQXKKMVTSFDMAP-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136222783 408090329 /nfs/dbraw/zinc/09/03/29/408090329.db2.gz RPCMQAWIZYEADS-PHIMTYICSA-N 1 1 309.370 1.416 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136222783 408090335 /nfs/dbraw/zinc/09/03/35/408090335.db2.gz RPCMQAWIZYEADS-PHIMTYICSA-N 1 1 309.370 1.416 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136222783 408090340 /nfs/dbraw/zinc/09/03/40/408090340.db2.gz RPCMQAWIZYEADS-PHIMTYICSA-N 1 1 309.370 1.416 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000175329037 408107452 /nfs/dbraw/zinc/10/74/52/408107452.db2.gz VJLSKAAYZKPQLT-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000175329037 408107456 /nfs/dbraw/zinc/10/74/56/408107456.db2.gz VJLSKAAYZKPQLT-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000175329037 408107459 /nfs/dbraw/zinc/10/74/59/408107459.db2.gz VJLSKAAYZKPQLT-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000140404081 408175249 /nfs/dbraw/zinc/17/52/49/408175249.db2.gz XYBBPFQOUZZIHP-PHIMTYICSA-N 1 1 311.386 1.628 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000140404081 408175252 /nfs/dbraw/zinc/17/52/52/408175252.db2.gz XYBBPFQOUZZIHP-PHIMTYICSA-N 1 1 311.386 1.628 20 5 DDBDMO COc1ccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000156510150 408258467 /nfs/dbraw/zinc/25/84/67/408258467.db2.gz GMCWEYNDONKYFD-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183198501 408349424 /nfs/dbraw/zinc/34/94/24/408349424.db2.gz KUASMYUWIGSIRS-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000183198501 408349428 /nfs/dbraw/zinc/34/94/28/408349428.db2.gz KUASMYUWIGSIRS-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183185017 408346317 /nfs/dbraw/zinc/34/63/17/408346317.db2.gz AGRFETPLPRKKJK-YPMHNXCESA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183185017 408346323 /nfs/dbraw/zinc/34/63/23/408346323.db2.gz AGRFETPLPRKKJK-YPMHNXCESA-N 1 1 319.361 1.187 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173257767 162328526 /nfs/dbraw/zinc/32/85/26/162328526.db2.gz PFAHMBUJTMJUCI-CYBMUJFWSA-N 1 1 321.381 1.172 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000183345080 408385421 /nfs/dbraw/zinc/38/54/21/408385421.db2.gz DLYURWSRCKMBEI-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000247329408 408450999 /nfs/dbraw/zinc/45/09/99/408450999.db2.gz MXHDUIRISZNAAB-SWLSCSKDSA-N 1 1 305.378 1.982 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191327582 408406176 /nfs/dbraw/zinc/40/61/76/408406176.db2.gz SJYXJULDOLORTP-UHFFFAOYSA-N 1 1 324.381 1.647 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000191789285 408492568 /nfs/dbraw/zinc/49/25/68/408492568.db2.gz NABKWVDFGJGSJG-LBPRGKRZSA-N 1 1 323.397 1.661 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000160853212 408529651 /nfs/dbraw/zinc/52/96/51/408529651.db2.gz ZWJLJSLNDFXJLZ-NHYWBVRUSA-N 1 1 321.377 1.933 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270609786 408602773 /nfs/dbraw/zinc/60/27/73/408602773.db2.gz ZBEDGZNIFXYOEK-UHFFFAOYSA-N 1 1 317.267 1.951 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270609786 408602779 /nfs/dbraw/zinc/60/27/79/408602779.db2.gz ZBEDGZNIFXYOEK-UHFFFAOYSA-N 1 1 317.267 1.951 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177162534 408538859 /nfs/dbraw/zinc/53/88/59/408538859.db2.gz GXZLDTRBHQKFAE-ONGXEEELSA-N 1 1 304.350 1.653 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000161486353 408608351 /nfs/dbraw/zinc/60/83/51/408608351.db2.gz OILRHRPULQUPLX-UHFFFAOYSA-N 1 1 323.393 1.530 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249262085 408707330 /nfs/dbraw/zinc/70/73/30/408707330.db2.gz HFDYUOJMAWLYAP-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000162188185 408677339 /nfs/dbraw/zinc/67/73/39/408677339.db2.gz XPSONIUHPPLVKG-ZDUSSCGKSA-N 1 1 323.397 1.194 20 5 DDBDMO CCn1cc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cn1 ZINC000265571800 408697830 /nfs/dbraw/zinc/69/78/30/408697830.db2.gz WXNMYDIWORJPSO-UHFFFAOYSA-N 1 1 306.322 1.815 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000251853244 408787682 /nfs/dbraw/zinc/78/76/82/408787682.db2.gz QPAILHDQOPQQMG-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000251853244 408787686 /nfs/dbraw/zinc/78/76/86/408787686.db2.gz QPAILHDQOPQQMG-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000292029950 408966021 /nfs/dbraw/zinc/96/60/21/408966021.db2.gz YXOYRLFQRUVPPV-NSHDSACASA-N 1 1 316.304 1.923 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000292029950 408966023 /nfs/dbraw/zinc/96/60/23/408966023.db2.gz YXOYRLFQRUVPPV-NSHDSACASA-N 1 1 316.304 1.923 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C)CC1 ZINC000282049120 408979579 /nfs/dbraw/zinc/97/95/79/408979579.db2.gz VEDDVVPRPWDTSM-UHFFFAOYSA-N 1 1 308.338 1.773 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000277683316 408992452 /nfs/dbraw/zinc/99/24/52/408992452.db2.gz YVQYFMWGTAKHRO-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292183527 408997249 /nfs/dbraw/zinc/99/72/49/408997249.db2.gz QUCNCTHDISBAKQ-CQSZACIVSA-N 1 1 321.377 1.505 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000282247977 409018307 /nfs/dbraw/zinc/01/83/07/409018307.db2.gz MPJOCCIFRAPWFO-UHFFFAOYSA-N 1 1 308.382 1.724 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000282247977 409018309 /nfs/dbraw/zinc/01/83/09/409018309.db2.gz MPJOCCIFRAPWFO-UHFFFAOYSA-N 1 1 308.382 1.724 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293288055 409082942 /nfs/dbraw/zinc/08/29/42/409082942.db2.gz VURYUIXGWSLYMN-KGLIPLIRSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284012562 409257830 /nfs/dbraw/zinc/25/78/30/409257830.db2.gz OEMLNHWEDWJTPU-SNVBAGLBSA-N 1 1 324.356 1.920 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000284269196 409307497 /nfs/dbraw/zinc/30/74/97/409307497.db2.gz GUUBLVWFPPMXQL-ZIAGYGMSSA-N 1 1 307.394 1.790 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280518730 409337811 /nfs/dbraw/zinc/33/78/11/409337811.db2.gz CEZIJUVUBXTCQB-HNNXBMFYSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000295260788 409401747 /nfs/dbraw/zinc/40/17/47/409401747.db2.gz GCJFLDMBADPCOF-QWHCGFSZSA-N 1 1 320.393 1.408 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285380478 409419846 /nfs/dbraw/zinc/41/98/46/409419846.db2.gz WLXVHSFMWGBZFQ-ZIAGYGMSSA-N 1 1 305.334 1.140 20 5 DDBDMO COc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768836 164029189 /nfs/dbraw/zinc/02/91/89/164029189.db2.gz QKAMYUGUZPNYOR-OLZOCXBDSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000331560306 409638179 /nfs/dbraw/zinc/63/81/79/409638179.db2.gz SXGOMCPNRJYPJA-SNVBAGLBSA-N 1 1 305.334 1.570 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000342351353 409586121 /nfs/dbraw/zinc/58/61/21/409586121.db2.gz WSQKKNIVLYZBIC-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+](Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304302907 409596715 /nfs/dbraw/zinc/59/67/15/409596715.db2.gz IQZOGWMHRGYCBU-HNNXBMFYSA-N 1 1 322.340 1.813 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000345075454 409616077 /nfs/dbraw/zinc/61/60/77/409616077.db2.gz ODSZVTPOHWWGEL-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000356903496 409707555 /nfs/dbraw/zinc/70/75/55/409707555.db2.gz PRLJFEMSRQTCBL-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO COc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591917 409671496 /nfs/dbraw/zinc/67/14/96/409671496.db2.gz XZBUEQYHXSLZJN-MNOVXSKESA-N 1 1 319.361 1.958 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000349990939 409921275 /nfs/dbraw/zinc/92/12/75/409921275.db2.gz NCXCQZLPPJDZJJ-UHFFFAOYSA-N 1 1 306.322 1.077 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244110 409870645 /nfs/dbraw/zinc/87/06/45/409870645.db2.gz UNJPEFOYRLLDEA-SRVKXCTJSA-N 1 1 321.381 1.131 20 5 DDBDMO Cc1nn(CCC(=O)NCC[N@H+](C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000338814388 410040039 /nfs/dbraw/zinc/04/00/39/410040039.db2.gz HGRFLSNNPGCJIT-UHFFFAOYSA-N 1 1 311.386 1.255 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000354739924 410052218 /nfs/dbraw/zinc/05/22/18/410052218.db2.gz NZAIOIAXUQLTBQ-UHFFFAOYSA-N 1 1 301.368 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986099 410053067 /nfs/dbraw/zinc/05/30/67/410053067.db2.gz AMDUWSZGLVGNDO-KWQFWETISA-N 1 1 303.322 1.607 20 5 DDBDMO COc1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000354811978 410105650 /nfs/dbraw/zinc/10/56/50/410105650.db2.gz WVKSWVIVJNJVSM-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000298471474 410245236 /nfs/dbraw/zinc/24/52/36/410245236.db2.gz QOAJQMFIRLYHBB-GFCCVEGCSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298732262 410372952 /nfs/dbraw/zinc/37/29/52/410372952.db2.gz JRWRWOWOXPAROU-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000339778647 410453609 /nfs/dbraw/zinc/45/36/09/410453609.db2.gz FIKUKUKGBSPLAF-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](O)CC1 ZINC000339778647 410453613 /nfs/dbraw/zinc/45/36/13/410453613.db2.gz FIKUKUKGBSPLAF-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000352235567 410569561 /nfs/dbraw/zinc/56/95/61/410569561.db2.gz XCLXGDKRLJPDCR-LBPRGKRZSA-N 1 1 319.361 1.452 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000343612961 410571435 /nfs/dbraw/zinc/57/14/35/410571435.db2.gz QCVLGYBJAQXARA-AWEZNQCLSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352196558 410540394 /nfs/dbraw/zinc/54/03/94/410540394.db2.gz ZXRGEQDHKBAZQG-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000352196558 410540401 /nfs/dbraw/zinc/54/04/01/410540401.db2.gz ZXRGEQDHKBAZQG-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@H+]1C ZINC000343583802 410551430 /nfs/dbraw/zinc/55/14/30/410551430.db2.gz ZKEAPTRZIIRKNT-KOLCDFICSA-N 1 1 321.333 1.536 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000301682872 410771087 /nfs/dbraw/zinc/77/10/87/410771087.db2.gz VUKRLOGMFPPUQF-CVEARBPZSA-N 1 1 314.345 1.662 20 5 DDBDMO Cc1cc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC000301591950 410750029 /nfs/dbraw/zinc/75/00/29/410750029.db2.gz YMBUURHMBHKJCR-KBPBESRZSA-N 1 1 320.393 1.724 20 5 DDBDMO Cc1c([C@@H](C)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673532 410865380 /nfs/dbraw/zinc/86/53/80/410865380.db2.gz HKGPOMFCILMVPH-KGLIPLIRSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1c([C@@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673532 410865384 /nfs/dbraw/zinc/86/53/84/410865384.db2.gz HKGPOMFCILMVPH-KGLIPLIRSA-N 1 1 306.410 1.800 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000359816004 410897326 /nfs/dbraw/zinc/89/73/26/410897326.db2.gz VOVBIKKUMUTBED-MRXNPFEDSA-N 1 1 324.377 1.965 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359816004 410897332 /nfs/dbraw/zinc/89/73/32/410897332.db2.gz VOVBIKKUMUTBED-MRXNPFEDSA-N 1 1 324.377 1.965 20 5 DDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000353774884 411128523 /nfs/dbraw/zinc/12/85/23/411128523.db2.gz JIAWSDCAUJVRPY-DIECRNLCSA-N 1 1 324.402 1.975 20 5 DDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000353774884 411128526 /nfs/dbraw/zinc/12/85/26/411128526.db2.gz JIAWSDCAUJVRPY-DIECRNLCSA-N 1 1 324.402 1.975 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360221016 411104997 /nfs/dbraw/zinc/10/49/97/411104997.db2.gz CKHJPGCUOBCYFM-ZNMIVQPWSA-N 1 1 309.410 1.766 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000353767458 411126528 /nfs/dbraw/zinc/12/65/28/411126528.db2.gz LELKIQVKNHZOLV-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000358036073 299053046 /nfs/dbraw/zinc/05/30/46/299053046.db2.gz BVUMCGOVBOIGAE-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366332975 418459798 /nfs/dbraw/zinc/45/97/98/418459798.db2.gz PNBADEOIFUWTCF-YUSALJHKSA-N 1 1 303.318 1.250 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000374164659 418497603 /nfs/dbraw/zinc/49/76/03/418497603.db2.gz SIPWTKJGTUUBFM-DGCLKSJQSA-N 1 1 305.334 1.184 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000374164659 418497604 /nfs/dbraw/zinc/49/76/04/418497604.db2.gz SIPWTKJGTUUBFM-DGCLKSJQSA-N 1 1 305.334 1.184 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366620231 418498245 /nfs/dbraw/zinc/49/82/45/418498245.db2.gz NXVAFYGHGHVXFW-LBPRGKRZSA-N 1 1 307.398 1.777 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000366817197 418520954 /nfs/dbraw/zinc/52/09/54/418520954.db2.gz CYVGEWMXLOXPHF-AWEZNQCLSA-N 1 1 307.350 1.951 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000366817197 418520957 /nfs/dbraw/zinc/52/09/57/418520957.db2.gz CYVGEWMXLOXPHF-AWEZNQCLSA-N 1 1 307.350 1.951 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000366919263 418537895 /nfs/dbraw/zinc/53/78/95/418537895.db2.gz CJWXYFBOQUVWOC-INIZCTEOSA-N 1 1 316.361 1.642 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)n1 ZINC000191660144 222106508 /nfs/dbraw/zinc/10/65/08/222106508.db2.gz DUFBMNVEBIHXIF-NEPJUHHUSA-N 1 1 321.381 1.510 20 5 DDBDMO COc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000195311218 222198765 /nfs/dbraw/zinc/19/87/65/222198765.db2.gz VWSNGEGXWYURRL-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000375053877 418596217 /nfs/dbraw/zinc/59/62/17/418596217.db2.gz IJANSJJBAVLURK-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375031284 418591830 /nfs/dbraw/zinc/59/18/30/418591830.db2.gz NPCGQTGCLAWNHP-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO C[C@](O)(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614013 418663150 /nfs/dbraw/zinc/66/31/50/418663150.db2.gz SXPBEALEFKPULM-ONGXEEELSA-N 1 1 322.287 1.742 20 5 DDBDMO C[C@](O)(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614013 418663153 /nfs/dbraw/zinc/66/31/53/418663153.db2.gz SXPBEALEFKPULM-ONGXEEELSA-N 1 1 322.287 1.742 20 5 DDBDMO CNc1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000388640047 418747091 /nfs/dbraw/zinc/74/70/91/418747091.db2.gz MTCGQDRNOWURPR-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364933211 418824693 /nfs/dbraw/zinc/82/46/93/418824693.db2.gz LOBNYOKQEAERMX-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000365655245 418890177 /nfs/dbraw/zinc/89/01/77/418890177.db2.gz IHTQXHIZRLQKBK-JRFBKZHLSA-N 1 1 301.346 1.676 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417953209 419415840 /nfs/dbraw/zinc/41/58/40/419415840.db2.gz ZDFZSAUQDOARHJ-OAHLLOKOSA-N 1 1 324.356 1.480 20 5 DDBDMO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915442 419368649 /nfs/dbraw/zinc/36/86/49/419368649.db2.gz HHQVQVAKCIJVMZ-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915442 419368653 /nfs/dbraw/zinc/36/86/53/419368653.db2.gz HHQVQVAKCIJVMZ-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420936524 419370860 /nfs/dbraw/zinc/37/08/60/419370860.db2.gz ITWSWATYCPCXEL-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420936524 419370866 /nfs/dbraw/zinc/37/08/66/419370866.db2.gz ITWSWATYCPCXEL-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411906159 419464964 /nfs/dbraw/zinc/46/49/64/419464964.db2.gz NMPRTDKMENSEHL-ZDUSSCGKSA-N 1 1 307.350 1.131 20 5 DDBDMO COC(=O)[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411910615 419473965 /nfs/dbraw/zinc/47/39/65/419473965.db2.gz SLBXIWUVPZYWHL-JSGCOSHPSA-N 1 1 321.377 1.692 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000421707887 419692545 /nfs/dbraw/zinc/69/25/45/419692545.db2.gz YOQZIVPRJXSWGK-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412088469 419644597 /nfs/dbraw/zinc/64/45/97/419644597.db2.gz WSENGSQXTKWRBH-GFCCVEGCSA-N 1 1 310.375 1.933 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1([NH3+])CCC1 ZINC000414883995 419859288 /nfs/dbraw/zinc/85/92/88/419859288.db2.gz VKCCEXGZRCBIPG-LLVKDONJSA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCC1 ZINC000414883995 419859294 /nfs/dbraw/zinc/85/92/94/419859294.db2.gz VKCCEXGZRCBIPG-LLVKDONJSA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988698 419959098 /nfs/dbraw/zinc/95/90/98/419959098.db2.gz ARZCVJZOSYXDDJ-IPYPFGDCSA-N 1 1 307.398 1.453 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000429021287 419964024 /nfs/dbraw/zinc/96/40/24/419964024.db2.gz PSNWQGQYJUZGEN-MRXNPFEDSA-N 1 1 315.377 1.999 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000429167330 419981054 /nfs/dbraw/zinc/98/10/54/419981054.db2.gz LAOWFCNKUDSJEJ-UHFFFAOYSA-N 1 1 322.365 1.429 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429695774 420038479 /nfs/dbraw/zinc/03/84/79/420038479.db2.gz IGIJXLLQGVAEKF-HNNXBMFYSA-N 1 1 308.334 1.483 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@H]2C[NH2+]CCCO2)n1 ZINC000423493214 420062451 /nfs/dbraw/zinc/06/24/51/420062451.db2.gz PPHYMRREQARMEF-MGPQQGTHSA-N 1 1 323.397 1.243 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606512 420328964 /nfs/dbraw/zinc/32/89/64/420328964.db2.gz XJJSHJREMYWIDB-NSHDSACASA-N 1 1 306.366 1.980 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425355468 420362055 /nfs/dbraw/zinc/36/20/55/420362055.db2.gz LTVWAGOZHLZUCL-LLVKDONJSA-N 1 1 303.322 1.711 20 5 DDBDMO CO[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417025 420378532 /nfs/dbraw/zinc/37/85/32/420378532.db2.gz MCMKCXUHJTZZNE-TZMCWYRMSA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416493203 420392688 /nfs/dbraw/zinc/39/26/88/420392688.db2.gz CXVPPMXMZNOPII-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO C[N@@H+](C[C@@H](O)CNCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569876 782027545 /nfs/dbraw/zinc/02/75/45/782027545.db2.gz LGYHYTVYHLCQGT-ZDUSSCGKSA-N 1 1 308.382 1.051 20 5 DDBDMO CN(C[C@@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569876 782027551 /nfs/dbraw/zinc/02/75/51/782027551.db2.gz LGYHYTVYHLCQGT-ZDUSSCGKSA-N 1 1 308.382 1.051 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)nc1 ZINC000438096542 420438929 /nfs/dbraw/zinc/43/89/29/420438929.db2.gz OWDGXCZLZIKYRK-OLZOCXBDSA-N 1 1 306.366 1.903 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000457051340 420597396 /nfs/dbraw/zinc/59/73/96/420597396.db2.gz HXDQPWLIUTZNSP-UHFFFAOYSA-N 1 1 308.338 1.300 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000441692432 420659582 /nfs/dbraw/zinc/65/95/82/420659582.db2.gz TUCRKFAXGKSFBY-INWMFGNUSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452789159 420662010 /nfs/dbraw/zinc/66/20/10/420662010.db2.gz AFWAGTRNKJGULS-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000492892024 420701261 /nfs/dbraw/zinc/70/12/61/420701261.db2.gz ODMTVUXGGOZUJS-OAHLLOKOSA-N 1 1 318.377 1.750 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC[NH3+])C1 ZINC000443078023 420742776 /nfs/dbraw/zinc/74/27/76/420742776.db2.gz VVVDAVACYRRMRL-QWHCGFSZSA-N 1 1 320.393 1.983 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382639 421151215 /nfs/dbraw/zinc/15/12/15/421151215.db2.gz BQZFXQODBQHFQK-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382639 421151227 /nfs/dbraw/zinc/15/12/27/421151227.db2.gz BQZFXQODBQHFQK-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382639 421151230 /nfs/dbraw/zinc/15/12/30/421151230.db2.gz BQZFXQODBQHFQK-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000524783285 421273674 /nfs/dbraw/zinc/27/36/74/421273674.db2.gz FTGMFNKPELCJOC-WCQYABFASA-N 1 1 306.366 1.877 20 5 DDBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000551042176 421526351 /nfs/dbraw/zinc/52/63/51/421526351.db2.gz KEPOQXLXQVPQHE-UHFFFAOYSA-N 1 1 321.377 1.987 20 5 DDBDMO O=C1NCC[C@]12CCC[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000516875018 421575328 /nfs/dbraw/zinc/57/53/28/421575328.db2.gz BIXMRMJCNIHQLY-OAHLLOKOSA-N 1 1 305.334 1.328 20 5 DDBDMO CC1(C)C[NH+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000552865132 421595564 /nfs/dbraw/zinc/59/55/64/421595564.db2.gz BJXIFBULVDUNFH-UHFFFAOYSA-N 1 1 306.366 1.465 20 5 DDBDMO CC(C)Oc1nc(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000569471061 421626455 /nfs/dbraw/zinc/62/64/55/421626455.db2.gz GIZXLLJZHXIPJW-UHFFFAOYSA-N 1 1 324.381 1.911 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518026772 421637876 /nfs/dbraw/zinc/63/78/76/421637876.db2.gz FJNRDLUWOGRPPM-SNVBAGLBSA-N 1 1 309.370 1.340 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571162311 421692629 /nfs/dbraw/zinc/69/26/29/421692629.db2.gz PYFBGFASRWGYQX-IPYPFGDCSA-N 1 1 322.361 1.445 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000556806915 421739113 /nfs/dbraw/zinc/73/91/13/421739113.db2.gz MFFPTKUTXOTPBR-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000556806915 421739116 /nfs/dbraw/zinc/73/91/16/421739116.db2.gz MFFPTKUTXOTPBR-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558737214 421823702 /nfs/dbraw/zinc/82/37/02/421823702.db2.gz WVIJNNUSZKMPKN-UHFFFAOYSA-N 1 1 309.370 1.510 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000582098118 422106859 /nfs/dbraw/zinc/10/68/59/422106859.db2.gz XFOMUTWEMQWSBS-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000582098118 422106865 /nfs/dbraw/zinc/10/68/65/422106865.db2.gz XFOMUTWEMQWSBS-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO COC(C)(C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574940144 422221443 /nfs/dbraw/zinc/22/14/43/422221443.db2.gz WPKWGEVLDLEISV-GFCCVEGCSA-N 1 1 312.366 1.691 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201833 422330156 /nfs/dbraw/zinc/33/01/56/422330156.db2.gz WDTKQPMHNPKIDS-TUAOUCFPSA-N 1 1 308.334 1.512 20 5 DDBDMO C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000578451065 422572941 /nfs/dbraw/zinc/57/29/41/422572941.db2.gz SYVBVEFIKDJTGV-UHFFFAOYSA-N 1 1 307.398 1.742 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000341978026 271265264 /nfs/dbraw/zinc/26/52/64/271265264.db2.gz XFMBTZBXLBURAG-ZBFHGGJFSA-N 1 1 322.361 1.589 20 5 DDBDMO O=C1OCC[C@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177648968 275026992 /nfs/dbraw/zinc/02/69/92/275026992.db2.gz LCEYIQPJKZTMJK-CYBMUJFWSA-N 1 1 319.361 1.670 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000284887880 277121709 /nfs/dbraw/zinc/12/17/09/277121709.db2.gz GWNNXUMCCNJIDR-UONOGXRCSA-N 1 1 317.349 1.380 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408056059 277152281 /nfs/dbraw/zinc/15/22/81/277152281.db2.gz CIYUCHIIYSYRMJ-KBPBESRZSA-N 1 1 323.324 1.279 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000286002004 277179940 /nfs/dbraw/zinc/17/99/40/277179940.db2.gz ZAJJBUZCMFAFCU-UONOGXRCSA-N 1 1 305.334 1.140 20 5 DDBDMO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193407616 278373327 /nfs/dbraw/zinc/37/33/27/278373327.db2.gz WSQAGDWVZYWXJI-WPRPVWTQSA-N 1 1 317.342 1.010 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H](C)[NH+]1CCOCC1 ZINC000264187218 279556053 /nfs/dbraw/zinc/55/60/53/279556053.db2.gz BVPFWGWOYKKRHJ-UWVGGRQHSA-N 1 1 321.337 1.652 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000269790127 280189979 /nfs/dbraw/zinc/18/99/79/280189979.db2.gz GFXFJROLGJPIJL-LLVKDONJSA-N 1 1 309.370 1.477 20 5 DDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261746500 294422119 /nfs/dbraw/zinc/42/21/19/294422119.db2.gz OQDMUYAUXDNCTE-VIFPVBQESA-N 1 1 321.362 1.177 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000368596849 301062056 /nfs/dbraw/zinc/06/20/56/301062056.db2.gz WFOKGLZMQIUMCF-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370044619 301264694 /nfs/dbraw/zinc/26/46/94/301264694.db2.gz FQRNQKQOVVRJCI-UPJWGTAASA-N 1 1 305.382 1.244 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000370163941 301286320 /nfs/dbraw/zinc/28/63/20/301286320.db2.gz UURHDVPYWKHEFK-SYAUCNOPSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370163941 301286322 /nfs/dbraw/zinc/28/63/22/301286322.db2.gz UURHDVPYWKHEFK-SYAUCNOPSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370163941 301286324 /nfs/dbraw/zinc/28/63/24/301286324.db2.gz UURHDVPYWKHEFK-SYAUCNOPSA-N 1 1 317.389 1.678 20 5 DDBDMO COc1ccc(C[NH+]2CCC(CO)(OC)CC2)cc1[N+](=O)[O-] ZINC000401752128 302373149 /nfs/dbraw/zinc/37/31/49/302373149.db2.gz OQJKTUWWMMDGJR-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO CC[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531025998 303226022 /nfs/dbraw/zinc/22/60/22/303226022.db2.gz SHBZZADJFVZNDX-BXUZGUMPSA-N 1 1 317.345 1.959 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000536608802 303365690 /nfs/dbraw/zinc/36/56/90/303365690.db2.gz RRAFJVGRAVLPBN-VXGBXAGGSA-N 1 1 321.377 1.697 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362068726 307012612 /nfs/dbraw/zinc/01/26/12/307012612.db2.gz CPMRGUWYRXHPAV-RYUDHWBXSA-N 1 1 307.350 1.118 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182779 307060798 /nfs/dbraw/zinc/06/07/98/307060798.db2.gz IQJICXBJMOYVQU-VXGBXAGGSA-N 1 1 318.377 1.842 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920458 307233099 /nfs/dbraw/zinc/23/30/99/307233099.db2.gz NRMMBEIURUTKPK-BZPMIXESSA-N 1 1 310.354 1.060 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920458 307233100 /nfs/dbraw/zinc/23/31/00/307233100.db2.gz NRMMBEIURUTKPK-BZPMIXESSA-N 1 1 310.354 1.060 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC3(CCOCC3)CC2)n1 ZINC000377250228 307266939 /nfs/dbraw/zinc/26/69/39/307266939.db2.gz MOVDLFAOVZVQLE-UHFFFAOYSA-N 1 1 310.354 1.063 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000408028068 307298387 /nfs/dbraw/zinc/29/83/87/307298387.db2.gz CJENSKMOUNEANE-UWVGGRQHSA-N 1 1 323.378 1.213 20 5 DDBDMO CC[NH2+]CCCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000571991802 308207629 /nfs/dbraw/zinc/20/76/29/308207629.db2.gz WIUHMUMYSFGFCB-LBPRGKRZSA-N 1 1 308.382 1.901 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488733444 484216562 /nfs/dbraw/zinc/21/65/62/484216562.db2.gz JJHVGGFPYLKBLG-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488733444 484216566 /nfs/dbraw/zinc/21/65/66/484216566.db2.gz JJHVGGFPYLKBLG-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000434699913 533793439 /nfs/dbraw/zinc/79/34/39/533793439.db2.gz PCULDAGAXRRPHI-CYBMUJFWSA-N 1 1 323.393 1.756 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330918569 534104526 /nfs/dbraw/zinc/10/45/26/534104526.db2.gz XMDBFEPJPFLFJU-RYUDHWBXSA-N 1 1 307.350 1.573 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2c[nH+]cn2C)c1 ZINC000302131837 534245171 /nfs/dbraw/zinc/24/51/71/534245171.db2.gz KOQSDZKHUBJIKK-UHFFFAOYSA-N 1 1 304.306 1.770 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000299370967 534630485 /nfs/dbraw/zinc/63/04/85/534630485.db2.gz RMFLSAKBULCWSV-UHFFFAOYSA-N 1 1 305.334 1.280 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000330832857 527827273 /nfs/dbraw/zinc/82/72/73/527827273.db2.gz VKJCIBVOVSVOEE-MFKMUULPSA-N 1 1 321.381 1.374 20 5 DDBDMO CC[N@@H+](CC(C)(C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305721686 527954449 /nfs/dbraw/zinc/95/44/49/527954449.db2.gz ILSWDPWLMXLFFI-AWEZNQCLSA-N 1 1 321.377 1.793 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@](CO)(COC)C2)ccc1[N+](=O)[O-] ZINC000451940465 528266615 /nfs/dbraw/zinc/26/66/15/528266615.db2.gz YHGSAABZGIAQAQ-INIZCTEOSA-N 1 1 324.377 1.824 20 5 DDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000825465068 607821717 /nfs/dbraw/zinc/82/17/17/607821717.db2.gz HIGFCIVDFCAILP-SNVBAGLBSA-N 1 1 317.353 1.305 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749964590 700195504 /nfs/dbraw/zinc/19/55/04/700195504.db2.gz QJWJZPYRTNKTPX-NSHDSACASA-N 1 1 305.338 1.574 20 5 DDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000776604706 698125855 /nfs/dbraw/zinc/12/58/55/698125855.db2.gz FDFSJJPFMMKITK-QWRGUYRKSA-N 1 1 308.256 1.483 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000776604706 698125857 /nfs/dbraw/zinc/12/58/57/698125857.db2.gz FDFSJJPFMMKITK-QWRGUYRKSA-N 1 1 308.256 1.483 20 5 DDBDMO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000750066378 700202000 /nfs/dbraw/zinc/20/20/00/700202000.db2.gz ISYXXUOBHMDGHR-JKSUJKDBSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000750066378 700202001 /nfs/dbraw/zinc/20/20/01/700202001.db2.gz ISYXXUOBHMDGHR-JKSUJKDBSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000750066378 700202003 /nfs/dbraw/zinc/20/20/03/700202003.db2.gz ISYXXUOBHMDGHR-JKSUJKDBSA-N 1 1 305.378 1.797 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000750094035 700203514 /nfs/dbraw/zinc/20/35/14/700203514.db2.gz MMXWKXNHSIZDKF-RYUDHWBXSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000750094035 700203517 /nfs/dbraw/zinc/20/35/17/700203517.db2.gz MMXWKXNHSIZDKF-RYUDHWBXSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c2nonc21 ZINC000777801580 698223094 /nfs/dbraw/zinc/22/30/94/698223094.db2.gz HHDDOICTXJGPQW-MRVPVSSYSA-N 1 1 300.278 1.754 20 5 DDBDMO COc1cc(C[NH2+]C[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000788977267 699352531 /nfs/dbraw/zinc/35/25/31/699352531.db2.gz ADBIFTWBICMOMZ-JTQLQIEISA-N 1 1 310.228 1.322 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000761056549 700837150 /nfs/dbraw/zinc/83/71/50/700837150.db2.gz YADKAXYKHMQBIA-WCBMZHEXSA-N 1 1 308.260 1.036 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000767623602 701123965 /nfs/dbraw/zinc/12/39/65/701123965.db2.gz YCASCKNRIUTTFB-UHFFFAOYSA-N 1 1 321.337 1.665 20 5 DDBDMO COC(C)(C)CN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927188 701835507 /nfs/dbraw/zinc/83/55/07/701835507.db2.gz CQMKMTHSYLNHSQ-OAHLLOKOSA-N 1 1 309.366 1.652 20 5 DDBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576034 701898141 /nfs/dbraw/zinc/89/81/41/701898141.db2.gz HKIVUIJNQFUYRK-IACUBPJLSA-N 1 1 320.393 1.691 20 5 DDBDMO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576034 701898147 /nfs/dbraw/zinc/89/81/47/701898147.db2.gz HKIVUIJNQFUYRK-IACUBPJLSA-N 1 1 320.393 1.691 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840178182 702014761 /nfs/dbraw/zinc/01/47/61/702014761.db2.gz MUJIVPDTSUBCLR-GFCCVEGCSA-N 1 1 317.349 1.312 20 5 DDBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000840522207 702139493 /nfs/dbraw/zinc/13/94/93/702139493.db2.gz JSVLQJDQNNOTHN-UHFFFAOYSA-N 1 1 301.387 1.049 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318737 706648263 /nfs/dbraw/zinc/64/82/63/706648263.db2.gz ZXQJKCVZBWBBBP-IVMMDQJWSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866206837 706648628 /nfs/dbraw/zinc/64/86/28/706648628.db2.gz GDWRGYANPJTHCS-CMPLNLGQSA-N 1 1 304.350 1.224 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322300 706649788 /nfs/dbraw/zinc/64/97/88/706649788.db2.gz JGCPUVOPSIPDPY-ZWNOBZJWSA-N 1 1 307.350 1.693 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000812860300 702253378 /nfs/dbraw/zinc/25/33/78/702253378.db2.gz XPGYTMJWWFGZPB-YPMHNXCESA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000812860300 702253381 /nfs/dbraw/zinc/25/33/81/702253381.db2.gz XPGYTMJWWFGZPB-YPMHNXCESA-N 1 1 316.304 1.578 20 5 DDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000842623180 702744412 /nfs/dbraw/zinc/74/44/12/702744412.db2.gz KMIDMSMANKTPJU-OAHLLOKOSA-N 1 1 302.334 1.515 20 5 DDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000842623180 702744413 /nfs/dbraw/zinc/74/44/13/702744413.db2.gz KMIDMSMANKTPJU-OAHLLOKOSA-N 1 1 302.334 1.515 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000843061135 702810537 /nfs/dbraw/zinc/81/05/37/702810537.db2.gz AAJPSUNNQKQVQC-INIZCTEOSA-N 1 1 323.393 1.065 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844446794 703032731 /nfs/dbraw/zinc/03/27/31/703032731.db2.gz JDEVZDYEWOZXNR-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844446794 703032734 /nfs/dbraw/zinc/03/27/34/703032734.db2.gz JDEVZDYEWOZXNR-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[N@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000844740160 703066694 /nfs/dbraw/zinc/06/66/94/703066694.db2.gz INNXDEZEDNUMSC-OAHLLOKOSA-N 1 1 315.377 1.608 20 5 DDBDMO C[N@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844743491 703067418 /nfs/dbraw/zinc/06/74/18/703067418.db2.gz YMZBSWXSTSUGFG-OAHLLOKOSA-N 1 1 315.377 1.608 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571939 706721930 /nfs/dbraw/zinc/72/19/30/706721930.db2.gz USADZQFHIBHPLU-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572790 706722767 /nfs/dbraw/zinc/72/27/67/706722767.db2.gz RIDSMFZWWURFQI-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845733413 703195127 /nfs/dbraw/zinc/19/51/27/703195127.db2.gz ALPHFQVZBXTRCS-GFCCVEGCSA-N 1 1 324.381 1.906 20 5 DDBDMO CN1C[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846921016 703351939 /nfs/dbraw/zinc/35/19/39/703351939.db2.gz OHDNONXBUJAWFG-ZIAGYGMSSA-N 1 1 307.350 1.181 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848350705 703541771 /nfs/dbraw/zinc/54/17/71/703541771.db2.gz SJYDPIRJNICHTI-KGLIPLIRSA-N 1 1 318.377 1.924 20 5 DDBDMO C[NH2+][C@@H](C)c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000848629225 703570236 /nfs/dbraw/zinc/57/02/36/703570236.db2.gz XCBGSXGBLJRZMO-QMMMGPOBSA-N 1 1 322.321 1.866 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)sc2c1 ZINC000848766842 703586245 /nfs/dbraw/zinc/58/62/45/703586245.db2.gz ZVEAEZIEQDHGDF-WDEREUQCSA-N 1 1 320.374 1.460 20 5 DDBDMO CC1(C)OC[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000851724457 703837352 /nfs/dbraw/zinc/83/73/52/703837352.db2.gz XHCPNCGOJRCJPO-ZDUSSCGKSA-N 1 1 321.377 1.868 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000853586438 704276386 /nfs/dbraw/zinc/27/63/86/704276386.db2.gz RMQXRUCMLFGDFL-DGCLKSJQSA-N 1 1 302.334 1.870 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855286450 704477458 /nfs/dbraw/zinc/47/74/58/704477458.db2.gz RRSZOPWPJBLCJX-JTQLQIEISA-N 1 1 306.366 1.780 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@@H+](CC)C1 ZINC000855491166 704487532 /nfs/dbraw/zinc/48/75/32/704487532.db2.gz PFVCDGSTDZZMED-JTQLQIEISA-N 1 1 307.354 1.128 20 5 DDBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000855733405 704499765 /nfs/dbraw/zinc/49/97/65/704499765.db2.gz SANVXIRGHJJKMT-BZUAXINKSA-N 1 1 317.389 1.427 20 5 DDBDMO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855733405 704499766 /nfs/dbraw/zinc/49/97/66/704499766.db2.gz SANVXIRGHJJKMT-BZUAXINKSA-N 1 1 317.389 1.427 20 5 DDBDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855733405 704499767 /nfs/dbraw/zinc/49/97/67/704499767.db2.gz SANVXIRGHJJKMT-BZUAXINKSA-N 1 1 317.389 1.427 20 5 DDBDMO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858435834 704710941 /nfs/dbraw/zinc/71/09/41/704710941.db2.gz UXTFIGKDAYFTIT-SKDRFNHKSA-N 1 1 305.338 1.295 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859888695 705031180 /nfs/dbraw/zinc/03/11/80/705031180.db2.gz JJPXQCLLLDAOGW-YSOBRWQISA-N 1 1 324.402 1.614 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874830010 705188180 /nfs/dbraw/zinc/18/81/80/705188180.db2.gz PRIKSHOALVPETQ-NEPJUHHUSA-N 1 1 319.365 1.340 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850725 705203204 /nfs/dbraw/zinc/20/32/04/705203204.db2.gz WFPULLZBCUORJU-GJZGRUSLSA-N 1 1 303.362 1.832 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000862792431 705799618 /nfs/dbraw/zinc/79/96/18/705799618.db2.gz VHPUCENWAHWFBS-LBPRGKRZSA-N 1 1 320.393 1.947 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000828338625 706162997 /nfs/dbraw/zinc/16/29/97/706162997.db2.gz PQGFHSAWHXGOOQ-SUNKGSAMSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000828338625 706163000 /nfs/dbraw/zinc/16/30/00/706163000.db2.gz PQGFHSAWHXGOOQ-SUNKGSAMSA-N 1 1 307.350 1.179 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000829010041 706272475 /nfs/dbraw/zinc/27/24/75/706272475.db2.gz ABBGIGRCSOONLT-PHIMTYICSA-N 1 1 322.321 1.778 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(NCCC[NH+]2CCOCC2)cc1F ZINC000865397149 706421123 /nfs/dbraw/zinc/42/11/23/706421123.db2.gz CXOOVZRIPZIJRS-UHFFFAOYSA-N 1 1 313.329 1.360 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880311371 706937746 /nfs/dbraw/zinc/93/77/46/706937746.db2.gz DJAIWTWQMRPDDY-IJEWVQPXSA-N 1 1 319.361 1.038 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425588 706970419 /nfs/dbraw/zinc/97/04/19/706970419.db2.gz GHGPZRGPWFLYBM-DOMZBBRYSA-N 1 1 310.350 1.709 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832955076 706998564 /nfs/dbraw/zinc/99/85/64/706998564.db2.gz ZHVXLQBETNKYLX-DOMZBBRYSA-N 1 1 323.393 1.865 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584090 707027132 /nfs/dbraw/zinc/02/71/32/707027132.db2.gz DWHFYUYSASOAIF-CQSZACIVSA-N 1 1 306.362 1.958 20 5 DDBDMO C[N@@H+](CCOC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000837412502 707640360 /nfs/dbraw/zinc/64/03/60/707640360.db2.gz IGXNEXFRERKTFY-UHFFFAOYSA-N 1 1 318.333 1.467 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882483476 707654118 /nfs/dbraw/zinc/65/41/18/707654118.db2.gz BGYXGWGPFYHXRA-ZDUSSCGKSA-N 1 1 317.349 1.155 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000882484461 707654839 /nfs/dbraw/zinc/65/48/39/707654839.db2.gz DCSSWWHBBJYKOF-LLVKDONJSA-N 1 1 323.349 1.193 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000882492889 707663364 /nfs/dbraw/zinc/66/33/64/707663364.db2.gz CPQYDFHWOJCGNZ-SOUVJXGZSA-N 1 1 303.362 1.909 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838908309 708001294 /nfs/dbraw/zinc/00/12/94/708001294.db2.gz CWORIUZASOCECA-OKILXGFUSA-N 1 1 320.345 1.923 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886207576 708714875 /nfs/dbraw/zinc/71/48/75/708714875.db2.gz GNZGGQIPUCGZPH-ZDUSSCGKSA-N 1 1 306.366 1.728 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886455717 708763305 /nfs/dbraw/zinc/76/33/05/708763305.db2.gz YYYNEXIHHCUABG-UHFFFAOYSA-N 1 1 317.349 1.861 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCn3nncc3C2)cc1 ZINC000886455717 708763307 /nfs/dbraw/zinc/76/33/07/708763307.db2.gz YYYNEXIHHCUABG-UHFFFAOYSA-N 1 1 317.349 1.861 20 5 DDBDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839774 708858828 /nfs/dbraw/zinc/85/88/28/708858828.db2.gz LVBXBWGPVGWLNV-BPLDGKMQSA-N 1 1 320.393 1.708 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887930411 709168287 /nfs/dbraw/zinc/16/82/87/709168287.db2.gz HQQALZDXIMKLKN-ZUZCIYMTSA-N 1 1 321.381 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887930411 709168291 /nfs/dbraw/zinc/16/82/91/709168291.db2.gz HQQALZDXIMKLKN-ZUZCIYMTSA-N 1 1 321.381 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887930411 709168293 /nfs/dbraw/zinc/16/82/93/709168293.db2.gz HQQALZDXIMKLKN-ZUZCIYMTSA-N 1 1 321.381 1.465 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCN(C)C)CC1 ZINC000891783329 710294043 /nfs/dbraw/zinc/29/40/43/710294043.db2.gz DRWGTASJJQSDLR-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891897638 710321403 /nfs/dbraw/zinc/32/14/03/710321403.db2.gz MFQKDOIZHORZBC-GFCCVEGCSA-N 1 1 310.402 1.014 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000913289229 713192490 /nfs/dbraw/zinc/19/24/90/713192490.db2.gz KJYHKQKYNAOAOR-KBPBESRZSA-N 1 1 307.354 1.040 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000893386502 710628267 /nfs/dbraw/zinc/62/82/67/710628267.db2.gz VIFYRYXUALODBZ-GFCCVEGCSA-N 1 1 302.371 1.476 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000928444033 713198437 /nfs/dbraw/zinc/19/84/37/713198437.db2.gz IJXRACWCVXEBRK-BXKDBHETSA-N 1 1 311.313 1.322 20 5 DDBDMO COc1c(O)ccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893668093 710769761 /nfs/dbraw/zinc/76/97/61/710769761.db2.gz CXBDJEYSERJQBN-QWRGUYRKSA-N 1 1 309.366 1.833 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637829 710832963 /nfs/dbraw/zinc/83/29/63/710832963.db2.gz JTIILFKOGSSESI-KGLIPLIRSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637829 710832968 /nfs/dbraw/zinc/83/29/68/710832968.db2.gz JTIILFKOGSSESI-KGLIPLIRSA-N 1 1 317.349 1.920 20 5 DDBDMO COc1cc([C@H](C)[NH2+]CC(=O)NCC2CC2)cc([N+](=O)[O-])c1 ZINC000903146571 711047574 /nfs/dbraw/zinc/04/75/74/711047574.db2.gz HOYXSOFMWKUPGZ-JTQLQIEISA-N 1 1 307.350 1.780 20 5 DDBDMO COc1cc([C@@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154145 711049622 /nfs/dbraw/zinc/04/96/22/711049622.db2.gz TVNDCMKFHJZYMU-ABAIWWIYSA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903154145 711049625 /nfs/dbraw/zinc/04/96/25/711049625.db2.gz TVNDCMKFHJZYMU-ABAIWWIYSA-N 1 1 309.366 1.321 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894997043 711357863 /nfs/dbraw/zinc/35/78/63/711357863.db2.gz LSVBHURPCGGWGZ-LURJTMIESA-N 1 1 316.243 1.580 20 5 DDBDMO COC(=O)/C=C\c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895777741 711604143 /nfs/dbraw/zinc/60/41/43/711604143.db2.gz WVGVSDPGOHAWBY-RNZFLTOJSA-N 1 1 305.334 1.897 20 5 DDBDMO COCC1C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000895969905 711658133 /nfs/dbraw/zinc/65/81/33/711658133.db2.gz ROMPRZVUULEFIS-UHFFFAOYSA-N 1 1 324.333 1.225 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896257517 711697332 /nfs/dbraw/zinc/69/73/32/711697332.db2.gz GSUBNGXWRSUAPB-CYBMUJFWSA-N 1 1 321.377 1.662 20 5 DDBDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896517476 711736750 /nfs/dbraw/zinc/73/67/50/711736750.db2.gz GLBDMMNOEJRXKV-ZDUSSCGKSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1nc(NC[C@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521178 711737606 /nfs/dbraw/zinc/73/76/06/711737606.db2.gz HQQRYKYSNLDYGH-CYBMUJFWSA-N 1 1 306.366 1.963 20 5 DDBDMO [NH3+]CC[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000904404929 711853679 /nfs/dbraw/zinc/85/36/79/711853679.db2.gz BJJSQXSJNKMFRV-NSHDSACASA-N 1 1 307.350 1.537 20 5 DDBDMO C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906318150 712296508 /nfs/dbraw/zinc/29/65/08/712296508.db2.gz UVNWDEGJQSJJQY-LBPRGKRZSA-N 1 1 320.393 1.265 20 5 DDBDMO Cc1[nH+]ccn1-c1ccc(CNc2c([N+](=O)[O-])ncn2C)cn1 ZINC000917093448 713482177 /nfs/dbraw/zinc/48/21/77/713482177.db2.gz SDCQCGLVYZRJFN-UHFFFAOYSA-N 1 1 313.321 1.830 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000917789285 713513910 /nfs/dbraw/zinc/51/39/10/713513910.db2.gz MLOUYNZUJNVMGO-BXUZGUMPSA-N 1 1 322.365 1.365 20 5 DDBDMO Cn1ccc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000932133028 714267744 /nfs/dbraw/zinc/26/77/44/714267744.db2.gz NRKFHUUPRUPKFJ-GFCCVEGCSA-N 1 1 304.354 1.404 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371046 714331738 /nfs/dbraw/zinc/33/17/38/714331738.db2.gz URIYHHQVQCWIBF-FOCJUVANSA-N 1 1 323.393 1.311 20 5 DDBDMO CC(C)(C)c1cc2n(n1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000932616296 714367687 /nfs/dbraw/zinc/36/76/87/714367687.db2.gz CABXDNVQJFYKNR-UHFFFAOYSA-N 1 1 318.381 1.801 20 5 DDBDMO CC(C)(C)c1cc2n(n1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000932616296 714367689 /nfs/dbraw/zinc/36/76/89/714367689.db2.gz CABXDNVQJFYKNR-UHFFFAOYSA-N 1 1 318.381 1.801 20 5 DDBDMO C[C@]12C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933707303 714652508 /nfs/dbraw/zinc/65/25/08/714652508.db2.gz YCSRAVJDXLUOAI-QVKMIARZSA-N 1 1 318.377 1.296 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000925419971 714850313 /nfs/dbraw/zinc/85/03/13/714850313.db2.gz RTXDAHNQVXYQJK-HNNXBMFYSA-N 1 1 318.377 1.973 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164768838 721292245 /nfs/dbraw/zinc/29/22/45/721292245.db2.gz HWHTUEZVTIVJIJ-UHFFFAOYSA-N 1 1 318.377 1.459 20 5 DDBDMO CC[N+](C)(C)Cc1ccccc1-n1c(C)ncc(CN)c1=N ZINC001167674833 735344988 /nfs/dbraw/zinc/34/49/88/735344988.db2.gz XMSDMVOFWKIFEP-UHFFFAOYSA-N 1 1 300.430 1.715 20 5 DDBDMO COC(=O)c1cnc(N2CCc3[nH+]ccn3CC2)c([N+](=O)[O-])c1 ZINC001167181722 732809508 /nfs/dbraw/zinc/80/95/08/732809508.db2.gz FMIXEPUSFSCHHG-UHFFFAOYSA-N 1 1 317.305 1.036 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063394 734368756 /nfs/dbraw/zinc/36/87/56/734368756.db2.gz ALERMNFYCMSRFS-LXTVHRRPSA-N 1 1 321.421 1.859 20 5 DDBDMO C[C@@H](c1nnc(N2CCC(c3c[nH+]cn3C)CC2)n1C)[N+](=O)[O-] ZINC001121297294 782448289 /nfs/dbraw/zinc/44/82/89/782448289.db2.gz ORCQSNRXUUIHNN-JTQLQIEISA-N 1 1 319.369 1.270 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775753 736853245 /nfs/dbraw/zinc/85/32/45/736853245.db2.gz MBGYBBTYKFYVER-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775753 736853247 /nfs/dbraw/zinc/85/32/47/736853247.db2.gz MBGYBBTYKFYVER-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775753 736853249 /nfs/dbraw/zinc/85/32/49/736853249.db2.gz MBGYBBTYKFYVER-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccccc1OC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936885 742844510 /nfs/dbraw/zinc/84/45/10/742844510.db2.gz WAVQAOLMWBKKQA-ZIAGYGMSSA-N 1 1 319.361 1.099 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(NCC3([NH+]4CCCC4)COC3)cn21 ZINC001168451560 745114271 /nfs/dbraw/zinc/11/42/71/745114271.db2.gz PCXDMQUSRPRWQK-UHFFFAOYSA-N 1 1 317.349 1.519 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001192490994 745795508 /nfs/dbraw/zinc/79/55/08/745795508.db2.gz XTNDZGZBUZBVPO-GHMZBOCLSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107321686 749799447 /nfs/dbraw/zinc/79/94/47/749799447.db2.gz JEZCSSBEIIXLJQ-SNAWJCMRSA-N 1 1 321.381 1.416 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000997772680 751269689 /nfs/dbraw/zinc/26/96/89/751269689.db2.gz QCLWHLLYFBDSMZ-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169011905 762178106 /nfs/dbraw/zinc/17/81/06/762178106.db2.gz NGLQVFVMIOGKKA-ZJUUUORDSA-N 1 1 309.288 1.138 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017581 762198122 /nfs/dbraw/zinc/19/81/22/762198122.db2.gz AQTYZTMBLRVMQE-IHRRRGAJSA-N 1 1 322.409 1.801 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017581 762198125 /nfs/dbraw/zinc/19/81/25/762198125.db2.gz AQTYZTMBLRVMQE-IHRRRGAJSA-N 1 1 322.409 1.801 20 5 DDBDMO O=C([C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022487 762201075 /nfs/dbraw/zinc/20/10/75/762201075.db2.gz CEVKWGRZQQAQID-KFWWJZLASA-N 1 1 309.410 1.766 20 5 DDBDMO CCOCc1nnn2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024846 762202474 /nfs/dbraw/zinc/20/24/74/762202474.db2.gz RNRAIWWWUDDCGA-OLZOCXBDSA-N 1 1 323.397 1.466 20 5 DDBDMO Cc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052441 762206938 /nfs/dbraw/zinc/20/69/38/762206938.db2.gz FXQUKIUJJHCXMG-BFHYXJOUSA-N 1 1 306.366 1.684 20 5 DDBDMO O=C(NCc1ccc2c(c1)C[N@H+](CC1CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264692 759369851 /nfs/dbraw/zinc/36/98/51/759369851.db2.gz OXBNPFMDSKRKAU-HZPDHXFCSA-N 1 1 315.373 1.694 20 5 DDBDMO O=C(NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001054264692 759369862 /nfs/dbraw/zinc/36/98/62/759369862.db2.gz OXBNPFMDSKRKAU-HZPDHXFCSA-N 1 1 315.373 1.694 20 5 DDBDMO O=C(NCc1ccc2c(c1)C[N@H+](CC1CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001054264692 759369873 /nfs/dbraw/zinc/36/98/73/759369873.db2.gz OXBNPFMDSKRKAU-HZPDHXFCSA-N 1 1 315.373 1.694 20 5 DDBDMO O=C(C1CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048637310 769606965 /nfs/dbraw/zinc/60/69/65/769606965.db2.gz BDBULAYHTQGNCQ-GASCZTMLSA-N 1 1 315.373 1.895 20 5 DDBDMO CCC(CC)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001135855732 771753956 /nfs/dbraw/zinc/75/39/56/771753956.db2.gz GQMBEJQKTYZMKB-UHFFFAOYSA-N 1 1 311.386 1.360 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC001136342059 771942300 /nfs/dbraw/zinc/94/23/00/771942300.db2.gz BPLGQPXBJKAXBL-VIFPVBQESA-N 1 1 311.313 1.424 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093788039 775079609 /nfs/dbraw/zinc/07/96/09/775079609.db2.gz UGBYLSWBLVSWQC-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094008638 775325339 /nfs/dbraw/zinc/32/53/39/775325339.db2.gz RZLUCXOKZXQBPL-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO Cc1cnc(N(C)CCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001100149918 775735807 /nfs/dbraw/zinc/73/58/07/775735807.db2.gz VOPUTGUCGYHJKJ-UHFFFAOYSA-N 1 1 323.397 1.191 20 5 DDBDMO Cc1cc(NCCCNC(=O)C[N@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC001094456774 775895318 /nfs/dbraw/zinc/89/53/18/775895318.db2.gz QVYXQTGYYXARNT-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094573755 776048349 /nfs/dbraw/zinc/04/83/49/776048349.db2.gz GEEVEZIRRWHUBH-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@H]21 ZINC001171815427 776482751 /nfs/dbraw/zinc/48/27/51/776482751.db2.gz VUEBVRQGQAEVSM-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233802 777065217 /nfs/dbraw/zinc/06/52/17/777065217.db2.gz YXFMNWGBDDMDQN-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233802 777065221 /nfs/dbraw/zinc/06/52/21/777065221.db2.gz YXFMNWGBDDMDQN-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001173235013 777065309 /nfs/dbraw/zinc/06/53/09/777065309.db2.gz VRLCJZFGPUTVIN-DOMZBBRYSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001173235013 777065315 /nfs/dbraw/zinc/06/53/15/777065315.db2.gz VRLCJZFGPUTVIN-DOMZBBRYSA-N 1 1 319.361 1.069 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243243 778092882 /nfs/dbraw/zinc/09/28/82/778092882.db2.gz NJRVTAPAOYXVHT-QMTHXVAHSA-N 1 1 324.337 1.602 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243243 778092890 /nfs/dbraw/zinc/09/28/90/778092890.db2.gz NJRVTAPAOYXVHT-QMTHXVAHSA-N 1 1 324.337 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778474 778235584 /nfs/dbraw/zinc/23/55/84/778235584.db2.gz VNKUXGPAFFOHOV-AEGPPILISA-N 1 1 309.341 1.356 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778474 778235590 /nfs/dbraw/zinc/23/55/90/778235590.db2.gz VNKUXGPAFFOHOV-AEGPPILISA-N 1 1 309.341 1.356 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001116230212 780487229 /nfs/dbraw/zinc/48/72/29/780487229.db2.gz URPUVMHRCBKOMS-WDEREUQCSA-N 1 1 318.377 1.992 20 5 DDBDMO CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371839 837933300 /nfs/dbraw/zinc/93/33/00/837933300.db2.gz XBMHNGDKYFJHJK-VZLFFANISA-N 1 1 303.362 1.413 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863867 862524144 /nfs/dbraw/zinc/52/41/44/862524144.db2.gz JVPRZNIRYYQNEO-OLZOCXBDSA-N 1 1 305.382 1.476 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020493 859529846 /nfs/dbraw/zinc/52/98/46/859529846.db2.gz OOAJUAZQBRSMDJ-XUJVJEKNSA-N 1 1 318.377 1.160 20 5 DDBDMO N=C(NCCCC[NH3+])Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001157095999 863571776 /nfs/dbraw/zinc/57/17/76/863571776.db2.gz FBFLBNATKDFPRD-UHFFFAOYSA-N 1 1 302.338 1.818 20 5 DDBDMO Cc1c(C)c(NCC2([NH+]3CCCC3)COC2)ncc1[N+](=O)[O-] ZINC001157654747 864019690 /nfs/dbraw/zinc/01/96/90/864019690.db2.gz FJLONLSHRWICOL-UHFFFAOYSA-N 1 1 306.366 1.883 20 5 DDBDMO O=C(NCCC[NH2+]CCCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775583 864131661 /nfs/dbraw/zinc/13/16/61/864131661.db2.gz RFASPRQXVCCHDT-HUUCEWRRSA-N 1 1 321.377 1.217 20 5 DDBDMO [NH3+]Cc1ncn(-c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)n1 ZINC001157927854 864273827 /nfs/dbraw/zinc/27/38/27/864273827.db2.gz CWCNTWQADZICIH-UHFFFAOYSA-N 1 1 304.697 1.836 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160106857 865679932 /nfs/dbraw/zinc/67/99/32/865679932.db2.gz FHBIUJODZUDLTM-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO O=C(NCCC1=CC[N@H+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160106857 865679940 /nfs/dbraw/zinc/67/99/40/865679940.db2.gz FHBIUJODZUDLTM-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160106857 865679944 /nfs/dbraw/zinc/67/99/44/865679944.db2.gz FHBIUJODZUDLTM-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO Nc1nc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160724461 866071216 /nfs/dbraw/zinc/07/12/16/866071216.db2.gz LBZZQSCCFPMECE-QWRGUYRKSA-N 1 1 307.354 1.237 20 5 DDBDMO CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735054 866991643 /nfs/dbraw/zinc/99/16/43/866991643.db2.gz QRXYGJSPEKVOQF-HZPDHXFCSA-N 1 1 319.405 1.907 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001324580460 867372994 /nfs/dbraw/zinc/37/29/94/867372994.db2.gz MLGVWEUIYPRSNJ-IINYFYTJSA-N 1 1 304.350 1.413 20 5 DDBDMO CC[NH+](CC)CCNC(=N)Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001163125737 868130634 /nfs/dbraw/zinc/13/06/34/868130634.db2.gz IWKPSSRVMSLYTI-UHFFFAOYSA-N 1 1 310.358 1.276 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC([NH2+]C2COC2)C1 ZINC001164220658 869030720 /nfs/dbraw/zinc/03/07/20/869030720.db2.gz JWMXDFMVXREZJA-UHFFFAOYSA-N 1 1 300.318 1.320 20 5 DDBDMO [NH3+][C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC001164319869 869124163 /nfs/dbraw/zinc/12/41/63/869124163.db2.gz RKENWRITLYKCET-NSHDSACASA-N 1 1 309.276 1.711 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001338083932 869791465 /nfs/dbraw/zinc/79/14/65/869791465.db2.gz LTUGOHOVOAPTHT-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001338083932 869791469 /nfs/dbraw/zinc/79/14/69/869791469.db2.gz LTUGOHOVOAPTHT-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001339085893 870339096 /nfs/dbraw/zinc/33/90/96/870339096.db2.gz HMYUFMZTQLKAOI-MRXNPFEDSA-N 1 1 319.361 1.284 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1[NH2+]CCc2occc21 ZINC001339960907 870808614 /nfs/dbraw/zinc/80/86/14/870808614.db2.gz WLEVZKUQYZPULH-CQSZACIVSA-N 1 1 301.302 1.691 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCCCCF)CC1 ZINC001205224050 871440750 /nfs/dbraw/zinc/44/07/50/871440750.db2.gz KPDWAASKVQVXMP-ZIAGYGMSSA-N 1 1 315.389 1.620 20 5 DDBDMO NC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001308779491 871526991 /nfs/dbraw/zinc/52/69/91/871526991.db2.gz AUVYSGSPFUEQHC-CQSZACIVSA-N 1 1 300.318 1.349 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001310993120 871668055 /nfs/dbraw/zinc/66/80/55/871668055.db2.gz WWHAWJNIEZZPSV-UFGOTCBOSA-N 1 1 319.365 1.639 20 5 DDBDMO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001344479187 873017124 /nfs/dbraw/zinc/01/71/24/873017124.db2.gz PAFUHWLJXUOLKJ-GFCCVEGCSA-N 1 1 322.413 1.556 20 5 DDBDMO COC(=O)c1cccc(CO[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001223665094 881048712 /nfs/dbraw/zinc/04/87/12/881048712.db2.gz NIDPHJULPQINJZ-GFCCVEGCSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]1CC(=O)C2 ZINC001227744022 883153743 /nfs/dbraw/zinc/15/37/43/883153743.db2.gz CRXUNZOJYMMNGX-FZZIBODNSA-N 1 1 316.317 1.654 20 5 DDBDMO Cc1cc2[nH]c(O[C@@H](C)C[NH+]3CCOCC3)nc2cc1[N+](=O)[O-] ZINC001228676312 883611562 /nfs/dbraw/zinc/61/15/62/883611562.db2.gz ZIZVYUDURMVQCT-NSHDSACASA-N 1 1 320.349 1.879 20 5 DDBDMO C[N@@H+]1CCO[C@@H](COc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803518 883679001 /nfs/dbraw/zinc/67/90/01/883679001.db2.gz CCCAVUAMVZDFPE-SNVBAGLBSA-N 1 1 320.301 1.411 20 5 DDBDMO C[N@H+]1CCO[C@@H](COc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803518 883679009 /nfs/dbraw/zinc/67/90/09/883679009.db2.gz CCCAVUAMVZDFPE-SNVBAGLBSA-N 1 1 320.301 1.411 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cocn1)Cc1cccc([N+](=O)[O-])c1 ZINC001235716829 888910424 /nfs/dbraw/zinc/91/04/24/888910424.db2.gz UEQTULJLXHHZDI-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCNC3(CC[NH2+]CC3)C1)C2 ZINC001246608210 892735105 /nfs/dbraw/zinc/73/51/05/892735105.db2.gz YAIPCBBJVBSRGW-MRXNPFEDSA-N 1 1 316.405 1.089 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001254314850 896343362 /nfs/dbraw/zinc/34/33/62/896343362.db2.gz XMNGBKNQGAHVDJ-NSHDSACASA-N 1 1 315.395 1.445 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001254314850 896343375 /nfs/dbraw/zinc/34/33/75/896343375.db2.gz XMNGBKNQGAHVDJ-NSHDSACASA-N 1 1 315.395 1.445 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C(F)(F)F ZINC001254534730 896491276 /nfs/dbraw/zinc/49/12/76/896491276.db2.gz CBXBIZJJAJOOCO-VIFPVBQESA-N 1 1 319.283 1.794 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(CCCO)CC1)C2 ZINC001254592638 896521625 /nfs/dbraw/zinc/52/16/25/896521625.db2.gz DTSODPHWVMJUQW-INIZCTEOSA-N 1 1 305.378 1.062 20 5 DDBDMO CC(C)(C)[N@@H+](C[C@@H](O)CO)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592988 896522908 /nfs/dbraw/zinc/52/29/08/896522908.db2.gz IPXCIVTVGCXDFP-HUUCEWRRSA-N 1 1 308.378 1.516 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000278251553 214047355 /nfs/dbraw/zinc/04/73/55/214047355.db2.gz BYDSESARGILRDL-AOOOYVTPSA-N 1 1 308.313 1.759 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000295600027 529503939 /nfs/dbraw/zinc/50/39/39/529503939.db2.gz CFWJYJJAUYDOOA-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286592891 219071025 /nfs/dbraw/zinc/07/10/25/219071025.db2.gz VYDUGLHIOJPAPP-LLVKDONJSA-N 1 1 320.349 1.086 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286592891 219071027 /nfs/dbraw/zinc/07/10/27/219071027.db2.gz VYDUGLHIOJPAPP-LLVKDONJSA-N 1 1 320.349 1.086 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090009593 185277126 /nfs/dbraw/zinc/27/71/26/185277126.db2.gz KBSJGODASNMMGR-GOEBONIOSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090009593 185277127 /nfs/dbraw/zinc/27/71/27/185277127.db2.gz KBSJGODASNMMGR-GOEBONIOSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000090564069 185303838 /nfs/dbraw/zinc/30/38/38/185303838.db2.gz QXRBRMAWLGPDRJ-AWEZNQCLSA-N 1 1 308.334 1.467 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000090564069 185303839 /nfs/dbraw/zinc/30/38/39/185303839.db2.gz QXRBRMAWLGPDRJ-AWEZNQCLSA-N 1 1 308.334 1.467 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])nc1 ZINC000443894044 529846620 /nfs/dbraw/zinc/84/66/20/529846620.db2.gz GDRWPGQQEWXAPE-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO C[N@H+](CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000457168935 529883623 /nfs/dbraw/zinc/88/36/23/529883623.db2.gz OXANEOKTWFZXIW-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000457168935 529883624 /nfs/dbraw/zinc/88/36/24/529883624.db2.gz OXANEOKTWFZXIW-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)CC(C)(C)C ZINC000451787207 529939577 /nfs/dbraw/zinc/93/95/77/529939577.db2.gz JIRMTCMDTUNMDX-CYBMUJFWSA-N 1 1 311.382 1.485 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272655474 282318174 /nfs/dbraw/zinc/31/81/74/282318174.db2.gz QOENHQLPGOEZRN-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000284899854 282342868 /nfs/dbraw/zinc/34/28/68/282342868.db2.gz HOWHDNOUOACTJY-NXEZZACHSA-N 1 1 323.378 1.213 20 5 DDBDMO COC(C[N@@H+](CCCO)CCc1ccc([N+](=O)[O-])cc1)OC ZINC000272744342 210149604 /nfs/dbraw/zinc/14/96/04/210149604.db2.gz IRHUFTJPHXELQW-UHFFFAOYSA-N 1 1 312.366 1.441 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000616322133 362636483 /nfs/dbraw/zinc/63/64/83/362636483.db2.gz BVDOLXZZPMUOAH-GFCCVEGCSA-N 1 1 307.350 1.736 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279723182 215092797 /nfs/dbraw/zinc/09/27/97/215092797.db2.gz IZHYQCNXYGYLIX-GXFFZTMASA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279723182 215092799 /nfs/dbraw/zinc/09/27/99/215092799.db2.gz IZHYQCNXYGYLIX-GXFFZTMASA-N 1 1 307.350 1.625 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100143 219313026 /nfs/dbraw/zinc/31/30/26/219313026.db2.gz LIENOEOBFRFOQW-ZYHUDNBSSA-N 1 1 321.381 1.579 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000617405651 363090903 /nfs/dbraw/zinc/09/09/03/363090903.db2.gz JAEFVYIGTQDJIQ-LLVKDONJSA-N 1 1 307.354 1.025 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000064334119 352933594 /nfs/dbraw/zinc/93/35/94/352933594.db2.gz ZOLKBZIFPFNPDL-KBPBESRZSA-N 1 1 305.334 1.188 20 5 DDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000564957583 304030109 /nfs/dbraw/zinc/03/01/09/304030109.db2.gz QQCBHMMHDFSIGW-AWEZNQCLSA-N 1 1 310.329 1.410 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069111136 353145237 /nfs/dbraw/zinc/14/52/37/353145237.db2.gz MOBNYWNVOOTXNA-UHFFFAOYSA-N 1 1 324.381 1.613 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000069471731 353162347 /nfs/dbraw/zinc/16/23/47/353162347.db2.gz QQHNDUUYQQFNFF-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000074073620 353290030 /nfs/dbraw/zinc/29/00/30/353290030.db2.gz YQUWUWFWPGJNLU-UHFFFAOYSA-N 1 1 324.356 1.874 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332012029 234386818 /nfs/dbraw/zinc/38/68/18/234386818.db2.gz SGHRPCRYVRAJPQ-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000077965670 353498154 /nfs/dbraw/zinc/49/81/54/353498154.db2.gz DVFNYKCSQLALLL-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[NH+]1CCN(C)CC1 ZINC000092652815 353865843 /nfs/dbraw/zinc/86/58/43/353865843.db2.gz JRHLTFGYCGSAIR-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423232 354225336 /nfs/dbraw/zinc/22/53/36/354225336.db2.gz QHMBDNCOKOSXEB-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423232 354225338 /nfs/dbraw/zinc/22/53/38/354225338.db2.gz QHMBDNCOKOSXEB-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO C[N@@H+](C[C@@H](O)C1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708927 354470677 /nfs/dbraw/zinc/47/06/77/354470677.db2.gz FJOOCMTZJGLBQH-HUUCEWRRSA-N 1 1 319.361 1.403 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000588966442 354952447 /nfs/dbraw/zinc/95/24/47/354952447.db2.gz ZIMUGFGVIKAJEX-SWLSCSKDSA-N 1 1 310.350 1.039 20 5 DDBDMO COc1cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590011039 355040655 /nfs/dbraw/zinc/04/06/55/355040655.db2.gz GHOUWWSSBDIVIL-QMTHXVAHSA-N 1 1 309.341 1.878 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505193 355322319 /nfs/dbraw/zinc/32/23/19/355322319.db2.gz DOKXVNXAAOMFOI-RYUDHWBXSA-N 1 1 322.361 1.816 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205589 355537371 /nfs/dbraw/zinc/53/73/71/355537371.db2.gz DBOWGBVAMPIWTL-ZKYQVNSYSA-N 1 1 308.334 1.512 20 5 DDBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446779 355587009 /nfs/dbraw/zinc/58/70/09/355587009.db2.gz XCNPQBAADKEHJK-LSDHHAIUSA-N 1 1 320.393 1.829 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532024 355617111 /nfs/dbraw/zinc/61/71/11/355617111.db2.gz LYUNHNXBZMUJMA-CHWSQXEVSA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532024 355617115 /nfs/dbraw/zinc/61/71/15/355617115.db2.gz LYUNHNXBZMUJMA-CHWSQXEVSA-N 1 1 308.334 1.259 20 5 DDBDMO COCC1([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000593020076 355771948 /nfs/dbraw/zinc/77/19/48/355771948.db2.gz IQLDHVBIPNFMPQ-UHFFFAOYSA-N 1 1 308.334 1.992 20 5 DDBDMO COCC1([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000593020076 355771952 /nfs/dbraw/zinc/77/19/52/355771952.db2.gz IQLDHVBIPNFMPQ-UHFFFAOYSA-N 1 1 308.334 1.992 20 5 DDBDMO C[C@H](CO)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000593085770 355790214 /nfs/dbraw/zinc/79/02/14/355790214.db2.gz XCIYIGDTWRPSRF-GFCCVEGCSA-N 1 1 321.377 1.874 20 5 DDBDMO Cc1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593177489 355818068 /nfs/dbraw/zinc/81/80/68/355818068.db2.gz IEQFOHJHKCLBEV-CYBMUJFWSA-N 1 1 320.349 1.186 20 5 DDBDMO Cc1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593177489 355818072 /nfs/dbraw/zinc/81/80/72/355818072.db2.gz IEQFOHJHKCLBEV-CYBMUJFWSA-N 1 1 320.349 1.186 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463001 355893491 /nfs/dbraw/zinc/89/34/91/355893491.db2.gz JZVPSJWITSQPSW-CYBMUJFWSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463001 355893496 /nfs/dbraw/zinc/89/34/96/355893496.db2.gz JZVPSJWITSQPSW-CYBMUJFWSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463001 355893499 /nfs/dbraw/zinc/89/34/99/355893499.db2.gz JZVPSJWITSQPSW-CYBMUJFWSA-N 1 1 315.377 1.801 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594017220 356089273 /nfs/dbraw/zinc/08/92/73/356089273.db2.gz VQWCGWKJPHVLBY-KBPBESRZSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199311 356138371 /nfs/dbraw/zinc/13/83/71/356138371.db2.gz JTELFQXANUVOET-CHWSQXEVSA-N 1 1 321.381 1.233 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990795 356368861 /nfs/dbraw/zinc/36/88/61/356368861.db2.gz AITYRKXSKDFWNK-CYBMUJFWSA-N 1 1 321.377 1.940 20 5 DDBDMO CCCN1CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990795 356368865 /nfs/dbraw/zinc/36/88/65/356368865.db2.gz AITYRKXSKDFWNK-CYBMUJFWSA-N 1 1 321.377 1.940 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000595029781 356374350 /nfs/dbraw/zinc/37/43/50/356374350.db2.gz YNWJPIUWOGRKMZ-LBPRGKRZSA-N 1 1 323.393 1.711 20 5 DDBDMO Cc1noc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595288134 356433572 /nfs/dbraw/zinc/43/35/72/356433572.db2.gz JZUMXEOKOLNCJJ-LBPRGKRZSA-N 1 1 310.354 1.188 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000081556902 192290997 /nfs/dbraw/zinc/29/09/97/192290997.db2.gz CABBOCAVYDNVGV-JTQLQIEISA-N 1 1 323.349 1.275 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556133 192291641 /nfs/dbraw/zinc/29/16/41/192291641.db2.gz FHHCUHKBWNXXPX-NSHDSACASA-N 1 1 322.365 1.237 20 5 DDBDMO C[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)C1O ZINC000595743753 356631188 /nfs/dbraw/zinc/63/11/88/356631188.db2.gz QEGNBLJETLHARO-UWVGGRQHSA-N 1 1 304.350 1.920 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835112 356671500 /nfs/dbraw/zinc/67/15/00/356671500.db2.gz UNVHUHAKPXALEJ-STQMWFEESA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835112 356671502 /nfs/dbraw/zinc/67/15/02/356671502.db2.gz UNVHUHAKPXALEJ-STQMWFEESA-N 1 1 319.361 1.810 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cs1 ZINC000595866384 356684250 /nfs/dbraw/zinc/68/42/50/356684250.db2.gz LFNAITSJJSULQB-CYBMUJFWSA-N 1 1 311.407 1.687 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000596209646 356815455 /nfs/dbraw/zinc/81/54/55/356815455.db2.gz AQEBWQIVFPVDGI-UHFFFAOYSA-N 1 1 308.729 1.693 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596308692 356852881 /nfs/dbraw/zinc/85/28/81/356852881.db2.gz KWWSHGQXBROTPH-NSHDSACASA-N 1 1 306.366 1.978 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596541442 356912040 /nfs/dbraw/zinc/91/20/40/356912040.db2.gz GAHCMPYZCPUKJH-UHFFFAOYSA-N 1 1 309.370 1.621 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597717021 357299833 /nfs/dbraw/zinc/29/98/33/357299833.db2.gz WJUGKYMVSQIDGF-HNNXBMFYSA-N 1 1 321.381 1.195 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922516 357382345 /nfs/dbraw/zinc/38/23/45/357382345.db2.gz FKLRSAUMPFVPJU-GFCCVEGCSA-N 1 1 321.377 1.963 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000598511912 357610525 /nfs/dbraw/zinc/61/05/25/357610525.db2.gz UTWMPRFRLZQWBD-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000598511912 357610529 /nfs/dbraw/zinc/61/05/29/357610529.db2.gz UTWMPRFRLZQWBD-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000598590886 357644334 /nfs/dbraw/zinc/64/43/34/357644334.db2.gz RSDGKCQKFHOFTH-QWRGUYRKSA-N 1 1 320.349 1.815 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598559702 357631881 /nfs/dbraw/zinc/63/18/81/357631881.db2.gz YOEBPJLMWXUPBA-NSHDSACASA-N 1 1 307.354 1.170 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC1CC([NH+]2CCOCC2)C1 ZINC000599094471 357814368 /nfs/dbraw/zinc/81/43/68/357814368.db2.gz JKEKKEHKAIGROS-UHFFFAOYSA-N 1 1 309.370 1.395 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000598991209 357785759 /nfs/dbraw/zinc/78/57/59/357785759.db2.gz WHJMPUYCAMMIPT-NSHDSACASA-N 1 1 312.395 1.086 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000598991209 357785766 /nfs/dbraw/zinc/78/57/66/357785766.db2.gz WHJMPUYCAMMIPT-NSHDSACASA-N 1 1 312.395 1.086 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599176790 357840391 /nfs/dbraw/zinc/84/03/91/357840391.db2.gz YGERDHNGPZXWMQ-LLVKDONJSA-N 1 1 302.334 1.622 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1(O)CCC1 ZINC000599404071 357923839 /nfs/dbraw/zinc/92/38/39/357923839.db2.gz GZZFXKDGQNKSGV-HNNXBMFYSA-N 1 1 308.378 1.735 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000599439298 357937246 /nfs/dbraw/zinc/93/72/46/357937246.db2.gz NFDGVMONGMUACC-UHFFFAOYSA-N 1 1 315.377 1.678 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000599652447 358008780 /nfs/dbraw/zinc/00/87/80/358008780.db2.gz MNUKWIRJKPMASO-KLPPZKSPSA-N 1 1 321.333 1.077 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688077 358026197 /nfs/dbraw/zinc/02/61/97/358026197.db2.gz HUBGQTLEDXBMQF-ZSBIGDGJSA-N 1 1 310.354 1.453 20 5 DDBDMO C[C@]1(CO)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000600204049 358155832 /nfs/dbraw/zinc/15/58/32/358155832.db2.gz NYCZTDZRKLJQPL-XKSIXWHQSA-N 1 1 320.389 1.921 20 5 DDBDMO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600312045 358191947 /nfs/dbraw/zinc/19/19/47/358191947.db2.gz DNWRNFVOKCRHDD-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600312045 358191952 /nfs/dbraw/zinc/19/19/52/358191952.db2.gz DNWRNFVOKCRHDD-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO C[C@@](CO)([NH2+]Cc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601149518 358422627 /nfs/dbraw/zinc/42/26/27/358422627.db2.gz NMIVWTITCLUKTM-INIZCTEOSA-N 1 1 316.361 1.735 20 5 DDBDMO O=C1CC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCN1 ZINC000601175976 358434755 /nfs/dbraw/zinc/43/47/55/358434755.db2.gz MELSJVFEYOPZIQ-JTQLQIEISA-N 1 1 300.318 1.646 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](CO)C1 ZINC000601979432 358763591 /nfs/dbraw/zinc/76/35/91/358763591.db2.gz FZAVYLXSIBOFLA-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602641001 359092504 /nfs/dbraw/zinc/09/25/04/359092504.db2.gz UEQHCSOMSGJLRS-CYBMUJFWSA-N 1 1 303.322 1.377 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602641001 359092506 /nfs/dbraw/zinc/09/25/06/359092506.db2.gz UEQHCSOMSGJLRS-CYBMUJFWSA-N 1 1 303.322 1.377 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899264 359280675 /nfs/dbraw/zinc/28/06/75/359280675.db2.gz OYVPQTBVUBQMBM-YPMHNXCESA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899264 359280680 /nfs/dbraw/zinc/28/06/80/359280680.db2.gz OYVPQTBVUBQMBM-YPMHNXCESA-N 1 1 300.742 1.566 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@H]3CO)co2)cc1 ZINC000186527080 199969333 /nfs/dbraw/zinc/96/93/33/199969333.db2.gz CUGQWYKCQLVBAN-KBPBESRZSA-N 1 1 319.317 1.177 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)co2)cc1 ZINC000186527080 199969335 /nfs/dbraw/zinc/96/93/35/199969335.db2.gz CUGQWYKCQLVBAN-KBPBESRZSA-N 1 1 319.317 1.177 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000186789982 200011325 /nfs/dbraw/zinc/01/13/25/200011325.db2.gz XKWCBVFNYPZVJU-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000186862572 200023767 /nfs/dbraw/zinc/02/37/67/200023767.db2.gz YZFLECDAPKBHBG-KTRBRXNASA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963156 200183683 /nfs/dbraw/zinc/18/36/83/200183683.db2.gz QOYFSAWGCNGBHS-SWLSCSKDSA-N 1 1 309.366 1.239 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609268828 360285878 /nfs/dbraw/zinc/28/58/78/360285878.db2.gz DMCZXQSFKTUQII-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609583263 360328779 /nfs/dbraw/zinc/32/87/79/360328779.db2.gz CBMHLTUOHSODAT-UHFFFAOYSA-N 1 1 309.322 1.394 20 5 DDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208769 360390550 /nfs/dbraw/zinc/39/05/50/360390550.db2.gz KRPRCMCVDQXJMO-YPMHNXCESA-N 1 1 321.377 1.745 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000610367654 360422564 /nfs/dbraw/zinc/42/25/64/360422564.db2.gz PRLKUQMPLYNZDW-OAHLLOKOSA-N 1 1 308.382 1.949 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092509 360621687 /nfs/dbraw/zinc/62/16/87/360621687.db2.gz WSYSCHAEXGWCKF-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)o2)c1 ZINC000611276809 360687757 /nfs/dbraw/zinc/68/77/57/360687757.db2.gz ONXQBEFZPLJOTO-OKILXGFUSA-N 1 1 318.329 1.782 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611242447 360676224 /nfs/dbraw/zinc/67/62/24/360676224.db2.gz ABQVLQDSYRZBSF-NSHDSACASA-N 1 1 324.406 1.575 20 5 DDBDMO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556702 360759173 /nfs/dbraw/zinc/75/91/73/360759173.db2.gz OCAGCGWETQWUOG-GFCCVEGCSA-N 1 1 307.350 1.905 20 5 DDBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000611712052 360802139 /nfs/dbraw/zinc/80/21/39/360802139.db2.gz UXOZEQZGEUHUMC-YGRLFVJLSA-N 1 1 317.349 1.669 20 5 DDBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000611712052 360802141 /nfs/dbraw/zinc/80/21/41/360802141.db2.gz UXOZEQZGEUHUMC-YGRLFVJLSA-N 1 1 317.349 1.669 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000611616727 360777009 /nfs/dbraw/zinc/77/70/09/360777009.db2.gz AAKGMPHGYPGRBD-CQSZACIVSA-N 1 1 320.393 1.765 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281370498 216254299 /nfs/dbraw/zinc/25/42/99/216254299.db2.gz OMZUVAOADKOFOM-RISCZKNCSA-N 1 1 321.333 1.404 20 5 DDBDMO CCC[NH2+]CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193344836 201036190 /nfs/dbraw/zinc/03/61/90/201036190.db2.gz PKXWQQHJJDVNEV-UHFFFAOYSA-N 1 1 305.331 1.012 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000264499656 203959845 /nfs/dbraw/zinc/95/98/45/203959845.db2.gz KDWHRFQFTOVDNU-JTQLQIEISA-N 1 1 311.313 1.184 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000264679556 204072521 /nfs/dbraw/zinc/07/25/21/204072521.db2.gz OVFLLALFTLILLM-UHFFFAOYSA-N 1 1 306.326 1.205 20 5 DDBDMO Nc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000264977103 204318834 /nfs/dbraw/zinc/31/88/34/204318834.db2.gz OULLRGNRFVYQAV-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351251160 284312406 /nfs/dbraw/zinc/31/24/06/284312406.db2.gz GMOQIAAVRLPBOV-PHIMTYICSA-N 1 1 321.381 1.565 20 5 DDBDMO C[C@H](CO)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000351525012 284361822 /nfs/dbraw/zinc/36/18/22/284361822.db2.gz QOGNVFXFJSMYJZ-LLVKDONJSA-N 1 1 321.377 1.819 20 5 DDBDMO CNC(=O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338715417 250102199 /nfs/dbraw/zinc/10/21/99/250102199.db2.gz ZXWAGEOXLZTLKP-UHFFFAOYSA-N 1 1 319.317 1.699 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000105793647 194128879 /nfs/dbraw/zinc/12/88/79/194128879.db2.gz DVODZGLLXMROLI-UHFFFAOYSA-N 1 1 317.353 1.160 20 5 DDBDMO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000109807596 194288215 /nfs/dbraw/zinc/28/82/15/194288215.db2.gz QEPYVLYDDGQGLU-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000109807596 194288217 /nfs/dbraw/zinc/28/82/17/194288217.db2.gz QEPYVLYDDGQGLU-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000340745928 251188938 /nfs/dbraw/zinc/18/89/38/251188938.db2.gz SABCAHMFWCZGEE-SNVBAGLBSA-N 1 1 320.378 1.684 20 5 DDBDMO COCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000330703797 532968449 /nfs/dbraw/zinc/96/84/49/532968449.db2.gz JLUGTVUMVWKBQW-LBPRGKRZSA-N 1 1 311.357 1.886 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000276934976 291819529 /nfs/dbraw/zinc/81/95/29/291819529.db2.gz BCBROBZGISOELL-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO CC[N@H+](CCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120021110 195081833 /nfs/dbraw/zinc/08/18/33/195081833.db2.gz HCPUPRGBNQCBIF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120021110 195081835 /nfs/dbraw/zinc/08/18/35/195081835.db2.gz HCPUPRGBNQCBIF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@H]1OCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000156561928 197123419 /nfs/dbraw/zinc/12/34/19/197123419.db2.gz JQJBSKOPJPPVAD-BZPMIXESSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@H]1OCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000156561928 197123421 /nfs/dbraw/zinc/12/34/21/197123421.db2.gz JQJBSKOPJPPVAD-BZPMIXESSA-N 1 1 310.350 1.444 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289910704 221310211 /nfs/dbraw/zinc/31/02/11/221310211.db2.gz NZQNURMNBIGENK-LLVKDONJSA-N 1 1 310.745 1.588 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289910704 221310213 /nfs/dbraw/zinc/31/02/13/221310213.db2.gz NZQNURMNBIGENK-LLVKDONJSA-N 1 1 310.745 1.588 20 5 DDBDMO CS(=O)(=O)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292404014 533368500 /nfs/dbraw/zinc/36/85/00/533368500.db2.gz ZBHMCSJUJBPHDD-CYBMUJFWSA-N 1 1 312.391 1.504 20 5 DDBDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292404014 533368502 /nfs/dbraw/zinc/36/85/02/533368502.db2.gz ZBHMCSJUJBPHDD-CYBMUJFWSA-N 1 1 312.391 1.504 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299565072 533665207 /nfs/dbraw/zinc/66/52/07/533665207.db2.gz USMLODAVLKIVJP-SNVBAGLBSA-N 1 1 309.370 1.621 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000072064512 406873767 /nfs/dbraw/zinc/87/37/67/406873767.db2.gz BPBNUZPXEYORQG-KGLIPLIRSA-N 1 1 319.361 1.496 20 5 DDBDMO CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072900678 406886132 /nfs/dbraw/zinc/88/61/32/406886132.db2.gz OCPWBMFZPPXVSR-YPMHNXCESA-N 1 1 316.427 1.616 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000075889609 406946495 /nfs/dbraw/zinc/94/64/95/406946495.db2.gz FDPURMBQYBJYJV-KRWDZBQOSA-N 1 1 319.405 1.934 20 5 DDBDMO CC[N@@H+](CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000101984964 407318750 /nfs/dbraw/zinc/31/87/50/407318750.db2.gz QMAFBUJCJAOKNG-UHFFFAOYSA-N 1 1 306.366 1.878 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000126048127 407403575 /nfs/dbraw/zinc/40/35/75/407403575.db2.gz GDPPBWZYJCQJLZ-JSGCOSHPSA-N 1 1 320.393 1.805 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000271010973 407466623 /nfs/dbraw/zinc/46/66/23/407466623.db2.gz ZSXFOQLZQMCTIK-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261724694 407592521 /nfs/dbraw/zinc/59/25/21/407592521.db2.gz JMNDAIHRUPSUIH-MRXNPFEDSA-N 1 1 320.393 1.903 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152996108 407730941 /nfs/dbraw/zinc/73/09/41/407730941.db2.gz DWWHCTPMIMPWSH-IUODEOHRSA-N 1 1 321.377 1.793 20 5 DDBDMO COC(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000116351748 407747842 /nfs/dbraw/zinc/74/78/42/407747842.db2.gz ZAZKBHAIWKMNAD-UHFFFAOYSA-N 1 1 307.350 1.670 20 5 DDBDMO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000179698821 407821575 /nfs/dbraw/zinc/82/15/75/407821575.db2.gz LBEKFWIIRZUUMH-UHFFFAOYSA-N 1 1 321.381 1.702 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000117398308 407833559 /nfs/dbraw/zinc/83/35/59/407833559.db2.gz QNMVFVOGGFTLDA-GFCCVEGCSA-N 1 1 322.365 1.779 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000117398308 407833563 /nfs/dbraw/zinc/83/35/63/407833563.db2.gz QNMVFVOGGFTLDA-GFCCVEGCSA-N 1 1 322.365 1.779 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550080 407855476 /nfs/dbraw/zinc/85/54/76/407855476.db2.gz YXRJVUHWJAOUHU-PWSUYJOCSA-N 1 1 318.377 1.992 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180565512 407901193 /nfs/dbraw/zinc/90/11/93/407901193.db2.gz DEBZACKUKOQYTB-NSHDSACASA-N 1 1 321.381 1.566 20 5 DDBDMO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262812748 407940715 /nfs/dbraw/zinc/94/07/15/407940715.db2.gz YLJQOWKADJRFJA-PSASIEDQSA-N 1 1 317.342 1.010 20 5 DDBDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245714596 408050275 /nfs/dbraw/zinc/05/02/75/408050275.db2.gz PWTOXOXDNXDGBV-HUUCEWRRSA-N 1 1 319.365 1.630 20 5 DDBDMO C[C@H](CCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272563990 407984840 /nfs/dbraw/zinc/98/48/40/407984840.db2.gz UQLKYNDKOSPJNU-BXUZGUMPSA-N 1 1 304.350 1.778 20 5 DDBDMO Cc1c(CC(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000189445649 408018387 /nfs/dbraw/zinc/01/83/87/408018387.db2.gz IACJEEYAKQQTDM-UHFFFAOYSA-N 1 1 321.377 1.284 20 5 DDBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000174975233 408020086 /nfs/dbraw/zinc/02/00/86/408020086.db2.gz YDLHNZYIRBHLJD-QWHCGFSZSA-N 1 1 321.381 1.265 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000189747713 408097904 /nfs/dbraw/zinc/09/79/04/408097904.db2.gz YZFLECDAPKBHBG-YBJDMEARSA-N 1 1 319.361 1.133 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000182227594 408099170 /nfs/dbraw/zinc/09/91/70/408099170.db2.gz ZDUIWRIHDVMCGY-ZDUSSCGKSA-N 1 1 320.349 1.200 20 5 DDBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263664637 408195618 /nfs/dbraw/zinc/19/56/18/408195618.db2.gz FBSLXEQWQMAOQF-UHFFFAOYSA-N 1 1 306.366 1.243 20 5 DDBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263664637 408195625 /nfs/dbraw/zinc/19/56/25/408195625.db2.gz FBSLXEQWQMAOQF-UHFFFAOYSA-N 1 1 306.366 1.243 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000263761502 408242799 /nfs/dbraw/zinc/24/27/99/408242799.db2.gz USLDQLRHTSYWEL-CYBMUJFWSA-N 1 1 321.381 1.344 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000175906011 408235974 /nfs/dbraw/zinc/23/59/74/408235974.db2.gz MMKFGSVLDQYUDP-ZDUSSCGKSA-N 1 1 320.349 1.073 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000175906011 408235979 /nfs/dbraw/zinc/23/59/79/408235979.db2.gz MMKFGSVLDQYUDP-ZDUSSCGKSA-N 1 1 320.349 1.073 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488364 408326243 /nfs/dbraw/zinc/32/62/43/408326243.db2.gz YCYXKXZYWNMJAA-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488364 408326247 /nfs/dbraw/zinc/32/62/47/408326247.db2.gz YCYXKXZYWNMJAA-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c2ccncc21 ZINC000269490231 408328488 /nfs/dbraw/zinc/32/84/88/408328488.db2.gz NUGAHSWVGPXQRR-GFCCVEGCSA-N 1 1 313.361 1.555 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000269390660 408292215 /nfs/dbraw/zinc/29/22/15/408292215.db2.gz RHAFSSABJVZSFO-GHMZBOCLSA-N 1 1 321.381 1.798 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000269428247 408305526 /nfs/dbraw/zinc/30/55/26/408305526.db2.gz QKWQTGVMNADCKH-CYBMUJFWSA-N 1 1 321.377 1.562 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246751963 408332371 /nfs/dbraw/zinc/33/23/71/408332371.db2.gz OOWAGRPRUYSLNB-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247021309 408390818 /nfs/dbraw/zinc/39/08/18/408390818.db2.gz CQQJVZJJQAKOOM-ZFWWWQNUSA-N 1 1 307.394 1.872 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000184000250 408527619 /nfs/dbraw/zinc/52/76/19/408527619.db2.gz JZFPOBGRUKWQPC-UHFFFAOYSA-N 1 1 301.368 1.009 20 5 DDBDMO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000247392441 408461437 /nfs/dbraw/zinc/46/14/37/408461437.db2.gz XGLYJJYLFLZQPJ-DZGCQCFKSA-N 1 1 307.394 1.872 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccccc1 ZINC000270563182 408581775 /nfs/dbraw/zinc/58/17/75/408581775.db2.gz KWJGGVPOJBTJMF-OAHLLOKOSA-N 1 1 317.345 1.422 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000177422176 408610700 /nfs/dbraw/zinc/61/07/00/408610700.db2.gz KAIPTDHCNXJSHP-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000177422176 408610704 /nfs/dbraw/zinc/61/07/04/408610704.db2.gz KAIPTDHCNXJSHP-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000177422176 408610709 /nfs/dbraw/zinc/61/07/09/408610709.db2.gz KAIPTDHCNXJSHP-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000249531010 408738258 /nfs/dbraw/zinc/73/82/58/408738258.db2.gz AXUIWIAXEJUMSC-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000249531010 408738265 /nfs/dbraw/zinc/73/82/65/408738265.db2.gz AXUIWIAXEJUMSC-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CC(C)[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177650447 408677812 /nfs/dbraw/zinc/67/78/12/408677812.db2.gz NKFZQMOOVMXAML-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CC(C)[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177650447 408677817 /nfs/dbraw/zinc/67/78/17/408677817.db2.gz NKFZQMOOVMXAML-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162232081 408681542 /nfs/dbraw/zinc/68/15/42/408681542.db2.gz BNPDGSHLSLYNMD-TXEJJXNPSA-N 1 1 323.397 1.426 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251933776 408790628 /nfs/dbraw/zinc/79/06/28/408790628.db2.gz UBUONCFZSBKOJG-DUVNUKRYSA-N 1 1 324.377 1.691 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(O)C1 ZINC000177980388 408751006 /nfs/dbraw/zinc/75/10/06/408751006.db2.gz IDWPOWZMNKULKY-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO COCCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000276149343 408823162 /nfs/dbraw/zinc/82/31/62/408823162.db2.gz GDFKCIBKUCBSCF-UHFFFAOYSA-N 1 1 312.366 1.706 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000290783058 408831887 /nfs/dbraw/zinc/83/18/87/408831887.db2.gz NFMVQQZZZXPUAD-CQSZACIVSA-N 1 1 317.349 1.308 20 5 DDBDMO Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285628914 408832164 /nfs/dbraw/zinc/83/21/64/408832164.db2.gz DWTWENZGNXLTMU-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000290794697 408834570 /nfs/dbraw/zinc/83/45/70/408834570.db2.gz OVLVVBFCSUBFLV-ZDUSSCGKSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280876168 408851398 /nfs/dbraw/zinc/85/13/98/408851398.db2.gz ZUNTWEIMAUDJGS-MEBBXXQBSA-N 1 1 320.349 1.119 20 5 DDBDMO C[N@H+](CCCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276473776 408864720 /nfs/dbraw/zinc/86/47/20/408864720.db2.gz ZEEAWFRQSILLGM-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[N@@H+](CCCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276473776 408864722 /nfs/dbraw/zinc/86/47/22/408864722.db2.gz ZEEAWFRQSILLGM-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664766 408904237 /nfs/dbraw/zinc/90/42/37/408904237.db2.gz GAEIRKSWJPDVRS-CYBMUJFWSA-N 1 1 315.333 1.337 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664766 408904241 /nfs/dbraw/zinc/90/42/41/408904241.db2.gz GAEIRKSWJPDVRS-CYBMUJFWSA-N 1 1 315.333 1.337 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000281675613 408909143 /nfs/dbraw/zinc/90/91/43/408909143.db2.gz QHJFQMLIVYIKHS-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000194734002 163295745 /nfs/dbraw/zinc/29/57/45/163295745.db2.gz BWJAWHJZWVXONC-LBPRGKRZSA-N 1 1 321.333 1.205 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000277567934 408966024 /nfs/dbraw/zinc/96/60/24/408966024.db2.gz KWUKJXAVIGEOEJ-MNOVXSKESA-N 1 1 319.361 1.958 20 5 DDBDMO CSC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000292297396 409019534 /nfs/dbraw/zinc/01/95/34/409019534.db2.gz CXSYZMMMOCSARM-LBPRGKRZSA-N 1 1 311.407 1.832 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000287539738 409051704 /nfs/dbraw/zinc/05/17/04/409051704.db2.gz BOBLQPLRUFRBLN-PHIMTYICSA-N 1 1 320.349 1.083 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])cc1OC ZINC000294125097 409244811 /nfs/dbraw/zinc/24/48/11/409244811.db2.gz UCBDVWGCYSNRNK-GFCCVEGCSA-N 1 1 310.350 1.959 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])cc1OC ZINC000294125097 409244812 /nfs/dbraw/zinc/24/48/12/409244812.db2.gz UCBDVWGCYSNRNK-GFCCVEGCSA-N 1 1 310.350 1.959 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000280274024 409282780 /nfs/dbraw/zinc/28/27/80/409282780.db2.gz MWOGCSFGFNYAOQ-CYBMUJFWSA-N 1 1 308.294 1.200 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280301327 409287921 /nfs/dbraw/zinc/28/79/21/409287921.db2.gz FTKIORFUJPQEIM-KCXAZCMYSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280301327 409287925 /nfs/dbraw/zinc/28/79/25/409287925.db2.gz FTKIORFUJPQEIM-KCXAZCMYSA-N 1 1 322.361 1.508 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280468400 409317664 /nfs/dbraw/zinc/31/76/64/409317664.db2.gz GGDSIIOABBDMPE-UHFFFAOYSA-N 1 1 320.349 1.987 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295281811 409412134 /nfs/dbraw/zinc/41/21/34/409412134.db2.gz DACTUVICCOTKAH-CABCVRRESA-N 1 1 309.341 1.639 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000285368113 409414704 /nfs/dbraw/zinc/41/47/04/409414704.db2.gz QSRWUTZASNXTLV-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C2CC2)C2COC2)c1 ZINC000295325604 409436015 /nfs/dbraw/zinc/43/60/15/409436015.db2.gz GZHFOVMQDNIBHD-AWEZNQCLSA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](C2CC2)C2COC2)c1 ZINC000295325604 409436021 /nfs/dbraw/zinc/43/60/21/409436021.db2.gz GZHFOVMQDNIBHD-AWEZNQCLSA-N 1 1 308.334 1.198 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000322339189 164047097 /nfs/dbraw/zinc/04/70/97/164047097.db2.gz BPZNZCQJDOXCJM-GHMZBOCLSA-N 1 1 320.349 1.815 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356715587 409547610 /nfs/dbraw/zinc/54/76/10/409547610.db2.gz SEZIUXJWURPXQU-LBPRGKRZSA-N 1 1 323.397 1.569 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356757587 409578683 /nfs/dbraw/zinc/57/86/83/409578683.db2.gz ADFBHCKBVNGQST-JTQLQIEISA-N 1 1 311.386 1.900 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356843274 409654577 /nfs/dbraw/zinc/65/45/77/409654577.db2.gz GIBLQKDZLQTATP-QWHCGFSZSA-N 1 1 320.393 1.582 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357005085 409784551 /nfs/dbraw/zinc/78/45/51/409784551.db2.gz QVOWUVYVELQHLJ-QWHCGFSZSA-N 1 1 320.393 1.582 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229488 409869890 /nfs/dbraw/zinc/86/98/90/409869890.db2.gz MBNUOODYTMMJMR-UMNHJUIQSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357513634 410078420 /nfs/dbraw/zinc/07/84/20/410078420.db2.gz NPRREUVXTCNYLQ-BDAKNGLRSA-N 1 1 305.338 1.126 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000298652061 410330036 /nfs/dbraw/zinc/33/00/36/410330036.db2.gz DCZUSJFLRPDFBH-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO C[N@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298788834 410400340 /nfs/dbraw/zinc/40/03/40/410400340.db2.gz RGTDTMCKGRWDQA-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000352013312 410411837 /nfs/dbraw/zinc/41/18/37/410411837.db2.gz IPRQUWYDWRMPJD-GHMZBOCLSA-N 1 1 309.370 1.041 20 5 DDBDMO CC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)COC1 ZINC000339733067 410424147 /nfs/dbraw/zinc/42/41/47/410424147.db2.gz CKSKPBQFZUFSLQ-UHFFFAOYSA-N 1 1 319.361 1.389 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000347534899 410601087 /nfs/dbraw/zinc/60/10/87/410601087.db2.gz ZSUSDZOMYRKDBF-MNOVXSKESA-N 1 1 309.370 1.273 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343596267 410560962 /nfs/dbraw/zinc/56/09/62/410560962.db2.gz GVJTXWZAQRMWTG-PWSUYJOCSA-N 1 1 306.366 1.849 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301145519 410663491 /nfs/dbraw/zinc/66/34/91/410663491.db2.gz LHCIIPWZTCJQDS-UHFFFAOYSA-N 1 1 305.338 1.996 20 5 DDBDMO C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000337299226 410700320 /nfs/dbraw/zinc/70/03/20/410700320.db2.gz MGDUOFBPHNPWIR-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299226 410700321 /nfs/dbraw/zinc/70/03/21/410700321.db2.gz MGDUOFBPHNPWIR-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299226 410700327 /nfs/dbraw/zinc/70/03/27/410700327.db2.gz MGDUOFBPHNPWIR-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450119 410700493 /nfs/dbraw/zinc/70/04/93/410700493.db2.gz ILXYBLBIUZGOSY-LBPRGKRZSA-N 1 1 323.393 1.577 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450119 410700497 /nfs/dbraw/zinc/70/04/97/410700497.db2.gz ILXYBLBIUZGOSY-LBPRGKRZSA-N 1 1 323.393 1.577 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)Cc1ccccc1)CC2 ZINC000347785897 410720167 /nfs/dbraw/zinc/72/01/67/410720167.db2.gz OPUQIAHYIIIXBC-INIZCTEOSA-N 1 1 313.357 1.952 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)Cc1ccccc1)CC2 ZINC000347785897 410720172 /nfs/dbraw/zinc/72/01/72/410720172.db2.gz OPUQIAHYIIIXBC-INIZCTEOSA-N 1 1 313.357 1.952 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000330542498 410763707 /nfs/dbraw/zinc/76/37/07/410763707.db2.gz IVNKWAKYVNBWCN-ZLDLUXBVSA-N 1 1 321.377 1.800 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000330542498 410763712 /nfs/dbraw/zinc/76/37/12/410763712.db2.gz IVNKWAKYVNBWCN-ZLDLUXBVSA-N 1 1 321.377 1.800 20 5 DDBDMO Cc1nc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301662800 410766773 /nfs/dbraw/zinc/76/67/73/410766773.db2.gz NDSWHYVPUMRNEH-KGLIPLIRSA-N 1 1 320.393 1.724 20 5 DDBDMO COc1cc(C(=O)NCC[NH+]2CCC2)cc([N+](=O)[O-])c1OC ZINC000337599361 410887274 /nfs/dbraw/zinc/88/72/74/410887274.db2.gz QTOPLNWOYKWUGA-UHFFFAOYSA-N 1 1 309.322 1.048 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344064109 410932559 /nfs/dbraw/zinc/93/25/59/410932559.db2.gz OSNAMWMAWKDLEC-YXMPFFBPSA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344064109 410932566 /nfs/dbraw/zinc/93/25/66/410932566.db2.gz OSNAMWMAWKDLEC-YXMPFFBPSA-N 1 1 319.361 1.625 20 5 DDBDMO Cc1c(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000331160255 410989266 /nfs/dbraw/zinc/98/92/66/410989266.db2.gz ZZGGGQYJDFYMEW-CYBMUJFWSA-N 1 1 320.393 1.155 20 5 DDBDMO C[C@@H](CCO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353517112 411042775 /nfs/dbraw/zinc/04/27/75/411042775.db2.gz HWKBFRDCOHXWKP-FZMZJTMJSA-N 1 1 304.350 1.778 20 5 DDBDMO C[N@@H+](CCc1ccccc1O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344230936 411043596 /nfs/dbraw/zinc/04/35/96/411043596.db2.gz YYCHRQHRAPDORL-CQSZACIVSA-N 1 1 320.349 1.032 20 5 DDBDMO Nc1nccc(C(=O)NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000515070301 416691023 /nfs/dbraw/zinc/69/10/23/416691023.db2.gz DQBHILQZSGIMET-UHFFFAOYSA-N 1 1 316.321 1.035 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CCOCC3)CC2)n1 ZINC000366220286 418444946 /nfs/dbraw/zinc/44/49/46/418444946.db2.gz UKQBGVMVAOBKFG-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO O=C(CCN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360535656 418458335 /nfs/dbraw/zinc/45/83/35/418458335.db2.gz QPKGCKMRQVLDPG-MRXNPFEDSA-N 1 1 318.377 1.609 20 5 DDBDMO CNc1c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360937554 418550724 /nfs/dbraw/zinc/55/07/24/418550724.db2.gz LPROCLPFMDMKRS-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360937554 418550727 /nfs/dbraw/zinc/55/07/27/418550727.db2.gz LPROCLPFMDMKRS-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000360947972 418552651 /nfs/dbraw/zinc/55/26/51/418552651.db2.gz YVPOPTRTGSFHNP-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO COCCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000189726061 222053319 /nfs/dbraw/zinc/05/33/19/222053319.db2.gz VAJMSNPBWLGNAJ-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000189726061 222053321 /nfs/dbraw/zinc/05/33/21/222053321.db2.gz VAJMSNPBWLGNAJ-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291302893 222298621 /nfs/dbraw/zinc/29/86/21/222298621.db2.gz SFLRKVBFFHHDFR-LBPRGKRZSA-N 1 1 309.366 1.914 20 5 DDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291302893 222298624 /nfs/dbraw/zinc/29/86/24/222298624.db2.gz SFLRKVBFFHHDFR-LBPRGKRZSA-N 1 1 309.366 1.914 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(O)(C2CC2)C1 ZINC000375471765 418644668 /nfs/dbraw/zinc/64/46/68/418644668.db2.gz UWDSSRWSVFXPKR-UHFFFAOYSA-N 1 1 319.361 1.689 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000371544166 418799862 /nfs/dbraw/zinc/79/98/62/418799862.db2.gz DPLVYQAWWQXUDN-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c2ccncc21 ZINC000364879248 418820971 /nfs/dbraw/zinc/82/09/71/418820971.db2.gz CTEODIXXLXKUGK-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c2ccncc21 ZINC000364879248 418820973 /nfs/dbraw/zinc/82/09/73/418820973.db2.gz CTEODIXXLXKUGK-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372300008 418852608 /nfs/dbraw/zinc/85/26/08/418852608.db2.gz FUKUICNZNQNVDF-AWEZNQCLSA-N 1 1 308.334 1.439 20 5 DDBDMO CC1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411274485 418887384 /nfs/dbraw/zinc/88/73/84/418887384.db2.gz DKCSINHRDIEJAE-UHFFFAOYSA-N 1 1 320.349 1.134 20 5 DDBDMO CC1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411274485 418887386 /nfs/dbraw/zinc/88/73/86/418887386.db2.gz DKCSINHRDIEJAE-UHFFFAOYSA-N 1 1 320.349 1.134 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372721317 418894621 /nfs/dbraw/zinc/89/46/21/418894621.db2.gz CVHRRJULWGBCJU-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372733277 418896893 /nfs/dbraw/zinc/89/68/93/418896893.db2.gz WIKCEHODRVPCBF-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO CC(C)[C@H](C)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365848164 418916386 /nfs/dbraw/zinc/91/63/86/418916386.db2.gz NEPIMNLHQQSWBZ-LBPRGKRZSA-N 1 1 323.397 1.589 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000426240299 419416273 /nfs/dbraw/zinc/41/62/73/419416273.db2.gz TZPCOTOLOVBEIR-NSHDSACASA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000426240299 419416284 /nfs/dbraw/zinc/41/62/84/419416284.db2.gz TZPCOTOLOVBEIR-NSHDSACASA-N 1 1 323.349 1.389 20 5 DDBDMO CC[C@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](CC)O1 ZINC000420945688 419376740 /nfs/dbraw/zinc/37/67/40/419376740.db2.gz BFVXQEIQXYDMNX-KBPBESRZSA-N 1 1 309.366 1.646 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)n1 ZINC000411948337 419513497 /nfs/dbraw/zinc/51/34/97/419513497.db2.gz PQNWEPGZLRNRRD-KGLIPLIRSA-N 1 1 302.334 1.599 20 5 DDBDMO C[C@H](O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103856 419663732 /nfs/dbraw/zinc/66/37/32/419663732.db2.gz ZKUCPNWBEXUSAX-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H](O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103856 419663742 /nfs/dbraw/zinc/66/37/42/419663742.db2.gz ZKUCPNWBEXUSAX-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000421710851 419698011 /nfs/dbraw/zinc/69/80/11/419698011.db2.gz MPYIWBCGLGVTPM-LLVKDONJSA-N 1 1 321.333 1.490 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000428265647 419839053 /nfs/dbraw/zinc/83/90/53/419839053.db2.gz IZRTUONEXHTYIG-UHFFFAOYSA-N 1 1 305.342 1.143 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000299311653 229043624 /nfs/dbraw/zinc/04/36/24/229043624.db2.gz FCAOKCGBVBTZEP-UHFFFAOYSA-N 1 1 318.377 1.622 20 5 DDBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](C2CC2)CC1 ZINC000299376490 229084098 /nfs/dbraw/zinc/08/40/98/229084098.db2.gz SRYQZMVNYPDCGO-UHFFFAOYSA-N 1 1 314.345 1.996 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444712 420052202 /nfs/dbraw/zinc/05/22/02/420052202.db2.gz XCPRIMBVHOWPPH-JWFUOXDNSA-N 1 1 304.350 1.119 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000423615275 420100803 /nfs/dbraw/zinc/10/08/03/420100803.db2.gz QVQURURRFWJAKK-GFCCVEGCSA-N 1 1 319.296 1.244 20 5 DDBDMO CC1(C)C[C@@H](NC[C@@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580175 420087213 /nfs/dbraw/zinc/08/72/13/420087213.db2.gz XHTIRRHKOZJKPL-SWLSCSKDSA-N 1 1 305.378 1.895 20 5 DDBDMO C[NH2+]C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430641446 420167795 /nfs/dbraw/zinc/16/77/95/420167795.db2.gz TVZAUVRXCKMVEW-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO CCc1nn(C)c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450792102 420532818 /nfs/dbraw/zinc/53/28/18/420532818.db2.gz NLQNDLJCZXBWCS-PHIMTYICSA-N 1 1 309.370 1.166 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457083095 420605465 /nfs/dbraw/zinc/60/54/65/420605465.db2.gz XEIFQYWQWREILM-UHFFFAOYSA-N 1 1 323.397 1.875 20 5 DDBDMO C[N@@H+]1CCN(CCNCc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000441372715 420649119 /nfs/dbraw/zinc/64/91/19/420649119.db2.gz QCDOUNCIXLIWJZ-UHFFFAOYSA-N 1 1 324.400 1.850 20 5 DDBDMO C[N@H+]1CCN(CCNCc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000441372715 420649123 /nfs/dbraw/zinc/64/91/23/420649123.db2.gz QCDOUNCIXLIWJZ-UHFFFAOYSA-N 1 1 324.400 1.850 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(C)C ZINC000453041971 420706195 /nfs/dbraw/zinc/70/61/95/420706195.db2.gz SBRBRONHRZNGNX-SOUVJXGZSA-N 1 1 310.398 1.765 20 5 DDBDMO CCOc1cc(C[NH+]2C[C@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000493703036 420919230 /nfs/dbraw/zinc/91/92/30/420919230.db2.gz BQMYTUPANALLHT-GJZGRUSLSA-N 1 1 310.350 1.839 20 5 DDBDMO Cc1ccc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449536561 421023104 /nfs/dbraw/zinc/02/31/04/421023104.db2.gz FIYBLCIYHJZZQZ-OKILXGFUSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000449536578 421023524 /nfs/dbraw/zinc/02/35/24/421023524.db2.gz FMDMPXJEPMOXPD-GWJAVYCQSA-N 1 1 319.405 1.995 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449748069 421074645 /nfs/dbraw/zinc/07/46/45/421074645.db2.gz ZFZKYBKTALZAMF-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000449748069 421074648 /nfs/dbraw/zinc/07/46/48/421074648.db2.gz ZFZKYBKTALZAMF-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000456353017 421147353 /nfs/dbraw/zinc/14/73/53/421147353.db2.gz NVXFOGHGEVNDLU-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524590598 421262962 /nfs/dbraw/zinc/26/29/62/421262962.db2.gz MERNYVKTGRQZOY-LBPRGKRZSA-N 1 1 306.366 1.830 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)n1 ZINC000548036721 421392053 /nfs/dbraw/zinc/39/20/53/421392053.db2.gz ASZNBFDRFLEBTO-CYBMUJFWSA-N 1 1 322.409 1.888 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000522167988 421817806 /nfs/dbraw/zinc/81/78/06/421817806.db2.gz QVUZWHFGTSRPCU-LBPRGKRZSA-N 1 1 306.366 1.758 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000581139311 421909257 /nfs/dbraw/zinc/90/92/57/421909257.db2.gz ARDKMDVHDBZFPA-CQSZACIVSA-N 1 1 314.345 1.641 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-] ZINC000595461060 422356728 /nfs/dbraw/zinc/35/67/28/422356728.db2.gz LGJONEBMITWOHM-JTQLQIEISA-N 1 1 318.337 1.643 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-] ZINC000595461060 422356731 /nfs/dbraw/zinc/35/67/31/422356731.db2.gz LGJONEBMITWOHM-JTQLQIEISA-N 1 1 318.337 1.643 20 5 DDBDMO COc1ccc(CNc2cc(CO)cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000596085397 422362247 /nfs/dbraw/zinc/36/22/47/422362247.db2.gz WJJPZRQQCFEVHY-UHFFFAOYSA-N 1 1 303.318 2.411 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CC[N@H+]3C3CCCC3)nn21 ZINC000599164059 422402266 /nfs/dbraw/zinc/40/22/66/422402266.db2.gz IUZFWPGKDPPXFG-LBPRGKRZSA-N 1 1 316.365 2.066 20 5 DDBDMO Cn1c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344620095 272071581 /nfs/dbraw/zinc/07/15/81/272071581.db2.gz RKVRLWARCYTRCK-LBPRGKRZSA-N 1 1 308.382 1.784 20 5 DDBDMO CCOc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000345044510 272162587 /nfs/dbraw/zinc/16/25/87/272162587.db2.gz QCRSMDNZSQHBJY-CYBMUJFWSA-N 1 1 323.393 1.886 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345321780 272218914 /nfs/dbraw/zinc/21/89/14/272218914.db2.gz OUQYRXIADAGGPE-GZMMTYOYSA-N 1 1 310.329 1.529 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345971485 272379646 /nfs/dbraw/zinc/37/96/46/272379646.db2.gz VEPSMEUYDGFAGB-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000323802948 274004781 /nfs/dbraw/zinc/00/47/81/274004781.db2.gz GZXBTGRBYMLOCY-INIZCTEOSA-N 1 1 319.361 1.913 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC000272188278 277146838 /nfs/dbraw/zinc/14/68/38/277146838.db2.gz LOSVBPJDZDEBNU-SKDRFNHKSA-N 1 1 303.322 1.661 20 5 DDBDMO COC(=O)C1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000450557136 277308509 /nfs/dbraw/zinc/30/85/09/277308509.db2.gz BMMNJAXMSMMXJE-LLVKDONJSA-N 1 1 320.349 1.429 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000123968393 281181453 /nfs/dbraw/zinc/18/14/53/281181453.db2.gz CGFLHCXKGLMGIW-GHMZBOCLSA-N 1 1 313.379 1.274 20 5 DDBDMO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn2cc[nH+]c12 ZINC000355401586 298730298 /nfs/dbraw/zinc/73/02/98/298730298.db2.gz KIOJEKYRGGVTCO-UHFFFAOYSA-N 1 1 314.305 1.776 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362287203 300044349 /nfs/dbraw/zinc/04/43/49/300044349.db2.gz OKAYVEIMXGJVHB-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCOCC1 ZINC000363379591 300259763 /nfs/dbraw/zinc/25/97/63/300259763.db2.gz SSHFBAQHLOAEGJ-UHFFFAOYSA-N 1 1 323.349 1.654 20 5 DDBDMO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000368804894 301090347 /nfs/dbraw/zinc/09/03/47/301090347.db2.gz JTJXZFHMJMFIFD-QWHCGFSZSA-N 1 1 309.391 1.494 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818424 301092414 /nfs/dbraw/zinc/09/24/14/301092414.db2.gz UIKMNBHQDOIQGO-CABCVRRESA-N 1 1 318.377 1.170 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007169 301118225 /nfs/dbraw/zinc/11/82/25/301118225.db2.gz GRHCOKNDLRSWQB-AAEUAGOBSA-N 1 1 320.349 1.524 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000369212342 301146348 /nfs/dbraw/zinc/14/63/48/301146348.db2.gz DBYCYRXNNFDKPX-CQSZACIVSA-N 1 1 319.409 1.393 20 5 DDBDMO CCn1nccc1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000369408872 301182849 /nfs/dbraw/zinc/18/28/49/301182849.db2.gz QUKKGZSDUKXKTB-UHFFFAOYSA-N 1 1 318.381 1.924 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370445624 301340871 /nfs/dbraw/zinc/34/08/71/301340871.db2.gz WHMUTWSFPFXMPS-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000377767452 302229368 /nfs/dbraw/zinc/22/93/68/302229368.db2.gz MWILFINXCYXDFK-KBPBESRZSA-N 1 1 306.366 1.825 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143602 303277228 /nfs/dbraw/zinc/27/72/28/303277228.db2.gz OGTGLKPBWZWONW-LBPRGKRZSA-N 1 1 306.366 1.984 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000538709536 303389278 /nfs/dbraw/zinc/38/92/78/303389278.db2.gz LQYMPADZIKMSRL-SNVBAGLBSA-N 1 1 321.333 1.395 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362068724 307012663 /nfs/dbraw/zinc/01/26/63/307012663.db2.gz CPMRGUWYRXHPAV-NWDGAFQWSA-N 1 1 307.350 1.118 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000373767356 307194774 /nfs/dbraw/zinc/19/47/74/307194774.db2.gz BQBBDLPINAPTCP-CQSZACIVSA-N 1 1 307.350 1.120 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000373767356 307194775 /nfs/dbraw/zinc/19/47/75/307194775.db2.gz BQBBDLPINAPTCP-CQSZACIVSA-N 1 1 307.350 1.120 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373813342 307195779 /nfs/dbraw/zinc/19/57/79/307195779.db2.gz SXVINOZPVPJYNI-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373813342 307195780 /nfs/dbraw/zinc/19/57/80/307195780.db2.gz SXVINOZPVPJYNI-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000564782569 308005701 /nfs/dbraw/zinc/00/57/01/308005701.db2.gz FPOHQTMVHGVUKZ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000564782569 308005703 /nfs/dbraw/zinc/00/57/03/308005703.db2.gz FPOHQTMVHGVUKZ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000577510022 308394334 /nfs/dbraw/zinc/39/43/34/308394334.db2.gz JETKHYBZRYOOJO-OAHLLOKOSA-N 1 1 304.350 1.771 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000577510021 308394432 /nfs/dbraw/zinc/39/44/32/308394432.db2.gz JETKHYBZRYOOJO-HNNXBMFYSA-N 1 1 304.350 1.771 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncccn2)n1 ZINC000580661004 308621859 /nfs/dbraw/zinc/62/18/59/308621859.db2.gz ZPSQVWMXBWWMEI-VXGBXAGGSA-N 1 1 302.338 1.855 20 5 DDBDMO C[C@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452055516 534189771 /nfs/dbraw/zinc/18/97/71/534189771.db2.gz UMDLCUOOHJWRKQ-XVLPMQGWSA-N 1 1 320.393 1.520 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452347342 534571842 /nfs/dbraw/zinc/57/18/42/534571842.db2.gz IJRNFIFWSIMFQX-LBPRGKRZSA-N 1 1 307.350 1.171 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491423263 534773408 /nfs/dbraw/zinc/77/34/08/534773408.db2.gz YZIBXOKVDJNITI-VOTSOKGWSA-N 1 1 300.318 1.929 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330890008 528548927 /nfs/dbraw/zinc/54/89/27/528548927.db2.gz BPXYYFSFWDHXDO-ZJUUUORDSA-N 1 1 309.370 1.483 20 5 DDBDMO CCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736452660 598772775 /nfs/dbraw/zinc/77/27/75/598772775.db2.gz HGDOKONSCNPOHP-UHFFFAOYSA-N 1 1 319.369 1.919 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824992259 608554886 /nfs/dbraw/zinc/55/48/86/608554886.db2.gz LDGWTFLUANGXPZ-UWVGGRQHSA-N 1 1 317.353 1.304 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525086 700013282 /nfs/dbraw/zinc/01/32/82/700013282.db2.gz AKODOWSXMQAENN-UKRRQHHQSA-N 1 1 307.350 1.086 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119739559 696684859 /nfs/dbraw/zinc/68/48/59/696684859.db2.gz ITVIGVXZEHJRRF-VIFPVBQESA-N 1 1 319.408 1.276 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582113 698121184 /nfs/dbraw/zinc/12/11/84/698121184.db2.gz QNUIPDIIELLOCW-ABAIWWIYSA-N 1 1 322.361 1.902 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000776585905 698122173 /nfs/dbraw/zinc/12/21/73/698122173.db2.gz CTBGIDVLTUBFEA-UONOGXRCSA-N 1 1 312.391 1.428 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588826 698123191 /nfs/dbraw/zinc/12/31/91/698123191.db2.gz CFHPUYIXBYEGLS-CJNGLKHVSA-N 1 1 307.394 1.902 20 5 DDBDMO C[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000788071347 699273693 /nfs/dbraw/zinc/27/36/93/699273693.db2.gz CMMOHTWOLWKHMQ-UHFFFAOYSA-N 1 1 312.757 1.434 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794704604 699825309 /nfs/dbraw/zinc/82/53/09/699825309.db2.gz LIXCPBCAXGZWNK-HNNXBMFYSA-N 1 1 317.349 1.408 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000741720103 699848966 /nfs/dbraw/zinc/84/89/66/699848966.db2.gz DZIJVNBNCURBSR-KOLCDFICSA-N 1 1 322.321 1.716 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000795674533 699883403 /nfs/dbraw/zinc/88/34/03/699883403.db2.gz KNEMETHUEQYUFK-OKILXGFUSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000795674533 699883405 /nfs/dbraw/zinc/88/34/05/699883405.db2.gz KNEMETHUEQYUFK-OKILXGFUSA-N 1 1 317.349 1.920 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000751947721 700329022 /nfs/dbraw/zinc/32/90/22/700329022.db2.gz UULXJUBGHWDPRT-NSHDSACASA-N 1 1 305.338 1.716 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000751952094 700329803 /nfs/dbraw/zinc/32/98/03/700329803.db2.gz VIDYXYAQIVPXOG-ZDUSSCGKSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000751952094 700329808 /nfs/dbraw/zinc/32/98/08/700329808.db2.gz VIDYXYAQIVPXOG-ZDUSSCGKSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801936493 700357720 /nfs/dbraw/zinc/35/77/20/700357720.db2.gz UQLUYMBZWILDMA-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801936493 700357721 /nfs/dbraw/zinc/35/77/21/700357721.db2.gz UQLUYMBZWILDMA-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000761078338 700840556 /nfs/dbraw/zinc/84/05/56/700840556.db2.gz BOPKJHNCSHYIBW-WFASDCNBSA-N 1 1 318.377 1.336 20 5 DDBDMO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000761078338 700840558 /nfs/dbraw/zinc/84/05/58/700840558.db2.gz BOPKJHNCSHYIBW-WFASDCNBSA-N 1 1 318.377 1.336 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC000768770142 701201517 /nfs/dbraw/zinc/20/15/17/701201517.db2.gz SEHCUZDMDSHCMF-QPUJVOFHSA-N 1 1 313.741 1.499 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC000768770142 701201520 /nfs/dbraw/zinc/20/15/20/701201520.db2.gz SEHCUZDMDSHCMF-QPUJVOFHSA-N 1 1 313.741 1.499 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000807967119 701492556 /nfs/dbraw/zinc/49/25/56/701492556.db2.gz NPBHWMOWSOKHGF-GFCCVEGCSA-N 1 1 320.393 1.845 20 5 DDBDMO C[C@H]1C[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000810376719 701761832 /nfs/dbraw/zinc/76/18/32/701761832.db2.gz QKUMTPHZZBGCKB-STQMWFEESA-N 1 1 321.377 1.820 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866073873 706611279 /nfs/dbraw/zinc/61/12/79/706611279.db2.gz UVXIRYYAJSZOAI-ZYHUDNBSSA-N 1 1 309.341 1.875 20 5 DDBDMO CSc1ccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839780912 701824353 /nfs/dbraw/zinc/82/43/53/701824353.db2.gz YOHPHKROOHPNDY-MGPQQGTHSA-N 1 1 323.418 1.793 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984238 701873537 /nfs/dbraw/zinc/87/35/37/701873537.db2.gz VRRUOGLSPADKJQ-LOWVWBTDSA-N 1 1 311.288 1.492 20 5 DDBDMO CC(C)(C[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)C(N)=O ZINC000840110814 701973800 /nfs/dbraw/zinc/97/38/00/701973800.db2.gz ULCUXEBFKFGTNY-NSHDSACASA-N 1 1 309.370 1.362 20 5 DDBDMO CC(C)(C[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)C(N)=O ZINC000840110814 701973803 /nfs/dbraw/zinc/97/38/03/701973803.db2.gz ULCUXEBFKFGTNY-NSHDSACASA-N 1 1 309.370 1.362 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@@H]21 ZINC000866207003 706648717 /nfs/dbraw/zinc/64/87/17/706648717.db2.gz NUVVZLLYSJTWOX-UWVGGRQHSA-N 1 1 303.322 1.661 20 5 DDBDMO COC(=O)Cc1ccc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000817131927 702281545 /nfs/dbraw/zinc/28/15/45/702281545.db2.gz VRBFMCINBWHEHF-ZDUSSCGKSA-N 1 1 321.377 1.841 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000843309588 702857893 /nfs/dbraw/zinc/85/78/93/702857893.db2.gz FMUKCKUIYAQQNV-TXEJJXNPSA-N 1 1 324.381 1.115 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000843309588 702857895 /nfs/dbraw/zinc/85/78/95/702857895.db2.gz FMUKCKUIYAQQNV-TXEJJXNPSA-N 1 1 324.381 1.115 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879561543 706718359 /nfs/dbraw/zinc/71/83/59/706718359.db2.gz QFXBGHGIWHEHGK-STQMWFEESA-N 1 1 321.402 1.879 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577505 706724954 /nfs/dbraw/zinc/72/49/54/706724954.db2.gz JRKSOZRIZFNERO-KBMXLJTQSA-N 1 1 305.378 1.654 20 5 DDBDMO CC1(C)OC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000851717438 703836014 /nfs/dbraw/zinc/83/60/14/703836014.db2.gz SFQASUDJUYKCRA-ZDUSSCGKSA-N 1 1 322.365 1.263 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000818963293 704035900 /nfs/dbraw/zinc/03/59/00/704035900.db2.gz NTSXJOWQFLYJAS-IIAWOOMASA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000819154240 704077708 /nfs/dbraw/zinc/07/77/08/704077708.db2.gz GCTPNVCFSNXMEI-IUODEOHRSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000819342253 704110668 /nfs/dbraw/zinc/11/06/68/704110668.db2.gz YNPDBGLEUMGIMM-LBPRGKRZSA-N 1 1 303.322 1.414 20 5 DDBDMO CCc1nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])co1 ZINC000819357660 704112674 /nfs/dbraw/zinc/11/26/74/704112674.db2.gz URTXGBIYNDZPHM-LBPRGKRZSA-N 1 1 321.333 1.675 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000870874381 704153342 /nfs/dbraw/zinc/15/33/42/704153342.db2.gz IVGVBGLNBOHXBP-BZNIZROVSA-N 1 1 321.377 1.795 20 5 DDBDMO CO[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870880779 704155320 /nfs/dbraw/zinc/15/53/20/704155320.db2.gz ONDRRDOGHYQEBH-HIFRSBDPSA-N 1 1 307.350 1.406 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000822152028 704885825 /nfs/dbraw/zinc/88/58/25/704885825.db2.gz QIGUGQPYYPCXJF-LBPRGKRZSA-N 1 1 309.370 1.041 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836914 705193856 /nfs/dbraw/zinc/19/38/56/705193856.db2.gz IDKKXSPBGAGTDT-NEPJUHHUSA-N 1 1 304.350 1.486 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000823468831 705249606 /nfs/dbraw/zinc/24/96/06/705249606.db2.gz LIBKLMXKOFIXLQ-CABCVRRESA-N 1 1 317.349 1.557 20 5 DDBDMO Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000876172234 705647645 /nfs/dbraw/zinc/64/76/45/705647645.db2.gz UFOGMUULNRTBRA-UHFFFAOYSA-N 1 1 318.377 1.893 20 5 DDBDMO CCOC(=O)[C@@H](F)C1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877549307 706139067 /nfs/dbraw/zinc/13/90/67/706139067.db2.gz BOAZXPXFDZHEPW-AWEZNQCLSA-N 1 1 310.325 1.970 20 5 DDBDMO CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000878251476 706338741 /nfs/dbraw/zinc/33/87/41/706338741.db2.gz MZYFDUJSHNFIDQ-BZPMIXESSA-N 1 1 306.366 1.901 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000837184905 707592907 /nfs/dbraw/zinc/59/29/07/707592907.db2.gz PBXCTGNZFLQMPV-GFCCVEGCSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000882481756 707652534 /nfs/dbraw/zinc/65/25/34/707652534.db2.gz VDJLNOMYXMXTBE-NSHDSACASA-N 1 1 309.391 1.897 20 5 DDBDMO Cc1ccc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251846 707786052 /nfs/dbraw/zinc/78/60/52/707786052.db2.gz LVJODEQCTFBPRN-CVEARBPZSA-N 1 1 305.378 1.760 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000838137347 707851318 /nfs/dbraw/zinc/85/13/18/707851318.db2.gz QOWQCNNLWYXGAI-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959937 707873511 /nfs/dbraw/zinc/87/35/11/707873511.db2.gz UNGAMZIXRLKQSB-JTQLQIEISA-N 1 1 308.338 1.591 20 5 DDBDMO COc1cc(N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000897097191 708229349 /nfs/dbraw/zinc/22/93/49/708229349.db2.gz KQINLHADHSJTLH-UHFFFAOYSA-N 1 1 308.382 1.287 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897218130 708256561 /nfs/dbraw/zinc/25/65/61/708256561.db2.gz BCLCBHKBTOAKAM-KGLIPLIRSA-N 1 1 321.377 1.639 20 5 DDBDMO O=C(N1CCc2c(cccc2[N+](=O)[O-])C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897232680 708263605 /nfs/dbraw/zinc/26/36/05/708263605.db2.gz RKVHSNSEAJNINK-KRWDZBQOSA-N 1 1 315.373 1.965 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827924 708855165 /nfs/dbraw/zinc/85/51/65/708855165.db2.gz UFWDTHKRSMIRMS-UKRRQHHQSA-N 1 1 319.361 1.695 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887937601 709172371 /nfs/dbraw/zinc/17/23/71/709172371.db2.gz BNANQBUIQZYBCG-ABAIWWIYSA-N 1 1 304.350 1.322 20 5 DDBDMO CC(C)c1ccc(C(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899737171 709184058 /nfs/dbraw/zinc/18/40/58/709184058.db2.gz BHTQKFYBIOJJNV-UHFFFAOYSA-N 1 1 309.366 1.372 20 5 DDBDMO C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267395 709512633 /nfs/dbraw/zinc/51/26/33/709512633.db2.gz FHEOPOIWAPHJJS-MLGOLLRUSA-N 1 1 321.377 1.619 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000928439691 713196299 /nfs/dbraw/zinc/19/62/99/713196299.db2.gz JVQKRKDKVNHQOG-KOLCDFICSA-N 1 1 302.334 1.899 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000893872083 710867687 /nfs/dbraw/zinc/86/76/87/710867687.db2.gz ONWPJBKXHDNZDG-SECBINFHSA-N 1 1 307.306 1.148 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CC([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894149763 710986989 /nfs/dbraw/zinc/98/69/89/710986989.db2.gz VHWDAGYRFWGOJJ-NSHDSACASA-N 1 1 308.334 1.777 20 5 DDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928560788 713227158 /nfs/dbraw/zinc/22/71/58/713227158.db2.gz VLOUWVGMLIPRFL-DZGCQCFKSA-N 1 1 305.378 1.984 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000894569436 711185601 /nfs/dbraw/zinc/18/56/01/711185601.db2.gz VMEJAVXLURQNLX-GFCCVEGCSA-N 1 1 318.333 1.953 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000894569436 711185604 /nfs/dbraw/zinc/18/56/04/711185604.db2.gz VMEJAVXLURQNLX-GFCCVEGCSA-N 1 1 318.333 1.953 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](CCCO)C2)c1[N+](=O)[O-] ZINC000894797601 711275067 /nfs/dbraw/zinc/27/50/67/711275067.db2.gz NTLHPZWDZXLSGK-LLVKDONJSA-N 1 1 310.350 1.903 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1CO ZINC000894887643 711309193 /nfs/dbraw/zinc/30/91/93/711309193.db2.gz HPTMYPZNQHIIDG-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C(C)(C)C ZINC000895100668 711411367 /nfs/dbraw/zinc/41/13/67/711411367.db2.gz DTFOISQZPBLHFQ-CQSZACIVSA-N 1 1 320.393 1.860 20 5 DDBDMO COC(=O)/C=C/c1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895777740 711603988 /nfs/dbraw/zinc/60/39/88/711603988.db2.gz WVGVSDPGOHAWBY-FVOPLDGLSA-N 1 1 305.334 1.897 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581025 711758302 /nfs/dbraw/zinc/75/83/02/711758302.db2.gz FUJHYOMQCJFABI-JSGCOSHPSA-N 1 1 320.393 1.267 20 5 DDBDMO COC(=O)/C=C(\C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989013 713730049 /nfs/dbraw/zinc/73/00/49/713730049.db2.gz POUJFPYDXUQZKY-VNKGSWCUSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C=C(\C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989013 713730052 /nfs/dbraw/zinc/73/00/52/713730052.db2.gz POUJFPYDXUQZKY-VNKGSWCUSA-N 1 1 320.349 1.595 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000930875224 713947474 /nfs/dbraw/zinc/94/74/74/713947474.db2.gz LMBKRLRZBVXPQV-LBPRGKRZSA-N 1 1 321.381 1.667 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931196829 714031982 /nfs/dbraw/zinc/03/19/82/714031982.db2.gz KYZILTNZENBKHQ-UHFFFAOYSA-N 1 1 318.333 1.471 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931312891 714063212 /nfs/dbraw/zinc/06/32/12/714063212.db2.gz WBTCMOFXOMQMMW-YESZJQIVSA-N 1 1 319.405 1.902 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932000209 714229296 /nfs/dbraw/zinc/22/92/96/714229296.db2.gz AMOUFJXVZRMOCT-LBPRGKRZSA-N 1 1 308.334 1.798 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933170677 714526616 /nfs/dbraw/zinc/52/66/16/714526616.db2.gz KNCKQGHXJQPFLT-KYOSRNDESA-N 1 1 322.361 1.902 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933967801 714710645 /nfs/dbraw/zinc/71/06/45/714710645.db2.gz PMSBHPRTTJUNQF-RRFJBIMHSA-N 1 1 308.334 1.118 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933967801 714710648 /nfs/dbraw/zinc/71/06/48/714710648.db2.gz PMSBHPRTTJUNQF-RRFJBIMHSA-N 1 1 308.334 1.118 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122785 714748863 /nfs/dbraw/zinc/74/88/63/714748863.db2.gz WOIFGXQCGSYYQT-ZIAGYGMSSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122785 714748866 /nfs/dbraw/zinc/74/88/66/714748866.db2.gz WOIFGXQCGSYYQT-ZIAGYGMSSA-N 1 1 307.350 1.951 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936059006 715146742 /nfs/dbraw/zinc/14/67/42/715146742.db2.gz KFULLBDQFWEJMB-NSHDSACASA-N 1 1 311.386 1.336 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000611712216 719389432 /nfs/dbraw/zinc/38/94/32/719389432.db2.gz XZWBNTJGLXWLND-KBPBESRZSA-N 1 1 315.333 1.057 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001120959083 782257499 /nfs/dbraw/zinc/25/74/99/782257499.db2.gz FLZNAZYKKRXQIA-AAEUAGOBSA-N 1 1 308.382 1.650 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001167351560 733273743 /nfs/dbraw/zinc/27/37/43/733273743.db2.gz UPFCJEAQJWQWSJ-UHFFFAOYSA-N 1 1 322.328 1.781 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064142 734369170 /nfs/dbraw/zinc/36/91/70/734369170.db2.gz YFFFSJWZLSEVGQ-LXTVHRRPSA-N 1 1 321.352 1.558 20 5 DDBDMO COCCC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001194621732 746427771 /nfs/dbraw/zinc/42/77/71/746427771.db2.gz DKTNDMWUTAZHNV-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO COCCC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001194621732 746427776 /nfs/dbraw/zinc/42/77/76/746427776.db2.gz DKTNDMWUTAZHNV-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO CCOCC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001194725347 746450129 /nfs/dbraw/zinc/45/01/29/746450129.db2.gz DBYXJSRNHSLAEJ-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO CCOCC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001194725347 746450131 /nfs/dbraw/zinc/45/01/31/746450131.db2.gz DBYXJSRNHSLAEJ-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095625192 750093104 /nfs/dbraw/zinc/09/31/04/750093104.db2.gz CGJFAMHBQFBCOR-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023990 762202194 /nfs/dbraw/zinc/20/21/94/762202194.db2.gz WLVSQIZRNPORGQ-RWMBFGLXSA-N 1 1 308.382 1.411 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023990 762202197 /nfs/dbraw/zinc/20/21/97/762202197.db2.gz WLVSQIZRNPORGQ-RWMBFGLXSA-N 1 1 308.382 1.411 20 5 DDBDMO CC(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000148612 761541853 /nfs/dbraw/zinc/54/18/53/761541853.db2.gz HHXCHXMFZCVLMP-ZIAGYGMSSA-N 1 1 309.410 1.668 20 5 DDBDMO COc1ccc(C[C@H](C)N2CC[N@H+]3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355644 766261903 /nfs/dbraw/zinc/26/19/03/766261903.db2.gz NNVKFSAQQBSHDU-JSGCOSHPSA-N 1 1 305.378 1.924 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001147741599 773227602 /nfs/dbraw/zinc/22/76/02/773227602.db2.gz GEKCQQIFFCEZMA-JQWIXIFHSA-N 1 1 321.381 1.517 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cnc(C[NH3+])n2)c1F ZINC001173188168 777036371 /nfs/dbraw/zinc/03/63/71/777036371.db2.gz IUIUVAMUIXUALE-MRVPVSSYSA-N 1 1 309.301 1.596 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@H](CO)C2)c1F ZINC001173188883 777036633 /nfs/dbraw/zinc/03/66/33/777036633.db2.gz HPOYHAGYPWJTRD-MNOVXSKESA-N 1 1 312.341 1.988 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001173221013 777053314 /nfs/dbraw/zinc/05/33/14/777053314.db2.gz FGARWIVFGRAKBR-WBMJQRKESA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001173231959 777063901 /nfs/dbraw/zinc/06/39/01/777063901.db2.gz DPIMFNQALBQANR-SMDDNHRTSA-N 1 1 305.334 1.662 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001173231959 777063907 /nfs/dbraw/zinc/06/39/07/777063907.db2.gz DPIMFNQALBQANR-SMDDNHRTSA-N 1 1 305.334 1.662 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175698008 777863593 /nfs/dbraw/zinc/86/35/93/777863593.db2.gz JTDWPXODDKOWED-SECBINFHSA-N 1 1 308.729 1.751 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175698008 777863598 /nfs/dbraw/zinc/86/35/98/777863598.db2.gz JTDWPXODDKOWED-SECBINFHSA-N 1 1 308.729 1.751 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC001177513628 778629821 /nfs/dbraw/zinc/62/98/21/778629821.db2.gz FWUUGDXOEUECEV-UHFFFAOYSA-N 1 1 318.337 1.220 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2cc([N+](=O)[O-])cc3c2OCCO3)o1 ZINC001117229309 780692834 /nfs/dbraw/zinc/69/28/34/780692834.db2.gz SBQNCWOSVBZZOQ-UHFFFAOYSA-N 1 1 306.278 1.478 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001326482977 861401127 /nfs/dbraw/zinc/40/11/27/861401127.db2.gz RWIOCRZAZLYFOF-UHFFFAOYSA-N 1 1 322.340 1.402 20 5 DDBDMO [NH3+]Cc1ncn(-c2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC001168753726 848078471 /nfs/dbraw/zinc/07/84/71/848078471.db2.gz GFSSMVSVZSZAMB-UHFFFAOYSA-N 1 1 313.277 1.217 20 5 DDBDMO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001293397080 852866846 /nfs/dbraw/zinc/86/68/46/852866846.db2.gz ZEVRZNTWMGWPFZ-LBPRGKRZSA-N 1 1 306.366 1.194 20 5 DDBDMO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC001293397080 852866850 /nfs/dbraw/zinc/86/68/50/852866850.db2.gz ZEVRZNTWMGWPFZ-LBPRGKRZSA-N 1 1 306.366 1.194 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)o1 ZINC001328432659 862970160 /nfs/dbraw/zinc/97/01/60/862970160.db2.gz HWQVECPHLGZDKB-UHFFFAOYSA-N 1 1 314.305 1.892 20 5 DDBDMO CC(CC(=O)OC(C)C)=Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156515132 863114719 /nfs/dbraw/zinc/11/47/19/863114719.db2.gz XEICIJLPLHSIHZ-WTKPLQERSA-N 1 1 321.337 1.339 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[C@H]2C(=O)O3)ncc1[N+](=O)[O-] ZINC001157295833 863720628 /nfs/dbraw/zinc/72/06/28/863720628.db2.gz MBGRRPHWYXIQLA-SEUFLZDSSA-N 1 1 304.306 1.026 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C[C@H]2C1 ZINC001157690357 864049591 /nfs/dbraw/zinc/04/95/91/864049591.db2.gz DDWXMWDIZRIWPX-BETUJISGSA-N 1 1 306.366 1.315 20 5 DDBDMO Cc1ccc(NC(=O)[C@H](C)C[NH+]2CCOCC2)c(N)c1[N+](=O)[O-] ZINC001158232507 864504926 /nfs/dbraw/zinc/50/49/26/864504926.db2.gz XHUZQQJAFFFPNI-LLVKDONJSA-N 1 1 322.365 1.392 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001333072399 866393717 /nfs/dbraw/zinc/39/37/17/866393717.db2.gz WKODNGJBVHSPAE-UHFFFAOYSA-N 1 1 311.313 1.624 20 5 DDBDMO CN1CC[NH+](CCCNc2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC001161700618 866906258 /nfs/dbraw/zinc/90/62/58/866906258.db2.gz NCQZJXUXLBTVED-UHFFFAOYSA-N 1 1 314.777 1.088 20 5 DDBDMO COc1nc(NC2C[NH+](C(C)(C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162220764 867351529 /nfs/dbraw/zinc/35/15/29/867351529.db2.gz ACNVXGIWWSEYGC-UHFFFAOYSA-N 1 1 311.342 1.297 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001324580464 867371118 /nfs/dbraw/zinc/37/11/18/867371118.db2.gz MLGVWEUIYPRSNJ-YGRLFVJLSA-N 1 1 304.350 1.413 20 5 DDBDMO Cc1cnc(Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)c(=O)[nH]1 ZINC001162715092 867760566 /nfs/dbraw/zinc/76/05/66/867760566.db2.gz HHNXXMYOEYLVGF-SNAWJCMRSA-N 1 1 316.321 1.657 20 5 DDBDMO Cc1ncc([N+](=O)[O-])c(NCC[C@H]2CC[NH2+]CC2(F)F)n1 ZINC001162811451 867846169 /nfs/dbraw/zinc/84/61/69/867846169.db2.gz ZHDDLYDXJUEMFA-SECBINFHSA-N 1 1 301.297 1.740 20 5 DDBDMO CN(C)C1(CNc2cnc(F)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001164213030 869022836 /nfs/dbraw/zinc/02/28/36/869022836.db2.gz MAYREVVCJVGJCJ-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC([NH2+]C3COC3)C2)c2ccncc21 ZINC001164220933 869030860 /nfs/dbraw/zinc/03/08/60/869030860.db2.gz PSFRGKRTVLQMDJ-UHFFFAOYSA-N 1 1 300.318 1.320 20 5 DDBDMO CN(C)/C=C\c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147390 869408143 /nfs/dbraw/zinc/40/81/43/869408143.db2.gz FKAQKHXNOFFWIL-XTBPLBNGSA-N 1 1 317.393 1.520 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001338464793 869993197 /nfs/dbraw/zinc/99/31/97/869993197.db2.gz QRRKFOLAYBPVNA-FPMFFAJLSA-N 1 1 321.352 1.733 20 5 DDBDMO CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1=O ZINC001166691595 870157203 /nfs/dbraw/zinc/15/72/03/870157203.db2.gz AAKBOSNYOYCVDN-CYBMUJFWSA-N 1 1 304.350 1.225 20 5 DDBDMO CN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1=O ZINC001166691595 870157207 /nfs/dbraw/zinc/15/72/07/870157207.db2.gz AAKBOSNYOYCVDN-CYBMUJFWSA-N 1 1 304.350 1.225 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2nccs2)cc1 ZINC001203582387 870650851 /nfs/dbraw/zinc/65/08/51/870650851.db2.gz FEIZBIKLMTXCSJ-DGCLKSJQSA-N 1 1 309.347 1.235 20 5 DDBDMO Cc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001311323313 871694228 /nfs/dbraw/zinc/69/42/28/871694228.db2.gz UGWMFVKADKRFDH-CQSZACIVSA-N 1 1 308.338 1.091 20 5 DDBDMO CO[C@@H]1CC[C@H]1N(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001345464658 873413291 /nfs/dbraw/zinc/41/32/91/873413291.db2.gz AJSKPXZKMPDTEP-UMVBOHGHSA-N 1 1 307.350 1.405 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001348747746 874758281 /nfs/dbraw/zinc/75/82/81/874758281.db2.gz PBKDVQJZQYUTPO-XQQFMLRXSA-N 1 1 318.377 1.463 20 5 DDBDMO C[C@@H](OCC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001222543321 880549332 /nfs/dbraw/zinc/54/93/32/880549332.db2.gz NSHZRUDZKYSOQL-GFCCVEGCSA-N 1 1 307.350 1.446 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOCc2ncc(C)c([N+](=O)[O-])c2C)C1 ZINC001224185865 881260630 /nfs/dbraw/zinc/26/06/30/881260630.db2.gz RNIBSKPMUSXDFS-CYBMUJFWSA-N 1 1 309.366 1.844 20 5 DDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227694219 883135841 /nfs/dbraw/zinc/13/58/41/883135841.db2.gz FGJIUFWFUTYLPH-WDAIWFPHSA-N 1 1 317.349 1.975 20 5 DDBDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(C3CC3)[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228607513 883572349 /nfs/dbraw/zinc/57/23/49/883572349.db2.gz WBGYYDYTBSLRGV-JGPRNRPPSA-N 1 1 320.349 1.972 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(C3CC3)[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228607513 883572357 /nfs/dbraw/zinc/57/23/57/883572357.db2.gz WBGYYDYTBSLRGV-JGPRNRPPSA-N 1 1 320.349 1.972 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc4n[nH]cc4cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230594488 884631230 /nfs/dbraw/zinc/63/12/30/884631230.db2.gz FZYSZPLWTIPDON-BHYNMZESSA-N 1 1 316.317 1.654 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc4n[nH]cc4cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230594488 884631239 /nfs/dbraw/zinc/63/12/39/884631239.db2.gz FZYSZPLWTIPDON-BHYNMZESSA-N 1 1 316.317 1.654 20 5 DDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763178 884845965 /nfs/dbraw/zinc/84/59/65/884845965.db2.gz UBYHXPHFSKRRGN-ZIAGYGMSSA-N 1 1 306.366 1.075 20 5 DDBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001230763178 884845981 /nfs/dbraw/zinc/84/59/81/884845981.db2.gz UBYHXPHFSKRRGN-ZIAGYGMSSA-N 1 1 306.366 1.075 20 5 DDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001230763178 884845995 /nfs/dbraw/zinc/84/59/95/884845995.db2.gz UBYHXPHFSKRRGN-ZIAGYGMSSA-N 1 1 306.366 1.075 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233702914 887237676 /nfs/dbraw/zinc/23/76/76/887237676.db2.gz RMAQMQUBVVDWGR-PCTYZZJISA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)[C@H]1CC(=O)C2 ZINC001233702914 887237690 /nfs/dbraw/zinc/23/76/90/887237690.db2.gz RMAQMQUBVVDWGR-PCTYZZJISA-N 1 1 321.289 1.686 20 5 DDBDMO COc1cc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001289377337 913190380 /nfs/dbraw/zinc/19/03/80/913190380.db2.gz RIIMWUNMHUKSCD-WBMJQRKESA-N 1 1 319.361 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](F)[C@H](O)C3)CC2)cc1 ZINC001254473927 896455695 /nfs/dbraw/zinc/45/56/95/896455695.db2.gz JRDYLFDMQZAHSL-HZPDHXFCSA-N 1 1 323.368 1.968 20 5 DDBDMO CCC(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596339 896520907 /nfs/dbraw/zinc/52/09/07/896520907.db2.gz CPWOOLYCRDOSNJ-HNNXBMFYSA-N 1 1 303.362 1.616 20 5 DDBDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254606467 896527834 /nfs/dbraw/zinc/52/78/34/896527834.db2.gz GTPHTMKUKYAWHD-CAOSSQGBSA-N 1 1 316.357 1.803 20 5 DDBDMO O=C1NCC[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]12 ZINC001254608758 896529959 /nfs/dbraw/zinc/52/99/59/896529959.db2.gz SLUNJKYSTNQONM-NILFDRSVSA-N 1 1 301.346 1.130 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(CC(F)F)CC1)C2 ZINC001254609551 896531428 /nfs/dbraw/zinc/53/14/28/896531428.db2.gz XCTGJJVTNKDCRN-CQSZACIVSA-N 1 1 311.332 1.945 20 5 DDBDMO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)s1 ZINC001280480532 903723299 /nfs/dbraw/zinc/72/32/99/903723299.db2.gz RIYVWIAUPYYPRJ-VXGBXAGGSA-N 1 1 324.406 1.245 20 5 DDBDMO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1CCO ZINC000302443699 230247973 /nfs/dbraw/zinc/24/79/73/230247973.db2.gz QWVBYNWSHUKIGD-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614895480 362066388 /nfs/dbraw/zinc/06/63/88/362066388.db2.gz VCNYMOVXJRZRGT-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614895480 362066391 /nfs/dbraw/zinc/06/63/91/362066391.db2.gz VCNYMOVXJRZRGT-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC000272768226 210172567 /nfs/dbraw/zinc/17/25/67/210172567.db2.gz WYWNPNRHLXLBQG-GWCFXTLKSA-N 1 1 305.338 1.548 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272655473 282318080 /nfs/dbraw/zinc/31/80/80/282318080.db2.gz QOENHQLPGOEZRN-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286724888 219131394 /nfs/dbraw/zinc/13/13/94/219131394.db2.gz XKNFWFYTUWKRAW-LLVKDONJSA-N 1 1 306.366 1.220 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272747223 210151215 /nfs/dbraw/zinc/15/12/15/210151215.db2.gz SBSTWOPDFCTEDS-UHFFFAOYSA-N 1 1 304.310 1.707 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000181706847 199341657 /nfs/dbraw/zinc/34/16/57/199341657.db2.gz ZXVGBDRWWXNVCC-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045753204 352422723 /nfs/dbraw/zinc/42/27/23/352422723.db2.gz LGBLTSUGWVIAHP-UONOGXRCSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045753204 352422725 /nfs/dbraw/zinc/42/27/25/352422725.db2.gz LGBLTSUGWVIAHP-UONOGXRCSA-N 1 1 310.350 1.445 20 5 DDBDMO COC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000172894020 198165036 /nfs/dbraw/zinc/16/50/36/198165036.db2.gz IHRBWDGWUBJIFT-GFCCVEGCSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000172894020 198165038 /nfs/dbraw/zinc/16/50/38/198165038.db2.gz IHRBWDGWUBJIFT-GFCCVEGCSA-N 1 1 323.349 1.271 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000173181327 198192557 /nfs/dbraw/zinc/19/25/57/198192557.db2.gz JCAYCOCRPXDHAY-CYBMUJFWSA-N 1 1 303.362 1.738 20 5 DDBDMO COc1ccc(CC(=O)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000067906684 353074349 /nfs/dbraw/zinc/07/43/49/353074349.db2.gz RNXOKBLTFOGACX-UHFFFAOYSA-N 1 1 323.393 1.992 20 5 DDBDMO Cc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000074095619 353290625 /nfs/dbraw/zinc/29/06/25/353290625.db2.gz RPLRYYKDUYBMCS-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000074105743 353292655 /nfs/dbraw/zinc/29/26/55/353292655.db2.gz WFJRXAJIVRZKBI-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000174294506 198316566 /nfs/dbraw/zinc/31/65/66/198316566.db2.gz REURMGBCFKZUCO-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000174294506 198316568 /nfs/dbraw/zinc/31/65/68/198316568.db2.gz REURMGBCFKZUCO-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174705451 198372806 /nfs/dbraw/zinc/37/28/06/198372806.db2.gz CTWDBUBROAVZIN-VIFPVBQESA-N 1 1 313.741 1.501 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174705451 198372807 /nfs/dbraw/zinc/37/28/07/198372807.db2.gz CTWDBUBROAVZIN-VIFPVBQESA-N 1 1 313.741 1.501 20 5 DDBDMO Cc1cnc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078632057 353526295 /nfs/dbraw/zinc/52/62/95/353526295.db2.gz AAFNLQFZZPJSRD-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000355776138 291003644 /nfs/dbraw/zinc/00/36/44/291003644.db2.gz BBSUGMQCQXLIPY-CABCVRRESA-N 1 1 324.381 1.045 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000080375432 353604575 /nfs/dbraw/zinc/60/45/75/353604575.db2.gz VELYGBNLFDTHIP-UHFFFAOYSA-N 1 1 318.333 1.685 20 5 DDBDMO Cc1cc(N2CCCC[C@@H]2C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080605364 353618037 /nfs/dbraw/zinc/61/80/37/353618037.db2.gz KIHVQEVFZOYEHL-CQSZACIVSA-N 1 1 320.393 1.989 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000088725774 353757796 /nfs/dbraw/zinc/75/77/96/353757796.db2.gz DJHJPHFXXFFEFR-OAHLLOKOSA-N 1 1 309.366 1.398 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000089267231 353763396 /nfs/dbraw/zinc/76/33/96/353763396.db2.gz DVGTVCJZRXIXNC-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000089267231 353763400 /nfs/dbraw/zinc/76/34/00/353763400.db2.gz DVGTVCJZRXIXNC-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000124894904 354043141 /nfs/dbraw/zinc/04/31/41/354043141.db2.gz QZHXIVIBWXTYDA-UHFFFAOYSA-N 1 1 305.334 1.280 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000144000699 354152561 /nfs/dbraw/zinc/15/25/61/354152561.db2.gz SIQUMQIABSPGHP-SNVBAGLBSA-N 1 1 305.334 1.570 20 5 DDBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157813295 354226821 /nfs/dbraw/zinc/22/68/21/354226821.db2.gz OLNGSEGAEQVKJF-ZANVPECISA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157813295 354226823 /nfs/dbraw/zinc/22/68/23/354226823.db2.gz OLNGSEGAEQVKJF-ZANVPECISA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C1CC1 ZINC000305721033 354471242 /nfs/dbraw/zinc/47/12/42/354471242.db2.gz IIVOKQRTTSZROA-YGRLFVJLSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C1CC1 ZINC000305721033 354471243 /nfs/dbraw/zinc/47/12/43/354471243.db2.gz IIVOKQRTTSZROA-YGRLFVJLSA-N 1 1 307.350 1.625 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2cccc(F)c2)n1 ZINC000494226614 235009509 /nfs/dbraw/zinc/00/95/09/235009509.db2.gz IWZHLXGQQFFIEF-UHFFFAOYSA-N 1 1 308.313 1.425 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977627 354953543 /nfs/dbraw/zinc/95/35/43/354953543.db2.gz QPXPQEGHZXDXJL-NSHDSACASA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977627 354953545 /nfs/dbraw/zinc/95/35/45/354953545.db2.gz QPXPQEGHZXDXJL-NSHDSACASA-N 1 1 320.349 1.039 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C1CC1 ZINC000589198284 354972721 /nfs/dbraw/zinc/97/27/21/354972721.db2.gz YPULFFCSHWALHC-ZDUSSCGKSA-N 1 1 308.334 1.569 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447422 355099449 /nfs/dbraw/zinc/09/94/49/355099449.db2.gz XDCSNEKQAIPBIM-PWSUYJOCSA-N 1 1 305.334 1.380 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000591138797 355253466 /nfs/dbraw/zinc/25/34/66/355253466.db2.gz VLYGFVQSXJYMBI-ZDUSSCGKSA-N 1 1 324.356 1.820 20 5 DDBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593066440 355785668 /nfs/dbraw/zinc/78/56/68/355785668.db2.gz DFIKAPDUOUSECX-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000593754446 355987248 /nfs/dbraw/zinc/98/72/48/355987248.db2.gz NGEFAIPJLVBGEE-UHFFFAOYSA-N 1 1 308.382 1.885 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC000595025972 356373823 /nfs/dbraw/zinc/37/38/23/356373823.db2.gz LSBOHSRSCOWTQO-NSHDSACASA-N 1 1 323.349 1.113 20 5 DDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184337714 199704036 /nfs/dbraw/zinc/70/40/36/199704036.db2.gz XUVLXWWKATVMPM-CYBMUJFWSA-N 1 1 320.393 1.351 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595528105 356534469 /nfs/dbraw/zinc/53/44/69/356534469.db2.gz PYZVJSDWAHZNQM-TUAOUCFPSA-N 1 1 311.338 1.253 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CCCO1 ZINC000347094713 283175954 /nfs/dbraw/zinc/17/59/54/283175954.db2.gz DZNWNCIHDJSWHG-LBPRGKRZSA-N 1 1 324.381 1.164 20 5 DDBDMO COc1cc(C[N@@H+](CCOCCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595595740 356568422 /nfs/dbraw/zinc/56/84/22/356568422.db2.gz LOIUJBAETUJHCB-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595744679 356632321 /nfs/dbraw/zinc/63/23/21/356632321.db2.gz LRQHOAVMZPMEKQ-VXGBXAGGSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]1(C)CO ZINC000595873339 356687384 /nfs/dbraw/zinc/68/73/84/356687384.db2.gz LVCGPQARYWNKSD-ZUZCIYMTSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]1(C)CO ZINC000595873339 356687386 /nfs/dbraw/zinc/68/73/86/356687386.db2.gz LVCGPQARYWNKSD-ZUZCIYMTSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595869412 356685988 /nfs/dbraw/zinc/68/59/88/356685988.db2.gz CWGFIAOHWNAVAQ-HWWQOWPSSA-N 1 1 321.377 1.872 20 5 DDBDMO COCC[N@@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596076052 356763661 /nfs/dbraw/zinc/76/36/61/356763661.db2.gz BSALCGKIMRCOFA-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO COCC[N@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596076052 356763664 /nfs/dbraw/zinc/76/36/64/356763664.db2.gz BSALCGKIMRCOFA-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000596420132 356873640 /nfs/dbraw/zinc/87/36/40/356873640.db2.gz XEPQBVFKNHBYKC-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537432 356910392 /nfs/dbraw/zinc/91/03/92/356910392.db2.gz FXKOJHRVURLXDY-ZDUSSCGKSA-N 1 1 306.366 1.334 20 5 DDBDMO CCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000596817665 356985046 /nfs/dbraw/zinc/98/50/46/356985046.db2.gz PUYAZPDOGKZDOP-NSHDSACASA-N 1 1 307.354 1.360 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715581 357299848 /nfs/dbraw/zinc/29/98/48/357299848.db2.gz MWIAPFIQEOAUNU-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715581 357299849 /nfs/dbraw/zinc/29/98/49/357299849.db2.gz MWIAPFIQEOAUNU-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715581 357299851 /nfs/dbraw/zinc/29/98/51/357299851.db2.gz MWIAPFIQEOAUNU-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000597945058 357393516 /nfs/dbraw/zinc/39/35/16/357393516.db2.gz HHVSOADOLBTNJP-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000598342276 357545689 /nfs/dbraw/zinc/54/56/89/357545689.db2.gz LMGHEJPVDZDDOA-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CC[N@@H+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000598605325 357650876 /nfs/dbraw/zinc/65/08/76/357650876.db2.gz AZYWEIQJZGTFTA-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO CC[N@H+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000598605325 357650879 /nfs/dbraw/zinc/65/08/79/357650879.db2.gz AZYWEIQJZGTFTA-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO COC(=O)c1ccnc(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598617200 357655756 /nfs/dbraw/zinc/65/57/56/357655756.db2.gz ICFVZEHWQAKGRN-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598745585 357713121 /nfs/dbraw/zinc/71/31/21/357713121.db2.gz KQYVDRHULMIESV-SNVBAGLBSA-N 1 1 322.365 1.546 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914020 357756993 /nfs/dbraw/zinc/75/69/93/357756993.db2.gz VKUXHAPNZAHFIV-CYBMUJFWSA-N 1 1 314.292 1.899 20 5 DDBDMO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000599071089 357807707 /nfs/dbraw/zinc/80/77/07/357807707.db2.gz PQPDHPIGUKWLIM-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO Cc1cc(N2CC(CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599109948 357818317 /nfs/dbraw/zinc/81/83/17/357818317.db2.gz ZAEXSPGMETYRNX-UHFFFAOYSA-N 1 1 304.394 1.587 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276711946 213061541 /nfs/dbraw/zinc/06/15/41/213061541.db2.gz YLWKXRMZWYBBBZ-CYBMUJFWSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276711946 213061545 /nfs/dbraw/zinc/06/15/45/213061545.db2.gz YLWKXRMZWYBBBZ-CYBMUJFWSA-N 1 1 315.377 1.801 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600473146 358234820 /nfs/dbraw/zinc/23/48/20/358234820.db2.gz RXWLVDIBCCQWHH-LBPRGKRZSA-N 1 1 306.366 1.680 20 5 DDBDMO CC(C)(C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600808837 358320907 /nfs/dbraw/zinc/32/09/07/358320907.db2.gz SQXBMYOMFBZDNF-AWEZNQCLSA-N 1 1 321.377 1.055 20 5 DDBDMO CC(C)C(=O)NCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601099968 358402270 /nfs/dbraw/zinc/40/22/70/358402270.db2.gz CGDJLWUDZSWSLH-UHFFFAOYSA-N 1 1 302.334 1.749 20 5 DDBDMO Cc1cnn(C)c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149163 358422501 /nfs/dbraw/zinc/42/25/01/358422501.db2.gz KBOHWSPANIQUHP-HNNXBMFYSA-N 1 1 304.350 1.634 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000601583510 358611741 /nfs/dbraw/zinc/61/17/41/358611741.db2.gz BULNLEZDMKSBNN-GHMZBOCLSA-N 1 1 323.324 1.015 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000601974149 358760943 /nfs/dbraw/zinc/76/09/43/358760943.db2.gz PLKVITFSEFZYES-TXEJJXNPSA-N 1 1 305.334 1.136 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602446783 358982332 /nfs/dbraw/zinc/98/23/32/358982332.db2.gz AVBGTKYOCCSVBW-UHFFFAOYSA-N 1 1 309.414 1.881 20 5 DDBDMO CO[C@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCOC1 ZINC000602689095 359127247 /nfs/dbraw/zinc/12/72/47/359127247.db2.gz QSPULLAVXWQNIN-BLLLJJGKSA-N 1 1 322.361 1.709 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000602829156 359221365 /nfs/dbraw/zinc/22/13/65/359221365.db2.gz QCJWTOODIWIUTP-CYBMUJFWSA-N 1 1 321.381 1.044 20 5 DDBDMO C[C@@](CO)([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963661 359326900 /nfs/dbraw/zinc/32/69/00/359326900.db2.gz YDAQMWLWCHBAMW-QWRGUYRKSA-N 1 1 308.256 1.315 20 5 DDBDMO CO[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964440 359327843 /nfs/dbraw/zinc/32/78/43/359327843.db2.gz PNLVSYXNQSMROH-CVEARBPZSA-N 1 1 324.377 1.835 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCCn1cc(C[NH+]2CCCC2)nn1 ZINC000603202731 359477892 /nfs/dbraw/zinc/47/78/92/359477892.db2.gz XRERCRYRYZATDY-UHFFFAOYSA-N 1 1 317.349 1.861 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000186787290 200010033 /nfs/dbraw/zinc/01/00/33/200010033.db2.gz RYCHDWKQRXKZHQ-FZMZJTMJSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186766392 200006111 /nfs/dbraw/zinc/00/61/11/200006111.db2.gz HFBXFUUYFWPKBJ-UFBFGSQYSA-N 1 1 303.322 1.199 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000186912472 200030683 /nfs/dbraw/zinc/03/06/83/200030683.db2.gz AXUIWIAXEJUMSC-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000186912472 200030684 /nfs/dbraw/zinc/03/06/84/200030684.db2.gz AXUIWIAXEJUMSC-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186931632 200033240 /nfs/dbraw/zinc/03/32/40/200033240.db2.gz HUDQTVUXGWQZQH-GFCCVEGCSA-N 1 1 321.377 1.512 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000186987036 200043691 /nfs/dbraw/zinc/04/36/91/200043691.db2.gz QZZFPZDLQJQLPO-UHFFFAOYSA-N 1 1 322.365 1.116 20 5 DDBDMO CO[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189330477 200383031 /nfs/dbraw/zinc/38/30/31/200383031.db2.gz FWNVTPSLKZWTNH-YGRLFVJLSA-N 1 1 307.350 1.551 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000609672353 360342891 /nfs/dbraw/zinc/34/28/91/360342891.db2.gz BFBVSPAOFBYEFH-CQSZACIVSA-N 1 1 324.450 1.868 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605353 360480879 /nfs/dbraw/zinc/48/08/79/360480879.db2.gz ZMHUPJLJGJBCGV-KBPBESRZSA-N 1 1 310.350 1.445 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610615616 360482696 /nfs/dbraw/zinc/48/26/96/360482696.db2.gz ZOYYHHJGIDEGIQ-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610615616 360482702 /nfs/dbraw/zinc/48/27/02/360482702.db2.gz ZOYYHHJGIDEGIQ-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(CO)CC1)OCCO2 ZINC000611253873 360680975 /nfs/dbraw/zinc/68/09/75/360680975.db2.gz UXAWDHMIEVJOFV-UHFFFAOYSA-N 1 1 308.334 1.570 20 5 DDBDMO COc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000611348847 360703766 /nfs/dbraw/zinc/70/37/66/360703766.db2.gz MUAZPJOAMCYROS-CQSZACIVSA-N 1 1 321.377 1.510 20 5 DDBDMO COc1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000611516706 360744397 /nfs/dbraw/zinc/74/43/97/360744397.db2.gz DCOFHZXKSVRTIL-CQSZACIVSA-N 1 1 321.377 1.510 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525983 360747746 /nfs/dbraw/zinc/74/77/46/360747746.db2.gz WQLDQAXWSHYPJC-LLVKDONJSA-N 1 1 308.382 1.447 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564060 360761259 /nfs/dbraw/zinc/76/12/59/360761259.db2.gz VAXGEIWCBLSGSI-NEPJUHHUSA-N 1 1 322.361 1.959 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291872 216215567 /nfs/dbraw/zinc/21/55/67/216215567.db2.gz GXTOBPPXXVPZPQ-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293037203 223363752 /nfs/dbraw/zinc/36/37/52/223363752.db2.gz GSXKKSCTWHLNOF-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293037203 223363755 /nfs/dbraw/zinc/36/37/55/223363755.db2.gz GSXKKSCTWHLNOF-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261732112 203104936 /nfs/dbraw/zinc/10/49/36/203104936.db2.gz MAIBBBLIJBJANC-LLVKDONJSA-N 1 1 318.358 1.838 20 5 DDBDMO C[C@@H](c1cccnc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000093228078 193219327 /nfs/dbraw/zinc/21/93/27/193219327.db2.gz DOUOGPNHURWRFK-LBPRGKRZSA-N 1 1 302.334 1.845 20 5 DDBDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000271731143 209163532 /nfs/dbraw/zinc/16/35/32/209163532.db2.gz MZSCYGMMOWYSQD-FRRDWIJNSA-N 1 1 321.377 1.929 20 5 DDBDMO COC(C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1)OC ZINC000282645865 217149641 /nfs/dbraw/zinc/14/96/41/217149641.db2.gz BZMNSIUTACXWPD-UHFFFAOYSA-N 1 1 316.329 1.537 20 5 DDBDMO COC(C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(F)c1)OC ZINC000282645865 217149645 /nfs/dbraw/zinc/14/96/45/217149645.db2.gz BZMNSIUTACXWPD-UHFFFAOYSA-N 1 1 316.329 1.537 20 5 DDBDMO Cc1n[nH]c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266081594 205081909 /nfs/dbraw/zinc/08/19/09/205081909.db2.gz DOFNDYPQOKPLRG-NSHDSACASA-N 1 1 309.370 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266081594 205081913 /nfs/dbraw/zinc/08/19/13/205081913.db2.gz DOFNDYPQOKPLRG-NSHDSACASA-N 1 1 309.370 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266081594 205081916 /nfs/dbraw/zinc/08/19/16/205081916.db2.gz DOFNDYPQOKPLRG-NSHDSACASA-N 1 1 309.370 1.573 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000266192878 205172314 /nfs/dbraw/zinc/17/23/14/205172314.db2.gz GZAMJZPOFFJMAH-JTQLQIEISA-N 1 1 305.338 1.909 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266480786 205377300 /nfs/dbraw/zinc/37/73/00/205377300.db2.gz SWXUSVXOTYHJJO-OAHLLOKOSA-N 1 1 304.350 1.593 20 5 DDBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000288459972 220155660 /nfs/dbraw/zinc/15/56/60/220155660.db2.gz DTFOVKLGRMLNDB-QPUJVOFHSA-N 1 1 318.782 1.771 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121056778 248265751 /nfs/dbraw/zinc/26/57/51/248265751.db2.gz CYWCVXRBMAGIBZ-AAEUAGOBSA-N 1 1 323.397 1.288 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284481182 218044716 /nfs/dbraw/zinc/04/47/16/218044716.db2.gz AWCVUDAWKDAUMK-GOEBONIOSA-N 1 1 321.377 1.379 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)[N@@H+](C)C1 ZINC000284551299 218075053 /nfs/dbraw/zinc/07/50/53/218075053.db2.gz GRQUULVHGIMYDP-STQMWFEESA-N 1 1 321.377 1.694 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000284923291 218235856 /nfs/dbraw/zinc/23/58/56/218235856.db2.gz UDBBXQCDVTWMIZ-ZBFHGGJFSA-N 1 1 321.377 1.508 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000109992242 194303525 /nfs/dbraw/zinc/30/35/25/194303525.db2.gz YGICHSORFYNEOZ-JTQLQIEISA-N 1 1 323.349 1.294 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000340992612 251323004 /nfs/dbraw/zinc/32/30/04/251323004.db2.gz NIMCABNANJMBNF-VIFPVBQESA-N 1 1 315.333 1.438 20 5 DDBDMO Cc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000352407030 285030342 /nfs/dbraw/zinc/03/03/42/285030342.db2.gz OQILLEMVAIUUPC-UHFFFAOYSA-N 1 1 302.338 1.727 20 5 DDBDMO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000120011036 195080487 /nfs/dbraw/zinc/08/04/87/195080487.db2.gz JNYKGRHIGMVOTR-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000120011036 195080489 /nfs/dbraw/zinc/08/04/89/195080489.db2.gz JNYKGRHIGMVOTR-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286510306 219028417 /nfs/dbraw/zinc/02/84/17/219028417.db2.gz MUPSXNNOVVJIHE-BBKQSLKASA-N 1 1 318.373 1.983 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000271100397 208623439 /nfs/dbraw/zinc/62/34/39/208623439.db2.gz PCBGEUMKXIJAAD-SNVBAGLBSA-N 1 1 312.345 1.400 20 5 DDBDMO C[C@@H](NC(=O)NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417128309 533153077 /nfs/dbraw/zinc/15/30/77/533153077.db2.gz IAKYPRIMDMNACQ-MRVPVSSYSA-N 1 1 302.281 1.549 20 5 DDBDMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000154876538 197001115 /nfs/dbraw/zinc/00/11/15/197001115.db2.gz NZVJARWHISDWFN-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000154876538 197001117 /nfs/dbraw/zinc/00/11/17/197001117.db2.gz NZVJARWHISDWFN-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000154876538 197001118 /nfs/dbraw/zinc/00/11/18/197001118.db2.gz NZVJARWHISDWFN-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000352696689 285235011 /nfs/dbraw/zinc/23/50/11/285235011.db2.gz JZUVJRYQXCGMNN-AEGPPILISA-N 1 1 310.350 1.180 20 5 DDBDMO CC[N@@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000078454177 407028226 /nfs/dbraw/zinc/02/82/26/407028226.db2.gz QRLKNLUOXOMXAH-UHFFFAOYSA-N 1 1 306.366 1.607 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055758717 407207244 /nfs/dbraw/zinc/20/72/44/407207244.db2.gz OZNOBUJGUHRTRN-FRRDWIJNSA-N 1 1 323.397 1.274 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067298486 407270313 /nfs/dbraw/zinc/27/03/13/407270313.db2.gz QHBPDEFNJHUYKR-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C)C1 ZINC000124198930 407350887 /nfs/dbraw/zinc/35/08/87/407350887.db2.gz OWYAETCEBVDMKE-JTQLQIEISA-N 1 1 313.379 1.140 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCOC1 ZINC000106883018 407365179 /nfs/dbraw/zinc/36/51/79/407365179.db2.gz JIUKTYOCSZXPSV-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000124806040 407369673 /nfs/dbraw/zinc/36/96/73/407369673.db2.gz OSWSKHMMASNORW-NSHDSACASA-N 1 1 320.305 1.321 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000265824052 407471965 /nfs/dbraw/zinc/47/19/65/407471965.db2.gz XILLIOWCEHITBJ-UHFFFAOYSA-N 1 1 305.313 1.794 20 5 DDBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000170793070 407509145 /nfs/dbraw/zinc/50/91/45/407509145.db2.gz UXLJIGREBAEZBB-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CCn1nccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128906472 407584261 /nfs/dbraw/zinc/58/42/61/407584261.db2.gz YCWFUIOBRDWHSB-GFCCVEGCSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1nccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128906472 407584268 /nfs/dbraw/zinc/58/42/68/407584268.db2.gz YCWFUIOBRDWHSB-GFCCVEGCSA-N 1 1 316.365 1.893 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266693382 407602151 /nfs/dbraw/zinc/60/21/51/407602151.db2.gz FIZNFKSRMGEBJX-CYBMUJFWSA-N 1 1 306.366 1.531 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000129485052 407611240 /nfs/dbraw/zinc/61/12/40/407611240.db2.gz BZMWSHRZGIWRQJ-HNNXBMFYSA-N 1 1 310.350 1.959 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000129485052 407611246 /nfs/dbraw/zinc/61/12/46/407611246.db2.gz BZMWSHRZGIWRQJ-HNNXBMFYSA-N 1 1 310.350 1.959 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000171312083 407655893 /nfs/dbraw/zinc/65/58/93/407655893.db2.gz OQWJKDASAVCYHI-UHFFFAOYSA-N 1 1 310.329 1.484 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000187049736 407814766 /nfs/dbraw/zinc/81/47/66/407814766.db2.gz IIPCIYQCONGYSB-UHFFFAOYSA-N 1 1 322.365 1.116 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118117447 407896392 /nfs/dbraw/zinc/89/63/92/407896392.db2.gz AVPVIQNYVQZLFN-LLVKDONJSA-N 1 1 322.365 1.380 20 5 DDBDMO Cc1c(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000154024528 407956452 /nfs/dbraw/zinc/95/64/52/407956452.db2.gz NSXBPFQOMKQSSA-MBNYWOFBSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1c(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000154024528 407956458 /nfs/dbraw/zinc/95/64/58/407956458.db2.gz NSXBPFQOMKQSSA-MBNYWOFBSA-N 1 1 324.377 1.752 20 5 DDBDMO CCCCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000272485264 407944002 /nfs/dbraw/zinc/94/40/02/407944002.db2.gz BMAGWZCNBXPTQD-UHFFFAOYSA-N 1 1 309.366 1.951 20 5 DDBDMO C[N@@H+](CCC1CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000135299298 408000714 /nfs/dbraw/zinc/00/07/14/408000714.db2.gz WVBNACWHRCOBKT-UHFFFAOYSA-N 1 1 321.333 1.994 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000189665671 408074382 /nfs/dbraw/zinc/07/43/82/408074382.db2.gz WVXCYPYYHCCJSO-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190067087 408156287 /nfs/dbraw/zinc/15/62/87/408156287.db2.gz RCGMBICRXCRSHD-JTQLQIEISA-N 1 1 317.349 1.748 20 5 DDBDMO C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822372 408256194 /nfs/dbraw/zinc/25/61/94/408256194.db2.gz PLXJOWNWGVAQCV-MNOVXSKESA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822372 408256199 /nfs/dbraw/zinc/25/61/99/408256199.db2.gz PLXJOWNWGVAQCV-MNOVXSKESA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822372 408256207 /nfs/dbraw/zinc/25/62/07/408256207.db2.gz PLXJOWNWGVAQCV-MNOVXSKESA-N 1 1 321.381 1.701 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000155729384 408204640 /nfs/dbraw/zinc/20/46/40/408204640.db2.gz YDBFUWREXOTGHK-UHFFFAOYSA-N 1 1 307.350 1.892 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000176226029 408315399 /nfs/dbraw/zinc/31/53/99/408315399.db2.gz BFZBMHZKZDSXEB-CQSZACIVSA-N 1 1 301.350 1.978 20 5 DDBDMO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000182898433 408276796 /nfs/dbraw/zinc/27/67/96/408276796.db2.gz QKBXPONARBPNJK-AWEZNQCLSA-N 1 1 315.329 1.857 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246557404 408290474 /nfs/dbraw/zinc/29/04/74/408290474.db2.gz WLBDONHHXDRCQM-KOLCDFICSA-N 1 1 309.370 1.339 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000269412476 408299440 /nfs/dbraw/zinc/29/94/40/408299440.db2.gz VSBDKUSWYQDCLU-NSHDSACASA-N 1 1 323.397 1.903 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000269416776 408300310 /nfs/dbraw/zinc/30/03/10/408300310.db2.gz WOPGQAOASPXKRP-UHFFFAOYSA-N 1 1 321.381 1.609 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000269416776 408300321 /nfs/dbraw/zinc/30/03/21/408300321.db2.gz WOPGQAOASPXKRP-UHFFFAOYSA-N 1 1 321.381 1.609 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000269416776 408300326 /nfs/dbraw/zinc/30/03/26/408300326.db2.gz WOPGQAOASPXKRP-UHFFFAOYSA-N 1 1 321.381 1.609 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176550743 408392907 /nfs/dbraw/zinc/39/29/07/408392907.db2.gz RONGWVVISJGCRO-NEPJUHHUSA-N 1 1 318.377 1.876 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176612712 408404357 /nfs/dbraw/zinc/40/43/57/408404357.db2.gz AKEUCSWDNHJMHS-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO Nc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccn1 ZINC000191439581 408425635 /nfs/dbraw/zinc/42/56/35/408425635.db2.gz WEQIVJBVGQZDJT-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247943358 408516052 /nfs/dbraw/zinc/51/60/52/408516052.db2.gz HGEKGTVOQDGRMY-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247943358 408516056 /nfs/dbraw/zinc/51/60/56/408516056.db2.gz HGEKGTVOQDGRMY-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000177422163 408609878 /nfs/dbraw/zinc/60/98/78/408609878.db2.gz KAIPTDHCNXJSHP-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000177422163 408609881 /nfs/dbraw/zinc/60/98/81/408609881.db2.gz KAIPTDHCNXJSHP-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000177422163 408609884 /nfs/dbraw/zinc/60/98/84/408609884.db2.gz KAIPTDHCNXJSHP-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000248671857 408613393 /nfs/dbraw/zinc/61/33/93/408613393.db2.gz UIZOSUXAAVFQQE-NSHDSACASA-N 1 1 311.386 1.277 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000248671857 408613399 /nfs/dbraw/zinc/61/33/99/408613399.db2.gz UIZOSUXAAVFQQE-NSHDSACASA-N 1 1 311.386 1.277 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192646774 408624061 /nfs/dbraw/zinc/62/40/61/408624061.db2.gz ZAJZBEXLTFMJHT-ZUZCIYMTSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192646774 408624066 /nfs/dbraw/zinc/62/40/66/408624066.db2.gz ZAJZBEXLTFMJHT-ZUZCIYMTSA-N 1 1 318.333 1.330 20 5 DDBDMO CCc1ccc([C@@H](COC)[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000184805103 408694192 /nfs/dbraw/zinc/69/41/92/408694192.db2.gz XKXXLJHMAVQRBM-CYBMUJFWSA-N 1 1 308.338 1.924 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251933780 408790974 /nfs/dbraw/zinc/79/09/74/408790974.db2.gz UBUONCFZSBKOJG-JGGQBBKZSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185371890 408801360 /nfs/dbraw/zinc/80/13/60/408801360.db2.gz SVDXINWJTKOVKD-ZDUSSCGKSA-N 1 1 309.366 1.533 20 5 DDBDMO COc1cccc(N[C@@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185385094 408802780 /nfs/dbraw/zinc/80/27/80/408802780.db2.gz WRPLNMQFHZDFIQ-LBPRGKRZSA-N 1 1 308.382 1.651 20 5 DDBDMO COc1cccc(N[C@@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185385094 408802784 /nfs/dbraw/zinc/80/27/84/408802784.db2.gz WRPLNMQFHZDFIQ-LBPRGKRZSA-N 1 1 308.382 1.651 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249764535 408763817 /nfs/dbraw/zinc/76/38/17/408763817.db2.gz ZRXVHYRLFMPWOJ-RYUDHWBXSA-N 1 1 309.370 1.028 20 5 DDBDMO CCc1n[nH]c(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000190706441 163155403 /nfs/dbraw/zinc/15/54/03/163155403.db2.gz HRWTUGFNIMOYQE-UHFFFAOYSA-N 1 1 319.369 1.351 20 5 DDBDMO CCc1nc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000190706441 163155406 /nfs/dbraw/zinc/15/54/06/163155406.db2.gz HRWTUGFNIMOYQE-UHFFFAOYSA-N 1 1 319.369 1.351 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277413192 408935702 /nfs/dbraw/zinc/93/57/02/408935702.db2.gz CIPCRYDABPEHCH-CYBMUJFWSA-N 1 1 318.377 1.924 20 5 DDBDMO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291885409 408939765 /nfs/dbraw/zinc/93/97/65/408939765.db2.gz QKEMPSZWWFGQGW-CYBMUJFWSA-N 1 1 307.350 1.693 20 5 DDBDMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293344288 409093906 /nfs/dbraw/zinc/09/39/06/409093906.db2.gz HINDBIVOZCRWTN-TXEJJXNPSA-N 1 1 306.366 1.558 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865947 409196810 /nfs/dbraw/zinc/19/68/10/409196810.db2.gz KWXPAOAENCECMZ-AWEZNQCLSA-N 1 1 307.354 1.048 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865947 409196813 /nfs/dbraw/zinc/19/68/13/409196813.db2.gz KWXPAOAENCECMZ-AWEZNQCLSA-N 1 1 307.354 1.048 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865947 409196814 /nfs/dbraw/zinc/19/68/14/409196814.db2.gz KWXPAOAENCECMZ-AWEZNQCLSA-N 1 1 307.354 1.048 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283449731 409158470 /nfs/dbraw/zinc/15/84/70/409158470.db2.gz DOUPHGLMWKYNHR-CYBMUJFWSA-N 1 1 321.425 1.863 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279166686 409162576 /nfs/dbraw/zinc/16/25/76/409162576.db2.gz GQYKMJMWTXYWGV-LLVKDONJSA-N 1 1 322.365 1.248 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@](C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280275885 409283179 /nfs/dbraw/zinc/28/31/79/409283179.db2.gz YNEVBANIAGAOLW-INIZCTEOSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000280557877 409357581 /nfs/dbraw/zinc/35/75/81/409357581.db2.gz QYZDVEKCXQKLPP-LBPRGKRZSA-N 1 1 309.366 1.239 20 5 DDBDMO CNC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000296037714 409409237 /nfs/dbraw/zinc/40/92/37/409409237.db2.gz PPSCJAAWLCOLCW-YHWZYXNKSA-N 1 1 318.377 1.992 20 5 DDBDMO NC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000317043686 164024987 /nfs/dbraw/zinc/02/49/87/164024987.db2.gz VBVFLVVBINSNDH-VXGBXAGGSA-N 1 1 304.350 1.732 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000317712454 164028932 /nfs/dbraw/zinc/02/89/32/164028932.db2.gz MAJFDPZOWRFMIF-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000317712454 164028934 /nfs/dbraw/zinc/02/89/34/164028934.db2.gz MAJFDPZOWRFMIF-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO CN(C(=O)C[N@H+](C)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000352201214 164119403 /nfs/dbraw/zinc/11/94/03/164119403.db2.gz DZENGSJKRNKFIB-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000352201214 164119404 /nfs/dbraw/zinc/11/94/04/164119404.db2.gz DZENGSJKRNKFIB-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000408024752 164201938 /nfs/dbraw/zinc/20/19/38/164201938.db2.gz GTRPCSFAZFIBLZ-LLVKDONJSA-N 1 1 314.345 1.996 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000331547553 409623359 /nfs/dbraw/zinc/62/33/59/409623359.db2.gz RJEXWSJLZBASTJ-NSHDSACASA-N 1 1 305.334 1.570 20 5 DDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000356756812 409577116 /nfs/dbraw/zinc/57/71/16/409577116.db2.gz BSHSTNHKQXQRGY-JTQLQIEISA-N 1 1 323.349 1.782 20 5 DDBDMO C[N@H+](Cc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386548 409615905 /nfs/dbraw/zinc/61/59/05/409615905.db2.gz ZRMLRFUGCALLNA-AWEZNQCLSA-N 1 1 308.313 1.423 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000345609011 409706322 /nfs/dbraw/zinc/70/63/22/409706322.db2.gz WHTKTHIOWFCWPI-UHFFFAOYSA-N 1 1 323.397 1.875 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346057071 409743840 /nfs/dbraw/zinc/74/38/40/409743840.db2.gz UJAWROYQPHOHLL-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091611 410108001 /nfs/dbraw/zinc/10/80/01/410108001.db2.gz RZYJRFAKINTBDQ-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091611 410108006 /nfs/dbraw/zinc/10/80/06/410108006.db2.gz RZYJRFAKINTBDQ-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000352130554 410502208 /nfs/dbraw/zinc/50/22/08/410502208.db2.gz ZTGSRFNMSOBALJ-UHFFFAOYSA-N 1 1 304.310 1.300 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000343511884 410503119 /nfs/dbraw/zinc/50/31/19/410503119.db2.gz JGHXPOMPNDTBTQ-GWCFXTLKSA-N 1 1 307.350 1.816 20 5 DDBDMO Cn1c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000347384813 410511873 /nfs/dbraw/zinc/51/18/73/410511873.db2.gz ZCFKQVTVIDKXDF-CYBMUJFWSA-N 1 1 320.393 1.737 20 5 DDBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)O ZINC000352195634 410537715 /nfs/dbraw/zinc/53/77/15/410537715.db2.gz SCARUSNGJHLICS-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)O ZINC000352195634 410537722 /nfs/dbraw/zinc/53/77/22/410537722.db2.gz SCARUSNGJHLICS-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO COC1CC([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000352222433 410558112 /nfs/dbraw/zinc/55/81/12/410558112.db2.gz QQZUTWDZULVTBZ-UHFFFAOYSA-N 1 1 307.350 1.951 20 5 DDBDMO COC1CC([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000352222433 410558119 /nfs/dbraw/zinc/55/81/19/410558119.db2.gz QQZUTWDZULVTBZ-UHFFFAOYSA-N 1 1 307.350 1.951 20 5 DDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000352227378 410562392 /nfs/dbraw/zinc/56/23/92/410562392.db2.gz NFVBJEKNKVRNDR-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000352227378 410562397 /nfs/dbraw/zinc/56/23/97/410562397.db2.gz NFVBJEKNKVRNDR-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)NC1CC1 ZINC000352570928 410668052 /nfs/dbraw/zinc/66/80/52/410668052.db2.gz NVTBRVKIMVMLHI-UHFFFAOYSA-N 1 1 320.349 1.057 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)NC1CC1 ZINC000352570928 410668058 /nfs/dbraw/zinc/66/80/58/410668058.db2.gz NVTBRVKIMVMLHI-UHFFFAOYSA-N 1 1 320.349 1.057 20 5 DDBDMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343807244 410714109 /nfs/dbraw/zinc/71/41/09/410714109.db2.gz TURNZJDZRXJHQL-VXGBXAGGSA-N 1 1 323.397 1.948 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330528756 410751697 /nfs/dbraw/zinc/75/16/97/410751697.db2.gz RSHBESMXNYXOIC-JTQLQIEISA-N 1 1 313.379 1.409 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CCOC[C@H]4C3)c21 ZINC000347866473 410764916 /nfs/dbraw/zinc/76/49/16/410764916.db2.gz OXZPFSQGDLESCB-LLVKDONJSA-N 1 1 315.333 1.059 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4CCOC[C@H]4C3)c21 ZINC000347866473 410764918 /nfs/dbraw/zinc/76/49/18/410764918.db2.gz OXZPFSQGDLESCB-LLVKDONJSA-N 1 1 315.333 1.059 20 5 DDBDMO C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343962357 410850039 /nfs/dbraw/zinc/85/00/39/410850039.db2.gz BXKSCESVHMZYQB-GWCFXTLKSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343962357 410850044 /nfs/dbraw/zinc/85/00/44/410850044.db2.gz BXKSCESVHMZYQB-GWCFXTLKSA-N 1 1 313.379 1.356 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000341165068 410908176 /nfs/dbraw/zinc/90/81/76/410908176.db2.gz JKIFTSWBIGPKFM-LBPRGKRZSA-N 1 1 321.381 1.717 20 5 DDBDMO COc1ccc(C[N@H+](C)C2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000353354549 410937947 /nfs/dbraw/zinc/93/79/47/410937947.db2.gz PCJGNBINGNYOST-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO COc1ccc(C[N@@H+](C)C2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000353354549 410937954 /nfs/dbraw/zinc/93/79/54/410937954.db2.gz PCJGNBINGNYOST-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331208983 411018292 /nfs/dbraw/zinc/01/82/92/411018292.db2.gz WHJBVOMOGOBAQI-CHWSQXEVSA-N 1 1 321.377 1.833 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356654423 411117871 /nfs/dbraw/zinc/11/78/71/411117871.db2.gz LNOGJJCWYFLLEN-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356654423 411117872 /nfs/dbraw/zinc/11/78/72/411117872.db2.gz LNOGJJCWYFLLEN-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO CNc1nccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000516313076 416720979 /nfs/dbraw/zinc/72/09/79/416720979.db2.gz JLFPRAAGGFUALY-JTQLQIEISA-N 1 1 319.365 1.412 20 5 DDBDMO Cc1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295633397 225068204 /nfs/dbraw/zinc/06/82/04/225068204.db2.gz ZMECBTLPZHFAFP-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000350889818 306758865 /nfs/dbraw/zinc/75/88/65/306758865.db2.gz NWAQTLGKKJPFBK-MRVPVSSYSA-N 1 1 315.293 1.305 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000361075664 418578614 /nfs/dbraw/zinc/57/86/14/418578614.db2.gz CQBZEACTWVTGIC-GHMZBOCLSA-N 1 1 306.366 1.849 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCCn2cc[nH+]c2C)n1 ZINC000191825431 222110585 /nfs/dbraw/zinc/11/05/85/222110585.db2.gz BYVBAFHZJPYWFB-UHFFFAOYSA-N 1 1 320.353 1.526 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037020 418593460 /nfs/dbraw/zinc/59/34/60/418593460.db2.gz HXURXPBZETUEKB-SMDDNHRTSA-N 1 1 318.377 1.652 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403198 418644588 /nfs/dbraw/zinc/64/45/88/418644588.db2.gz NFYCZFSURSATDG-GXTWGEPZSA-N 1 1 310.350 1.180 20 5 DDBDMO CCOc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361584685 418686185 /nfs/dbraw/zinc/68/61/85/418686185.db2.gz FXXXBGZECLMMND-TZMCWYRMSA-N 1 1 324.377 1.965 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]Cc3ccccc32)n1 ZINC000422779918 227172953 /nfs/dbraw/zinc/17/29/53/227172953.db2.gz CHZYDJIYUJMRDU-UHFFFAOYSA-N 1 1 315.333 1.561 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364933277 418825456 /nfs/dbraw/zinc/82/54/56/418825456.db2.gz MCAKHAHZJYAURR-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](C)CC2)c1F ZINC000411130485 418872316 /nfs/dbraw/zinc/87/23/16/418872316.db2.gz AEAJKGHVDDVLCP-UHFFFAOYSA-N 1 1 311.313 1.059 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372733276 418897547 /nfs/dbraw/zinc/89/75/47/418897547.db2.gz WIKCEHODRVPCBF-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000298147173 228381953 /nfs/dbraw/zinc/38/19/53/228381953.db2.gz GIAKKOMBAGBLHC-UHFFFAOYSA-N 1 1 320.393 1.271 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000417953208 419415293 /nfs/dbraw/zinc/41/52/93/419415293.db2.gz ZDFZSAUQDOARHJ-HNNXBMFYSA-N 1 1 324.356 1.480 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936978 419368759 /nfs/dbraw/zinc/36/87/59/419368759.db2.gz JFWLARRQKOJEGQ-OLZOCXBDSA-N 1 1 321.377 1.508 20 5 DDBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+]1C ZINC000421011132 419446201 /nfs/dbraw/zinc/44/62/01/419446201.db2.gz RZYMNIVETGQFCH-OAHLLOKOSA-N 1 1 320.393 1.584 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411909230 419470298 /nfs/dbraw/zinc/47/02/98/419470298.db2.gz JOLQLCPTIVIZOM-BPNCWPANSA-N 1 1 323.349 1.003 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411909230 419470306 /nfs/dbraw/zinc/47/03/06/419470306.db2.gz JOLQLCPTIVIZOM-BPNCWPANSA-N 1 1 323.349 1.003 20 5 DDBDMO COC(=O)[C@H]1CSCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412092348 419649915 /nfs/dbraw/zinc/64/99/15/419649915.db2.gz ZISQZDVNKYPDQU-CYBMUJFWSA-N 1 1 324.402 1.975 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@](C)(CN)C2CC2)c([N+](=O)[O-])c1 ZINC000430562467 420137906 /nfs/dbraw/zinc/13/79/06/420137906.db2.gz RMYGMIGXXZPZGK-HNNXBMFYSA-N 1 1 309.366 1.699 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000430231955 420092328 /nfs/dbraw/zinc/09/23/28/420092328.db2.gz DNRHJSRXBUYVDY-GWCFXTLKSA-N 1 1 308.334 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)nc1 ZINC000301526263 229721597 /nfs/dbraw/zinc/72/15/97/229721597.db2.gz JFGYDYIJSBVXJC-KBPBESRZSA-N 1 1 306.366 1.415 20 5 DDBDMO CCn1cncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417789206 420479117 /nfs/dbraw/zinc/47/91/17/420479117.db2.gz IZFBAWCODMNUHA-LBPRGKRZSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1cncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417789206 420479121 /nfs/dbraw/zinc/47/91/21/420479121.db2.gz IZFBAWCODMNUHA-LBPRGKRZSA-N 1 1 316.365 1.893 20 5 DDBDMO CN(C)C(=O)C1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC000451404057 420599841 /nfs/dbraw/zinc/59/98/41/420599841.db2.gz LWQXVRPZHHSGFX-UHFFFAOYSA-N 1 1 309.370 1.209 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000450953356 420568928 /nfs/dbraw/zinc/56/89/28/420568928.db2.gz YFAGXBBNJKWTSS-UHFFFAOYSA-N 1 1 307.354 1.375 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452789160 420661875 /nfs/dbraw/zinc/66/18/75/420661875.db2.gz AFWAGTRNKJGULS-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC[NH3+])C1 ZINC000443063895 420742381 /nfs/dbraw/zinc/74/23/81/420742381.db2.gz XISDSYYZYVVQII-CHWSQXEVSA-N 1 1 320.393 1.983 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000448259367 420844881 /nfs/dbraw/zinc/84/48/81/420844881.db2.gz DIGWFZOIKLEPSG-UHFFFAOYSA-N 1 1 317.349 1.751 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487759925 421047737 /nfs/dbraw/zinc/04/77/37/421047737.db2.gz IYHYDCWJWRKVTO-OAHLLOKOSA-N 1 1 302.334 1.043 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000456356786 421147665 /nfs/dbraw/zinc/14/76/65/421147665.db2.gz RYUJHUOEQZMVDA-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489375311 421150988 /nfs/dbraw/zinc/15/09/88/421150988.db2.gz OUUNVGKJNPIQFX-CYBMUJFWSA-N 1 1 323.397 1.288 20 5 DDBDMO COc1cc(CNCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000525800680 421302957 /nfs/dbraw/zinc/30/29/57/421302957.db2.gz HDHGBZVIEKDJTN-NSHDSACASA-N 1 1 309.366 1.740 20 5 DDBDMO COc1cc(C[NH2+]CCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000525800680 421302958 /nfs/dbraw/zinc/30/29/58/421302958.db2.gz HDHGBZVIEKDJTN-NSHDSACASA-N 1 1 309.366 1.740 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965934 421432161 /nfs/dbraw/zinc/43/21/61/421432161.db2.gz QFJRQASTGQOUDI-QWHCGFSZSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965934 421432163 /nfs/dbraw/zinc/43/21/63/421432163.db2.gz QFJRQASTGQOUDI-QWHCGFSZSA-N 1 1 321.377 1.223 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC(F)(F)C[NH3+] ZINC000514611126 421440291 /nfs/dbraw/zinc/44/02/91/421440291.db2.gz ABORXPDOYGVLQB-UHFFFAOYSA-N 1 1 303.265 1.204 20 5 DDBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000563547530 421520374 /nfs/dbraw/zinc/52/03/74/421520374.db2.gz VNYFWYKXLQCKLU-QWRGUYRKSA-N 1 1 321.381 1.586 20 5 DDBDMO CC[N@@H+]1CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000554836036 421663005 /nfs/dbraw/zinc/66/30/05/421663005.db2.gz WXNLNRYPVCBZIT-UHFFFAOYSA-N 1 1 322.350 1.405 20 5 DDBDMO CC[N@H+]1CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000554836036 421663009 /nfs/dbraw/zinc/66/30/09/421663009.db2.gz WXNLNRYPVCBZIT-UHFFFAOYSA-N 1 1 322.350 1.405 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000533310309 421671167 /nfs/dbraw/zinc/67/11/67/421671167.db2.gz HAZHFDCHKFGDKB-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000520153246 421738358 /nfs/dbraw/zinc/73/83/58/421738358.db2.gz WQJAGTLPJAODEM-UHFFFAOYSA-N 1 1 321.381 1.399 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000522167698 421818736 /nfs/dbraw/zinc/81/87/36/421818736.db2.gz YXZPBYLRAOAIBT-JTQLQIEISA-N 1 1 308.338 1.156 20 5 DDBDMO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000521114778 421774957 /nfs/dbraw/zinc/77/49/57/421774957.db2.gz JMPCYWCIZJSTEI-GFCCVEGCSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000581984177 422082419 /nfs/dbraw/zinc/08/24/19/422082419.db2.gz QWQOJHMGCBRLSC-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000581984177 422082427 /nfs/dbraw/zinc/08/24/27/422082427.db2.gz QWQOJHMGCBRLSC-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO CC[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983365 422439981 /nfs/dbraw/zinc/43/99/81/422439981.db2.gz IWZIWTXEPXHMNH-BBRMVZONSA-N 1 1 324.377 1.571 20 5 DDBDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186017223 263395209 /nfs/dbraw/zinc/39/52/09/263395209.db2.gz FWLHAEHFIFPBQC-LBPRGKRZSA-N 1 1 313.741 1.195 20 5 DDBDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186017223 263395212 /nfs/dbraw/zinc/39/52/12/263395212.db2.gz FWLHAEHFIFPBQC-LBPRGKRZSA-N 1 1 313.741 1.195 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000344617088 272071198 /nfs/dbraw/zinc/07/11/98/272071198.db2.gz QDNTVTJHJKHVBL-LLVKDONJSA-N 1 1 309.370 1.028 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344910193 272139164 /nfs/dbraw/zinc/13/91/64/272139164.db2.gz KDPIFTVKMYOAHF-NSHDSACASA-N 1 1 322.365 1.018 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000346050862 272399433 /nfs/dbraw/zinc/39/94/33/272399433.db2.gz RIDGHJDJRIVRCO-RYUDHWBXSA-N 1 1 323.397 1.431 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346053865 272399917 /nfs/dbraw/zinc/39/99/17/272399917.db2.gz UJAWROYQPHOHLL-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO COC(=O)c1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000450775702 274000503 /nfs/dbraw/zinc/00/05/03/274000503.db2.gz GLPAZDGJUNVACV-SMDDNHRTSA-N 1 1 319.361 1.830 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000285989935 274004202 /nfs/dbraw/zinc/00/42/02/274004202.db2.gz CPFDUMKQNWKDJJ-JTQLQIEISA-N 1 1 306.322 1.061 20 5 DDBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419010343 274369502 /nfs/dbraw/zinc/36/95/02/274369502.db2.gz XSEZIOCNOCUCNK-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419010343 274369504 /nfs/dbraw/zinc/36/95/04/274369504.db2.gz XSEZIOCNOCUCNK-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H]1C[NH+](C[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000160496504 274586145 /nfs/dbraw/zinc/58/61/45/274586145.db2.gz GIFDVNLPQKWKKR-AVGNSLFASA-N 1 1 321.381 1.463 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177022556 276181508 /nfs/dbraw/zinc/18/15/08/276181508.db2.gz HKNNZNIFEJLEQE-NSHDSACASA-N 1 1 309.370 1.193 20 5 DDBDMO CC[NH+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000285512451 276203726 /nfs/dbraw/zinc/20/37/26/276203726.db2.gz GCZSGHTZVTTXGV-UHFFFAOYSA-N 1 1 308.338 1.227 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000194725240 277224896 /nfs/dbraw/zinc/22/48/96/277224896.db2.gz CQASJPDDPSNCAA-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000194725240 277224897 /nfs/dbraw/zinc/22/48/97/277224897.db2.gz CQASJPDDPSNCAA-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000420591463 279354998 /nfs/dbraw/zinc/35/49/98/279354998.db2.gz AERHAAXFAVQEIU-LLVKDONJSA-N 1 1 322.365 1.074 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000408026856 290087270 /nfs/dbraw/zinc/08/72/70/290087270.db2.gz JJAOSVJPLOKGTO-LSDHHAIUSA-N 1 1 318.377 1.472 20 5 DDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000408361176 297027871 /nfs/dbraw/zinc/02/78/71/297027871.db2.gz CWTZINGHSUPRHL-JHJVBQTASA-N 1 1 323.397 1.406 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000362999695 300196952 /nfs/dbraw/zinc/19/69/52/300196952.db2.gz IWLWOUDDLBWDML-UHFFFAOYSA-N 1 1 323.397 1.441 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000364300811 300372393 /nfs/dbraw/zinc/37/23/93/300372393.db2.gz GURFOZRAFNSNMS-ZJUUUORDSA-N 1 1 307.379 1.834 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367399650 300842652 /nfs/dbraw/zinc/84/26/52/300842652.db2.gz AOGMOZPJWIFKJD-OAHLLOKOSA-N 1 1 321.377 1.510 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412265 301022173 /nfs/dbraw/zinc/02/21/73/301022173.db2.gz RMJWPXATFKIWBM-SMDDNHRTSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412265 301022175 /nfs/dbraw/zinc/02/21/75/301022175.db2.gz RMJWPXATFKIWBM-SMDDNHRTSA-N 1 1 319.361 1.687 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369144148 301136443 /nfs/dbraw/zinc/13/64/43/301136443.db2.gz OFQGBABHUQSSKC-WDEREUQCSA-N 1 1 321.381 1.627 20 5 DDBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370525361 301357100 /nfs/dbraw/zinc/35/71/00/301357100.db2.gz FJDNTQXYOGQUIU-OAHLLOKOSA-N 1 1 324.381 1.740 20 5 DDBDMO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355427559 306799849 /nfs/dbraw/zinc/79/98/49/306799849.db2.gz XTXLDSVLTPFUEO-UHFFFAOYSA-N 1 1 302.327 1.401 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079653 302140247 /nfs/dbraw/zinc/14/02/47/302140247.db2.gz CVGROMQSKOONJR-FAAHXZRKSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079653 302140250 /nfs/dbraw/zinc/14/02/50/302140250.db2.gz CVGROMQSKOONJR-FAAHXZRKSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079653 302140253 /nfs/dbraw/zinc/14/02/53/302140253.db2.gz CVGROMQSKOONJR-FAAHXZRKSA-N 1 1 303.362 1.431 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c2nonc21 ZINC000377481551 302183641 /nfs/dbraw/zinc/18/36/41/302183641.db2.gz MDOSRLPCIJVLIT-JTQLQIEISA-N 1 1 303.322 1.806 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378546579 302333542 /nfs/dbraw/zinc/33/35/42/302333542.db2.gz WQCBQZTZKHDLHZ-GHMZBOCLSA-N 1 1 304.350 1.534 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000398673270 302360083 /nfs/dbraw/zinc/36/00/83/302360083.db2.gz FXZAOQHBAIJIHM-YUTCNCBUSA-N 1 1 319.361 1.287 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516612364 302793747 /nfs/dbraw/zinc/79/37/47/302793747.db2.gz HLQWMFUAIQHDOL-UHFFFAOYSA-N 1 1 315.333 1.209 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362091391 307014144 /nfs/dbraw/zinc/01/41/44/307014144.db2.gz UQBLICXTDQIMAN-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000364891094 307052596 /nfs/dbraw/zinc/05/25/96/307052596.db2.gz BPWVGGOURQYAAD-UHFFFAOYSA-N 1 1 320.393 1.981 20 5 DDBDMO Cc1nccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000373642623 307193740 /nfs/dbraw/zinc/19/37/40/307193740.db2.gz VFJCHBJHZRLSRF-ZDUSSCGKSA-N 1 1 302.338 1.727 20 5 DDBDMO Cc1nccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000373642623 307193741 /nfs/dbraw/zinc/19/37/41/307193741.db2.gz VFJCHBJHZRLSRF-ZDUSSCGKSA-N 1 1 302.338 1.727 20 5 DDBDMO CC1(C)C[NH+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000565168849 308022406 /nfs/dbraw/zinc/02/24/06/308022406.db2.gz BSXRROLILSMORN-UHFFFAOYSA-N 1 1 306.366 1.465 20 5 DDBDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000567789881 308095807 /nfs/dbraw/zinc/09/58/07/308095807.db2.gz HEXZUEIPAYKJFJ-CYBMUJFWSA-N 1 1 307.350 1.693 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000195436475 325712884 /nfs/dbraw/zinc/71/28/84/325712884.db2.gz ZCZSQVNTMZYZEQ-UHFFFAOYSA-N 1 1 319.361 1.771 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000444180100 534061262 /nfs/dbraw/zinc/06/12/62/534061262.db2.gz FNZLAGDTGQHSLG-NSHDSACASA-N 1 1 323.349 1.596 20 5 DDBDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331973057 527880902 /nfs/dbraw/zinc/88/09/02/527880902.db2.gz LDGVTNTYGBTVCG-CYBMUJFWSA-N 1 1 308.334 1.807 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331973057 527880903 /nfs/dbraw/zinc/88/09/03/527880903.db2.gz LDGVTNTYGBTVCG-CYBMUJFWSA-N 1 1 308.334 1.807 20 5 DDBDMO CCn1cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776275240 698090598 /nfs/dbraw/zinc/09/05/98/698090598.db2.gz GAHJCOXVCAIFJQ-OAHLLOKOSA-N 1 1 304.350 1.977 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782004997 698672527 /nfs/dbraw/zinc/67/25/27/698672527.db2.gz UHTDEDGOOYQETH-UHFFFAOYSA-N 1 1 321.333 1.678 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000782633750 698755831 /nfs/dbraw/zinc/75/58/31/698755831.db2.gz QCPMKODWIWVCLM-XHDPSFHLSA-N 1 1 305.334 1.238 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000783918778 698892490 /nfs/dbraw/zinc/89/24/90/698892490.db2.gz LVVCVCXTKRQZSF-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000786949630 699181968 /nfs/dbraw/zinc/18/19/68/699181968.db2.gz KLYVINAQOFKZSO-LBPRGKRZSA-N 1 1 304.350 1.486 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000704787713 699238232 /nfs/dbraw/zinc/23/82/32/699238232.db2.gz KGWMTHYDMGQLJM-QWRGUYRKSA-N 1 1 300.742 1.281 20 5 DDBDMO CC(C)C[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726589350 699369685 /nfs/dbraw/zinc/36/96/85/699369685.db2.gz WTHSAZOFNXPZSH-UHFFFAOYSA-N 1 1 320.349 1.909 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000729919533 699491652 /nfs/dbraw/zinc/49/16/52/699491652.db2.gz QEZYITLJKZKBFX-LLVKDONJSA-N 1 1 306.366 1.485 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000730806822 699516332 /nfs/dbraw/zinc/51/63/32/699516332.db2.gz MNKGRPPDMQMJOS-NSHDSACASA-N 1 1 305.338 1.375 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000791052055 699608887 /nfs/dbraw/zinc/60/88/87/699608887.db2.gz KKBYPSYKQSPQGV-LBPRGKRZSA-N 1 1 301.387 1.842 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736219981 699720745 /nfs/dbraw/zinc/72/07/45/699720745.db2.gz GSWFLYURUOLMKN-OAHLLOKOSA-N 1 1 319.361 1.124 20 5 DDBDMO Cc1nn(C[N@H+]2CCOC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000753984880 700473849 /nfs/dbraw/zinc/47/38/49/700473849.db2.gz FTYSJQTXAZZMFO-SNVBAGLBSA-N 1 1 305.338 1.574 20 5 DDBDMO Cc1nn(C[N@@H+]2CCOC[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000753984880 700473851 /nfs/dbraw/zinc/47/38/51/700473851.db2.gz FTYSJQTXAZZMFO-SNVBAGLBSA-N 1 1 305.338 1.574 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCOC[C@H]4C3)sc2c1 ZINC000754080373 700481373 /nfs/dbraw/zinc/48/13/73/700481373.db2.gz DNHUYZYOTBXRAY-LLVKDONJSA-N 1 1 320.374 1.725 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCOC[C@H]4C3)sc2c1 ZINC000754080373 700481374 /nfs/dbraw/zinc/48/13/74/700481374.db2.gz DNHUYZYOTBXRAY-LLVKDONJSA-N 1 1 320.374 1.725 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248483 700557890 /nfs/dbraw/zinc/55/78/90/700557890.db2.gz NUTDEGVQLGLRCS-UKRRQHHQSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248483 700557891 /nfs/dbraw/zinc/55/78/91/700557891.db2.gz NUTDEGVQLGLRCS-UKRRQHHQSA-N 1 1 307.350 1.358 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000839670013 701774981 /nfs/dbraw/zinc/77/49/81/701774981.db2.gz REVCMAGDSHXZLG-DZGCQCFKSA-N 1 1 321.377 1.617 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839682856 701782395 /nfs/dbraw/zinc/78/23/95/701782395.db2.gz ANUWQWHOPWDAFT-KBUPBQIOSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839682856 701782398 /nfs/dbraw/zinc/78/23/98/701782398.db2.gz ANUWQWHOPWDAFT-KBUPBQIOSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839682856 701782402 /nfs/dbraw/zinc/78/24/02/701782402.db2.gz ANUWQWHOPWDAFT-KBUPBQIOSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867952749 701851088 /nfs/dbraw/zinc/85/10/88/701851088.db2.gz FAIQSYZSPNXVIQ-INIZCTEOSA-N 1 1 321.377 1.796 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867960560 701855348 /nfs/dbraw/zinc/85/53/48/701855348.db2.gz MUJYPLABZPQWTE-OAHLLOKOSA-N 1 1 307.350 1.406 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868519332 702173693 /nfs/dbraw/zinc/17/36/93/702173693.db2.gz AOSYIMLSSGVSQW-DGCLKSJQSA-N 1 1 307.325 1.439 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949334 702233281 /nfs/dbraw/zinc/23/32/81/702233281.db2.gz TUIPTCMYZSUVIR-GWCFXTLKSA-N 1 1 304.350 1.262 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000813635679 702388106 /nfs/dbraw/zinc/38/81/06/702388106.db2.gz BOYYUGPEEXVCTC-MRXNPFEDSA-N 1 1 318.377 1.486 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533663 706711165 /nfs/dbraw/zinc/71/11/65/706711165.db2.gz IOJLESWFFJSPPJ-ZMLRMANQSA-N 1 1 303.318 1.202 20 5 DDBDMO COC(=O)N1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850446279 703731724 /nfs/dbraw/zinc/73/17/24/703731724.db2.gz RGBMBQRYFASPMT-SECBINFHSA-N 1 1 309.322 1.705 20 5 DDBDMO CC(C)CC(=O)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000879759938 706782489 /nfs/dbraw/zinc/78/24/89/706782489.db2.gz JNPZCAQPYXGUCQ-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO CC(C)CC(=O)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000879759938 706782493 /nfs/dbraw/zinc/78/24/93/706782493.db2.gz JNPZCAQPYXGUCQ-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000818971350 704038970 /nfs/dbraw/zinc/03/89/70/704038970.db2.gz UPIJTTCFYZHHNQ-GXFFZTMASA-N 1 1 317.349 1.517 20 5 DDBDMO CC[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870861545 704147899 /nfs/dbraw/zinc/14/78/99/704147899.db2.gz BPPDIXCZNGWPER-DZGCQCFKSA-N 1 1 307.350 1.406 20 5 DDBDMO CCOC1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870948056 704178828 /nfs/dbraw/zinc/17/88/28/704178828.db2.gz CGJGGBHMXBWDIG-INIZCTEOSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000819953322 704192162 /nfs/dbraw/zinc/19/21/62/704192162.db2.gz OAXJPXLRJWAXJF-NWDGAFQWSA-N 1 1 301.350 1.773 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188239 706918854 /nfs/dbraw/zinc/91/88/54/706918854.db2.gz WEFPIJJBOZJQGQ-QWRGUYRKSA-N 1 1 309.341 1.827 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822362 705181792 /nfs/dbraw/zinc/18/17/92/705181792.db2.gz ARBBDDZLZGIVMT-ZIAGYGMSSA-N 1 1 321.352 1.972 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827328218 705976376 /nfs/dbraw/zinc/97/63/76/705976376.db2.gz DFQWIIHZFAYDNH-DGCLKSJQSA-N 1 1 321.381 1.079 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000877976683 706256085 /nfs/dbraw/zinc/25/60/85/706256085.db2.gz YAJUFZGHYKAIBB-CYBMUJFWSA-N 1 1 318.381 1.713 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015877 706438043 /nfs/dbraw/zinc/43/80/43/706438043.db2.gz GFDYBIMLQOTUNX-LKFCYVNXSA-N 1 1 307.325 1.946 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292901 706491372 /nfs/dbraw/zinc/49/13/72/706491372.db2.gz UENYDHHNEJPHFK-JYJNAYRXSA-N 1 1 321.377 1.033 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865999066 706589958 /nfs/dbraw/zinc/58/99/58/706589958.db2.gz XMGPYIWADCELKA-NSHDSACASA-N 1 1 311.386 1.377 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880189959 706905982 /nfs/dbraw/zinc/90/59/82/706905982.db2.gz LPCUIXNUDORRFR-GJZGRUSLSA-N 1 1 313.361 1.754 20 5 DDBDMO NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000880396092 706963517 /nfs/dbraw/zinc/96/35/17/706963517.db2.gz XKRPGOFWSHULDB-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000880396092 706963518 /nfs/dbraw/zinc/96/35/18/706963518.db2.gz XKRPGOFWSHULDB-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880425995 706970259 /nfs/dbraw/zinc/97/02/59/706970259.db2.gz RFROUJYYEIGOJR-DZGCQCFKSA-N 1 1 310.350 1.839 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880529356 707005978 /nfs/dbraw/zinc/00/59/78/707005978.db2.gz ALMXZUWXDKTOLB-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880529356 707005981 /nfs/dbraw/zinc/00/59/81/707005981.db2.gz ALMXZUWXDKTOLB-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)c([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000834310662 707027807 /nfs/dbraw/zinc/02/78/07/707027807.db2.gz SKMKRWRHCBFOLS-OQPBUACISA-N 1 1 311.288 1.649 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)Cn2cc(C[NH+]3CCCC3)nn2)c1 ZINC000881410575 707244006 /nfs/dbraw/zinc/24/40/06/707244006.db2.gz GCLWGUPWKAEXHO-OAHLLOKOSA-N 1 1 317.349 1.516 20 5 DDBDMO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000927127092 712945093 /nfs/dbraw/zinc/94/50/93/712945093.db2.gz QWQSNJOQHJYYDB-ZANVPECISA-N 1 1 308.313 1.852 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781504 707597919 /nfs/dbraw/zinc/59/79/19/707597919.db2.gz UQKWXPOCQJOZJA-GHMZBOCLSA-N 1 1 302.338 1.310 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C[C@]2(C)C1 ZINC000896912609 708181115 /nfs/dbraw/zinc/18/11/15/708181115.db2.gz ALXCRBIYGPCUAC-ABAIWWIYSA-N 1 1 306.366 1.057 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897415827 708320262 /nfs/dbraw/zinc/32/02/62/708320262.db2.gz JVFDKFURMVEISP-UHFFFAOYSA-N 1 1 309.366 1.256 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886212844 708716377 /nfs/dbraw/zinc/71/63/77/708716377.db2.gz GWRMCJKZERTTKF-ZDUSSCGKSA-N 1 1 320.393 1.675 20 5 DDBDMO Cc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000899910882 709235006 /nfs/dbraw/zinc/23/50/06/709235006.db2.gz KUPBOADZPBIPDN-CYBMUJFWSA-N 1 1 305.334 1.562 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889778945 709631621 /nfs/dbraw/zinc/63/16/21/709631621.db2.gz CEBSESVAAWCXKD-LSDHHAIUSA-N 1 1 319.361 1.266 20 5 DDBDMO CC(C)(CCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)[N+](=O)[O-] ZINC000928084740 713122257 /nfs/dbraw/zinc/12/22/57/713122257.db2.gz XPRKLSFGLPZEPD-NWDGAFQWSA-N 1 1 315.439 1.518 20 5 DDBDMO COc1c(O)ccc(C[N@H+](C)CCn2cccn2)c1[N+](=O)[O-] ZINC000892033179 710357080 /nfs/dbraw/zinc/35/70/80/710357080.db2.gz YZNVPTWXXCZXSH-UHFFFAOYSA-N 1 1 306.322 1.638 20 5 DDBDMO COc1c(O)ccc(C[N@@H+](C)CCn2cccn2)c1[N+](=O)[O-] ZINC000892033179 710357082 /nfs/dbraw/zinc/35/70/82/710357082.db2.gz YZNVPTWXXCZXSH-UHFFFAOYSA-N 1 1 306.322 1.638 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000928431806 713192949 /nfs/dbraw/zinc/19/29/49/713192949.db2.gz HAPXCSUVRZWZBK-KWQFWETISA-N 1 1 311.313 1.565 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1 ZINC000903214998 711068913 /nfs/dbraw/zinc/06/89/13/711068913.db2.gz DBESIQNIKFCWBM-LBPRGKRZSA-N 1 1 311.363 1.064 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895245597 711463421 /nfs/dbraw/zinc/46/34/21/711463421.db2.gz GOMIIKIAYJDLQL-ZYHUDNBSSA-N 1 1 310.402 1.166 20 5 DDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CC[N@H+]1C ZINC000895768860 711600946 /nfs/dbraw/zinc/60/09/46/711600946.db2.gz JMSSXCJBCQFUFA-SNVBAGLBSA-N 1 1 302.334 1.690 20 5 DDBDMO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918395281 713541527 /nfs/dbraw/zinc/54/15/27/713541527.db2.gz MWSPVBUXFGMYOE-JTQLQIEISA-N 1 1 322.321 1.635 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C1(O)CCCC1)C2 ZINC000930100335 713756183 /nfs/dbraw/zinc/75/61/83/713756183.db2.gz SKNMWCJOYFOZAU-OAHLLOKOSA-N 1 1 306.362 1.619 20 5 DDBDMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930471139 713843496 /nfs/dbraw/zinc/84/34/96/713843496.db2.gz VBELWUKJZFWQQP-KGLIPLIRSA-N 1 1 313.398 1.986 20 5 DDBDMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000930471139 713843498 /nfs/dbraw/zinc/84/34/98/713843498.db2.gz VBELWUKJZFWQQP-KGLIPLIRSA-N 1 1 313.398 1.986 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CC[N+](=O)[O-])C2 ZINC000930490221 713848123 /nfs/dbraw/zinc/84/81/23/713848123.db2.gz ZQWFHLUPEZOPAQ-OAHLLOKOSA-N 1 1 313.398 1.986 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC[N+](=O)[O-])C2 ZINC000930490221 713848126 /nfs/dbraw/zinc/84/81/26/713848126.db2.gz ZQWFHLUPEZOPAQ-OAHLLOKOSA-N 1 1 313.398 1.986 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651588 713887426 /nfs/dbraw/zinc/88/74/26/713887426.db2.gz YVXJTMNOYPWJIS-GJZGRUSLSA-N 1 1 303.362 1.909 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccns2)CC1 ZINC000930680604 713894199 /nfs/dbraw/zinc/89/41/99/713894199.db2.gz KEWGJOAXDUSZCT-UHFFFAOYSA-N 1 1 319.390 1.811 20 5 DDBDMO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043577 713989469 /nfs/dbraw/zinc/98/94/69/713989469.db2.gz QQULNZKQEVDCKO-TZMCWYRMSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043577 713989470 /nfs/dbraw/zinc/98/94/70/713989470.db2.gz QQULNZKQEVDCKO-TZMCWYRMSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000923271098 714291842 /nfs/dbraw/zinc/29/18/42/714291842.db2.gz LAQZZQZBPDCEEW-CMPLNLGQSA-N 1 1 304.350 1.486 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000923330842 714316989 /nfs/dbraw/zinc/31/69/89/714316989.db2.gz CJSDOWYUUOJWJF-MIGQKNRLSA-N 1 1 305.378 1.687 20 5 DDBDMO [NH3+]CC[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481781 714370087 /nfs/dbraw/zinc/37/00/87/714370087.db2.gz LOPMASGGSAWMTA-SWLSCSKDSA-N 1 1 318.377 1.371 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252499 714547572 /nfs/dbraw/zinc/54/75/72/714547572.db2.gz WZCZONOXYVYTPU-OAHLLOKOSA-N 1 1 322.409 1.419 20 5 DDBDMO CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252499 714547576 /nfs/dbraw/zinc/54/75/76/714547576.db2.gz WZCZONOXYVYTPU-OAHLLOKOSA-N 1 1 322.409 1.419 20 5 DDBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252499 714547577 /nfs/dbraw/zinc/54/75/77/714547577.db2.gz WZCZONOXYVYTPU-OAHLLOKOSA-N 1 1 322.409 1.419 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cs1 ZINC000934258097 714777762 /nfs/dbraw/zinc/77/77/62/714777762.db2.gz PWLFCIIGQNUBOP-OLZOCXBDSA-N 1 1 311.407 1.687 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934333746 714796932 /nfs/dbraw/zinc/79/69/32/714796932.db2.gz QVYVEUAYTZZXPY-LLVKDONJSA-N 1 1 307.379 1.812 20 5 DDBDMO Cc1ncc([N+](=O)[O-])c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164774244 721286070 /nfs/dbraw/zinc/28/60/70/721286070.db2.gz YDXMAUJYSMMPTE-UHFFFAOYSA-N 1 1 303.366 1.615 20 5 DDBDMO Cc1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610283862 721901546 /nfs/dbraw/zinc/90/15/46/721901546.db2.gz IZJHEKKIVBLHIC-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO [NH3+][C@@H](CC(F)F)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211643207 736333213 /nfs/dbraw/zinc/33/32/13/736333213.db2.gz UEBSAHJMRUTYNJ-YFKPBYRVSA-N 1 1 303.200 1.834 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001167351069 733271779 /nfs/dbraw/zinc/27/17/79/733271779.db2.gz AUAAZVMETFBMLB-UHFFFAOYSA-N 1 1 321.728 1.039 20 5 DDBDMO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C ZINC001022063884 734368235 /nfs/dbraw/zinc/36/82/35/734368235.db2.gz NSSRMXONFGWAEN-WRWGMCAJSA-N 1 1 324.406 1.162 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775849 736853394 /nfs/dbraw/zinc/85/33/94/736853394.db2.gz OGGWQCQAJADFSU-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775849 736853398 /nfs/dbraw/zinc/85/33/98/736853398.db2.gz OGGWQCQAJADFSU-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775849 736853403 /nfs/dbraw/zinc/85/34/03/736853403.db2.gz OGGWQCQAJADFSU-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001181399793 743191083 /nfs/dbraw/zinc/19/10/83/743191083.db2.gz NGMQXTYBQPJWNJ-QMMMGPOBSA-N 1 1 310.228 1.322 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cn[nH]c1 ZINC001031559531 747033651 /nfs/dbraw/zinc/03/36/51/747033651.db2.gz QHPJZIADPIQGGO-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H](CO)[C@H](CCO)C3)nc2c1 ZINC001198754686 747599671 /nfs/dbraw/zinc/59/96/71/747599671.db2.gz VLPXWCDZUSVHHR-MNOVXSKESA-N 1 1 321.333 1.159 20 5 DDBDMO O=C(CCc1cnc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128986346 750687380 /nfs/dbraw/zinc/68/73/80/750687380.db2.gz SIQQUNOQQJAHQH-UHFFFAOYSA-N 1 1 317.349 1.157 20 5 DDBDMO Cc1cc(-n2cnc(C[NH3+])n2)c([N+](=O)[O-])cc1Br ZINC001168756223 750692349 /nfs/dbraw/zinc/69/23/49/750692349.db2.gz BSFIMXKOFACMIN-UHFFFAOYSA-N 1 1 312.127 1.705 20 5 DDBDMO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040700296 762652566 /nfs/dbraw/zinc/65/25/66/762652566.db2.gz LMLGAUDOCJAEQA-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086084563 760944857 /nfs/dbraw/zinc/94/48/57/760944857.db2.gz VWOWVDVOMRNJMQ-YXCITZCRSA-N 1 1 323.418 1.706 20 5 DDBDMO C[NH+](C)CCCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001148360111 773456122 /nfs/dbraw/zinc/45/61/22/773456122.db2.gz ORAYQNZWDYRUIE-UHFFFAOYSA-N 1 1 322.409 1.533 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093770679 775067054 /nfs/dbraw/zinc/06/70/54/775067054.db2.gz CSKWCVQUTXIXMV-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093840670 775125973 /nfs/dbraw/zinc/12/59/73/775125973.db2.gz PGDHGKGWCMHRHM-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO O=[N+]([O-])c1cccc(OCCN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001176776794 778235813 /nfs/dbraw/zinc/23/58/13/778235813.db2.gz AUIITABGHHAIKD-JSGCOSHPSA-N 1 1 309.341 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001176776794 778235825 /nfs/dbraw/zinc/23/58/25/778235825.db2.gz AUIITABGHHAIKD-JSGCOSHPSA-N 1 1 309.341 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)c1 ZINC001176776794 778235826 /nfs/dbraw/zinc/23/58/26/778235826.db2.gz AUIITABGHHAIKD-JSGCOSHPSA-N 1 1 309.341 1.702 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001119984889 781709122 /nfs/dbraw/zinc/70/91/22/781709122.db2.gz WZNLULNCDVLPPQ-OLZOCXBDSA-N 1 1 306.366 1.334 20 5 DDBDMO C[N@H+](CCNC(=O)COC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001267193038 837509192 /nfs/dbraw/zinc/50/91/92/837509192.db2.gz XAAZENTZXFWPAR-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO C[N@@H+](CCNC(=O)COC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001267193038 837509202 /nfs/dbraw/zinc/50/92/02/837509202.db2.gz XAAZENTZXFWPAR-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001122111976 858689043 /nfs/dbraw/zinc/68/90/43/858689043.db2.gz PWAOQURFPIUQHF-CQSZACIVSA-N 1 1 320.393 1.921 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001140660975 860669768 /nfs/dbraw/zinc/66/97/68/860669768.db2.gz MNYNZHIKPKBWNQ-MRVPVSSYSA-N 1 1 315.761 1.528 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001140660975 860669772 /nfs/dbraw/zinc/66/97/72/860669772.db2.gz MNYNZHIKPKBWNQ-MRVPVSSYSA-N 1 1 315.761 1.528 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001152052965 863134930 /nfs/dbraw/zinc/13/49/30/863134930.db2.gz KXPBCSXWNDWWLS-GFCCVEGCSA-N 1 1 321.381 1.845 20 5 DDBDMO Cc1[nH+]c(N)ccc1CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156974315 863490089 /nfs/dbraw/zinc/49/00/89/863490089.db2.gz HTIWYZBIVCLLEQ-UHFFFAOYSA-N 1 1 304.266 1.796 20 5 DDBDMO CCOc1nc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157271747 863701343 /nfs/dbraw/zinc/70/13/43/863701343.db2.gz JEPFBZOOKHSRLO-DGCLKSJQSA-N 1 1 306.366 1.919 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001329562580 863731880 /nfs/dbraw/zinc/73/18/80/863731880.db2.gz VIHQMWRTESEIKL-IAQYHMDHSA-N 1 1 303.362 1.820 20 5 DDBDMO CN(CC[N@@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001157551582 863914596 /nfs/dbraw/zinc/91/45/96/863914596.db2.gz LHEMLVZZDOKVFG-UHFFFAOYSA-N 1 1 316.361 1.796 20 5 DDBDMO O=C(NCCC[NH2+]C/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761387 864111664 /nfs/dbraw/zinc/11/16/64/864111664.db2.gz QDNNXRARWMYTDP-JFCGUDLGSA-N 1 1 303.362 1.461 20 5 DDBDMO Cn1cc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c([N+](=O)[O-])n1 ZINC001332271091 865713141 /nfs/dbraw/zinc/71/31/41/865713141.db2.gz QXDMZYAZBWVLDW-ZDUSSCGKSA-N 1 1 322.365 1.779 20 5 DDBDMO COc1cc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160722167 866067093 /nfs/dbraw/zinc/06/70/93/866067093.db2.gz FKVHXZISEQSIFB-VXGBXAGGSA-N 1 1 322.365 1.664 20 5 DDBDMO Cc1c(F)cnc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161703477 866909297 /nfs/dbraw/zinc/90/92/97/866909297.db2.gz GAHBPMIYPCVDJK-UHFFFAOYSA-N 1 1 311.361 1.487 20 5 DDBDMO Cc1ncc(Nc2cc(C=C[NH+](C)C)c([N+](=O)[O-])cn2)c(=O)[nH]1 ZINC001162303597 867426994 /nfs/dbraw/zinc/42/69/94/867426994.db2.gz VUIRFZBACHRLPY-SGUJLRQBSA-N 1 1 316.321 1.332 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC001334613745 867710515 /nfs/dbraw/zinc/71/05/15/867710515.db2.gz JGWGQTPHQHFIPT-KBMXLJTQSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC001334613745 867710519 /nfs/dbraw/zinc/71/05/19/867710519.db2.gz JGWGQTPHQHFIPT-KBMXLJTQSA-N 1 1 304.346 1.757 20 5 DDBDMO Cc1cnc(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001163117555 868114349 /nfs/dbraw/zinc/11/43/49/868114349.db2.gz JXSFACOFHUVIHF-GFCCVEGCSA-N 1 1 322.365 1.403 20 5 DDBDMO O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494536 869231329 /nfs/dbraw/zinc/23/13/29/869231329.db2.gz LEOIAWGNDDUVQA-ZIAGYGMSSA-N 1 1 309.410 1.718 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226213566 882284402 /nfs/dbraw/zinc/28/44/02/882284402.db2.gz DVSAKKVLQWEQQP-GFCCVEGCSA-N 1 1 308.334 1.783 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257492 882310463 /nfs/dbraw/zinc/31/04/63/882310463.db2.gz GLISUGMRHSOQLJ-SNVBAGLBSA-N 1 1 301.730 1.743 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257492 882310479 /nfs/dbraw/zinc/31/04/79/882310479.db2.gz GLISUGMRHSOQLJ-SNVBAGLBSA-N 1 1 301.730 1.743 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCn3c(C)[nH+]cc3C2)n1 ZINC001165385516 869559231 /nfs/dbraw/zinc/55/92/31/869559231.db2.gz QCXYOIXTBUXWGU-UHFFFAOYSA-N 1 1 304.310 1.227 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001338463882 869992915 /nfs/dbraw/zinc/99/29/15/869992915.db2.gz NPNWPZZTTRJZBA-NHCYSSNCSA-N 1 1 307.325 1.804 20 5 DDBDMO Nc1cc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001339824726 870715559 /nfs/dbraw/zinc/71/55/59/870715559.db2.gz RKDIJPVPWZTSNG-CMPLNLGQSA-N 1 1 309.395 1.564 20 5 DDBDMO COCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001317448359 870859624 /nfs/dbraw/zinc/85/96/24/870859624.db2.gz SFCFHZLBNOKIAB-HUUCEWRRSA-N 1 1 321.377 1.046 20 5 DDBDMO COCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001317448359 870859635 /nfs/dbraw/zinc/85/96/35/870859635.db2.gz SFCFHZLBNOKIAB-HUUCEWRRSA-N 1 1 321.377 1.046 20 5 DDBDMO COCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001317448359 870859653 /nfs/dbraw/zinc/85/96/53/870859653.db2.gz SFCFHZLBNOKIAB-HUUCEWRRSA-N 1 1 321.377 1.046 20 5 DDBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccon1 ZINC001317685674 871408542 /nfs/dbraw/zinc/40/85/42/871408542.db2.gz AQZTVQTXHNDOJX-CHWSQXEVSA-N 1 1 310.354 1.057 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001205229355 871446520 /nfs/dbraw/zinc/44/65/20/871446520.db2.gz ALRZSBRSLFRRJV-IYODYBDTSA-N 1 1 301.774 1.232 20 5 DDBDMO O=C(NCC12CCC[NH+](CCC1)C2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001347861193 874292335 /nfs/dbraw/zinc/29/23/35/874292335.db2.gz GCADBUYVILXXRN-UHFFFAOYSA-N 1 1 319.361 1.906 20 5 DDBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001350549494 875752919 /nfs/dbraw/zinc/75/29/19/875752919.db2.gz MRMKMJLYUSYGRN-UHFFFAOYSA-N 1 1 324.429 1.335 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001350606269 875781613 /nfs/dbraw/zinc/78/16/13/875781613.db2.gz RJITZYHAESPYMA-NSHDSACASA-N 1 1 307.354 1.783 20 5 DDBDMO O=C(NCCCCC[NH+]1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC001358213640 880369887 /nfs/dbraw/zinc/36/98/87/880369887.db2.gz QRTWWCAEXXPPED-UHFFFAOYSA-N 1 1 320.393 1.400 20 5 DDBDMO COC(=O)c1cc(COC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001223689328 881059314 /nfs/dbraw/zinc/05/93/14/881059314.db2.gz YRLHUBFHVLERAB-UHFFFAOYSA-N 1 1 308.334 1.991 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233863727 887401106 /nfs/dbraw/zinc/40/11/06/887401106.db2.gz YUTQRSQOIYHHSR-LLVKDONJSA-N 1 1 309.322 1.640 20 5 DDBDMO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC001234056094 887598677 /nfs/dbraw/zinc/59/86/77/887598677.db2.gz CSPDCWRHZQDURF-GFCCVEGCSA-N 1 1 324.333 1.481 20 5 DDBDMO CC(C)(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC001251498073 894713887 /nfs/dbraw/zinc/71/38/87/894713887.db2.gz GTJMBIYMTZQVNL-GFCCVEGCSA-N 1 1 321.381 1.223 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001254559274 896501834 /nfs/dbraw/zinc/50/18/34/896501834.db2.gz JYIGVSUVLYJDND-TZMCWYRMSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001254559274 896501848 /nfs/dbraw/zinc/50/18/48/896501848.db2.gz JYIGVSUVLYJDND-TZMCWYRMSA-N 1 1 303.362 1.832 20 5 DDBDMO COCCN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592936 896520194 /nfs/dbraw/zinc/52/01/94/896520194.db2.gz HGOASBWURAMGOY-INIZCTEOSA-N 1 1 305.378 1.326 20 5 DDBDMO O=C1NC[C@@H]2CC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254602094 896524393 /nfs/dbraw/zinc/52/43/93/896524393.db2.gz AYUIHCAFDWUGFH-CQDKDKBSSA-N 1 1 301.346 1.130 20 5 DDBDMO CC(=O)N1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254606851 896527634 /nfs/dbraw/zinc/52/76/34/896527634.db2.gz IQWMVIYCBAQFNT-BDJLRTHQSA-N 1 1 303.362 1.615 20 5 DDBDMO CC(=O)N1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254606851 896527646 /nfs/dbraw/zinc/52/76/46/896527646.db2.gz IQWMVIYCBAQFNT-BDJLRTHQSA-N 1 1 303.362 1.615 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001263074194 900481881 /nfs/dbraw/zinc/48/18/81/900481881.db2.gz ZQSAPGJGYPWFFI-MELADBBJSA-N 1 1 318.377 1.734 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000286540059 219043327 /nfs/dbraw/zinc/04/33/27/219043327.db2.gz RUSARBMIQOVBKN-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248969474 282122375 /nfs/dbraw/zinc/12/23/75/282122375.db2.gz SKIBTXCYIIUYPB-FZMZJTMJSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278590844 214259420 /nfs/dbraw/zinc/25/94/20/214259420.db2.gz YWZGFEMHFIVVOZ-NSHDSACASA-N 1 1 318.381 1.519 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614663074 361969961 /nfs/dbraw/zinc/96/99/61/361969961.db2.gz VRGZQSWUKOJGIO-HNNXBMFYSA-N 1 1 308.334 1.713 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452073135 231290370 /nfs/dbraw/zinc/29/03/70/231290370.db2.gz YKGHVHLIJPLEDC-ZWNOBZJWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452073135 231290374 /nfs/dbraw/zinc/29/03/74/231290374.db2.gz YKGHVHLIJPLEDC-ZWNOBZJWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000615037695 362123801 /nfs/dbraw/zinc/12/38/01/362123801.db2.gz IYVPUEPMPMCFLQ-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000615037695 362123803 /nfs/dbraw/zinc/12/38/03/362123803.db2.gz IYVPUEPMPMCFLQ-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO CCc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000414448791 529753368 /nfs/dbraw/zinc/75/33/68/529753368.db2.gz SROIWUBSQMBZPZ-UHFFFAOYSA-N 1 1 316.365 1.981 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615873069 362473392 /nfs/dbraw/zinc/47/33/92/362473392.db2.gz RIVSSEKLGHGIIR-OAHLLOKOSA-N 1 1 319.361 1.669 20 5 DDBDMO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272663212 210067987 /nfs/dbraw/zinc/06/79/87/210067987.db2.gz IFNLNRGLFWEVJV-NWDGAFQWSA-N 1 1 307.350 1.903 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621872 210023435 /nfs/dbraw/zinc/02/34/35/210023435.db2.gz UVHHPDIMZDTJPU-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000150712920 186059109 /nfs/dbraw/zinc/05/91/09/186059109.db2.gz KZYVZOTYAKBQNH-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO C[N@@H+](CCn1cccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181868746 186212939 /nfs/dbraw/zinc/21/29/39/186212939.db2.gz AOPHEOIMUYJGTD-CYBMUJFWSA-N 1 1 320.349 1.163 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1OC ZINC000265975348 186344559 /nfs/dbraw/zinc/34/45/59/186344559.db2.gz XBFJPTWTYRPIPH-NSHDSACASA-N 1 1 323.349 1.436 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000172831565 198155500 /nfs/dbraw/zinc/15/55/00/198155500.db2.gz OLTQPEBYUCUXOC-GFCCVEGCSA-N 1 1 323.397 1.583 20 5 DDBDMO C[C@H](O)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072713433 191219053 /nfs/dbraw/zinc/21/90/53/191219053.db2.gz NCZPOONWYQDALE-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072713433 191219056 /nfs/dbraw/zinc/21/90/56/191219056.db2.gz NCZPOONWYQDALE-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072875154 191246626 /nfs/dbraw/zinc/24/66/26/191246626.db2.gz NLLPAKBRCSDUTE-VIFPVBQESA-N 1 1 307.306 1.746 20 5 DDBDMO C[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072875154 191246628 /nfs/dbraw/zinc/24/66/28/191246628.db2.gz NLLPAKBRCSDUTE-VIFPVBQESA-N 1 1 307.306 1.746 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057159662 352802350 /nfs/dbraw/zinc/80/23/50/352802350.db2.gz XIYBSZJHIJRCLO-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491561347 234205026 /nfs/dbraw/zinc/20/50/26/234205026.db2.gz JRXKHSIFJNDSNL-SYAFZNNESA-N 1 1 301.346 1.961 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000064516646 352939924 /nfs/dbraw/zinc/93/99/24/352939924.db2.gz MAVGZPRZFQLEOU-CQSZACIVSA-N 1 1 310.350 1.039 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069485737 353163099 /nfs/dbraw/zinc/16/30/99/353163099.db2.gz DCMQZXFWQYRQAG-LBPRGKRZSA-N 1 1 323.393 1.992 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069528738 353166296 /nfs/dbraw/zinc/16/62/96/353166296.db2.gz BBBAJQHDBJYMDE-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173917226 198268180 /nfs/dbraw/zinc/26/81/80/198268180.db2.gz FRVOXBCVSSZXSE-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO Cc1nn(C)c(N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000074773413 353330081 /nfs/dbraw/zinc/33/00/81/353330081.db2.gz BGDQCOYZBKVPCZ-UHFFFAOYSA-N 1 1 311.386 1.184 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000077209572 353457002 /nfs/dbraw/zinc/45/70/02/353457002.db2.gz BPFUKFMFVLLGDQ-UHFFFAOYSA-N 1 1 305.313 1.794 20 5 DDBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080947209 353638404 /nfs/dbraw/zinc/63/84/04/353638404.db2.gz QGQFIXYFRIXKJX-UHFFFAOYSA-N 1 1 324.356 1.334 20 5 DDBDMO CN(C)C(=O)C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080947209 353638405 /nfs/dbraw/zinc/63/84/05/353638405.db2.gz QGQFIXYFRIXKJX-UHFFFAOYSA-N 1 1 324.356 1.334 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(C(F)(F)F)CC2)n1 ZINC000089970337 353786148 /nfs/dbraw/zinc/78/61/48/353786148.db2.gz HROBPQXBOGBDPG-UHFFFAOYSA-N 1 1 308.260 1.181 20 5 DDBDMO CCc1nn(C)c(N[C@@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000094156437 353911669 /nfs/dbraw/zinc/91/16/69/353911669.db2.gz MQUVWEQQMSKBNE-LLVKDONJSA-N 1 1 311.386 1.413 20 5 DDBDMO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000124876260 354042030 /nfs/dbraw/zinc/04/20/30/354042030.db2.gz FFKVGDUWMIBWBY-DTWKUNHWSA-N 1 1 317.342 1.282 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000129904248 354087065 /nfs/dbraw/zinc/08/70/65/354087065.db2.gz ITJFZHNJHZWWOT-GXFFZTMASA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000129904248 354087069 /nfs/dbraw/zinc/08/70/69/354087069.db2.gz ITJFZHNJHZWWOT-GXFFZTMASA-N 1 1 308.338 1.435 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000153631533 354199799 /nfs/dbraw/zinc/19/97/99/354199799.db2.gz RWDOWLRFFWZHFZ-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000153631533 354199803 /nfs/dbraw/zinc/19/98/03/354199803.db2.gz RWDOWLRFFWZHFZ-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617897645 363361296 /nfs/dbraw/zinc/36/12/96/363361296.db2.gz CHZPGMGJJKHNIH-GFCCVEGCSA-N 1 1 323.349 1.954 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617897645 363361302 /nfs/dbraw/zinc/36/13/02/363361302.db2.gz CHZPGMGJJKHNIH-GFCCVEGCSA-N 1 1 323.349 1.954 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038198 354223889 /nfs/dbraw/zinc/22/38/89/354223889.db2.gz HONAWWFSCWSRTM-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038198 354223893 /nfs/dbraw/zinc/22/38/93/354223893.db2.gz HONAWWFSCWSRTM-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO CCc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157276799 354224524 /nfs/dbraw/zinc/22/45/24/354224524.db2.gz QJMLRCIQRMYOIY-ABAIWWIYSA-N 1 1 321.377 1.606 20 5 DDBDMO CCc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157276799 354224529 /nfs/dbraw/zinc/22/45/29/354224529.db2.gz QJMLRCIQRMYOIY-ABAIWWIYSA-N 1 1 321.377 1.606 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000588823604 354939415 /nfs/dbraw/zinc/93/94/15/354939415.db2.gz LDXZRTJOCAWLMB-GFCCVEGCSA-N 1 1 309.370 1.031 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000590697141 355150141 /nfs/dbraw/zinc/15/01/41/355150141.db2.gz GHKFQGBSUVFVMR-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000590697141 355150147 /nfs/dbraw/zinc/15/01/47/355150147.db2.gz GHKFQGBSUVFVMR-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000590776511 355176688 /nfs/dbraw/zinc/17/66/88/355176688.db2.gz FHNFWSAJSCLNIO-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000591054807 355238790 /nfs/dbraw/zinc/23/87/90/355238790.db2.gz DNSXFDCRCPXOCS-IUODEOHRSA-N 1 1 310.350 1.039 20 5 DDBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446778 355586766 /nfs/dbraw/zinc/58/67/66/355586766.db2.gz XCNPQBAADKEHJK-HUUCEWRRSA-N 1 1 320.393 1.829 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593029175 355774169 /nfs/dbraw/zinc/77/41/69/355774169.db2.gz WGPZXEZSNRGWPK-LBPRGKRZSA-N 1 1 321.377 1.907 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000593025035 355772326 /nfs/dbraw/zinc/77/23/26/355772326.db2.gz RHCLMNQKJHPWEQ-SNVBAGLBSA-N 1 1 318.333 1.966 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070263 355786543 /nfs/dbraw/zinc/78/65/43/355786543.db2.gz VYTWCBRCFGPTNF-CABCVRRESA-N 1 1 324.377 1.835 20 5 DDBDMO [NH3+]CC1(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000593914982 356057187 /nfs/dbraw/zinc/05/71/87/356057187.db2.gz RYWWPNMPHJMCED-UHFFFAOYSA-N 1 1 303.322 1.330 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594603130 356261916 /nfs/dbraw/zinc/26/19/16/356261916.db2.gz KNMDSTPCNUHVEK-UONOGXRCSA-N 1 1 314.345 1.398 20 5 DDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595384344 356473970 /nfs/dbraw/zinc/47/39/70/356473970.db2.gz JBSLOGKHDREVAE-CQSZACIVSA-N 1 1 314.313 1.792 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1COCCO1 ZINC000595738008 356629379 /nfs/dbraw/zinc/62/93/79/356629379.db2.gz UUDJBLBKBVADAM-FZMZJTMJSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1COCCO1 ZINC000595738008 356629381 /nfs/dbraw/zinc/62/93/81/356629381.db2.gz UUDJBLBKBVADAM-FZMZJTMJSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595767186 356644110 /nfs/dbraw/zinc/64/41/10/356644110.db2.gz WPDQIRKVYFZDSF-WCQYABFASA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756499 356639006 /nfs/dbraw/zinc/63/90/06/356639006.db2.gz GMPCFPUGDNDKMI-MLGOLLRUSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756499 356639011 /nfs/dbraw/zinc/63/90/11/356639011.db2.gz GMPCFPUGDNDKMI-MLGOLLRUSA-N 1 1 319.361 1.810 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000595856719 356679056 /nfs/dbraw/zinc/67/90/56/356679056.db2.gz PZOVWVAINUUASK-TXEJJXNPSA-N 1 1 308.334 1.987 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595856990 356679781 /nfs/dbraw/zinc/67/97/81/356679781.db2.gz HERBBDFSXKPMRO-INWMFGNUSA-N 1 1 324.377 1.285 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596143855 356790026 /nfs/dbraw/zinc/79/00/26/356790026.db2.gz WJUBMDGLWLXDTA-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166793 356799465 /nfs/dbraw/zinc/79/94/65/356799465.db2.gz WQOGNJRHMGBWAQ-BXUZGUMPSA-N 1 1 318.377 1.614 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597859577 357361143 /nfs/dbraw/zinc/36/11/43/357361143.db2.gz VFNYJBUBRWPORO-SNVBAGLBSA-N 1 1 324.356 1.919 20 5 DDBDMO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597943903 357392522 /nfs/dbraw/zinc/39/25/22/357392522.db2.gz ASTZXXGEDFTUMA-GFCCVEGCSA-N 1 1 306.366 1.803 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598589081 357643485 /nfs/dbraw/zinc/64/34/85/357643485.db2.gz CVUFVKBDWALIFM-RYUDHWBXSA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598599433 357648622 /nfs/dbraw/zinc/64/86/22/357648622.db2.gz OCIOIOVKVWRQLK-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598599433 357648625 /nfs/dbraw/zinc/64/86/25/357648625.db2.gz OCIOIOVKVWRQLK-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000599176767 357840182 /nfs/dbraw/zinc/84/01/82/357840182.db2.gz XGBJSYLRPJWXDQ-SECBINFHSA-N 1 1 320.271 1.487 20 5 DDBDMO COc1cncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000599387776 357919301 /nfs/dbraw/zinc/91/93/01/357919301.db2.gz RRNCCTJHDOQPDB-UHFFFAOYSA-N 1 1 318.337 1.427 20 5 DDBDMO CN(C(=O)C[N@H+](C)CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599571558 357978918 /nfs/dbraw/zinc/97/89/18/357978918.db2.gz LMPFIESBKZHEJQ-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599571558 357978922 /nfs/dbraw/zinc/97/89/22/357978922.db2.gz LMPFIESBKZHEJQ-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599674123 358019244 /nfs/dbraw/zinc/01/92/44/358019244.db2.gz YMWHOYNNBQAFQJ-TXEJJXNPSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600111388 358126727 /nfs/dbraw/zinc/12/67/27/358126727.db2.gz HVMLVHCGUNCPMZ-UHFFFAOYSA-N 1 1 319.361 1.532 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000600315467 358193984 /nfs/dbraw/zinc/19/39/84/358193984.db2.gz TVRDUTYDWMIBLM-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600536361 358250340 /nfs/dbraw/zinc/25/03/40/358250340.db2.gz SNTFYKWADJIZEK-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600692045 358284428 /nfs/dbraw/zinc/28/44/28/358284428.db2.gz RUIWBKLHZNNGIE-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601123815 358411490 /nfs/dbraw/zinc/41/14/90/358411490.db2.gz KSKHZSVDJCHLGQ-UHFFFAOYSA-N 1 1 312.345 1.676 20 5 DDBDMO O=C1NC[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CCN12 ZINC000601125523 358412734 /nfs/dbraw/zinc/41/27/34/358412734.db2.gz HQYMPIZVHSIYAC-LLVKDONJSA-N 1 1 313.317 1.357 20 5 DDBDMO O=C1NCCC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601173603 358432830 /nfs/dbraw/zinc/43/28/30/358432830.db2.gz DOSQNLHPJXOQKI-JTQLQIEISA-N 1 1 300.318 1.503 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602476908 359003597 /nfs/dbraw/zinc/00/35/97/359003597.db2.gz XTHGIVIPWASGJC-GFCCVEGCSA-N 1 1 321.381 1.163 20 5 DDBDMO Cn1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484133 359010343 /nfs/dbraw/zinc/01/03/43/359010343.db2.gz HPIFYHOSWNSOLR-WFASDCNBSA-N 1 1 319.409 1.777 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000602834591 359226238 /nfs/dbraw/zinc/22/62/38/359226238.db2.gz ULJGAACBBUHLQY-CQSZACIVSA-N 1 1 301.350 1.984 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000602851686 359239357 /nfs/dbraw/zinc/23/93/57/359239357.db2.gz CAFQMLHOOUUXRD-UONOGXRCSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000602823054 359217607 /nfs/dbraw/zinc/21/76/07/359217607.db2.gz VQPNNXBFFDUINY-GFCCVEGCSA-N 1 1 324.381 1.370 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964441 359328118 /nfs/dbraw/zinc/32/81/18/359328118.db2.gz PNLVSYXNQSMROH-HOTGVXAUSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000603143332 359432356 /nfs/dbraw/zinc/43/23/56/359432356.db2.gz SRVVMEKKUOGDGS-ZDUSSCGKSA-N 1 1 323.397 1.370 20 5 DDBDMO O=[N+]([O-])c1ccccc1Cn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000603187273 359466924 /nfs/dbraw/zinc/46/69/24/359466924.db2.gz PXAVPMNXWAZCEW-AWEZNQCLSA-N 1 1 317.349 1.191 20 5 DDBDMO O=[N+]([O-])c1ccccc1Cn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000603187273 359466927 /nfs/dbraw/zinc/46/69/27/359466927.db2.gz PXAVPMNXWAZCEW-AWEZNQCLSA-N 1 1 317.349 1.191 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000186749875 200003560 /nfs/dbraw/zinc/00/35/60/200003560.db2.gz SQBHGEHCFHMHML-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000186755292 200003889 /nfs/dbraw/zinc/00/38/89/200003889.db2.gz OHQWHQPLBHTXDX-NSHDSACASA-N 1 1 320.305 1.321 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186934837 200034059 /nfs/dbraw/zinc/03/40/59/200034059.db2.gz XDMOSLODHHBDPO-GFCCVEGCSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000186955050 200037451 /nfs/dbraw/zinc/03/74/51/200037451.db2.gz VCEOYVBCGKHQMJ-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000609883750 360360030 /nfs/dbraw/zinc/36/00/30/360360030.db2.gz STYNPGBLBZSYSP-VIFPVBQESA-N 1 1 307.306 1.272 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000610177832 360388913 /nfs/dbraw/zinc/38/89/13/360388913.db2.gz HUXVWSPPVVOONH-YPMHNXCESA-N 1 1 308.382 1.736 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000610213850 360392086 /nfs/dbraw/zinc/39/20/86/360392086.db2.gz WYGNJOUZVOJJDX-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000610213850 360392089 /nfs/dbraw/zinc/39/20/89/360392089.db2.gz WYGNJOUZVOJJDX-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)C1CC1 ZINC000610391282 360424400 /nfs/dbraw/zinc/42/44/00/360424400.db2.gz HKFRXQLZYBNRNW-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)C1CC1 ZINC000610391282 360424402 /nfs/dbraw/zinc/42/44/02/360424402.db2.gz HKFRXQLZYBNRNW-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@H+](C[C@H](O)C1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610572869 360473882 /nfs/dbraw/zinc/47/38/82/360473882.db2.gz PCWYNLYEAVHLFY-ZFWWWQNUSA-N 1 1 310.350 1.037 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610910069 360570639 /nfs/dbraw/zinc/57/06/39/360570639.db2.gz NJHXJLHTICBRFG-LBPRGKRZSA-N 1 1 309.341 1.640 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000610912567 360570787 /nfs/dbraw/zinc/57/07/87/360570787.db2.gz YMUVKGTWURJEJS-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000610912567 360570791 /nfs/dbraw/zinc/57/07/91/360570791.db2.gz YMUVKGTWURJEJS-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000610922440 360572241 /nfs/dbraw/zinc/57/22/41/360572241.db2.gz BALPZUZKTOJCGC-NSHDSACASA-N 1 1 321.381 1.655 20 5 DDBDMO C[N@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610930180 360573939 /nfs/dbraw/zinc/57/39/39/360573939.db2.gz SHMHRCMSVQBJTG-UHFFFAOYSA-N 1 1 307.350 1.504 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000611091851 360621464 /nfs/dbraw/zinc/62/14/64/360621464.db2.gz AFNPTAZZDAAUEG-GFCCVEGCSA-N 1 1 321.377 1.987 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252705 363945807 /nfs/dbraw/zinc/94/58/07/363945807.db2.gz NOMUVPMXMVGGIY-TZMCWYRMSA-N 1 1 307.325 1.853 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000093632927 193277142 /nfs/dbraw/zinc/27/71/42/193277142.db2.gz NIANBVFRRUCONW-LLVKDONJSA-N 1 1 318.782 1.915 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@H](C)O ZINC000266309727 205255854 /nfs/dbraw/zinc/25/58/54/205255854.db2.gz DIKFHRDHFWDIDC-QWHCGFSZSA-N 1 1 308.382 1.580 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000288503201 220185421 /nfs/dbraw/zinc/18/54/21/220185421.db2.gz SFJOYBSYMOJDKB-ZDUSSCGKSA-N 1 1 321.377 1.690 20 5 DDBDMO CO[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000267804795 206295087 /nfs/dbraw/zinc/29/50/87/206295087.db2.gz LPOZHXREVDABKO-ZDUSSCGKSA-N 1 1 305.334 1.205 20 5 DDBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000267804795 206295089 /nfs/dbraw/zinc/29/50/89/206295089.db2.gz LPOZHXREVDABKO-ZDUSSCGKSA-N 1 1 305.334 1.205 20 5 DDBDMO C[C@H](CCCC[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336848697 249254196 /nfs/dbraw/zinc/25/41/96/249254196.db2.gz MEZLOGVADGQADU-SECBINFHSA-N 1 1 319.358 1.530 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000104850677 194046788 /nfs/dbraw/zinc/04/67/88/194046788.db2.gz COHNZNGJWDLJOS-NSHDSACASA-N 1 1 320.393 1.947 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)c2ncc([N+](=O)[O-])cc2Cl)[N@@H+](C)C1 ZINC000284665802 218123744 /nfs/dbraw/zinc/12/37/44/218123744.db2.gz YGNKRSDNKJTFMH-QWRGUYRKSA-N 1 1 314.773 1.799 20 5 DDBDMO CC[N@@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000338824980 250152320 /nfs/dbraw/zinc/15/23/20/250152320.db2.gz OYCAWNQQPGTCQO-UHFFFAOYSA-N 1 1 309.370 1.127 20 5 DDBDMO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159440902 197354651 /nfs/dbraw/zinc/35/46/51/197354651.db2.gz LWQMDCPVJAABLM-BDAKNGLRSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159440902 197354653 /nfs/dbraw/zinc/35/46/53/197354653.db2.gz LWQMDCPVJAABLM-BDAKNGLRSA-N 1 1 315.757 1.888 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339138257 250309821 /nfs/dbraw/zinc/30/98/21/250309821.db2.gz ZTPJQTQEMANPEP-LBPRGKRZSA-N 1 1 307.350 1.833 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000339140070 250311784 /nfs/dbraw/zinc/31/17/84/250311784.db2.gz LDAUOCDJSNKIDX-ZDUSSCGKSA-N 1 1 307.350 1.704 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023398 207174165 /nfs/dbraw/zinc/17/41/65/207174165.db2.gz QIGAAVSCRRJLHH-MNOVXSKESA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023398 207174168 /nfs/dbraw/zinc/17/41/68/207174168.db2.gz QIGAAVSCRRJLHH-MNOVXSKESA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023398 207174171 /nfs/dbraw/zinc/17/41/71/207174171.db2.gz QIGAAVSCRRJLHH-MNOVXSKESA-N 1 1 307.354 1.183 20 5 DDBDMO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CSC[NH2+]1 ZINC000269071098 207218727 /nfs/dbraw/zinc/21/87/27/207218727.db2.gz FHOOCIIVLCFYFP-JTQLQIEISA-N 1 1 301.755 1.527 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000063758281 184287948 /nfs/dbraw/zinc/28/79/48/184287948.db2.gz DHUIVWJCBNAETD-CYBMUJFWSA-N 1 1 323.397 1.420 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccco2)cc1 ZINC000342347432 207369850 /nfs/dbraw/zinc/36/98/50/207369850.db2.gz TWZUMHFWDGEXGV-UHFFFAOYSA-N 1 1 310.331 1.751 20 5 DDBDMO COC(=O)[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000414493342 533006578 /nfs/dbraw/zinc/00/65/78/533006578.db2.gz IFMNTMWLVBLGPQ-CQSZACIVSA-N 1 1 321.377 1.440 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)CC1CC1 ZINC000352467463 285072079 /nfs/dbraw/zinc/07/20/79/285072079.db2.gz KVCAQDNYVDOJFJ-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO O=C1[C@@H]([N@@H+](CCO)CC2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000352468358 285072681 /nfs/dbraw/zinc/07/26/81/285072681.db2.gz ROSAXQKVPKRIKD-HNNXBMFYSA-N 1 1 319.361 1.404 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000288627594 220302251 /nfs/dbraw/zinc/30/22/51/220302251.db2.gz YGPJIFAQUAGHRG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000288627594 220302252 /nfs/dbraw/zinc/30/22/52/220302252.db2.gz YGPJIFAQUAGHRG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000286530195 219038765 /nfs/dbraw/zinc/03/87/65/219038765.db2.gz NQFRHLXOIABREJ-TZMCWYRMSA-N 1 1 310.350 1.827 20 5 DDBDMO CN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000352700715 285238927 /nfs/dbraw/zinc/23/89/27/285238927.db2.gz UFJJWJOORWPDPX-ZDUSSCGKSA-N 1 1 320.349 1.086 20 5 DDBDMO O=C(NCCC[C@@H]1CCC[NH2+]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294798262 224228368 /nfs/dbraw/zinc/22/83/68/224228368.db2.gz IDNUSMGRQWVROL-JTQLQIEISA-N 1 1 317.349 1.733 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444644157 533617785 /nfs/dbraw/zinc/61/77/85/533617785.db2.gz UVCGRVXYJSAQCA-OAHLLOKOSA-N 1 1 318.333 1.856 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444644157 533617790 /nfs/dbraw/zinc/61/77/90/533617790.db2.gz UVCGRVXYJSAQCA-OAHLLOKOSA-N 1 1 318.333 1.856 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068203187 406622538 /nfs/dbraw/zinc/62/25/38/406622538.db2.gz OWWUOIZQMYLQAR-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048907707 407109395 /nfs/dbraw/zinc/10/93/95/407109395.db2.gz ZESNOVVKERVJHV-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048907707 407109397 /nfs/dbraw/zinc/10/93/97/407109397.db2.gz ZESNOVVKERVJHV-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353710 407183595 /nfs/dbraw/zinc/18/35/95/407183595.db2.gz QPIAMHRCXCSKSH-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353710 407183596 /nfs/dbraw/zinc/18/35/96/407183596.db2.gz QPIAMHRCXCSKSH-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO NC(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000102190894 407320877 /nfs/dbraw/zinc/32/08/77/407320877.db2.gz QRCCZKKZDFXIRR-UHFFFAOYSA-N 1 1 308.338 1.060 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCO1 ZINC000102770665 407326629 /nfs/dbraw/zinc/32/66/29/407326629.db2.gz LMVWOVDOTBGQNP-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCO1 ZINC000102770665 407326631 /nfs/dbraw/zinc/32/66/31/407326631.db2.gz LMVWOVDOTBGQNP-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107890888 407381352 /nfs/dbraw/zinc/38/13/52/407381352.db2.gz MMEWSCYBWIFWLI-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185706665 407481728 /nfs/dbraw/zinc/48/17/28/407481728.db2.gz VSZXEHAUDPPJOV-LBPRGKRZSA-N 1 1 308.338 1.108 20 5 DDBDMO COc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000266541157 407552685 /nfs/dbraw/zinc/55/26/85/407552685.db2.gz PTWNSMBUSNPSPT-GFCCVEGCSA-N 1 1 323.349 1.145 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000266541157 407552686 /nfs/dbraw/zinc/55/26/86/407552686.db2.gz PTWNSMBUSNPSPT-GFCCVEGCSA-N 1 1 323.349 1.145 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)O ZINC000114727965 407607569 /nfs/dbraw/zinc/60/75/69/407607569.db2.gz HMHSSWACGGDLDK-UHFFFAOYSA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261783996 407614074 /nfs/dbraw/zinc/61/40/74/407614074.db2.gz XCTOCCKWCFBMTC-RKDXNWHRSA-N 1 1 317.342 1.153 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129180418 407593572 /nfs/dbraw/zinc/59/35/72/407593572.db2.gz FDKQNZHKYSJMJK-OAHLLOKOSA-N 1 1 305.378 1.749 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129180418 407593579 /nfs/dbraw/zinc/59/35/79/407593579.db2.gz FDKQNZHKYSJMJK-OAHLLOKOSA-N 1 1 305.378 1.749 20 5 DDBDMO Cc1c(CN2CCN(c3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000266969698 407699671 /nfs/dbraw/zinc/69/96/71/407699671.db2.gz ZQSMVTQVYKKFAJ-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000186709476 407750574 /nfs/dbraw/zinc/75/05/74/407750574.db2.gz FPZWWAQMMWDXHY-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117398310 407833529 /nfs/dbraw/zinc/83/35/29/407833529.db2.gz QNMVFVOGGFTLDA-LBPRGKRZSA-N 1 1 322.365 1.779 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117398310 407833533 /nfs/dbraw/zinc/83/35/33/407833533.db2.gz QNMVFVOGGFTLDA-LBPRGKRZSA-N 1 1 322.365 1.779 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000153728333 407887683 /nfs/dbraw/zinc/88/76/83/407887683.db2.gz BNSGCCFHOVSBRM-LLVKDONJSA-N 1 1 309.370 1.049 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000153728333 407887688 /nfs/dbraw/zinc/88/76/88/407887688.db2.gz BNSGCCFHOVSBRM-LLVKDONJSA-N 1 1 309.370 1.049 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134306195 407896134 /nfs/dbraw/zinc/89/61/34/407896134.db2.gz QKULMJMVVSFIEQ-LBPRGKRZSA-N 1 1 307.325 1.948 20 5 DDBDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173801531 407896764 /nfs/dbraw/zinc/89/67/64/407896764.db2.gz GLQMLHMIUYTUQV-LRDDRELGSA-N 1 1 316.361 1.599 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154014904 407952375 /nfs/dbraw/zinc/95/23/75/407952375.db2.gz LSQNYWKGZOECNO-VNHYZAJKSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154014904 407952381 /nfs/dbraw/zinc/95/23/81/407952381.db2.gz LSQNYWKGZOECNO-VNHYZAJKSA-N 1 1 324.377 1.752 20 5 DDBDMO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000268402461 408030440 /nfs/dbraw/zinc/03/04/40/408030440.db2.gz QFMIXRMVTLPQMX-UHFFFAOYSA-N 1 1 324.356 1.334 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245856151 408078124 /nfs/dbraw/zinc/07/81/24/408078124.db2.gz KBSJGODASNMMGR-ZBFHGGJFSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245856151 408078129 /nfs/dbraw/zinc/07/81/29/408078129.db2.gz KBSJGODASNMMGR-ZBFHGGJFSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000136151164 408082349 /nfs/dbraw/zinc/08/23/49/408082349.db2.gz XJFPGFNKIMFFID-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000136151164 408082357 /nfs/dbraw/zinc/08/23/57/408082357.db2.gz XJFPGFNKIMFFID-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086660 408282160 /nfs/dbraw/zinc/28/21/60/408282160.db2.gz RFVXITRVHUGMQD-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086660 408282165 /nfs/dbraw/zinc/28/21/65/408282165.db2.gz RFVXITRVHUGMQD-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086660 408282170 /nfs/dbraw/zinc/28/21/70/408282170.db2.gz RFVXITRVHUGMQD-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176191657 408302821 /nfs/dbraw/zinc/30/28/21/408302821.db2.gz QDVPEBHQSNGHGK-UHFFFAOYSA-N 1 1 304.350 1.940 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183186159 408347026 /nfs/dbraw/zinc/34/70/26/408347026.db2.gz SNKOIZSTJNTCCX-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183186159 408347031 /nfs/dbraw/zinc/34/70/31/408347031.db2.gz SNKOIZSTJNTCCX-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000247329392 408452558 /nfs/dbraw/zinc/45/25/58/408452558.db2.gz MXHDUIRISZNAAB-IUODEOHRSA-N 1 1 305.378 1.982 20 5 DDBDMO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000265193139 408575683 /nfs/dbraw/zinc/57/56/83/408575683.db2.gz LHWXDKDBNPZDAD-STQMWFEESA-N 1 1 308.382 1.580 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249262089 408707631 /nfs/dbraw/zinc/70/76/31/408707631.db2.gz HFDYUOJMAWLYAP-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874700 408719465 /nfs/dbraw/zinc/71/94/65/408719465.db2.gz JQFSYHUUKMGFMZ-CABCVRRESA-N 1 1 319.361 1.325 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249507532 408732967 /nfs/dbraw/zinc/73/29/67/408732967.db2.gz LKVRLXFUBPWPED-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251655653 408784525 /nfs/dbraw/zinc/78/45/25/408784525.db2.gz HTRFWMIFWMOBLC-DVOMOZLQSA-N 1 1 324.377 1.691 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000251843402 408787338 /nfs/dbraw/zinc/78/73/38/408787338.db2.gz OITRLJNFMXHMCS-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000251843402 408787341 /nfs/dbraw/zinc/78/73/41/408787341.db2.gz OITRLJNFMXHMCS-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO CCOCCOCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000276282676 408828782 /nfs/dbraw/zinc/82/87/82/408828782.db2.gz RXIYTKGMAUEIKU-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290800155 408834756 /nfs/dbraw/zinc/83/47/56/408834756.db2.gz PRVWCPXDYMNSOC-MNOVXSKESA-N 1 1 319.365 1.152 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276382882 408846839 /nfs/dbraw/zinc/84/68/39/408846839.db2.gz QIOGZTPTDFESMR-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CC[NH+](C)CC1 ZINC000286138130 408929901 /nfs/dbraw/zinc/92/99/01/408929901.db2.gz NJQBYGSYHRZECP-UHFFFAOYSA-N 1 1 306.366 1.457 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194743059 163295202 /nfs/dbraw/zinc/29/52/02/163295202.db2.gz IRVMIZCJAASGPA-ZDUSSCGKSA-N 1 1 318.377 1.993 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000231553451 163349970 /nfs/dbraw/zinc/34/99/70/163349970.db2.gz RWIVUFKVNOXFGD-SNVBAGLBSA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000231553451 163349973 /nfs/dbraw/zinc/34/99/73/163349973.db2.gz RWIVUFKVNOXFGD-SNVBAGLBSA-N 1 1 313.379 1.504 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286412620 408980771 /nfs/dbraw/zinc/98/07/71/408980771.db2.gz AUYSGCATKYGCIS-SECBINFHSA-N 1 1 323.378 1.732 20 5 DDBDMO CC[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C1 ZINC000286423375 408982813 /nfs/dbraw/zinc/98/28/13/408982813.db2.gz REVGZMJSUVXMAB-JTQLQIEISA-N 1 1 317.349 1.774 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292113833 408983796 /nfs/dbraw/zinc/98/37/96/408983796.db2.gz HJPCPPQVOSMFDW-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000277683321 408992045 /nfs/dbraw/zinc/99/20/45/408992045.db2.gz YVQYFMWGTAKHRO-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282271340 409023605 /nfs/dbraw/zinc/02/36/05/409023605.db2.gz HPWSVYHUXSHRAZ-NWANDNLSSA-N 1 1 324.377 1.834 20 5 DDBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000287520080 409049506 /nfs/dbraw/zinc/04/95/06/409049506.db2.gz UYMZFRGXPURROF-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000287520080 409049508 /nfs/dbraw/zinc/04/95/08/409049508.db2.gz UYMZFRGXPURROF-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287604142 409062942 /nfs/dbraw/zinc/06/29/42/409062942.db2.gz YXMGHAMKUVPTFX-VXGBXAGGSA-N 1 1 300.742 1.566 20 5 DDBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000293241508 409073632 /nfs/dbraw/zinc/07/36/32/409073632.db2.gz YYSOWAHRKPNYKB-INIZCTEOSA-N 1 1 323.393 1.487 20 5 DDBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO ZINC000293392835 409103565 /nfs/dbraw/zinc/10/35/65/409103565.db2.gz KVUAASOGJPVKJZ-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO ZINC000293392835 409103568 /nfs/dbraw/zinc/10/35/68/409103568.db2.gz KVUAASOGJPVKJZ-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000278936449 409117093 /nfs/dbraw/zinc/11/70/93/409117093.db2.gz UCIHUUGKAPODCF-HNNXBMFYSA-N 1 1 305.334 1.315 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283556769 409175448 /nfs/dbraw/zinc/17/54/48/409175448.db2.gz UJRWLWHIQMPZKZ-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO CC(C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000283597685 409182559 /nfs/dbraw/zinc/18/25/59/409182559.db2.gz QJSWEKMYLZBQCM-OAHLLOKOSA-N 1 1 308.382 1.946 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294096092 409239721 /nfs/dbraw/zinc/23/97/21/409239721.db2.gz KMHJTBZXUVJSQB-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](C2CC2)C1 ZINC000295255408 409398413 /nfs/dbraw/zinc/39/84/13/409398413.db2.gz FNNBPGDCEZCLCJ-LLVKDONJSA-N 1 1 318.377 1.733 20 5 DDBDMO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290245220 409335134 /nfs/dbraw/zinc/33/51/34/409335134.db2.gz ZNFCFRXEXCGENW-JKOKRWQUSA-N 1 1 323.349 1.234 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000280682782 409409309 /nfs/dbraw/zinc/40/93/09/409409309.db2.gz YWNQNOBQBNATMK-CYBMUJFWSA-N 1 1 321.377 1.740 20 5 DDBDMO COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000321301231 164044123 /nfs/dbraw/zinc/04/41/23/164044123.db2.gz BUPNZLMEKNRQLA-UHFFFAOYSA-N 1 1 323.393 1.933 20 5 DDBDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052868 409660917 /nfs/dbraw/zinc/66/09/17/409660917.db2.gz NHUSBRMWLRWMLF-ZFWWWQNUSA-N 1 1 310.398 1.910 20 5 DDBDMO C[N@@H+](CC[C@H]1CCCO1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602192 409756430 /nfs/dbraw/zinc/75/64/30/409756430.db2.gz LWWGOVZWSFESCM-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000297095855 409802279 /nfs/dbraw/zinc/80/22/79/409802279.db2.gz NAGSEOAHZAAEKP-UHFFFAOYSA-N 1 1 302.334 1.899 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(O)CCOCC1 ZINC000332256082 410016596 /nfs/dbraw/zinc/01/65/96/410016596.db2.gz CSRCSZWNWJRGTM-UHFFFAOYSA-N 1 1 320.349 1.444 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000297843847 410021484 /nfs/dbraw/zinc/02/14/84/410021484.db2.gz KTSKDPHLKCNUDI-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000297843847 410021492 /nfs/dbraw/zinc/02/14/92/410021492.db2.gz KTSKDPHLKCNUDI-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO CCOc1cc(OC[C@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357452061 410049485 /nfs/dbraw/zinc/04/94/85/410049485.db2.gz KVLSWSWFCBFFIU-GFCCVEGCSA-N 1 1 310.350 1.827 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000357552046 410098203 /nfs/dbraw/zinc/09/82/03/410098203.db2.gz VKEFWHLTDGHPRQ-MRVPVSSYSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000357552046 410098209 /nfs/dbraw/zinc/09/82/09/410098209.db2.gz VKEFWHLTDGHPRQ-MRVPVSSYSA-N 1 1 317.305 1.469 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339393321 410154936 /nfs/dbraw/zinc/15/49/36/410154936.db2.gz FOCNWHNXAFSCCW-IRXDYDNUSA-N 1 1 319.405 1.932 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000343226764 410251589 /nfs/dbraw/zinc/25/15/89/410251589.db2.gz CEAPLLBBHBGJPT-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817064 410259440 /nfs/dbraw/zinc/25/94/40/410259440.db2.gz UEMHOAMURUYANV-NRUUGDAUSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817064 410259445 /nfs/dbraw/zinc/25/94/45/410259445.db2.gz UEMHOAMURUYANV-NRUUGDAUSA-N 1 1 323.349 1.243 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351934583 410350817 /nfs/dbraw/zinc/35/08/17/410350817.db2.gz IMWYPIVTIAYWBR-YGRLFVJLSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299085520 410514955 /nfs/dbraw/zinc/51/49/55/410514955.db2.gz YXWZUGSFOVURAF-UHFFFAOYSA-N 1 1 323.397 1.070 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000299216614 410570792 /nfs/dbraw/zinc/57/07/92/410570792.db2.gz HYJXEZFTUZMZGX-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299216614 410570800 /nfs/dbraw/zinc/57/08/00/410570800.db2.gz HYJXEZFTUZMZGX-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+](CCOC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000299133111 410540069 /nfs/dbraw/zinc/54/00/69/410540069.db2.gz MXPWNFLOAIYBLM-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO CC[N@@H+](CCOC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000299133111 410540071 /nfs/dbraw/zinc/54/00/71/410540071.db2.gz MXPWNFLOAIYBLM-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO CC[N@H+](CCOC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000299152996 410546627 /nfs/dbraw/zinc/54/66/27/410546627.db2.gz ZOHMZVKVFWWEAV-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO CC[N@@H+](CCOC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000299152996 410546630 /nfs/dbraw/zinc/54/66/30/410546630.db2.gz ZOHMZVKVFWWEAV-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355748225 410673646 /nfs/dbraw/zinc/67/36/46/410673646.db2.gz QMHGTNZXBQCZOO-LBPRGKRZSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000301446666 410723068 /nfs/dbraw/zinc/72/30/68/410723068.db2.gz RHXRAEZGTPOTBA-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301762962 410790103 /nfs/dbraw/zinc/79/01/03/410790103.db2.gz MQRYOZOFWIIVPM-HNNXBMFYSA-N 1 1 309.366 1.398 20 5 DDBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330581317 410798860 /nfs/dbraw/zinc/79/88/60/410798860.db2.gz JBGSCRZQYMPNPB-NWDGAFQWSA-N 1 1 305.378 1.997 20 5 DDBDMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330586591 410802103 /nfs/dbraw/zinc/80/21/03/410802103.db2.gz LTWHXYXSZQRZMB-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO Cc1nc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000301863268 410816467 /nfs/dbraw/zinc/81/64/67/410816467.db2.gz LVJXVQPFSQPTJQ-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1nc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000301863268 410816472 /nfs/dbraw/zinc/81/64/72/410816472.db2.gz LVJXVQPFSQPTJQ-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000356294373 410950073 /nfs/dbraw/zinc/95/00/73/410950073.db2.gz SJMWREFAEPGLKD-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133178 410981236 /nfs/dbraw/zinc/98/12/36/410981236.db2.gz PVXWHSINWAOKJG-RDBSUJKOSA-N 1 1 324.377 1.427 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360137188 411067696 /nfs/dbraw/zinc/06/76/96/411067696.db2.gz YQXJKAZAERFWMC-GFCCVEGCSA-N 1 1 323.349 1.514 20 5 DDBDMO CNc1nccc(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000579972207 422867200 /nfs/dbraw/zinc/86/72/00/422867200.db2.gz QSQAUFSTHVHJGD-UHFFFAOYSA-N 1 1 321.381 1.636 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000130706632 196103102 /nfs/dbraw/zinc/10/31/02/196103102.db2.gz DPZJWOFTWOVAEM-UHFFFAOYSA-N 1 1 320.353 1.304 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000580346133 422921659 /nfs/dbraw/zinc/92/16/59/422921659.db2.gz XETCAUALIUVEJR-NSHDSACASA-N 1 1 323.328 1.305 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccsc3C2)c1 ZINC000132594135 196268995 /nfs/dbraw/zinc/26/89/95/196268995.db2.gz YVJJYHMUPZPFBU-GFCCVEGCSA-N 1 1 308.363 1.272 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000295331529 224723441 /nfs/dbraw/zinc/72/34/41/224723441.db2.gz XOOGBIHLTJPDND-CQSZACIVSA-N 1 1 311.313 1.134 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccc(F)cc1 ZINC000360898965 418543482 /nfs/dbraw/zinc/54/34/82/418543482.db2.gz ZSEAAYZIKKGCFG-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000291016279 222073867 /nfs/dbraw/zinc/07/38/67/222073867.db2.gz UZRNJANFBAZVFL-LBPRGKRZSA-N 1 1 311.386 1.418 20 5 DDBDMO CCOC1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000367601682 418613765 /nfs/dbraw/zinc/61/37/65/418613765.db2.gz GVZREIODRASKTQ-WLYUNCDWSA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466477 418643525 /nfs/dbraw/zinc/64/35/25/418643525.db2.gz UTCJBFGAKJUZCT-NSHDSACASA-N 1 1 318.337 1.541 20 5 DDBDMO C[C@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1C ZINC000342362610 418627743 /nfs/dbraw/zinc/62/77/43/418627743.db2.gz QRSDBNNVDMDYND-UWVGGRQHSA-N 1 1 317.349 2.138 20 5 DDBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796406 418635719 /nfs/dbraw/zinc/63/57/19/418635719.db2.gz RIMFLMHQOWPCCW-QMTHXVAHSA-N 1 1 308.338 1.103 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000361587998 418687017 /nfs/dbraw/zinc/68/70/17/418687017.db2.gz DBNGDFMBAXEBQE-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000361587998 418687021 /nfs/dbraw/zinc/68/70/21/418687021.db2.gz DBNGDFMBAXEBQE-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000371827899 418820272 /nfs/dbraw/zinc/82/02/72/418820272.db2.gz BCUJNUMRAKMFRF-OAHLLOKOSA-N 1 1 321.377 1.380 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364922471 418822622 /nfs/dbraw/zinc/82/26/22/418822622.db2.gz XPQSYRDAPVZYSX-MNOVXSKESA-N 1 1 319.365 1.271 20 5 DDBDMO CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564748 418877195 /nfs/dbraw/zinc/87/71/95/418877195.db2.gz NQUKJWWCAIJFKQ-ZIAGYGMSSA-N 1 1 303.362 1.290 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372604710 418887035 /nfs/dbraw/zinc/88/70/35/418887035.db2.gz CLCJHQLCKBNRMP-HNNXBMFYSA-N 1 1 319.409 1.595 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372604710 418887037 /nfs/dbraw/zinc/88/70/37/418887037.db2.gz CLCJHQLCKBNRMP-HNNXBMFYSA-N 1 1 319.409 1.595 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365668958 418892658 /nfs/dbraw/zinc/89/26/58/418892658.db2.gz FRJSIHHGNJGEEN-QWHCGFSZSA-N 1 1 319.361 1.496 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000431832375 229061595 /nfs/dbraw/zinc/06/15/95/229061595.db2.gz GASWBTRWRKLIQC-GFCCVEGCSA-N 1 1 319.361 1.635 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299470093 229137581 /nfs/dbraw/zinc/13/75/81/229137581.db2.gz BHEQUHMMTZGVCE-QWHCGFSZSA-N 1 1 321.381 1.233 20 5 DDBDMO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(N)=O ZINC000428855621 419942463 /nfs/dbraw/zinc/94/24/63/419942463.db2.gz HICHYZIFRZTDMR-GWCFXTLKSA-N 1 1 317.349 1.076 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000429164020 419980739 /nfs/dbraw/zinc/98/07/39/419980739.db2.gz BPCXGBOOWMRTGI-UHFFFAOYSA-N 1 1 308.338 1.121 20 5 DDBDMO COCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430206049 420089918 /nfs/dbraw/zinc/08/99/18/420089918.db2.gz VQPXHXBUSQTVJL-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423938220 420276894 /nfs/dbraw/zinc/27/68/94/420276894.db2.gz ISSIYEGDTGPRBE-NSHDSACASA-N 1 1 303.322 1.310 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000420425891 420278443 /nfs/dbraw/zinc/27/84/43/420278443.db2.gz VEDFTIKACUGBCS-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430940742 420217374 /nfs/dbraw/zinc/21/73/74/420217374.db2.gz QVIWFIOZHAPQQT-NWDGAFQWSA-N 1 1 306.366 1.593 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416294084 420309833 /nfs/dbraw/zinc/30/98/33/420309833.db2.gz KOZFTFHJLBULLF-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416294084 420309838 /nfs/dbraw/zinc/30/98/38/420309838.db2.gz KOZFTFHJLBULLF-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449635815 421041430 /nfs/dbraw/zinc/04/14/30/421041430.db2.gz CHSPHBDNIFPSKI-VHSXEESVSA-N 1 1 317.349 1.718 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456007489 421088466 /nfs/dbraw/zinc/08/84/66/421088466.db2.gz DFDXNKVKXWDYFQ-UWVGGRQHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456007489 421088469 /nfs/dbraw/zinc/08/84/69/421088469.db2.gz DFDXNKVKXWDYFQ-UWVGGRQHSA-N 1 1 307.354 1.196 20 5 DDBDMO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1C ZINC000489039667 421132905 /nfs/dbraw/zinc/13/29/05/421132905.db2.gz JXDBVKDWMRBVKQ-UHFFFAOYSA-N 1 1 304.354 1.670 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525291526 421285310 /nfs/dbraw/zinc/28/53/10/421285310.db2.gz IIPWSALUPBIWIJ-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO Cn1nccc1[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873869 421464143 /nfs/dbraw/zinc/46/41/43/421464143.db2.gz YYGNUXSJHKYICJ-OLZOCXBDSA-N 1 1 302.334 1.639 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225690 421535011 /nfs/dbraw/zinc/53/50/11/421535011.db2.gz ATCQPMDXXIVKGQ-OCCSQVGLSA-N 1 1 321.377 1.535 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000522167987 421818006 /nfs/dbraw/zinc/81/80/06/421818006.db2.gz QVUZWHFGTSRPCU-GFCCVEGCSA-N 1 1 306.366 1.758 20 5 DDBDMO CNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000314828410 271014116 /nfs/dbraw/zinc/01/41/16/271014116.db2.gz FPZUMGHRGAJKMC-LBPRGKRZSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126181 /nfs/dbraw/zinc/12/61/81/271126181.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 1 1 322.409 1.561 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000341776957 271209706 /nfs/dbraw/zinc/20/97/06/271209706.db2.gz OHZWGOQWANFPEE-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409784 272017263 /nfs/dbraw/zinc/01/72/63/272017263.db2.gz AMZHUCPXHGRYQC-HNNXBMFYSA-N 1 1 319.409 1.596 20 5 DDBDMO Nc1c(F)c(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000290991065 274964256 /nfs/dbraw/zinc/96/42/56/274964256.db2.gz TXYNBYUPEHECKU-UHFFFAOYSA-N 1 1 306.301 1.366 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000273152705 276381210 /nfs/dbraw/zinc/38/12/10/276381210.db2.gz IGQHTGFELDVGAI-STQMWFEESA-N 1 1 323.393 1.885 20 5 DDBDMO COC(=O)C1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000451051293 277308819 /nfs/dbraw/zinc/30/88/19/277308819.db2.gz UJRDSNQJDRQZHQ-UHFFFAOYSA-N 1 1 306.318 1.742 20 5 DDBDMO COC(=O)C1(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000451051293 277308821 /nfs/dbraw/zinc/30/88/21/277308821.db2.gz UJRDSNQJDRQZHQ-UHFFFAOYSA-N 1 1 306.318 1.742 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332584814 279318684 /nfs/dbraw/zinc/31/86/84/279318684.db2.gz IAQOHTLHEPBUQT-GFCCVEGCSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332584814 279318686 /nfs/dbraw/zinc/31/86/86/279318686.db2.gz IAQOHTLHEPBUQT-GFCCVEGCSA-N 1 1 306.366 1.069 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000123968596 281181616 /nfs/dbraw/zinc/18/16/16/281181616.db2.gz CGFLHCXKGLMGIW-QWRGUYRKSA-N 1 1 313.379 1.274 20 5 DDBDMO Cc1cccc(NCCNC(=O)CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000126121286 281227136 /nfs/dbraw/zinc/22/71/36/281227136.db2.gz RXQOQAXKPBNBSH-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000107043106 281261358 /nfs/dbraw/zinc/26/13/58/281261358.db2.gz RWWHFUCXUNISPY-GFCCVEGCSA-N 1 1 309.366 1.933 20 5 DDBDMO COc1cccc(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302570132 295305663 /nfs/dbraw/zinc/30/56/63/295305663.db2.gz YQKVHBVYVMOYJV-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000363170891 300225886 /nfs/dbraw/zinc/22/58/86/300225886.db2.gz PGSSJMWTZHYTPP-OAHLLOKOSA-N 1 1 302.334 1.945 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000368412119 301022468 /nfs/dbraw/zinc/02/24/68/301022468.db2.gz RCNQNIBISWBXIF-CYBMUJFWSA-N 1 1 303.322 1.512 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC23CCOCC3)c1 ZINC000368893132 301102546 /nfs/dbraw/zinc/10/25/46/301102546.db2.gz AQHOFBBJLJFWFB-CQSZACIVSA-N 1 1 322.361 1.589 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368950328 301108993 /nfs/dbraw/zinc/10/89/93/301108993.db2.gz MEDIJGQWJUOIKM-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO COC(=O)c1ccc(OCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000412989837 302376764 /nfs/dbraw/zinc/37/67/64/302376764.db2.gz OGVLPLBKNHWYBE-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO COC(=O)c1ccc(OCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000412989837 302376767 /nfs/dbraw/zinc/37/67/67/302376767.db2.gz OGVLPLBKNHWYBE-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000531726630 303253185 /nfs/dbraw/zinc/25/31/85/303253185.db2.gz QXIZQSMBMSFAAQ-DGCLKSJQSA-N 1 1 306.366 1.490 20 5 DDBDMO CN(C)C(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000533523384 303320142 /nfs/dbraw/zinc/32/01/42/303320142.db2.gz FGTVJESJVDVNNT-UHFFFAOYSA-N 1 1 323.349 1.418 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000533539687 303320436 /nfs/dbraw/zinc/32/04/36/303320436.db2.gz GTLRIYNNDSIICG-GZBFAFLISA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1ccnc(N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000363917263 307037606 /nfs/dbraw/zinc/03/76/06/307037606.db2.gz FHWNRRSFEBBZOF-GFCCVEGCSA-N 1 1 308.407 1.926 20 5 DDBDMO CCn1nccc1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367254243 307089857 /nfs/dbraw/zinc/08/98/57/307089857.db2.gz WALWFYGIZUNUBV-AWEZNQCLSA-N 1 1 318.381 1.887 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000368572164 307105594 /nfs/dbraw/zinc/10/55/94/307105594.db2.gz GFKZPIUPSHKIQD-GFCCVEGCSA-N 1 1 307.350 1.691 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CN1 ZINC000369483080 307121326 /nfs/dbraw/zinc/12/13/26/307121326.db2.gz GDKYUPSPEKDYBW-AWEZNQCLSA-N 1 1 320.305 1.215 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CN1 ZINC000369483080 307121327 /nfs/dbraw/zinc/12/13/27/307121327.db2.gz GDKYUPSPEKDYBW-AWEZNQCLSA-N 1 1 320.305 1.215 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372297512 307167915 /nfs/dbraw/zinc/16/79/15/307167915.db2.gz VKEVZPPGVCPWTH-CYBMUJFWSA-N 1 1 305.334 1.380 20 5 DDBDMO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330450 307168151 /nfs/dbraw/zinc/16/81/51/307168151.db2.gz KZWUTCHFJKLOHJ-YNEHKIRRSA-N 1 1 323.397 1.731 20 5 DDBDMO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330450 307168152 /nfs/dbraw/zinc/16/81/52/307168152.db2.gz KZWUTCHFJKLOHJ-YNEHKIRRSA-N 1 1 323.397 1.731 20 5 DDBDMO Cc1[nH+]c(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c2n1CCCC2 ZINC000378311003 307285337 /nfs/dbraw/zinc/28/53/37/307285337.db2.gz PQTRRNYXXZFIBH-UHFFFAOYSA-N 1 1 304.310 1.089 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000510122546 307398799 /nfs/dbraw/zinc/39/87/99/307398799.db2.gz YGYYFUSYZRVEEK-NFAWXSAZSA-N 1 1 310.350 1.444 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000510122545 307398836 /nfs/dbraw/zinc/39/88/36/307398836.db2.gz YGYYFUSYZRVEEK-KCQAQPDRSA-N 1 1 310.350 1.444 20 5 DDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncccn2)n1 ZINC000580661003 308621810 /nfs/dbraw/zinc/62/18/10/308621810.db2.gz ZPSQVWMXBWWMEI-RYUDHWBXSA-N 1 1 302.338 1.855 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000584451939 337341475 /nfs/dbraw/zinc/34/14/75/337341475.db2.gz HMMGGYBVYLCLSK-CMPLNLGQSA-N 1 1 305.334 1.380 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000584662970 337378524 /nfs/dbraw/zinc/37/85/24/337378524.db2.gz QCNCZJIOUFOQMK-OAHLLOKOSA-N 1 1 305.334 1.458 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000584662970 337378525 /nfs/dbraw/zinc/37/85/25/337378525.db2.gz QCNCZJIOUFOQMK-OAHLLOKOSA-N 1 1 305.334 1.458 20 5 DDBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccnc1 ZINC000182887114 490689003 /nfs/dbraw/zinc/68/90/03/490689003.db2.gz WQJWQCDDPWROEW-JTQLQIEISA-N 1 1 300.318 1.940 20 5 DDBDMO C[C@@H]([N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)O ZINC000295148816 534284531 /nfs/dbraw/zinc/28/45/31/534284531.db2.gz LUOYGPBOOBDDFG-LLVKDONJSA-N 1 1 321.377 1.575 20 5 DDBDMO Cc1ccnc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301244341 534401758 /nfs/dbraw/zinc/40/17/58/534401758.db2.gz ACKJJHHQAOAWTR-LBPRGKRZSA-N 1 1 321.381 1.298 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154597721 527024942 /nfs/dbraw/zinc/02/49/42/527024942.db2.gz IDWQGOLMSMBWTE-NSHDSACASA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000154597721 527024945 /nfs/dbraw/zinc/02/49/45/527024945.db2.gz IDWQGOLMSMBWTE-NSHDSACASA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000154597721 527024949 /nfs/dbraw/zinc/02/49/49/527024949.db2.gz IDWQGOLMSMBWTE-NSHDSACASA-N 1 1 321.381 1.845 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425061080 528544471 /nfs/dbraw/zinc/54/44/71/528544471.db2.gz XWYHJDRSEWJRDU-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425061080 528544477 /nfs/dbraw/zinc/54/44/77/528544477.db2.gz XWYHJDRSEWJRDU-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425061080 528544484 /nfs/dbraw/zinc/54/44/84/528544484.db2.gz XWYHJDRSEWJRDU-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000102653121 696611095 /nfs/dbraw/zinc/61/10/95/696611095.db2.gz PJZDNQWIHOWYCO-SECBINFHSA-N 1 1 310.354 1.639 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000102653121 696611097 /nfs/dbraw/zinc/61/10/97/696611097.db2.gz PJZDNQWIHOWYCO-SECBINFHSA-N 1 1 310.354 1.639 20 5 DDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[NH+]1CCOCC1)CC2 ZINC000773989786 697831306 /nfs/dbraw/zinc/83/13/06/697831306.db2.gz YIQQYIVKZPCTHA-UHFFFAOYSA-N 1 1 319.361 1.515 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000776585045 698122151 /nfs/dbraw/zinc/12/21/51/698122151.db2.gz RQPJJGMQMHEHPO-HUUCEWRRSA-N 1 1 310.350 1.102 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053815 700201392 /nfs/dbraw/zinc/20/13/92/700201392.db2.gz UPLYFANXJRGWGU-GXTWGEPZSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000778295530 698258177 /nfs/dbraw/zinc/25/81/77/698258177.db2.gz QRBZYAUOVZVNFY-DDTOSNHZSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000778295530 698258179 /nfs/dbraw/zinc/25/81/79/698258179.db2.gz QRBZYAUOVZVNFY-DDTOSNHZSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000782525592 698734423 /nfs/dbraw/zinc/73/44/23/698734423.db2.gz YPTXGEYFYZZIBP-NSHDSACASA-N 1 1 324.356 1.698 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000782525592 698734425 /nfs/dbraw/zinc/73/44/25/698734425.db2.gz YPTXGEYFYZZIBP-NSHDSACASA-N 1 1 324.356 1.698 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000782525592 698734428 /nfs/dbraw/zinc/73/44/28/698734428.db2.gz YPTXGEYFYZZIBP-NSHDSACASA-N 1 1 324.356 1.698 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455910 699529142 /nfs/dbraw/zinc/52/91/42/699529142.db2.gz XGRXQMVBAAUZTA-JSGCOSHPSA-N 1 1 323.324 1.327 20 5 DDBDMO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742197911 699866158 /nfs/dbraw/zinc/86/61/58/699866158.db2.gz WKXWVRDCCOJQCZ-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742197911 699866160 /nfs/dbraw/zinc/86/61/60/699866160.db2.gz WKXWVRDCCOJQCZ-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801911959 700352657 /nfs/dbraw/zinc/35/26/57/700352657.db2.gz WNCUUOLZMFWUOS-RKDXNWHRSA-N 1 1 310.329 1.529 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)C3CC3)n2)cc1 ZINC000763088153 700925111 /nfs/dbraw/zinc/92/51/11/700925111.db2.gz WJAXVAVMPUOVSL-GFCCVEGCSA-N 1 1 304.306 1.505 20 5 DDBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839528159 701725289 /nfs/dbraw/zinc/72/52/89/701725289.db2.gz IOUCINADZOZACT-HUUCEWRRSA-N 1 1 305.378 1.808 20 5 DDBDMO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839528159 701725295 /nfs/dbraw/zinc/72/52/95/701725295.db2.gz IOUCINADZOZACT-HUUCEWRRSA-N 1 1 305.378 1.808 20 5 DDBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839528159 701725301 /nfs/dbraw/zinc/72/53/01/701725301.db2.gz IOUCINADZOZACT-HUUCEWRRSA-N 1 1 305.378 1.808 20 5 DDBDMO COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839734232 701802881 /nfs/dbraw/zinc/80/28/81/701802881.db2.gz QOJQGVLSYCKVFV-HUUCEWRRSA-N 1 1 321.377 1.251 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000868519334 702173865 /nfs/dbraw/zinc/17/38/65/702173865.db2.gz AOSYIMLSSGVSQW-YPMHNXCESA-N 1 1 307.325 1.439 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842836508 702781895 /nfs/dbraw/zinc/78/18/95/702781895.db2.gz PIFGPKWUFLLINP-GFCCVEGCSA-N 1 1 310.354 1.455 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c1[N+](=O)[O-] ZINC000852094779 703921676 /nfs/dbraw/zinc/92/16/76/703921676.db2.gz OUWJPJQSZUPNEF-JTQLQIEISA-N 1 1 310.310 1.165 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1[N+](=O)[O-] ZINC000852094779 703921678 /nfs/dbraw/zinc/92/16/78/703921678.db2.gz OUWJPJQSZUPNEF-JTQLQIEISA-N 1 1 310.310 1.165 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410510 704036704 /nfs/dbraw/zinc/03/67/04/704036704.db2.gz CDPYSWPJECBZCH-LSDHHAIUSA-N 1 1 310.350 1.102 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412706 704037817 /nfs/dbraw/zinc/03/78/17/704037817.db2.gz YDVZQMQTBDHKNW-LSDHHAIUSA-N 1 1 310.350 1.102 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CCC1(C)C ZINC000871157159 704233907 /nfs/dbraw/zinc/23/39/07/704233907.db2.gz VGEFGTOTQRVBKW-UHFFFAOYSA-N 1 1 324.356 1.872 20 5 DDBDMO Nc1n[nH]c(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000821270129 704384753 /nfs/dbraw/zinc/38/47/53/704384753.db2.gz JJCQIOCMGJRWQO-UHFFFAOYSA-N 1 1 320.328 1.814 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874848150 705201131 /nfs/dbraw/zinc/20/11/31/705201131.db2.gz RUWYMZWEGNRLQP-UONOGXRCSA-N 1 1 304.350 1.607 20 5 DDBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000823920840 705339843 /nfs/dbraw/zinc/33/98/43/705339843.db2.gz FKVXQOOPXLXMJN-LLVKDONJSA-N 1 1 307.354 1.735 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794747 705800364 /nfs/dbraw/zinc/80/03/64/705800364.db2.gz HARPOQYTXYZJGK-DOMZBBRYSA-N 1 1 321.377 1.476 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000827269712 705964909 /nfs/dbraw/zinc/96/49/09/705964909.db2.gz ZCDXABHKJXFDJJ-NOZJJQNGSA-N 1 1 322.340 1.482 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626288 706039597 /nfs/dbraw/zinc/03/95/97/706039597.db2.gz VHAHOYQPYMMQOU-SOUVJXGZSA-N 1 1 303.362 1.909 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(CO)CC2)c(Cl)c1 ZINC000877798324 706219420 /nfs/dbraw/zinc/21/94/20/706219420.db2.gz NEAZTBHRQKKOQO-UHFFFAOYSA-N 1 1 314.769 1.815 20 5 DDBDMO CCN1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000877830224 706226500 /nfs/dbraw/zinc/22/65/00/706226500.db2.gz FHFGBSAYOQCUCT-HZPDHXFCSA-N 1 1 323.393 1.063 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829328399 706319895 /nfs/dbraw/zinc/31/98/95/706319895.db2.gz VALNMTDPNIBQGK-OAHLLOKOSA-N 1 1 319.361 1.396 20 5 DDBDMO COC(=O)CC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880040604 706860763 /nfs/dbraw/zinc/86/07/63/706860763.db2.gz YFRYXCROOCPXCE-GFCCVEGCSA-N 1 1 310.354 1.457 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000927147328 712947051 /nfs/dbraw/zinc/94/70/51/712947051.db2.gz KQRHMNTXMFXBEY-WHOFXGATSA-N 1 1 316.361 1.778 20 5 DDBDMO O=CN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000839017788 708015942 /nfs/dbraw/zinc/01/59/42/708015942.db2.gz DEEUMHTVZUFSJL-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000883539953 708024020 /nfs/dbraw/zinc/02/40/20/708024020.db2.gz ONCIZJKDBJECIP-CQSZACIVSA-N 1 1 306.366 1.531 20 5 DDBDMO COC(=O)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000886012463 708681728 /nfs/dbraw/zinc/68/17/28/708681728.db2.gz ILTNJUOTHNWZBC-ZDUSSCGKSA-N 1 1 323.349 1.534 20 5 DDBDMO COC(=O)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000886012463 708681729 /nfs/dbraw/zinc/68/17/29/708681729.db2.gz ILTNJUOTHNWZBC-ZDUSSCGKSA-N 1 1 323.349 1.534 20 5 DDBDMO O=C([C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886205824 708714535 /nfs/dbraw/zinc/71/45/35/708714535.db2.gz AAIGAXMQZXMEET-ZDUSSCGKSA-N 1 1 304.350 1.434 20 5 DDBDMO COC(=O)N[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000886863468 708869823 /nfs/dbraw/zinc/86/98/23/708869823.db2.gz GSOLTOGNYGSXRX-NSHDSACASA-N 1 1 309.322 1.404 20 5 DDBDMO COC(=O)N[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000886863468 708869826 /nfs/dbraw/zinc/86/98/26/708869826.db2.gz GSOLTOGNYGSXRX-NSHDSACASA-N 1 1 309.322 1.404 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889780164 709631550 /nfs/dbraw/zinc/63/15/50/709631550.db2.gz IPIMDYMXYREFAD-GJZGRUSLSA-N 1 1 319.361 1.266 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000928438772 713196127 /nfs/dbraw/zinc/19/61/27/713196127.db2.gz GVCNLTZQIVFTAR-ZYHUDNBSSA-N 1 1 307.350 1.734 20 5 DDBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928442799 713198026 /nfs/dbraw/zinc/19/80/26/713198026.db2.gz CFFOFIPZLTVHGL-CMPLNLGQSA-N 1 1 323.349 1.191 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457580 713205497 /nfs/dbraw/zinc/20/54/97/713205497.db2.gz XJIMFBWRCBCTSG-ONGXEEELSA-N 1 1 323.349 1.434 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]CCC12CCOCC2 ZINC000903818377 711290914 /nfs/dbraw/zinc/29/09/14/711290914.db2.gz JIIJSBRHQZLGDJ-UHFFFAOYSA-N 1 1 321.377 1.645 20 5 DDBDMO C[C@@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895737552 711590635 /nfs/dbraw/zinc/59/06/35/711590635.db2.gz BJCXSFDWTZCKML-PWSUYJOCSA-N 1 1 316.361 1.951 20 5 DDBDMO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000895737462 711590931 /nfs/dbraw/zinc/59/09/31/711590931.db2.gz VRHXZQUCZAELLD-ZJUUUORDSA-N 1 1 319.365 1.290 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000895771349 711602026 /nfs/dbraw/zinc/60/20/26/711602026.db2.gz YXDHAYSALHHMNH-LLVKDONJSA-N 1 1 324.356 1.687 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000895771349 711602029 /nfs/dbraw/zinc/60/20/29/711602029.db2.gz YXDHAYSALHHMNH-LLVKDONJSA-N 1 1 324.356 1.687 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000895773839 711603171 /nfs/dbraw/zinc/60/31/71/711603171.db2.gz UXBKQLLVZODBKP-NSHDSACASA-N 1 1 311.363 1.041 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579332 711757527 /nfs/dbraw/zinc/75/75/27/711757527.db2.gz FQBXIXPPYJPYNC-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580799 711757960 /nfs/dbraw/zinc/75/79/60/711757960.db2.gz IYKJTLDPURECNG-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000905032402 711913805 /nfs/dbraw/zinc/91/38/05/711913805.db2.gz KJWDZUOZNNGBKU-UHFFFAOYSA-N 1 1 306.366 1.335 20 5 DDBDMO C[N@@H+](Cc1cn(CCn2ccc([N+](=O)[O-])n2)nn1)C(C)(C)C ZINC000905799371 712148734 /nfs/dbraw/zinc/14/87/34/712148734.db2.gz OXVNIYYXGYWFPH-UHFFFAOYSA-N 1 1 307.358 1.313 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000908278936 712727118 /nfs/dbraw/zinc/72/71/18/712727118.db2.gz IBQOEAOYVDFRHR-AWEZNQCLSA-N 1 1 323.349 1.653 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000908278936 712727119 /nfs/dbraw/zinc/72/71/19/712727119.db2.gz IBQOEAOYVDFRHR-AWEZNQCLSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cccc([C@H]2[C@H](NCC[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000930353776 713812003 /nfs/dbraw/zinc/81/20/03/713812003.db2.gz KGWLYTVHIBTOOE-CVEARBPZSA-N 1 1 305.378 1.839 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932514185 714351949 /nfs/dbraw/zinc/35/19/49/714351949.db2.gz OGBLDYKTRUTZGI-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933740179 714659877 /nfs/dbraw/zinc/65/98/77/714659877.db2.gz LDPUGJPNBVPCGF-CJNGLKHVSA-N 1 1 318.377 1.077 20 5 DDBDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989607 714718001 /nfs/dbraw/zinc/71/80/01/714718001.db2.gz SSJCOIXUVJNSLS-DTWKUNHWSA-N 1 1 313.741 1.043 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Cc3nccs3)C2)n1 ZINC000934335271 714797821 /nfs/dbraw/zinc/79/78/21/714797821.db2.gz ZRWIMXSLZADQFF-NSHDSACASA-N 1 1 307.379 1.812 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000935169266 714994006 /nfs/dbraw/zinc/99/40/06/714994006.db2.gz YWZQJRPKMBNCBK-QWRGUYRKSA-N 1 1 309.370 1.041 20 5 DDBDMO Cc1cc(Cl)nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164665839 719385031 /nfs/dbraw/zinc/38/50/31/719385031.db2.gz IWTBKWUDDFDAPD-UWVGGRQHSA-N 1 1 312.757 1.471 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000347409213 719474517 /nfs/dbraw/zinc/47/45/17/719474517.db2.gz GYAWUDBSYJFAFF-STQMWFEESA-N 1 1 315.333 1.057 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC001120921982 782236873 /nfs/dbraw/zinc/23/68/73/782236873.db2.gz FZYWWZUJUTUFHW-DCAQKATOSA-N 1 1 302.338 1.390 20 5 DDBDMO O=C(NCC[NH2+]CCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936222 742829945 /nfs/dbraw/zinc/82/99/45/742829945.db2.gz BKXAVKNKYNXMCL-CHWSQXEVSA-N 1 1 311.769 1.254 20 5 DDBDMO O=C(NCC[NH2+]C/C=C\c1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936864 742854041 /nfs/dbraw/zinc/85/40/41/742854041.db2.gz VFPSMGCVZWVGCT-KOMGFDSOSA-N 1 1 323.780 1.724 20 5 DDBDMO C[N@@H+]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001195642404 746663268 /nfs/dbraw/zinc/66/32/68/746663268.db2.gz IQPRANDFWCDIOR-GFCCVEGCSA-N 1 1 313.379 1.213 20 5 DDBDMO C[N@H+]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001195642404 746663271 /nfs/dbraw/zinc/66/32/71/746663271.db2.gz IQPRANDFWCDIOR-GFCCVEGCSA-N 1 1 313.379 1.213 20 5 DDBDMO NC(=O)COC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001116222872 752146590 /nfs/dbraw/zinc/14/65/90/752146590.db2.gz FFWBATFVQTUJNN-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197295835 747123288 /nfs/dbraw/zinc/12/32/88/747123288.db2.gz INRIEEHDIKZKRZ-JTQLQIEISA-N 1 1 304.310 1.106 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001197295835 747123293 /nfs/dbraw/zinc/12/32/93/747123293.db2.gz INRIEEHDIKZKRZ-JTQLQIEISA-N 1 1 304.310 1.106 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036159 762191888 /nfs/dbraw/zinc/19/18/88/762191888.db2.gz NGALCJUFXDFBQD-KGLIPLIRSA-N 1 1 305.382 1.434 20 5 DDBDMO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026253 762203225 /nfs/dbraw/zinc/20/32/25/762203225.db2.gz WOEASBNNHKOJIK-RXFTYZNJSA-N 1 1 307.394 1.519 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3cnccn3)C2)C1 ZINC001169053889 762208862 /nfs/dbraw/zinc/20/88/62/762208862.db2.gz JYLIBIAEYKRAEZ-RDBSUJKOSA-N 1 1 306.366 1.765 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000823484732 758319771 /nfs/dbraw/zinc/31/97/71/758319771.db2.gz SFZZBUBMNIXGRJ-GASCZTMLSA-N 1 1 321.381 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000823484732 758319780 /nfs/dbraw/zinc/31/97/80/758319780.db2.gz SFZZBUBMNIXGRJ-GASCZTMLSA-N 1 1 321.381 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000823484732 758319791 /nfs/dbraw/zinc/31/97/91/758319791.db2.gz SFZZBUBMNIXGRJ-GASCZTMLSA-N 1 1 321.381 1.294 20 5 DDBDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020139321 760613801 /nfs/dbraw/zinc/61/38/01/760613801.db2.gz XKHQPPYEWWEVAF-QHSBEEBCSA-N 1 1 319.361 1.097 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109463753 763731582 /nfs/dbraw/zinc/73/15/82/763731582.db2.gz WFMHIXZLICELPG-UHFFFAOYSA-N 1 1 323.397 1.590 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097053681 771600098 /nfs/dbraw/zinc/60/00/98/771600098.db2.gz XAYLIBCXLWURNG-HDJSIYSDSA-N 1 1 320.393 1.996 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001148630382 773559009 /nfs/dbraw/zinc/55/90/09/773559009.db2.gz JNJFYFCQDHFHNK-UHFFFAOYSA-N 1 1 317.777 1.822 20 5 DDBDMO Cc1cnc(NCCCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001094456391 775895758 /nfs/dbraw/zinc/89/57/58/775895758.db2.gz DPQSKAYBXNYFEP-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101705723 777415680 /nfs/dbraw/zinc/41/56/80/777415680.db2.gz UDTJEBZXMXEPID-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO COC(=O)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001116072741 780472395 /nfs/dbraw/zinc/47/23/95/780472395.db2.gz KOBAUEVUXAOBOP-UHFFFAOYSA-N 1 1 307.350 1.911 20 5 DDBDMO CS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150366 780479595 /nfs/dbraw/zinc/47/95/95/780479595.db2.gz NSIRQVHNMORPOP-CYZMBNFOSA-N 1 1 314.411 1.368 20 5 DDBDMO C[C@@](O)(C[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307066 781400846 /nfs/dbraw/zinc/40/08/46/781400846.db2.gz ZOSCEALOKGQACL-IAGOWNOFSA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@@](O)(C[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307066 781400853 /nfs/dbraw/zinc/40/08/53/781400853.db2.gz ZOSCEALOKGQACL-IAGOWNOFSA-N 1 1 320.389 1.865 20 5 DDBDMO C[N@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194116 837510717 /nfs/dbraw/zinc/51/07/17/837510717.db2.gz IYRBDORYQRGVDO-IBBQAADRSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194116 837510725 /nfs/dbraw/zinc/51/07/25/837510725.db2.gz IYRBDORYQRGVDO-IBBQAADRSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@H+](CC/C=C/c1ccccc1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194116 837510735 /nfs/dbraw/zinc/51/07/35/837510735.db2.gz IYRBDORYQRGVDO-IBBQAADRSA-N 1 1 317.389 1.803 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001266390791 836197217 /nfs/dbraw/zinc/19/72/17/836197217.db2.gz MHEICKQTSVYODW-HUUCEWRRSA-N 1 1 323.368 1.737 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001266390791 836197220 /nfs/dbraw/zinc/19/72/20/836197220.db2.gz MHEICKQTSVYODW-HUUCEWRRSA-N 1 1 323.368 1.737 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001266390791 836197225 /nfs/dbraw/zinc/19/72/25/836197225.db2.gz MHEICKQTSVYODW-HUUCEWRRSA-N 1 1 323.368 1.737 20 5 DDBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)O ZINC001268236237 839872768 /nfs/dbraw/zinc/87/27/68/839872768.db2.gz UGUGKZXJDQHUJN-UHFFFAOYSA-N 1 1 323.393 1.646 20 5 DDBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)O ZINC001268236237 839872770 /nfs/dbraw/zinc/87/27/70/839872770.db2.gz UGUGKZXJDQHUJN-UHFFFAOYSA-N 1 1 323.393 1.646 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc(Cl)nc(C)c2[N+](=O)[O-])C1 ZINC001227341400 843479597 /nfs/dbraw/zinc/47/95/97/843479597.db2.gz XDFARSXGYMCMNF-SECBINFHSA-N 1 1 316.745 1.446 20 5 DDBDMO O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001272727332 846727670 /nfs/dbraw/zinc/72/76/70/846727670.db2.gz UZWDQOKMRIWLMH-KBUPBQIOSA-N 1 1 309.410 1.716 20 5 DDBDMO [NH3+]Cc1ncn(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)n1 ZINC001168753555 848015126 /nfs/dbraw/zinc/01/51/26/848015126.db2.gz DXLPPLSDMWYMJL-UHFFFAOYSA-N 1 1 303.200 1.533 20 5 DDBDMO CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273374153 849730243 /nfs/dbraw/zinc/73/02/43/849730243.db2.gz GNAQDPJRXHPLBT-HZPDHXFCSA-N 1 1 319.405 1.641 20 5 DDBDMO CC[C@@H]1[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021510 850518065 /nfs/dbraw/zinc/51/80/65/850518065.db2.gz LGKQCJPNRMFIDS-FQLMCAECSA-N 1 1 309.410 1.955 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001123318760 859173261 /nfs/dbraw/zinc/17/32/61/859173261.db2.gz SGLIXIFVRFAHAZ-SMDDNHRTSA-N 1 1 321.381 1.351 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001142515875 861171240 /nfs/dbraw/zinc/17/12/40/861171240.db2.gz BMRLKZJIFURTIE-GFCCVEGCSA-N 1 1 306.366 1.760 20 5 DDBDMO COc1nc(NCC[C@@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162808975 867840197 /nfs/dbraw/zinc/84/01/97/867840197.db2.gz ZPZYKNNTRBBRTC-QMMMGPOBSA-N 1 1 317.296 1.440 20 5 DDBDMO NC(=O)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336722627 869109033 /nfs/dbraw/zinc/10/90/33/869109033.db2.gz LDSOAJAYSIVSNB-CABCVRRESA-N 1 1 315.329 1.444 20 5 DDBDMO CC(C)[N@@H+](CCO)CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC001337970196 869722842 /nfs/dbraw/zinc/72/28/42/869722842.db2.gz HGQPHBZLQCANQO-UHFFFAOYSA-N 1 1 323.397 1.304 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339153803 870375097 /nfs/dbraw/zinc/37/50/97/870375097.db2.gz YQPGEOSSTIAXNR-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC001353381038 877291523 /nfs/dbraw/zinc/29/15/23/877291523.db2.gz VCZPPKUIGIVHSD-OUCADQQQSA-N 1 1 321.352 1.733 20 5 DDBDMO COc1ccc(CO[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001223513783 880987424 /nfs/dbraw/zinc/98/74/24/880987424.db2.gz HXVYBNHIOYXQLU-GFCCVEGCSA-N 1 1 310.350 1.841 20 5 DDBDMO COC(=O)[C@H](OC[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647075 881042576 /nfs/dbraw/zinc/04/25/76/881042576.db2.gz IXRPVYXXCFOALR-BXUZGUMPSA-N 1 1 324.333 1.156 20 5 DDBDMO COC(=O)[C@H](OC[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647075 881042591 /nfs/dbraw/zinc/04/25/91/881042591.db2.gz IXRPVYXXCFOALR-BXUZGUMPSA-N 1 1 324.333 1.156 20 5 DDBDMO CN1CCc2c(cccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001234419689 887955563 /nfs/dbraw/zinc/95/55/63/887955563.db2.gz COSQHWANAWKAHO-CQSZACIVSA-N 1 1 307.414 1.037 20 5 DDBDMO CC(C)OCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235097869 888409362 /nfs/dbraw/zinc/40/93/62/888409362.db2.gz DBOBDQFSBXDIQZ-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001254553084 896497969 /nfs/dbraw/zinc/49/79/69/896497969.db2.gz RWVQEIUHSFCQJW-BLLLJJGKSA-N 1 1 303.362 1.738 20 5 DDBDMO Cc1ccncc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814759 904075421 /nfs/dbraw/zinc/07/54/21/904075421.db2.gz SBILOZSDEUMDFU-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO Cc1ccncc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280814759 904075439 /nfs/dbraw/zinc/07/54/39/904075439.db2.gz SBILOZSDEUMDFU-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO Cc1ccncc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280814759 904075451 /nfs/dbraw/zinc/07/54/51/904075451.db2.gz SBILOZSDEUMDFU-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000449696252 230634076 /nfs/dbraw/zinc/63/40/76/230634076.db2.gz KCALNIBYFNQFIW-OAHLLOKOSA-N 1 1 310.350 1.434 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000248915823 282117516 /nfs/dbraw/zinc/11/75/16/282117516.db2.gz JUXRGGWZYHVNBA-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000278560181 214237722 /nfs/dbraw/zinc/23/77/22/214237722.db2.gz JIJMFBHDEKWALA-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO C[N@@H+](CCCCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000278728456 214359486 /nfs/dbraw/zinc/35/94/86/214359486.db2.gz AQCOEQJYWBOFAF-AWEZNQCLSA-N 1 1 312.366 1.429 20 5 DDBDMO CO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451565642 231126522 /nfs/dbraw/zinc/12/65/22/231126522.db2.gz LMYGYWPNHWHDKR-DOMZBBRYSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451565642 231126524 /nfs/dbraw/zinc/12/65/24/231126524.db2.gz LMYGYWPNHWHDKR-DOMZBBRYSA-N 1 1 321.377 1.914 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425054901 529822662 /nfs/dbraw/zinc/82/26/62/529822662.db2.gz FWSLFWCRJBETSP-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299296219 529903410 /nfs/dbraw/zinc/90/34/10/529903410.db2.gz RPOJOBLIWSOLPX-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889533 232139783 /nfs/dbraw/zinc/13/97/83/232139783.db2.gz BJXQGIRQTPTWCZ-GXFFZTMASA-N 1 1 323.397 1.397 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CC1 ZINC000272609233 210008763 /nfs/dbraw/zinc/00/87/63/210008763.db2.gz WLCRWKONJCWMRM-UHFFFAOYSA-N 1 1 321.362 1.424 20 5 DDBDMO C[N@@H+](CCCCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279795926 215152842 /nfs/dbraw/zinc/15/28/42/215152842.db2.gz WCKFUWJLFUJYQA-CYBMUJFWSA-N 1 1 312.366 1.429 20 5 DDBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000358458809 299159014 /nfs/dbraw/zinc/15/90/14/299159014.db2.gz CJAGPNDINHXRHK-OAHLLOKOSA-N 1 1 303.362 1.832 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000287100141 219313171 /nfs/dbraw/zinc/31/31/71/219313171.db2.gz LIENOEOBFRFOQW-PWSUYJOCSA-N 1 1 321.381 1.579 20 5 DDBDMO C[C@@H]1OCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000182026197 199376294 /nfs/dbraw/zinc/37/62/94/199376294.db2.gz MCVMPSLBXVRTED-AVGNSLFASA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1OCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000182026197 199376295 /nfs/dbraw/zinc/37/62/95/199376295.db2.gz MCVMPSLBXVRTED-AVGNSLFASA-N 1 1 310.350 1.444 20 5 DDBDMO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000266853258 186359688 /nfs/dbraw/zinc/35/96/88/186359688.db2.gz SBILWHQGQBJKDM-CYBMUJFWSA-N 1 1 308.382 1.845 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601252498 358464260 /nfs/dbraw/zinc/46/42/60/358464260.db2.gz ZBSNSTHDDCRMOR-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000041886263 352317018 /nfs/dbraw/zinc/31/70/18/352317018.db2.gz ORSGZGVQTWBHPD-LLVKDONJSA-N 1 1 323.349 1.389 20 5 DDBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000277165376 213338977 /nfs/dbraw/zinc/33/89/77/213338977.db2.gz MDBQFYQPGQEMKO-UHFFFAOYSA-N 1 1 319.369 1.643 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046863488 352466375 /nfs/dbraw/zinc/46/63/75/352466375.db2.gz KZKZRBGGVBEHAY-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO CCNC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665095 191210884 /nfs/dbraw/zinc/21/08/84/191210884.db2.gz CCOAJPLKMIWBFW-LLVKDONJSA-N 1 1 307.354 1.002 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046995088 352475666 /nfs/dbraw/zinc/47/56/66/352475666.db2.gz DHVZYKURDPKTGB-QWHCGFSZSA-N 1 1 319.361 1.717 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502284 352613015 /nfs/dbraw/zinc/61/30/15/352613015.db2.gz HOTCTJGMJXNREZ-GFCCVEGCSA-N 1 1 321.381 1.400 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173087114 198183901 /nfs/dbraw/zinc/18/39/01/198183901.db2.gz NXJBEWYRLZVNHB-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CC[N@H+](CCC(=O)OC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000064570497 352940535 /nfs/dbraw/zinc/94/05/35/352940535.db2.gz FRCVNLBDURGEAD-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000064570497 352940537 /nfs/dbraw/zinc/94/05/37/352940537.db2.gz FRCVNLBDURGEAD-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000068226857 353097526 /nfs/dbraw/zinc/09/75/26/353097526.db2.gz KVLSOTTXTCJKNJ-RYUDHWBXSA-N 1 1 323.397 1.336 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000070949922 353186727 /nfs/dbraw/zinc/18/67/27/353186727.db2.gz QDEBEKQYOKAUQI-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000070949922 353186729 /nfs/dbraw/zinc/18/67/29/353186729.db2.gz QDEBEKQYOKAUQI-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO CCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072950596 353227444 /nfs/dbraw/zinc/22/74/44/353227444.db2.gz NSYJNWSZOHDARL-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000073786984 353270872 /nfs/dbraw/zinc/27/08/72/353270872.db2.gz UKLBSJLPLOQZBI-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000174472904 198338682 /nfs/dbraw/zinc/33/86/82/198338682.db2.gz KRWWZHFRJFUCDZ-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000174703869 198373085 /nfs/dbraw/zinc/37/30/85/198373085.db2.gz FBDHPAMSJHYYHN-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080223515 353597601 /nfs/dbraw/zinc/59/76/01/353597601.db2.gz SFUYWPNXCHPANG-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO Cc1ccnc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145252 353791385 /nfs/dbraw/zinc/79/13/85/353791385.db2.gz FQNFOHSQIWESEZ-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccnc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145252 353791388 /nfs/dbraw/zinc/79/13/88/353791388.db2.gz FQNFOHSQIWESEZ-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO CCc1nn(C)c(NC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000094135119 353911044 /nfs/dbraw/zinc/91/10/44/353911044.db2.gz CWRULBBZMQIXGF-UHFFFAOYSA-N 1 1 324.429 1.329 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093344045 353897589 /nfs/dbraw/zinc/89/75/89/353897589.db2.gz WOZGRMFGWORLDC-RISCZKNCSA-N 1 1 310.350 1.685 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142316738 354144132 /nfs/dbraw/zinc/14/41/32/354144132.db2.gz QTOISPKTXTYWLD-HNNXBMFYSA-N 1 1 303.362 1.834 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157312858 354224483 /nfs/dbraw/zinc/22/44/83/354224483.db2.gz OOLNTIGGWVKKCX-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157312858 354224485 /nfs/dbraw/zinc/22/44/85/354224485.db2.gz OOLNTIGGWVKKCX-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO CC(=O)N1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000268686116 354406167 /nfs/dbraw/zinc/40/61/67/354406167.db2.gz NOUGINGDTUCTJC-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(=O)N1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000268686116 354406172 /nfs/dbraw/zinc/40/61/72/354406172.db2.gz NOUGINGDTUCTJC-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000588829998 354940288 /nfs/dbraw/zinc/94/02/88/354940288.db2.gz CDUOLYRAUDNBRI-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000588829998 354940289 /nfs/dbraw/zinc/94/02/89/354940289.db2.gz CDUOLYRAUDNBRI-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045422 355043260 /nfs/dbraw/zinc/04/32/60/355043260.db2.gz RZCDKFQHFUJLNX-GXTWGEPZSA-N 1 1 319.361 1.770 20 5 DDBDMO [NH3+]CC(F)(F)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278451 355276958 /nfs/dbraw/zinc/27/69/58/355276958.db2.gz OXOCHGALHKIRQY-UHFFFAOYSA-N 1 1 303.265 1.050 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@@H+]1C ZINC000358724215 299232934 /nfs/dbraw/zinc/23/29/34/299232934.db2.gz MSQULGKJPUQHHG-PHIMTYICSA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@@H]1[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000592763600 355680920 /nfs/dbraw/zinc/68/09/20/355680920.db2.gz WOCVDDHTKMMYSU-BXUZGUMPSA-N 1 1 307.350 1.430 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000593031054 355775270 /nfs/dbraw/zinc/77/52/70/355775270.db2.gz ZJTOPGATGUDWRM-QMTHXVAHSA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000593031054 355775272 /nfs/dbraw/zinc/77/52/72/355775272.db2.gz ZJTOPGATGUDWRM-QMTHXVAHSA-N 1 1 308.334 1.727 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)CO1 ZINC000593058258 355782308 /nfs/dbraw/zinc/78/23/08/355782308.db2.gz KBGSRWKILUBZRK-GXTWGEPZSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)CO1 ZINC000593058258 355782312 /nfs/dbraw/zinc/78/23/12/355782312.db2.gz KBGSRWKILUBZRK-GXTWGEPZSA-N 1 1 309.366 1.646 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+](C)CC(C)C ZINC000593204359 355823766 /nfs/dbraw/zinc/82/37/66/355823766.db2.gz OMNMAUZTCAVPPN-UHFFFAOYSA-N 1 1 311.386 1.194 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418451 356204007 /nfs/dbraw/zinc/20/40/07/356204007.db2.gz JBAFFCZSRDJNJH-WDEREUQCSA-N 1 1 307.354 1.373 20 5 DDBDMO O=C1NCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594962890 356364784 /nfs/dbraw/zinc/36/47/84/356364784.db2.gz MXXUNDJSYFXVFG-ZDUSSCGKSA-N 1 1 301.302 1.833 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(N)=O)CC1 ZINC000081540708 192286535 /nfs/dbraw/zinc/28/65/35/192286535.db2.gz FYVBDNPPTVBUQQ-UHFFFAOYSA-N 1 1 308.338 1.236 20 5 DDBDMO CC(C)[C@@](C)(C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236836162 202032451 /nfs/dbraw/zinc/03/24/51/202032451.db2.gz OLBWIPJUNHXECY-CQSZACIVSA-N 1 1 305.338 1.574 20 5 DDBDMO Cc1noc(C[NH+]2CCC(Cn3cnnc3)CC2)c1[N+](=O)[O-] ZINC000595559714 356551251 /nfs/dbraw/zinc/55/12/51/356551251.db2.gz UZAQHCOFJZFEAS-UHFFFAOYSA-N 1 1 306.326 1.395 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000595766525 356643983 /nfs/dbraw/zinc/64/39/83/356643983.db2.gz OPCYQTCGDIKFMT-WCQYABFASA-N 1 1 310.350 1.827 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595807861 356658818 /nfs/dbraw/zinc/65/88/18/356658818.db2.gz BGQWFPWGPWOGTK-AAEUAGOBSA-N 1 1 301.346 1.826 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595807861 356658822 /nfs/dbraw/zinc/65/88/22/356658822.db2.gz BGQWFPWGPWOGTK-AAEUAGOBSA-N 1 1 301.346 1.826 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595905845 356699714 /nfs/dbraw/zinc/69/97/14/356699714.db2.gz HMHBBSVTEANNCF-CHWSQXEVSA-N 1 1 324.356 1.603 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595905845 356699716 /nfs/dbraw/zinc/69/97/16/356699716.db2.gz HMHBBSVTEANNCF-CHWSQXEVSA-N 1 1 324.356 1.603 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596091651 356769092 /nfs/dbraw/zinc/76/90/92/356769092.db2.gz BJYBEUYKOFCROQ-NSHDSACASA-N 1 1 306.366 1.836 20 5 DDBDMO COC(=O)c1cc(OCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000596257227 356834595 /nfs/dbraw/zinc/83/45/95/356834595.db2.gz GZBMTUOXTRFZMY-UHFFFAOYSA-N 1 1 305.290 1.736 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596136091 356786409 /nfs/dbraw/zinc/78/64/09/356786409.db2.gz HCUIDCOHBPWMAQ-FZMZJTMJSA-N 1 1 320.393 1.860 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596499065 356898500 /nfs/dbraw/zinc/89/85/00/356898500.db2.gz MDFIEPGTTUEJLM-LBPRGKRZSA-N 1 1 306.366 1.775 20 5 DDBDMO CCOc1cc(C[N@@H+](C)CC(C)(CO)CO)ccc1[N+](=O)[O-] ZINC000276828347 213119386 /nfs/dbraw/zinc/11/93/86/213119386.db2.gz AOPDVEJIGQTQFL-UHFFFAOYSA-N 1 1 312.366 1.416 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)C1(F)F ZINC000599512295 357960664 /nfs/dbraw/zinc/96/06/64/357960664.db2.gz HVGFEBSTIIXEKL-UMNHJUIQSA-N 1 1 318.324 1.375 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571622 357979622 /nfs/dbraw/zinc/97/96/22/357979622.db2.gz OAGMOXKFALISAH-GFCCVEGCSA-N 1 1 310.350 1.303 20 5 DDBDMO C[N@@H+](CC1(C)COC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599571972 357979742 /nfs/dbraw/zinc/97/97/42/357979742.db2.gz ZADGJMCMQQVYHR-AWEZNQCLSA-N 1 1 319.361 1.668 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599620268 357994910 /nfs/dbraw/zinc/99/49/10/357994910.db2.gz TZTMVWPBFZBTSS-UHFFFAOYSA-N 1 1 314.349 1.517 20 5 DDBDMO C[C@]1(CO)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599622555 357995855 /nfs/dbraw/zinc/99/58/55/357995855.db2.gz GBFOGNFLWWIZTG-IYBDPMFKSA-N 1 1 324.377 1.286 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000600190541 358150815 /nfs/dbraw/zinc/15/08/15/358150815.db2.gz GWZFWJLAYGPXME-YERXGYGTSA-N 1 1 320.345 1.872 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000600190541 358150816 /nfs/dbraw/zinc/15/08/16/358150816.db2.gz GWZFWJLAYGPXME-YERXGYGTSA-N 1 1 320.345 1.872 20 5 DDBDMO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000600721978 358296528 /nfs/dbraw/zinc/29/65/28/358296528.db2.gz DDGRKBIHLMKAPA-QGZVFWFLSA-N 1 1 321.421 1.964 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])n1C ZINC000601163404 358428551 /nfs/dbraw/zinc/42/85/51/358428551.db2.gz HXENQMPFEXMSCE-UHFFFAOYSA-N 1 1 321.312 1.463 20 5 DDBDMO Cn1cc(C[N@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])n1 ZINC000602454435 358988662 /nfs/dbraw/zinc/98/86/62/358988662.db2.gz NLGYIOQOGZFRKB-UHFFFAOYSA-N 1 1 302.334 1.635 20 5 DDBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483277 359008801 /nfs/dbraw/zinc/00/88/01/359008801.db2.gz FZGWVILPTIHFJM-LBPRGKRZSA-N 1 1 324.381 1.884 20 5 DDBDMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CN(C)CCO1 ZINC000602575393 359051149 /nfs/dbraw/zinc/05/11/49/359051149.db2.gz HJBNSAKSFUQUQE-IINYFYTJSA-N 1 1 320.349 1.545 20 5 DDBDMO Cn1cc(C[N@@H+](CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602779069 359184768 /nfs/dbraw/zinc/18/47/68/359184768.db2.gz LDNHMVTVNDKTRA-UHFFFAOYSA-N 1 1 312.370 1.080 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000602795584 359197819 /nfs/dbraw/zinc/19/78/19/359197819.db2.gz MMLKLIFRRKOUJD-OAHLLOKOSA-N 1 1 316.361 1.691 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H]4C[C@@]4(O)C3)co2)cc1 ZINC000603085407 359393759 /nfs/dbraw/zinc/39/37/59/359393759.db2.gz GCFHPCYFOGGDFM-IAQYHMDHSA-N 1 1 301.302 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)co2)cc1 ZINC000603085407 359393762 /nfs/dbraw/zinc/39/37/62/359393762.db2.gz GCFHPCYFOGGDFM-IAQYHMDHSA-N 1 1 301.302 1.816 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603401186 359617695 /nfs/dbraw/zinc/61/76/95/359617695.db2.gz ITZREGFHQXAJGW-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281133981 216100613 /nfs/dbraw/zinc/10/06/13/216100613.db2.gz NSJKTCUDDJCMLO-CQSZACIVSA-N 1 1 322.321 1.461 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383604 360303082 /nfs/dbraw/zinc/30/30/82/360303082.db2.gz WIKONWGIJSNAOG-CYBMUJFWSA-N 1 1 318.377 1.851 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000609269403 360285799 /nfs/dbraw/zinc/28/57/99/360285799.db2.gz PRCIKOCHYQTKBI-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846482 360355419 /nfs/dbraw/zinc/35/54/19/360355419.db2.gz RTHJJMLEUZXLAE-ZYHUDNBSSA-N 1 1 319.365 1.143 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846482 360355424 /nfs/dbraw/zinc/35/54/24/360355424.db2.gz RTHJJMLEUZXLAE-ZYHUDNBSSA-N 1 1 319.365 1.143 20 5 DDBDMO C[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271198 360404920 /nfs/dbraw/zinc/40/49/20/360404920.db2.gz JWMXABVBMAZRSW-YPMHNXCESA-N 1 1 321.377 1.938 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610615590 360482040 /nfs/dbraw/zinc/48/20/40/360482040.db2.gz ULTIYBCPMKYFSF-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO COC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610615590 360482042 /nfs/dbraw/zinc/48/20/42/360482042.db2.gz ULTIYBCPMKYFSF-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000610920548 360571920 /nfs/dbraw/zinc/57/19/20/360571920.db2.gz QFTVDFSDQFVLLY-SECBINFHSA-N 1 1 307.354 1.408 20 5 DDBDMO CC1(O)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611272033 360685489 /nfs/dbraw/zinc/68/54/89/360685489.db2.gz GKZHKAALXZQIKA-UHFFFAOYSA-N 1 1 308.334 1.713 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000611560953 360760010 /nfs/dbraw/zinc/76/00/10/360760010.db2.gz SLJNYCXUXIQSJK-ZDUSSCGKSA-N 1 1 304.350 1.778 20 5 DDBDMO CCO[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030393 360894165 /nfs/dbraw/zinc/89/41/65/360894165.db2.gz UMSDEWJTKNQMKR-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3=CCCOC3)C2)nc1 ZINC000093534724 193266588 /nfs/dbraw/zinc/26/65/88/193266588.db2.gz YRXHSAWVDPWVEX-CYBMUJFWSA-N 1 1 304.350 1.823 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000350596984 284219039 /nfs/dbraw/zinc/21/90/39/284219039.db2.gz IQFYDPRLXVCDFB-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000266073061 205074303 /nfs/dbraw/zinc/07/43/03/205074303.db2.gz FLUDKRYKWZYYEQ-GFCCVEGCSA-N 1 1 307.350 1.354 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344527 205281037 /nfs/dbraw/zinc/28/10/37/205281037.db2.gz IROOQQWDJBTCCX-NWDGAFQWSA-N 1 1 309.366 1.495 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288576830 220253545 /nfs/dbraw/zinc/25/35/45/220253545.db2.gz UUSWGKUZJHVSJC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288576830 220253548 /nfs/dbraw/zinc/25/35/48/220253548.db2.gz UUSWGKUZJHVSJC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288576830 220253553 /nfs/dbraw/zinc/25/35/53/220253553.db2.gz UUSWGKUZJHVSJC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000288576830 220253557 /nfs/dbraw/zinc/25/35/57/220253557.db2.gz UUSWGKUZJHVSJC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(F)c1 ZINC000336838882 249246789 /nfs/dbraw/zinc/24/67/89/249246789.db2.gz NRGYGDASTDDBMK-NSHDSACASA-N 1 1 302.327 1.401 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193873 249382675 /nfs/dbraw/zinc/38/26/75/249382675.db2.gz YMVZCMNTSQGRSA-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193873 249382680 /nfs/dbraw/zinc/38/26/80/249382680.db2.gz YMVZCMNTSQGRSA-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193873 249382683 /nfs/dbraw/zinc/38/26/83/249382683.db2.gz YMVZCMNTSQGRSA-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285072822 218279381 /nfs/dbraw/zinc/27/93/81/218279381.db2.gz HCYVJHLADODKSH-LLVKDONJSA-N 1 1 309.370 1.560 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340925923 251280794 /nfs/dbraw/zinc/28/07/94/251280794.db2.gz IVVXCMIYBPCONN-YPMHNXCESA-N 1 1 307.350 1.687 20 5 DDBDMO CNC(=O)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350412 184295590 /nfs/dbraw/zinc/29/55/90/184295590.db2.gz SXWAGXLJNVRFJC-UHFFFAOYSA-N 1 1 308.338 1.261 20 5 DDBDMO CNC(=O)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350412 184295592 /nfs/dbraw/zinc/29/55/92/184295592.db2.gz SXWAGXLJNVRFJC-UHFFFAOYSA-N 1 1 308.338 1.261 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000155534285 197063540 /nfs/dbraw/zinc/06/35/40/197063540.db2.gz JZAGMQFKOGLQNJ-TXEJJXNPSA-N 1 1 307.350 1.525 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000154978754 197009641 /nfs/dbraw/zinc/00/96/41/197009641.db2.gz PZBGMYSZOMRBKO-SNVBAGLBSA-N 1 1 323.349 1.309 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000154978754 197009643 /nfs/dbraw/zinc/00/96/43/197009643.db2.gz PZBGMYSZOMRBKO-SNVBAGLBSA-N 1 1 323.349 1.309 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352701040 285238825 /nfs/dbraw/zinc/23/88/25/285238825.db2.gz VFZYMSKBJSTRFK-ZIAGYGMSSA-N 1 1 307.350 1.687 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000120493028 195177003 /nfs/dbraw/zinc/17/70/03/195177003.db2.gz VOJWOZHTCXMUHP-UHFFFAOYSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)C1 ZINC000121594452 195312742 /nfs/dbraw/zinc/31/27/42/195312742.db2.gz XACGOWKGCQCUCE-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CO)C1 ZINC000121594452 195312743 /nfs/dbraw/zinc/31/27/43/195312743.db2.gz XACGOWKGCQCUCE-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO COc1cccc(C(=O)NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000444142767 533408576 /nfs/dbraw/zinc/40/85/76/533408576.db2.gz LFFJFJRQDHWHDB-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000122563768 407304722 /nfs/dbraw/zinc/30/47/22/407304722.db2.gz UWRYLVYRPKVYLO-NSHDSACASA-N 1 1 307.354 1.312 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000122563768 407304723 /nfs/dbraw/zinc/30/47/23/407304723.db2.gz UWRYLVYRPKVYLO-NSHDSACASA-N 1 1 307.354 1.312 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000122563768 407304724 /nfs/dbraw/zinc/30/47/24/407304724.db2.gz UWRYLVYRPKVYLO-NSHDSACASA-N 1 1 307.354 1.312 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000107888947 407381041 /nfs/dbraw/zinc/38/10/41/407381041.db2.gz LSJLYMPUAWBAQS-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000126251670 407408826 /nfs/dbraw/zinc/40/88/26/407408826.db2.gz ROQGBYJPHYNDFM-MFKMUULPSA-N 1 1 306.366 1.589 20 5 DDBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(C)(=O)=O ZINC000112618968 407433838 /nfs/dbraw/zinc/43/38/38/407433838.db2.gz HRDJQEOBEVXVAZ-GFCCVEGCSA-N 1 1 314.407 1.892 20 5 DDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(C)(=O)=O ZINC000112618968 407433839 /nfs/dbraw/zinc/43/38/39/407433839.db2.gz HRDJQEOBEVXVAZ-GFCCVEGCSA-N 1 1 314.407 1.892 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000271005832 407462973 /nfs/dbraw/zinc/46/29/73/407462973.db2.gz ZEZYSRVSKDWVEW-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000271005832 407462974 /nfs/dbraw/zinc/46/29/74/407462974.db2.gz ZEZYSRVSKDWVEW-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261764052 407606036 /nfs/dbraw/zinc/60/60/36/407606036.db2.gz QRBCCZMLRRMYND-ZDUSSCGKSA-N 1 1 315.333 1.115 20 5 DDBDMO O=C1CNC(=O)N1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130055056 407650542 /nfs/dbraw/zinc/65/05/42/407650542.db2.gz JVHKANVNKFMPSO-UHFFFAOYSA-N 1 1 318.333 1.111 20 5 DDBDMO COc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000153134441 407760979 /nfs/dbraw/zinc/76/09/79/407760979.db2.gz ICIFIEAJOIQGEX-GXTWGEPZSA-N 1 1 311.313 1.262 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000153332235 407804261 /nfs/dbraw/zinc/80/42/61/407804261.db2.gz BJVRMUCRGCVZOH-LLVKDONJSA-N 1 1 317.340 1.453 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000153332235 407804267 /nfs/dbraw/zinc/80/42/67/407804267.db2.gz BJVRMUCRGCVZOH-LLVKDONJSA-N 1 1 317.340 1.453 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000117290557 407824000 /nfs/dbraw/zinc/82/40/00/407824000.db2.gz DAROVFIZKYQWBC-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000117290557 407824002 /nfs/dbraw/zinc/82/40/02/407824002.db2.gz DAROVFIZKYQWBC-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO CCCNC(=O)C[N@H+](CCC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153754111 407894106 /nfs/dbraw/zinc/89/41/06/407894106.db2.gz KSZVHCISYZIHQV-OAHLLOKOSA-N 1 1 323.393 1.866 20 5 DDBDMO CCCNC(=O)C[N@@H+](CCC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153754111 407894113 /nfs/dbraw/zinc/89/41/13/407894113.db2.gz KSZVHCISYZIHQV-OAHLLOKOSA-N 1 1 323.393 1.866 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267599234 407848234 /nfs/dbraw/zinc/84/82/34/407848234.db2.gz JBFABSXIDMFDPH-DGCLKSJQSA-N 1 1 320.393 1.731 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000174316980 407931238 /nfs/dbraw/zinc/93/12/38/407931238.db2.gz FAUWCGNHJAQGEY-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000174316980 407931242 /nfs/dbraw/zinc/93/12/42/407931242.db2.gz FAUWCGNHJAQGEY-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189561364 408049769 /nfs/dbraw/zinc/04/97/69/408049769.db2.gz LKVRLXFUBPWPED-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268497002 408070796 /nfs/dbraw/zinc/07/07/96/408070796.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268497002 408070803 /nfs/dbraw/zinc/07/08/03/408070803.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268497002 408070813 /nfs/dbraw/zinc/07/08/13/408070813.db2.gz RIWYDAFKHZSMSX-LLVKDONJSA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1nc2sccn2c1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000268508311 408077442 /nfs/dbraw/zinc/07/74/42/408077442.db2.gz VPWJNKCSBPHPJI-UHFFFAOYSA-N 1 1 320.378 1.941 20 5 DDBDMO Cc1nc2sccn2c1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000268508311 408077446 /nfs/dbraw/zinc/07/74/46/408077446.db2.gz VPWJNKCSBPHPJI-UHFFFAOYSA-N 1 1 320.378 1.941 20 5 DDBDMO CC(C)(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000273244434 408123286 /nfs/dbraw/zinc/12/32/86/408123286.db2.gz GERNIQHYFXWIGT-UONOGXRCSA-N 1 1 323.393 1.485 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(CO)CO ZINC000135865302 408056012 /nfs/dbraw/zinc/05/60/12/408056012.db2.gz RJBLRHSMJUSCIM-UHFFFAOYSA-N 1 1 312.366 1.416 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(CO)CO ZINC000135865302 408056018 /nfs/dbraw/zinc/05/60/18/408056018.db2.gz RJBLRHSMJUSCIM-UHFFFAOYSA-N 1 1 312.366 1.416 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000263646379 408188165 /nfs/dbraw/zinc/18/81/65/408188165.db2.gz ASRWJJVSPZDJET-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122136722 408255459 /nfs/dbraw/zinc/25/54/59/408255459.db2.gz RJXQZTRSRKXPOZ-CQSZACIVSA-N 1 1 306.410 1.883 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459841 408317582 /nfs/dbraw/zinc/31/75/82/408317582.db2.gz HMGNVBZGGJFJQY-UWVGGRQHSA-N 1 1 321.381 1.796 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269459870 408317772 /nfs/dbraw/zinc/31/77/72/408317772.db2.gz HMPWLOGPXKTCJK-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269459870 408317774 /nfs/dbraw/zinc/31/77/74/408317774.db2.gz HMPWLOGPXKTCJK-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269459870 408317778 /nfs/dbraw/zinc/31/77/78/408317778.db2.gz HMPWLOGPXKTCJK-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(CC(F)(F)F)CC2)n1 ZINC000176250515 408325230 /nfs/dbraw/zinc/32/52/30/408325230.db2.gz SOEXDPCWLOEZFC-UHFFFAOYSA-N 1 1 321.303 1.361 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(CC(F)(F)F)CC2)n1 ZINC000176250515 408325235 /nfs/dbraw/zinc/32/52/35/408325235.db2.gz SOEXDPCWLOEZFC-UHFFFAOYSA-N 1 1 321.303 1.361 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328127 408269814 /nfs/dbraw/zinc/26/98/14/408269814.db2.gz DMSYRUHWKIRJJX-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328127 408269820 /nfs/dbraw/zinc/26/98/20/408269820.db2.gz DMSYRUHWKIRJJX-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328127 408269826 /nfs/dbraw/zinc/26/98/26/408269826.db2.gz DMSYRUHWKIRJJX-WDEREUQCSA-N 1 1 321.381 1.750 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCn3ccnc3)C2)nc1 ZINC000183190397 408347233 /nfs/dbraw/zinc/34/72/33/408347233.db2.gz MLOLLJIUQJUKTM-CYBMUJFWSA-N 1 1 316.365 1.763 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269600509 408356149 /nfs/dbraw/zinc/35/61/49/408356149.db2.gz AEZCZJMEUZFJGN-UHFFFAOYSA-N 1 1 323.303 1.933 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000159407359 408405569 /nfs/dbraw/zinc/40/55/69/408405569.db2.gz CXWFNGLQGBDAKS-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000274471171 408417403 /nfs/dbraw/zinc/41/74/03/408417403.db2.gz ZEHHHVWTZRPRDK-UHFFFAOYSA-N 1 1 314.317 1.170 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccccc1 ZINC000270338982 408493000 /nfs/dbraw/zinc/49/30/00/408493000.db2.gz ZBGUPNRJIBOLBA-AAEUAGOBSA-N 1 1 314.349 1.824 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177052898 408509156 /nfs/dbraw/zinc/50/91/56/408509156.db2.gz MAQJNIZZMIJFJP-AAEUAGOBSA-N 1 1 303.362 1.879 20 5 DDBDMO C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000183927740 408509418 /nfs/dbraw/zinc/50/94/18/408509418.db2.gz LMFATYZBRXUZCH-LLVKDONJSA-N 1 1 322.390 1.949 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000248042308 408527000 /nfs/dbraw/zinc/52/70/00/408527000.db2.gz TZQOQAHNUPGAFP-XHDPSFHLSA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248456964 408570547 /nfs/dbraw/zinc/57/05/47/408570547.db2.gz LZPBWQMQNGGYDP-RWMBFGLXSA-N 1 1 310.350 1.037 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161273663 408581984 /nfs/dbraw/zinc/58/19/84/408581984.db2.gz GFTGUXUIHIDTMX-YPMHNXCESA-N 1 1 309.370 1.026 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOCC12CCCC2 ZINC000270567933 408583492 /nfs/dbraw/zinc/58/34/92/408583492.db2.gz ADIQGZBCQWBOBP-UHFFFAOYSA-N 1 1 307.350 1.402 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC12CCCC2 ZINC000270567933 408583496 /nfs/dbraw/zinc/58/34/96/408583496.db2.gz ADIQGZBCQWBOBP-UHFFFAOYSA-N 1 1 307.350 1.402 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192646785 408624957 /nfs/dbraw/zinc/62/49/57/408624957.db2.gz ZAJZBEXLTFMJHT-MEBBXXQBSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192646785 408624960 /nfs/dbraw/zinc/62/49/60/408624960.db2.gz ZAJZBEXLTFMJHT-MEBBXXQBSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000249531011 408738977 /nfs/dbraw/zinc/73/89/77/408738977.db2.gz AXUIWIAXEJUMSC-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000249531011 408738982 /nfs/dbraw/zinc/73/89/82/408738982.db2.gz AXUIWIAXEJUMSC-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163658099 408785562 /nfs/dbraw/zinc/78/55/62/408785562.db2.gz HEQZTKKFBGNFQS-GHMZBOCLSA-N 1 1 309.370 1.179 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000251853245 408787835 /nfs/dbraw/zinc/78/78/35/408787835.db2.gz QPAILHDQOPQQMG-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000251853245 408787836 /nfs/dbraw/zinc/78/78/36/408787836.db2.gz QPAILHDQOPQQMG-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185130879 408765177 /nfs/dbraw/zinc/76/51/77/408765177.db2.gz NBERQTNIEKNCIX-GGZOMVNGSA-N 1 1 315.333 1.280 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276162938 408823800 /nfs/dbraw/zinc/82/38/00/408823800.db2.gz FXMPRLCWSKZARL-AWEZNQCLSA-N 1 1 305.334 1.279 20 5 DDBDMO C[NH+](C)CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281601457 408895666 /nfs/dbraw/zinc/89/56/66/408895666.db2.gz DEJGYOVNDFTFAF-UHFFFAOYSA-N 1 1 317.349 1.685 20 5 DDBDMO Cc1c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285953366 408895919 /nfs/dbraw/zinc/89/59/19/408895919.db2.gz WHZJGQCERZADPG-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281674570 408907931 /nfs/dbraw/zinc/90/79/31/408907931.db2.gz LWIYKCOUAJRHLT-MELADBBJSA-N 1 1 324.377 1.834 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276583950 408888214 /nfs/dbraw/zinc/88/82/14/408888214.db2.gz PAMMEWDSICUION-SCRDCRAPSA-N 1 1 320.345 1.530 20 5 DDBDMO COCC[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277487380 408949858 /nfs/dbraw/zinc/94/98/58/408949858.db2.gz DETFXUZMTITVRP-NSHDSACASA-N 1 1 319.365 1.628 20 5 DDBDMO CC(C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000286235338 408946199 /nfs/dbraw/zinc/94/61/99/408946199.db2.gz UIPRUCHEKFYFIL-INIZCTEOSA-N 1 1 321.425 1.861 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000277567938 408966537 /nfs/dbraw/zinc/96/65/37/408966537.db2.gz KWUKJXAVIGEOEJ-WDEREUQCSA-N 1 1 319.361 1.958 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000277638654 408982706 /nfs/dbraw/zinc/98/27/06/408982706.db2.gz TUHZCGDKHVQUOJ-QMTHXVAHSA-N 1 1 319.361 1.816 20 5 DDBDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277653831 408985609 /nfs/dbraw/zinc/98/56/09/408985609.db2.gz DFIYREIQWVKNCT-INIZCTEOSA-N 1 1 321.377 1.821 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286447341 408986776 /nfs/dbraw/zinc/98/67/76/408986776.db2.gz JQPMKXHCGYSHGD-ZLKJLUDKSA-N 1 1 307.350 1.767 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000277721543 408998619 /nfs/dbraw/zinc/99/86/19/408998619.db2.gz JFNYJKUPLUQVRD-MWLCHTKSSA-N 1 1 322.287 1.427 20 5 DDBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CO ZINC000292307443 409021296 /nfs/dbraw/zinc/02/12/96/409021296.db2.gz VCCJKIXCZNXTMY-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CO ZINC000292307443 409021302 /nfs/dbraw/zinc/02/13/02/409021302.db2.gz VCCJKIXCZNXTMY-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668331 409158059 /nfs/dbraw/zinc/15/80/59/409158059.db2.gz JPMLFWIXVHELFN-AAEUAGOBSA-N 1 1 307.398 1.073 20 5 DDBDMO C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668331 409158062 /nfs/dbraw/zinc/15/80/62/409158062.db2.gz JPMLFWIXVHELFN-AAEUAGOBSA-N 1 1 307.398 1.073 20 5 DDBDMO COc1cc(C[NH2+]Cc2cc(C)nn2C)c([N+](=O)[O-])cc1O ZINC000284069258 409268397 /nfs/dbraw/zinc/26/83/97/409268397.db2.gz UIKUUDKQYVPUDK-UHFFFAOYSA-N 1 1 306.322 1.641 20 5 DDBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280507078 409334108 /nfs/dbraw/zinc/33/41/08/409334108.db2.gz NINIUUHUPPEYNQ-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280507078 409334116 /nfs/dbraw/zinc/33/41/16/409334116.db2.gz NINIUUHUPPEYNQ-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295556203 409346347 /nfs/dbraw/zinc/34/63/47/409346347.db2.gz UAJCOELLMHADML-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000307857698 164004224 /nfs/dbraw/zinc/00/42/24/164004224.db2.gz HDVRDFIUZYRLHX-UHFFFAOYSA-N 1 1 306.366 1.804 20 5 DDBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)N1CC[NH+](C)CC1 ZINC000315971645 164020987 /nfs/dbraw/zinc/02/09/87/164020987.db2.gz VHMLGBSBUNAPCE-CQSZACIVSA-N 1 1 307.398 1.674 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182337 164253070 /nfs/dbraw/zinc/25/30/70/164253070.db2.gz JJSXAAJFPIDZKI-NEPJUHHUSA-N 1 1 306.366 1.632 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354006982 409594249 /nfs/dbraw/zinc/59/42/49/409594249.db2.gz OFCRSYDGTFOLIU-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1nc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296794509 409640416 /nfs/dbraw/zinc/64/04/16/409640416.db2.gz OLFJDDMFURQBLY-NSHDSACASA-N 1 1 321.381 1.383 20 5 DDBDMO CCC(=O)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000305157869 409705642 /nfs/dbraw/zinc/70/56/42/409705642.db2.gz DBROKMZIJFAEAH-HNNXBMFYSA-N 1 1 321.377 1.573 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000305157869 409705651 /nfs/dbraw/zinc/70/56/51/409705651.db2.gz DBROKMZIJFAEAH-HNNXBMFYSA-N 1 1 321.377 1.573 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000345167202 409652395 /nfs/dbraw/zinc/65/23/95/409652395.db2.gz XVMKPUBDQJDZCV-VXGBXAGGSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@]1(O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000331651137 409735714 /nfs/dbraw/zinc/73/57/14/409735714.db2.gz MAMWMEURASMNDR-HNNXBMFYSA-N 1 1 321.333 1.350 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354391103 409816433 /nfs/dbraw/zinc/81/64/33/409816433.db2.gz JUGUTTHEQTXFQQ-QWHCGFSZSA-N 1 1 323.397 1.513 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332028730 409818296 /nfs/dbraw/zinc/81/82/96/409818296.db2.gz HUPLBMUBCXJNJY-CABCVRRESA-N 1 1 303.362 1.880 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](c2ccccc2)C1 ZINC000354521310 409914875 /nfs/dbraw/zinc/91/48/75/409914875.db2.gz NHZDAZDFWUSWHK-YPMHNXCESA-N 1 1 315.333 1.146 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000346617239 410038917 /nfs/dbraw/zinc/03/89/17/410038917.db2.gz AOHJVMKKAWJGIR-LBPRGKRZSA-N 1 1 308.382 1.784 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346636823 410051096 /nfs/dbraw/zinc/05/10/96/410051096.db2.gz HYRLTIBECBWALE-VXGBXAGGSA-N 1 1 308.334 1.857 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332335457 410074628 /nfs/dbraw/zinc/07/46/28/410074628.db2.gz RBIXKICKSSNGLK-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332335457 410074630 /nfs/dbraw/zinc/07/46/30/410074630.db2.gz RBIXKICKSSNGLK-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332351227 410087089 /nfs/dbraw/zinc/08/70/89/410087089.db2.gz PJTGIVKPGZMIMR-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332351227 410087094 /nfs/dbraw/zinc/08/70/94/410087094.db2.gz PJTGIVKPGZMIMR-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO Cc1nccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000351639855 410127651 /nfs/dbraw/zinc/12/76/51/410127651.db2.gz FUYOOEPRXQZZGV-ZDUSSCGKSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1nccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000351639855 410127657 /nfs/dbraw/zinc/12/76/57/410127657.db2.gz FUYOOEPRXQZZGV-ZDUSSCGKSA-N 1 1 314.349 1.775 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(CCO)CC1 ZINC000357653893 410166660 /nfs/dbraw/zinc/16/66/60/410166660.db2.gz XGQWJUBYNPJOEL-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357680308 410183610 /nfs/dbraw/zinc/18/36/10/410183610.db2.gz LWFHITKRTIZAMC-UHFFFAOYSA-N 1 1 321.381 1.623 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000351774795 410223543 /nfs/dbraw/zinc/22/35/43/410223543.db2.gz NXSDZXPXNLWHRK-DDTOSNHZSA-N 1 1 305.334 1.013 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000351774795 410223548 /nfs/dbraw/zinc/22/35/48/410223548.db2.gz NXSDZXPXNLWHRK-DDTOSNHZSA-N 1 1 305.334 1.013 20 5 DDBDMO C[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339632121 410343411 /nfs/dbraw/zinc/34/34/11/410343411.db2.gz WSMZFLLBZJAREM-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCCC[C@H]1C ZINC000347012135 410311290 /nfs/dbraw/zinc/31/12/90/410311290.db2.gz LSJBRUAPOIIYCR-GHMZBOCLSA-N 1 1 309.370 1.321 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002314 410479719 /nfs/dbraw/zinc/47/97/19/410479719.db2.gz JWXRWTRYIVHTFN-RYUDHWBXSA-N 1 1 322.340 1.673 20 5 DDBDMO Cc1c(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000358577102 410483372 /nfs/dbraw/zinc/48/33/72/410483372.db2.gz FYMMWVQENRUMEJ-CYBMUJFWSA-N 1 1 306.366 1.797 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343690214 410623952 /nfs/dbraw/zinc/62/39/52/410623952.db2.gz MEPQRNIWZWMDDO-OAHLLOKOSA-N 1 1 308.334 1.483 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343690214 410623956 /nfs/dbraw/zinc/62/39/56/410623956.db2.gz MEPQRNIWZWMDDO-OAHLLOKOSA-N 1 1 308.334 1.483 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC2)cc1OC ZINC000337302395 410702657 /nfs/dbraw/zinc/70/26/57/410702657.db2.gz YEQQWSXPJVEHLS-UHFFFAOYSA-N 1 1 323.349 1.438 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310867 410709489 /nfs/dbraw/zinc/70/94/89/410709489.db2.gz BOZAOEYZSONRPI-SLEUVZQESA-N 1 1 319.361 1.626 20 5 DDBDMO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000347900118 410781450 /nfs/dbraw/zinc/78/14/50/410781450.db2.gz SQKHEAKVRGXFHN-ZDUSSCGKSA-N 1 1 318.377 1.702 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330572845 410787138 /nfs/dbraw/zinc/78/71/38/410787138.db2.gz DTAOXANNMQNKOY-CHWSQXEVSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCC[C@H](C)C1 ZINC000330586043 410800229 /nfs/dbraw/zinc/80/02/29/410800229.db2.gz SIRJJKNKNLOYKY-RYUDHWBXSA-N 1 1 308.382 1.784 20 5 DDBDMO C[NH+](C)CCSc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301868446 410816535 /nfs/dbraw/zinc/81/65/35/410816535.db2.gz GRKUJQNVQIENFY-UHFFFAOYSA-N 1 1 304.393 1.652 20 5 DDBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCCCCC1 ZINC000353206160 410852296 /nfs/dbraw/zinc/85/22/96/410852296.db2.gz MSLNLBCOFKDUMC-UHFFFAOYSA-N 1 1 323.397 1.516 20 5 DDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)N1CCCCCC1 ZINC000353206160 410852302 /nfs/dbraw/zinc/85/23/02/410852302.db2.gz MSLNLBCOFKDUMC-UHFFFAOYSA-N 1 1 323.397 1.516 20 5 DDBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343962758 410852628 /nfs/dbraw/zinc/85/26/28/410852628.db2.gz CNBDLTGLTFYFNN-WDEREUQCSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343962758 410852632 /nfs/dbraw/zinc/85/26/32/410852632.db2.gz CNBDLTGLTFYFNN-WDEREUQCSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCC[C@H](C)C1 ZINC000356150102 410863345 /nfs/dbraw/zinc/86/33/45/410863345.db2.gz HTHWUJYCCXUDRA-WDEREUQCSA-N 1 1 309.370 1.179 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000356466628 411045518 /nfs/dbraw/zinc/04/55/18/411045518.db2.gz YAEFJMJWABGLCA-JTQLQIEISA-N 1 1 307.354 1.075 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331425002 411082620 /nfs/dbraw/zinc/08/26/20/411082620.db2.gz UWHUPZZCAOFOJW-GFCCVEGCSA-N 1 1 321.381 1.163 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331425002 411082623 /nfs/dbraw/zinc/08/26/23/411082623.db2.gz UWHUPZZCAOFOJW-GFCCVEGCSA-N 1 1 321.381 1.163 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)n1 ZINC000331210783 411020638 /nfs/dbraw/zinc/02/06/38/411020638.db2.gz RGGGKRSARPCJRU-JTQLQIEISA-N 1 1 307.354 1.191 20 5 DDBDMO Cn1c(Cl)cnc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120557894 782022055 /nfs/dbraw/zinc/02/20/55/782022055.db2.gz BZJFYYGUGYEACG-LLVKDONJSA-N 1 1 310.741 1.805 20 5 DDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000360651164 418484212 /nfs/dbraw/zinc/48/42/12/418484212.db2.gz FWWZAXQQUKBHDW-MNOVXSKESA-N 1 1 313.379 1.356 20 5 DDBDMO COc1cccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000192509380 418523728 /nfs/dbraw/zinc/52/37/28/418523728.db2.gz PJHQRRMROYJXFQ-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374387549 418525287 /nfs/dbraw/zinc/52/52/87/418525287.db2.gz BMJJYZXWCHCHJB-IIAWOOMASA-N 1 1 306.362 1.987 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361199465 418604998 /nfs/dbraw/zinc/60/49/98/418604998.db2.gz DUQVIHZZTVSCAF-SDDRHHMPSA-N 1 1 305.334 1.744 20 5 DDBDMO CCC[N@@H+](C)CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000358579425 418654907 /nfs/dbraw/zinc/65/49/07/418654907.db2.gz APUGGEWBPLTTIY-UHFFFAOYSA-N 1 1 317.349 2.265 20 5 DDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000367994914 418671323 /nfs/dbraw/zinc/67/13/23/418671323.db2.gz WIEVRNKJAWKNHR-JTQLQIEISA-N 1 1 303.240 1.413 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000361579999 418684739 /nfs/dbraw/zinc/68/47/39/418684739.db2.gz YYCPUOZZICZWPF-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000361579999 418684741 /nfs/dbraw/zinc/68/47/41/418684741.db2.gz YYCPUOZZICZWPF-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364932571 418824053 /nfs/dbraw/zinc/82/40/53/418824053.db2.gz HIRKWORSTDBAGX-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO CCOc1cccc(N2CC[N@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364932571 418824055 /nfs/dbraw/zinc/82/40/55/418824055.db2.gz HIRKWORSTDBAGX-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCN2 ZINC000365542872 418873709 /nfs/dbraw/zinc/87/37/09/418873709.db2.gz CBCZIJHOAXOHMA-NEPJUHHUSA-N 1 1 318.377 1.838 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411420294 418902248 /nfs/dbraw/zinc/90/22/48/418902248.db2.gz JIUDIBBQMPHMIF-GHMZBOCLSA-N 1 1 323.349 1.387 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000372154705 418840306 /nfs/dbraw/zinc/84/03/06/418840306.db2.gz HUBJICSKXCWNDC-GXFFZTMASA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000372154705 418840308 /nfs/dbraw/zinc/84/03/08/418840308.db2.gz HUBJICSKXCWNDC-GXFFZTMASA-N 1 1 313.379 1.279 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974228 419376360 /nfs/dbraw/zinc/37/63/60/419376360.db2.gz LGIUCRBQQWZHIJ-QWRGUYRKSA-N 1 1 310.350 1.815 20 5 DDBDMO COC(=O)[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411915076 419484121 /nfs/dbraw/zinc/48/41/21/419484121.db2.gz YKZSOAJELPFRAR-LLVKDONJSA-N 1 1 313.379 1.193 20 5 DDBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000420994805 419435379 /nfs/dbraw/zinc/43/53/79/419435379.db2.gz CQVSQESLCBRAPC-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412038690 419583128 /nfs/dbraw/zinc/58/31/28/419583128.db2.gz PEASLJKCXMQBOJ-MFKMUULPSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412038690 419583138 /nfs/dbraw/zinc/58/31/38/419583138.db2.gz PEASLJKCXMQBOJ-MFKMUULPSA-N 1 1 307.350 1.544 20 5 DDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412066700 419614531 /nfs/dbraw/zinc/61/45/31/419614531.db2.gz FTCPKZCENYKQAL-LBPRGKRZSA-N 1 1 310.375 1.933 20 5 DDBDMO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000434790406 229332557 /nfs/dbraw/zinc/33/25/57/229332557.db2.gz UJXFIFFABINDMG-KGLIPLIRSA-N 1 1 320.349 1.755 20 5 DDBDMO O=C(CC[N@H+]1CCc2nn[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000429282337 419995106 /nfs/dbraw/zinc/99/51/06/419995106.db2.gz DVGMPWRTTOMLOW-UHFFFAOYSA-N 1 1 316.321 1.100 20 5 DDBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550559 420079022 /nfs/dbraw/zinc/07/90/22/420079022.db2.gz FQCURCUGPJNMRL-YPMHNXCESA-N 1 1 309.366 1.633 20 5 DDBDMO COc1cc(C(=O)NCC(F)(F)C[NH3+])cc([N+](=O)[O-])c1C ZINC000423555630 420079670 /nfs/dbraw/zinc/07/96/70/420079670.db2.gz YGOQOTABYXEAGE-UHFFFAOYSA-N 1 1 303.265 1.236 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCC[N@H+]3C3CC3)nn21 ZINC000433807537 420254981 /nfs/dbraw/zinc/25/49/81/420254981.db2.gz IHFIIOWOFJLRIC-LBPRGKRZSA-N 1 1 316.365 2.066 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420392976 420258831 /nfs/dbraw/zinc/25/88/31/420258831.db2.gz WUIRUWWZCKRJER-UHFFFAOYSA-N 1 1 324.381 1.473 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416294086 420311187 /nfs/dbraw/zinc/31/11/87/420311187.db2.gz KOZFTFHJLBULLF-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416294086 420311190 /nfs/dbraw/zinc/31/11/90/420311190.db2.gz KOZFTFHJLBULLF-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443054758 229986444 /nfs/dbraw/zinc/98/64/44/229986444.db2.gz AASGDTYZHGIQNX-CYBMUJFWSA-N 1 1 320.393 1.903 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000420786167 420390346 /nfs/dbraw/zinc/39/03/46/420390346.db2.gz VDEQVSSSRLUHBI-CQSZACIVSA-N 1 1 306.366 1.830 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000437054215 420393228 /nfs/dbraw/zinc/39/32/28/420393228.db2.gz XMIFPEMXZPMWDU-UHFFFAOYSA-N 1 1 305.338 1.601 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425498857 420399657 /nfs/dbraw/zinc/39/96/57/420399657.db2.gz HMCLGOCVRQBANO-CQSZACIVSA-N 1 1 317.349 1.902 20 5 DDBDMO Cc1cc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302521284 230280444 /nfs/dbraw/zinc/28/04/44/230280444.db2.gz ITVOOOVPJJDDQT-LBPRGKRZSA-N 1 1 308.382 1.580 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000302556985 230295580 /nfs/dbraw/zinc/29/55/80/230295580.db2.gz RZYZETZHWNWVOY-UHFFFAOYSA-N 1 1 323.393 1.634 20 5 DDBDMO COc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450796075 420534169 /nfs/dbraw/zinc/53/41/69/420534169.db2.gz QJPLVCIXKIHXNB-TXEJJXNPSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439102609 420479711 /nfs/dbraw/zinc/47/97/11/420479711.db2.gz TXGOKJUPKPOUGA-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)o2)cc1 ZINC000459718022 420856315 /nfs/dbraw/zinc/85/63/15/420856315.db2.gz XHCSYBPJSKIOHS-SWLSCSKDSA-N 1 1 318.329 1.640 20 5 DDBDMO COCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000459751260 420863583 /nfs/dbraw/zinc/86/35/83/420863583.db2.gz IBILNPANNYIKKJ-UHFFFAOYSA-N 1 1 307.350 1.288 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000454790632 420925428 /nfs/dbraw/zinc/92/54/28/420925428.db2.gz CSQSASTUJPHKQR-QWRGUYRKSA-N 1 1 319.365 1.388 20 5 DDBDMO CNc1nc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455769008 421060115 /nfs/dbraw/zinc/06/01/15/421060115.db2.gz YJEWQDICMWXPSA-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357850 421085194 /nfs/dbraw/zinc/08/51/94/421085194.db2.gz QFCSTNSJFLIXKU-DOMZBBRYSA-N 1 1 305.378 1.793 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@@H](C)C1 ZINC000456045093 421093461 /nfs/dbraw/zinc/09/34/61/421093461.db2.gz FHDLUUHCCQTDHR-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@@H](C)C1 ZINC000456045093 421093464 /nfs/dbraw/zinc/09/34/64/421093464.db2.gz FHDLUUHCCQTDHR-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC ZINC000449767172 421078139 /nfs/dbraw/zinc/07/81/39/421078139.db2.gz AEQXEEZJSLCLFT-SNVBAGLBSA-N 1 1 311.338 1.226 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810964 421311402 /nfs/dbraw/zinc/31/14/02/421311402.db2.gz DRBANJHDLSYPCQ-DOMZBBRYSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@H+]1CCC[C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000561192802 421311561 /nfs/dbraw/zinc/31/15/61/421311561.db2.gz WBOGBBWMBUAKAD-SNVBAGLBSA-N 1 1 317.349 1.997 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563070391 421450856 /nfs/dbraw/zinc/45/08/56/421450856.db2.gz VAKHPNTUCBXIDL-DOMZBBRYSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563070391 421450860 /nfs/dbraw/zinc/45/08/60/421450860.db2.gz VAKHPNTUCBXIDL-DOMZBBRYSA-N 1 1 319.361 1.953 20 5 DDBDMO CN(C(=O)CN1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000520435782 421752301 /nfs/dbraw/zinc/75/23/01/421752301.db2.gz JMDUUDACOAMNBN-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558744593 421824868 /nfs/dbraw/zinc/82/48/68/421824868.db2.gz WBTSTBJUKRZUAN-UHFFFAOYSA-N 1 1 323.397 1.902 20 5 DDBDMO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)C1CCCCC1 ZINC000593488948 422339635 /nfs/dbraw/zinc/33/96/35/422339635.db2.gz OYOOKZZATHLYOP-UHFFFAOYSA-N 1 1 322.413 1.846 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000345593536 272287313 /nfs/dbraw/zinc/28/73/13/272287313.db2.gz CPMUHOXTGILFHT-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345916001 272364196 /nfs/dbraw/zinc/36/41/96/272364196.db2.gz YZAZCAXIQRZOND-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000413475900 274017112 /nfs/dbraw/zinc/01/71/12/274017112.db2.gz OMCJIOHIODVHTC-UHFFFAOYSA-N 1 1 323.393 1.687 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@H+](CCO)CC1 ZINC000276566902 275034508 /nfs/dbraw/zinc/03/45/08/275034508.db2.gz GYRWMACTSFBIOZ-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(F)(F)C[NH3+])c1 ZINC000190238847 278174964 /nfs/dbraw/zinc/17/49/64/278174964.db2.gz IUQYZCMZZZKDBQ-UHFFFAOYSA-N 1 1 305.306 1.641 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291211951 278747623 /nfs/dbraw/zinc/74/76/23/278747623.db2.gz VGTPASBJJUTKPF-TZMCWYRMSA-N 1 1 306.366 1.598 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358063746 299062443 /nfs/dbraw/zinc/06/24/43/299062443.db2.gz ZXMZVNHOGRTVFK-MRXNPFEDSA-N 1 1 321.377 1.316 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362072668 300000628 /nfs/dbraw/zinc/00/06/28/300000628.db2.gz PLYQHHQFKHGCMC-NWDGAFQWSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362072668 300000630 /nfs/dbraw/zinc/00/06/30/300000630.db2.gz PLYQHHQFKHGCMC-NWDGAFQWSA-N 1 1 307.350 1.402 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094664 300209480 /nfs/dbraw/zinc/20/94/80/300209480.db2.gz GGYUPMQZFODIRT-KBPBESRZSA-N 1 1 320.349 1.580 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364020014 300335569 /nfs/dbraw/zinc/33/55/69/300335569.db2.gz XKXIWJXPHMZODY-NEPJUHHUSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412262 301022511 /nfs/dbraw/zinc/02/25/11/301022511.db2.gz RMJWPXATFKIWBM-BXUZGUMPSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412262 301022513 /nfs/dbraw/zinc/02/25/13/301022513.db2.gz RMJWPXATFKIWBM-BXUZGUMPSA-N 1 1 319.361 1.687 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964174 301111232 /nfs/dbraw/zinc/11/12/32/301111232.db2.gz NDCQJJJAVVZLIA-HUBLWGQQSA-N 1 1 319.361 1.559 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]3(CCCCO3)C2)c1 ZINC000370095056 301274930 /nfs/dbraw/zinc/27/49/30/301274930.db2.gz RDARFGGVVWUZON-LSDHHAIUSA-N 1 1 324.381 1.187 20 5 DDBDMO CCc1nn(C)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000376171962 302044874 /nfs/dbraw/zinc/04/48/74/302044874.db2.gz ARJGVZUQQKRPEE-FOSCPWQOSA-N 1 1 307.398 1.952 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377661493 302206160 /nfs/dbraw/zinc/20/61/60/302206160.db2.gz GNNGYDXFCZPOAH-CQSZACIVSA-N 1 1 307.350 1.320 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000377967918 302258751 /nfs/dbraw/zinc/25/87/51/302258751.db2.gz SFUOPOIIBMYPHT-AWEZNQCLSA-N 1 1 302.334 1.945 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000536033841 303354298 /nfs/dbraw/zinc/35/42/98/303354298.db2.gz BTWOFIRRTHGLGH-ZDUSSCGKSA-N 1 1 300.318 1.839 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000536033841 303354301 /nfs/dbraw/zinc/35/43/01/303354301.db2.gz BTWOFIRRTHGLGH-ZDUSSCGKSA-N 1 1 300.318 1.839 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000373312509 307184427 /nfs/dbraw/zinc/18/44/27/307184427.db2.gz BCLKOHYOMWYISK-UHFFFAOYSA-N 1 1 321.381 1.439 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000521899240 307470484 /nfs/dbraw/zinc/47/04/84/307470484.db2.gz PGNOZKSVUAZTHT-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000579190162 308512813 /nfs/dbraw/zinc/51/28/13/308512813.db2.gz XUMVAABHFCKZEQ-ZDUSSCGKSA-N 1 1 321.377 1.537 20 5 DDBDMO NC(=O)c1c[nH+]ccc1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000584026424 331585353 /nfs/dbraw/zinc/58/53/53/331585353.db2.gz KESQFTCPWACUER-UHFFFAOYSA-N 1 1 314.301 1.488 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000582853776 337210669 /nfs/dbraw/zinc/21/06/69/337210669.db2.gz LQKSSBKHMOUVHB-LBPRGKRZSA-N 1 1 323.397 1.013 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295590751 534335186 /nfs/dbraw/zinc/33/51/86/534335186.db2.gz WMLXICCTHVVEFC-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000157431984 527414814 /nfs/dbraw/zinc/41/48/14/527414814.db2.gz YEEYQQYOWLFYED-UHFFFAOYSA-N 1 1 321.406 1.671 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302573015 528310604 /nfs/dbraw/zinc/31/06/04/528310604.db2.gz ZMOKGLQWKMZSSU-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO CC[N@H+](CC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000112200107 696648870 /nfs/dbraw/zinc/64/88/70/696648870.db2.gz UVVCJJLHJRHDMD-UHFFFAOYSA-N 1 1 303.318 1.880 20 5 DDBDMO CC[N@@H+](CC1CC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000112200107 696648872 /nfs/dbraw/zinc/64/88/72/696648872.db2.gz UVVCJJLHJRHDMD-UHFFFAOYSA-N 1 1 303.318 1.880 20 5 DDBDMO Cc1nn(C[N@H+]2CCCOC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000772828103 697682931 /nfs/dbraw/zinc/68/29/31/697682931.db2.gz XLRSMOJXPFEVCX-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@@H+]2CCCOC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000772828103 697682934 /nfs/dbraw/zinc/68/29/34/697682934.db2.gz XLRSMOJXPFEVCX-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO CO[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749949460 700194027 /nfs/dbraw/zinc/19/40/27/700194027.db2.gz FFSQZPZKGSGUKJ-GFCCVEGCSA-N 1 1 305.338 1.716 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749949460 700194029 /nfs/dbraw/zinc/19/40/29/700194029.db2.gz FFSQZPZKGSGUKJ-GFCCVEGCSA-N 1 1 305.338 1.716 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582147 698121254 /nfs/dbraw/zinc/12/12/54/698121254.db2.gz RKFKOZGLDACWKR-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582147 698121255 /nfs/dbraw/zinc/12/12/55/698121255.db2.gz RKFKOZGLDACWKR-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586966 698122568 /nfs/dbraw/zinc/12/25/68/698122568.db2.gz RTDPGTMBFZCJDY-DZGCQCFKSA-N 1 1 308.334 1.513 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000750094033 700203523 /nfs/dbraw/zinc/20/35/23/700203523.db2.gz MMXWKXNHSIZDKF-NEPJUHHUSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000750094033 700203526 /nfs/dbraw/zinc/20/35/26/700203526.db2.gz MMXWKXNHSIZDKF-NEPJUHHUSA-N 1 1 320.267 1.627 20 5 DDBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000780394347 698515239 /nfs/dbraw/zinc/51/52/39/698515239.db2.gz JVJKOPNVYNQDBP-LLVKDONJSA-N 1 1 307.350 1.905 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000782525580 698734190 /nfs/dbraw/zinc/73/41/90/698734190.db2.gz YPTXGEYFYZZIBP-LLVKDONJSA-N 1 1 324.356 1.698 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000782525580 698734195 /nfs/dbraw/zinc/73/41/95/698734195.db2.gz YPTXGEYFYZZIBP-LLVKDONJSA-N 1 1 324.356 1.698 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000782525580 698734199 /nfs/dbraw/zinc/73/41/99/698734199.db2.gz YPTXGEYFYZZIBP-LLVKDONJSA-N 1 1 324.356 1.698 20 5 DDBDMO CCC[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726589820 699369569 /nfs/dbraw/zinc/36/95/69/699369569.db2.gz PEDWEWXLNPUGJH-UHFFFAOYSA-N 1 1 306.322 1.663 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000732060747 699545023 /nfs/dbraw/zinc/54/50/23/699545023.db2.gz SUGPUZJHEZENTE-NSHDSACASA-N 1 1 317.349 1.012 20 5 DDBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791366556 699627387 /nfs/dbraw/zinc/62/73/87/699627387.db2.gz JRRFNLBNOZIKKY-CQSZACIVSA-N 1 1 324.356 1.728 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791366556 699627388 /nfs/dbraw/zinc/62/73/88/699627388.db2.gz JRRFNLBNOZIKKY-CQSZACIVSA-N 1 1 324.356 1.728 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000733999593 699631695 /nfs/dbraw/zinc/63/16/95/699631695.db2.gz QVIAGVWWXAKXFH-UHFFFAOYSA-N 1 1 307.350 1.752 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000741721809 699848873 /nfs/dbraw/zinc/84/88/73/699848873.db2.gz CQUXNWNRGOJRKG-NEPJUHHUSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000741721812 699848914 /nfs/dbraw/zinc/84/89/14/699848914.db2.gz CQUXNWNRGOJRKG-RYUDHWBXSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803525 700389106 /nfs/dbraw/zinc/38/91/06/700389106.db2.gz JNMLIZQRTPCRKH-ZYHUDNBSSA-N 1 1 319.365 1.841 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000755921156 700592537 /nfs/dbraw/zinc/59/25/37/700592537.db2.gz KMBCAAZGTTZBMM-NSHDSACASA-N 1 1 312.333 1.970 20 5 DDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761400963 700859075 /nfs/dbraw/zinc/85/90/75/700859075.db2.gz CPDBIUITCAKNLY-CYBMUJFWSA-N 1 1 323.349 1.174 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761400963 700859076 /nfs/dbraw/zinc/85/90/76/700859076.db2.gz CPDBIUITCAKNLY-CYBMUJFWSA-N 1 1 323.349 1.174 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636456 701762015 /nfs/dbraw/zinc/76/20/15/701762015.db2.gz SJTBTCKHEMACLK-GXTWGEPZSA-N 1 1 307.350 1.038 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839718434 701796122 /nfs/dbraw/zinc/79/61/22/701796122.db2.gz POWFVVJUBHXFIP-RRCSTGOVSA-N 1 1 317.389 1.773 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000868062302 701920476 /nfs/dbraw/zinc/92/04/76/701920476.db2.gz KJWFUVRYWCCNCI-ZIAGYGMSSA-N 1 1 318.377 1.830 20 5 DDBDMO Cc1cnc(N2CCC(N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866212279 706650513 /nfs/dbraw/zinc/65/05/13/706650513.db2.gz KHPRKZCHYFWXTN-UHFFFAOYSA-N 1 1 319.409 1.514 20 5 DDBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000845767385 703198134 /nfs/dbraw/zinc/19/81/34/703198134.db2.gz JLOOTIOGDHQJSA-UHFFFAOYSA-N 1 1 323.393 1.688 20 5 DDBDMO COC[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870892154 704159242 /nfs/dbraw/zinc/15/92/42/704159242.db2.gz NUYCNQAQOCTLRN-XHDPSFHLSA-N 1 1 307.350 1.264 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000853688423 704300036 /nfs/dbraw/zinc/30/00/36/704300036.db2.gz NXDDVZRKHGEOFB-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643232 704431980 /nfs/dbraw/zinc/43/19/80/704431980.db2.gz SEOIQYUICYJEOH-CHWSQXEVSA-N 1 1 313.398 1.144 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000860165933 705121048 /nfs/dbraw/zinc/12/10/48/705121048.db2.gz DDIFJIXPNJVLRH-VXGBXAGGSA-N 1 1 306.318 1.598 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278616 705967269 /nfs/dbraw/zinc/96/72/69/705967269.db2.gz XLANGEAKKQFEIA-YPMHNXCESA-N 1 1 318.377 1.803 20 5 DDBDMO CCOC(=O)[C@H](F)C1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877549308 706139410 /nfs/dbraw/zinc/13/94/10/706139410.db2.gz BOAZXPXFDZHEPW-CQSZACIVSA-N 1 1 310.325 1.970 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000866948395 706853073 /nfs/dbraw/zinc/85/30/73/706853073.db2.gz HYMJYRDYVMHIAX-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832976322 706998884 /nfs/dbraw/zinc/99/88/84/706998884.db2.gz ZHVXLQBETNKYLX-WFASDCNBSA-N 1 1 323.393 1.865 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000882481239 707651711 /nfs/dbraw/zinc/65/17/11/707651711.db2.gz AARWEMUGVOGANQ-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000882485909 707656918 /nfs/dbraw/zinc/65/69/18/707656918.db2.gz MHJSAEHKBLOMNM-JTQLQIEISA-N 1 1 311.313 1.323 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882504009 707670776 /nfs/dbraw/zinc/67/07/76/707670776.db2.gz HZFLVJXSDLLZID-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1F ZINC000839412499 708046910 /nfs/dbraw/zinc/04/69/10/708046910.db2.gz VCLLUWKXOZCPOZ-MFKMUULPSA-N 1 1 307.325 1.818 20 5 DDBDMO Cc1cccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897220930 708258754 /nfs/dbraw/zinc/25/87/54/708258754.db2.gz ZSKMHWBJKIKQDQ-UONOGXRCSA-N 1 1 305.378 1.939 20 5 DDBDMO Cc1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897222603 708259883 /nfs/dbraw/zinc/25/98/83/708259883.db2.gz WCXCMIPNHGEWCN-ZIAGYGMSSA-N 1 1 305.378 1.939 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000886021128 708682573 /nfs/dbraw/zinc/68/25/73/708682573.db2.gz PJVCUCHRJZEGKR-CYBMUJFWSA-N 1 1 306.366 1.144 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000886021128 708682575 /nfs/dbraw/zinc/68/25/75/708682575.db2.gz PJVCUCHRJZEGKR-CYBMUJFWSA-N 1 1 306.366 1.144 20 5 DDBDMO CC(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000886111788 708700357 /nfs/dbraw/zinc/70/03/57/708700357.db2.gz IXTCTVRZNIRTCA-ZDUSSCGKSA-N 1 1 306.366 1.726 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000886297668 708737926 /nfs/dbraw/zinc/73/79/26/708737926.db2.gz XDYGBMJOSWHDMD-CQSZACIVSA-N 1 1 321.377 1.743 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900160821 709311492 /nfs/dbraw/zinc/31/14/92/709311492.db2.gz ZUNCBDSAYAKBDW-INIZCTEOSA-N 1 1 321.377 1.400 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000892938458 710528722 /nfs/dbraw/zinc/52/87/22/710528722.db2.gz FQWQTZQLYOJVAF-UHFFFAOYSA-N 1 1 314.363 1.269 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000928445237 713199680 /nfs/dbraw/zinc/19/96/80/713199680.db2.gz PQLCXAPPUCZAIA-RISCZKNCSA-N 1 1 316.361 1.758 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000912030202 711133094 /nfs/dbraw/zinc/13/30/94/711133094.db2.gz AYMIKHFBKSBJJM-ZDUSSCGKSA-N 1 1 308.382 1.736 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000928568250 713231801 /nfs/dbraw/zinc/23/18/01/713231801.db2.gz KGARYNUWIXEKOG-LBPRGKRZSA-N 1 1 304.350 1.603 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000928568250 713231802 /nfs/dbraw/zinc/23/18/02/713231802.db2.gz KGARYNUWIXEKOG-LBPRGKRZSA-N 1 1 304.350 1.603 20 5 DDBDMO CCOc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928568935 713232480 /nfs/dbraw/zinc/23/24/80/713232480.db2.gz QHDRWTMDKOWJPY-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO CCOc1cc(C(=O)NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928568935 713232483 /nfs/dbraw/zinc/23/24/83/713232483.db2.gz QHDRWTMDKOWJPY-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000894958776 711339573 /nfs/dbraw/zinc/33/95/73/711339573.db2.gz QSTWVSMZRLAQHA-UHFFFAOYSA-N 1 1 306.366 1.113 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCCCO)CC2)s1 ZINC000894964652 711341969 /nfs/dbraw/zinc/34/19/69/711341969.db2.gz UJTKIQZOOVEJTG-UHFFFAOYSA-N 1 1 300.384 1.336 20 5 DDBDMO Nc1ccc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc1[N+](=O)[O-] ZINC000895567627 711544310 /nfs/dbraw/zinc/54/43/10/711544310.db2.gz GFEKGOCBMAVIJC-MNOVXSKESA-N 1 1 309.395 1.564 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896564694 711753316 /nfs/dbraw/zinc/75/33/16/711753316.db2.gz RMMPEWVQQXOFSJ-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568491 711754644 /nfs/dbraw/zinc/75/46/44/711754644.db2.gz NLSJDHOVGYFGJI-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228691 713571701 /nfs/dbraw/zinc/57/17/01/713571701.db2.gz RBOJWTAZQKGVQU-HUUCEWRRSA-N 1 1 303.362 1.862 20 5 DDBDMO COc1cc(N[C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)cc(OC)c1 ZINC000930044352 713742706 /nfs/dbraw/zinc/74/27/06/713742706.db2.gz YTYSVBBAFHMVHF-GFCCVEGCSA-N 1 1 309.366 1.857 20 5 DDBDMO COc1cc(N[C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)cc(OC)c1 ZINC000930044352 713742710 /nfs/dbraw/zinc/74/27/10/713742710.db2.gz YTYSVBBAFHMVHF-GFCCVEGCSA-N 1 1 309.366 1.857 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931312893 714063190 /nfs/dbraw/zinc/06/31/90/714063190.db2.gz WBTCMOFXOMQMMW-ZACQAIPSSA-N 1 1 319.405 1.902 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000932647225 714374858 /nfs/dbraw/zinc/37/48/58/714374858.db2.gz NJGYNXUGYHKWID-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000934257580 714777041 /nfs/dbraw/zinc/77/70/41/714777041.db2.gz AMTVHBOVCKWFIH-HOTGVXAUSA-N 1 1 323.368 1.765 20 5 DDBDMO CN(CCNC(=O)CCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001100380399 739267087 /nfs/dbraw/zinc/26/70/87/739267087.db2.gz JURWWICNEHBMFT-UHFFFAOYSA-N 1 1 317.349 1.503 20 5 DDBDMO C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246699 740129818 /nfs/dbraw/zinc/12/98/18/740129818.db2.gz LBZJLXMFZLQIGH-YVLXSGLVSA-N 1 1 307.350 1.227 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035704414 751791008 /nfs/dbraw/zinc/79/10/08/751791008.db2.gz NLTRYIRYACEWGE-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001187926579 744636201 /nfs/dbraw/zinc/63/62/01/744636201.db2.gz LUGKYEHIOKDPJK-ZDUSSCGKSA-N 1 1 321.377 1.841 20 5 DDBDMO Cn1nccc1C1(O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001197458554 747179859 /nfs/dbraw/zinc/17/98/59/747179859.db2.gz JFKCGHRUKWRAAR-UHFFFAOYSA-N 1 1 316.361 1.812 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095605337 750072500 /nfs/dbraw/zinc/07/25/00/750072500.db2.gz GRZHEPACZWYXMB-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997770941 751268474 /nfs/dbraw/zinc/26/84/74/751268474.db2.gz CTXNTMXAEWUDOT-CHWSQXEVSA-N 1 1 324.406 1.137 20 5 DDBDMO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023989 762201970 /nfs/dbraw/zinc/20/19/70/762201970.db2.gz WLVSQIZRNPORGQ-FRRDWIJNSA-N 1 1 308.382 1.411 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023989 762201973 /nfs/dbraw/zinc/20/19/73/762201973.db2.gz WLVSQIZRNPORGQ-FRRDWIJNSA-N 1 1 308.382 1.411 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052079 762207039 /nfs/dbraw/zinc/20/70/39/762207039.db2.gz FXEDJRAZTCIFLJ-RRFJBIMHSA-N 1 1 324.425 1.702 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363324 761492618 /nfs/dbraw/zinc/49/26/18/761492618.db2.gz OBRLJHJUKFVBDN-NMFUWQPSSA-N 1 1 321.352 1.475 20 5 DDBDMO COc1ccc(C[C@H](C)n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001170306975 766258660 /nfs/dbraw/zinc/25/86/60/766258660.db2.gz CLBCISMBRLQAEE-JTQLQIEISA-N 1 1 317.349 1.542 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCn3nncc3C2)c([N+](=O)[O-])c1 ZINC001170350684 766279783 /nfs/dbraw/zinc/27/97/83/766279783.db2.gz CCLYZZUYHRZTDI-LLVKDONJSA-N 1 1 317.349 1.642 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCn3nncc3C2)c([N+](=O)[O-])c1 ZINC001170350684 766279789 /nfs/dbraw/zinc/27/97/89/766279789.db2.gz CCLYZZUYHRZTDI-LLVKDONJSA-N 1 1 317.349 1.642 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093788278 775079466 /nfs/dbraw/zinc/07/94/66/775079466.db2.gz WUYLUZXTUTZOEI-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093840711 775125643 /nfs/dbraw/zinc/12/56/43/775125643.db2.gz RHPGTPYDIKGRHE-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093953526 775263243 /nfs/dbraw/zinc/26/32/43/775263243.db2.gz ZWPKCZMUDIOJFX-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO C[N@@H+](CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001094853662 776504915 /nfs/dbraw/zinc/50/49/15/776504915.db2.gz TURCYHYZLNMXMG-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO CNC(=O)CC[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918261 776930840 /nfs/dbraw/zinc/93/08/40/776930840.db2.gz ZXDRJSBERIRREM-CQSZACIVSA-N 1 1 305.378 1.910 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230947 777063927 /nfs/dbraw/zinc/06/39/27/777063927.db2.gz GYMSYWLIQDHJTM-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230947 777063931 /nfs/dbraw/zinc/06/39/31/777063931.db2.gz GYMSYWLIQDHJTM-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101756985 777479979 /nfs/dbraw/zinc/47/99/79/777479979.db2.gz USPCWOUCYNPTTN-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO COC(=O)c1cc(-c2nnc(C[NH+](C)C)o2)cc([N+](=O)[O-])c1 ZINC001117260562 780698150 /nfs/dbraw/zinc/69/81/50/780698150.db2.gz MUMOWEGEWTXQJW-UHFFFAOYSA-N 1 1 306.278 1.493 20 5 DDBDMO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001266651169 836595223 /nfs/dbraw/zinc/59/52/23/836595223.db2.gz VTOHBRRYOPTRKN-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900783 837029045 /nfs/dbraw/zinc/02/90/45/837029045.db2.gz GDTAHGBAXUWVJE-FDAQZYERSA-N 1 1 307.394 1.444 20 5 DDBDMO CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900783 837029056 /nfs/dbraw/zinc/02/90/56/837029056.db2.gz GDTAHGBAXUWVJE-FDAQZYERSA-N 1 1 307.394 1.444 20 5 DDBDMO CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900783 837029069 /nfs/dbraw/zinc/02/90/69/837029069.db2.gz GDTAHGBAXUWVJE-FDAQZYERSA-N 1 1 307.394 1.444 20 5 DDBDMO CCOCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001270225966 842401119 /nfs/dbraw/zinc/40/11/19/842401119.db2.gz RONGOJUXPIPOFJ-CHWSQXEVSA-N 1 1 313.398 1.049 20 5 DDBDMO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC001326489242 861403168 /nfs/dbraw/zinc/40/31/68/861403168.db2.gz PLPNIQUVRHFISD-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1ccnc(N2CCN(c3[nH+]cccc3N)CC2)c1[N+](=O)[O-] ZINC001154782581 861447846 /nfs/dbraw/zinc/44/78/46/861447846.db2.gz STEPYRSPKSDNNM-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC001326757417 861593942 /nfs/dbraw/zinc/59/39/42/861593942.db2.gz ORBBTRDNVVILSJ-CQSZACIVSA-N 1 1 317.349 1.174 20 5 DDBDMO O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001272726442 846724059 /nfs/dbraw/zinc/72/40/59/846724059.db2.gz DHTVUNWODUCIES-JLZSLLGCSA-N 1 1 315.801 1.669 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863871 862524316 /nfs/dbraw/zinc/52/43/16/862524316.db2.gz JVPRZNIRYYQNEO-STQMWFEESA-N 1 1 305.382 1.476 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001124109340 859583719 /nfs/dbraw/zinc/58/37/19/859583719.db2.gz MLWUUPLRAARESF-FRRDWIJNSA-N 1 1 318.377 1.707 20 5 DDBDMO CCCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277001951 881571057 /nfs/dbraw/zinc/57/10/57/881571057.db2.gz JUUKRUOBFQUYJL-UHFFFAOYSA-N 1 1 309.370 1.257 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001156572219 863158613 /nfs/dbraw/zinc/15/86/13/863158613.db2.gz AYIXBXCVNVUGSF-ZETCQYMHSA-N 1 1 301.734 1.185 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])nc1Cl ZINC001157094856 863571637 /nfs/dbraw/zinc/57/16/37/863571637.db2.gz XQQDOTFWHOHYLX-UHFFFAOYSA-N 1 1 300.750 1.627 20 5 DDBDMO C[NH+](C)Cc1ncccc1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001225276894 881756238 /nfs/dbraw/zinc/75/62/38/881756238.db2.gz BNVPRQSNWCMMDU-OAHLLOKOSA-N 1 1 302.334 1.935 20 5 DDBDMO C[N@@H+](C1CN(c2nccc(Cl)c2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158726824 864861721 /nfs/dbraw/zinc/86/17/21/864861721.db2.gz UDFUAOPTSRRWEJ-VIFPVBQESA-N 1 1 312.757 1.553 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+]2C)n1 ZINC001160968042 866227895 /nfs/dbraw/zinc/22/78/95/866227895.db2.gz GGWCCRUHAHUCBB-LLVKDONJSA-N 1 1 322.369 1.548 20 5 DDBDMO COC(=O)N1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319846186 866335301 /nfs/dbraw/zinc/33/53/01/866335301.db2.gz SJBJPTRVMQWWOQ-CQSZACIVSA-N 1 1 323.349 1.402 20 5 DDBDMO COC(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319846186 866335323 /nfs/dbraw/zinc/33/53/23/866335323.db2.gz SJBJPTRVMQWWOQ-CQSZACIVSA-N 1 1 323.349 1.402 20 5 DDBDMO Cc1nn(CCC(=O)Nc2cc(C)[nH+]c(C)c2)c(C)c1[N+](=O)[O-] ZINC001319857730 866347971 /nfs/dbraw/zinc/34/79/71/866347971.db2.gz WJEUWVVNKJFBOK-UHFFFAOYSA-N 1 1 317.349 1.871 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001161493744 866710639 /nfs/dbraw/zinc/71/06/39/866710639.db2.gz HDTDJIHJANMAFS-LLVKDONJSA-N 1 1 321.381 1.185 20 5 DDBDMO CNc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(C)CC1 ZINC001161703311 866911783 /nfs/dbraw/zinc/91/17/83/866911783.db2.gz CLFSTWUQISZCTR-UHFFFAOYSA-N 1 1 308.386 1.081 20 5 DDBDMO Cc1[nH]c(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC001164181876 868997659 /nfs/dbraw/zinc/99/76/59/868997659.db2.gz LWMGOYMEWWRESI-UHFFFAOYSA-N 1 1 324.362 1.950 20 5 DDBDMO [NH3+][C@@H]1CN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CCC1(F)F ZINC001164322503 869125997 /nfs/dbraw/zinc/12/59/97/869125997.db2.gz BNLDUSDHLBAJOO-SSDOTTSWSA-N 1 1 308.672 1.054 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338298783 869909918 /nfs/dbraw/zinc/90/99/18/869909918.db2.gz WFESJUUPYXEGOR-AEJSXWLSSA-N 1 1 303.322 1.883 20 5 DDBDMO CN(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553538 870042625 /nfs/dbraw/zinc/04/26/25/870042625.db2.gz XUEVENUQZRSYCN-SOUVJXGZSA-N 1 1 307.394 1.947 20 5 DDBDMO C[NH+]1CCN(c2ncc(Nc3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC001203566302 870646367 /nfs/dbraw/zinc/64/63/67/870646367.db2.gz FJPSBMXDBFASMD-UHFFFAOYSA-N 1 1 315.337 1.275 20 5 DDBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC001301548340 871000767 /nfs/dbraw/zinc/00/07/67/871000767.db2.gz SLDBTNFWVOEGIV-UHFFFAOYSA-N 1 1 313.329 1.038 20 5 DDBDMO CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205223785 871440308 /nfs/dbraw/zinc/44/03/08/871440308.db2.gz HTQCXAIADCFXJE-HUUCEWRRSA-N 1 1 311.426 1.916 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4nn[nH]n4)C3)nc2c1 ZINC001308035714 871464778 /nfs/dbraw/zinc/46/47/78/871464778.db2.gz RULSHLPCYRZOIF-QMMMGPOBSA-N 1 1 315.293 1.239 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4nn[nH]n4)C3)nc2c1 ZINC001308035714 871464791 /nfs/dbraw/zinc/46/47/91/871464791.db2.gz RULSHLPCYRZOIF-QMMMGPOBSA-N 1 1 315.293 1.239 20 5 DDBDMO COc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001226581122 882521638 /nfs/dbraw/zinc/52/16/38/882521638.db2.gz LJSPLOPFWUNYTB-PLMOITTCSA-N 1 1 307.306 1.181 20 5 DDBDMO COc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ncc1[N+](=O)[O-] ZINC001226581122 882521656 /nfs/dbraw/zinc/52/16/56/882521656.db2.gz LJSPLOPFWUNYTB-PLMOITTCSA-N 1 1 307.306 1.181 20 5 DDBDMO Cn1c2ccccc2c(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1=O ZINC001342847171 872411950 /nfs/dbraw/zinc/41/19/50/872411950.db2.gz JHIGGHMFEHKLIE-UHFFFAOYSA-N 1 1 316.361 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001345491712 873422238 /nfs/dbraw/zinc/42/22/38/873422238.db2.gz PILBQZUMSUJYME-RISCZKNCSA-N 1 1 304.350 1.230 20 5 DDBDMO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001345719708 873488372 /nfs/dbraw/zinc/48/83/72/873488372.db2.gz PHZLXQIRIZAJEB-FZMZJTMJSA-N 1 1 321.381 1.351 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001350089623 875530178 /nfs/dbraw/zinc/53/01/78/875530178.db2.gz VSHCNEHRKXSEJC-AEGPPILISA-N 1 1 303.362 1.594 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC001350262651 875602360 /nfs/dbraw/zinc/60/23/60/875602360.db2.gz QFXRDZHYHUEINF-UONOGXRCSA-N 1 1 320.349 1.186 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001353890948 877633505 /nfs/dbraw/zinc/63/35/05/877633505.db2.gz AUHQEYQEAUPPBR-NSHDSACASA-N 1 1 309.370 1.127 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@@H+](C)C1 ZINC001222772313 880692359 /nfs/dbraw/zinc/69/23/59/880692359.db2.gz ALTRDJSUZIZNOL-LLVKDONJSA-N 1 1 308.334 1.992 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001291813942 913582629 /nfs/dbraw/zinc/58/26/29/913582629.db2.gz XHKACDQGCZOBCN-JTQLQIEISA-N 1 1 320.353 1.057 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](F)[C@@H](O)C3)CC2)cc1 ZINC001254476030 896456008 /nfs/dbraw/zinc/45/60/08/896456008.db2.gz JRDYLFDMQZAHSL-HOTGVXAUSA-N 1 1 323.368 1.968 20 5 DDBDMO [NH3+]CCCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254579038 896510888 /nfs/dbraw/zinc/51/08/88/896510888.db2.gz PCPUHXQBRAAPOE-MRXNPFEDSA-N 1 1 304.394 1.028 20 5 DDBDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595843 896522431 /nfs/dbraw/zinc/52/24/31/896522431.db2.gz NROYCEFNRULGKJ-VPSFDDGASA-N 1 1 318.373 1.940 20 5 DDBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595843 896522440 /nfs/dbraw/zinc/52/24/40/896522440.db2.gz NROYCEFNRULGKJ-VPSFDDGASA-N 1 1 318.373 1.940 20 5 DDBDMO CS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601270 896524921 /nfs/dbraw/zinc/52/49/21/896524921.db2.gz XGZGQMQVTBZCOU-KBPBESRZSA-N 1 1 310.375 1.181 20 5 DDBDMO CS(=O)(=O)[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601270 896524934 /nfs/dbraw/zinc/52/49/34/896524934.db2.gz XGZGQMQVTBZCOU-KBPBESRZSA-N 1 1 310.375 1.181 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603447 896527559 /nfs/dbraw/zinc/52/75/59/896527559.db2.gz NGPTYYNHPHAOIR-GDBMZVCRSA-N 1 1 317.345 1.636 20 5 DDBDMO CC[N@@H+](CCN1CCOCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604291 896527879 /nfs/dbraw/zinc/52/78/79/896527879.db2.gz UTASZJAONNSAEZ-KRWDZBQOSA-N 1 1 319.405 1.716 20 5 DDBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000248780735 282108236 /nfs/dbraw/zinc/10/82/36/282108236.db2.gz WKGPRRHWSMEWIA-NWDGAFQWSA-N 1 1 309.370 1.028 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816305 231064815 /nfs/dbraw/zinc/06/48/15/231064815.db2.gz ADQQDBQSJZQXCX-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451925287 231235999 /nfs/dbraw/zinc/23/59/99/231235999.db2.gz GCWKSPBCOGYDRP-HNNXBMFYSA-N 1 1 310.350 1.434 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272739 529465087 /nfs/dbraw/zinc/46/50/87/529465087.db2.gz YXKIKJUWEHJHEG-JTQLQIEISA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272739 529465088 /nfs/dbraw/zinc/46/50/88/529465088.db2.gz YXKIKJUWEHJHEG-JTQLQIEISA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272739 529465089 /nfs/dbraw/zinc/46/50/89/529465089.db2.gz YXKIKJUWEHJHEG-JTQLQIEISA-N 1 1 307.354 1.189 20 5 DDBDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315463 230362674 /nfs/dbraw/zinc/36/26/74/230362674.db2.gz QPCFGKMJVSJFRL-WBMJQRKESA-N 1 1 324.377 1.365 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000279747936 215111353 /nfs/dbraw/zinc/11/13/53/215111353.db2.gz PWFRPSRMRXDUEQ-CYBMUJFWSA-N 1 1 324.402 1.994 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000279747936 215111357 /nfs/dbraw/zinc/11/13/57/215111357.db2.gz PWFRPSRMRXDUEQ-CYBMUJFWSA-N 1 1 324.402 1.994 20 5 DDBDMO Cc1ccnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000265146244 186340256 /nfs/dbraw/zinc/34/02/56/186340256.db2.gz ABOSTBCAKNVYCO-NSHDSACASA-N 1 1 307.354 1.050 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000008319280 352134138 /nfs/dbraw/zinc/13/41/38/352134138.db2.gz RRRHZGXLVHAMFW-UHFFFAOYSA-N 1 1 323.397 1.775 20 5 DDBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000026711238 352210683 /nfs/dbraw/zinc/21/06/83/352210683.db2.gz RNABSOVOMPQBII-YRGRVCCFSA-N 1 1 310.350 1.444 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000045522171 352414146 /nfs/dbraw/zinc/41/41/46/352414146.db2.gz GQEDHLAJVVZFPU-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CO)CC1 ZINC000052807717 352626725 /nfs/dbraw/zinc/62/67/25/352626725.db2.gz AZQZQVWGWVIWTK-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO CC[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173010436 198177343 /nfs/dbraw/zinc/17/73/43/198177343.db2.gz PSXWYJQYPXNZNB-UHFFFAOYSA-N 1 1 306.366 1.195 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491576002 234207157 /nfs/dbraw/zinc/20/71/57/234207157.db2.gz LFQCMKMOISSGNY-YVMONPNESA-N 1 1 307.350 1.302 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CNC(C)=O)CC1 ZINC000061046283 352884117 /nfs/dbraw/zinc/88/41/17/352884117.db2.gz VNQLCLCLESONDV-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000067752175 353065387 /nfs/dbraw/zinc/06/53/87/353065387.db2.gz CNVPQPJJQQRVMF-UHFFFAOYSA-N 1 1 319.361 1.771 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000068800102 353131494 /nfs/dbraw/zinc/13/14/94/353131494.db2.gz VCTSFLLQJXTGHQ-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000074763914 353329673 /nfs/dbraw/zinc/32/96/73/353329673.db2.gz DYFXIJSIVIRMPB-UHFFFAOYSA-N 1 1 318.377 1.627 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471263 198338299 /nfs/dbraw/zinc/33/82/99/198338299.db2.gz CPYBYWFRSUECHU-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471263 198338301 /nfs/dbraw/zinc/33/83/01/198338301.db2.gz CPYBYWFRSUECHU-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471263 198338303 /nfs/dbraw/zinc/33/83/03/198338303.db2.gz CPYBYWFRSUECHU-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO Cc1cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078669263 353527580 /nfs/dbraw/zinc/52/75/80/353527580.db2.gz HVRBYRXYFJXEIE-CYBMUJFWSA-N 1 1 306.366 1.457 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000084259679 353719078 /nfs/dbraw/zinc/71/90/78/353719078.db2.gz CBXNSHIHRSKCQV-JKSUJKDBSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000088722097 353757722 /nfs/dbraw/zinc/75/77/22/353757722.db2.gz RBRXBCMKMKGATD-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090145725 353791598 /nfs/dbraw/zinc/79/15/98/353791598.db2.gz UCQUJUMGMYWQBC-OCCSQVGLSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090145725 353791601 /nfs/dbraw/zinc/79/16/01/353791601.db2.gz UCQUJUMGMYWQBC-OCCSQVGLSA-N 1 1 306.366 1.963 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000093342908 353896559 /nfs/dbraw/zinc/89/65/59/353896559.db2.gz ANSTWDJEZUYFLX-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000093342908 353896563 /nfs/dbraw/zinc/89/65/63/353896563.db2.gz ANSTWDJEZUYFLX-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000290864247 354445126 /nfs/dbraw/zinc/44/51/26/354445126.db2.gz YXEQSFCKIZFFQK-QMMMGPOBSA-N 1 1 319.159 1.009 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000319560818 354522320 /nfs/dbraw/zinc/52/23/20/354522320.db2.gz PEGUEGSAJUBZRW-NSHDSACASA-N 1 1 316.329 1.360 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216134 283032760 /nfs/dbraw/zinc/03/27/60/283032760.db2.gz IAARIYJUMISKAV-WDMOLILDSA-N 1 1 306.366 1.725 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405259991 354678057 /nfs/dbraw/zinc/67/80/57/354678057.db2.gz IKLAMLNJRUNUAM-QWHCGFSZSA-N 1 1 311.769 1.499 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@H]2C1 ZINC000585779648 354839688 /nfs/dbraw/zinc/83/96/88/354839688.db2.gz HPHVDOBKSKGTAJ-YGRLFVJLSA-N 1 1 306.366 1.200 20 5 DDBDMO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000589691931 355013270 /nfs/dbraw/zinc/01/32/70/355013270.db2.gz VSVHMCNSBGPMCY-UHFFFAOYSA-N 1 1 311.357 1.935 20 5 DDBDMO Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000589691931 355013273 /nfs/dbraw/zinc/01/32/73/355013273.db2.gz VSVHMCNSBGPMCY-UHFFFAOYSA-N 1 1 311.357 1.935 20 5 DDBDMO CCc1nn(C)c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000590141911 355053066 /nfs/dbraw/zinc/05/30/66/355053066.db2.gz JDIWNYZSVIIZLW-HNNXBMFYSA-N 1 1 307.398 1.813 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590442358 355096515 /nfs/dbraw/zinc/09/65/15/355096515.db2.gz FNKLKDCVNYVVSW-DGCLKSJQSA-N 1 1 305.334 1.380 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000590663818 355139833 /nfs/dbraw/zinc/13/98/33/355139833.db2.gz PRAROIVFINRYHH-GFCCVEGCSA-N 1 1 322.361 1.976 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591039604 355237436 /nfs/dbraw/zinc/23/74/36/355237436.db2.gz MLCUENHTSQEZCS-QMTHXVAHSA-N 1 1 323.349 1.387 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000591138796 355252966 /nfs/dbraw/zinc/25/29/66/355252966.db2.gz VLYGFVQSXJYMBI-CYBMUJFWSA-N 1 1 324.356 1.820 20 5 DDBDMO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[N@H+]1C ZINC000591505419 355322232 /nfs/dbraw/zinc/32/22/32/355322232.db2.gz JOFGMUYSXOJDRH-ZDUSSCGKSA-N 1 1 321.377 1.892 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000592330548 355560611 /nfs/dbraw/zinc/56/06/11/355560611.db2.gz BZQYOKKRKFFVJL-SKDRFNHKSA-N 1 1 317.349 1.671 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000592520416 355611184 /nfs/dbraw/zinc/61/11/84/355611184.db2.gz MOHQFHCVSMFXPP-DOMZBBRYSA-N 1 1 320.345 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000593025526 355773479 /nfs/dbraw/zinc/77/34/79/355773479.db2.gz XGOVCLJFMLCZIF-SECBINFHSA-N 1 1 304.306 1.955 20 5 DDBDMO CC(C)O[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055560 355781483 /nfs/dbraw/zinc/78/14/83/355781483.db2.gz LQBZPPXGOBDPGM-ZIAGYGMSSA-N 1 1 312.370 1.042 20 5 DDBDMO CC[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056741 355782974 /nfs/dbraw/zinc/78/29/74/355782974.db2.gz OLCVDUASFLFFDJ-WCQYABFASA-N 1 1 312.370 1.042 20 5 DDBDMO CC(C)(C)OC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000593075823 355787864 /nfs/dbraw/zinc/78/78/64/355787864.db2.gz VJXCHOGJGJLCFW-UHFFFAOYSA-N 1 1 324.381 1.845 20 5 DDBDMO CC(C)(C)OC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000593075823 355787865 /nfs/dbraw/zinc/78/78/65/355787865.db2.gz VJXCHOGJGJLCFW-UHFFFAOYSA-N 1 1 324.381 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CC([N@H+]4CC[C@@H](O)C4)C3)ccnc21 ZINC000593502475 355905706 /nfs/dbraw/zinc/90/57/06/355905706.db2.gz DIMZHIMFESLDNO-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H](C)O)C2CC2)c1 ZINC000594057485 356103002 /nfs/dbraw/zinc/10/30/02/356103002.db2.gz FXQSCHSXCNXLBB-SNVBAGLBSA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H](C)O)C2CC2)c1 ZINC000594057485 356103007 /nfs/dbraw/zinc/10/30/07/356103007.db2.gz FXQSCHSXCNXLBB-SNVBAGLBSA-N 1 1 308.334 1.727 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000594198976 356138528 /nfs/dbraw/zinc/13/85/28/356138528.db2.gz WXAPPBXZEBOZSJ-GHMZBOCLSA-N 1 1 307.354 1.075 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000595029780 356374388 /nfs/dbraw/zinc/37/43/88/356374388.db2.gz YNWJPIUWOGRKMZ-GFCCVEGCSA-N 1 1 323.393 1.711 20 5 DDBDMO CO[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC000595423135 356486310 /nfs/dbraw/zinc/48/63/10/356486310.db2.gz JNELLYZVTAEFPK-IAQYHMDHSA-N 1 1 307.350 1.399 20 5 DDBDMO CO[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC000595423135 356486313 /nfs/dbraw/zinc/48/63/13/356486313.db2.gz JNELLYZVTAEFPK-IAQYHMDHSA-N 1 1 307.350 1.399 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595596531 356568565 /nfs/dbraw/zinc/56/85/65/356568565.db2.gz NNNIOWTWJHDJHF-CQSZACIVSA-N 1 1 304.350 1.327 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595799952 356655789 /nfs/dbraw/zinc/65/57/89/356655789.db2.gz OECFGKUATXHVOP-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595799952 356655797 /nfs/dbraw/zinc/65/57/97/356655797.db2.gz OECFGKUATXHVOP-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC2(COC2)C1 ZINC000595834273 356670358 /nfs/dbraw/zinc/67/03/58/356670358.db2.gz NSALAYDGHVAMNV-UHFFFAOYSA-N 1 1 319.361 1.954 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347432741 283213019 /nfs/dbraw/zinc/21/30/19/283213019.db2.gz PEWDFBAAETUNTN-LBPRGKRZSA-N 1 1 321.381 1.132 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595925112 356707025 /nfs/dbraw/zinc/70/70/25/356707025.db2.gz VIXAVSMASGUWGK-SECBINFHSA-N 1 1 301.306 1.647 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596077825 356765292 /nfs/dbraw/zinc/76/52/92/356765292.db2.gz BVHPFDQEHHPFMH-UHFFFAOYSA-N 1 1 312.395 1.587 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242811 356829682 /nfs/dbraw/zinc/82/96/82/356829682.db2.gz ZKLKYILTWWOEJI-OAHLLOKOSA-N 1 1 304.350 1.226 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596431582 356877878 /nfs/dbraw/zinc/87/78/78/356877878.db2.gz PIFUYEXUJBQXSO-MNOVXSKESA-N 1 1 319.365 1.414 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596431582 356877879 /nfs/dbraw/zinc/87/78/79/356877879.db2.gz PIFUYEXUJBQXSO-MNOVXSKESA-N 1 1 319.365 1.414 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596308735 356852425 /nfs/dbraw/zinc/85/24/25/356852425.db2.gz MKOOVOQOIUEZDU-SNVBAGLBSA-N 1 1 306.366 1.978 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596308414 356852739 /nfs/dbraw/zinc/85/27/39/356852739.db2.gz RUHOIJJSXNYRRL-LBPRGKRZSA-N 1 1 308.382 1.954 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597856816 357359805 /nfs/dbraw/zinc/35/98/05/357359805.db2.gz AQPXHTWZPZPRBO-LLVKDONJSA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597857682 357359817 /nfs/dbraw/zinc/35/98/17/357359817.db2.gz IWXXRGVXQHZTPO-JTQLQIEISA-N 1 1 308.338 1.298 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597921533 357382467 /nfs/dbraw/zinc/38/24/67/357382467.db2.gz GUQYPEPFMXZTSX-JTQLQIEISA-N 1 1 323.397 1.873 20 5 DDBDMO COC(=O)c1ccnc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598587286 357642391 /nfs/dbraw/zinc/64/23/91/357642391.db2.gz OECSGIXGODAUMP-JTQLQIEISA-N 1 1 320.349 1.673 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598591343 357644631 /nfs/dbraw/zinc/64/46/31/357644631.db2.gz AANKBPMTJKVVKE-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559451 357631929 /nfs/dbraw/zinc/63/19/29/357631929.db2.gz HQSZQOOYZSSJRQ-LBPRGKRZSA-N 1 1 321.381 1.180 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000598560046 357632050 /nfs/dbraw/zinc/63/20/50/357632050.db2.gz JYWDGXRPYVQGBJ-ZDUSSCGKSA-N 1 1 318.377 1.842 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564177 357974986 /nfs/dbraw/zinc/97/49/86/357974986.db2.gz QCSUDTGDOJMBRO-NHYWBVRUSA-N 1 1 308.334 1.920 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562861 357975002 /nfs/dbraw/zinc/97/50/02/357975002.db2.gz IUINBVPKTOQQAR-OAHLLOKOSA-N 1 1 308.334 1.401 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568170 357977040 /nfs/dbraw/zinc/97/70/40/357977040.db2.gz QVEWEMFEVDZEMP-IAQYHMDHSA-N 1 1 308.334 1.920 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599939516 358086323 /nfs/dbraw/zinc/08/63/23/358086323.db2.gz WCQSNWKSFXQUOO-CHWSQXEVSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000600309517 358192049 /nfs/dbraw/zinc/19/20/49/358192049.db2.gz BBRQOJKGANVUFQ-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000600312970 358192916 /nfs/dbraw/zinc/19/29/16/358192916.db2.gz WHNXDRBKJSGGRI-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO Cn1c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600472773 358234539 /nfs/dbraw/zinc/23/45/39/358234539.db2.gz QIGCQVQDHVAZKR-GFCCVEGCSA-N 1 1 306.366 1.680 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180839746 199216280 /nfs/dbraw/zinc/21/62/80/199216280.db2.gz QKJOVRZAOWGIBF-JTQLQIEISA-N 1 1 321.333 1.395 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000601971330 358759638 /nfs/dbraw/zinc/75/96/38/358759638.db2.gz AKJXPMMUDPRTKY-TXEJJXNPSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974882 358761111 /nfs/dbraw/zinc/76/11/11/358761111.db2.gz SCSVDLMICGNQEI-UTUOFQBUSA-N 1 1 305.334 1.500 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974882 358761114 /nfs/dbraw/zinc/76/11/14/358761114.db2.gz SCSVDLMICGNQEI-UTUOFQBUSA-N 1 1 305.334 1.500 20 5 DDBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602789268 359193079 /nfs/dbraw/zinc/19/30/79/359193079.db2.gz UAVWXWIIFLQZOG-AWEZNQCLSA-N 1 1 318.381 1.979 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000602834800 359226651 /nfs/dbraw/zinc/22/66/51/359226651.db2.gz DBHAWFYFOGUPOM-HNNXBMFYSA-N 1 1 307.398 1.517 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000602820459 359214689 /nfs/dbraw/zinc/21/46/89/359214689.db2.gz LTESJEQZWRKCNU-UHFFFAOYSA-N 1 1 323.397 1.338 20 5 DDBDMO C[NH+](C)C[C@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891704 359275672 /nfs/dbraw/zinc/27/56/72/359275672.db2.gz OCGNFKMXSUEMIY-MRXNPFEDSA-N 1 1 307.394 1.526 20 5 DDBDMO C[NH+](C)C[C@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891704 359275675 /nfs/dbraw/zinc/27/56/75/359275675.db2.gz OCGNFKMXSUEMIY-MRXNPFEDSA-N 1 1 307.394 1.526 20 5 DDBDMO CN(C)C[C@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891704 359275680 /nfs/dbraw/zinc/27/56/80/359275680.db2.gz OCGNFKMXSUEMIY-MRXNPFEDSA-N 1 1 307.394 1.526 20 5 DDBDMO CN(C)C[C@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891704 359275684 /nfs/dbraw/zinc/27/56/84/359275684.db2.gz OCGNFKMXSUEMIY-MRXNPFEDSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000603400287 359616491 /nfs/dbraw/zinc/61/64/91/359616491.db2.gz FLZPXJUIRMSHJF-JTQLQIEISA-N 1 1 312.395 1.741 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000603400287 359616493 /nfs/dbraw/zinc/61/64/93/359616493.db2.gz FLZPXJUIRMSHJF-JTQLQIEISA-N 1 1 312.395 1.741 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000609269195 360286162 /nfs/dbraw/zinc/28/61/62/360286162.db2.gz NABOLXQAHSWWKM-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000610125850 360384209 /nfs/dbraw/zinc/38/42/09/360384209.db2.gz VDAQHTFAUZCQMM-RYUDHWBXSA-N 1 1 308.382 1.878 20 5 DDBDMO CN(C)C(=O)CC[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610756458 360529077 /nfs/dbraw/zinc/52/90/77/360529077.db2.gz PIPWEOYCUQKLPN-UHFFFAOYSA-N 1 1 312.395 1.257 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000611087917 360619128 /nfs/dbraw/zinc/61/91/28/360619128.db2.gz RYKHECUUQJXHHJ-LLVKDONJSA-N 1 1 309.370 1.042 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000611256836 360680962 /nfs/dbraw/zinc/68/09/62/360680962.db2.gz JCSZOHFHATYCQE-WDEREUQCSA-N 1 1 306.366 1.483 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611599957 360775145 /nfs/dbraw/zinc/77/51/45/360775145.db2.gz XIGYIXBDSCWHHY-LLVKDONJSA-N 1 1 305.338 1.018 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(O)CCC1 ZINC000612851996 361169440 /nfs/dbraw/zinc/16/94/40/361169440.db2.gz OSGXPSCNJISHSW-UHFFFAOYSA-N 1 1 308.334 1.713 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193359086 201036943 /nfs/dbraw/zinc/03/69/43/201036943.db2.gz ZYLHPDUEVNGNPL-NSHDSACASA-N 1 1 322.365 1.690 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000613233711 361341151 /nfs/dbraw/zinc/34/11/51/361341151.db2.gz XIWSRVOAGLCZLN-GFCCVEGCSA-N 1 1 318.377 1.851 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000359099309 299327953 /nfs/dbraw/zinc/32/79/53/299327953.db2.gz VFLMGVYXNSFZMO-GFCCVEGCSA-N 1 1 321.381 1.358 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000194012693 201162377 /nfs/dbraw/zinc/16/23/77/201162377.db2.gz HZYXTACCUJKJDT-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000194012693 201162380 /nfs/dbraw/zinc/16/23/80/201162380.db2.gz HZYXTACCUJKJDT-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194610356 201262261 /nfs/dbraw/zinc/26/22/61/201262261.db2.gz OZFAOLANAAEJNT-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000619578468 364070430 /nfs/dbraw/zinc/07/04/30/364070430.db2.gz JAGJCYPMKBWURJ-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275181037 212179098 /nfs/dbraw/zinc/17/90/98/212179098.db2.gz ARGFFRXZVYXYSP-ZOWXZIJZSA-N 1 1 320.345 1.530 20 5 DDBDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762893 296147014 /nfs/dbraw/zinc/14/70/14/296147014.db2.gz PDSGYYYLJNBECO-QWHCGFSZSA-N 1 1 321.425 1.464 20 5 DDBDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282765816 217234817 /nfs/dbraw/zinc/23/48/17/217234817.db2.gz UMYNLZPSGZCMPZ-UHFFFAOYSA-N 1 1 308.338 1.119 20 5 DDBDMO CN(CC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266248415 205214747 /nfs/dbraw/zinc/21/47/47/205214747.db2.gz RGIFFOOHNYQWLY-UHFFFAOYSA-N 1 1 306.366 1.195 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000041886255 183223355 /nfs/dbraw/zinc/22/33/55/183223355.db2.gz SKILIFDVMAGIDN-GFCCVEGCSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000337427438 249490937 /nfs/dbraw/zinc/49/09/37/249490937.db2.gz SWWNABANKIRICT-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000285222124 218339737 /nfs/dbraw/zinc/33/97/37/218339737.db2.gz PIRGBIOVEXPZQX-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000285352591 218394180 /nfs/dbraw/zinc/39/41/80/218394180.db2.gz ACMSNRVTKOAGIH-ZIAGYGMSSA-N 1 1 307.350 1.403 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000109849733 194294193 /nfs/dbraw/zinc/29/41/93/194294193.db2.gz CPEZCJMJBWHLBX-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO C[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000119932521 195064612 /nfs/dbraw/zinc/06/46/12/195064612.db2.gz XLGZBVCDSKOXIN-UHFFFAOYSA-N 1 1 303.322 1.392 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CC1CC1 ZINC000352457445 285063175 /nfs/dbraw/zinc/06/31/75/285063175.db2.gz DBMLLRXQHXUDPO-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO COCCOC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295890977 533125942 /nfs/dbraw/zinc/12/59/42/533125942.db2.gz BNDKKXHNLZETSW-MRXNPFEDSA-N 1 1 324.377 1.583 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000352657371 285201271 /nfs/dbraw/zinc/20/12/71/285201271.db2.gz ACMSNRVTKOAGIH-KBPBESRZSA-N 1 1 307.350 1.403 20 5 DDBDMO C[N@@H+]1CCCC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507876 781992641 /nfs/dbraw/zinc/99/26/41/781992641.db2.gz MCCBQCXNOWAOSR-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507876 781992646 /nfs/dbraw/zinc/99/26/46/781992646.db2.gz MCCBQCXNOWAOSR-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547228 533571923 /nfs/dbraw/zinc/57/19/23/533571923.db2.gz KOXZQPCGCBWWTQ-XJKSGUPXSA-N 1 1 322.361 1.698 20 5 DDBDMO Cc1ncsc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719588 406940810 /nfs/dbraw/zinc/94/08/10/406940810.db2.gz HOIOYHJYNOWGGM-LLVKDONJSA-N 1 1 311.367 1.049 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000084439776 407089515 /nfs/dbraw/zinc/08/95/15/407089515.db2.gz FLRAFWKUDPVDSS-SNVBAGLBSA-N 1 1 304.755 1.525 20 5 DDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000053184101 407164081 /nfs/dbraw/zinc/16/40/81/407164081.db2.gz LLVFBJDWNLBMER-UHFFFAOYSA-N 1 1 307.306 1.604 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063665531 407234609 /nfs/dbraw/zinc/23/46/09/407234609.db2.gz CZCUEHLJPYJDFA-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO COCCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066379247 407249803 /nfs/dbraw/zinc/24/98/03/407249803.db2.gz QJVWYCFTZCRQRO-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO COCCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066379247 407249804 /nfs/dbraw/zinc/24/98/04/407249804.db2.gz QJVWYCFTZCRQRO-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000128229881 407509150 /nfs/dbraw/zinc/50/91/50/407509150.db2.gz YYTFZCYLYUTHMD-LBPRGKRZSA-N 1 1 323.397 1.426 20 5 DDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188011 407550974 /nfs/dbraw/zinc/55/09/74/407550974.db2.gz FXFZWVBSSBXKJX-ZFWWWQNUSA-N 1 1 321.377 1.819 20 5 DDBDMO C[N@@H+](CCCOC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000271430736 407682172 /nfs/dbraw/zinc/68/21/72/407682172.db2.gz BDFWPFDWGSPNAC-UHFFFAOYSA-N 1 1 310.310 1.222 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186730284 407760304 /nfs/dbraw/zinc/76/03/04/407760304.db2.gz HGMXOVQJFNPJIN-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[N@@H+](C)C1CC1 ZINC000186746156 407762913 /nfs/dbraw/zinc/76/29/13/407762913.db2.gz BODBPJDMCAOSER-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186746156 407762918 /nfs/dbraw/zinc/76/29/18/407762918.db2.gz BODBPJDMCAOSER-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186746156 407762921 /nfs/dbraw/zinc/76/29/21/407762921.db2.gz BODBPJDMCAOSER-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCC[C@H](C)C1 ZINC000180530419 407898458 /nfs/dbraw/zinc/89/84/58/407898458.db2.gz TWUVZLYIPOEJHV-QWRGUYRKSA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272506523 407953908 /nfs/dbraw/zinc/95/39/08/407953908.db2.gz JHLUUSGATXIKIQ-JQWIXIFHSA-N 1 1 307.350 1.855 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506523 407953911 /nfs/dbraw/zinc/95/39/11/407953911.db2.gz JHLUUSGATXIKIQ-JQWIXIFHSA-N 1 1 307.350 1.855 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCC[C@@H]1O ZINC000272451906 407928355 /nfs/dbraw/zinc/92/83/55/407928355.db2.gz CHDQCEJBJNBSJL-OCCSQVGLSA-N 1 1 309.366 1.239 20 5 DDBDMO CCOC(=O)c1ccnc(N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000175047694 408039627 /nfs/dbraw/zinc/03/96/27/408039627.db2.gz UFURRJWMHSDGLX-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO Cc1nc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268439323 408044096 /nfs/dbraw/zinc/04/40/96/408044096.db2.gz CRWVLEBJWQRRHS-OAHLLOKOSA-N 1 1 321.425 1.982 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000175221342 408080277 /nfs/dbraw/zinc/08/02/77/408080277.db2.gz CZJCLYVWZDLIJD-LBPRGKRZSA-N 1 1 321.377 1.952 20 5 DDBDMO CCOCC[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137042346 408139248 /nfs/dbraw/zinc/13/92/48/408139248.db2.gz GZYDMGHXTHAYRX-MRXNPFEDSA-N 1 1 323.393 1.282 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000156333608 408252743 /nfs/dbraw/zinc/25/27/43/408252743.db2.gz FKOKSKWIAHDQNR-CQSZACIVSA-N 1 1 321.377 1.774 20 5 DDBDMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000263669702 408197374 /nfs/dbraw/zinc/19/73/74/408197374.db2.gz GEERNIQCDRVAPP-UHFFFAOYSA-N 1 1 321.337 1.654 20 5 DDBDMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000263669702 408197381 /nfs/dbraw/zinc/19/73/81/408197381.db2.gz GEERNIQCDRVAPP-UHFFFAOYSA-N 1 1 321.337 1.654 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Nc3ccccc3)C2)n1 ZINC000176226044 408315728 /nfs/dbraw/zinc/31/57/28/408315728.db2.gz BFZBMHZKZDSXEB-AWEZNQCLSA-N 1 1 301.350 1.978 20 5 DDBDMO CC1(C)C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)O1 ZINC000190532537 408271604 /nfs/dbraw/zinc/27/16/04/408271604.db2.gz STSZLECXVGUYQS-UHFFFAOYSA-N 1 1 309.366 1.646 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246556316 408288980 /nfs/dbraw/zinc/28/89/80/408288980.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 1 1 319.409 1.740 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000269446504 408312188 /nfs/dbraw/zinc/31/21/88/408312188.db2.gz FPEZMEOTWJAHEG-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000173898508 162374944 /nfs/dbraw/zinc/37/49/44/162374944.db2.gz BFXNMSWAUWAYDA-AWEZNQCLSA-N 1 1 307.350 1.274 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000173898508 162374945 /nfs/dbraw/zinc/37/49/45/162374945.db2.gz BFXNMSWAUWAYDA-AWEZNQCLSA-N 1 1 307.350 1.274 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274540234 408443586 /nfs/dbraw/zinc/44/35/86/408443586.db2.gz VXCFHNKNKYESMX-NSHDSACASA-N 1 1 323.397 1.873 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410910 408479863 /nfs/dbraw/zinc/47/98/63/408479863.db2.gz JNOAHRHTJIKRKO-GWCFXTLKSA-N 1 1 307.350 1.429 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000270356238 408501372 /nfs/dbraw/zinc/50/13/72/408501372.db2.gz ASNDKJZZAOKTMQ-NSHDSACASA-N 1 1 313.379 1.185 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191666779 408467314 /nfs/dbraw/zinc/46/73/14/408467314.db2.gz ALUDMJDUYGUVBR-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937111 408475267 /nfs/dbraw/zinc/47/52/67/408475267.db2.gz YQQDXZNBRGGCQF-KBPBESRZSA-N 1 1 309.366 1.382 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@H]21 ZINC000248404807 408560752 /nfs/dbraw/zinc/56/07/52/408560752.db2.gz AIGNUCMCBSSGLY-UQOMUDLDSA-N 1 1 308.382 1.663 20 5 DDBDMO Nc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000161926124 408652381 /nfs/dbraw/zinc/65/23/81/408652381.db2.gz OJQKNFJRHJVVPE-ZYHUDNBSSA-N 1 1 318.381 1.420 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248910870 408662577 /nfs/dbraw/zinc/66/25/77/408662577.db2.gz IXZDEASTPPHPHQ-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000194856057 408801302 /nfs/dbraw/zinc/80/13/02/408801302.db2.gz CTYSKZMVCOZWDY-OAHLLOKOSA-N 1 1 324.381 1.703 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000249737612 408759087 /nfs/dbraw/zinc/75/90/87/408759087.db2.gz GDHHXCFIRXVDHA-QWRGUYRKSA-N 1 1 322.365 1.546 20 5 DDBDMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290798890 408834167 /nfs/dbraw/zinc/83/41/67/408834167.db2.gz PIGADPSQTIYVMJ-LBPRGKRZSA-N 1 1 324.333 1.215 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C1 ZINC000281611732 408896515 /nfs/dbraw/zinc/89/65/15/408896515.db2.gz ZEULRBKZEWHTSF-UWVGGRQHSA-N 1 1 312.345 1.207 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000187807043 163028130 /nfs/dbraw/zinc/02/81/30/163028130.db2.gz ZGOFVNJCMWRHLN-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000277403681 408934110 /nfs/dbraw/zinc/93/41/10/408934110.db2.gz HGBSJXOSWCHGSQ-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CO ZINC000292159433 408992105 /nfs/dbraw/zinc/99/21/05/408992105.db2.gz KVUAASOGJPVKJZ-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)CO ZINC000292159433 408992106 /nfs/dbraw/zinc/99/21/06/408992106.db2.gz KVUAASOGJPVKJZ-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000293269504 409079739 /nfs/dbraw/zinc/07/97/39/409079739.db2.gz UVCJSIJUAHKHBZ-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000293269504 409079741 /nfs/dbraw/zinc/07/97/41/409079741.db2.gz UVCJSIJUAHKHBZ-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000293284731 409081879 /nfs/dbraw/zinc/08/18/79/409081879.db2.gz OIYLTMGAHWJKOC-ZDUSSCGKSA-N 1 1 324.337 1.753 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1[N+](=O)[O-] ZINC000293327969 409090296 /nfs/dbraw/zinc/09/02/96/409090296.db2.gz IWNZLWPGLPHUML-UWVGGRQHSA-N 1 1 307.354 1.094 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287785756 409093394 /nfs/dbraw/zinc/09/33/94/409093394.db2.gz IPUBHGGBBWSBHR-SNVBAGLBSA-N 1 1 310.354 1.919 20 5 DDBDMO COCC[N@@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287950372 409120681 /nfs/dbraw/zinc/12/06/81/409120681.db2.gz QKOAPISFCMVTCR-UHFFFAOYSA-N 1 1 311.367 1.590 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294036473 409229668 /nfs/dbraw/zinc/22/96/68/409229668.db2.gz SAZXQLCBLCQXID-PHIMTYICSA-N 1 1 309.370 1.041 20 5 DDBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000295268652 409405316 /nfs/dbraw/zinc/40/53/16/409405316.db2.gz GQWAHMGUYWWICI-LBPRGKRZSA-N 1 1 321.381 1.124 20 5 DDBDMO C[N@@H+](CCCN1C(=O)CNC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000285275935 409409210 /nfs/dbraw/zinc/40/92/10/409409210.db2.gz JBUYZHHPFNFERW-UHFFFAOYSA-N 1 1 320.349 1.011 20 5 DDBDMO CS[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233494 409473855 /nfs/dbraw/zinc/47/38/55/409473855.db2.gz KTIWJEMKZCPREF-VXGBXAGGSA-N 1 1 312.391 1.772 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000408152233 164244215 /nfs/dbraw/zinc/24/42/15/164244215.db2.gz XYFPPJVIXAGOHZ-UHFFFAOYSA-N 1 1 304.350 1.609 20 5 DDBDMO Cc1nc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000296283249 409488096 /nfs/dbraw/zinc/48/80/96/409488096.db2.gz HJTWFIQALTXGRP-CYBMUJFWSA-N 1 1 322.413 1.377 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)nc1 ZINC000331461070 409533910 /nfs/dbraw/zinc/53/39/10/409533910.db2.gz JJJPGOIZHQZKRY-QWHCGFSZSA-N 1 1 306.366 1.903 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356902455 409708316 /nfs/dbraw/zinc/70/83/16/409708316.db2.gz OBNIIWBQXAHEPV-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356902455 409708327 /nfs/dbraw/zinc/70/83/27/409708327.db2.gz OBNIIWBQXAHEPV-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297065970 409784433 /nfs/dbraw/zinc/78/44/33/409784433.db2.gz LCJTUYJGNGOOHX-UHFFFAOYSA-N 1 1 316.361 1.758 20 5 DDBDMO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000297076868 409791901 /nfs/dbraw/zinc/79/19/01/409791901.db2.gz LTURFUSTWGHPGO-UHFFFAOYSA-N 1 1 323.349 1.434 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000354385213 409813918 /nfs/dbraw/zinc/81/39/18/409813918.db2.gz CTOWRJJSCWJBOP-AAEUAGOBSA-N 1 1 323.397 1.431 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000354385290 409814599 /nfs/dbraw/zinc/81/45/99/409814599.db2.gz CTOWRJJSCWJBOP-DGCLKSJQSA-N 1 1 323.397 1.431 20 5 DDBDMO C[C@H](O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354731846 410046790 /nfs/dbraw/zinc/04/67/90/410046790.db2.gz LQVQSNXHKQEYIB-ZDUSSCGKSA-N 1 1 321.377 1.514 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000346636820 410050099 /nfs/dbraw/zinc/05/00/99/410050099.db2.gz HYRLTIBECBWALE-NEPJUHHUSA-N 1 1 308.334 1.857 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332335455 410074855 /nfs/dbraw/zinc/07/48/55/410074855.db2.gz RBIXKICKSSNGLK-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332335455 410074857 /nfs/dbraw/zinc/07/48/57/410074857.db2.gz RBIXKICKSSNGLK-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CCc3n[nH]nc3C2)c2c(c1)COCO2 ZINC000351608797 410101914 /nfs/dbraw/zinc/10/19/14/410101914.db2.gz OBPWGIJOQARCFU-UHFFFAOYSA-N 1 1 317.305 1.138 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000298740126 410375451 /nfs/dbraw/zinc/37/54/51/410375451.db2.gz JRXXWSXETJSNSS-UHFFFAOYSA-N 1 1 321.333 1.144 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC[C@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782707 410457643 /nfs/dbraw/zinc/45/76/43/410457643.db2.gz HESNXNCXLGUGCK-LSDHHAIUSA-N 1 1 319.361 1.547 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000343538596 410515842 /nfs/dbraw/zinc/51/58/42/410515842.db2.gz CHXKJNGNBQDXCA-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000343600610 410564989 /nfs/dbraw/zinc/56/49/89/410564989.db2.gz DNECLYPHESCCPF-NSHDSACASA-N 1 1 313.379 1.140 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000343600610 410564995 /nfs/dbraw/zinc/56/49/95/410564995.db2.gz DNECLYPHESCCPF-NSHDSACASA-N 1 1 313.379 1.140 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O ZINC000352232821 410567220 /nfs/dbraw/zinc/56/72/20/410567220.db2.gz WJQPJCRYFYEZNS-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO O=C(CCN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000359305964 410593638 /nfs/dbraw/zinc/59/36/38/410593638.db2.gz MHMFQNWKKZXTNC-VXGBXAGGSA-N 1 1 304.350 1.075 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000347534902 410601367 /nfs/dbraw/zinc/60/13/67/410601367.db2.gz ZSUSDZOMYRKDBF-WDEREUQCSA-N 1 1 309.370 1.273 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000300405246 410643174 /nfs/dbraw/zinc/64/31/74/410643174.db2.gz JFLGLJUACKKVPX-GXSJLCMTSA-N 1 1 312.757 1.918 20 5 DDBDMO Cc1nn(C)c(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000301307840 410695698 /nfs/dbraw/zinc/69/56/98/410695698.db2.gz ZYQSKKFDPZYRBL-CYBMUJFWSA-N 1 1 323.397 1.185 20 5 DDBDMO CC[C@H](C)[NH2+][C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533383 410714146 /nfs/dbraw/zinc/71/41/46/410714146.db2.gz AFCSYKBEFBUAQV-VHSXEESVSA-N 1 1 321.337 1.770 20 5 DDBDMO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533382 410715450 /nfs/dbraw/zinc/71/54/50/410715450.db2.gz AFCSYKBEFBUAQV-UWVGGRQHSA-N 1 1 321.337 1.770 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000347936538 410799699 /nfs/dbraw/zinc/79/96/99/410799699.db2.gz CUWZULOLKDWPIQ-LBPRGKRZSA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1n[nH]c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341074347 410882826 /nfs/dbraw/zinc/88/28/26/410882826.db2.gz WYCQAHFZVMYWTI-AOOOYVTPSA-N 1 1 309.370 1.619 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882403 410902394 /nfs/dbraw/zinc/90/23/94/410902394.db2.gz ZSFLJIARVHBWQJ-QWRGUYRKSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882403 410902400 /nfs/dbraw/zinc/90/24/00/410902400.db2.gz ZSFLJIARVHBWQJ-QWRGUYRKSA-N 1 1 309.341 2.000 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344070167 410935050 /nfs/dbraw/zinc/93/50/50/410935050.db2.gz QCESWHXJBJBEJF-OUCADQQQSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344070167 410935059 /nfs/dbraw/zinc/93/50/59/410935059.db2.gz QCESWHXJBJBEJF-OUCADQQQSA-N 1 1 319.361 1.544 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000580366536 422924274 /nfs/dbraw/zinc/92/42/74/422924274.db2.gz HCBOKUKCUWHJBL-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000580366536 422924276 /nfs/dbraw/zinc/92/42/76/422924276.db2.gz HCBOKUKCUWHJBL-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000131387349 196164280 /nfs/dbraw/zinc/16/42/80/196164280.db2.gz MKZFZNMDIVTQBZ-GFCCVEGCSA-N 1 1 323.418 1.691 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296567256 226001867 /nfs/dbraw/zinc/00/18/67/226001867.db2.gz CWPZAVHOMGTINQ-LBPRGKRZSA-N 1 1 323.349 1.746 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296567256 226001870 /nfs/dbraw/zinc/00/18/70/226001870.db2.gz CWPZAVHOMGTINQ-LBPRGKRZSA-N 1 1 323.349 1.746 20 5 DDBDMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000419331828 226120928 /nfs/dbraw/zinc/12/09/28/226120928.db2.gz RXEGQPRARFJCJK-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695816 226135006 /nfs/dbraw/zinc/13/50/06/226135006.db2.gz METGVWBEINTYQI-BBRMVZONSA-N 1 1 324.377 1.693 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362644509 307023392 /nfs/dbraw/zinc/02/33/92/307023392.db2.gz RXULOAZCXQIHFN-ZWNOBZJWSA-N 1 1 307.350 1.417 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000360662145 418486126 /nfs/dbraw/zinc/48/61/26/418486126.db2.gz FEAOBPVJDNDGKJ-LBPRGKRZSA-N 1 1 321.381 1.298 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000361125879 418587687 /nfs/dbraw/zinc/58/76/87/418587687.db2.gz UMGIWETTYCSOGX-LLVKDONJSA-N 1 1 304.350 1.487 20 5 DDBDMO CC[N@@H+](C[C@H](C)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348786 222330043 /nfs/dbraw/zinc/33/00/43/222330043.db2.gz XQHMJHLNLMXWPD-JSGCOSHPSA-N 1 1 312.366 1.691 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375333423 418631096 /nfs/dbraw/zinc/63/10/96/418631096.db2.gz POOAGZFPSBIEFW-LBPRGKRZSA-N 1 1 303.322 1.512 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000362262914 418751185 /nfs/dbraw/zinc/75/11/85/418751185.db2.gz PTLQFXJUZAWJAR-CQSZACIVSA-N 1 1 312.297 1.546 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000411607709 419359868 /nfs/dbraw/zinc/35/98/68/419359868.db2.gz DFUYVQOBKFOFGS-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426208545 419406594 /nfs/dbraw/zinc/40/65/94/419406594.db2.gz DCHAZUAHTWZTGM-FVQBIDKESA-N 1 1 324.377 1.570 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943301 419374655 /nfs/dbraw/zinc/37/46/55/419374655.db2.gz POQPOECQNYKBRA-CHWSQXEVSA-N 1 1 324.377 1.933 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426257556 419422251 /nfs/dbraw/zinc/42/22/51/419422251.db2.gz QCADBUBMOBOXEN-ZDUSSCGKSA-N 1 1 319.361 1.331 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]12CCOC2 ZINC000421010947 419449233 /nfs/dbraw/zinc/44/92/33/419449233.db2.gz DBFUSZYEFKYTHY-DOMZBBRYSA-N 1 1 308.334 1.199 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)n1 ZINC000427468311 419665242 /nfs/dbraw/zinc/66/52/42/419665242.db2.gz BGVXPIBDPLHFAU-LLVKDONJSA-N 1 1 309.370 1.273 20 5 DDBDMO Cc1nn(C)c(NCCC[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000432863578 229134266 /nfs/dbraw/zinc/13/42/66/229134266.db2.gz BAQRXEHSQNWHQZ-LLVKDONJSA-N 1 1 311.386 1.550 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000430220350 420092930 /nfs/dbraw/zinc/09/29/30/420092930.db2.gz PONVLIBKROVKEB-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)nc2c1 ZINC000425554811 420417718 /nfs/dbraw/zinc/41/77/18/420417718.db2.gz WSWWOTDRWZDGBC-VIFPVBQESA-N 1 1 314.305 1.844 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](c4nnc[nH]4)C3)nc2c1 ZINC000425554811 420417721 /nfs/dbraw/zinc/41/77/21/420417721.db2.gz WSWWOTDRWZDGBC-VIFPVBQESA-N 1 1 314.305 1.844 20 5 DDBDMO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315463 230362676 /nfs/dbraw/zinc/36/26/76/230362676.db2.gz QPCFGKMJVSJFRL-WBMJQRKESA-N 1 1 324.377 1.365 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000450614360 420499672 /nfs/dbraw/zinc/49/96/72/420499672.db2.gz MZHZANWMBJKGJT-CYBMUJFWSA-N 1 1 308.382 1.865 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456219592 421127102 /nfs/dbraw/zinc/12/71/02/421127102.db2.gz CSIJRDZVJCDCEP-TXEJJXNPSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456219592 421127105 /nfs/dbraw/zinc/12/71/05/421127105.db2.gz CSIJRDZVJCDCEP-TXEJJXNPSA-N 1 1 307.350 1.122 20 5 DDBDMO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(=O)NC ZINC000449767168 421077341 /nfs/dbraw/zinc/07/73/41/421077341.db2.gz AEQXEEZJSLCLFT-JTQLQIEISA-N 1 1 311.338 1.226 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000456535981 421180541 /nfs/dbraw/zinc/18/05/41/421180541.db2.gz URLNYMVCOPQZKW-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000456535981 421180545 /nfs/dbraw/zinc/18/05/45/421180545.db2.gz URLNYMVCOPQZKW-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524775297 421270824 /nfs/dbraw/zinc/27/08/24/421270824.db2.gz DJGNFEGJRVSCJP-VIFPVBQESA-N 1 1 310.329 1.388 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104470 421285072 /nfs/dbraw/zinc/28/50/72/421285072.db2.gz KHFGXGRUUMSMHX-HIFRSBDPSA-N 1 1 310.350 1.181 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000555533523 421681374 /nfs/dbraw/zinc/68/13/74/421681374.db2.gz KOJUHYSKDVZCSA-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000555533523 421681377 /nfs/dbraw/zinc/68/13/77/421681377.db2.gz KOJUHYSKDVZCSA-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000574665410 422156037 /nfs/dbraw/zinc/15/60/37/422156037.db2.gz GKSKABOSNJLVFG-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000574665410 422156044 /nfs/dbraw/zinc/15/60/44/422156044.db2.gz GKSKABOSNJLVFG-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO Nc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000595487434 422356776 /nfs/dbraw/zinc/35/67/76/422356776.db2.gz IQGCPNAQMRNANM-UHFFFAOYSA-N 1 1 320.328 1.814 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCCC[C@@H]1C ZINC000343076665 271636426 /nfs/dbraw/zinc/63/64/26/271636426.db2.gz NHECTAVUUKKFOV-RYUDHWBXSA-N 1 1 308.382 1.926 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000344671122 272085518 /nfs/dbraw/zinc/08/55/18/272085518.db2.gz NNNWQHLQNGWAOM-CYBMUJFWSA-N 1 1 323.397 1.418 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000345764800 272329651 /nfs/dbraw/zinc/32/96/51/272329651.db2.gz DVYAOAGINRHOQW-GFCCVEGCSA-N 1 1 322.365 1.745 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278419417 274270567 /nfs/dbraw/zinc/27/05/67/274270567.db2.gz OMKHCQBQRAGJBZ-LLVKDONJSA-N 1 1 306.366 1.066 20 5 DDBDMO Cc1nc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000290737032 274842084 /nfs/dbraw/zinc/84/20/84/274842084.db2.gz BKXKPWZHIRZBMK-TZMCWYRMSA-N 1 1 306.366 1.598 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269350268 276212435 /nfs/dbraw/zinc/21/24/35/276212435.db2.gz GHJDKIJYEOLNSI-JTQLQIEISA-N 1 1 309.370 1.513 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC000272188276 277178437 /nfs/dbraw/zinc/17/84/37/277178437.db2.gz LOSVBPJDZDEBNU-CABZTGNLSA-N 1 1 303.322 1.661 20 5 DDBDMO O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccccc1[N+](=O)[O-] ZINC000363234202 300236157 /nfs/dbraw/zinc/23/61/57/300236157.db2.gz IZINVOXIDDNNJR-HBBFGDNQSA-N 1 1 319.361 1.626 20 5 DDBDMO O=C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccccc1[N+](=O)[O-] ZINC000363234202 300236159 /nfs/dbraw/zinc/23/61/59/300236159.db2.gz IZINVOXIDDNNJR-HBBFGDNQSA-N 1 1 319.361 1.626 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019114 301120094 /nfs/dbraw/zinc/12/00/94/301120094.db2.gz OATBYQUDBBHFCH-PWSUYJOCSA-N 1 1 307.354 1.095 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019114 301120096 /nfs/dbraw/zinc/12/00/96/301120096.db2.gz OATBYQUDBBHFCH-PWSUYJOCSA-N 1 1 307.354 1.095 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279145 301155585 /nfs/dbraw/zinc/15/55/85/301155585.db2.gz VVTKLTZKVHROOT-LLVKDONJSA-N 1 1 322.365 1.086 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279145 301155587 /nfs/dbraw/zinc/15/55/87/301155587.db2.gz VVTKLTZKVHROOT-LLVKDONJSA-N 1 1 322.365 1.086 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000369800028 301226800 /nfs/dbraw/zinc/22/68/00/301226800.db2.gz QULYFLJBAYXYFX-GJZGRUSLSA-N 1 1 324.381 1.451 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000369800028 301226803 /nfs/dbraw/zinc/22/68/03/301226803.db2.gz QULYFLJBAYXYFX-GJZGRUSLSA-N 1 1 324.381 1.451 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370534659 301358847 /nfs/dbraw/zinc/35/88/47/301358847.db2.gz GJOWKVSBXJJYHL-HNNXBMFYSA-N 1 1 321.377 1.662 20 5 DDBDMO COC[C@H](O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873998 301399161 /nfs/dbraw/zinc/39/91/61/301399161.db2.gz WRUUKVJQAGMCSL-CQSZACIVSA-N 1 1 321.377 1.582 20 5 DDBDMO CCN1C(=O)[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375860389 302006206 /nfs/dbraw/zinc/00/62/06/302006206.db2.gz MWXABWVHXUISQU-CYBMUJFWSA-N 1 1 318.333 1.063 20 5 DDBDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375860389 302006209 /nfs/dbraw/zinc/00/62/09/302006209.db2.gz MWXABWVHXUISQU-CYBMUJFWSA-N 1 1 318.333 1.063 20 5 DDBDMO C[NH+](C)CCn1nnnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000412990543 302376820 /nfs/dbraw/zinc/37/68/20/302376820.db2.gz IJTAIHOGULJRHT-UHFFFAOYSA-N 1 1 324.366 1.141 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000535040094 303341431 /nfs/dbraw/zinc/34/14/31/303341431.db2.gz NBAQSABEUQPUQY-UHFFFAOYSA-N 1 1 309.370 1.275 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366633687 307078070 /nfs/dbraw/zinc/07/80/70/307078070.db2.gz CKYCFGSEKRTCIW-TZMCWYRMSA-N 1 1 319.409 1.777 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368793277 307109907 /nfs/dbraw/zinc/10/99/07/307109907.db2.gz URGHSFCMPWFLND-OAHLLOKOSA-N 1 1 321.377 1.648 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370888502 307139143 /nfs/dbraw/zinc/13/91/43/307139143.db2.gz HNSGKCOPMKZXFZ-LBPRGKRZSA-N 1 1 321.381 1.267 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373813341 307195700 /nfs/dbraw/zinc/19/57/00/307195700.db2.gz SXVINOZPVPJYNI-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373813341 307195701 /nfs/dbraw/zinc/19/57/01/307195701.db2.gz SXVINOZPVPJYNI-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000377632359 307275118 /nfs/dbraw/zinc/27/51/18/307275118.db2.gz UWTUBQCEGDRUMB-QWRGUYRKSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000377632359 307275119 /nfs/dbraw/zinc/27/51/19/307275119.db2.gz UWTUBQCEGDRUMB-QWRGUYRKSA-N 1 1 309.753 1.816 20 5 DDBDMO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576237734 308300047 /nfs/dbraw/zinc/30/00/47/308300047.db2.gz HSCBASCSIBYUQR-NWDGAFQWSA-N 1 1 318.333 1.894 20 5 DDBDMO C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)c1ccccc1[N+](=O)[O-] ZINC001120686077 782093552 /nfs/dbraw/zinc/09/35/52/782093552.db2.gz OHXFQRYOGYRYTQ-GFCCVEGCSA-N 1 1 321.377 1.476 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000583478472 333366885 /nfs/dbraw/zinc/36/68/85/333366885.db2.gz HNPUETNPTIWQKD-CQSZACIVSA-N 1 1 322.409 1.029 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000584649407 337380566 /nfs/dbraw/zinc/38/05/66/337380566.db2.gz INEGSBQGXVAGSR-NWDGAFQWSA-N 1 1 309.370 1.029 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488732577 484215091 /nfs/dbraw/zinc/21/50/91/484215091.db2.gz KHRLFTZTGGDMPB-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488732577 484215101 /nfs/dbraw/zinc/21/51/01/484215101.db2.gz KHRLFTZTGGDMPB-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000494355679 534332639 /nfs/dbraw/zinc/33/26/39/534332639.db2.gz HAPPXZWNNHTNFT-DGCLKSJQSA-N 1 1 316.365 1.619 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820808 521850417 /nfs/dbraw/zinc/85/04/17/521850417.db2.gz VFVWBQRLPQETAJ-IINYFYTJSA-N 1 1 322.365 1.085 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820808 521850426 /nfs/dbraw/zinc/85/04/26/521850426.db2.gz VFVWBQRLPQETAJ-IINYFYTJSA-N 1 1 322.365 1.085 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000331937316 534713499 /nfs/dbraw/zinc/71/34/99/534713499.db2.gz OUJHQXGYKXBSSP-UHFFFAOYSA-N 1 1 304.310 1.300 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330986160 534889247 /nfs/dbraw/zinc/88/92/47/534889247.db2.gz IULZYLMMCCVQTO-JTQLQIEISA-N 1 1 308.260 1.181 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330986160 534889248 /nfs/dbraw/zinc/88/92/48/534889248.db2.gz IULZYLMMCCVQTO-JTQLQIEISA-N 1 1 308.260 1.181 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000444083540 528243549 /nfs/dbraw/zinc/24/35/49/528243549.db2.gz JISPPAMNLBXHBB-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330869323 528544123 /nfs/dbraw/zinc/54/41/23/528544123.db2.gz SVCARIUYRQCBNK-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330710592 529122286 /nfs/dbraw/zinc/12/22/86/529122286.db2.gz XIWNIVHXDIPUTE-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330710592 529122288 /nfs/dbraw/zinc/12/22/88/529122288.db2.gz XIWNIVHXDIPUTE-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820716762 599083840 /nfs/dbraw/zinc/08/38/40/599083840.db2.gz LADFTAIGWDTANV-SNVBAGLBSA-N 1 1 317.353 1.671 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000121031839 696705459 /nfs/dbraw/zinc/70/54/59/696705459.db2.gz RYQMHKLBVZATOS-PHIMTYICSA-N 1 1 311.338 1.369 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000121031839 696705462 /nfs/dbraw/zinc/70/54/62/696705462.db2.gz RYQMHKLBVZATOS-PHIMTYICSA-N 1 1 311.338 1.369 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069143939 696380877 /nfs/dbraw/zinc/38/08/77/696380877.db2.gz WCOVVQVINLZLSO-NSHDSACASA-N 1 1 318.782 1.915 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119720395 696684619 /nfs/dbraw/zinc/68/46/19/696684619.db2.gz PPRQOBCDFANQAY-SECBINFHSA-N 1 1 321.424 1.665 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123882141 696736006 /nfs/dbraw/zinc/73/60/06/696736006.db2.gz LHMWSEKAIDAYNM-IUCAKERBSA-N 1 1 317.342 1.105 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000126346316 696761252 /nfs/dbraw/zinc/76/12/52/696761252.db2.gz KYKUJARKLMRXNQ-UHFFFAOYSA-N 1 1 312.326 1.883 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000175317577 697395844 /nfs/dbraw/zinc/39/58/44/697395844.db2.gz AYVYSOPCWRDMPW-LLVKDONJSA-N 1 1 306.366 1.557 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000749389552 700160956 /nfs/dbraw/zinc/16/09/56/700160956.db2.gz DMKXKCAADOTSGV-UHFFFAOYSA-N 1 1 317.349 1.927 20 5 DDBDMO CC(C)C1(O)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000773894840 697820307 /nfs/dbraw/zinc/82/03/07/697820307.db2.gz CDZCESJVRSYATO-ZDUSSCGKSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000775577631 698011211 /nfs/dbraw/zinc/01/12/11/698011211.db2.gz QEKFTLUOSJBKQD-RYUDHWBXSA-N 1 1 307.350 1.493 20 5 DDBDMO CCn1cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000776275239 698090754 /nfs/dbraw/zinc/09/07/54/698090754.db2.gz GAHJCOXVCAIFJQ-HNNXBMFYSA-N 1 1 304.350 1.977 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000750094034 700203379 /nfs/dbraw/zinc/20/33/79/700203379.db2.gz MMXWKXNHSIZDKF-NWDGAFQWSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000750094034 700203382 /nfs/dbraw/zinc/20/33/82/700203382.db2.gz MMXWKXNHSIZDKF-NWDGAFQWSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246383717 698348417 /nfs/dbraw/zinc/34/84/17/698348417.db2.gz OVAIUKVHOSXOKK-SWLSCSKDSA-N 1 1 305.382 1.698 20 5 DDBDMO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788762470 699338171 /nfs/dbraw/zinc/33/81/71/699338171.db2.gz HCRNRIOETZDGSD-MRVPVSSYSA-N 1 1 304.306 1.720 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802242310 700388442 /nfs/dbraw/zinc/38/84/42/700388442.db2.gz ZMTKUITVRYCHMH-LLVKDONJSA-N 1 1 314.317 1.077 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802242310 700388446 /nfs/dbraw/zinc/38/84/46/700388446.db2.gz ZMTKUITVRYCHMH-LLVKDONJSA-N 1 1 314.317 1.077 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@H](C)C1 ZINC000761077097 700840214 /nfs/dbraw/zinc/84/02/14/700840214.db2.gz MWUKMYPUXFOCSA-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229340 701509618 /nfs/dbraw/zinc/50/96/18/701509618.db2.gz QGKRQZFIDXWJKF-NSHDSACASA-N 1 1 317.349 1.408 20 5 DDBDMO CC(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000808707326 701532491 /nfs/dbraw/zinc/53/24/91/701532491.db2.gz LROSVOUACIUWMK-UHFFFAOYSA-N 1 1 306.366 1.727 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879362572 706661434 /nfs/dbraw/zinc/66/14/34/706661434.db2.gz SAZDUIPTHOHZRM-SMDDNHRTSA-N 1 1 310.350 1.169 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879362572 706661435 /nfs/dbraw/zinc/66/14/35/706661435.db2.gz SAZDUIPTHOHZRM-SMDDNHRTSA-N 1 1 310.350 1.169 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817369796 702356890 /nfs/dbraw/zinc/35/68/90/702356890.db2.gz CKVRLOHFHLVLCW-LLVKDONJSA-N 1 1 317.349 1.278 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000813635678 702388509 /nfs/dbraw/zinc/38/85/09/702388509.db2.gz BOYYUGPEEXVCTC-INIZCTEOSA-N 1 1 318.377 1.486 20 5 DDBDMO [NH3+][C@@H]1CCCC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000818341159 702638479 /nfs/dbraw/zinc/63/84/79/702638479.db2.gz VXNNBZJTLJWPRF-CHWSQXEVSA-N 1 1 324.356 1.922 20 5 DDBDMO N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000818341159 702638482 /nfs/dbraw/zinc/63/84/82/702638482.db2.gz VXNNBZJTLJWPRF-CHWSQXEVSA-N 1 1 324.356 1.922 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571284 706721978 /nfs/dbraw/zinc/72/19/78/706721978.db2.gz OSLBIFPAFTZLEK-KGLIPLIRSA-N 1 1 305.378 2.000 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC(F)F)CC2)cc1 ZINC000851713812 703835092 /nfs/dbraw/zinc/83/50/92/703835092.db2.gz AVOMGRVZZTWOOI-UHFFFAOYSA-N 1 1 301.293 1.956 20 5 DDBDMO C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])(c2ccccc2)CC1 ZINC000870187754 703946602 /nfs/dbraw/zinc/94/66/02/703946602.db2.gz YVINXBZXWSCJSB-HUUCEWRRSA-N 1 1 317.389 1.431 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436528 704047895 /nfs/dbraw/zinc/04/78/95/704047895.db2.gz INPYGQXUUOINRZ-ZIAGYGMSSA-N 1 1 321.333 1.155 20 5 DDBDMO COCC1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870884684 704157200 /nfs/dbraw/zinc/15/72/00/704157200.db2.gz FVOJHWIFVZDHIA-INIZCTEOSA-N 1 1 321.377 1.654 20 5 DDBDMO CCC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870911418 704165349 /nfs/dbraw/zinc/16/53/49/704165349.db2.gz WDHOJYJLLRSPSC-ZBFHGGJFSA-N 1 1 321.377 1.796 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870912459 704165805 /nfs/dbraw/zinc/16/58/05/704165805.db2.gz IAUVTJQTFATHKH-HOCLYGCPSA-N 1 1 321.377 1.652 20 5 DDBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853579791 704274818 /nfs/dbraw/zinc/27/48/18/704274818.db2.gz ZVPNYMCJAFZBGF-VXGBXAGGSA-N 1 1 316.317 1.711 20 5 DDBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853579791 704274821 /nfs/dbraw/zinc/27/48/21/704274821.db2.gz ZVPNYMCJAFZBGF-VXGBXAGGSA-N 1 1 316.317 1.711 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC000853585905 704275958 /nfs/dbraw/zinc/27/59/58/704275958.db2.gz KVEJXANPJLIGQZ-OLZOCXBDSA-N 1 1 302.334 1.870 20 5 DDBDMO O=C1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000821341530 704393595 /nfs/dbraw/zinc/39/35/95/704393595.db2.gz BAEOEGOYJCBLCE-AWEZNQCLSA-N 1 1 305.334 1.422 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424636 706969876 /nfs/dbraw/zinc/96/98/76/706969876.db2.gz JQTHRXHCUKVXBF-GJZGRUSLSA-N 1 1 310.350 1.709 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000822722625 705020076 /nfs/dbraw/zinc/02/00/76/705020076.db2.gz IJRAEUPLYPRAJK-SNVBAGLBSA-N 1 1 320.305 1.906 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000874708253 705141744 /nfs/dbraw/zinc/14/17/44/705141744.db2.gz KWCWURYCXMNOFC-GFCCVEGCSA-N 1 1 301.387 1.049 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000874708253 705141747 /nfs/dbraw/zinc/14/17/47/705141747.db2.gz KWCWURYCXMNOFC-GFCCVEGCSA-N 1 1 301.387 1.049 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836390 705193620 /nfs/dbraw/zinc/19/36/20/705193620.db2.gz CCQQCIVJAKQEKN-NWDGAFQWSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836390 705193622 /nfs/dbraw/zinc/19/36/22/705193622.db2.gz CCQQCIVJAKQEKN-NWDGAFQWSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836390 705193623 /nfs/dbraw/zinc/19/36/23/705193623.db2.gz CCQQCIVJAKQEKN-NWDGAFQWSA-N 1 1 321.381 1.579 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823987718 705350206 /nfs/dbraw/zinc/35/02/06/705350206.db2.gz QREMFNOKEWKNCH-GXSJLCMTSA-N 1 1 307.354 1.781 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338950 705432957 /nfs/dbraw/zinc/43/29/57/705432957.db2.gz KMKMRHBCANVRCQ-DZGCQCFKSA-N 1 1 308.334 1.861 20 5 DDBDMO CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000825017874 705578532 /nfs/dbraw/zinc/57/85/32/705578532.db2.gz BXURNXPBOMFLOK-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000825516809 705685206 /nfs/dbraw/zinc/68/52/06/705685206.db2.gz BZNKDTUXRGIELF-SNVBAGLBSA-N 1 1 324.356 1.624 20 5 DDBDMO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000825844529 705736308 /nfs/dbraw/zinc/73/63/08/705736308.db2.gz MCYCXIWNSHGNLL-GJZGRUSLSA-N 1 1 319.361 1.323 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827244437 705958876 /nfs/dbraw/zinc/95/88/76/705958876.db2.gz AKXCSFVTEVAQMZ-YUELXQCFSA-N 1 1 319.361 1.181 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321185 705974774 /nfs/dbraw/zinc/97/47/74/705974774.db2.gz USKDPSJOXSECDK-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321185 705974775 /nfs/dbraw/zinc/97/47/75/705974775.db2.gz USKDPSJOXSECDK-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321185 705974776 /nfs/dbraw/zinc/97/47/76/705974776.db2.gz USKDPSJOXSECDK-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO C[C@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)N1CC[NH2+]CC1=O ZINC000863670452 705982262 /nfs/dbraw/zinc/98/22/62/705982262.db2.gz MQMJOPHIFMNFOT-SSDOTTSWSA-N 1 1 323.334 1.199 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626286 706039585 /nfs/dbraw/zinc/03/95/85/706039585.db2.gz VHAHOYQPYMMQOU-RRFJBIMHSA-N 1 1 303.362 1.909 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510071 706527776 /nfs/dbraw/zinc/52/77/76/706527776.db2.gz QSOZCALVQHWYFH-KBPBESRZSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510071 706527778 /nfs/dbraw/zinc/52/77/78/706527778.db2.gz QSOZCALVQHWYFH-KBPBESRZSA-N 1 1 323.349 1.401 20 5 DDBDMO C[C@H](NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851558 707139010 /nfs/dbraw/zinc/13/90/10/707139010.db2.gz ZNSKQJCHWGVXDI-GXTWGEPZSA-N 1 1 322.409 1.674 20 5 DDBDMO C[C@H](NC[C@H]1CCC[N@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851558 707139014 /nfs/dbraw/zinc/13/90/14/707139014.db2.gz ZNSKQJCHWGVXDI-GXTWGEPZSA-N 1 1 322.409 1.674 20 5 DDBDMO CC[NH+]1CCN(CCNc2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000881797345 707369320 /nfs/dbraw/zinc/36/93/20/707369320.db2.gz UXFLZLXOFFRSIZ-UHFFFAOYSA-N 1 1 320.393 1.847 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944577 707552187 /nfs/dbraw/zinc/55/21/87/707552187.db2.gz BAIFWSWFUAMCEW-DZGCQCFKSA-N 1 1 321.377 1.571 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000873396537 707836336 /nfs/dbraw/zinc/83/63/36/707836336.db2.gz RJQCBSJONUWVPF-CYBMUJFWSA-N 1 1 324.381 1.907 20 5 DDBDMO Cc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221122 708258699 /nfs/dbraw/zinc/25/86/99/708258699.db2.gz HLOXKMMTJRIJSF-ZIAGYGMSSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897222601 708260140 /nfs/dbraw/zinc/26/01/40/708260140.db2.gz WCXCMIPNHGEWCN-UONOGXRCSA-N 1 1 305.378 1.939 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000892144409 710379896 /nfs/dbraw/zinc/37/98/96/710379896.db2.gz OAHJCJKAVALSSE-CMPLNLGQSA-N 1 1 308.338 1.274 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000912034026 711136675 /nfs/dbraw/zinc/13/66/75/711136675.db2.gz RAHVAADGSPBHHV-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000912034026 711136678 /nfs/dbraw/zinc/13/66/78/711136678.db2.gz RAHVAADGSPBHHV-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1nccc2c1cccc2[N+](=O)[O-] ZINC000894590555 711197994 /nfs/dbraw/zinc/19/79/94/711197994.db2.gz HQWFUTWLALBSPK-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1CO ZINC000894884475 711307759 /nfs/dbraw/zinc/30/77/59/711307759.db2.gz FXIXXUJDFWOVKV-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1CO ZINC000894884475 711307764 /nfs/dbraw/zinc/30/77/64/711307764.db2.gz FXIXXUJDFWOVKV-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO CON(C)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000895041176 711381309 /nfs/dbraw/zinc/38/13/09/711381309.db2.gz KBNJHSHHTKLYTF-UHFFFAOYSA-N 1 1 319.317 1.964 20 5 DDBDMO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C ZINC000895737878 711591410 /nfs/dbraw/zinc/59/14/10/711591410.db2.gz GDCHUZWKTVPIMR-MWLCHTKSSA-N 1 1 304.350 1.984 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000895772279 711602395 /nfs/dbraw/zinc/60/23/95/711602395.db2.gz ZYXTUVJTQIPHRH-NSHDSACASA-N 1 1 306.322 1.667 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000896379805 711714908 /nfs/dbraw/zinc/71/49/08/711714908.db2.gz FCGZMSXTGNDFEU-NSHDSACASA-N 1 1 324.333 1.504 20 5 DDBDMO Cc1cnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896524597 711738138 /nfs/dbraw/zinc/73/81/38/711738138.db2.gz XIJIHDNOJCLHGN-CYBMUJFWSA-N 1 1 306.366 1.963 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(F)c1 ZINC000896525750 711738657 /nfs/dbraw/zinc/73/86/57/711738657.db2.gz OITVKBQLKOXQKD-LLVKDONJSA-N 1 1 310.329 1.794 20 5 DDBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896572427 711756032 /nfs/dbraw/zinc/75/60/32/711756032.db2.gz VBLUSBVZIRDZTC-ONGXEEELSA-N 1 1 312.395 1.020 20 5 DDBDMO C[N@H+]1CCC[C@@H]1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000917227397 713488116 /nfs/dbraw/zinc/48/81/16/713488116.db2.gz CCCCUZGFMDLPNW-SECBINFHSA-N 1 1 316.155 1.613 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000917227397 713488114 /nfs/dbraw/zinc/48/81/14/713488114.db2.gz CCCCUZGFMDLPNW-SECBINFHSA-N 1 1 316.155 1.613 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](C4OCCO4)C3)c2c1 ZINC000905696116 712121656 /nfs/dbraw/zinc/12/16/56/712121656.db2.gz UKGSJNMPSQNUSK-GFCCVEGCSA-N 1 1 318.333 1.597 20 5 DDBDMO C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228690 713571530 /nfs/dbraw/zinc/57/15/30/713571530.db2.gz RBOJWTAZQKGVQU-GJZGRUSLSA-N 1 1 303.362 1.862 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931722453 714168937 /nfs/dbraw/zinc/16/89/37/714168937.db2.gz HJSXHFHSWBHNKI-UONOGXRCSA-N 1 1 318.377 1.362 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644236 714373403 /nfs/dbraw/zinc/37/34/03/714373403.db2.gz HKPUXNHGSIEVEU-OCCSQVGLSA-N 1 1 308.334 1.513 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cs1 ZINC000934258098 714777775 /nfs/dbraw/zinc/77/77/75/714777775.db2.gz PWLFCIIGQNUBOP-QWHCGFSZSA-N 1 1 311.407 1.687 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000925419989 714850453 /nfs/dbraw/zinc/85/04/53/714850453.db2.gz RZXWSFVEHBZHNA-GFCCVEGCSA-N 1 1 304.350 1.367 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000611615648 721911405 /nfs/dbraw/zinc/91/14/05/721911405.db2.gz SKSNYYPQYRUWGW-AWEZNQCLSA-N 1 1 320.393 1.908 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC001120921984 782237059 /nfs/dbraw/zinc/23/70/59/782237059.db2.gz FZYWWZUJUTUFHW-GARJFASQSA-N 1 1 302.338 1.390 20 5 DDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCc2[nH+]ccn2CC1 ZINC001167182633 732810370 /nfs/dbraw/zinc/81/03/70/732810370.db2.gz RGBNHNCCOHDPEJ-UHFFFAOYSA-N 1 1 309.713 1.141 20 5 DDBDMO Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063850 734368275 /nfs/dbraw/zinc/36/82/75/734368275.db2.gz MRAZGYARSWHZDS-QVHKTLOISA-N 1 1 321.352 1.536 20 5 DDBDMO O=C(NCC[NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936272 742830420 /nfs/dbraw/zinc/83/04/20/742830420.db2.gz DPSJFNUAJBLIPY-GHMZBOCLSA-N 1 1 305.325 1.183 20 5 DDBDMO O=C(NC1CC[NH+](CCc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787141 743428797 /nfs/dbraw/zinc/42/87/97/743428797.db2.gz GGPKDXFRKQHQGA-ZIAGYGMSSA-N 1 1 323.418 1.536 20 5 DDBDMO Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662248 747336043 /nfs/dbraw/zinc/33/60/43/747336043.db2.gz YVZWXMBFTAXLAI-HUUCEWRRSA-N 1 1 303.362 1.208 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095625608 750092934 /nfs/dbraw/zinc/09/29/34/750092934.db2.gz YFXWECBTFSRJMZ-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO CCOC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978821 762148803 /nfs/dbraw/zinc/14/88/03/762148803.db2.gz UMZLJSCRDHAOSL-UTUOFQBUSA-N 1 1 304.412 1.706 20 5 DDBDMO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030383 762186433 /nfs/dbraw/zinc/18/64/33/762186433.db2.gz ZDLKVPIZLJANCO-KBPBESRZSA-N 1 1 315.414 1.249 20 5 DDBDMO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030383 762186434 /nfs/dbraw/zinc/18/64/34/762186434.db2.gz ZDLKVPIZLJANCO-KBPBESRZSA-N 1 1 315.414 1.249 20 5 DDBDMO CCn1cc2c(n1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@@H]2COC ZINC001169019272 762198957 /nfs/dbraw/zinc/19/89/57/762198957.db2.gz HCZSONFZAQHBIR-BFHYXJOUSA-N 1 1 322.409 1.894 20 5 DDBDMO CCn1cc2c(n1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@@H]2COC ZINC001169019272 762198963 /nfs/dbraw/zinc/19/89/63/762198963.db2.gz HCZSONFZAQHBIR-BFHYXJOUSA-N 1 1 322.409 1.894 20 5 DDBDMO CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019202 762199324 /nfs/dbraw/zinc/19/93/24/762199324.db2.gz FNZDXYVVUCRQKA-LZWOXQAQSA-N 1 1 309.410 1.766 20 5 DDBDMO CCOCc1nnn2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024845 762202169 /nfs/dbraw/zinc/20/21/69/762202169.db2.gz RNRAIWWWUDDCGA-CHWSQXEVSA-N 1 1 323.397 1.466 20 5 DDBDMO CCn1ncc2c1[C@H](COC)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025068 762202460 /nfs/dbraw/zinc/20/24/60/762202460.db2.gz XNEIHPOAOMUOIM-AEGPPILISA-N 1 1 322.409 1.894 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327845 766254149 /nfs/dbraw/zinc/25/41/49/766254149.db2.gz IIKWAZPQSJXIMY-PSOPSSQASA-N 1 1 312.341 1.939 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C2CC2)CCC1 ZINC001131913964 768477440 /nfs/dbraw/zinc/47/74/40/768477440.db2.gz ZYPUFOYTHOXBKA-UHFFFAOYSA-N 1 1 321.381 1.114 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCNc2ncccc2[N+](=O)[O-])C1 ZINC001094140315 775475608 /nfs/dbraw/zinc/47/56/08/775475608.db2.gz GXDFQPANHZOPMH-UHFFFAOYSA-N 1 1 321.381 1.250 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094456419 775896156 /nfs/dbraw/zinc/89/61/56/775896156.db2.gz GAKSXOHSDRZKAD-UHFFFAOYSA-N 1 1 309.370 1.248 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCO[C@H](CO)C1)CC2 ZINC001172907079 776918298 /nfs/dbraw/zinc/91/82/98/776918298.db2.gz CRIBLMPUUYPQDC-HOCLYGCPSA-N 1 1 306.362 1.535 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101657905 777354870 /nfs/dbraw/zinc/35/48/70/777354870.db2.gz XSOPMBGYCPFMSB-UHFFFAOYSA-N 1 1 309.370 1.200 20 5 DDBDMO C[NH+]1CCN(c2cc(Nc3ccc([N+](=O)[O-])cc3)ncn2)CC1 ZINC001174476001 777496840 /nfs/dbraw/zinc/49/68/40/777496840.db2.gz WVNGEWFMXOOYIF-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO C[NH+]1CCN(c2ncc(Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC001174476018 777497648 /nfs/dbraw/zinc/49/76/48/777497648.db2.gz XNNOMZRZBZWOJM-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001116442117 780510230 /nfs/dbraw/zinc/51/02/30/780510230.db2.gz IHJOAANFQBJTMH-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001116442117 780510234 /nfs/dbraw/zinc/51/02/34/780510234.db2.gz IHJOAANFQBJTMH-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1C ZINC001267314049 837809059 /nfs/dbraw/zinc/80/90/59/837809059.db2.gz GWTCUSAXYJYGDB-HUUCEWRRSA-N 1 1 320.393 1.383 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1C ZINC001267314049 837809073 /nfs/dbraw/zinc/80/90/73/837809073.db2.gz GWTCUSAXYJYGDB-HUUCEWRRSA-N 1 1 320.393 1.383 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1C ZINC001267314049 837809087 /nfs/dbraw/zinc/80/90/87/837809087.db2.gz GWTCUSAXYJYGDB-HUUCEWRRSA-N 1 1 320.393 1.383 20 5 DDBDMO C[N@@H+](CCNC(=O)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266340216 836141769 /nfs/dbraw/zinc/14/17/69/836141769.db2.gz ONFSQQIMIWQPMH-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001268466989 840246134 /nfs/dbraw/zinc/24/61/34/840246134.db2.gz POAXELBZCGNPNV-UHFFFAOYSA-N 1 1 320.393 1.237 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3cc(OC)c([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001157691385 864053572 /nfs/dbraw/zinc/05/35/72/864053572.db2.gz PGXJEHMEKQSLBI-TXEJJXNPSA-N 1 1 306.366 1.776 20 5 DDBDMO C[N@@H+](C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158725340 864857861 /nfs/dbraw/zinc/85/78/61/864857861.db2.gz HEKYPVHCSAVGHH-JTQLQIEISA-N 1 1 312.757 1.553 20 5 DDBDMO Nc1nc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160724462 866070238 /nfs/dbraw/zinc/07/02/38/866070238.db2.gz LBZZQSCCFPMECE-WDEREUQCSA-N 1 1 307.354 1.237 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CC[NH2+]CC1(F)F ZINC001162812733 867847365 /nfs/dbraw/zinc/84/73/65/867847365.db2.gz NXIXDFKIFICMCK-SNVBAGLBSA-N 1 1 316.308 1.583 20 5 DDBDMO Cc1nc(N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001162879605 867895023 /nfs/dbraw/zinc/89/50/23/867895023.db2.gz DEYSJQJKSHAHQK-ZDUSSCGKSA-N 1 1 323.397 1.852 20 5 DDBDMO COc1c(O)ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001336813279 869160518 /nfs/dbraw/zinc/16/05/18/869160518.db2.gz PMLCHDQIIZKRHG-PWSUYJOCSA-N 1 1 307.350 1.445 20 5 DDBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165198352 869422414 /nfs/dbraw/zinc/42/24/14/869422414.db2.gz JMNFRUIWKJPLIC-HSBHDXMMSA-N 1 1 303.366 1.416 20 5 DDBDMO COC(=O)C1([NH3+])CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001166794320 870253101 /nfs/dbraw/zinc/25/31/01/870253101.db2.gz ATEQQHLJHUUUHW-UHFFFAOYSA-N 1 1 314.729 1.114 20 5 DDBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(N)nc2ccccc21 ZINC001226418405 882417301 /nfs/dbraw/zinc/41/73/01/882417301.db2.gz NLMIMOXAOQRVEG-LLVKDONJSA-N 1 1 304.370 1.180 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001303470461 871125166 /nfs/dbraw/zinc/12/51/66/871125166.db2.gz WRZCZQLHFGFYOC-UHFFFAOYSA-N 1 1 303.322 1.366 20 5 DDBDMO COC(=O)/C(C)=C/C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999814 871462652 /nfs/dbraw/zinc/46/26/52/871462652.db2.gz OTXNXEJAUUIDTA-USYSOWRXSA-N 1 1 308.334 1.511 20 5 DDBDMO CCO[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001341939572 871905160 /nfs/dbraw/zinc/90/51/60/871905160.db2.gz PRTUVKJSCVSLRY-DZGCQCFKSA-N 1 1 307.350 1.406 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226748121 882627101 /nfs/dbraw/zinc/62/71/01/882627101.db2.gz HCUNXUODOCOZDG-SNVBAGLBSA-N 1 1 302.277 1.973 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226748121 882627106 /nfs/dbraw/zinc/62/71/06/882627106.db2.gz HCUNXUODOCOZDG-SNVBAGLBSA-N 1 1 302.277 1.973 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1COC1C[NH+](C(C)C)C1 ZINC001223449730 880966925 /nfs/dbraw/zinc/96/69/25/880966925.db2.gz FDOMBYQYXCCCDN-UHFFFAOYSA-N 1 1 308.334 1.991 20 5 DDBDMO Cc1cnc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC001224183129 881261596 /nfs/dbraw/zinc/26/15/96/881261596.db2.gz MVNFMMXZEMQOPB-NILFDRSVSA-N 1 1 319.361 1.927 20 5 DDBDMO COCC[NH+]1CCC(Oc2nc(C)cc(O)c2[N+](=O)[O-])CC1 ZINC001231262280 885447288 /nfs/dbraw/zinc/44/72/88/885447288.db2.gz DYFVRBHJUJGATK-UHFFFAOYSA-N 1 1 311.338 1.493 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234513268 888039904 /nfs/dbraw/zinc/03/99/04/888039904.db2.gz VQPLZMKACUGYAG-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO CCNC(=O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476983 896455706 /nfs/dbraw/zinc/45/57/06/896455706.db2.gz YIVSRQLUHKFOPL-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001254562876 896502711 /nfs/dbraw/zinc/50/27/11/896502711.db2.gz QKPRWMRYZQAKBV-ZBFHGGJFSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CO ZINC000305429844 231007640 /nfs/dbraw/zinc/00/76/40/231007640.db2.gz DLDTWSBNFQCPSW-HZMBPMFUSA-N 1 1 307.350 1.287 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451997258 231262801 /nfs/dbraw/zinc/26/28/01/231262801.db2.gz QZZUIUZCNYGOID-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260991 529464979 /nfs/dbraw/zinc/46/49/79/529464979.db2.gz PYIDFOUHGSIRQS-GHMZBOCLSA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260991 529464982 /nfs/dbraw/zinc/46/49/82/529464982.db2.gz PYIDFOUHGSIRQS-GHMZBOCLSA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260991 529464983 /nfs/dbraw/zinc/46/49/83/529464983.db2.gz PYIDFOUHGSIRQS-GHMZBOCLSA-N 1 1 323.397 1.825 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272834714 210232993 /nfs/dbraw/zinc/23/29/93/210232993.db2.gz FTQBASZHJLIMSP-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO CC1(C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614895392 362066696 /nfs/dbraw/zinc/06/66/96/362066696.db2.gz RNTCTVBFNUSRCU-UHFFFAOYSA-N 1 1 321.377 1.052 20 5 DDBDMO CC1(C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614895392 362066701 /nfs/dbraw/zinc/06/67/01/362066701.db2.gz RNTCTVBFNUSRCU-UHFFFAOYSA-N 1 1 321.377 1.052 20 5 DDBDMO CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614920866 362078319 /nfs/dbraw/zinc/07/83/19/362078319.db2.gz VTUMPFRGXOTHEW-UHFFFAOYSA-N 1 1 307.394 1.526 20 5 DDBDMO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920866 362078323 /nfs/dbraw/zinc/07/83/23/362078323.db2.gz VTUMPFRGXOTHEW-UHFFFAOYSA-N 1 1 307.394 1.526 20 5 DDBDMO CC1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920866 362078327 /nfs/dbraw/zinc/07/83/27/362078327.db2.gz VTUMPFRGXOTHEW-UHFFFAOYSA-N 1 1 307.394 1.526 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551564 185302865 /nfs/dbraw/zinc/30/28/65/185302865.db2.gz OZQOCNDWGACBQT-AWEZNQCLSA-N 1 1 322.409 1.420 20 5 DDBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1O ZINC000615141178 362170658 /nfs/dbraw/zinc/17/06/58/362170658.db2.gz HDBZAKZEMKNWJR-HNNXBMFYSA-N 1 1 322.361 1.959 20 5 DDBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1O ZINC000615141178 362170659 /nfs/dbraw/zinc/17/06/59/362170659.db2.gz HDBZAKZEMKNWJR-HNNXBMFYSA-N 1 1 322.361 1.959 20 5 DDBDMO CC1(C)COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181576015 199321151 /nfs/dbraw/zinc/32/11/51/199321151.db2.gz WXVBHIBUESYASM-LBPRGKRZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181576015 199321154 /nfs/dbraw/zinc/32/11/54/199321154.db2.gz WXVBHIBUESYASM-LBPRGKRZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649276 210056300 /nfs/dbraw/zinc/05/63/00/210056300.db2.gz ZAFAHVRAPVPCEE-WCQYABFASA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649276 210056303 /nfs/dbraw/zinc/05/63/03/210056303.db2.gz ZAFAHVRAPVPCEE-WCQYABFASA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272635811 210037236 /nfs/dbraw/zinc/03/72/36/210037236.db2.gz NRQJBUXITCRVNH-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358474125 299164987 /nfs/dbraw/zinc/16/49/87/299164987.db2.gz UCULEDQHGCUWLU-AWEZNQCLSA-N 1 1 308.338 1.091 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000046047166 352433871 /nfs/dbraw/zinc/43/38/71/352433871.db2.gz GTNPKBHWUWADIY-CYBMUJFWSA-N 1 1 322.365 1.250 20 5 DDBDMO COCCC[N@@H+](CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000054366092 352689844 /nfs/dbraw/zinc/68/98/44/352689844.db2.gz UAYYVBIYJLWMSM-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000054223585 352683906 /nfs/dbraw/zinc/68/39/06/352683906.db2.gz FWUDURIKAHIOQP-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000072713227 353210489 /nfs/dbraw/zinc/21/04/89/353210489.db2.gz RUYSNIBRBBOFEC-LLVKDONJSA-N 1 1 309.366 1.935 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000074772862 353330122 /nfs/dbraw/zinc/33/01/22/353330122.db2.gz VNTPGYBODZQPHI-LLVKDONJSA-N 1 1 306.370 1.135 20 5 DDBDMO C[C@H]1CSCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246932432 354362713 /nfs/dbraw/zinc/36/27/13/354362713.db2.gz DRLUAKVRTAVZJX-WCQYABFASA-N 1 1 312.391 1.772 20 5 DDBDMO CC1(C)COCC[N@@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587862187 354886451 /nfs/dbraw/zinc/88/64/51/354886451.db2.gz PSWALJQYANPXGP-UHFFFAOYSA-N 1 1 324.381 1.192 20 5 DDBDMO CC1(C)COCC[N@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587862187 354886455 /nfs/dbraw/zinc/88/64/55/354886455.db2.gz PSWALJQYANPXGP-UHFFFAOYSA-N 1 1 324.381 1.192 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000588001108 354891785 /nfs/dbraw/zinc/89/17/85/354891785.db2.gz ONQNTEZXBNMFNE-NHYWBVRUSA-N 1 1 320.393 1.590 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860631 354943568 /nfs/dbraw/zinc/94/35/68/354943568.db2.gz KIAFLSQLMLJQHT-UKRRQHHQSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864063 354944081 /nfs/dbraw/zinc/94/40/81/354944081.db2.gz ZWTFBWLLUHNZFK-KGLIPLIRSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC000589501921 354997154 /nfs/dbraw/zinc/99/71/54/354997154.db2.gz KHDXDJYYSHILJV-HNNXBMFYSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(O)C2)c1 ZINC000589501921 354997156 /nfs/dbraw/zinc/99/71/56/354997156.db2.gz KHDXDJYYSHILJV-HNNXBMFYSA-N 1 1 308.334 1.728 20 5 DDBDMO Cn1c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000495123617 235128941 /nfs/dbraw/zinc/12/89/41/235128941.db2.gz VELDELJYKJMJJZ-RYUDHWBXSA-N 1 1 306.366 1.490 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000590446621 355099570 /nfs/dbraw/zinc/09/95/70/355099570.db2.gz TYJAIVXHGVBAHF-IINYFYTJSA-N 1 1 314.345 1.852 20 5 DDBDMO COc1cccc2c1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000590759984 355169678 /nfs/dbraw/zinc/16/96/78/355169678.db2.gz ZSWWJNOPPXZABF-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765853 355172625 /nfs/dbraw/zinc/17/26/25/355172625.db2.gz ZMZRSMBLDAYZQJ-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@H]1CN(CCO)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765853 355172629 /nfs/dbraw/zinc/17/26/29/355172629.db2.gz ZMZRSMBLDAYZQJ-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@H]1CN(CCO)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765853 355172630 /nfs/dbraw/zinc/17/26/30/355172630.db2.gz ZMZRSMBLDAYZQJ-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591047956 355238832 /nfs/dbraw/zinc/23/88/32/355238832.db2.gz WUVPOXOHWKSFFO-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209139 355539499 /nfs/dbraw/zinc/53/94/99/355539499.db2.gz VKGULDRGKUIRCK-BZPMIXESSA-N 1 1 322.361 1.820 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000593671099 355962318 /nfs/dbraw/zinc/96/23/18/355962318.db2.gz FGQKICAUBINAGB-UHFFFAOYSA-N 1 1 307.325 1.655 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594596965 356259880 /nfs/dbraw/zinc/25/98/80/356259880.db2.gz BPNWVDFWHOWSND-VXGBXAGGSA-N 1 1 319.365 1.518 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607972 356574246 /nfs/dbraw/zinc/57/42/46/356574246.db2.gz MDYPAKFZKWAYHZ-ZDUSSCGKSA-N 1 1 317.349 1.717 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754985 356637068 /nfs/dbraw/zinc/63/70/68/356637068.db2.gz DOMQTFNESKNIKO-NOLJZWGESA-N 1 1 322.361 1.303 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595759483 356640559 /nfs/dbraw/zinc/64/05/59/356640559.db2.gz UWHBAWNQSHFMAM-XHDPSFHLSA-N 1 1 305.334 1.380 20 5 DDBDMO [NH3+]CC12CC(C1)CN2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000595942070 356715933 /nfs/dbraw/zinc/71/59/33/356715933.db2.gz GDANNNKXKHMDHL-UHFFFAOYSA-N 1 1 301.306 1.034 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596110999 356776199 /nfs/dbraw/zinc/77/61/99/356776199.db2.gz UBVUAQOWVRWUOR-GFCCVEGCSA-N 1 1 322.365 1.216 20 5 DDBDMO C[C@@H]1C[N@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)CO1 ZINC000596431584 356878009 /nfs/dbraw/zinc/87/80/09/356878009.db2.gz PIFUYEXUJBQXSO-WDEREUQCSA-N 1 1 319.365 1.414 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)CO1 ZINC000596431584 356878010 /nfs/dbraw/zinc/87/80/10/356878010.db2.gz PIFUYEXUJBQXSO-WDEREUQCSA-N 1 1 319.365 1.414 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596538595 356911134 /nfs/dbraw/zinc/91/11/34/356911134.db2.gz MODNBXYIAWYKKV-CQSZACIVSA-N 1 1 306.366 1.334 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000597604467 357250859 /nfs/dbraw/zinc/25/08/59/357250859.db2.gz IMSIQHUDIYFBQC-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597858481 357361565 /nfs/dbraw/zinc/36/15/65/357361565.db2.gz LZKQSOBDPCJBGC-LBPRGKRZSA-N 1 1 321.377 1.963 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923124 357383652 /nfs/dbraw/zinc/38/36/52/357383652.db2.gz LSLLQYBUENYKMR-VIFPVBQESA-N 1 1 309.370 1.483 20 5 DDBDMO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597944539 357394266 /nfs/dbraw/zinc/39/42/66/357394266.db2.gz DVPSDXDCQYHLAB-ZDUSSCGKSA-N 1 1 321.377 1.699 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598589082 357643422 /nfs/dbraw/zinc/64/34/22/357643422.db2.gz CVUFVKBDWALIFM-VXGBXAGGSA-N 1 1 320.349 1.815 20 5 DDBDMO COC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598599038 357648534 /nfs/dbraw/zinc/64/85/34/357648534.db2.gz XGYCLEANRXFIBH-LLVKDONJSA-N 1 1 322.365 1.554 20 5 DDBDMO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347890593 283291585 /nfs/dbraw/zinc/29/15/85/283291585.db2.gz KDWBUUSUFWJTHN-GFCCVEGCSA-N 1 1 321.381 1.222 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599569534 357978595 /nfs/dbraw/zinc/97/85/95/357978595.db2.gz NRFYFIRRAQNNLE-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599569534 357978596 /nfs/dbraw/zinc/97/85/96/357978596.db2.gz NRFYFIRRAQNNLE-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO COC[C@]1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599693363 358027664 /nfs/dbraw/zinc/02/76/64/358027664.db2.gz ORMBXVFZDGIUNL-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@]1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599693363 358027669 /nfs/dbraw/zinc/02/76/69/358027669.db2.gz ORMBXVFZDGIUNL-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600313102 358193368 /nfs/dbraw/zinc/19/33/68/358193368.db2.gz HSYQTXBGBBZRPR-LLVKDONJSA-N 1 1 323.397 1.732 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600316294 358194895 /nfs/dbraw/zinc/19/48/95/358194895.db2.gz ZDPDXERXOUDAHD-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO O=C1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000601126409 358413368 /nfs/dbraw/zinc/41/33/68/358413368.db2.gz XYSRQNAMVLKMEA-SNVBAGLBSA-N 1 1 312.329 1.740 20 5 DDBDMO O=C(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)NCC1CC1 ZINC000601140040 358417925 /nfs/dbraw/zinc/41/79/25/358417925.db2.gz PXKBDHVIPAEMQG-UHFFFAOYSA-N 1 1 300.318 1.503 20 5 DDBDMO COC[C@@](C)(O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601171021 358431692 /nfs/dbraw/zinc/43/16/92/358431692.db2.gz ZDTJIOAORJFRMZ-HNNXBMFYSA-N 1 1 305.334 1.764 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC000601411374 358540971 /nfs/dbraw/zinc/54/09/71/358540971.db2.gz VCESVRYBTFBGKV-DZGCQCFKSA-N 1 1 318.377 1.605 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000602140997 358841115 /nfs/dbraw/zinc/84/11/15/358841115.db2.gz KCTBZYBDXMLQTK-LBPRGKRZSA-N 1 1 321.381 1.297 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000602843253 359231161 /nfs/dbraw/zinc/23/11/61/359231161.db2.gz ZLUOECNMCCAGHE-AWEZNQCLSA-N 1 1 308.382 1.848 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000602843196 359231355 /nfs/dbraw/zinc/23/13/55/359231355.db2.gz WERNWIYYNUDZDW-MJBXVCDLSA-N 1 1 308.382 1.725 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831817 359223705 /nfs/dbraw/zinc/22/37/05/359223705.db2.gz IFZYVOBZDNMMJN-CQSZACIVSA-N 1 1 323.397 1.338 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000602950563 359316458 /nfs/dbraw/zinc/31/64/58/359316458.db2.gz FUZFZLMGKIXLHL-GHMZBOCLSA-N 1 1 307.354 1.276 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000186977524 200042637 /nfs/dbraw/zinc/04/26/37/200042637.db2.gz OITRLJNFMXHMCS-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000186977524 200042639 /nfs/dbraw/zinc/04/26/39/200042639.db2.gz OITRLJNFMXHMCS-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982194 200186606 /nfs/dbraw/zinc/18/66/06/200186606.db2.gz VYNUQHZYQBGADJ-BZNIZROVSA-N 1 1 321.377 1.677 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000604199713 359725374 /nfs/dbraw/zinc/72/53/74/359725374.db2.gz TYNKBAOIXOTXIY-NSHDSACASA-N 1 1 309.391 1.897 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000609268778 360285900 /nfs/dbraw/zinc/28/59/00/360285900.db2.gz BAGBGZMZWJSUGA-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609279536 360286802 /nfs/dbraw/zinc/28/68/02/360286802.db2.gz FIPKBVPJLJVMKN-ZDUSSCGKSA-N 1 1 322.365 1.827 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609450477 360309205 /nfs/dbraw/zinc/30/92/05/360309205.db2.gz YRSKKCWEWZUTAT-VIFPVBQESA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609450477 360309209 /nfs/dbraw/zinc/30/92/09/360309209.db2.gz YRSKKCWEWZUTAT-VIFPVBQESA-N 1 1 307.306 1.100 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000610177831 360388393 /nfs/dbraw/zinc/38/83/93/360388393.db2.gz HUXVWSPPVVOONH-WCQYABFASA-N 1 1 308.382 1.736 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000610654057 360492177 /nfs/dbraw/zinc/49/21/77/360492177.db2.gz GVVMHBIWPJJXLJ-QWRGUYRKSA-N 1 1 321.381 1.268 20 5 DDBDMO CC[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610527603 360461834 /nfs/dbraw/zinc/46/18/34/360461834.db2.gz ASYYVZLMIDWWFR-OAHLLOKOSA-N 1 1 320.393 1.410 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000281457147 216313042 /nfs/dbraw/zinc/31/30/42/216313042.db2.gz LJJRYQJYYGHFBW-NSHDSACASA-N 1 1 304.354 1.991 20 5 DDBDMO COc1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000193651821 201095299 /nfs/dbraw/zinc/09/52/99/201095299.db2.gz XMFHCHKRELALFN-OQPBUACISA-N 1 1 311.313 1.357 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194921140 201312112 /nfs/dbraw/zinc/31/21/12/201312112.db2.gz LDNBQDJBCQBAJT-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619254978 363946957 /nfs/dbraw/zinc/94/69/57/363946957.db2.gz ROJGCUDFHWSZFV-UKRRQHHQSA-N 1 1 321.352 1.782 20 5 DDBDMO O=C(C[N@H+](CCO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000275458556 212346013 /nfs/dbraw/zinc/34/60/13/212346013.db2.gz BOKXSKCPNBXDPR-UHFFFAOYSA-N 1 1 323.349 1.007 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CN1C(C)=O ZINC000350487486 284205550 /nfs/dbraw/zinc/20/55/50/284205550.db2.gz ZNBBBRJACONNRB-KBPBESRZSA-N 1 1 323.397 1.513 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CN1C(C)=O ZINC000350487486 284205551 /nfs/dbraw/zinc/20/55/51/284205551.db2.gz ZNBBBRJACONNRB-KBPBESRZSA-N 1 1 323.397 1.513 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266094911 205093597 /nfs/dbraw/zinc/09/35/97/205093597.db2.gz QFVSAPDPUYSJQJ-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO C[N@@H+](C[C@H](O)CNCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468340 781965390 /nfs/dbraw/zinc/96/53/90/781965390.db2.gz MGBBDEGPRUUCDR-OAHLLOKOSA-N 1 1 308.382 1.051 20 5 DDBDMO CN(C[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468340 781965399 /nfs/dbraw/zinc/96/53/99/781965399.db2.gz MGBBDEGPRUUCDR-OAHLLOKOSA-N 1 1 308.382 1.051 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478268 249519659 /nfs/dbraw/zinc/51/96/59/249519659.db2.gz UFCUVYKRIREALX-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(CC[N@@H+]1CCn2cnnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000105879317 194154586 /nfs/dbraw/zinc/15/45/86/194154586.db2.gz FQAMVBNGRYQPKW-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(CC[N@H+]1CCn2cnnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000105879317 194154589 /nfs/dbraw/zinc/15/45/89/194154589.db2.gz FQAMVBNGRYQPKW-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000339139772 250312149 /nfs/dbraw/zinc/31/21/49/250312149.db2.gz JEECMDPSJQFTTQ-LBPRGKRZSA-N 1 1 307.350 1.704 20 5 DDBDMO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000109807594 194288375 /nfs/dbraw/zinc/28/83/75/194288375.db2.gz QEPYVLYDDGQGLU-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000109807594 194288377 /nfs/dbraw/zinc/28/83/77/194288377.db2.gz QEPYVLYDDGQGLU-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000340618858 251140624 /nfs/dbraw/zinc/14/06/24/251140624.db2.gz ARKVMRPSXBPFRK-UHFFFAOYSA-N 1 1 306.366 1.855 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023399 207173114 /nfs/dbraw/zinc/17/31/14/207173114.db2.gz QIGAAVSCRRJLHH-QWRGUYRKSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023399 207173118 /nfs/dbraw/zinc/17/31/18/207173118.db2.gz QIGAAVSCRRJLHH-QWRGUYRKSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023399 207173119 /nfs/dbraw/zinc/17/31/19/207173119.db2.gz QIGAAVSCRRJLHH-QWRGUYRKSA-N 1 1 307.354 1.183 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000341042252 251350599 /nfs/dbraw/zinc/35/05/99/251350599.db2.gz HEUQOASJMYLDNJ-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000063512772 184283840 /nfs/dbraw/zinc/28/38/40/184283840.db2.gz HTEGEGKBIVJAOW-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352404120 285028533 /nfs/dbraw/zinc/02/85/33/285028533.db2.gz CGCLMCGKIYZDIR-ZYHUDNBSSA-N 1 1 307.350 1.689 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C(C)(C)C(N)=O)c([N+](=O)[O-])c1 ZINC000295804799 533014849 /nfs/dbraw/zinc/01/48/49/533014849.db2.gz WINZFOUEADIHDC-UHFFFAOYSA-N 1 1 311.338 1.178 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1=CC[N@@H+](C)CC1 ZINC000272915910 210303018 /nfs/dbraw/zinc/30/30/18/210303018.db2.gz JWRVJVLPGVHNJX-SECBINFHSA-N 1 1 322.340 1.696 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352661544 285205311 /nfs/dbraw/zinc/20/53/11/285205311.db2.gz UALZPJGHNAVZEL-UONOGXRCSA-N 1 1 307.350 1.687 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352669322 285212390 /nfs/dbraw/zinc/21/23/90/285212390.db2.gz YUXSYXPHUOUBRE-KBPBESRZSA-N 1 1 307.350 1.769 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490636811 533311640 /nfs/dbraw/zinc/31/16/40/533311640.db2.gz DWMWSYJFBXKOBB-FPLPWBNLSA-N 1 1 321.377 1.693 20 5 DDBDMO CC[NH2+]CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000261631484 407559286 /nfs/dbraw/zinc/55/92/86/407559286.db2.gz BYCOFWDTBQRZDZ-UHFFFAOYSA-N 1 1 320.393 1.515 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068127859 406617690 /nfs/dbraw/zinc/61/76/90/406617690.db2.gz SINACVBUZDOBTL-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000068216794 406625888 /nfs/dbraw/zinc/62/58/88/406625888.db2.gz XDEKJGZNXZTWIQ-VIFPVBQESA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000068216794 406625895 /nfs/dbraw/zinc/62/58/95/406625895.db2.gz XDEKJGZNXZTWIQ-VIFPVBQESA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000068216794 406625899 /nfs/dbraw/zinc/62/58/99/406625899.db2.gz XDEKJGZNXZTWIQ-VIFPVBQESA-N 1 1 317.349 1.684 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123010041 407316474 /nfs/dbraw/zinc/31/64/74/407316474.db2.gz UOOCETHGANSAQR-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000123010041 407316475 /nfs/dbraw/zinc/31/64/75/407316475.db2.gz UOOCETHGANSAQR-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1CO ZINC000101546690 407310657 /nfs/dbraw/zinc/31/06/57/407310657.db2.gz GNENHLPKUWEYGY-GFCCVEGCSA-N 1 1 323.349 1.389 20 5 DDBDMO CC[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123613644 407334352 /nfs/dbraw/zinc/33/43/52/407334352.db2.gz ZXFAUFMJFKBKEG-MRXNPFEDSA-N 1 1 321.377 1.514 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000271012738 407469783 /nfs/dbraw/zinc/46/97/83/407469783.db2.gz ZWMNPPCSHVPJIQ-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000271012738 407469787 /nfs/dbraw/zinc/46/97/87/407469787.db2.gz ZWMNPPCSHVPJIQ-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000151792797 407498490 /nfs/dbraw/zinc/49/84/90/407498490.db2.gz OGPODFUSTUFHKG-QWHCGFSZSA-N 1 1 320.349 1.972 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000112926237 407447710 /nfs/dbraw/zinc/44/77/10/407447710.db2.gz HXBQHWLKEJUPSB-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114063335 407535728 /nfs/dbraw/zinc/53/57/28/407535728.db2.gz XQOHHALUYCLOSM-LLVKDONJSA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114063335 407535730 /nfs/dbraw/zinc/53/57/30/407535730.db2.gz XQOHHALUYCLOSM-LLVKDONJSA-N 1 1 323.349 1.583 20 5 DDBDMO CCS(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000178884046 407639671 /nfs/dbraw/zinc/63/96/71/407639671.db2.gz NJRXKDKEFRXUIM-UHFFFAOYSA-N 1 1 315.395 1.356 20 5 DDBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000266873074 407656619 /nfs/dbraw/zinc/65/66/19/407656619.db2.gz ANLYUSRQTIDWTK-AWEZNQCLSA-N 1 1 321.377 1.608 20 5 DDBDMO Cc1ncc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000179199623 407752115 /nfs/dbraw/zinc/75/21/15/407752115.db2.gz UVJRPNCAWIKAGC-UHFFFAOYSA-N 1 1 308.363 1.653 20 5 DDBDMO Cc1ncc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000179199623 407752121 /nfs/dbraw/zinc/75/21/21/407752121.db2.gz UVJRPNCAWIKAGC-UHFFFAOYSA-N 1 1 308.363 1.653 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000186735022 407763145 /nfs/dbraw/zinc/76/31/45/407763145.db2.gz GCCXAOHJLOSNEO-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173405669 407879501 /nfs/dbraw/zinc/87/95/01/407879501.db2.gz HXIQFYPBYRRSOG-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173405669 407879504 /nfs/dbraw/zinc/87/95/04/407879504.db2.gz HXIQFYPBYRRSOG-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000154057568 407962554 /nfs/dbraw/zinc/96/25/54/407962554.db2.gz RJPBPZLNLBXRJR-HNNXBMFYSA-N 1 1 321.377 1.772 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268171914 407925254 /nfs/dbraw/zinc/92/52/54/407925254.db2.gz QTWXJGVYMYZILG-IINYFYTJSA-N 1 1 318.377 1.849 20 5 DDBDMO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262812750 407942444 /nfs/dbraw/zinc/94/24/44/407942444.db2.gz YLJQOWKADJRFJA-WCBMZHEXSA-N 1 1 317.342 1.010 20 5 DDBDMO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272488351 407943430 /nfs/dbraw/zinc/94/34/30/407943430.db2.gz GXIRMJJMCVPDLT-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(O)CCOCC1 ZINC000189788631 408107641 /nfs/dbraw/zinc/10/76/41/408107641.db2.gz GASXJWMSXKAJNU-UHFFFAOYSA-N 1 1 321.333 1.709 20 5 DDBDMO CCOCC[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137042299 408138647 /nfs/dbraw/zinc/13/86/47/408138647.db2.gz GZYDMGHXTHAYRX-INIZCTEOSA-N 1 1 323.393 1.282 20 5 DDBDMO CN(CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176236268 408320134 /nfs/dbraw/zinc/32/01/34/408320134.db2.gz MQWAAYFINZWGAL-UHFFFAOYSA-N 1 1 303.366 1.860 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000246522863 408281392 /nfs/dbraw/zinc/28/13/92/408281392.db2.gz KUBLSILTVRREKE-HZSPNIEDSA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000246522863 408281398 /nfs/dbraw/zinc/28/13/98/408281398.db2.gz KUBLSILTVRREKE-HZSPNIEDSA-N 1 1 310.354 1.060 20 5 DDBDMO CC(C)[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269369552 408285821 /nfs/dbraw/zinc/28/58/21/408285821.db2.gz LXSFFICMXFRGMM-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269369552 408285825 /nfs/dbraw/zinc/28/58/25/408285825.db2.gz LXSFFICMXFRGMM-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274031420 408302636 /nfs/dbraw/zinc/30/26/36/408302636.db2.gz QLQDDFJCJZDPDN-AWEZNQCLSA-N 1 1 318.377 1.673 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000131941473 162026766 /nfs/dbraw/zinc/02/67/66/162026766.db2.gz OXYUEYIJUHKHFX-VIFPVBQESA-N 1 1 321.366 1.079 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ncccc2[N+](=O)[O-])C1 ZINC000131944184 162026890 /nfs/dbraw/zinc/02/68/90/162026890.db2.gz ICLRYJNBQHHAFA-VIFPVBQESA-N 1 1 321.366 1.079 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631601 408368308 /nfs/dbraw/zinc/36/83/08/408368308.db2.gz FWXWSESOKRYCRB-SMDDNHRTSA-N 1 1 307.350 1.216 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173282400 162329872 /nfs/dbraw/zinc/32/98/72/162329872.db2.gz MUMSSJVNWSKRKU-ZDUSSCGKSA-N 1 1 321.381 1.172 20 5 DDBDMO C[C@@H]1OCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000247993131 408523949 /nfs/dbraw/zinc/52/39/49/408523949.db2.gz JQJBSKOPJPPVAD-SGMGOOAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1OCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000247993131 408523956 /nfs/dbraw/zinc/52/39/56/408523956.db2.gz JQJBSKOPJPPVAD-SGMGOOAPSA-N 1 1 310.350 1.444 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130294 408527879 /nfs/dbraw/zinc/52/78/79/408527879.db2.gz DECHSJVQDGHIHW-PWSUYJOCSA-N 1 1 319.361 1.958 20 5 DDBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402010 408476976 /nfs/dbraw/zinc/47/69/76/408476976.db2.gz HSGGWECHQXAKEF-DGCLKSJQSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402010 408476982 /nfs/dbraw/zinc/47/69/82/408476982.db2.gz HSGGWECHQXAKEF-DGCLKSJQSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177198707 408549509 /nfs/dbraw/zinc/54/95/09/408549509.db2.gz SKEKEJPYNHMTPE-NEPJUHHUSA-N 1 1 319.361 1.715 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000248466316 408574429 /nfs/dbraw/zinc/57/44/29/408574429.db2.gz SEJHFPFMMJRKGZ-CZUORRHYSA-N 1 1 322.361 1.447 20 5 DDBDMO C[C@@H](c1ccncc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551591 408576265 /nfs/dbraw/zinc/57/62/65/408576265.db2.gz BLHSPPCOVNJLTH-FZMZJTMJSA-N 1 1 305.338 1.240 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697402 408618825 /nfs/dbraw/zinc/61/88/25/408618825.db2.gz ARTFGOJESFOSBV-XJFOESAGSA-N 1 1 324.377 1.568 20 5 DDBDMO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccco1 ZINC000184630085 408656814 /nfs/dbraw/zinc/65/68/14/408656814.db2.gz MEPLNKFEUXBJCN-GFCCVEGCSA-N 1 1 307.306 1.327 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746069 408663407 /nfs/dbraw/zinc/66/34/07/408663407.db2.gz HFGOYJOEADUIFR-GRYCIOLGSA-N 1 1 323.397 1.425 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177842787 408727921 /nfs/dbraw/zinc/72/79/21/408727921.db2.gz QBSBOWGDUCLFAG-WFASDCNBSA-N 1 1 321.377 1.801 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177842787 408727927 /nfs/dbraw/zinc/72/79/27/408727927.db2.gz QBSBOWGDUCLFAG-WFASDCNBSA-N 1 1 321.377 1.801 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163605446 408783932 /nfs/dbraw/zinc/78/39/32/408783932.db2.gz ROOLIICVJQQSGG-NSHDSACASA-N 1 1 323.397 1.569 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185311554 408794659 /nfs/dbraw/zinc/79/46/59/408794659.db2.gz DPTKGNYWVGRBSF-NSHDSACASA-N 1 1 321.381 1.280 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCOC1 ZINC000178350492 408810383 /nfs/dbraw/zinc/81/03/83/408810383.db2.gz KUARZKSILNRHRI-LLVKDONJSA-N 1 1 308.334 1.930 20 5 DDBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000162955552 408748205 /nfs/dbraw/zinc/74/82/05/408748205.db2.gz FGJVMEXIJZIKML-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000162955552 408748210 /nfs/dbraw/zinc/74/82/10/408748210.db2.gz FGJVMEXIJZIKML-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285628911 408832423 /nfs/dbraw/zinc/83/24/23/408832423.db2.gz DWTWENZGNXLTMU-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000290794695 408834382 /nfs/dbraw/zinc/83/43/82/408834382.db2.gz OVLVVBFCSUBFLV-CYBMUJFWSA-N 1 1 309.366 1.495 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000286069769 408918153 /nfs/dbraw/zinc/91/81/53/408918153.db2.gz UACXJYRFGOSURT-KGLIPLIRSA-N 1 1 320.349 1.072 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000191193255 163176773 /nfs/dbraw/zinc/17/67/73/163176773.db2.gz VBDVBOQAUVRPQU-QMMMGPOBSA-N 1 1 316.155 1.471 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000292069324 408974165 /nfs/dbraw/zinc/97/41/65/408974165.db2.gz DJPPZUPUGNWZHG-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CCC1 ZINC000292069324 408974168 /nfs/dbraw/zinc/97/41/68/408974168.db2.gz DJPPZUPUGNWZHG-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000277791501 409012536 /nfs/dbraw/zinc/01/25/36/409012536.db2.gz NJIXGLTXAXHXQR-ZJUUUORDSA-N 1 1 321.337 1.022 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292307927 409021974 /nfs/dbraw/zinc/02/19/74/409021974.db2.gz NDSGJJRGPBQLAQ-INIZCTEOSA-N 1 1 319.361 1.528 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000278793468 409089406 /nfs/dbraw/zinc/08/94/06/409089406.db2.gz QMKPPEHQOCXJAW-PHIMTYICSA-N 1 1 320.349 1.164 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000283773301 409213924 /nfs/dbraw/zinc/21/39/24/409213924.db2.gz PQEHCUIKHRTBKU-HNNXBMFYSA-N 1 1 312.366 1.348 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280359178 409299629 /nfs/dbraw/zinc/29/96/29/409299629.db2.gz JPMIMRMNTQOBSB-OAHLLOKOSA-N 1 1 309.366 1.648 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000295154008 409347363 /nfs/dbraw/zinc/34/73/63/409347363.db2.gz MHKYSUWCFVEPEA-LLVKDONJSA-N 1 1 309.366 1.933 20 5 DDBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280536476 409347607 /nfs/dbraw/zinc/34/76/07/409347607.db2.gz PINDOXLJMZUDAN-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280536476 409347614 /nfs/dbraw/zinc/34/76/14/409347614.db2.gz PINDOXLJMZUDAN-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295278125 409411946 /nfs/dbraw/zinc/41/19/46/409411946.db2.gz CSBJHDOGACSFBF-ZDUSSCGKSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280750017 409436693 /nfs/dbraw/zinc/43/66/93/409436693.db2.gz NFEPVVZUZCMBAC-BONVTDFDSA-N 1 1 320.349 1.119 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000322339195 164047143 /nfs/dbraw/zinc/04/71/43/164047143.db2.gz BPZNZCQJDOXCJM-QWRGUYRKSA-N 1 1 320.349 1.815 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000342095064 409561040 /nfs/dbraw/zinc/56/10/40/409561040.db2.gz PAMPWSUYCOJIRQ-UHFFFAOYSA-N 1 1 310.354 1.837 20 5 DDBDMO Cn1nccc1C1=CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000285597512 409504994 /nfs/dbraw/zinc/50/49/94/409504994.db2.gz LVOTZXGDWFTZHB-UHFFFAOYSA-N 1 1 302.338 1.314 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000331595776 409676121 /nfs/dbraw/zinc/67/61/21/409676121.db2.gz YHPBUYQJGQHPJK-GFCCVEGCSA-N 1 1 319.361 1.878 20 5 DDBDMO COc1c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000346316716 409910552 /nfs/dbraw/zinc/91/05/52/409910552.db2.gz IAPXYKOSDCXJHG-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244105 409870872 /nfs/dbraw/zinc/87/08/72/409870872.db2.gz UNHIFFSBEGBRHS-JFGNBEQYSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244105 409870876 /nfs/dbraw/zinc/87/08/76/409870876.db2.gz UNHIFFSBEGBRHS-JFGNBEQYSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244105 409870881 /nfs/dbraw/zinc/87/08/81/409870881.db2.gz UNHIFFSBEGBRHS-JFGNBEQYSA-N 1 1 321.381 1.429 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229483 409872393 /nfs/dbraw/zinc/87/23/93/409872393.db2.gz MBNUOODYTMMJMR-HOSYDEDBSA-N 1 1 307.354 1.120 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000357457084 410051093 /nfs/dbraw/zinc/05/10/93/410051093.db2.gz VAALKWLSJYAIDC-UONOGXRCSA-N 1 1 306.366 1.417 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000298535605 410280436 /nfs/dbraw/zinc/28/04/36/410280436.db2.gz MOVLKYWXRQEAOV-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000351774204 410223754 /nfs/dbraw/zinc/22/37/54/410223754.db2.gz KDJOFYZAYGPGDQ-CHIMOYNISA-N 1 1 307.350 1.543 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000351774204 410223758 /nfs/dbraw/zinc/22/37/58/410223758.db2.gz KDJOFYZAYGPGDQ-CHIMOYNISA-N 1 1 307.350 1.543 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000358035894 410346033 /nfs/dbraw/zinc/34/60/33/410346033.db2.gz BQXZGGXNOFAFOU-JTQLQIEISA-N 1 1 313.379 1.497 20 5 DDBDMO COc1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000355087770 410303462 /nfs/dbraw/zinc/30/34/62/410303462.db2.gz NFBQLXOEODEACN-GFCCVEGCSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1ccc(C[N@H+]2CCSC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000355087770 410303465 /nfs/dbraw/zinc/30/34/65/410303465.db2.gz NFBQLXOEODEACN-GFCCVEGCSA-N 1 1 312.391 1.903 20 5 DDBDMO CCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978200 410386624 /nfs/dbraw/zinc/38/66/24/410386624.db2.gz ODKIEQPHGZOXJX-UHFFFAOYSA-N 1 1 309.366 1.904 20 5 DDBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978200 410386631 /nfs/dbraw/zinc/38/66/31/410386631.db2.gz ODKIEQPHGZOXJX-UHFFFAOYSA-N 1 1 309.366 1.904 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407957 410462624 /nfs/dbraw/zinc/46/26/24/410462624.db2.gz GCOLWDDGDUCFRG-BONVTDFDSA-N 1 1 321.352 1.875 20 5 DDBDMO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000347313627 410463909 /nfs/dbraw/zinc/46/39/09/410463909.db2.gz IIUHGGSENQCYKO-SRXBQZRASA-N 1 1 321.377 1.820 20 5 DDBDMO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000347313627 410463912 /nfs/dbraw/zinc/46/39/12/410463912.db2.gz IIUHGGSENQCYKO-SRXBQZRASA-N 1 1 321.377 1.820 20 5 DDBDMO Cc1nn(C)c(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000355439551 410515485 /nfs/dbraw/zinc/51/54/85/410515485.db2.gz PACLHIMDAUMVNY-UHFFFAOYSA-N 1 1 314.305 1.845 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000355610914 410604943 /nfs/dbraw/zinc/60/49/43/410604943.db2.gz UIAMGJMTEBSGNE-LBPRGKRZSA-N 1 1 324.333 1.103 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000355610914 410604949 /nfs/dbraw/zinc/60/49/49/410604949.db2.gz UIAMGJMTEBSGNE-LBPRGKRZSA-N 1 1 324.333 1.103 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000299221370 410572678 /nfs/dbraw/zinc/57/26/78/410572678.db2.gz NGZCCQJLIFHMAS-HIFRSBDPSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330572851 410788663 /nfs/dbraw/zinc/78/86/63/410788663.db2.gz DTAOXANNMQNKOY-STQMWFEESA-N 1 1 320.393 1.866 20 5 DDBDMO Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301762963 410790583 /nfs/dbraw/zinc/79/05/83/410790583.db2.gz MQRYOZOFWIIVPM-OAHLLOKOSA-N 1 1 309.366 1.398 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301921805 410830536 /nfs/dbraw/zinc/83/05/36/410830536.db2.gz DQHFUNQBYVCOQC-RYUDHWBXSA-N 1 1 323.397 1.556 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301921805 410830541 /nfs/dbraw/zinc/83/05/41/410830541.db2.gz DQHFUNQBYVCOQC-RYUDHWBXSA-N 1 1 323.397 1.556 20 5 DDBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343962753 410854411 /nfs/dbraw/zinc/85/44/11/410854411.db2.gz CNBDLTGLTFYFNN-MNOVXSKESA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343962753 410854428 /nfs/dbraw/zinc/85/44/28/410854428.db2.gz CNBDLTGLTFYFNN-MNOVXSKESA-N 1 1 313.379 1.356 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000330660862 410856643 /nfs/dbraw/zinc/85/66/43/410856643.db2.gz BVJXSTVEQRILKA-JTQLQIEISA-N 1 1 321.333 1.158 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000330660862 410856647 /nfs/dbraw/zinc/85/66/47/410856647.db2.gz BVJXSTVEQRILKA-JTQLQIEISA-N 1 1 321.333 1.158 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330678259 410874183 /nfs/dbraw/zinc/87/41/83/410874183.db2.gz WLJHKOFSPGOMIQ-LBPRGKRZSA-N 1 1 306.366 1.194 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344038839 410912202 /nfs/dbraw/zinc/91/22/02/410912202.db2.gz GKCPKLRRRBTWPL-WHOFXGATSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344038839 410912206 /nfs/dbraw/zinc/91/22/06/410912206.db2.gz GKCPKLRRRBTWPL-WHOFXGATSA-N 1 1 319.361 1.544 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344054450 410923769 /nfs/dbraw/zinc/92/37/69/410923769.db2.gz IXZSRJJQWUKLAJ-CORIIIEPSA-N 1 1 322.361 1.685 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613049712 416674331 /nfs/dbraw/zinc/67/43/31/416674331.db2.gz ORKFNVVUYQPFPU-AWEZNQCLSA-N 1 1 303.322 1.017 20 5 DDBDMO COc1cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419344561 226125678 /nfs/dbraw/zinc/12/56/78/226125678.db2.gz SAOSHEOHHYWYNH-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO COCC[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000291327643 222315898 /nfs/dbraw/zinc/31/58/98/222315898.db2.gz VIGCKJXSPMOLMP-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO COCC[C@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000291327643 222315900 /nfs/dbraw/zinc/31/59/00/222315900.db2.gz VIGCKJXSPMOLMP-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000358056822 418652460 /nfs/dbraw/zinc/65/24/60/418652460.db2.gz BQPBHOINOVFAMS-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000361662030 418697442 /nfs/dbraw/zinc/69/74/42/418697442.db2.gz PFSWXKMPMJJOFV-CMPLNLGQSA-N 1 1 310.350 1.672 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000408025353 418782423 /nfs/dbraw/zinc/78/24/23/418782423.db2.gz BCEFJGYNIBODNU-STQMWFEESA-N 1 1 306.366 1.516 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232282 418770561 /nfs/dbraw/zinc/77/05/61/418770561.db2.gz ROBIQQXDXUMAES-CHWSQXEVSA-N 1 1 319.361 1.892 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364762704 418809419 /nfs/dbraw/zinc/80/94/19/418809419.db2.gz RXIOGFKFZNGYIS-ZDUSSCGKSA-N 1 1 301.350 1.788 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936981 419367937 /nfs/dbraw/zinc/36/79/37/419367937.db2.gz JFWLARRQKOJEGQ-QWHCGFSZSA-N 1 1 321.377 1.508 20 5 DDBDMO CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420996384 419433291 /nfs/dbraw/zinc/43/32/91/419433291.db2.gz ASIHCLMGNBBSEO-UHFFFAOYSA-N 1 1 301.368 1.215 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[N@H+]1C ZINC000421003171 419440448 /nfs/dbraw/zinc/44/04/48/419440448.db2.gz MWACXAADCICEON-AWEZNQCLSA-N 1 1 321.377 1.987 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412033742 419576927 /nfs/dbraw/zinc/57/69/27/419576927.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412033742 419576933 /nfs/dbraw/zinc/57/69/33/419576933.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412033742 419576947 /nfs/dbraw/zinc/57/69/47/419576947.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412033742 419576957 /nfs/dbraw/zinc/57/69/57/419576957.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412033742 419576967 /nfs/dbraw/zinc/57/69/67/419576967.db2.gz SFUVQOMIDIIIJJ-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000427594977 419691807 /nfs/dbraw/zinc/69/18/07/419691807.db2.gz BSFTXJJTWJRXHB-NSHDSACASA-N 1 1 307.354 1.120 20 5 DDBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000299399633 229098697 /nfs/dbraw/zinc/09/86/97/229098697.db2.gz KEORYNAYEXGBGY-GFCCVEGCSA-N 1 1 314.345 1.996 20 5 DDBDMO C[N@@H+](CCCNC(=O)C1CCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000429537235 420023991 /nfs/dbraw/zinc/02/39/91/420023991.db2.gz DYYKJWWDGCGPDI-UHFFFAOYSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289733 420307764 /nfs/dbraw/zinc/30/77/64/420307764.db2.gz FVYPLCBYYBZAGA-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000416289733 420307768 /nfs/dbraw/zinc/30/77/68/420307768.db2.gz FVYPLCBYYBZAGA-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000420606987 420329526 /nfs/dbraw/zinc/32/95/26/420329526.db2.gz ZBXYWDQTLAGUIX-YPMHNXCESA-N 1 1 318.377 1.614 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416383556 420351114 /nfs/dbraw/zinc/35/11/14/420351114.db2.gz DWZSRIPZLGUGLJ-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416383556 420351118 /nfs/dbraw/zinc/35/11/18/420351118.db2.gz DWZSRIPZLGUGLJ-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457004735 420585863 /nfs/dbraw/zinc/58/58/63/420585863.db2.gz YMWPRHXNVZLNPA-LBPRGKRZSA-N 1 1 301.302 1.975 20 5 DDBDMO C[N@@H+](CCCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000440957516 420621606 /nfs/dbraw/zinc/62/16/06/420621606.db2.gz MCESTAWBJNVYMY-UHFFFAOYSA-N 1 1 309.322 1.207 20 5 DDBDMO CN(C(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000443070149 420742360 /nfs/dbraw/zinc/74/23/60/420742360.db2.gz KTAUACHHIHUOJL-CYBMUJFWSA-N 1 1 320.393 1.618 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493046674 420743456 /nfs/dbraw/zinc/74/34/56/420743456.db2.gz KJVNOAOTUOMQJW-NFAHFFEMSA-N 1 1 307.325 1.768 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCCC1 ZINC000449093010 420948235 /nfs/dbraw/zinc/94/82/35/420948235.db2.gz NUYUDQLDHRTGPJ-DZGCQCFKSA-N 1 1 307.394 1.572 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCC1 ZINC000449093010 420948236 /nfs/dbraw/zinc/94/82/36/420948236.db2.gz NUYUDQLDHRTGPJ-DZGCQCFKSA-N 1 1 307.394 1.572 20 5 DDBDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449444195 421012499 /nfs/dbraw/zinc/01/24/99/421012499.db2.gz ZAUGVUPDMVDZGK-SNVBAGLBSA-N 1 1 319.358 1.151 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487514944 421032420 /nfs/dbraw/zinc/03/24/20/421032420.db2.gz KHQTVVDCKUSRLE-AAEUAGOBSA-N 1 1 321.381 1.153 20 5 DDBDMO CNc1nc(C(=O)NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000456073303 421095645 /nfs/dbraw/zinc/09/56/45/421095645.db2.gz VUVONBUVZBPZPU-UHFFFAOYSA-N 1 1 319.365 1.413 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488767292 421115178 /nfs/dbraw/zinc/11/51/78/421115178.db2.gz VTVTVGZCRIXWSI-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488767292 421115183 /nfs/dbraw/zinc/11/51/83/421115183.db2.gz VTVTVGZCRIXWSI-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000560615620 421285259 /nfs/dbraw/zinc/28/52/59/421285259.db2.gz NXVNJBUIVGWGDY-CQSZACIVSA-N 1 1 321.377 1.987 20 5 DDBDMO COc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525293087 421286954 /nfs/dbraw/zinc/28/69/54/421286954.db2.gz WHMPMZQFESVUTB-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000518599851 421661946 /nfs/dbraw/zinc/66/19/46/421661946.db2.gz UYJUEOJCWWUXDZ-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000518599851 421661950 /nfs/dbraw/zinc/66/19/50/421661950.db2.gz UYJUEOJCWWUXDZ-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000572660983 421809294 /nfs/dbraw/zinc/80/92/94/421809294.db2.gz YJACTGUIAPOUKT-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000572206650 421769749 /nfs/dbraw/zinc/76/97/49/421769749.db2.gz STWSNVCMVWDVMK-UHFFFAOYSA-N 1 1 306.370 1.944 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000572206650 421769751 /nfs/dbraw/zinc/76/97/51/421769751.db2.gz STWSNVCMVWDVMK-UHFFFAOYSA-N 1 1 306.370 1.944 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000521141644 421773733 /nfs/dbraw/zinc/77/37/33/421773733.db2.gz TXZVLKBTJSTIGR-UHFFFAOYSA-N 1 1 323.397 1.583 20 5 DDBDMO O=c1[nH]c(N[C@@H]2CC[N@H+](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000596092996 422365438 /nfs/dbraw/zinc/36/54/38/422365438.db2.gz YXRZSGMNQMAJQN-SECBINFHSA-N 1 1 315.333 1.892 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597922619 422391612 /nfs/dbraw/zinc/39/16/12/422391612.db2.gz JKTMMTUJDMYVLH-SECBINFHSA-N 1 1 307.354 1.175 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344431267 272025220 /nfs/dbraw/zinc/02/52/20/272025220.db2.gz SLUFEBUMJSRHHC-BETUJISGSA-N 1 1 321.377 1.915 20 5 DDBDMO CO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067399371 274079220 /nfs/dbraw/zinc/07/92/20/274079220.db2.gz QTDCVUWOSYGQTH-LSDHHAIUSA-N 1 1 319.361 1.811 20 5 DDBDMO CO[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067399371 274079222 /nfs/dbraw/zinc/07/92/22/274079222.db2.gz QTDCVUWOSYGQTH-LSDHHAIUSA-N 1 1 319.361 1.811 20 5 DDBDMO COc1cccc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000290948198 278016434 /nfs/dbraw/zinc/01/64/34/278016434.db2.gz MJZJXRIGDQDSNF-UHFFFAOYSA-N 1 1 303.322 1.653 20 5 DDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000193567000 279734066 /nfs/dbraw/zinc/73/40/66/279734066.db2.gz CHLSMWBPIZPQFM-TVQRCGJNSA-N 1 1 321.333 1.076 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000123882352 288242531 /nfs/dbraw/zinc/24/25/31/288242531.db2.gz LHMWSEKAIDAYNM-RKDXNWHRSA-N 1 1 317.342 1.105 20 5 DDBDMO COC(=O)CN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363562809 307031395 /nfs/dbraw/zinc/03/13/95/307031395.db2.gz ODCGSVXSEOLBKN-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO COc1ccc(CN[C@H](C)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951210 533694483 /nfs/dbraw/zinc/69/44/83/533694483.db2.gz ZWAARSCEDWYBJX-DGCLKSJQSA-N 1 1 309.366 1.460 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)cc1 ZINC000354038313 298346010 /nfs/dbraw/zinc/34/60/10/298346010.db2.gz KAOZOHGPMKJUMW-GFCCVEGCSA-N 1 1 322.283 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)cc1 ZINC000354038313 298346012 /nfs/dbraw/zinc/34/60/12/298346012.db2.gz KAOZOHGPMKJUMW-GFCCVEGCSA-N 1 1 322.283 1.702 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362077781 300001342 /nfs/dbraw/zinc/00/13/42/300001342.db2.gz ONVIWAJOJUSOJD-STQMWFEESA-N 1 1 321.377 1.792 20 5 DDBDMO CC[C@H]1C[N@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000362660940 300112087 /nfs/dbraw/zinc/11/20/87/300112087.db2.gz BDPFYVDUDBEOEV-LBPRGKRZSA-N 1 1 319.365 1.416 20 5 DDBDMO CC[C@H]1C[N@@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000362660940 300112090 /nfs/dbraw/zinc/11/20/90/300112090.db2.gz BDPFYVDUDBEOEV-LBPRGKRZSA-N 1 1 319.365 1.416 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000368404317 301020194 /nfs/dbraw/zinc/02/01/94/301020194.db2.gz LIHNCFGZVNSCLG-NWDGAFQWSA-N 1 1 323.378 1.446 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000368404317 301020196 /nfs/dbraw/zinc/02/01/96/301020196.db2.gz LIHNCFGZVNSCLG-NWDGAFQWSA-N 1 1 323.378 1.446 20 5 DDBDMO C[C@@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810574 301091833 /nfs/dbraw/zinc/09/18/33/301091833.db2.gz OOECYWHQNRSTFQ-GXTWGEPZSA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366471708 307074498 /nfs/dbraw/zinc/07/44/98/307074498.db2.gz ICWKESIPZMEXMG-UMVBOHGHSA-N 1 1 322.361 1.588 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367377993 307092367 /nfs/dbraw/zinc/09/23/67/307092367.db2.gz NVERFTSOIPHBAB-GHMZBOCLSA-N 1 1 320.349 1.119 20 5 DDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C)C1 ZINC000156543346 523851073 /nfs/dbraw/zinc/85/10/73/523851073.db2.gz WOPCRDPINVSIQE-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000433246383 528009162 /nfs/dbraw/zinc/00/91/62/528009162.db2.gz LNVPGDBPMAMSOU-CQSZACIVSA-N 1 1 312.366 1.691 20 5 DDBDMO CCOC(=O)c1cc(-c2nc(C[NH2+]C)no2)cc([N+](=O)[O-])c1 ZINC000414648061 528134635 /nfs/dbraw/zinc/13/46/35/528134635.db2.gz VASHAEWCVMQGLG-UHFFFAOYSA-N 1 1 306.278 1.541 20 5 DDBDMO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000748128316 700101007 /nfs/dbraw/zinc/10/10/07/700101007.db2.gz DDXBBURXMYFOCY-TUAOUCFPSA-N 1 1 310.354 1.596 20 5 DDBDMO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000983658664 697287158 /nfs/dbraw/zinc/28/71/58/697287158.db2.gz ZJMDZTPELWYVQU-FPQZTECRSA-N 1 1 324.406 1.101 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000164563987 697336820 /nfs/dbraw/zinc/33/68/20/697336820.db2.gz FTJQSONDZGXEON-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000164563987 697336822 /nfs/dbraw/zinc/33/68/22/697336822.db2.gz FTJQSONDZGXEON-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000172491543 697368292 /nfs/dbraw/zinc/36/82/92/697368292.db2.gz ZBCSKVLWABWFBE-GFCCVEGCSA-N 1 1 310.354 1.451 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000172491543 697368295 /nfs/dbraw/zinc/36/82/95/697368295.db2.gz ZBCSKVLWABWFBE-GFCCVEGCSA-N 1 1 310.354 1.451 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccco1 ZINC000195128616 697731457 /nfs/dbraw/zinc/73/14/57/697731457.db2.gz CMTGECZGOXEBTD-CYBMUJFWSA-N 1 1 318.333 1.803 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000233826230 697790523 /nfs/dbraw/zinc/79/05/23/697790523.db2.gz XKRMXKTWPTXPJC-UHFFFAOYSA-N 1 1 302.352 1.128 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954423 700194367 /nfs/dbraw/zinc/19/43/67/700194367.db2.gz LCQMZBCAWGJEDG-UHFFFAOYSA-N 1 1 321.337 1.490 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CC3)OCCO4)nc2c1 ZINC000776100536 698066598 /nfs/dbraw/zinc/06/65/98/698066598.db2.gz SAMGDHQDIGJVCL-UHFFFAOYSA-N 1 1 318.333 1.810 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581310 698121158 /nfs/dbraw/zinc/12/11/58/698121158.db2.gz CIXQDFVVUYMATI-GJZGRUSLSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581310 698121161 /nfs/dbraw/zinc/12/11/61/698121161.db2.gz CIXQDFVVUYMATI-GJZGRUSLSA-N 1 1 319.361 1.371 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000776587135 698122613 /nfs/dbraw/zinc/12/26/13/698122613.db2.gz ULYPECVAELXWFB-RBSFLKMASA-N 1 1 324.402 1.835 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525612 698734234 /nfs/dbraw/zinc/73/42/34/698734234.db2.gz ZHZBTKDULMWVKI-KOLCDFICSA-N 1 1 311.313 1.518 20 5 DDBDMO CCN(CC)C(=O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000725848382 699336030 /nfs/dbraw/zinc/33/60/30/699336030.db2.gz PKKNRKAIPLEEKR-UHFFFAOYSA-N 1 1 311.338 1.267 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000729528432 699481542 /nfs/dbraw/zinc/48/15/42/699481542.db2.gz AUIBIBMLFQTZKY-LBPRGKRZSA-N 1 1 320.393 1.947 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000742238920 699868739 /nfs/dbraw/zinc/86/87/39/699868739.db2.gz IQOPKKSCNFFZNH-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000795677263 699883232 /nfs/dbraw/zinc/88/32/32/699883232.db2.gz YEATYUPAQMKBCX-BETUJISGSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000795677263 699883235 /nfs/dbraw/zinc/88/32/35/699883235.db2.gz YEATYUPAQMKBCX-BETUJISGSA-N 1 1 317.349 1.920 20 5 DDBDMO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)NC ZINC000743843550 699928619 /nfs/dbraw/zinc/92/86/19/699928619.db2.gz XCISOXZHDCKBHX-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)NC ZINC000743843550 699928621 /nfs/dbraw/zinc/92/86/21/699928621.db2.gz XCISOXZHDCKBHX-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO CC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)OCCCO1 ZINC000752925112 700396718 /nfs/dbraw/zinc/39/67/18/700396718.db2.gz SRKJKNAKQZDJES-UHFFFAOYSA-N 1 1 324.333 1.609 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761067601 700838116 /nfs/dbraw/zinc/83/81/16/700838116.db2.gz FYWYKDJWQKISFF-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000761081935 700841902 /nfs/dbraw/zinc/84/19/02/700841902.db2.gz OWNYBOAZBLSBQQ-NSHDSACASA-N 1 1 307.350 1.597 20 5 DDBDMO C/C(=C/C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721492 700904700 /nfs/dbraw/zinc/90/47/00/700904700.db2.gz NKJAXMPIXPXARU-HMWXGYMHSA-N 1 1 319.361 1.181 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000771850404 701334123 /nfs/dbraw/zinc/33/41/23/701334123.db2.gz KBDKKAKQINITSY-UHFFFAOYSA-N 1 1 305.290 1.722 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnn(C)n1 ZINC000806167203 701428431 /nfs/dbraw/zinc/42/84/31/701428431.db2.gz OHEVXYFZAVVCRO-SNVBAGLBSA-N 1 1 318.337 1.230 20 5 DDBDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000839601746 701750082 /nfs/dbraw/zinc/75/00/82/701750082.db2.gz NIHVICRATWEQMU-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000839601746 701750084 /nfs/dbraw/zinc/75/00/84/701750084.db2.gz NIHVICRATWEQMU-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000810615856 701801504 /nfs/dbraw/zinc/80/15/04/701801504.db2.gz OKTSQNXBHBCVBA-SECBINFHSA-N 1 1 307.310 1.562 20 5 DDBDMO CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000867970198 701862496 /nfs/dbraw/zinc/86/24/96/701862496.db2.gz XLXMFFWTIXRHSW-JSGCOSHPSA-N 1 1 309.391 1.733 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)n1 ZINC000879244223 706627610 /nfs/dbraw/zinc/62/76/10/706627610.db2.gz PHSWNPLSDZTMLH-GDBMZVCRSA-N 1 1 316.361 1.989 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000816954721 702238678 /nfs/dbraw/zinc/23/86/78/702238678.db2.gz JJNZEHZHEDHZFL-RNCFNFMXSA-N 1 1 320.305 1.279 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C1 ZINC000844948977 703088899 /nfs/dbraw/zinc/08/88/99/703088899.db2.gz HRTQXZFBOBWXFZ-UHFFFAOYSA-N 1 1 315.414 1.391 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000852434046 704047661 /nfs/dbraw/zinc/04/76/61/704047661.db2.gz WGMHUDIGWSHXEX-CYBMUJFWSA-N 1 1 321.333 1.500 20 5 DDBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819289647 704101791 /nfs/dbraw/zinc/10/17/91/704101791.db2.gz NAIPURLBDBKQDN-CYBMUJFWSA-N 1 1 319.365 1.765 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000819323312 704107249 /nfs/dbraw/zinc/10/72/49/704107249.db2.gz ZIBAMQBWSVVNRL-XHDPSFHLSA-N 1 1 302.334 1.498 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870875064 704153726 /nfs/dbraw/zinc/15/37/26/704153726.db2.gz UUHQYJKQFHGTPP-MRXNPFEDSA-N 1 1 318.377 1.075 20 5 DDBDMO COC[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497814 704250717 /nfs/dbraw/zinc/25/07/17/704250717.db2.gz GQFLASLLXSYOPD-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497814 704250720 /nfs/dbraw/zinc/25/07/20/704250720.db2.gz GQFLASLLXSYOPD-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000855287657 704477353 /nfs/dbraw/zinc/47/73/53/704477353.db2.gz RHCHINRYFBOAFH-NSHDSACASA-N 1 1 306.366 1.780 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858867159 704766269 /nfs/dbraw/zinc/76/62/69/704766269.db2.gz CTTMCSJVWDMUES-QMMMGPOBSA-N 1 1 303.721 1.866 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826633091 705830338 /nfs/dbraw/zinc/83/03/38/705830338.db2.gz OEJOBIHIPOQATD-TXEJJXNPSA-N 1 1 308.382 1.722 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000828095283 706117627 /nfs/dbraw/zinc/11/76/27/706117627.db2.gz LWXFGHNKNAAQTN-XUJVJEKNSA-N 1 1 321.377 1.569 20 5 DDBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608271 706158366 /nfs/dbraw/zinc/15/83/66/706158366.db2.gz ODRSQNPIKDUHAW-QWHCGFSZSA-N 1 1 322.361 1.567 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000828461507 706184313 /nfs/dbraw/zinc/18/43/13/706184313.db2.gz ZWBPZQIQQXBPRG-GFCCVEGCSA-N 1 1 324.337 1.762 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000864963737 706314115 /nfs/dbraw/zinc/31/41/15/706314115.db2.gz YMRGIHMPTXOJCM-LLVKDONJSA-N 1 1 321.352 1.877 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@]1(O)CCc2ccccc21 ZINC000829338053 706320891 /nfs/dbraw/zinc/32/08/91/706320891.db2.gz QLFNREHEVAQVMW-MRXNPFEDSA-N 1 1 316.361 1.557 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CCCO1 ZINC000830486479 706524675 /nfs/dbraw/zinc/52/46/75/706524675.db2.gz FNXDMEJCIZZFNN-CYBMUJFWSA-N 1 1 315.414 1.439 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880144504 706891227 /nfs/dbraw/zinc/89/12/27/706891227.db2.gz GLKQVKCTLZBGTF-GFCCVEGCSA-N 1 1 321.377 1.650 20 5 DDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1ccccc1 ZINC000880461950 706982409 /nfs/dbraw/zinc/98/24/09/706982409.db2.gz NXQWNTOQBIQXIC-CQSZACIVSA-N 1 1 304.350 1.847 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564953 707020049 /nfs/dbraw/zinc/02/00/49/707020049.db2.gz ALSKIPFRDOPQGH-IAQYHMDHSA-N 1 1 308.334 1.574 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000872726656 707573893 /nfs/dbraw/zinc/57/38/93/707573893.db2.gz UEAOAUKBONLFGV-HIFRSBDPSA-N 1 1 315.377 1.928 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897221629 708259151 /nfs/dbraw/zinc/25/91/51/708259151.db2.gz NXPCAXCOMKJUPJ-KGLIPLIRSA-N 1 1 305.378 1.939 20 5 DDBDMO COC(=O)c1cnc(NCC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000897247772 708267952 /nfs/dbraw/zinc/26/79/52/708267952.db2.gz DQXCGIOVFMRIFH-UHFFFAOYSA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1cc(NCC[N@@H+](C)CCO)c2cccc([N+](=O)[O-])c2n1 ZINC000884825387 708388057 /nfs/dbraw/zinc/38/80/57/708388057.db2.gz UEXIDUKNPZUXGV-UHFFFAOYSA-N 1 1 304.350 1.787 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885857334 708640681 /nfs/dbraw/zinc/64/06/81/708640681.db2.gz AYCWYMOOHKFWBY-ZDUSSCGKSA-N 1 1 319.361 1.578 20 5 DDBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886019400 708682190 /nfs/dbraw/zinc/68/21/90/708682190.db2.gz SQJZJIXTLDFVHI-UONOGXRCSA-N 1 1 321.377 1.742 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886341407 708745875 /nfs/dbraw/zinc/74/58/75/708745875.db2.gz URFWAKYPIKGMEE-GARJFASQSA-N 1 1 305.334 1.882 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886341407 708745876 /nfs/dbraw/zinc/74/58/76/708745876.db2.gz URFWAKYPIKGMEE-GARJFASQSA-N 1 1 305.334 1.882 20 5 DDBDMO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000898835477 708884255 /nfs/dbraw/zinc/88/42/55/708884255.db2.gz NPGAMDHQBBQGDL-UONOGXRCSA-N 1 1 319.361 1.903 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1C ZINC000899146370 709000245 /nfs/dbraw/zinc/00/02/45/709000245.db2.gz YAEPAZOAZIBYOP-GFCCVEGCSA-N 1 1 307.350 1.008 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887927743 709166722 /nfs/dbraw/zinc/16/67/22/709166722.db2.gz HBPWMDIZVSLMPP-WBMJQRKESA-N 1 1 303.362 1.927 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@@H+](C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739941 713080075 /nfs/dbraw/zinc/08/00/75/713080075.db2.gz KSLCERPVUGYWPH-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@H+](C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739941 713080077 /nfs/dbraw/zinc/08/00/77/713080077.db2.gz KSLCERPVUGYWPH-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000890081096 709739485 /nfs/dbraw/zinc/73/94/85/709739485.db2.gz BSOLUAPYGPVYCN-UHFFFAOYSA-N 1 1 321.377 1.822 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC[NH+](CCO)CC1 ZINC000891434846 710200454 /nfs/dbraw/zinc/20/04/54/710200454.db2.gz ZUEDUDJOURLZGS-UHFFFAOYSA-N 1 1 320.324 1.396 20 5 DDBDMO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000892112652 710374152 /nfs/dbraw/zinc/37/41/52/710374152.db2.gz UEZCKTLOXKANKH-BNOWGMLFSA-N 1 1 318.377 1.859 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928431519 713192726 /nfs/dbraw/zinc/19/27/26/713192726.db2.gz FBEXYQXVJIIWOX-BXUZGUMPSA-N 1 1 319.361 1.767 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000911502687 710825812 /nfs/dbraw/zinc/82/58/12/710825812.db2.gz SMPRJIHFHBWBGL-LBPRGKRZSA-N 1 1 320.349 1.296 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893941965 710895012 /nfs/dbraw/zinc/89/50/12/710895012.db2.gz XULUMRVBBJOEQD-WCBMZHEXSA-N 1 1 305.363 1.740 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000928559273 713226566 /nfs/dbraw/zinc/22/65/66/713226566.db2.gz WXXWLSZPQLDJCH-SECBINFHSA-N 1 1 315.276 1.630 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000928559273 713226567 /nfs/dbraw/zinc/22/65/67/713226567.db2.gz WXXWLSZPQLDJCH-SECBINFHSA-N 1 1 315.276 1.630 20 5 DDBDMO C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912377503 711300796 /nfs/dbraw/zinc/30/07/96/711300796.db2.gz ORUDJEATZDSUOM-HNNXBMFYSA-N 1 1 305.334 1.515 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000896203897 711690865 /nfs/dbraw/zinc/69/08/65/711690865.db2.gz AEUOCKGATUCXCF-GFCCVEGCSA-N 1 1 321.377 1.350 20 5 DDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)c(F)c1 ZINC000905189925 711963627 /nfs/dbraw/zinc/96/36/27/711963627.db2.gz JNDKNMBRANGKPJ-NSHDSACASA-N 1 1 301.705 1.451 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907106723 712488985 /nfs/dbraw/zinc/48/89/85/712488985.db2.gz LXJWTONNKRRGOW-UHFFFAOYSA-N 1 1 321.333 1.192 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000917481077 713499942 /nfs/dbraw/zinc/49/99/42/713499942.db2.gz XZHNEJAECOSWED-SNVBAGLBSA-N 1 1 304.306 1.397 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000917481077 713499944 /nfs/dbraw/zinc/49/99/44/713499944.db2.gz XZHNEJAECOSWED-SNVBAGLBSA-N 1 1 304.306 1.397 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933216833 714538794 /nfs/dbraw/zinc/53/87/94/714538794.db2.gz FNCZLEIUFYIGBJ-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO Cn1nccc1[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000933531148 714610250 /nfs/dbraw/zinc/61/02/50/714610250.db2.gz LVFXMXXNZNGYNC-INIZCTEOSA-N 1 1 316.361 1.944 20 5 DDBDMO Cn1nccc1[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000933531148 714610251 /nfs/dbraw/zinc/61/02/51/714610251.db2.gz LVFXMXXNZNGYNC-INIZCTEOSA-N 1 1 316.361 1.944 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934121501 714747699 /nfs/dbraw/zinc/74/76/99/714747699.db2.gz NARZHFGRVQTBRZ-STQMWFEESA-N 1 1 323.349 1.651 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000934121501 714747700 /nfs/dbraw/zinc/74/77/00/714747700.db2.gz NARZHFGRVQTBRZ-STQMWFEESA-N 1 1 323.349 1.651 20 5 DDBDMO O=C1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934155737 714756475 /nfs/dbraw/zinc/75/64/75/714756475.db2.gz SQPKTTREOUERDI-HNNXBMFYSA-N 1 1 321.377 1.620 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934275915 714784366 /nfs/dbraw/zinc/78/43/66/714784366.db2.gz RXEXAESRAXJRFJ-ZIAGYGMSSA-N 1 1 306.366 1.021 20 5 DDBDMO C[C@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925343007 714820360 /nfs/dbraw/zinc/82/03/60/714820360.db2.gz KVTHVQZDCIDNMQ-GXTWGEPZSA-N 1 1 320.393 1.871 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164631362 719253914 /nfs/dbraw/zinc/25/39/14/719253914.db2.gz DODQEMVSIJWTFV-BDAKNGLRSA-N 1 1 322.369 1.180 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164631362 719253917 /nfs/dbraw/zinc/25/39/17/719253917.db2.gz DODQEMVSIJWTFV-BDAKNGLRSA-N 1 1 322.369 1.180 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000590694493 719481745 /nfs/dbraw/zinc/48/17/45/719481745.db2.gz XDWXIXXHPVIZHH-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CC1 ZINC001025799442 736859457 /nfs/dbraw/zinc/85/94/57/736859457.db2.gz JTICKMICDSBYSH-FICVDOATSA-N 1 1 315.373 1.941 20 5 DDBDMO CC(=O)N1CCc2cc(N[C@H]3CC[N@H+](C)C3)cc([N+](=O)[O-])c21 ZINC001167280647 732895205 /nfs/dbraw/zinc/89/52/05/732895205.db2.gz AGXAFPWONUALSP-LBPRGKRZSA-N 1 1 304.350 1.620 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@H]3COCCO3)ccc([N+](=O)[O-])c2C1 ZINC001168272946 741990431 /nfs/dbraw/zinc/99/04/31/741990431.db2.gz ZHQIDJGQDONBRL-NSHDSACASA-N 1 1 307.350 1.410 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@H]3COCCO3)ccc([N+](=O)[O-])c2C1 ZINC001168272946 741990435 /nfs/dbraw/zinc/99/04/35/741990435.db2.gz ZHQIDJGQDONBRL-NSHDSACASA-N 1 1 307.350 1.410 20 5 DDBDMO O=C(NC1CC[NH+](CC2CC3(CCC3)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787982 743429777 /nfs/dbraw/zinc/42/97/77/743429777.db2.gz KZJVNKQGLFFQAS-HUUCEWRRSA-N 1 1 321.421 1.813 20 5 DDBDMO CC(C)OCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195770087 746692591 /nfs/dbraw/zinc/69/25/91/746692591.db2.gz OQJBGQRAQXXBQA-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CC(C)OCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195770087 746692593 /nfs/dbraw/zinc/69/25/93/746692593.db2.gz OQJBGQRAQXXBQA-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CC(C)OCCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195770087 746692599 /nfs/dbraw/zinc/69/25/99/746692599.db2.gz OQJBGQRAQXXBQA-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO Cc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996430060 749589312 /nfs/dbraw/zinc/58/93/12/749589312.db2.gz ZDZWSXNLHIAYNU-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018750 762199074 /nfs/dbraw/zinc/19/90/74/762199074.db2.gz DIQCMSLLZLLXRR-UBHSHLNASA-N 1 1 308.382 1.411 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046745 762204753 /nfs/dbraw/zinc/20/47/53/762204753.db2.gz MKCKNRQCOBDCHI-UTUOFQBUSA-N 1 1 302.396 1.412 20 5 DDBDMO COc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054472 762210242 /nfs/dbraw/zinc/21/02/42/762210242.db2.gz MEGADDRCOXJBCA-VNHYZAJKSA-N 1 1 321.377 1.989 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@H](O)C(F)(F)F)ccc([N+](=O)[O-])c2C1 ZINC001169459434 762448191 /nfs/dbraw/zinc/44/81/91/762448191.db2.gz RYNNRKDSBSFHPX-LBPRGKRZSA-N 1 1 319.283 1.918 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@H](O)C(F)(F)F)ccc([N+](=O)[O-])c2C1 ZINC001169459434 762448193 /nfs/dbraw/zinc/44/81/93/762448193.db2.gz RYNNRKDSBSFHPX-LBPRGKRZSA-N 1 1 319.283 1.918 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC001109496184 763754509 /nfs/dbraw/zinc/75/45/09/763754509.db2.gz HGABYUUPGLDLDU-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO COc1ccc(C[C@H](C)[NH+]2CC3(CN(C)C3)C2)c([N+](=O)[O-])c1 ZINC001170355466 766261916 /nfs/dbraw/zinc/26/19/16/766261916.db2.gz GCODTQYAKYWDJP-LBPRGKRZSA-N 1 1 305.378 1.782 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001170900195 771898767 /nfs/dbraw/zinc/89/87/67/771898767.db2.gz QBBAZUQWDKKCKH-VIFPVBQESA-N 1 1 321.150 1.932 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093953265 775262178 /nfs/dbraw/zinc/26/21/78/775262178.db2.gz UFTAGJPRIGPOQH-UHFFFAOYSA-N 1 1 309.370 1.248 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001173220966 777053360 /nfs/dbraw/zinc/05/33/60/777053360.db2.gz DTOUANAQJFLNGQ-WQVCFCJDSA-N 1 1 305.378 1.541 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001173222786 777055791 /nfs/dbraw/zinc/05/57/91/777055791.db2.gz VPBHAYCIMQMLMB-JWZBEHFJSA-N 1 1 320.389 1.998 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001173222734 777056027 /nfs/dbraw/zinc/05/60/27/777056027.db2.gz UZRGCJRGYOHNDL-WQVCFCJDSA-N 1 1 308.378 1.591 20 5 DDBDMO COC(=O)[C@H]1C[N@H+](C)CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230950 777063885 /nfs/dbraw/zinc/06/38/85/777063885.db2.gz GYMSYWLIQDHJTM-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230950 777063890 /nfs/dbraw/zinc/06/38/90/777063890.db2.gz GYMSYWLIQDHJTM-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO C[C@@](CO)([NH2+]Cc1ccnc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC001175322372 777751216 /nfs/dbraw/zinc/75/12/16/777751216.db2.gz CHLBPYAMKBIFBZ-HNNXBMFYSA-N 1 1 302.334 1.569 20 5 DDBDMO Cc1n[nH]c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1C ZINC001179353392 779341987 /nfs/dbraw/zinc/34/19/87/779341987.db2.gz QPLQMPALFVGWAC-HNNXBMFYSA-N 1 1 304.350 1.932 20 5 DDBDMO C[C@]1(CO)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001116361045 780500389 /nfs/dbraw/zinc/50/03/89/780500389.db2.gz FCCJVVVFSCJCGP-ZBFHGGJFSA-N 1 1 324.377 1.429 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001116442119 780509866 /nfs/dbraw/zinc/50/98/66/780509866.db2.gz IHJOAANFQBJTMH-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001116442119 780509873 /nfs/dbraw/zinc/50/98/73/780509873.db2.gz IHJOAANFQBJTMH-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC001150120258 862099733 /nfs/dbraw/zinc/09/97/33/862099733.db2.gz UWVZJAYITBMNDV-LKFCYVNXSA-N 1 1 304.350 1.511 20 5 DDBDMO Cc1noc([C@]23COC[C@H]2C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169019997 850518190 /nfs/dbraw/zinc/51/81/90/850518190.db2.gz HMMQDZCPHPEFHA-RGCMKSIDSA-N 1 1 322.365 1.023 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1NCCn1cc[nH+]c1C ZINC001156002043 862624832 /nfs/dbraw/zinc/62/48/32/862624832.db2.gz NNSBSLPSIBWTKV-UHFFFAOYSA-N 1 1 305.294 1.393 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001072725852 857642252 /nfs/dbraw/zinc/64/22/52/857642252.db2.gz TULKUKUKOWKVSE-HUUCEWRRSA-N 1 1 319.405 1.686 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001072725852 857642257 /nfs/dbraw/zinc/64/22/57/857642257.db2.gz TULKUKUKOWKVSE-HUUCEWRRSA-N 1 1 319.405 1.686 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001072725852 857642261 /nfs/dbraw/zinc/64/22/61/857642261.db2.gz TULKUKUKOWKVSE-HUUCEWRRSA-N 1 1 319.405 1.686 20 5 DDBDMO CN1CC[C@@H](Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1=O ZINC001156508078 863111033 /nfs/dbraw/zinc/11/10/33/863111033.db2.gz JUZJFUACAVSJOB-DUMNWFOQSA-N 1 1 305.338 1.165 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001157266667 863696017 /nfs/dbraw/zinc/69/60/17/863696017.db2.gz VXJIZHOIWLFAHZ-CABZTGNLSA-N 1 1 307.310 1.428 20 5 DDBDMO COCCC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001329819170 863875529 /nfs/dbraw/zinc/87/55/29/863875529.db2.gz QKFHIKWXFMPEFT-CHWSQXEVSA-N 1 1 313.398 1.097 20 5 DDBDMO Cc1ccc(-c2ccc(N[C@@H](N)CCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC001159786527 865523501 /nfs/dbraw/zinc/52/35/01/865523501.db2.gz CSSREUWVKOXHJO-CQSZACIVSA-N 1 1 316.365 1.796 20 5 DDBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001161177633 866427986 /nfs/dbraw/zinc/42/79/86/866427986.db2.gz QUWCJVKBAYGVRW-VIFPVBQESA-N 1 1 312.757 1.920 20 5 DDBDMO CNc1c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320379468 866691552 /nfs/dbraw/zinc/69/15/52/866691552.db2.gz UXLPKYCCRPIZKE-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO C[NH+]1CCN(CCCNc2cc([N+](=O)[O-])c3nccn3c2)CC1 ZINC001161708605 866920865 /nfs/dbraw/zinc/92/08/65/866920865.db2.gz OISCZVIEAKPBRM-UHFFFAOYSA-N 1 1 318.381 1.292 20 5 DDBDMO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320786413 867025673 /nfs/dbraw/zinc/02/56/73/867025673.db2.gz ONEBDZLCOODHQS-KBPBESRZSA-N 1 1 307.350 1.903 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC2C[NH+](C(C)(C)C)C2)n1 ZINC001162225107 867358285 /nfs/dbraw/zinc/35/82/85/867358285.db2.gz FVRHKJJZLYPVMS-UHFFFAOYSA-N 1 1 308.338 1.671 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001324580462 867372638 /nfs/dbraw/zinc/37/26/38/867372638.db2.gz MLGVWEUIYPRSNJ-QMTHXVAHSA-N 1 1 304.350 1.413 20 5 DDBDMO CC[NH+](CC)CCNC(=N)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001163123094 868125937 /nfs/dbraw/zinc/12/59/37/868125937.db2.gz YHZBTJOBQAQETF-UHFFFAOYSA-N 1 1 314.777 1.921 20 5 DDBDMO [NH3+][C@H]1CN(c2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CCC1(F)F ZINC001164322504 869124987 /nfs/dbraw/zinc/12/49/87/869124987.db2.gz BNLDUSDHLBAJOO-ZETCQYMHSA-N 1 1 308.672 1.054 20 5 DDBDMO COCCC[NH+]1CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165093823 869369816 /nfs/dbraw/zinc/36/98/16/869369816.db2.gz HQHVJKKYCNGQAG-UHFFFAOYSA-N 1 1 315.761 1.197 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001317076035 870206809 /nfs/dbraw/zinc/20/68/09/870206809.db2.gz LIMVVEIMNPSBKN-ORAZFKFHSA-N 1 1 315.373 1.602 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226362591 882388529 /nfs/dbraw/zinc/38/85/29/882388529.db2.gz XEMWQGCIJCGKMU-SNVBAGLBSA-N 1 1 310.306 1.473 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001339316049 870442050 /nfs/dbraw/zinc/44/20/50/870442050.db2.gz GECHUHDHBHXLHO-DDTOSNHZSA-N 1 1 319.361 1.673 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001340011947 870837301 /nfs/dbraw/zinc/83/73/01/870837301.db2.gz MQNPHMVJOQLWAR-GFCCVEGCSA-N 1 1 310.402 1.038 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNc2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001306922208 871381963 /nfs/dbraw/zinc/38/19/63/871381963.db2.gz IJQSSDRFHYEKGK-QWRGUYRKSA-N 1 1 311.386 1.628 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001318598011 872161725 /nfs/dbraw/zinc/16/17/25/872161725.db2.gz AUEOLIXDWKGMKM-NSHDSACASA-N 1 1 322.365 1.087 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001318620817 872172448 /nfs/dbraw/zinc/17/24/48/872172448.db2.gz ONLWQHOXZZFHQX-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001342848864 872412252 /nfs/dbraw/zinc/41/22/52/872412252.db2.gz ZAXKVEQDPTVJQU-OAHLLOKOSA-N 1 1 310.350 1.903 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC001342848864 872412260 /nfs/dbraw/zinc/41/22/60/872412260.db2.gz ZAXKVEQDPTVJQU-OAHLLOKOSA-N 1 1 310.350 1.903 20 5 DDBDMO Cc1ccc(CNC(=O)[C@H]2[NH2+]CCc3occc32)cc1[N+](=O)[O-] ZINC001354523371 878036617 /nfs/dbraw/zinc/03/66/17/878036617.db2.gz KIKQJTWIMPFLQF-HNNXBMFYSA-N 1 1 315.329 1.999 20 5 DDBDMO CN(C)Cc1cc(F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229854015 884196330 /nfs/dbraw/zinc/19/63/30/884196330.db2.gz KCCDVLYQXOZVPQ-CQSZACIVSA-N 1 1 313.393 1.250 20 5 DDBDMO O[C@@H]1COCC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218731 886165416 /nfs/dbraw/zinc/16/54/16/886165416.db2.gz LCVIJHJRZGHYCO-INIZCTEOSA-N 1 1 309.369 1.976 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)n1 ZINC001234879539 888235959 /nfs/dbraw/zinc/23/59/59/888235959.db2.gz QHOJMNAAGIZIAZ-XXILOJSOSA-N 1 1 307.306 1.181 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)n1 ZINC001234879539 888235973 /nfs/dbraw/zinc/23/59/73/888235973.db2.gz QHOJMNAAGIZIAZ-XXILOJSOSA-N 1 1 307.306 1.181 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554968 892693892 /nfs/dbraw/zinc/69/38/92/892693892.db2.gz AFPPLSKFIXMXIR-XJKSGUPXSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554968 892693894 /nfs/dbraw/zinc/69/38/94/892693894.db2.gz AFPPLSKFIXMXIR-XJKSGUPXSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246554968 892693898 /nfs/dbraw/zinc/69/38/98/892693898.db2.gz AFPPLSKFIXMXIR-XJKSGUPXSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001254555437 896498892 /nfs/dbraw/zinc/49/88/92/896498892.db2.gz GMBJSQBYJSLDDZ-YUTCNCBUSA-N 1 1 303.362 1.546 20 5 DDBDMO CN1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1=O ZINC001254595039 896521231 /nfs/dbraw/zinc/52/12/31/896521231.db2.gz HZXQIRKJVXYYCC-SNPRPXQTSA-N 1 1 301.346 1.082 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001262826140 900387389 /nfs/dbraw/zinc/38/73/89/900387389.db2.gz CTNNKWSMTICKHI-FPMFFAJLSA-N 1 1 303.362 1.973 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000278364817 214119715 /nfs/dbraw/zinc/11/97/15/214119715.db2.gz HUTNRHDWPRLVOG-JTQLQIEISA-N 1 1 323.397 1.683 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000295600024 529382040 /nfs/dbraw/zinc/38/20/40/529382040.db2.gz CFWJYJJAUYDOOA-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO CC[C@H](CO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000295788906 529382412 /nfs/dbraw/zinc/38/24/12/529382412.db2.gz UWXUDCADGGURHZ-LLVKDONJSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000295788906 529382414 /nfs/dbraw/zinc/38/24/14/529382414.db2.gz UWXUDCADGGURHZ-LLVKDONJSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543174 231122011 /nfs/dbraw/zinc/12/20/11/231122011.db2.gz BDKDARNXQCSYSH-ZYHUDNBSSA-N 1 1 320.349 1.358 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000444257504 529464959 /nfs/dbraw/zinc/46/49/59/529464959.db2.gz DKKHMQNZYACXJE-NSHDSACASA-N 1 1 307.354 1.047 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccn1 ZINC000090552230 185302684 /nfs/dbraw/zinc/30/26/84/185302684.db2.gz CAFBBDYGDQQAGF-UHFFFAOYSA-N 1 1 302.334 1.674 20 5 DDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000305755593 529926365 /nfs/dbraw/zinc/92/63/65/529926365.db2.gz AOEXCNYHHUIRHZ-LLVKDONJSA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000305755593 529926366 /nfs/dbraw/zinc/92/63/66/529926366.db2.gz AOEXCNYHHUIRHZ-LLVKDONJSA-N 1 1 308.256 1.829 20 5 DDBDMO CC(C)NC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000615494248 362306551 /nfs/dbraw/zinc/30/65/51/362306551.db2.gz IOYGRPGQPQFJOC-GFCCVEGCSA-N 1 1 320.393 1.873 20 5 DDBDMO CC(C)NC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000615494248 362306557 /nfs/dbraw/zinc/30/65/57/362306557.db2.gz IOYGRPGQPQFJOC-GFCCVEGCSA-N 1 1 320.393 1.873 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000412411333 530054877 /nfs/dbraw/zinc/05/48/77/530054877.db2.gz AVJCAKDQBNOHEC-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000302241835 530072010 /nfs/dbraw/zinc/07/20/10/530072010.db2.gz ITALNBXVHNZBDK-UHFFFAOYSA-N 1 1 307.398 1.818 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330909830 232155081 /nfs/dbraw/zinc/15/50/81/232155081.db2.gz PCAOEXHMXVKKFG-CMPLNLGQSA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1c(CNC(=O)N2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000616314203 362631170 /nfs/dbraw/zinc/63/11/70/362631170.db2.gz BNLQKGXAYSYWJG-UHFFFAOYSA-N 1 1 318.377 1.893 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000181862106 199364615 /nfs/dbraw/zinc/36/46/15/199364615.db2.gz PTSJNEOHNTWFTD-KGLIPLIRSA-N 1 1 324.377 1.693 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000119414166 185741035 /nfs/dbraw/zinc/74/10/35/185741035.db2.gz NZJZCCLVOOQJKR-LBPRGKRZSA-N 1 1 320.393 1.885 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748437 215111963 /nfs/dbraw/zinc/11/19/63/215111963.db2.gz LEEKUTLAUHXQLY-RISCZKNCSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748437 215111965 /nfs/dbraw/zinc/11/19/65/215111965.db2.gz LEEKUTLAUHXQLY-RISCZKNCSA-N 1 1 321.377 1.933 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279910130 215229436 /nfs/dbraw/zinc/22/94/36/215229436.db2.gz VQQBOZAYCXDVCC-AWEZNQCLSA-N 1 1 310.350 1.685 20 5 DDBDMO CC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000181868106 186212954 /nfs/dbraw/zinc/21/29/54/186212954.db2.gz NAHURKVYNLBLOG-IHRRRGAJSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000181868106 186212955 /nfs/dbraw/zinc/21/29/55/186212955.db2.gz NAHURKVYNLBLOG-IHRRRGAJSA-N 1 1 324.377 1.834 20 5 DDBDMO CCOc1ccc([C@H](C)[NH2+]Cc2cnnn2C)cc1[N+](=O)[O-] ZINC000287188748 219369630 /nfs/dbraw/zinc/36/96/30/219369630.db2.gz CZVLZKKVHPLZTE-JTQLQIEISA-N 1 1 305.338 1.973 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000052502283 352613286 /nfs/dbraw/zinc/61/32/86/352613286.db2.gz HOTCTJGMJXNREZ-LBPRGKRZSA-N 1 1 321.381 1.400 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057004625 352794758 /nfs/dbraw/zinc/79/47/58/352794758.db2.gz MYLCXFKOHRAFTH-UHFFFAOYSA-N 1 1 317.349 1.989 20 5 DDBDMO C[N@@H+](CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000058858850 352855160 /nfs/dbraw/zinc/85/51/60/352855160.db2.gz XVLHTLVXVZNNQQ-XVNBXDOJSA-N 1 1 307.325 1.958 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000064904662 352945707 /nfs/dbraw/zinc/94/57/07/352945707.db2.gz CIIUEEGVYWLMNF-LBPRGKRZSA-N 1 1 306.366 1.851 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000067837655 353070098 /nfs/dbraw/zinc/07/00/98/353070098.db2.gz SONSJJQFVUKQLN-CVEARBPZSA-N 1 1 317.389 1.680 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068520254 353116567 /nfs/dbraw/zinc/11/65/67/353116567.db2.gz BYDSONUEWRBGFN-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000174313578 198318220 /nfs/dbraw/zinc/31/82/20/198318220.db2.gz WJDZJRWWWCUWAE-VXGBXAGGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000174313578 198318221 /nfs/dbraw/zinc/31/82/21/198318221.db2.gz WJDZJRWWWCUWAE-VXGBXAGGSA-N 1 1 321.377 1.430 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000174473533 198338192 /nfs/dbraw/zinc/33/81/92/198338192.db2.gz NLJIGWMMUFJNPY-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3sccc3C2)c1 ZINC000174702852 198372394 /nfs/dbraw/zinc/37/23/94/198372394.db2.gz YROZFZDNIGTNTC-GFCCVEGCSA-N 1 1 308.363 1.272 20 5 DDBDMO Cc1cnc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000078657974 353526920 /nfs/dbraw/zinc/52/69/20/353526920.db2.gz USRGDATWKUFQML-GFCCVEGCSA-N 1 1 321.381 1.298 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000085825089 353736730 /nfs/dbraw/zinc/73/67/30/353736730.db2.gz KRAZGOYNMCAURI-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617897648 363361150 /nfs/dbraw/zinc/36/11/50/363361150.db2.gz CHZPGMGJJKHNIH-LBPRGKRZSA-N 1 1 323.349 1.954 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617897648 363361156 /nfs/dbraw/zinc/36/11/56/363361156.db2.gz CHZPGMGJJKHNIH-LBPRGKRZSA-N 1 1 323.349 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2ncccc12 ZINC000405237176 354678038 /nfs/dbraw/zinc/67/80/38/354678038.db2.gz UDFMHBYJNXBSHI-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO CCOc1cccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405639076 354679507 /nfs/dbraw/zinc/67/95/07/354679507.db2.gz CDKWEEBJXMSMRV-NWDGAFQWSA-N 1 1 307.350 1.249 20 5 DDBDMO COc1cccc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000585781964 354841280 /nfs/dbraw/zinc/84/12/80/354841280.db2.gz GTKLYKWYLNOSMY-STQMWFEESA-N 1 1 307.350 1.513 20 5 DDBDMO Cc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864062 354944575 /nfs/dbraw/zinc/94/45/75/354944575.db2.gz ZWTFBWLLUHNZFK-KBPBESRZSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000589687894 355012286 /nfs/dbraw/zinc/01/22/86/355012286.db2.gz BOQPMORYCIVZNM-UHFFFAOYSA-N 1 1 311.357 1.935 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000590335538 355073485 /nfs/dbraw/zinc/07/34/85/355073485.db2.gz LYXASCOTJWMZKS-UHFFFAOYSA-N 1 1 307.354 1.219 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590522995 355107894 /nfs/dbraw/zinc/10/78/94/355107894.db2.gz RYFQDHRKVXSRIC-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590522995 355107896 /nfs/dbraw/zinc/10/78/96/355107896.db2.gz RYFQDHRKVXSRIC-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442878 355096457 /nfs/dbraw/zinc/09/64/57/355096457.db2.gz HRYNJIYFQBPIJK-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442878 355096459 /nfs/dbraw/zinc/09/64/59/355096459.db2.gz HRYNJIYFQBPIJK-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442878 355096460 /nfs/dbraw/zinc/09/64/60/355096460.db2.gz HRYNJIYFQBPIJK-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530720 355616292 /nfs/dbraw/zinc/61/62/92/355616292.db2.gz GILQIQUMOGUKBD-OCCSQVGLSA-N 1 1 308.334 1.259 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)CCO ZINC000593107071 355800071 /nfs/dbraw/zinc/80/00/71/355800071.db2.gz GILDHKCGXAPKOF-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@H](CCO)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593109968 355802204 /nfs/dbraw/zinc/80/22/04/355802204.db2.gz PIXIVZSIDJVRIG-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593109968 355802206 /nfs/dbraw/zinc/80/22/06/355802206.db2.gz PIXIVZSIDJVRIG-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO Cc1ccc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593131446 355808717 /nfs/dbraw/zinc/80/87/17/355808717.db2.gz JKHHBHZMRMVCAW-CYBMUJFWSA-N 1 1 320.349 1.186 20 5 DDBDMO Cc1ccc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593131446 355808720 /nfs/dbraw/zinc/80/87/20/355808720.db2.gz JKHHBHZMRMVCAW-CYBMUJFWSA-N 1 1 320.349 1.186 20 5 DDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727777 355977209 /nfs/dbraw/zinc/97/72/09/355977209.db2.gz RVALRBHSRMWEPF-AWEZNQCLSA-N 1 1 317.349 1.180 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593884102 356041070 /nfs/dbraw/zinc/04/10/70/356041070.db2.gz QWVRRUINUNQXOK-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000594356835 356180989 /nfs/dbraw/zinc/18/09/89/356180989.db2.gz SGPNQSLHTDIEOB-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000594356835 356180991 /nfs/dbraw/zinc/18/09/91/356180991.db2.gz SGPNQSLHTDIEOB-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(=O)NCCF ZINC000595040803 356376199 /nfs/dbraw/zinc/37/61/99/356376199.db2.gz XWBNLDADXVHTAV-VHSXEESVSA-N 1 1 313.329 1.728 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000595328537 356450796 /nfs/dbraw/zinc/45/07/96/356450796.db2.gz WMNDGZHOEHCGJF-ZDUSSCGKSA-N 1 1 323.368 1.888 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000595328537 356450798 /nfs/dbraw/zinc/45/07/98/356450798.db2.gz WMNDGZHOEHCGJF-ZDUSSCGKSA-N 1 1 323.368 1.888 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595470278 356506097 /nfs/dbraw/zinc/50/60/97/356506097.db2.gz SWJNAMGGXBDCDT-CQSZACIVSA-N 1 1 320.393 1.921 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595473748 356507348 /nfs/dbraw/zinc/50/73/48/356507348.db2.gz BKVZWSLTKUAJPK-NSHDSACASA-N 1 1 310.354 1.772 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595473748 356507353 /nfs/dbraw/zinc/50/73/53/356507353.db2.gz BKVZWSLTKUAJPK-NSHDSACASA-N 1 1 310.354 1.772 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595687526 356610602 /nfs/dbraw/zinc/61/06/02/356610602.db2.gz BRYMRECMQFUFOQ-IYBDPMFKSA-N 1 1 319.361 1.892 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595687526 356610605 /nfs/dbraw/zinc/61/06/05/356610605.db2.gz BRYMRECMQFUFOQ-IYBDPMFKSA-N 1 1 319.361 1.892 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595744272 356632553 /nfs/dbraw/zinc/63/25/53/356632553.db2.gz VHQBGQPZIFARMN-OLZOCXBDSA-N 1 1 319.361 1.704 20 5 DDBDMO C[N@H+](CC1=CCCOC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595753718 356637320 /nfs/dbraw/zinc/63/73/20/356637320.db2.gz SSAOVNHCALRLBL-OAHLLOKOSA-N 1 1 322.361 1.613 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760046 356641206 /nfs/dbraw/zinc/64/12/06/356641206.db2.gz RWXVRWRSACDOHN-LRDDRELGSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760046 356641208 /nfs/dbraw/zinc/64/12/08/356641208.db2.gz RWXVRWRSACDOHN-LRDDRELGSA-N 1 1 319.361 1.810 20 5 DDBDMO COCC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596117156 356779417 /nfs/dbraw/zinc/77/94/17/356779417.db2.gz XDESJUKSJYHIHW-LBPRGKRZSA-N 1 1 322.365 1.216 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076200 356763490 /nfs/dbraw/zinc/76/34/90/356763490.db2.gz MVNMVAAVWOYGEN-LLVKDONJSA-N 1 1 306.366 1.980 20 5 DDBDMO O=c1[nH]ccc(N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596268966 356838643 /nfs/dbraw/zinc/83/86/43/356838643.db2.gz OQCJTGVYSBKKKL-UHFFFAOYSA-N 1 1 322.365 1.387 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596309344 356853337 /nfs/dbraw/zinc/85/33/37/356853337.db2.gz ZEVKPZNTHLNVTE-LLVKDONJSA-N 1 1 306.366 1.978 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000597202565 357091231 /nfs/dbraw/zinc/09/12/31/357091231.db2.gz FIMXWALZITXXGG-INIZCTEOSA-N 1 1 305.378 1.810 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597574710 357233856 /nfs/dbraw/zinc/23/38/56/357233856.db2.gz GYMOQASUKBQMRM-NWDGAFQWSA-N 1 1 310.329 1.192 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000597604468 357250415 /nfs/dbraw/zinc/25/04/15/357250415.db2.gz IMSIQHUDIYFBQC-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597924424 357384028 /nfs/dbraw/zinc/38/40/28/357384028.db2.gz REYRUZZVKXTJLI-SNVBAGLBSA-N 1 1 306.366 1.780 20 5 DDBDMO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598041822 357439801 /nfs/dbraw/zinc/43/98/01/357439801.db2.gz NKCTVYMJVXRVRV-NSHDSACASA-N 1 1 309.370 1.193 20 5 DDBDMO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000598668052 357678257 /nfs/dbraw/zinc/67/82/57/357678257.db2.gz OOELQRKTFWLWFA-BJOHPYRUSA-N 1 1 315.333 1.425 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000598627426 357660771 /nfs/dbraw/zinc/66/07/71/357660771.db2.gz PYRKGRUNHCLYLY-OAHLLOKOSA-N 1 1 320.349 1.308 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000598645103 357667925 /nfs/dbraw/zinc/66/79/25/357667925.db2.gz DOKXKCKRNLTKSL-FZMZJTMJSA-N 1 1 322.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000599509664 357960227 /nfs/dbraw/zinc/96/02/27/357960227.db2.gz NCJUMMKSRBMRLS-UHFFFAOYSA-N 1 1 314.349 1.145 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531090 357965061 /nfs/dbraw/zinc/96/50/61/357965061.db2.gz HSJZUYMHOXTWRB-QWRGUYRKSA-N 1 1 300.742 1.281 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000600105275 358123523 /nfs/dbraw/zinc/12/35/23/358123523.db2.gz JHPGWHZBTKOTMK-UHFFFAOYSA-N 1 1 319.361 1.532 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000600190539 358150680 /nfs/dbraw/zinc/15/06/80/358150680.db2.gz GWZFWJLAYGPXME-WRLNGNIRSA-N 1 1 320.345 1.872 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000600190539 358150684 /nfs/dbraw/zinc/15/06/84/358150684.db2.gz GWZFWJLAYGPXME-WRLNGNIRSA-N 1 1 320.345 1.872 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000600313122 358192907 /nfs/dbraw/zinc/19/29/07/358192907.db2.gz HXEYEHYAIFVWLX-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccco1 ZINC000180595137 199181498 /nfs/dbraw/zinc/18/14/98/199181498.db2.gz WWEWMOSPLFJYQE-GFCCVEGCSA-N 1 1 318.333 1.803 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000348084238 283360157 /nfs/dbraw/zinc/36/01/57/283360157.db2.gz ZUZCTNBPUPFDRQ-UHFFFAOYSA-N 1 1 311.386 1.359 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000600959675 358357324 /nfs/dbraw/zinc/35/73/24/358357324.db2.gz ZCOUENRHWQPYKH-LSDHHAIUSA-N 1 1 320.393 1.853 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000601151176 358423376 /nfs/dbraw/zinc/42/33/76/358423376.db2.gz QSYMSBGJYKQUCB-UHFFFAOYSA-N 1 1 316.361 1.699 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978661 358763566 /nfs/dbraw/zinc/76/35/66/358763566.db2.gz ZPMJTWCVOOXDPB-NSHDSACASA-N 1 1 317.292 1.113 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978661 358763567 /nfs/dbraw/zinc/76/35/67/358763567.db2.gz ZPMJTWCVOOXDPB-NSHDSACASA-N 1 1 317.292 1.113 20 5 DDBDMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602195915 358876734 /nfs/dbraw/zinc/87/67/34/358876734.db2.gz MSYJFYDMDLIOSR-GOEBONIOSA-N 1 1 321.377 1.403 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602195915 358876735 /nfs/dbraw/zinc/87/67/35/358876735.db2.gz MSYJFYDMDLIOSR-GOEBONIOSA-N 1 1 321.377 1.403 20 5 DDBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602472773 359001614 /nfs/dbraw/zinc/00/16/14/359001614.db2.gz PNTHPHGWRCUCJU-QWHCGFSZSA-N 1 1 324.381 1.080 20 5 DDBDMO CO[C@]1(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602689583 359126835 /nfs/dbraw/zinc/12/68/35/359126835.db2.gz XXRSPIKHGQWYBM-HNNXBMFYSA-N 1 1 308.334 1.463 20 5 DDBDMO CC(=O)N1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC000602804064 359202632 /nfs/dbraw/zinc/20/26/32/359202632.db2.gz HSHWBXGWURTLKO-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO CC(=O)N1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC000602804064 359202634 /nfs/dbraw/zinc/20/26/34/359202634.db2.gz HSHWBXGWURTLKO-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000602807999 359205548 /nfs/dbraw/zinc/20/55/48/359205548.db2.gz XTKYPGAHAJOZIT-UHFFFAOYSA-N 1 1 318.377 1.903 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937109 359306472 /nfs/dbraw/zinc/30/64/72/359306472.db2.gz QIGDTKNJHJIJRX-CIISACIHSA-N 1 1 317.345 1.640 20 5 DDBDMO COc1ccc(OCCN[C@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430957 359634933 /nfs/dbraw/zinc/63/49/33/359634933.db2.gz DDEHABNBOZKNCT-KBPBESRZSA-N 1 1 309.366 1.698 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000186954900 200037270 /nfs/dbraw/zinc/03/72/70/200037270.db2.gz QPAILHDQOPQQMG-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000186954900 200037271 /nfs/dbraw/zinc/03/72/71/200037271.db2.gz QPAILHDQOPQQMG-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188724490 200294826 /nfs/dbraw/zinc/29/48/26/200294826.db2.gz NHORKUKLNIPIQQ-LBPRGKRZSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188724490 200294828 /nfs/dbraw/zinc/29/48/28/200294828.db2.gz NHORKUKLNIPIQQ-LBPRGKRZSA-N 1 1 321.377 1.512 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257575 360276895 /nfs/dbraw/zinc/27/68/95/360276895.db2.gz BRNUSBPNJJNBCF-AWEZNQCLSA-N 1 1 320.393 1.997 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000611165978 360643348 /nfs/dbraw/zinc/64/33/48/360643348.db2.gz RNBLRTDBZXVZHP-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611223064 360666871 /nfs/dbraw/zinc/66/68/71/360666871.db2.gz QFCAMVJYTOTHEO-LLVKDONJSA-N 1 1 314.345 1.967 20 5 DDBDMO C[N@H+]1CC=C(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611443365 360721521 /nfs/dbraw/zinc/72/15/21/360721521.db2.gz HIRNBBMHCYGGIH-UHFFFAOYSA-N 1 1 319.361 1.718 20 5 DDBDMO C[N@@H+]1CC=C(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611443365 360721525 /nfs/dbraw/zinc/72/15/25/360721525.db2.gz HIRNBBMHCYGGIH-UHFFFAOYSA-N 1 1 319.361 1.718 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611680914 360790661 /nfs/dbraw/zinc/79/06/61/360790661.db2.gz JKNLWEVGYNAYQO-CYBMUJFWSA-N 1 1 320.393 1.362 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271922730 209326106 /nfs/dbraw/zinc/32/61/06/209326106.db2.gz KOAPBCHOSPQAFV-UHFFFAOYSA-N 1 1 318.377 1.653 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000613130199 361282565 /nfs/dbraw/zinc/28/25/65/361282565.db2.gz ABAPDAZDUQURPR-HNNXBMFYSA-N 1 1 310.350 1.447 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252432 363945430 /nfs/dbraw/zinc/94/54/30/363945430.db2.gz LKXFTCIZXGATTF-JQWIXIFHSA-N 1 1 322.340 1.435 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253548 363946691 /nfs/dbraw/zinc/94/66/91/363946691.db2.gz YTAIDAHXHDPLKB-HUUCEWRRSA-N 1 1 321.352 1.782 20 5 DDBDMO Cn1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1=O ZINC000619785214 364149454 /nfs/dbraw/zinc/14/94/54/364149454.db2.gz LCFRCBATPYLGPG-UHFFFAOYSA-N 1 1 301.346 1.968 20 5 DDBDMO CNC(=O)c1ccc(NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271823367 209246320 /nfs/dbraw/zinc/24/63/20/209246320.db2.gz NQUCBOBMUHDPIB-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO C[NH+](C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187998 220006209 /nfs/dbraw/zinc/00/62/09/220006209.db2.gz NIDYBWUPSAVZGM-NSHDSACASA-N 1 1 321.312 1.490 20 5 DDBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000350057802 284140075 /nfs/dbraw/zinc/14/00/75/284140075.db2.gz BETFKLVXGIMLHR-UHFFFAOYSA-N 1 1 312.370 1.845 20 5 DDBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)NCc1ccco1 ZINC000350620306 284222267 /nfs/dbraw/zinc/22/22/67/284222267.db2.gz VILJMSNAQUTQSY-UHFFFAOYSA-N 1 1 307.281 1.733 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264423232 203914543 /nfs/dbraw/zinc/91/45/43/203914543.db2.gz OKYIYRKALQQFDT-UHFFFAOYSA-N 1 1 323.397 1.825 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000288346445 220098871 /nfs/dbraw/zinc/09/88/71/220098871.db2.gz KBFGBQNTLRCIKJ-UHFFFAOYSA-N 1 1 314.345 1.879 20 5 DDBDMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382014 205305207 /nfs/dbraw/zinc/30/52/07/205305207.db2.gz AYSUYPNZTOOVQW-PWSUYJOCSA-N 1 1 322.390 1.833 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1C[C@@H](C)O ZINC000266392087 205313988 /nfs/dbraw/zinc/31/39/88/205313988.db2.gz OEAXAAZFFRTDEK-OLZOCXBDSA-N 1 1 323.393 1.885 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000284465712 218038861 /nfs/dbraw/zinc/03/88/61/218038861.db2.gz FIXVWZPIMXMRRV-AAEUAGOBSA-N 1 1 309.366 1.759 20 5 DDBDMO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000105827361 194138544 /nfs/dbraw/zinc/13/85/44/194138544.db2.gz XGBSDKIGFSONRA-DGCLKSJQSA-N 1 1 313.423 1.933 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000054132596 183925575 /nfs/dbraw/zinc/92/55/75/183925575.db2.gz UEMZALVBPHHKHO-UHFFFAOYSA-N 1 1 314.773 1.900 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000110991880 194378888 /nfs/dbraw/zinc/37/88/88/194378888.db2.gz MFJGGWJKWKODBV-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340925920 251281124 /nfs/dbraw/zinc/28/11/24/251281124.db2.gz IVVXCMIYBPCONN-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272951041 210338251 /nfs/dbraw/zinc/33/82/51/210338251.db2.gz MRXDCBVLZAMSQC-JTQLQIEISA-N 1 1 304.350 1.557 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000298070856 285165918 /nfs/dbraw/zinc/16/59/18/285165918.db2.gz KZUBHBAHPBBLIP-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCOCC1)CCO2 ZINC000352706381 285242695 /nfs/dbraw/zinc/24/26/95/285242695.db2.gz NGJVVRSLUUBVDD-UHFFFAOYSA-N 1 1 308.334 1.331 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCOCC1)CCO2 ZINC000352706381 285242699 /nfs/dbraw/zinc/24/26/99/285242699.db2.gz NGJVVRSLUUBVDD-UHFFFAOYSA-N 1 1 308.334 1.331 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1[C@@H]1CCCO1 ZINC000289683206 221150786 /nfs/dbraw/zinc/15/07/86/221150786.db2.gz HUCLQSZCLQRODY-DZGCQCFKSA-N 1 1 321.377 1.646 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424043578 533661462 /nfs/dbraw/zinc/66/14/62/533661462.db2.gz QYWCXPAUWFOBMK-ZDUSSCGKSA-N 1 1 321.381 1.477 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000008201126 406780495 /nfs/dbraw/zinc/78/04/95/406780495.db2.gz DZFBYMUHDJAUBF-UHFFFAOYSA-N 1 1 318.377 1.947 20 5 DDBDMO CN(C)c1cccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000089922865 407159024 /nfs/dbraw/zinc/15/90/24/407159024.db2.gz ZEOSJVIHJYDDMJ-UHFFFAOYSA-N 1 1 303.366 1.989 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000108783533 407390260 /nfs/dbraw/zinc/39/02/60/407390260.db2.gz YJLFDOAIYHQATA-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000270983031 407450558 /nfs/dbraw/zinc/45/05/58/407450558.db2.gz ADWGACYCJSBJLQ-CYBMUJFWSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000270983031 407450566 /nfs/dbraw/zinc/45/05/66/407450566.db2.gz ADWGACYCJSBJLQ-CYBMUJFWSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnc(NCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000227647607 407636298 /nfs/dbraw/zinc/63/62/98/407636298.db2.gz BSTMMADMHDFJQT-UHFFFAOYSA-N 1 1 300.746 1.777 20 5 DDBDMO CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000178891392 407644470 /nfs/dbraw/zinc/64/44/70/407644470.db2.gz NTLIJMQGVCYXMO-NSHDSACASA-N 1 1 317.349 1.685 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000271375869 407659115 /nfs/dbraw/zinc/65/91/15/407659115.db2.gz WPFUZZUGILPNHX-CQSZACIVSA-N 1 1 306.366 1.655 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)C1 ZINC000266944688 407687365 /nfs/dbraw/zinc/68/73/65/407687365.db2.gz SDJASJLSMKFQBQ-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000115517065 407690496 /nfs/dbraw/zinc/69/04/96/407690496.db2.gz LHWXDKDBNPZDAD-OLZOCXBDSA-N 1 1 308.382 1.580 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730929 407750431 /nfs/dbraw/zinc/75/04/31/407750431.db2.gz WAWRXJKWWOFGMD-QWRGUYRKSA-N 1 1 323.397 1.731 20 5 DDBDMO COc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1F ZINC000268223921 407955870 /nfs/dbraw/zinc/95/58/70/407955870.db2.gz SZLCFEGQVFGEOX-JTQLQIEISA-N 1 1 312.345 1.400 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154073202 407964147 /nfs/dbraw/zinc/96/41/47/407964147.db2.gz ZPEPUSSEUVKUTB-GUTXKFCHSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154073202 407964151 /nfs/dbraw/zinc/96/41/51/407964151.db2.gz ZPEPUSSEUVKUTB-GUTXKFCHSA-N 1 1 324.377 1.752 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000272463667 407935345 /nfs/dbraw/zinc/93/53/45/407935345.db2.gz OUJJYRCAUYOZJU-SNVBAGLBSA-N 1 1 304.350 1.391 20 5 DDBDMO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189465474 408026078 /nfs/dbraw/zinc/02/60/78/408026078.db2.gz ZQRISUIKUDBWHW-NEPJUHHUSA-N 1 1 322.283 1.873 20 5 DDBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189465474 408026083 /nfs/dbraw/zinc/02/60/83/408026083.db2.gz ZQRISUIKUDBWHW-NEPJUHHUSA-N 1 1 322.283 1.873 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154157939 407985709 /nfs/dbraw/zinc/98/57/09/407985709.db2.gz HASUCRIQGLQWSF-CQSZACIVSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154157939 407985718 /nfs/dbraw/zinc/98/57/18/407985718.db2.gz HASUCRIQGLQWSF-CQSZACIVSA-N 1 1 322.361 1.589 20 5 DDBDMO COC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136808317 408125948 /nfs/dbraw/zinc/12/59/48/408125948.db2.gz NULWSPSWONPSNB-CQSZACIVSA-N 1 1 308.334 1.513 20 5 DDBDMO CC(C)(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000273244424 408123655 /nfs/dbraw/zinc/12/36/55/408123655.db2.gz GERNIQHYFXWIGT-KBPBESRZSA-N 1 1 323.393 1.485 20 5 DDBDMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137398937 408152109 /nfs/dbraw/zinc/15/21/09/408152109.db2.gz HSXOLVZQDWWPKX-GFCCVEGCSA-N 1 1 317.349 1.221 20 5 DDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273672018 408284758 /nfs/dbraw/zinc/28/47/58/408284758.db2.gz XTDAGKBEKNNNIU-UHFFFAOYSA-N 1 1 313.379 1.311 20 5 DDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273672018 408284762 /nfs/dbraw/zinc/28/47/62/408284762.db2.gz XTDAGKBEKNNNIU-UHFFFAOYSA-N 1 1 313.379 1.311 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209134 408354703 /nfs/dbraw/zinc/35/47/03/408354703.db2.gz IIRBZIFUPCGPBY-SRVKXCTJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209134 408354711 /nfs/dbraw/zinc/35/47/11/408354711.db2.gz IIRBZIFUPCGPBY-SRVKXCTJSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247021290 408389868 /nfs/dbraw/zinc/38/98/68/408389868.db2.gz CQQJVZJJQAKOOM-DZGCQCFKSA-N 1 1 307.394 1.872 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)n1 ZINC000191627793 408458948 /nfs/dbraw/zinc/45/89/48/408458948.db2.gz HQZPCCQHNFPMGY-NSHDSACASA-N 1 1 309.370 1.223 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)n1 ZINC000191627793 408458951 /nfs/dbraw/zinc/45/89/51/408458951.db2.gz HQZPCCQHNFPMGY-NSHDSACASA-N 1 1 309.370 1.223 20 5 DDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000269743850 408413092 /nfs/dbraw/zinc/41/30/92/408413092.db2.gz XXPVOWQDCPYLDH-CQSZACIVSA-N 1 1 321.381 1.315 20 5 DDBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000160989702 408547504 /nfs/dbraw/zinc/54/75/04/408547504.db2.gz PQUQDZHHJHGBRD-UHFFFAOYSA-N 1 1 323.397 1.902 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248620978 408601472 /nfs/dbraw/zinc/60/14/72/408601472.db2.gz MXOZXUWPJWJYAP-JOYOIKCWSA-N 1 1 307.354 1.031 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@H]2C1 ZINC000192471540 408592621 /nfs/dbraw/zinc/59/26/21/408592621.db2.gz YBQYASOGAZKSTO-PHIMTYICSA-N 1 1 314.345 1.710 20 5 DDBDMO C[C@H](c1ccccn1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680759 408634746 /nfs/dbraw/zinc/63/47/46/408634746.db2.gz URCSPOHINMCOLU-DGCLKSJQSA-N 1 1 305.338 1.240 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249545169 408739577 /nfs/dbraw/zinc/73/95/77/408739577.db2.gz GAVVBQOOGJOHDK-UONOGXRCSA-N 1 1 307.394 1.963 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000193144325 408700842 /nfs/dbraw/zinc/70/08/42/408700842.db2.gz LKADIABDQJIAOG-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(O)C1 ZINC000177973348 408747479 /nfs/dbraw/zinc/74/74/79/408747479.db2.gz PZHIEVNLIZETFC-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664772 408904036 /nfs/dbraw/zinc/90/40/36/408904036.db2.gz GAEIRKSWJPDVRS-ZDUSSCGKSA-N 1 1 315.333 1.337 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664772 408904038 /nfs/dbraw/zinc/90/40/38/408904038.db2.gz GAEIRKSWJPDVRS-ZDUSSCGKSA-N 1 1 315.333 1.337 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014901 408907824 /nfs/dbraw/zinc/90/78/24/408907824.db2.gz PPOATBOMPSLUMF-AAEUAGOBSA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014901 408907828 /nfs/dbraw/zinc/90/78/28/408907828.db2.gz PPOATBOMPSLUMF-AAEUAGOBSA-N 1 1 311.407 1.951 20 5 DDBDMO Cc1cccc2c1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000277371229 408928962 /nfs/dbraw/zinc/92/89/62/408928962.db2.gz XQOXCLZKSKOMCX-HNNXBMFYSA-N 1 1 316.361 1.519 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293348103 409095134 /nfs/dbraw/zinc/09/51/34/409095134.db2.gz JVKUNBLDPVIUAQ-BXKDBHETSA-N 1 1 315.333 1.295 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295281883 409412549 /nfs/dbraw/zinc/41/25/49/409412549.db2.gz DBVALEKCJDGWDI-CVEARBPZSA-N 1 1 321.377 1.379 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C2CC2)C2COC2)c1 ZINC000295325608 409435364 /nfs/dbraw/zinc/43/53/64/409435364.db2.gz GZHFOVMQDNIBHD-CQSZACIVSA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](C2CC2)C2COC2)c1 ZINC000295325608 409435368 /nfs/dbraw/zinc/43/53/68/409435368.db2.gz GZHFOVMQDNIBHD-CQSZACIVSA-N 1 1 308.334 1.198 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408113025 164231608 /nfs/dbraw/zinc/23/16/08/164231608.db2.gz PTELMGFNEXKVKT-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408113025 164231610 /nfs/dbraw/zinc/23/16/10/164231610.db2.gz PTELMGFNEXKVKT-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408111931 164231659 /nfs/dbraw/zinc/23/16/59/164231659.db2.gz GFZLVOBDUXKHMM-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408111931 164231661 /nfs/dbraw/zinc/23/16/61/164231661.db2.gz GFZLVOBDUXKHMM-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408128959 164236385 /nfs/dbraw/zinc/23/63/85/164236385.db2.gz MLEWTVLSYRLYIP-MWLCHTKSSA-N 1 1 309.370 1.049 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130126 164237400 /nfs/dbraw/zinc/23/74/00/164237400.db2.gz SVISMLNEOMLWSX-ONGXEEELSA-N 1 1 309.370 1.191 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000408464936 164340097 /nfs/dbraw/zinc/34/00/97/164340097.db2.gz GFKRESWQZPWBLU-NSHDSACASA-N 1 1 324.356 1.818 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)CN(C)C ZINC000344855576 409534294 /nfs/dbraw/zinc/53/42/94/409534294.db2.gz GJJFEKCRZUZRGL-RQPMMQJISA-N 1 1 307.394 1.900 20 5 DDBDMO CO[C@H](C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000354367297 409800433 /nfs/dbraw/zinc/80/04/33/409800433.db2.gz JSASUAXXZZLBSD-LLVKDONJSA-N 1 1 309.366 1.939 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1 ZINC000338373529 409947978 /nfs/dbraw/zinc/94/79/78/409947978.db2.gz YYXNBDYESRIFSX-OKILXGFUSA-N 1 1 321.333 1.023 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC[C@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1 ZINC000338373529 409947988 /nfs/dbraw/zinc/94/79/88/409947988.db2.gz YYXNBDYESRIFSX-OKILXGFUSA-N 1 1 321.333 1.023 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357392603 410010343 /nfs/dbraw/zinc/01/03/43/410010343.db2.gz OAOIUFQQRAXKPC-OLZOCXBDSA-N 1 1 320.393 1.996 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342938706 410014400 /nfs/dbraw/zinc/01/44/00/410014400.db2.gz YLCKWYJLAPFHJZ-MNOVXSKESA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342938706 410014403 /nfs/dbraw/zinc/01/44/03/410014403.db2.gz YLCKWYJLAPFHJZ-MNOVXSKESA-N 1 1 322.365 1.614 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000298517401 410270295 /nfs/dbraw/zinc/27/02/95/410270295.db2.gz LDOJPBINKHPESP-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000351774797 410225568 /nfs/dbraw/zinc/22/55/68/410225568.db2.gz NXSDZXPXNLWHRK-HONMWMINSA-N 1 1 305.334 1.013 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000351774797 410225575 /nfs/dbraw/zinc/22/55/75/410225575.db2.gz NXSDZXPXNLWHRK-HONMWMINSA-N 1 1 305.334 1.013 20 5 DDBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299126288 410536246 /nfs/dbraw/zinc/53/62/46/410536246.db2.gz IWUBYLWBTPKNEA-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299126288 410536252 /nfs/dbraw/zinc/53/62/52/410536252.db2.gz IWUBYLWBTPKNEA-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO [NH3+]CCCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000359301687 410590554 /nfs/dbraw/zinc/59/05/54/410590554.db2.gz HYVRSDHBAYSNQH-UHFFFAOYSA-N 1 1 303.366 1.642 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)O ZINC000352203663 410545097 /nfs/dbraw/zinc/54/50/97/410545097.db2.gz ULBARGKSGKWQNN-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO Cc1c(CNC(=O)N2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000359552646 410727610 /nfs/dbraw/zinc/72/76/10/410727610.db2.gz OAWYOMSVXHXCKW-UHFFFAOYSA-N 1 1 306.366 1.750 20 5 DDBDMO Cc1ccc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000301801011 410800083 /nfs/dbraw/zinc/80/00/83/410800083.db2.gz CDCBZRKHKIKDNX-CYBMUJFWSA-N 1 1 320.393 1.903 20 5 DDBDMO Cc1c([C@@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673534 410866008 /nfs/dbraw/zinc/86/60/08/410866008.db2.gz HKGPOMFCILMVPH-ZIAGYGMSSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1c([C@@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673534 410866012 /nfs/dbraw/zinc/86/60/12/410866012.db2.gz HKGPOMFCILMVPH-ZIAGYGMSSA-N 1 1 306.410 1.800 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344068257 410934309 /nfs/dbraw/zinc/93/43/09/410934309.db2.gz QIRRRIFZUGCELZ-XFMPKHEZSA-N 1 1 322.361 1.037 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000331294382 411061957 /nfs/dbraw/zinc/06/19/57/411061957.db2.gz XZKWBZGIPPBQTD-ZWNOBZJWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000331294382 411061962 /nfs/dbraw/zinc/06/19/62/411061962.db2.gz XZKWBZGIPPBQTD-ZWNOBZJWSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H](CO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499268 411034744 /nfs/dbraw/zinc/03/47/44/411034744.db2.gz CSPAYDOANSEHGE-RISCZKNCSA-N 1 1 304.350 1.636 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451576 411039295 /nfs/dbraw/zinc/03/92/95/411039295.db2.gz WTHBDLYEHCOUTL-GRYCIOLGSA-N 1 1 323.397 1.425 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000344370455 411096009 /nfs/dbraw/zinc/09/60/09/411096009.db2.gz HXIQAROTPOZZGG-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000344370455 411096012 /nfs/dbraw/zinc/09/60/12/411096012.db2.gz HXIQAROTPOZZGG-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncccn2)n1 ZINC000580661001 422947347 /nfs/dbraw/zinc/94/73/47/422947347.db2.gz ZPSQVWMXBWWMEI-NEPJUHHUSA-N 1 1 302.338 1.855 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000600314888 416617903 /nfs/dbraw/zinc/61/79/03/416617903.db2.gz QHCJHOWBDQSUPR-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO CC[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000042376668 418422855 /nfs/dbraw/zinc/42/28/55/418422855.db2.gz BOIASYWHWUNWPG-UHFFFAOYSA-N 1 1 315.171 1.894 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000366333440 418458785 /nfs/dbraw/zinc/45/87/85/418458785.db2.gz QLABRMUEZBXUPI-NXEZZACHSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000366333440 418458787 /nfs/dbraw/zinc/45/87/87/418458787.db2.gz QLABRMUEZBXUPI-NXEZZACHSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000366452413 418475159 /nfs/dbraw/zinc/47/51/59/418475159.db2.gz ZKIVIWXHLKODIL-GDNZZTSVSA-N 1 1 323.324 1.233 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000360661765 418486415 /nfs/dbraw/zinc/48/64/15/418486415.db2.gz CFZRHBMHIADHPY-UHFFFAOYSA-N 1 1 307.354 1.029 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997253 418562890 /nfs/dbraw/zinc/56/28/90/418562890.db2.gz FUHRKIWPZCWMME-GJZGRUSLSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291014824 222072292 /nfs/dbraw/zinc/07/22/92/222072292.db2.gz WRWZWJVWDUWZMC-UHFFFAOYSA-N 1 1 318.337 1.120 20 5 DDBDMO Cc1c(CN2CCC[N@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000375487318 418647577 /nfs/dbraw/zinc/64/75/77/418647577.db2.gz VSKKFGUQCOZBAB-CYBMUJFWSA-N 1 1 307.394 1.792 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1[C@H]1CCCO1 ZINC000367724748 418626978 /nfs/dbraw/zinc/62/69/78/418626978.db2.gz HFQBKASWMWDLAD-MJBXVCDLSA-N 1 1 324.381 1.042 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361361897 418635600 /nfs/dbraw/zinc/63/56/00/418635600.db2.gz MRRZCRWZOJDWOA-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361788237 418711141 /nfs/dbraw/zinc/71/11/41/418711141.db2.gz QWCLMXTVVGCOAI-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]12 ZINC000368063935 418682755 /nfs/dbraw/zinc/68/27/55/418682755.db2.gz OSKDVYXRDQEYCF-JQWIXIFHSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]12 ZINC000368063935 418682756 /nfs/dbraw/zinc/68/27/56/418682756.db2.gz OSKDVYXRDQEYCF-JQWIXIFHSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000368064692 418683270 /nfs/dbraw/zinc/68/32/70/418683270.db2.gz QNHFRCFPTHJPCW-BXUZGUMPSA-N 1 1 305.334 1.042 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000368067868 418684010 /nfs/dbraw/zinc/68/40/10/418684010.db2.gz BSONQEBLQMMIQP-QWRGUYRKSA-N 1 1 323.324 1.310 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000388150393 418745256 /nfs/dbraw/zinc/74/52/56/418745256.db2.gz HQTQSBSMQJMOIU-UHFFFAOYSA-N 1 1 300.318 1.683 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000364611075 418793283 /nfs/dbraw/zinc/79/32/83/418793283.db2.gz YLFFKLLLIHLWRY-LBPRGKRZSA-N 1 1 320.393 1.456 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000421026674 419457849 /nfs/dbraw/zinc/45/78/49/419457849.db2.gz UODNIWIVZRKGLJ-RYUDHWBXSA-N 1 1 310.350 1.827 20 5 DDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000412076230 419629135 /nfs/dbraw/zinc/62/91/35/419629135.db2.gz IQXHISOIYHYLKA-LBPRGKRZSA-N 1 1 310.375 1.933 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421704624 419686999 /nfs/dbraw/zinc/68/69/99/419686999.db2.gz PHLOZSZMLBFASN-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000421857720 419751606 /nfs/dbraw/zinc/75/16/06/419751606.db2.gz CBWVXOGFQMIDPH-OAHLLOKOSA-N 1 1 307.350 1.008 20 5 DDBDMO COCC[N@@H+](C)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413056134 419769447 /nfs/dbraw/zinc/76/94/47/419769447.db2.gz UATHPWPBIIGYNN-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DDBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000415030499 419918385 /nfs/dbraw/zinc/91/83/85/419918385.db2.gz CMKSRSCDGLUONV-ZFWWWQNUSA-N 1 1 307.394 1.884 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000299624820 229274305 /nfs/dbraw/zinc/27/43/05/229274305.db2.gz KRDMZGXZAQQRDC-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO [NH3+]CC(F)(F)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423333328 420017966 /nfs/dbraw/zinc/01/79/66/420017966.db2.gz FDVAOWYQRGWDCH-NXEZZACHSA-N 1 1 303.313 1.459 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000430195580 420088081 /nfs/dbraw/zinc/08/80/81/420088081.db2.gz OGEZMTRRFGBXBV-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC([NH3+])C1 ZINC000420335245 420218316 /nfs/dbraw/zinc/21/83/16/420218316.db2.gz PMOUMTJFLJBGQD-UHFFFAOYSA-N 1 1 306.366 1.653 20 5 DDBDMO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496861 420394285 /nfs/dbraw/zinc/39/42/85/420394285.db2.gz RAAAQMPMCPUICL-SECBINFHSA-N 1 1 319.408 1.195 20 5 DDBDMO CC[C@](C)(C(=O)OC)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000425509411 420404046 /nfs/dbraw/zinc/40/40/46/420404046.db2.gz IJLSDWPHLYZSSX-OAHLLOKOSA-N 1 1 324.381 1.845 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000457101603 420612383 /nfs/dbraw/zinc/61/23/83/420612383.db2.gz YPGLFIASEWDSHD-NSHDSACASA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000457101603 420612388 /nfs/dbraw/zinc/61/23/88/420612388.db2.gz YPGLFIASEWDSHD-NSHDSACASA-N 1 1 307.350 1.042 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000447813631 420804055 /nfs/dbraw/zinc/80/40/55/420804055.db2.gz STZFBLNPCRTPTP-NSHDSACASA-N 1 1 318.381 2.170 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493392996 420836412 /nfs/dbraw/zinc/83/64/12/420836412.db2.gz RGDQNIDBGATEGH-LVDDQXARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493392996 420836415 /nfs/dbraw/zinc/83/64/15/420836415.db2.gz RGDQNIDBGATEGH-LVDDQXARSA-N 1 1 319.361 1.133 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000493623089 420898918 /nfs/dbraw/zinc/89/89/18/420898918.db2.gz MJQDXRKJYRKIGC-RYBZSIHZSA-N 1 1 311.288 1.674 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456019965 421089277 /nfs/dbraw/zinc/08/92/77/421089277.db2.gz IOKUWNFUAOTOEZ-CABZTGNLSA-N 1 1 319.365 1.244 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489925373 421180765 /nfs/dbraw/zinc/18/07/65/421180765.db2.gz OEBJIKQXLCZAEG-JTQLQIEISA-N 1 1 315.333 1.578 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000563822698 421546765 /nfs/dbraw/zinc/54/67/65/421546765.db2.gz LWTBUOGIEBVBCA-NSHDSACASA-N 1 1 307.350 1.561 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000570292982 421636293 /nfs/dbraw/zinc/63/62/93/421636293.db2.gz GZPGWFYIPMQSNN-CQSZACIVSA-N 1 1 304.350 1.771 20 5 DDBDMO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000571102129 421688528 /nfs/dbraw/zinc/68/85/28/421688528.db2.gz GRMGCLJWMGGBMC-LBPRGKRZSA-N 1 1 307.350 1.430 20 5 DDBDMO COC(=O)CCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000519069754 421678160 /nfs/dbraw/zinc/67/81/60/421678160.db2.gz FNPBPTWFMSAJPO-UHFFFAOYSA-N 1 1 310.354 1.494 20 5 DDBDMO C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000557569719 421777246 /nfs/dbraw/zinc/77/72/46/421777246.db2.gz PXNRGHCNOLJQSY-CYBMUJFWSA-N 1 1 321.377 1.537 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596075742 422362757 /nfs/dbraw/zinc/36/27/57/422362757.db2.gz KHKVRQGOERFOOE-LBPRGKRZSA-N 1 1 307.398 2.496 20 5 DDBDMO C[N@H+]1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000590582373 422320445 /nfs/dbraw/zinc/32/04/45/422320445.db2.gz QUYRIZTUSIZDHK-UKRRQHHQSA-N 1 1 313.361 2.429 20 5 DDBDMO COC(=O)Cc1ccc(NCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000578292975 422539592 /nfs/dbraw/zinc/53/95/92/422539592.db2.gz ZLKRPMHUELRRNG-UHFFFAOYSA-N 1 1 318.333 1.698 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000314967607 271013996 /nfs/dbraw/zinc/01/39/96/271013996.db2.gz VTBKJEQTIOQRJM-LLVKDONJSA-N 1 1 306.366 1.836 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000341577006 271125953 /nfs/dbraw/zinc/12/59/53/271125953.db2.gz MGTIZMYRDGTDPE-INIZCTEOSA-N 1 1 321.377 1.649 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)[C@H](C)C1 ZINC000341799996 271215652 /nfs/dbraw/zinc/21/56/52/271215652.db2.gz PKGPYTGMMSRJNI-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)[C@H](C)C1 ZINC000341799996 271215656 /nfs/dbraw/zinc/21/56/56/271215656.db2.gz PKGPYTGMMSRJNI-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000345361247 272230360 /nfs/dbraw/zinc/23/03/60/272230360.db2.gz ZQOKSHUCVSAXDM-UHFFFAOYSA-N 1 1 308.382 1.208 20 5 DDBDMO CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000345361247 272230361 /nfs/dbraw/zinc/23/03/61/272230361.db2.gz ZQOKSHUCVSAXDM-UHFFFAOYSA-N 1 1 308.382 1.208 20 5 DDBDMO CC(C)([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000298124518 273506618 /nfs/dbraw/zinc/50/66/18/273506618.db2.gz KNKIAHSPWIFFSK-LBPRGKRZSA-N 1 1 321.377 1.715 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601472 274343876 /nfs/dbraw/zinc/34/38/76/274343876.db2.gz HERRHLAHXCIDNP-BXKDBHETSA-N 1 1 304.350 1.390 20 5 DDBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193354621 277933342 /nfs/dbraw/zinc/93/33/42/277933342.db2.gz KPKGZHOLZYWACJ-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO CCN1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551626 281037376 /nfs/dbraw/zinc/03/73/76/281037376.db2.gz YREYXZQGBSXOBC-UHFFFAOYSA-N 1 1 308.382 1.173 20 5 DDBDMO CCN1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551626 281037378 /nfs/dbraw/zinc/03/73/78/281037378.db2.gz YREYXZQGBSXOBC-UHFFFAOYSA-N 1 1 308.382 1.173 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000124681040 281193640 /nfs/dbraw/zinc/19/36/40/281193640.db2.gz RQCSODGJJHYNSE-DTORHVGOSA-N 1 1 317.392 1.171 20 5 DDBDMO C[N@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000129963527 281363361 /nfs/dbraw/zinc/36/33/61/281363361.db2.gz GUSUSJWXBYSJSO-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO C[N@@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000129963527 281363363 /nfs/dbraw/zinc/36/33/63/281363363.db2.gz GUSUSJWXBYSJSO-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362281198 300043365 /nfs/dbraw/zinc/04/33/65/300043365.db2.gz KMGCMIZVYDUIQR-AWEZNQCLSA-N 1 1 304.354 1.670 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000363325317 300251985 /nfs/dbraw/zinc/25/19/85/300251985.db2.gz BWWNMUOWXURHGG-UHFFFAOYSA-N 1 1 306.366 1.856 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368587740 301058744 /nfs/dbraw/zinc/05/87/44/301058744.db2.gz DRYJEIJFSCZHAM-CZUORRHYSA-N 1 1 317.389 1.998 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cccc1[N+](=O)[O-] ZINC000368804836 301090173 /nfs/dbraw/zinc/09/01/73/301090173.db2.gz JBOBJSACXYEBFU-AWEZNQCLSA-N 1 1 318.377 1.893 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928226 302122246 /nfs/dbraw/zinc/12/22/46/302122246.db2.gz YXJKCTPKUCRFLJ-MRVWCRGKSA-N 1 1 321.381 1.686 20 5 DDBDMO O=C1NC2(CO1)CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000496417336 302571790 /nfs/dbraw/zinc/57/17/90/302571790.db2.gz KZVRQXPEUKARAH-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530963066 303222640 /nfs/dbraw/zinc/22/26/40/303222640.db2.gz BJBIZILWCHPDFY-HIFRSBDPSA-N 1 1 317.349 1.384 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000538918461 303392241 /nfs/dbraw/zinc/39/22/41/303392241.db2.gz CKZAEYUCECPRGQ-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000538918461 303392242 /nfs/dbraw/zinc/39/22/42/303392242.db2.gz CKZAEYUCECPRGQ-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1ccc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000366758667 307080797 /nfs/dbraw/zinc/08/07/97/307080797.db2.gz PAYMXWOMPDIGOS-UHFFFAOYSA-N 1 1 320.393 1.504 20 5 DDBDMO Cc1ccc(N2CCC[N@H+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000366758667 307080798 /nfs/dbraw/zinc/08/07/98/307080798.db2.gz PAYMXWOMPDIGOS-UHFFFAOYSA-N 1 1 320.393 1.504 20 5 DDBDMO Cc1cc(C2=CC[N@@H+](CCOCCO)CC2)cc([N+](=O)[O-])c1N ZINC000374084981 307203117 /nfs/dbraw/zinc/20/31/17/307203117.db2.gz XLZVWNGFQXFYPC-UHFFFAOYSA-N 1 1 321.377 1.583 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000376643027 307251212 /nfs/dbraw/zinc/25/12/12/307251212.db2.gz MSTRXQXZQSUFFX-BXUZGUMPSA-N 1 1 304.350 1.464 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000565233511 308026429 /nfs/dbraw/zinc/02/64/29/308026429.db2.gz MXSWYMBAZHCRHD-CYBMUJFWSA-N 1 1 319.365 1.554 20 5 DDBDMO C[N@@H+](C[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117001 308043791 /nfs/dbraw/zinc/04/37/91/308043791.db2.gz LJAOSOAPYKYLDO-AWEZNQCLSA-N 1 1 309.366 1.018 20 5 DDBDMO CN(C[C@@H](O)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000566117001 308043793 /nfs/dbraw/zinc/04/37/93/308043793.db2.gz LJAOSOAPYKYLDO-AWEZNQCLSA-N 1 1 309.366 1.018 20 5 DDBDMO C[N@@H+](C[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000566123492 308044652 /nfs/dbraw/zinc/04/46/52/308044652.db2.gz AOVVYQFFGCWJEE-LBPRGKRZSA-N 1 1 319.365 1.016 20 5 DDBDMO CC1(C)[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000576237733 308299972 /nfs/dbraw/zinc/29/99/72/308299972.db2.gz HSCBASCSIBYUQR-NEPJUHHUSA-N 1 1 318.333 1.894 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000576253290 308301114 /nfs/dbraw/zinc/30/11/14/308301114.db2.gz KLTLSBLXMGDHNG-GFCCVEGCSA-N 1 1 322.365 1.642 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875164 490372056 /nfs/dbraw/zinc/37/20/56/490372056.db2.gz PWFBSUPWRHBQGQ-XJKCOSOUSA-N 1 1 324.377 1.285 20 5 DDBDMO CCOCC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657231 528862665 /nfs/dbraw/zinc/86/26/65/528862665.db2.gz KBVXXSFWOBKWDQ-GXTWGEPZSA-N 1 1 324.381 1.264 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000050900127 696235205 /nfs/dbraw/zinc/23/52/05/696235205.db2.gz BBEBSEJGPCXGMI-CYBMUJFWSA-N 1 1 323.397 1.604 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000050900127 696235206 /nfs/dbraw/zinc/23/52/06/696235206.db2.gz BBEBSEJGPCXGMI-CYBMUJFWSA-N 1 1 323.397 1.604 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069143938 696380842 /nfs/dbraw/zinc/38/08/42/696380842.db2.gz WCOVVQVINLZLSO-LLVKDONJSA-N 1 1 318.782 1.915 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000748500435 700122309 /nfs/dbraw/zinc/12/23/09/700122309.db2.gz QVKFDZZIYUUPKC-UHFFFAOYSA-N 1 1 309.322 1.056 20 5 DDBDMO CCC(=O)N1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274966 698090584 /nfs/dbraw/zinc/09/05/84/698090584.db2.gz DZARDDBCJNKOAX-OAHLLOKOSA-N 1 1 321.377 1.573 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274966 698090587 /nfs/dbraw/zinc/09/05/87/698090587.db2.gz DZARDDBCJNKOAX-OAHLLOKOSA-N 1 1 321.377 1.573 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590907 698123509 /nfs/dbraw/zinc/12/35/09/698123509.db2.gz MFRSJDQBNAWYMN-KBPBESRZSA-N 1 1 308.334 1.656 20 5 DDBDMO CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778202617 698249475 /nfs/dbraw/zinc/24/94/75/698249475.db2.gz CZSPPAGYJMYGSF-VXGBXAGGSA-N 1 1 322.283 1.873 20 5 DDBDMO CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778202617 698249477 /nfs/dbraw/zinc/24/94/77/698249477.db2.gz CZSPPAGYJMYGSF-VXGBXAGGSA-N 1 1 322.283 1.873 20 5 DDBDMO Cn1ccnc1[C@@H](N[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765202 698558535 /nfs/dbraw/zinc/55/85/35/698558535.db2.gz WYDDVCKNDXLRGL-ZFWWWQNUSA-N 1 1 315.377 1.711 20 5 DDBDMO NC(=[NH+]OCCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000782332144 698710048 /nfs/dbraw/zinc/71/00/48/698710048.db2.gz KDGMWZLNUOBSND-UHFFFAOYSA-N 1 1 309.322 1.899 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)o2)cc1 ZINC000782623107 698753379 /nfs/dbraw/zinc/75/33/79/698753379.db2.gz YMBJTAVHAWPJJX-XHDPSFHLSA-N 1 1 316.317 1.459 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4C[C@]4(CO)C3)o2)cc1 ZINC000782623107 698753381 /nfs/dbraw/zinc/75/33/81/698753381.db2.gz YMBJTAVHAWPJJX-XHDPSFHLSA-N 1 1 316.317 1.459 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000786193006 699133546 /nfs/dbraw/zinc/13/35/46/699133546.db2.gz VYNCWUNIDXTWLO-HUUCEWRRSA-N 1 1 310.350 1.366 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801991310 700362423 /nfs/dbraw/zinc/36/24/23/700362423.db2.gz MKCVARHXJWWXSL-NWDGAFQWSA-N 1 1 302.277 1.942 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248482 700557951 /nfs/dbraw/zinc/55/79/51/700557951.db2.gz NUTDEGVQLGLRCS-HIFRSBDPSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248482 700557953 /nfs/dbraw/zinc/55/79/53/700557953.db2.gz NUTDEGVQLGLRCS-HIFRSBDPSA-N 1 1 307.350 1.358 20 5 DDBDMO CC[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000839517584 701721969 /nfs/dbraw/zinc/72/19/69/701721969.db2.gz RZZHLJPQMORYBF-BZUAXINKSA-N 1 1 317.389 1.605 20 5 DDBDMO CC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000839517584 701721974 /nfs/dbraw/zinc/72/19/74/701721974.db2.gz RZZHLJPQMORYBF-BZUAXINKSA-N 1 1 317.389 1.605 20 5 DDBDMO CC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000839517584 701721977 /nfs/dbraw/zinc/72/19/77/701721977.db2.gz RZZHLJPQMORYBF-BZUAXINKSA-N 1 1 317.389 1.605 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000810091407 701727685 /nfs/dbraw/zinc/72/76/85/701727685.db2.gz SUUDTWUZZNRPJA-SECBINFHSA-N 1 1 321.424 1.663 20 5 DDBDMO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839687467 701784386 /nfs/dbraw/zinc/78/43/86/701784386.db2.gz GNBUBNOREIDPGR-UKRRQHHQSA-N 1 1 316.361 1.807 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000879262749 706633431 /nfs/dbraw/zinc/63/34/31/706633431.db2.gz ZIIGSPRBXDKZJZ-KKUMJFAQSA-N 1 1 310.350 1.100 20 5 DDBDMO C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000840179366 702015667 /nfs/dbraw/zinc/01/56/67/702015667.db2.gz RBXMSAWBLNSXOK-CQSZACIVSA-N 1 1 315.377 1.955 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000868519330 702173960 /nfs/dbraw/zinc/17/39/60/702173960.db2.gz AOSYIMLSSGVSQW-AAEUAGOBSA-N 1 1 307.325 1.439 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@@H+](C)C1 ZINC000843990490 702949823 /nfs/dbraw/zinc/94/98/23/702949823.db2.gz UJIAOJWEFMDGRR-LBPRGKRZSA-N 1 1 306.366 1.733 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000844314199 703011338 /nfs/dbraw/zinc/01/13/38/703011338.db2.gz RYXZFKRJSDNEME-LLVKDONJSA-N 1 1 307.350 1.517 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc(F)n3)CC2)c1 ZINC000831478115 706715011 /nfs/dbraw/zinc/71/50/11/706715011.db2.gz XYKSHDMTAVNJMO-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO CC[N@H+](CCOC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474334 703554406 /nfs/dbraw/zinc/55/44/06/703554406.db2.gz BHRBRWPWVIGCMD-HNNXBMFYSA-N 1 1 321.377 1.837 20 5 DDBDMO CC[N@@H+](CCOC)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474334 703554408 /nfs/dbraw/zinc/55/44/08/703554408.db2.gz BHRBRWPWVIGCMD-HNNXBMFYSA-N 1 1 321.377 1.837 20 5 DDBDMO COC(=O)[C@]12C[N@H+](Cn3nccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000848490197 703557023 /nfs/dbraw/zinc/55/70/23/703557023.db2.gz DLQOEHKOPBWNCI-BXUZGUMPSA-N 1 1 308.338 1.414 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000848490197 703557024 /nfs/dbraw/zinc/55/70/24/703557024.db2.gz DLQOEHKOPBWNCI-BXUZGUMPSA-N 1 1 308.338 1.414 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410508 704036503 /nfs/dbraw/zinc/03/65/03/704036503.db2.gz CDPYSWPJECBZCH-GJZGRUSLSA-N 1 1 310.350 1.102 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000852495719 704062241 /nfs/dbraw/zinc/06/22/41/704062241.db2.gz MTMYJOHZMGXXQE-BPLDGKMQSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000852498158 704063703 /nfs/dbraw/zinc/06/37/03/704063703.db2.gz ZSNVSCGAGKAOQS-ZWNOBZJWSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000852498158 704063704 /nfs/dbraw/zinc/06/37/04/704063704.db2.gz ZSNVSCGAGKAOQS-ZWNOBZJWSA-N 1 1 307.325 1.834 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000870874767 704153813 /nfs/dbraw/zinc/15/38/13/704153813.db2.gz SVEZAZNRDGFISM-CQSZACIVSA-N 1 1 309.391 1.734 20 5 DDBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853576542 704274043 /nfs/dbraw/zinc/27/40/43/704274043.db2.gz PKHWYIUOQXZAQB-QWRGUYRKSA-N 1 1 316.317 1.711 20 5 DDBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853576542 704274046 /nfs/dbraw/zinc/27/40/46/704274046.db2.gz PKHWYIUOQXZAQB-QWRGUYRKSA-N 1 1 316.317 1.711 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000853603458 704283307 /nfs/dbraw/zinc/28/33/07/704283307.db2.gz QGHLGBKTOHVOFZ-ZDUSSCGKSA-N 1 1 323.397 1.602 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000853603458 704283309 /nfs/dbraw/zinc/28/33/09/704283309.db2.gz QGHLGBKTOHVOFZ-ZDUSSCGKSA-N 1 1 323.397 1.602 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880309051 706936259 /nfs/dbraw/zinc/93/62/59/706936259.db2.gz LRBCLHQURMLASF-NSHDSACASA-N 1 1 322.287 1.753 20 5 DDBDMO O=C(CC[N@@H+]1CC=C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000880488786 706992469 /nfs/dbraw/zinc/99/24/69/706992469.db2.gz MAXCSNSEVZQFHI-NSHDSACASA-N 1 1 309.297 1.295 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000822314404 704915175 /nfs/dbraw/zinc/91/51/75/704915175.db2.gz UWHPIUFNYFSIGS-BETUJISGSA-N 1 1 315.414 1.437 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159903 705117910 /nfs/dbraw/zinc/11/79/10/705117910.db2.gz IGNKFAYLQRUSCS-DGCLKSJQSA-N 1 1 306.318 1.598 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159903 705117914 /nfs/dbraw/zinc/11/79/14/705117914.db2.gz IGNKFAYLQRUSCS-DGCLKSJQSA-N 1 1 306.318 1.598 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000861385135 705452358 /nfs/dbraw/zinc/45/23/58/705452358.db2.gz NBMQEEADBORTRR-UHFFFAOYSA-N 1 1 316.317 1.643 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827265997 705963860 /nfs/dbraw/zinc/96/38/60/705963860.db2.gz JKJMPYWRRUFQBX-DGCLKSJQSA-N 1 1 319.361 1.770 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297889 705970736 /nfs/dbraw/zinc/97/07/36/705970736.db2.gz HNVKQNOYTMYAAQ-GHMZBOCLSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297889 705970740 /nfs/dbraw/zinc/97/07/40/705970740.db2.gz HNVKQNOYTMYAAQ-GHMZBOCLSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297889 705970743 /nfs/dbraw/zinc/97/07/43/705970743.db2.gz HNVKQNOYTMYAAQ-GHMZBOCLSA-N 1 1 321.381 1.608 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000877140099 705994433 /nfs/dbraw/zinc/99/44/33/705994433.db2.gz MXULUIOGRGXHFX-HNNXBMFYSA-N 1 1 320.324 1.561 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000877140099 705994437 /nfs/dbraw/zinc/99/44/37/705994437.db2.gz MXULUIOGRGXHFX-HNNXBMFYSA-N 1 1 320.324 1.561 20 5 DDBDMO C/C(=C/C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863833368 706024433 /nfs/dbraw/zinc/02/44/33/706024433.db2.gz PIANAICXVPDSEJ-WQTVUKCASA-N 1 1 319.361 1.181 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863833493 706024737 /nfs/dbraw/zinc/02/47/37/706024737.db2.gz QBMUFEZIHUGANZ-WQTVUKCASA-N 1 1 319.361 1.181 20 5 DDBDMO C[N@H+]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877935166 706244906 /nfs/dbraw/zinc/24/49/06/706244906.db2.gz KVPOFCKLXZCVLN-UHFFFAOYSA-N 1 1 317.349 1.782 20 5 DDBDMO COCC[N@@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865502226 706448088 /nfs/dbraw/zinc/44/80/88/706448088.db2.gz IPKXBMUTIZERER-UHFFFAOYSA-N 1 1 301.318 1.216 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865608593 706476450 /nfs/dbraw/zinc/47/64/50/706476450.db2.gz LLRKTLWETGJQLA-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)n1 ZINC000880190197 706906024 /nfs/dbraw/zinc/90/60/24/706906024.db2.gz YOMKCTHRNXTJME-GJZGRUSLSA-N 1 1 313.361 1.754 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880309927 706936970 /nfs/dbraw/zinc/93/69/70/706936970.db2.gz MAGQHCRUILQAAF-TXEJJXNPSA-N 1 1 307.325 1.644 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880309927 706936974 /nfs/dbraw/zinc/93/69/74/706936974.db2.gz MAGQHCRUILQAAF-TXEJJXNPSA-N 1 1 307.325 1.644 20 5 DDBDMO Cc1c(C[N@H+](CC(N)=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000880391213 706961038 /nfs/dbraw/zinc/96/10/38/706961038.db2.gz DFFDYGODQLPMGZ-UHFFFAOYSA-N 1 1 307.350 1.370 20 5 DDBDMO Cc1c(C[N@@H+](CC(N)=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000880391213 706961039 /nfs/dbraw/zinc/96/10/39/706961039.db2.gz DFFDYGODQLPMGZ-UHFFFAOYSA-N 1 1 307.350 1.370 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428832 706972764 /nfs/dbraw/zinc/97/27/64/706972764.db2.gz SLXGGNNUNXYSAF-LSDHHAIUSA-N 1 1 310.350 1.709 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880528627 707005284 /nfs/dbraw/zinc/00/52/84/707005284.db2.gz FJCYPLQFDLTCTP-NILFDRSVSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880528627 707005287 /nfs/dbraw/zinc/00/52/87/707005287.db2.gz FJCYPLQFDLTCTP-NILFDRSVSA-N 1 1 319.361 1.229 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880585225 707027783 /nfs/dbraw/zinc/02/77/83/707027783.db2.gz FSFPIYXVMGDBGZ-HNNXBMFYSA-N 1 1 306.362 1.958 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000872725090 707573352 /nfs/dbraw/zinc/57/33/52/707573352.db2.gz ORLJVDWTQBFOKT-WFASDCNBSA-N 1 1 315.377 1.928 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781607 707597795 /nfs/dbraw/zinc/59/77/95/707597795.db2.gz VZKYNHHMICEPEL-STQMWFEESA-N 1 1 318.377 1.627 20 5 DDBDMO Cc1cc(NCC[N@H+](C)CCOCCO)c(F)cc1[N+](=O)[O-] ZINC000882951183 707867444 /nfs/dbraw/zinc/86/74/44/707867444.db2.gz SGXPQTGSETWLMY-UHFFFAOYSA-N 1 1 315.345 1.395 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000882960625 707873771 /nfs/dbraw/zinc/87/37/71/707873771.db2.gz QDWGREATYHRWAH-VIFPVBQESA-N 1 1 306.322 1.432 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1C ZINC000898279696 708596605 /nfs/dbraw/zinc/59/66/05/708596605.db2.gz JLMAARFFWNQPRE-CYBMUJFWSA-N 1 1 319.361 1.103 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1C ZINC000898279696 708596607 /nfs/dbraw/zinc/59/66/07/708596607.db2.gz JLMAARFFWNQPRE-CYBMUJFWSA-N 1 1 319.361 1.103 20 5 DDBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)cn1 ZINC000886030127 708685216 /nfs/dbraw/zinc/68/52/16/708685216.db2.gz GWKBFGCEBCBNCQ-LBPRGKRZSA-N 1 1 301.350 1.788 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000887939201 709173587 /nfs/dbraw/zinc/17/35/87/709173587.db2.gz URUXTWPISIZTCA-BLLLJJGKSA-N 1 1 319.361 1.627 20 5 DDBDMO CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888993738 709426144 /nfs/dbraw/zinc/42/61/44/709426144.db2.gz DUQVSYVOTFNSGH-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888993738 709426146 /nfs/dbraw/zinc/42/61/46/709426146.db2.gz DUQVSYVOTFNSGH-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267394 709512706 /nfs/dbraw/zinc/51/27/06/709512706.db2.gz FHEOPOIWAPHJJS-LRDDRELGSA-N 1 1 321.377 1.619 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1C ZINC000889636895 709568626 /nfs/dbraw/zinc/56/86/26/709568626.db2.gz HOINAFBUONVIDC-TZMCWYRMSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1C ZINC000889636895 709568629 /nfs/dbraw/zinc/56/86/29/709568629.db2.gz HOINAFBUONVIDC-TZMCWYRMSA-N 1 1 321.377 1.661 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900804820 709767157 /nfs/dbraw/zinc/76/71/57/709767157.db2.gz NNNONYGNGYBRSE-HZMBPMFUSA-N 1 1 324.356 1.098 20 5 DDBDMO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247989 713157308 /nfs/dbraw/zinc/15/73/08/713157308.db2.gz GCJFLDMBADPCOF-OLZOCXBDSA-N 1 1 320.393 1.408 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000893872084 710866962 /nfs/dbraw/zinc/86/69/62/710866962.db2.gz ONWPJBKXHDNZDG-VIFPVBQESA-N 1 1 307.306 1.148 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000893874481 710869357 /nfs/dbraw/zinc/86/93/57/710869357.db2.gz XDUPOSSEAFGTHT-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000893874481 710869361 /nfs/dbraw/zinc/86/93/61/710869361.db2.gz XDUPOSSEAFGTHT-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893942027 710894819 /nfs/dbraw/zinc/89/48/19/710894819.db2.gz YQFCSHAPEIVHQU-JQWIXIFHSA-N 1 1 320.349 1.225 20 5 DDBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1[NH+]1CCOCC1 ZINC000911837030 711023836 /nfs/dbraw/zinc/02/38/36/711023836.db2.gz BTWMRJDQWWSYAD-VXGBXAGGSA-N 1 1 323.349 1.417 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000894272674 711046728 /nfs/dbraw/zinc/04/67/28/711046728.db2.gz JNHNZRVRWSOABE-UHFFFAOYSA-N 1 1 324.381 1.545 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](CCCO)C2)c1[N+](=O)[O-] ZINC000894797602 711275178 /nfs/dbraw/zinc/27/51/78/711275178.db2.gz NTLHPZWDZXLSGK-NSHDSACASA-N 1 1 310.350 1.903 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000913537266 713249053 /nfs/dbraw/zinc/24/90/53/713249053.db2.gz AGJHOPDGVPDXRD-TXEJJXNPSA-N 1 1 314.345 1.995 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000913537266 713249055 /nfs/dbraw/zinc/24/90/55/713249055.db2.gz AGJHOPDGVPDXRD-TXEJJXNPSA-N 1 1 314.345 1.995 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895099617 711410627 /nfs/dbraw/zinc/41/06/27/711410627.db2.gz KMYRCGIPMVTQIW-PHIMTYICSA-N 1 1 322.365 1.695 20 5 DDBDMO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1C ZINC000895735272 711590330 /nfs/dbraw/zinc/59/03/30/711590330.db2.gz CBRDJOPBCDHFMI-RQJHMYQMSA-N 1 1 307.276 1.852 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896558121 711751441 /nfs/dbraw/zinc/75/14/41/711751441.db2.gz YDZHAUNCFOVBHJ-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579333 711757507 /nfs/dbraw/zinc/75/75/07/711757507.db2.gz FQBXIXPPYJPYNC-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908350609 712749562 /nfs/dbraw/zinc/74/95/62/712749562.db2.gz ZUTSADOXPZLUGX-PRHODGIISA-N 1 1 324.768 1.607 20 5 DDBDMO COc1cccc([C@H]2[C@@H](NCC[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000930353777 713812173 /nfs/dbraw/zinc/81/21/73/713812173.db2.gz KGWLYTVHIBTOOE-HOTGVXAUSA-N 1 1 305.378 1.839 20 5 DDBDMO C[C@](CO)([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000930451451 713837916 /nfs/dbraw/zinc/83/79/16/713837916.db2.gz QNIHCYIGDIDMOM-LLVKDONJSA-N 1 1 303.156 1.523 20 5 DDBDMO CON1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636365 713883648 /nfs/dbraw/zinc/88/36/48/713883648.db2.gz GAKYIBRVBFDQKW-HIFRSBDPSA-N 1 1 319.361 1.937 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916133 713958285 /nfs/dbraw/zinc/95/82/85/713958285.db2.gz NJSYFAHHVAZXLF-JMSVASOKSA-N 1 1 321.377 1.948 20 5 DDBDMO C[C@@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000933038614 714505836 /nfs/dbraw/zinc/50/58/36/714505836.db2.gz NGZIYLMBPLWHOH-RISCZKNCSA-N 1 1 319.361 1.541 20 5 DDBDMO C[C@@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000933038611 714506038 /nfs/dbraw/zinc/50/60/38/714506038.db2.gz NGZIYLMBPLWHOH-BXUZGUMPSA-N 1 1 319.361 1.541 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000933754596 714664661 /nfs/dbraw/zinc/66/46/61/714664661.db2.gz HKRKDAUUICYYHV-NHYWBVRUSA-N 1 1 307.325 1.821 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934259194 714778389 /nfs/dbraw/zinc/77/83/89/714778389.db2.gz HHRNWSJIZRUSNC-DLBZAZTESA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000934259194 714778392 /nfs/dbraw/zinc/77/83/92/714778392.db2.gz HHRNWSJIZRUSNC-DLBZAZTESA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934259194 714778395 /nfs/dbraw/zinc/77/83/95/714778395.db2.gz HHRNWSJIZRUSNC-DLBZAZTESA-N 1 1 319.405 1.668 20 5 DDBDMO C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000925383083 714836879 /nfs/dbraw/zinc/83/68/79/714836879.db2.gz QRJUMAXHKRFFHI-GWCFXTLKSA-N 1 1 303.322 1.861 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164643048 719178193 /nfs/dbraw/zinc/17/81/93/719178193.db2.gz YWMJDCJFZDVXNV-ZJUUUORDSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164643048 719178196 /nfs/dbraw/zinc/17/81/96/719178196.db2.gz YWMJDCJFZDVXNV-ZJUUUORDSA-N 1 1 308.338 1.305 20 5 DDBDMO Cc1cc(Cl)nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164665837 719384490 /nfs/dbraw/zinc/38/44/90/719384490.db2.gz IWTBKWUDDFDAPD-NXEZZACHSA-N 1 1 312.757 1.471 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000589604370 719389274 /nfs/dbraw/zinc/38/92/74/719389274.db2.gz XZWBNTJGLXWLND-UONOGXRCSA-N 1 1 315.333 1.057 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000590694492 719482482 /nfs/dbraw/zinc/48/24/82/719482482.db2.gz XDWXIXXHPVIZHH-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2nccc(Br)c2[N+](=O)[O-])C1 ZINC001167281293 732896732 /nfs/dbraw/zinc/89/67/32/732896732.db2.gz RZNNBGPOBSMMPG-ZETCQYMHSA-N 1 1 301.144 1.868 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000894623326 740327819 /nfs/dbraw/zinc/32/78/19/740327819.db2.gz OMCSQICIQLLHCK-CYBMUJFWSA-N 1 1 322.365 1.034 20 5 DDBDMO CC(C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)=C1CCC1 ZINC001126876005 742406277 /nfs/dbraw/zinc/40/62/77/742406277.db2.gz XCTYMKLTZIYCLC-UHFFFAOYSA-N 1 1 307.354 1.035 20 5 DDBDMO COc1cccc(NCC2([NH+]3CCCC3)COC2)c1[N+](=O)[O-] ZINC001168451064 745113218 /nfs/dbraw/zinc/11/32/18/745113218.db2.gz FSCHAZBTLKTUOY-UHFFFAOYSA-N 1 1 307.350 1.880 20 5 DDBDMO O=C(NCC1C[NH+](CCc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660251 747335450 /nfs/dbraw/zinc/33/54/50/747335450.db2.gz FFCJEGVTERMFRE-CHWSQXEVSA-N 1 1 309.391 1.004 20 5 DDBDMO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000996429753 749588963 /nfs/dbraw/zinc/58/89/63/749588963.db2.gz WDPYDMBNDZOCGE-VXGBXAGGSA-N 1 1 324.406 1.197 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000997773046 751270134 /nfs/dbraw/zinc/27/01/34/751270134.db2.gz RLAVZPKYGKZHJX-ZIAGYGMSSA-N 1 1 323.418 1.742 20 5 DDBDMO CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025837 762203503 /nfs/dbraw/zinc/20/35/03/762203503.db2.gz ZGHNKMYSVBISMA-NHIYQJMISA-N 1 1 309.410 1.622 20 5 DDBDMO CN1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001169659969 762582231 /nfs/dbraw/zinc/58/22/31/762582231.db2.gz KVXTXBFHDJJEBC-GFCCVEGCSA-N 1 1 320.393 1.325 20 5 DDBDMO CN1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001169659969 762582239 /nfs/dbraw/zinc/58/22/39/762582239.db2.gz KVXTXBFHDJJEBC-GFCCVEGCSA-N 1 1 320.393 1.325 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139309 760614289 /nfs/dbraw/zinc/61/42/89/760614289.db2.gz XHCLNTNKLSPGPA-KBUPBQIOSA-N 1 1 309.410 1.859 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327847 766253996 /nfs/dbraw/zinc/25/39/96/766253996.db2.gz IIKWAZPQSJXIMY-VZJVUDMVSA-N 1 1 312.341 1.939 20 5 DDBDMO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507451 773156202 /nfs/dbraw/zinc/15/62/02/773156202.db2.gz ONPBBPSBHYQOPQ-ZYDHHDLOSA-N 1 1 321.421 1.932 20 5 DDBDMO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507451 773156205 /nfs/dbraw/zinc/15/62/05/773156205.db2.gz ONPBBPSBHYQOPQ-ZYDHHDLOSA-N 1 1 321.421 1.932 20 5 DDBDMO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507451 773156207 /nfs/dbraw/zinc/15/62/07/773156207.db2.gz ONPBBPSBHYQOPQ-ZYDHHDLOSA-N 1 1 321.421 1.932 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001147741603 773227896 /nfs/dbraw/zinc/22/78/96/773227896.db2.gz GEKCQQIFFCEZMA-ZYHUDNBSSA-N 1 1 321.381 1.517 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094008249 775323789 /nfs/dbraw/zinc/32/37/89/775323789.db2.gz JNFXRTYMLGNZNP-UHFFFAOYSA-N 1 1 317.349 1.636 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001100149888 775735439 /nfs/dbraw/zinc/73/54/39/775735439.db2.gz UNPXAKHNOQIOOA-UHFFFAOYSA-N 1 1 323.397 1.191 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCCO)CC1 ZINC001173221938 777054285 /nfs/dbraw/zinc/05/42/85/777054285.db2.gz NOYHUXCRNYOVNZ-AWEZNQCLSA-N 1 1 307.394 1.526 20 5 DDBDMO Cc1ccnc(NCCN(C)C(=O)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001101657613 777352571 /nfs/dbraw/zinc/35/25/71/777352571.db2.gz GQXKHOYIYPKXHC-UHFFFAOYSA-N 1 1 323.397 1.509 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001101756614 777480111 /nfs/dbraw/zinc/48/01/11/777480111.db2.gz GEHHHTBVTZSAHY-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001176556451 778180280 /nfs/dbraw/zinc/18/02/80/778180280.db2.gz YDQDVIGRLOOVNS-NOLJZWGESA-N 1 1 319.361 1.216 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001178707908 779153959 /nfs/dbraw/zinc/15/39/59/779153959.db2.gz BNOWLZIDSRBKLY-ZDUSSCGKSA-N 1 1 307.350 1.673 20 5 DDBDMO Cc1nc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC001119342776 781413347 /nfs/dbraw/zinc/41/33/47/781413347.db2.gz LAYZBZHCMZPXDL-LLVKDONJSA-N 1 1 321.381 1.383 20 5 DDBDMO O=C(NCC1([NH2+]CC2CCCCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001273084398 847886047 /nfs/dbraw/zinc/88/60/47/847886047.db2.gz MWIUUEMNDCVMDI-ZIAGYGMSSA-N 1 1 309.410 1.860 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)C1 ZINC001328033867 862648725 /nfs/dbraw/zinc/64/87/25/862648725.db2.gz YFRXEIBYHAXHHW-PHIMTYICSA-N 1 1 324.337 1.643 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)no1 ZINC001141767477 860934546 /nfs/dbraw/zinc/93/45/46/860934546.db2.gz LVEBSRUMNOXNKG-UHFFFAOYSA-N 1 1 305.294 1.479 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001225450795 881841960 /nfs/dbraw/zinc/84/19/60/881841960.db2.gz LHKJGWWMKUDHLV-NSHDSACASA-N 1 1 317.301 1.972 20 5 DDBDMO COc1nc(-n2cc(CC[NH3+])c3cnccc32)ncc1[N+](=O)[O-] ZINC001160944743 866200831 /nfs/dbraw/zinc/20/08/31/866200831.db2.gz WUFYAEVIPSCNRN-UHFFFAOYSA-N 1 1 314.305 1.234 20 5 DDBDMO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320786416 867026847 /nfs/dbraw/zinc/02/68/47/867026847.db2.gz ONEBDZLCOODHQS-ZIAGYGMSSA-N 1 1 307.350 1.903 20 5 DDBDMO COc1c(O)ccc(CNC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001336716145 869106610 /nfs/dbraw/zinc/10/66/10/869106610.db2.gz DCLYOTDEKPCLSM-JTQLQIEISA-N 1 1 309.366 1.881 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC001336716145 869106618 /nfs/dbraw/zinc/10/66/18/869106618.db2.gz DCLYOTDEKPCLSM-JTQLQIEISA-N 1 1 309.366 1.881 20 5 DDBDMO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308730789 871525084 /nfs/dbraw/zinc/52/50/84/871525084.db2.gz WJHGVGZUGLIGOY-VIFPVBQESA-N 1 1 311.338 1.265 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001341343885 871615094 /nfs/dbraw/zinc/61/50/94/871615094.db2.gz JFYXXXOYBVLAAJ-NWANDNLSSA-N 1 1 318.377 1.734 20 5 DDBDMO CC(C)(F)C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001318096420 871743450 /nfs/dbraw/zinc/74/34/50/871743450.db2.gz MCCHPRIMOZTIDZ-UHFFFAOYSA-N 1 1 309.341 1.891 20 5 DDBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)C[C@H]1[N@H+]2C ZINC001226712418 882603539 /nfs/dbraw/zinc/60/35/39/882603539.db2.gz MLJMUDCBYIWFLM-DEQVHRJGSA-N 1 1 321.333 1.535 20 5 DDBDMO CS[C@@H]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451833 872635995 /nfs/dbraw/zinc/63/59/95/872635995.db2.gz QQCUGUIIBJOVSI-WCQYABFASA-N 1 1 311.407 1.972 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC001345940439 873566921 /nfs/dbraw/zinc/56/69/21/873566921.db2.gz CNCZQVBBXFSFMD-UHFFFAOYSA-N 1 1 306.278 1.478 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891814 874300202 /nfs/dbraw/zinc/30/02/02/874300202.db2.gz VNQDRCAGKMQEMJ-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891814 874300209 /nfs/dbraw/zinc/30/02/09/874300209.db2.gz VNQDRCAGKMQEMJ-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001350473182 875710893 /nfs/dbraw/zinc/71/08/93/875710893.db2.gz AERZGPSNDQPXIO-LLVKDONJSA-N 1 1 317.349 1.888 20 5 DDBDMO O=[N+]([O-])c1cnc(O[C@H]2CCc3[nH+]ccn3C2)c2[nH]cnc21 ZINC001227692488 883136287 /nfs/dbraw/zinc/13/62/87/883136287.db2.gz YZVYWTBEEHMSRK-QMMMGPOBSA-N 1 1 300.278 1.456 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233576670 887122503 /nfs/dbraw/zinc/12/25/03/887122503.db2.gz YLSNELVMFCXEBZ-KDDOJWQBSA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cccc([N+](=O)[O-])c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233576670 887122508 /nfs/dbraw/zinc/12/25/08/887122508.db2.gz YLSNELVMFCXEBZ-KDDOJWQBSA-N 1 1 321.289 1.686 20 5 DDBDMO COC(=O)[C@@]1(F)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596394 896520265 /nfs/dbraw/zinc/52/02/65/896520265.db2.gz CXYQEQFQJWGSPV-DZGCQCFKSA-N 1 1 308.309 1.649 20 5 DDBDMO COC(=O)[C@@]1(F)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596394 896520273 /nfs/dbraw/zinc/52/02/73/896520273.db2.gz CXYQEQFQJWGSPV-DZGCQCFKSA-N 1 1 308.309 1.649 20 5 DDBDMO COCCN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592937 896521178 /nfs/dbraw/zinc/52/11/78/896521178.db2.gz HGOASBWURAMGOY-MRXNPFEDSA-N 1 1 305.378 1.326 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000081792353 192323824 /nfs/dbraw/zinc/32/38/24/192323824.db2.gz VZFRNUYBOGTUJX-LBPRGKRZSA-N 1 1 320.393 1.899 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000248994361 282125255 /nfs/dbraw/zinc/12/52/55/282125255.db2.gz XTJXPORVIIWHPV-UXIGCNINSA-N 1 1 310.350 1.037 20 5 DDBDMO CC[C@H](CO)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000295812139 529382961 /nfs/dbraw/zinc/38/29/61/529382961.db2.gz WZVIFAQIMGZSAK-LLVKDONJSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000295812139 529382962 /nfs/dbraw/zinc/38/29/62/529382962.db2.gz WZVIFAQIMGZSAK-LLVKDONJSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452067095 231288930 /nfs/dbraw/zinc/28/89/30/231288930.db2.gz LWLHJQPXAYUXRN-SMDDNHRTSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452067095 231288933 /nfs/dbraw/zinc/28/89/33/231288933.db2.gz LWLHJQPXAYUXRN-SMDDNHRTSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452395050 231376049 /nfs/dbraw/zinc/37/60/49/231376049.db2.gz VZJZPJYSFNBUNV-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000090552771 185302723 /nfs/dbraw/zinc/30/27/23/185302723.db2.gz BWRJNKKFBHSNNV-TZMCWYRMSA-N 1 1 307.350 1.257 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000299455272 529790153 /nfs/dbraw/zinc/79/01/53/529790153.db2.gz VFAFJPDOBZYZEZ-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000299455272 529790154 /nfs/dbraw/zinc/79/01/54/529790154.db2.gz VFAFJPDOBZYZEZ-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO CCCN(CC[NH+]1CCCC1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000286648817 219103604 /nfs/dbraw/zinc/10/36/04/219103604.db2.gz DNIUPMPBZBKPEE-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267258390 282305614 /nfs/dbraw/zinc/30/56/14/282305614.db2.gz NHUPRCWRMZDGHF-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO C[N@H+](CCCCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000276449391 282323927 /nfs/dbraw/zinc/32/39/27/282323927.db2.gz VQQVRLONCQPATB-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[N@@H+](CCCCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000276449391 282323928 /nfs/dbraw/zinc/32/39/28/282323928.db2.gz VQQVRLONCQPATB-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305655406 282398576 /nfs/dbraw/zinc/39/85/76/282398576.db2.gz PFCXZYMTTOADHT-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305655406 282398580 /nfs/dbraw/zinc/39/85/80/282398580.db2.gz PFCXZYMTTOADHT-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000358330240 299122710 /nfs/dbraw/zinc/12/27/10/299122710.db2.gz OWSNRVJOWXNIJJ-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287096634 219310677 /nfs/dbraw/zinc/31/06/77/219310677.db2.gz YZSKYRPDTZJVRU-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287096634 219310680 /nfs/dbraw/zinc/31/06/80/219310680.db2.gz YZSKYRPDTZJVRU-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000617352616 363067201 /nfs/dbraw/zinc/06/72/01/363067201.db2.gz DPBMKORTCROPSF-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H]1CSCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000172590331 198118991 /nfs/dbraw/zinc/11/89/91/198118991.db2.gz DRLUAKVRTAVZJX-YPMHNXCESA-N 1 1 312.391 1.772 20 5 DDBDMO CCc1ccc(C(=O)NCC[N@@H+](C)CCCOC)cc1[N+](=O)[O-] ZINC000174286952 198315503 /nfs/dbraw/zinc/31/55/03/198315503.db2.gz ZSNDBMWMPXMBQT-UHFFFAOYSA-N 1 1 323.393 1.855 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000174632177 198362965 /nfs/dbraw/zinc/36/29/65/198362965.db2.gz OOXWIUOCAOPLPH-NWDGAFQWSA-N 1 1 304.350 1.486 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3sccc3C2)c1 ZINC000075718574 353378147 /nfs/dbraw/zinc/37/81/47/353378147.db2.gz ATDQLKUIRBZFFP-ZDUSSCGKSA-N 1 1 322.390 1.662 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000174809300 198387656 /nfs/dbraw/zinc/38/76/56/198387656.db2.gz RCDXYNRODRTKOP-ZDUSSCGKSA-N 1 1 318.333 1.563 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930603 353783408 /nfs/dbraw/zinc/78/34/08/353783408.db2.gz XHYRNOWWRRLCJY-JQWIXIFHSA-N 1 1 307.350 1.287 20 5 DDBDMO Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154979082 354210389 /nfs/dbraw/zinc/21/03/89/354210389.db2.gz RGENMQFYFUQVRX-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1c(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154979082 354210391 /nfs/dbraw/zinc/21/03/91/354210391.db2.gz RGENMQFYFUQVRX-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280738395 354423816 /nfs/dbraw/zinc/42/38/16/354423816.db2.gz LZYSRDOEPPJAEB-OAHLLOKOSA-N 1 1 307.350 1.561 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586801863 354868099 /nfs/dbraw/zinc/86/80/99/354868099.db2.gz XVBVFEXILPNFQE-GFCCVEGCSA-N 1 1 301.306 1.234 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586801863 354868103 /nfs/dbraw/zinc/86/81/03/354868103.db2.gz XVBVFEXILPNFQE-GFCCVEGCSA-N 1 1 301.306 1.234 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861857 354944380 /nfs/dbraw/zinc/94/43/80/354944380.db2.gz VSYGJQZVQCHZQS-NWDGAFQWSA-N 1 1 323.324 1.015 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863023 354944556 /nfs/dbraw/zinc/94/45/56/354944556.db2.gz NYGMJSNDNLUBLN-KGLIPLIRSA-N 1 1 319.361 1.184 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000588966441 354952677 /nfs/dbraw/zinc/95/26/77/354952677.db2.gz ZIMUGFGVIKAJEX-IUODEOHRSA-N 1 1 310.350 1.039 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403648 355085700 /nfs/dbraw/zinc/08/57/00/355085700.db2.gz LLZRDAJUGYRHRW-NXEZZACHSA-N 1 1 309.370 1.606 20 5 DDBDMO COc1cccc2c1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000590759751 355169351 /nfs/dbraw/zinc/16/93/51/355169351.db2.gz JSBWMEDYJVTWJU-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000590970138 355225986 /nfs/dbraw/zinc/22/59/86/355225986.db2.gz FIFSYNUHPOIHCU-HNNXBMFYSA-N 1 1 310.350 1.183 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591083758 355245671 /nfs/dbraw/zinc/24/56/71/355245671.db2.gz DPLHDZOLGYCNDL-ARLBYUKCSA-N 1 1 315.373 1.861 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000591514540 355322801 /nfs/dbraw/zinc/32/28/01/355322801.db2.gz GYBHRKWCWKJYFK-DOMZBBRYSA-N 1 1 303.362 1.988 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000592999033 355765749 /nfs/dbraw/zinc/76/57/49/355765749.db2.gz JCBGQEODUPWHGJ-ZDUSSCGKSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000592999033 355765753 /nfs/dbraw/zinc/76/57/53/355765753.db2.gz JCBGQEODUPWHGJ-ZDUSSCGKSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000593019057 355771335 /nfs/dbraw/zinc/77/13/35/355771335.db2.gz DGQLKQOJIFOPFB-NWDGAFQWSA-N 1 1 321.377 1.906 20 5 DDBDMO Cc1c(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593136361 355809659 /nfs/dbraw/zinc/80/96/59/355809659.db2.gz QVMNQFURJHZPJK-GFCCVEGCSA-N 1 1 320.349 1.186 20 5 DDBDMO Cc1c(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593136361 355809662 /nfs/dbraw/zinc/80/96/62/355809662.db2.gz QVMNQFURJHZPJK-GFCCVEGCSA-N 1 1 320.349 1.186 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593499001 355904890 /nfs/dbraw/zinc/90/48/90/355904890.db2.gz KPIBXVOZMQALDS-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593504523 355906262 /nfs/dbraw/zinc/90/62/62/355906262.db2.gz OPANSOWKSDKZJT-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594604121 356262570 /nfs/dbraw/zinc/26/25/70/356262570.db2.gz QVHCDSNDCRILKO-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO O=C1NCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000594959226 356365140 /nfs/dbraw/zinc/36/51/40/356365140.db2.gz AXSOJNGJQDEEOG-ZDUSSCGKSA-N 1 1 301.302 1.833 20 5 DDBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406329 356481572 /nfs/dbraw/zinc/48/15/72/356481572.db2.gz BXHCMZIXAODAHS-GHMZBOCLSA-N 1 1 308.338 1.382 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(COC3)C2)c2c(c1)COCO2 ZINC000595833233 356670599 /nfs/dbraw/zinc/67/05/99/356670599.db2.gz BOQAXTHVMPBRQI-UHFFFAOYSA-N 1 1 306.318 1.684 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(COC3)C2)c2c(c1)COCO2 ZINC000595833233 356670604 /nfs/dbraw/zinc/67/06/04/356670604.db2.gz BOQAXTHVMPBRQI-UHFFFAOYSA-N 1 1 306.318 1.684 20 5 DDBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595851417 356677038 /nfs/dbraw/zinc/67/70/38/356677038.db2.gz SCYNLXNFNMKQAV-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO C[N@H+](CC1=CCSC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595888444 356692714 /nfs/dbraw/zinc/69/27/14/356692714.db2.gz MCQQTXVCSRJBFU-CYBMUJFWSA-N 1 1 324.402 1.940 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000596119883 356780282 /nfs/dbraw/zinc/78/02/82/356780282.db2.gz DMEBYVKOUUGEAA-LBPRGKRZSA-N 1 1 304.350 1.367 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596173925 356801545 /nfs/dbraw/zinc/80/15/45/356801545.db2.gz CBCLDTXAPKKFDQ-JTQLQIEISA-N 1 1 315.333 1.421 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)CO1 ZINC000596432128 356877924 /nfs/dbraw/zinc/87/79/24/356877924.db2.gz QMHVUIHBEFDTJX-GHMZBOCLSA-N 1 1 322.365 1.215 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)CO1 ZINC000596432128 356877927 /nfs/dbraw/zinc/87/79/27/356877927.db2.gz QMHVUIHBEFDTJX-GHMZBOCLSA-N 1 1 322.365 1.215 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596336036 356860105 /nfs/dbraw/zinc/86/01/05/356860105.db2.gz KZGKBECPQAIGHK-NSHDSACASA-N 1 1 306.366 1.978 20 5 DDBDMO Cc1ccnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596537459 356910554 /nfs/dbraw/zinc/91/05/54/356910554.db2.gz GPAZZBLEXFKPBT-ZDUSSCGKSA-N 1 1 306.366 1.334 20 5 DDBDMO COc1cccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596540543 356911384 /nfs/dbraw/zinc/91/13/84/356911384.db2.gz UISGTZUNGIDHKQ-CYBMUJFWSA-N 1 1 321.377 1.639 20 5 DDBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598043207 357440835 /nfs/dbraw/zinc/44/08/35/357440835.db2.gz RYFBXXWLUQISPZ-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597944573 357394082 /nfs/dbraw/zinc/39/40/82/357394082.db2.gz FPZDIILZZCGZOR-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599790198 358059434 /nfs/dbraw/zinc/05/94/34/358059434.db2.gz BEESUKBQMODZKE-LBPRGKRZSA-N 1 1 322.365 1.400 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3COCC[NH2+]3)o2)c1 ZINC000600678507 358280495 /nfs/dbraw/zinc/28/04/95/358280495.db2.gz RPUWFGFAXTYVFA-ZDUSSCGKSA-N 1 1 317.345 1.933 20 5 DDBDMO COC(C[N@@H+](CCCO)Cc1cccc([N+](=O)[O-])c1C)OC ZINC000180637606 199188833 /nfs/dbraw/zinc/18/88/33/199188833.db2.gz NOSNEAKQTAFIEM-UHFFFAOYSA-N 1 1 312.366 1.707 20 5 DDBDMO CC(C)NC(=O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601103237 358402572 /nfs/dbraw/zinc/40/25/72/358402572.db2.gz QWYDSGWTGALUQL-UHFFFAOYSA-N 1 1 302.334 1.892 20 5 DDBDMO C[C@H](CN1CCOCC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104659 358403662 /nfs/dbraw/zinc/40/36/62/358403662.db2.gz CFYVGHGTOUPMTM-GFCCVEGCSA-N 1 1 316.361 1.698 20 5 DDBDMO C[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000601130818 358415271 /nfs/dbraw/zinc/41/52/71/358415271.db2.gz CHCBZVWZOUYXHE-BDJLRTHQSA-N 1 1 316.361 1.696 20 5 DDBDMO C[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000601130818 358415275 /nfs/dbraw/zinc/41/52/75/358415275.db2.gz CHCBZVWZOUYXHE-BDJLRTHQSA-N 1 1 316.361 1.696 20 5 DDBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCS1(=O)=O ZINC000601144583 358419378 /nfs/dbraw/zinc/41/93/78/358419378.db2.gz VFJZELDAIYPJRY-JTQLQIEISA-N 1 1 321.358 1.766 20 5 DDBDMO CCn1cncc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149179 358422594 /nfs/dbraw/zinc/42/25/94/358422594.db2.gz KIHUICBJLRHHAN-HNNXBMFYSA-N 1 1 304.350 1.809 20 5 DDBDMO CC(C)(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)OCCO ZINC000601166177 358430064 /nfs/dbraw/zinc/43/00/64/358430064.db2.gz KRWOIYZWRFZYHO-UHFFFAOYSA-N 1 1 305.334 1.764 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000601186947 358439463 /nfs/dbraw/zinc/43/94/63/358439463.db2.gz HROASIYTTGZWSJ-QWHCGFSZSA-N 1 1 314.345 1.398 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601596467 358617627 /nfs/dbraw/zinc/61/76/27/358617627.db2.gz ONZFQMSWXOKCIQ-HNNXBMFYSA-N 1 1 307.325 1.902 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776161 358690741 /nfs/dbraw/zinc/69/07/41/358690741.db2.gz HICOPDMTSNUAEB-BLLLJJGKSA-N 1 1 321.377 1.260 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975494 358761901 /nfs/dbraw/zinc/76/19/01/358761901.db2.gz WBJSKTQIJPFUBM-UTUOFQBUSA-N 1 1 305.334 1.500 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602071846 358801710 /nfs/dbraw/zinc/80/17/10/358801710.db2.gz GYVVJBHJHLDNGZ-ZDUSSCGKSA-N 1 1 307.350 1.704 20 5 DDBDMO Cn1cc(CN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602426183 358968333 /nfs/dbraw/zinc/96/83/33/358968333.db2.gz YQRPENJXBVLTEB-UHFFFAOYSA-N 1 1 315.377 1.646 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000602782542 359187308 /nfs/dbraw/zinc/18/73/08/359187308.db2.gz CSJMQSHSYFHWGH-KGLIPLIRSA-N 1 1 307.398 1.516 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC000602959344 359323118 /nfs/dbraw/zinc/32/31/18/359323118.db2.gz TWYGWNMNTCBJJS-UHFFFAOYSA-N 1 1 307.354 1.280 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC[N@@H+](C)C1CC1 ZINC000186742887 200001873 /nfs/dbraw/zinc/00/18/73/200001873.db2.gz ZXRDWHAKFCYECK-LBPRGKRZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186939485 200034695 /nfs/dbraw/zinc/03/46/95/200034695.db2.gz HGYMJYAGONHQEE-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO C[N@H+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603431882 359636705 /nfs/dbraw/zinc/63/67/05/359636705.db2.gz HUXPYFIJIBPGLU-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000187194760 200075105 /nfs/dbraw/zinc/07/51/05/200075105.db2.gz DMBWAIRPECDWNB-PWSUYJOCSA-N 1 1 320.349 1.252 20 5 DDBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609631596 360339821 /nfs/dbraw/zinc/33/98/21/360339821.db2.gz DQTCOJWHSLLRIN-LLVKDONJSA-N 1 1 307.350 1.552 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)CO ZINC000609894816 360362797 /nfs/dbraw/zinc/36/27/97/360362797.db2.gz AJXNLZKNPSUHHP-UHFFFAOYSA-N 1 1 307.350 1.187 20 5 DDBDMO O=C(C[N@@H+](CCCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610132923 360385292 /nfs/dbraw/zinc/38/52/92/360385292.db2.gz FOUTXCCCAHKLNS-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@H+](CCCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610132923 360385297 /nfs/dbraw/zinc/38/52/97/360385297.db2.gz FOUTXCCCAHKLNS-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000610392466 360424858 /nfs/dbraw/zinc/42/48/58/360424858.db2.gz XWJWSAXKNXKDKS-UHFFFAOYSA-N 1 1 306.366 1.607 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762767 360531387 /nfs/dbraw/zinc/53/13/87/360531387.db2.gz UDRNEYHHSZMTFO-GXTWGEPZSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762767 360531392 /nfs/dbraw/zinc/53/13/92/360531392.db2.gz UDRNEYHHSZMTFO-GXTWGEPZSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891185 360565639 /nfs/dbraw/zinc/56/56/39/360565639.db2.gz RWRYTJQYXHWALM-UHFFFAOYSA-N 1 1 305.334 1.657 20 5 DDBDMO COCC1([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178927 360650208 /nfs/dbraw/zinc/65/02/08/360650208.db2.gz TXBYYQACUQCZKY-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611088151 360619618 /nfs/dbraw/zinc/61/96/18/360619618.db2.gz FRUKRSVEBPPYHP-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611088151 360619623 /nfs/dbraw/zinc/61/96/23/360619623.db2.gz FRUKRSVEBPPYHP-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO CCO[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030395 360894251 /nfs/dbraw/zinc/89/42/51/360894251.db2.gz UMSDEWJTKNQMKR-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193822763 201128892 /nfs/dbraw/zinc/12/88/92/201128892.db2.gz MPSIGODNSLCQKD-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193822763 201128895 /nfs/dbraw/zinc/12/88/95/201128895.db2.gz MPSIGODNSLCQKD-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000619537147 364052492 /nfs/dbraw/zinc/05/24/92/364052492.db2.gz ZGUXZJMKMIUAGR-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000261729549 203103701 /nfs/dbraw/zinc/10/37/01/203103701.db2.gz HOENHBNUUQHUBQ-ONGXEEELSA-N 1 1 317.349 1.671 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264683935 204077335 /nfs/dbraw/zinc/07/73/35/204077335.db2.gz LFYNKGWMZAZFTH-AWEZNQCLSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274885986 212010390 /nfs/dbraw/zinc/01/03/90/212010390.db2.gz ORXOYJQCMHZSAQ-SNVBAGLBSA-N 1 1 300.318 1.797 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274885986 212010391 /nfs/dbraw/zinc/01/03/91/212010391.db2.gz ORXOYJQCMHZSAQ-SNVBAGLBSA-N 1 1 300.318 1.797 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccco1 ZINC000282529916 217065416 /nfs/dbraw/zinc/06/54/16/217065416.db2.gz UXMPSEWYAHDYCA-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccco1 ZINC000282529916 217065420 /nfs/dbraw/zinc/06/54/20/217065420.db2.gz UXMPSEWYAHDYCA-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000265968213 205006821 /nfs/dbraw/zinc/00/68/21/205006821.db2.gz AGORJCQPYXXREN-UHFFFAOYSA-N 1 1 322.394 1.460 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266504462 205394832 /nfs/dbraw/zinc/39/48/32/205394832.db2.gz AGTQWGMXVJIRTA-MRXNPFEDSA-N 1 1 316.361 1.251 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566970904 304190753 /nfs/dbraw/zinc/19/07/53/304190753.db2.gz FTBPAXBKLFNIOO-ZFWWWQNUSA-N 1 1 321.377 1.648 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408555 218015263 /nfs/dbraw/zinc/01/52/63/218015263.db2.gz NUHFCYSEFFQDDC-OQPBUACISA-N 1 1 322.340 1.529 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000159481162 197357176 /nfs/dbraw/zinc/35/71/76/197357176.db2.gz OVGNKEVTBYGJGD-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000159481162 197357178 /nfs/dbraw/zinc/35/71/78/197357178.db2.gz OVGNKEVTBYGJGD-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCCC[C@H]1C ZINC000339003573 250241443 /nfs/dbraw/zinc/24/14/43/250241443.db2.gz OCJKYRYAEGHHQS-MNOVXSKESA-N 1 1 321.381 1.764 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285333977 218385639 /nfs/dbraw/zinc/38/56/39/218385639.db2.gz OCIHLDHHLDHTFN-MRXNPFEDSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285333977 218385642 /nfs/dbraw/zinc/38/56/42/218385642.db2.gz OCIHLDHHLDHTFN-MRXNPFEDSA-N 1 1 322.361 1.855 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000340407408 251051198 /nfs/dbraw/zinc/05/11/98/251051198.db2.gz KSMBDZAHCOCBFD-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000340472095 251072501 /nfs/dbraw/zinc/07/25/01/251072501.db2.gz AOIUPGQMHVSXAJ-LLVKDONJSA-N 1 1 310.354 1.010 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](CC(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000063483186 184282966 /nfs/dbraw/zinc/28/29/66/184282966.db2.gz LUKYRMAEUBGOKA-UHFFFAOYSA-N 1 1 322.365 1.428 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)CC1 ZINC000065955329 184383604 /nfs/dbraw/zinc/38/36/04/184383604.db2.gz WZKPUVKNSDKKCU-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000272969445 210352219 /nfs/dbraw/zinc/35/22/19/210352219.db2.gz BETPXVWPUCPMJR-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547221 533094834 /nfs/dbraw/zinc/09/48/34/533094834.db2.gz KOXZQPCGCBWWTQ-BBRMVZONSA-N 1 1 322.361 1.698 20 5 DDBDMO COC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035171 533130230 /nfs/dbraw/zinc/13/02/30/533130230.db2.gz GDRVOODIDLLGDF-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC000451199594 533138063 /nfs/dbraw/zinc/13/80/63/533138063.db2.gz RGIFCSRBVPCBFO-SNVBAGLBSA-N 1 1 311.313 1.976 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352661575 285205404 /nfs/dbraw/zinc/20/54/04/285205404.db2.gz UHYODYGAFIUJQW-DDTOSNHZSA-N 1 1 307.350 1.767 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155115114 197023283 /nfs/dbraw/zinc/02/32/83/197023283.db2.gz OYFPSVZFWGBIMF-PHIMTYICSA-N 1 1 309.370 1.041 20 5 DDBDMO COc1cc(C[N@H+](C)CCNC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000352782436 285297553 /nfs/dbraw/zinc/29/75/53/285297553.db2.gz DOELAEAHAGLPDP-UHFFFAOYSA-N 1 1 310.354 1.306 20 5 DDBDMO COc1cc(C[N@@H+](C)CCNC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000352782436 285297554 /nfs/dbraw/zinc/29/75/54/285297554.db2.gz DOELAEAHAGLPDP-UHFFFAOYSA-N 1 1 310.354 1.306 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452072014 533673010 /nfs/dbraw/zinc/67/30/10/533673010.db2.gz TWVVAQHRBWQYIP-JHJVBQTASA-N 1 1 310.350 1.037 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000090460474 407168267 /nfs/dbraw/zinc/16/82/67/407168267.db2.gz IOUNPRDBBAKCEV-CABCVRRESA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000090460474 407168269 /nfs/dbraw/zinc/16/82/69/407168269.db2.gz IOUNPRDBBAKCEV-CABCVRRESA-N 1 1 319.361 1.578 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000057701195 407217274 /nfs/dbraw/zinc/21/72/74/407217274.db2.gz QLMTWQWNYPKIAH-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412549 407273418 /nfs/dbraw/zinc/27/34/18/407273418.db2.gz NSHJEQRPDLPIMG-CQSZACIVSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000185758368 407493658 /nfs/dbraw/zinc/49/36/58/407493658.db2.gz BZQBKAUBQQRVSM-JTQLQIEISA-N 1 1 313.379 1.356 20 5 DDBDMO COCC1=CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000185895755 407534043 /nfs/dbraw/zinc/53/40/43/407534043.db2.gz BWEWPABRWIXSIA-UHFFFAOYSA-N 1 1 305.334 1.472 20 5 DDBDMO COCC1=CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000185895755 407534045 /nfs/dbraw/zinc/53/40/45/407534045.db2.gz BWEWPABRWIXSIA-UHFFFAOYSA-N 1 1 305.334 1.472 20 5 DDBDMO C[C@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261783990 407613908 /nfs/dbraw/zinc/61/39/08/407613908.db2.gz XCTOCCKWCFBMTC-DTWKUNHWSA-N 1 1 317.342 1.153 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266758725 407625899 /nfs/dbraw/zinc/62/58/99/407625899.db2.gz GUPCUFICYSYZNT-AWEZNQCLSA-N 1 1 320.393 1.921 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115436590 407681391 /nfs/dbraw/zinc/68/13/91/407681391.db2.gz DEFCFJGWPWKJDD-ZDUSSCGKSA-N 1 1 323.397 1.290 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000179023473 407695819 /nfs/dbraw/zinc/69/58/19/407695819.db2.gz VTTYTIBOJXOLBU-UHFFFAOYSA-N 1 1 320.353 1.548 20 5 DDBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000118106460 407890548 /nfs/dbraw/zinc/89/05/48/407890548.db2.gz TUJBYEUFCHRZBQ-LLVKDONJSA-N 1 1 320.349 1.052 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866036 407957345 /nfs/dbraw/zinc/95/73/45/407957345.db2.gz KPSHJFXDYIEGPH-NEPJUHHUSA-N 1 1 321.381 1.391 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866036 407957349 /nfs/dbraw/zinc/95/73/49/407957349.db2.gz KPSHJFXDYIEGPH-NEPJUHHUSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245433119 407980113 /nfs/dbraw/zinc/98/01/13/407980113.db2.gz BROSCZJIYGSURI-VXGBXAGGSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245433119 407980118 /nfs/dbraw/zinc/98/01/18/407980118.db2.gz BROSCZJIYGSURI-VXGBXAGGSA-N 1 1 321.381 1.391 20 5 DDBDMO CCNC(=O)C[N@@H+]1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268158473 407919640 /nfs/dbraw/zinc/91/96/40/407919640.db2.gz SRGXMGMPZKKUCI-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO CCNC(=O)C[N@H+]1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268158473 407919645 /nfs/dbraw/zinc/91/96/45/407919645.db2.gz SRGXMGMPZKKUCI-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000153896321 407927218 /nfs/dbraw/zinc/92/72/18/407927218.db2.gz AJQDQOXVUQVKEB-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118751823 407940407 /nfs/dbraw/zinc/94/04/07/407940407.db2.gz FOIHHSIMDJBLPM-AWEZNQCLSA-N 1 1 322.365 1.515 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024085 408025236 /nfs/dbraw/zinc/02/52/36/408025236.db2.gz LNIAOFZVFUROPF-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024085 408025240 /nfs/dbraw/zinc/02/52/40/408025240.db2.gz LNIAOFZVFUROPF-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000175068268 408042182 /nfs/dbraw/zinc/04/21/82/408042182.db2.gz JYSINGWBFNHPAC-NSHDSACASA-N 1 1 307.350 1.691 20 5 DDBDMO C[C@@H](CCO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272564004 407986326 /nfs/dbraw/zinc/98/63/26/407986326.db2.gz UQLKYNDKOSPJNU-SMDDNHRTSA-N 1 1 304.350 1.778 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272577430 407991274 /nfs/dbraw/zinc/99/12/74/407991274.db2.gz GJQORMICQLVFOZ-WFASDCNBSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000245765076 408065012 /nfs/dbraw/zinc/06/50/12/408065012.db2.gz JINJVWZMNLFTIV-RKDXNWHRSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000245765076 408065017 /nfs/dbraw/zinc/06/50/17/408065017.db2.gz JINJVWZMNLFTIV-RKDXNWHRSA-N 1 1 315.757 1.888 20 5 DDBDMO CSCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182024215 408066143 /nfs/dbraw/zinc/06/61/43/408066143.db2.gz KHFYWDBEZQWPAQ-LLVKDONJSA-N 1 1 300.380 1.629 20 5 DDBDMO CO[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246039183 408126585 /nfs/dbraw/zinc/12/65/85/408126585.db2.gz QTDCVUWOSYGQTH-CABCVRRESA-N 1 1 319.361 1.811 20 5 DDBDMO CO[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246039183 408126590 /nfs/dbraw/zinc/12/65/90/408126590.db2.gz QTDCVUWOSYGQTH-CABCVRRESA-N 1 1 319.361 1.811 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246310950 408216877 /nfs/dbraw/zinc/21/68/77/408216877.db2.gz ZIRMKDXYAXURSF-DZGCQCFKSA-N 1 1 324.377 1.693 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190840154 408326586 /nfs/dbraw/zinc/32/65/86/408326586.db2.gz SVIYDAWWXKFAQT-NEPJUHHUSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190840154 408326588 /nfs/dbraw/zinc/32/65/88/408326588.db2.gz SVIYDAWWXKFAQT-NEPJUHHUSA-N 1 1 307.350 1.402 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269399816 408296258 /nfs/dbraw/zinc/29/62/58/408296258.db2.gz URUFPLWWCPLIHL-JTQLQIEISA-N 1 1 300.746 1.776 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000131260110 162009552 /nfs/dbraw/zinc/00/95/52/162009552.db2.gz QUWXKTNIJFDGNH-LBPRGKRZSA-N 1 1 317.349 1.359 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733332 162085293 /nfs/dbraw/zinc/08/52/93/162085293.db2.gz OGUKWXBWHYYDBV-ZDUSSCGKSA-N 1 1 307.398 1.740 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000269547495 408348704 /nfs/dbraw/zinc/34/87/04/408348704.db2.gz XGDZTEFHWIJXDI-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO CN1CC[NH+](CCCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269650615 408374498 /nfs/dbraw/zinc/37/44/98/408374498.db2.gz QNCQVNOPFGGTFZ-UHFFFAOYSA-N 1 1 314.336 1.922 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274574854 408456117 /nfs/dbraw/zinc/45/61/17/408456117.db2.gz GIXBHDJVRZCXGW-MRXNPFEDSA-N 1 1 322.361 1.873 20 5 DDBDMO CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000264171601 408390327 /nfs/dbraw/zinc/39/03/27/408390327.db2.gz VZSPDFMNNAGFSA-UHFFFAOYSA-N 1 1 311.313 1.277 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000177007233 408495229 /nfs/dbraw/zinc/49/52/29/408495229.db2.gz KDVJCBOFNGHVND-NWDGAFQWSA-N 1 1 318.377 1.794 20 5 DDBDMO CCC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248070135 408530463 /nfs/dbraw/zinc/53/04/63/408530463.db2.gz QFYKMKQBPCUQHZ-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248070135 408530470 /nfs/dbraw/zinc/53/04/70/408530470.db2.gz QFYKMKQBPCUQHZ-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177213515 408553040 /nfs/dbraw/zinc/55/30/40/408553040.db2.gz CNXGJJXMYGKGBZ-CMPLNLGQSA-N 1 1 321.381 1.231 20 5 DDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000184290857 408585527 /nfs/dbraw/zinc/58/55/27/408585527.db2.gz YYSXZEVXPWQYQL-CYBMUJFWSA-N 1 1 320.393 1.351 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCOCC1 ZINC000192889396 408666384 /nfs/dbraw/zinc/66/63/84/408666384.db2.gz HVQNTVKRRNWEGY-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251933782 408791382 /nfs/dbraw/zinc/79/13/82/408791382.db2.gz UBUONCFZSBKOJG-XNRPHZJLSA-N 1 1 324.377 1.691 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000168307202 408818507 /nfs/dbraw/zinc/81/85/07/408818507.db2.gz NDYSOTJPMMEURY-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO COCC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000280920249 408859583 /nfs/dbraw/zinc/85/95/83/408859583.db2.gz GHFVIYNAUYPLGB-UHFFFAOYSA-N 1 1 311.367 1.072 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000281618133 408897442 /nfs/dbraw/zinc/89/74/42/408897442.db2.gz BWVQROOECJHRRG-JTQLQIEISA-N 1 1 309.370 1.471 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000189460053 163101885 /nfs/dbraw/zinc/10/18/85/163101885.db2.gz ZXSDTJMDVLHYGU-NSHDSACASA-N 1 1 313.423 1.933 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1(CO)CCC1 ZINC000292185609 408997154 /nfs/dbraw/zinc/99/71/54/408997154.db2.gz QXISRPKBQWUZMH-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000292185609 408997160 /nfs/dbraw/zinc/99/71/60/408997160.db2.gz QXISRPKBQWUZMH-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000287975351 409124840 /nfs/dbraw/zinc/12/48/40/409124840.db2.gz RBQGCZDGMXWOIK-GFCCVEGCSA-N 1 1 320.393 1.845 20 5 DDBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293848462 409192680 /nfs/dbraw/zinc/19/26/80/409192680.db2.gz AHHJHJISCMAZBT-TXEJJXNPSA-N 1 1 307.350 1.525 20 5 DDBDMO NC(=O)[C@@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000314841874 164016914 /nfs/dbraw/zinc/01/69/14/164016914.db2.gz UKBCLNXSZNBWSO-CYBMUJFWSA-N 1 1 313.741 1.060 20 5 DDBDMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000314841874 164016916 /nfs/dbraw/zinc/01/69/16/164016916.db2.gz UKBCLNXSZNBWSO-CYBMUJFWSA-N 1 1 313.741 1.060 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295389147 409462243 /nfs/dbraw/zinc/46/22/43/409462243.db2.gz KZODMTYQMSYXRX-PMPSAXMXSA-N 1 1 321.377 1.033 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC(O)C1 ZINC000353484995 164123526 /nfs/dbraw/zinc/12/35/26/164123526.db2.gz LQDHHAMEMBNCQI-UHFFFAOYSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000408029607 164203320 /nfs/dbraw/zinc/20/33/20/164203320.db2.gz UWLQOFPMZNTXFY-KGLIPLIRSA-N 1 1 304.350 1.655 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408069489 164216532 /nfs/dbraw/zinc/21/65/32/164216532.db2.gz BVJUOJIYYHSDGS-QWRGUYRKSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408069489 164216535 /nfs/dbraw/zinc/21/65/35/164216535.db2.gz BVJUOJIYYHSDGS-QWRGUYRKSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000408073602 164218778 /nfs/dbraw/zinc/21/87/78/164218778.db2.gz QSZLWEPKKSPGMY-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000408073602 164218780 /nfs/dbraw/zinc/21/87/80/164218780.db2.gz QSZLWEPKKSPGMY-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296420159 409540580 /nfs/dbraw/zinc/54/05/80/409540580.db2.gz LIWLORGAOSOLCE-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356715586 409545946 /nfs/dbraw/zinc/54/59/46/409545946.db2.gz SEZIUXJWURPXQU-GFCCVEGCSA-N 1 1 323.397 1.569 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](O)C1 ZINC000304228585 409579365 /nfs/dbraw/zinc/57/93/65/409579365.db2.gz MLYBWZAXZBQJOR-LBPRGKRZSA-N 1 1 321.333 1.350 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354008302 409595649 /nfs/dbraw/zinc/59/56/49/409595649.db2.gz SCCRHAYUKZANOH-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354147468 409695261 /nfs/dbraw/zinc/69/52/61/409695261.db2.gz DECPUABOHKDPQQ-OAHLLOKOSA-N 1 1 321.377 1.364 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835055 409644689 /nfs/dbraw/zinc/64/46/89/409644689.db2.gz BFTQUMIKABYBSH-RYUDHWBXSA-N 1 1 323.397 1.349 20 5 DDBDMO COc1cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000342630492 409773301 /nfs/dbraw/zinc/77/33/01/409773301.db2.gz FKWJIRCJPGGSPN-FVINQWEUSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)ccc1[N+](=O)[O-] ZINC000342630492 409773310 /nfs/dbraw/zinc/77/33/10/409773310.db2.gz FKWJIRCJPGGSPN-FVINQWEUSA-N 1 1 300.380 1.802 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000354419423 409840263 /nfs/dbraw/zinc/84/02/63/409840263.db2.gz XEIXMPSMGDFOJP-CYBMUJFWSA-N 1 1 323.397 1.562 20 5 DDBDMO C[C@@H]1[C@H](C)N(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000357005050 409786441 /nfs/dbraw/zinc/78/64/41/409786441.db2.gz QQQNWFUNWPLTET-IPYPFGDCSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005050 409786448 /nfs/dbraw/zinc/78/64/48/409786448.db2.gz QQQNWFUNWPLTET-IPYPFGDCSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005050 409786456 /nfs/dbraw/zinc/78/64/56/409786456.db2.gz QQQNWFUNWPLTET-IPYPFGDCSA-N 1 1 323.393 1.359 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354379690 409811019 /nfs/dbraw/zinc/81/10/19/409811019.db2.gz CHBINFKHNOOXFL-RYUDHWBXSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354513301 409911001 /nfs/dbraw/zinc/91/10/01/409911001.db2.gz OMMLFINIQRIZQO-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354513301 409911007 /nfs/dbraw/zinc/91/10/07/409911007.db2.gz OMMLFINIQRIZQO-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO Cn1c(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000332117653 409901182 /nfs/dbraw/zinc/90/11/82/409901182.db2.gz VPUAKSVLTUDCIL-UHFFFAOYSA-N 1 1 317.349 1.751 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1=O ZINC000338344860 409927552 /nfs/dbraw/zinc/92/75/52/409927552.db2.gz CSCSAPHQNFUKHQ-HNNXBMFYSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000354548073 409930032 /nfs/dbraw/zinc/93/00/32/409930032.db2.gz RRUWPZCROHOOCK-MFKMUULPSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000354548073 409930038 /nfs/dbraw/zinc/93/00/38/409930038.db2.gz RRUWPZCROHOOCK-MFKMUULPSA-N 1 1 313.379 1.356 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298270590 410162529 /nfs/dbraw/zinc/16/25/29/410162529.db2.gz GPOINSKHXWILSI-NFAWXSAZSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298270590 410162537 /nfs/dbraw/zinc/16/25/37/410162537.db2.gz GPOINSKHXWILSI-NFAWXSAZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000355202984 410376804 /nfs/dbraw/zinc/37/68/04/410376804.db2.gz CZVMIGPIUANMKN-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343460460 410469686 /nfs/dbraw/zinc/46/96/86/410469686.db2.gz RVBOVKYMYFVITK-STQMWFEESA-N 1 1 320.393 1.996 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352185437 410530203 /nfs/dbraw/zinc/53/02/03/410530203.db2.gz CJMXVBAGUNIJFI-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343612224 410569682 /nfs/dbraw/zinc/56/96/82/410569682.db2.gz VNXXGSLPKKRKBI-FZMZJTMJSA-N 1 1 306.366 1.877 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355592618 410596045 /nfs/dbraw/zinc/59/60/45/410596045.db2.gz YUMCSRBFQVGRRP-GFCCVEGCSA-N 1 1 321.381 1.344 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)O ZINC000352200656 410545041 /nfs/dbraw/zinc/54/50/41/410545041.db2.gz BFSLONUDBSZQLE-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H](C)O ZINC000352200656 410545045 /nfs/dbraw/zinc/54/50/45/410545045.db2.gz BFSLONUDBSZQLE-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000352227377 410562372 /nfs/dbraw/zinc/56/23/72/410562372.db2.gz NFVBJEKNKVRNDR-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000352227377 410562377 /nfs/dbraw/zinc/56/23/77/410562377.db2.gz NFVBJEKNKVRNDR-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO O=C(NCc1cnc[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359438983 410659921 /nfs/dbraw/zinc/65/99/21/410659921.db2.gz MBBONISYDZBYEX-UHFFFAOYSA-N 1 1 312.232 1.849 20 5 DDBDMO CCN1CC[NH+](CCCNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301302063 410697035 /nfs/dbraw/zinc/69/70/35/410697035.db2.gz VQQSPUJZJQVGBC-UHFFFAOYSA-N 1 1 310.402 1.076 20 5 DDBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000352952638 410699241 /nfs/dbraw/zinc/69/92/41/410699241.db2.gz VXJVMUKNUPRGIM-WDEREUQCSA-N 1 1 313.379 1.356 20 5 DDBDMO CCOc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301506473 410733299 /nfs/dbraw/zinc/73/32/99/410733299.db2.gz CXVKJYZEZRNNEK-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355762812 410682689 /nfs/dbraw/zinc/68/26/89/410682689.db2.gz TTZKHGGXFZLWHU-HNNXBMFYSA-N 1 1 324.333 1.103 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330534944 410756175 /nfs/dbraw/zinc/75/61/75/410756175.db2.gz RIGMPZRAQGQFKJ-GFCCVEGCSA-N 1 1 324.381 1.020 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000302464335 410844904 /nfs/dbraw/zinc/84/49/04/410844904.db2.gz VAVFUVXHVRMNHZ-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000302464335 410844912 /nfs/dbraw/zinc/84/49/12/410844912.db2.gz VAVFUVXHVRMNHZ-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330661460 410860071 /nfs/dbraw/zinc/86/00/71/410860071.db2.gz CJULUEGOVDQBKA-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150093 410864408 /nfs/dbraw/zinc/86/44/08/410864408.db2.gz HSPBMPYURKVEER-NSHDSACASA-N 1 1 309.370 1.323 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000341052804 410881585 /nfs/dbraw/zinc/88/15/85/410881585.db2.gz FXHDSUSTZANVNR-TXEJJXNPSA-N 1 1 309.370 1.170 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000330607326 410822149 /nfs/dbraw/zinc/82/21/49/410822149.db2.gz LMRNKWVMHAOSGO-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000330607326 410822155 /nfs/dbraw/zinc/82/21/55/410822155.db2.gz LMRNKWVMHAOSGO-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344127848 410973261 /nfs/dbraw/zinc/97/32/61/410973261.db2.gz KDROLZXLTLMFNA-OLZOCXBDSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344127848 410973265 /nfs/dbraw/zinc/97/32/65/410973265.db2.gz KDROLZXLTLMFNA-OLZOCXBDSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H](O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353528658 411048616 /nfs/dbraw/zinc/04/86/16/411048616.db2.gz OLRUYFITWCWUOA-SMDDNHRTSA-N 1 1 304.350 1.778 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331294211 411063066 /nfs/dbraw/zinc/06/30/66/411063066.db2.gz RHWFVLWIWJQEKD-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331294211 411063071 /nfs/dbraw/zinc/06/30/71/411063071.db2.gz RHWFVLWIWJQEKD-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201532 411015697 /nfs/dbraw/zinc/01/56/97/411015697.db2.gz QJKPRYYDDORZGF-STQMWFEESA-N 1 1 321.377 1.881 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000353489235 411024142 /nfs/dbraw/zinc/02/41/42/411024142.db2.gz OZALYEDYXVVMCU-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000353489235 411024145 /nfs/dbraw/zinc/02/41/45/411024145.db2.gz OZALYEDYXVVMCU-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331241398 411035592 /nfs/dbraw/zinc/03/55/92/411035592.db2.gz NGEDMVUONDYAIN-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331241398 411035595 /nfs/dbraw/zinc/03/55/95/411035595.db2.gz NGEDMVUONDYAIN-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331241398 411035597 /nfs/dbraw/zinc/03/55/97/411035597.db2.gz NGEDMVUONDYAIN-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356590854 411099874 /nfs/dbraw/zinc/09/98/74/411099874.db2.gz CDOYAWUZRFZCAX-SNVBAGLBSA-N 1 1 309.370 1.422 20 5 DDBDMO CCc1nn(C)c(N2CC[N@H+](CCOC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000129168553 196026015 /nfs/dbraw/zinc/02/60/15/196026015.db2.gz FUPFVHWUUHMGHF-LLVKDONJSA-N 1 1 311.386 1.048 20 5 DDBDMO CCc1nn(C)c(N2CC[N@@H+](CCOC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000129168553 196026017 /nfs/dbraw/zinc/02/60/17/196026017.db2.gz FUPFVHWUUHMGHF-LLVKDONJSA-N 1 1 311.386 1.048 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000191463023 222102378 /nfs/dbraw/zinc/10/23/78/222102378.db2.gz PMDUFURWKMGPSQ-SNVBAGLBSA-N 1 1 321.337 1.437 20 5 DDBDMO CCN1CCC([N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000375006150 418586838 /nfs/dbraw/zinc/58/68/38/418586838.db2.gz VSAAPTOAZAELGJ-UHFFFAOYSA-N 1 1 307.398 1.740 20 5 DDBDMO CC[NH+]1CCC(N(CCn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000375006150 418586840 /nfs/dbraw/zinc/58/68/40/418586840.db2.gz VSAAPTOAZAELGJ-UHFFFAOYSA-N 1 1 307.398 1.740 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375035557 418592228 /nfs/dbraw/zinc/59/22/28/418592228.db2.gz CTNFLEBQLKZOOS-NHYWBVRUSA-N 1 1 318.377 1.485 20 5 DDBDMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375385102 418631891 /nfs/dbraw/zinc/63/18/91/418631891.db2.gz VSAOGSREKMSSTF-NXEZZACHSA-N 1 1 317.267 1.690 20 5 DDBDMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375385102 418631893 /nfs/dbraw/zinc/63/18/93/418631893.db2.gz VSAOGSREKMSSTF-NXEZZACHSA-N 1 1 317.267 1.690 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361567637 418679866 /nfs/dbraw/zinc/67/98/66/418679866.db2.gz VUEZVENBVWCZCQ-HNNXBMFYSA-N 1 1 320.349 1.121 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368063173 418682922 /nfs/dbraw/zinc/68/29/22/418682922.db2.gz MLSLBHXJOMLPQM-CHWSQXEVSA-N 1 1 319.361 1.561 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368072063 418684307 /nfs/dbraw/zinc/68/43/07/418684307.db2.gz ODNKGJJCUICUSI-WCQYABFASA-N 1 1 305.334 1.171 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000371823806 418819132 /nfs/dbraw/zinc/81/91/32/418819132.db2.gz GZOVUGPXLORWER-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000371823806 418819134 /nfs/dbraw/zinc/81/91/34/418819134.db2.gz GZOVUGPXLORWER-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364923913 418822173 /nfs/dbraw/zinc/82/21/73/418822173.db2.gz RYSYZPYTUULFJE-SZTZYQKNSA-N 1 1 319.405 1.997 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCN2 ZINC000365542873 418873547 /nfs/dbraw/zinc/87/35/47/418873547.db2.gz CBCZIJHOAXOHMA-NWDGAFQWSA-N 1 1 318.377 1.838 20 5 DDBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000411245548 418883473 /nfs/dbraw/zinc/88/34/73/418883473.db2.gz PBCJFFOMFXFXKU-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO Cc1nc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365725777 418900170 /nfs/dbraw/zinc/90/01/70/418900170.db2.gz UWQHXAFYLJYYLO-LLVKDONJSA-N 1 1 306.326 1.362 20 5 DDBDMO Cc1nc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365725777 418900171 /nfs/dbraw/zinc/90/01/71/418900171.db2.gz UWQHXAFYLJYYLO-LLVKDONJSA-N 1 1 306.326 1.362 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365055774 418835247 /nfs/dbraw/zinc/83/52/47/418835247.db2.gz WJBLFOZWVNJZTE-RYUDHWBXSA-N 1 1 320.349 1.815 20 5 DDBDMO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+]1C ZINC000420994082 419426840 /nfs/dbraw/zinc/42/68/40/419426840.db2.gz BTMPYLSTAUMNRJ-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@H]1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420994082 419426846 /nfs/dbraw/zinc/42/68/46/419426846.db2.gz BTMPYLSTAUMNRJ-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@H]1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420994082 419426857 /nfs/dbraw/zinc/42/68/57/419426857.db2.gz BTMPYLSTAUMNRJ-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000420997585 419434722 /nfs/dbraw/zinc/43/47/22/419434722.db2.gz HGYTVQDGUIUGRL-CQSZACIVSA-N 1 1 320.393 1.868 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411948242 419514677 /nfs/dbraw/zinc/51/46/77/419514677.db2.gz UOMRNIVGVCFORE-LBPRGKRZSA-N 1 1 307.350 1.384 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000427324491 419636743 /nfs/dbraw/zinc/63/67/43/419636743.db2.gz MWISOVJMMYOAGZ-QWRGUYRKSA-N 1 1 307.354 1.168 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000412042129 419581319 /nfs/dbraw/zinc/58/13/19/419581319.db2.gz TWVVAQHRBWQYIP-AGIUHOORSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000427708107 419716731 /nfs/dbraw/zinc/71/67/31/419716731.db2.gz WBYBKPDREIAPCB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000427708107 419716740 /nfs/dbraw/zinc/71/67/40/419716740.db2.gz WBYBKPDREIAPCB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000428460085 419873243 /nfs/dbraw/zinc/87/32/43/419873243.db2.gz FYAIIRXUAMBPQI-SDQPKGBYSA-N 1 1 305.378 1.606 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CNCCO3)o2)cc1 ZINC000415096419 419941074 /nfs/dbraw/zinc/94/10/74/419941074.db2.gz PTEWGVXIPQHWRK-HNNXBMFYSA-N 1 1 317.345 1.933 20 5 DDBDMO Cc1c(CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000423794522 420189550 /nfs/dbraw/zinc/18/95/50/420189550.db2.gz DVLISBKLSPKQKM-NSHDSACASA-N 1 1 313.304 1.764 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416498112 420394304 /nfs/dbraw/zinc/39/43/04/420394304.db2.gz WLEZEPWPBOQXRX-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO COc1cccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000438786476 420465530 /nfs/dbraw/zinc/46/55/30/420465530.db2.gz YMHPKXXFIWLTHO-AWEZNQCLSA-N 1 1 320.349 1.293 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)[nH]c2c1 ZINC000450787252 420530531 /nfs/dbraw/zinc/53/05/31/420530531.db2.gz FCWFNTXMQYMSJK-TXEJJXNPSA-N 1 1 317.349 1.168 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)[nH]c2c1 ZINC000450787252 420530535 /nfs/dbraw/zinc/53/05/35/420530535.db2.gz FCWFNTXMQYMSJK-TXEJJXNPSA-N 1 1 317.349 1.168 20 5 DDBDMO CNc1nc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457084949 420603993 /nfs/dbraw/zinc/60/39/93/420603993.db2.gz GYXWGXZXRRVXAJ-NSHDSACASA-N 1 1 321.381 1.586 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452781829 420659616 /nfs/dbraw/zinc/65/96/16/420659616.db2.gz ISQXBOGSYLMJOX-OAHLLOKOSA-N 1 1 321.377 1.100 20 5 DDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000492892023 420701251 /nfs/dbraw/zinc/70/12/51/420701251.db2.gz ODMTVUXGGOZUJS-HNNXBMFYSA-N 1 1 318.377 1.750 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449696757 421061181 /nfs/dbraw/zinc/06/11/81/421061181.db2.gz LDYWPVXYQBURSA-NBUZRDOWSA-N 1 1 306.362 1.939 20 5 DDBDMO CCN1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1=O ZINC000449516711 421019718 /nfs/dbraw/zinc/01/97/18/421019718.db2.gz HGQBXBIHSMACDE-SNVBAGLBSA-N 1 1 309.322 1.019 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000456071890 421096429 /nfs/dbraw/zinc/09/64/29/421096429.db2.gz TXGGSLWQMBYWCT-OAHLLOKOSA-N 1 1 319.365 1.199 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000488809135 421119861 /nfs/dbraw/zinc/11/98/61/421119861.db2.gz SXAZSOFZCYXMOS-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488177655 421073543 /nfs/dbraw/zinc/07/35/43/421073543.db2.gz FZZUUTDAIFQADI-HNNXBMFYSA-N 1 1 320.393 1.805 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449786395 421084852 /nfs/dbraw/zinc/08/48/52/421084852.db2.gz NMYODXAENJIQKC-YVARQFDVSA-N 1 1 305.378 1.606 20 5 DDBDMO Cc1nc(NCCc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000450243956 421168666 /nfs/dbraw/zinc/16/86/66/421168666.db2.gz DGHCWKRVJJSJQA-UHFFFAOYSA-N 1 1 302.338 1.881 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000548822537 421476560 /nfs/dbraw/zinc/47/65/60/421476560.db2.gz WMFAJLDEORZDJR-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000548822537 421476564 /nfs/dbraw/zinc/47/65/64/421476564.db2.gz WMFAJLDEORZDJR-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@H]1CN(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058985 421566035 /nfs/dbraw/zinc/56/60/35/421566035.db2.gz VPGLWPNXDQXJBS-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H]1CN(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058985 421566038 /nfs/dbraw/zinc/56/60/38/421566038.db2.gz VPGLWPNXDQXJBS-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531630421 421639722 /nfs/dbraw/zinc/63/97/22/421639722.db2.gz XPJKPIPHENEIJL-LBPRGKRZSA-N 1 1 306.366 1.840 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000554599988 421654187 /nfs/dbraw/zinc/65/41/87/421654187.db2.gz PUMHFNUTXAJVQW-LLVKDONJSA-N 1 1 309.370 1.275 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC3(O)CCC3)C2)nc1 ZINC000520531258 421754477 /nfs/dbraw/zinc/75/44/77/421754477.db2.gz HXAWEFMGTVSIGW-GFCCVEGCSA-N 1 1 306.366 1.781 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141266 421833930 /nfs/dbraw/zinc/83/39/30/421833930.db2.gz USEHCVPIPDLEBB-MJBXVCDLSA-N 1 1 324.377 1.427 20 5 DDBDMO Nc1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000596163551 422368542 /nfs/dbraw/zinc/36/85/42/422368542.db2.gz WSDBATKSDYJRSP-OLZOCXBDSA-N 1 1 321.381 1.627 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596306831 422373638 /nfs/dbraw/zinc/37/36/38/422373638.db2.gz IQHTWZRORSKDSO-JTQLQIEISA-N 1 1 321.381 1.621 20 5 DDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983368 422440729 /nfs/dbraw/zinc/44/07/29/422440729.db2.gz IWZIWTXEPXHMNH-XJKSGUPXSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000332336396 281007993 /nfs/dbraw/zinc/00/79/93/281007993.db2.gz VYAMZIJWPVXMIO-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985816 300194383 /nfs/dbraw/zinc/19/43/83/300194383.db2.gz JVZOOQBEOJIVBQ-CVEARBPZSA-N 1 1 317.389 1.775 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364454398 300399229 /nfs/dbraw/zinc/39/92/29/300399229.db2.gz KPTBXFIEPGQNKN-JYJNAYRXSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000364454398 300399231 /nfs/dbraw/zinc/39/92/31/300399231.db2.gz KPTBXFIEPGQNKN-JYJNAYRXSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000364454398 300399235 /nfs/dbraw/zinc/39/92/35/300399235.db2.gz KPTBXFIEPGQNKN-JYJNAYRXSA-N 1 1 317.389 1.823 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587546 301058430 /nfs/dbraw/zinc/05/84/30/301058430.db2.gz DACMUPGTYLDVJN-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587546 301058432 /nfs/dbraw/zinc/05/84/32/301058432.db2.gz DACMUPGTYLDVJN-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587546 301058435 /nfs/dbraw/zinc/05/84/35/301058435.db2.gz DACMUPGTYLDVJN-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651844 302204104 /nfs/dbraw/zinc/20/41/04/302204104.db2.gz KGAWZKZZVPQTKD-HZPDHXFCSA-N 1 1 308.378 1.969 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377673044 302209363 /nfs/dbraw/zinc/20/93/63/302209363.db2.gz RLMNOGOHGSYJAW-RISCZKNCSA-N 1 1 305.334 1.042 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC12CCOCC2 ZINC000378359293 302317312 /nfs/dbraw/zinc/31/73/12/302317312.db2.gz HDESZGOZDLEYCS-UHFFFAOYSA-N 1 1 307.350 1.402 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532078035 303274964 /nfs/dbraw/zinc/27/49/64/303274964.db2.gz IJQDDULYVBYBNF-HZMBPMFUSA-N 1 1 318.377 1.849 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363398879 307027303 /nfs/dbraw/zinc/02/73/03/307027303.db2.gz QBJWAAMWMCFAND-SOUVJXGZSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363398879 307027304 /nfs/dbraw/zinc/02/73/04/307027304.db2.gz QBJWAAMWMCFAND-SOUVJXGZSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363398879 307027305 /nfs/dbraw/zinc/02/73/05/307027305.db2.gz QBJWAAMWMCFAND-SOUVJXGZSA-N 1 1 318.377 1.075 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3ccncn3)C2)n1 ZINC000363428954 307027807 /nfs/dbraw/zinc/02/78/07/307027807.db2.gz FNFJTZQLRHZKIQ-GFCCVEGCSA-N 1 1 302.338 1.461 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365078310 307057902 /nfs/dbraw/zinc/05/79/02/307057902.db2.gz STZDXCWYRUIEIG-GXFFZTMASA-N 1 1 320.349 1.307 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366416608 307073068 /nfs/dbraw/zinc/07/30/68/307073068.db2.gz KLWAOEGQSGNUQE-WYUUTHIRSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366416608 307073069 /nfs/dbraw/zinc/07/30/69/307073069.db2.gz KLWAOEGQSGNUQE-WYUUTHIRSA-N 1 1 305.334 1.092 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000367142504 307087014 /nfs/dbraw/zinc/08/70/14/307087014.db2.gz XKUSYUFGUVJORP-STQMWFEESA-N 1 1 307.350 1.115 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375962492 307236272 /nfs/dbraw/zinc/23/62/72/307236272.db2.gz OITWEWJVHKYBFR-HNNXBMFYSA-N 1 1 320.324 1.524 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c3n2CCCC3)n1 ZINC000560394640 307910926 /nfs/dbraw/zinc/91/09/26/307910926.db2.gz PXJUFKFLBLQMBL-UHFFFAOYSA-N 1 1 318.337 1.274 20 5 DDBDMO CC(C)n1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000561736775 307928985 /nfs/dbraw/zinc/92/89/85/307928985.db2.gz NTRDLFJLAJDTKX-UHFFFAOYSA-N 1 1 305.338 1.936 20 5 DDBDMO CNc1nc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000572358499 308218820 /nfs/dbraw/zinc/21/88/20/308218820.db2.gz DSXVNZXVUZORPD-SNVBAGLBSA-N 1 1 307.354 1.103 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]1(C)CO ZINC000595874491 490372126 /nfs/dbraw/zinc/37/21/26/490372126.db2.gz PCNNODFNRQTKFK-MEDUHNTESA-N 1 1 322.361 1.912 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000451190033 534066374 /nfs/dbraw/zinc/06/63/74/534066374.db2.gz GAGVCMGOYWDJDX-SNVBAGLBSA-N 1 1 311.313 1.976 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072367 534298541 /nfs/dbraw/zinc/29/85/41/534298541.db2.gz WOWDKWGVMPHBNU-UTUOFQBUSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072367 534298543 /nfs/dbraw/zinc/29/85/43/534298543.db2.gz WOWDKWGVMPHBNU-UTUOFQBUSA-N 1 1 307.350 1.625 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000156015273 519675727 /nfs/dbraw/zinc/67/57/27/519675727.db2.gz AHOWTNUTZTUWSL-NSHDSACASA-N 1 1 322.365 1.546 20 5 DDBDMO CC[N@H+]1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821254662 606701480 /nfs/dbraw/zinc/70/14/80/606701480.db2.gz OFNLYDRCDBIFEL-VIFPVBQESA-N 1 1 318.341 1.066 20 5 DDBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821242874 606732437 /nfs/dbraw/zinc/73/24/37/606732437.db2.gz XGIKUCLABASLQB-RNCFNFMXSA-N 1 1 317.353 1.527 20 5 DDBDMO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278521 697082055 /nfs/dbraw/zinc/08/20/55/697082055.db2.gz HDEIYJKNYIZPTA-XOUADPBQSA-N 1 1 309.410 1.622 20 5 DDBDMO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278521 697082058 /nfs/dbraw/zinc/08/20/58/697082058.db2.gz HDEIYJKNYIZPTA-XOUADPBQSA-N 1 1 309.410 1.622 20 5 DDBDMO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278521 697082061 /nfs/dbraw/zinc/08/20/61/697082061.db2.gz HDEIYJKNYIZPTA-XOUADPBQSA-N 1 1 309.410 1.622 20 5 DDBDMO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000776581635 698120838 /nfs/dbraw/zinc/12/08/38/698120838.db2.gz FQAHGJLKHUBMJI-HOTGVXAUSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000776581635 698120840 /nfs/dbraw/zinc/12/08/40/698120840.db2.gz FQAHGJLKHUBMJI-HOTGVXAUSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000776581635 698120842 /nfs/dbraw/zinc/12/08/42/698120842.db2.gz FQAHGJLKHUBMJI-HOTGVXAUSA-N 1 1 305.378 1.797 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582117 698121245 /nfs/dbraw/zinc/12/12/45/698121245.db2.gz QNUIPDIIELLOCW-XHDPSFHLSA-N 1 1 322.361 1.902 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cn[nH]c1 ZINC000782515469 698733621 /nfs/dbraw/zinc/73/36/21/698733621.db2.gz BMZJUFNEBSCEGG-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(C)c1[N+](=O)[O-] ZINC000800860783 700250243 /nfs/dbraw/zinc/25/02/43/700250243.db2.gz XYMZECUPRUYYTJ-CYBMUJFWSA-N 1 1 318.381 1.979 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c(C)c1[N+](=O)[O-] ZINC000800860783 700250246 /nfs/dbraw/zinc/25/02/46/700250246.db2.gz XYMZECUPRUYYTJ-CYBMUJFWSA-N 1 1 318.381 1.979 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782614834 698750925 /nfs/dbraw/zinc/75/09/25/698750925.db2.gz GLIRPRSPKXWYMV-WBMJQRKESA-N 1 1 319.361 1.546 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782618720 698751801 /nfs/dbraw/zinc/75/18/01/698751801.db2.gz OKBGYCILPRLILP-BMIGLBTASA-N 1 1 323.324 1.377 20 5 DDBDMO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732165313 699548642 /nfs/dbraw/zinc/54/86/42/699548642.db2.gz DZCMTFNIOPBJBW-LBPRGKRZSA-N 1 1 304.350 1.486 20 5 DDBDMO O=C(CC[NH+]1CCOCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737870960 699747210 /nfs/dbraw/zinc/74/72/10/699747210.db2.gz QEDJKMIFJXVHEF-UHFFFAOYSA-N 1 1 305.334 1.206 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637413 699820397 /nfs/dbraw/zinc/82/03/97/699820397.db2.gz WINGXHOGAYGTTE-QWRGUYRKSA-N 1 1 321.333 1.696 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637413 699820400 /nfs/dbraw/zinc/82/04/00/699820400.db2.gz WINGXHOGAYGTTE-QWRGUYRKSA-N 1 1 321.333 1.696 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000796081342 699911000 /nfs/dbraw/zinc/91/10/00/699911000.db2.gz TUNPYINNYUAFOV-HOTGVXAUSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000796081342 699911001 /nfs/dbraw/zinc/91/10/01/699911001.db2.gz TUNPYINNYUAFOV-HOTGVXAUSA-N 1 1 322.361 1.510 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637066 699920985 /nfs/dbraw/zinc/92/09/85/699920985.db2.gz KXAUUXFULZNAOE-GHMZBOCLSA-N 1 1 306.366 1.698 20 5 DDBDMO O=C1OCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000753842969 700461737 /nfs/dbraw/zinc/46/17/37/700461737.db2.gz OIGDRSULLQYKKY-GFCCVEGCSA-N 1 1 320.349 1.065 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000761077600 700841022 /nfs/dbraw/zinc/84/10/22/700841022.db2.gz NDZVILHYIJNDOK-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H]2C)n1 ZINC000804520669 701197246 /nfs/dbraw/zinc/19/72/46/701197246.db2.gz HMIGSVRXFSOQEZ-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406641 701318863 /nfs/dbraw/zinc/31/88/63/701318863.db2.gz PDVKGQFKAGFYLB-GHMZBOCLSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406641 701318864 /nfs/dbraw/zinc/31/88/64/701318864.db2.gz PDVKGQFKAGFYLB-GHMZBOCLSA-N 1 1 306.366 1.650 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807987420 701493548 /nfs/dbraw/zinc/49/35/48/701493548.db2.gz LHVZBCVGBFYGEC-JTQLQIEISA-N 1 1 324.356 1.872 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658333 701769032 /nfs/dbraw/zinc/76/90/32/701769032.db2.gz FAMHGQDRLDNQOP-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658333 701769039 /nfs/dbraw/zinc/76/90/39/701769039.db2.gz FAMHGQDRLDNQOP-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658333 701769045 /nfs/dbraw/zinc/76/90/45/701769045.db2.gz FAMHGQDRLDNQOP-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658333 701769047 /nfs/dbraw/zinc/76/90/47/701769047.db2.gz FAMHGQDRLDNQOP-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658333 701769053 /nfs/dbraw/zinc/76/90/53/701769053.db2.gz FAMHGQDRLDNQOP-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879214390 706616820 /nfs/dbraw/zinc/61/68/20/706616820.db2.gz QSVROAPUFFUICX-NEPJUHHUSA-N 1 1 319.365 1.278 20 5 DDBDMO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815601375 701902901 /nfs/dbraw/zinc/90/29/01/701902901.db2.gz URSXFYXKURKTRK-JTQLQIEISA-N 1 1 316.365 1.884 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000831175131 706649952 /nfs/dbraw/zinc/64/99/52/706649952.db2.gz FVKYSZQPRMFPJK-AAEUAGOBSA-N 1 1 302.277 1.330 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816954722 702238779 /nfs/dbraw/zinc/23/87/79/702238779.db2.gz JJNZEHZHEDHZFL-TVQRCGJNSA-N 1 1 320.305 1.279 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866271484 706662162 /nfs/dbraw/zinc/66/21/62/706662162.db2.gz MCNYLOYVFFBFGW-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(NCC[NH2+]C3CC3)CC2)cc1 ZINC000817953556 702534999 /nfs/dbraw/zinc/53/49/99/702534999.db2.gz NZLKZZMJTSJKAZ-UHFFFAOYSA-N 1 1 304.394 1.905 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879576432 706724999 /nfs/dbraw/zinc/72/49/99/706724999.db2.gz SCGJMWIDCQPDKF-GXTWGEPZSA-N 1 1 318.377 1.559 20 5 DDBDMO NS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538348 706727509 /nfs/dbraw/zinc/72/75/09/706727509.db2.gz AWZIKRYLTUTKDZ-GFCCVEGCSA-N 1 1 313.379 1.063 20 5 DDBDMO NS(=O)(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538348 706727512 /nfs/dbraw/zinc/72/75/12/706727512.db2.gz AWZIKRYLTUTKDZ-GFCCVEGCSA-N 1 1 313.379 1.063 20 5 DDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000818585464 703931606 /nfs/dbraw/zinc/93/16/06/703931606.db2.gz CYLGMIOQQIMPAS-SNVBAGLBSA-N 1 1 319.695 1.927 20 5 DDBDMO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979994 704041672 /nfs/dbraw/zinc/04/16/72/704041672.db2.gz FNOSITSFMQDNHV-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979994 704041676 /nfs/dbraw/zinc/04/16/76/704041676.db2.gz FNOSITSFMQDNHV-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000819338136 704110194 /nfs/dbraw/zinc/11/01/94/704110194.db2.gz WZPIWZSLBTVAJT-TZMCWYRMSA-N 1 1 318.333 1.266 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000853966108 704341820 /nfs/dbraw/zinc/34/18/20/704341820.db2.gz OSYGOKOHBUXAAJ-ZDUSSCGKSA-N 1 1 309.341 1.769 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000821091293 704370930 /nfs/dbraw/zinc/37/09/30/704370930.db2.gz AQQQGTGLIQSUEJ-GXTWGEPZSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000821091293 704370932 /nfs/dbraw/zinc/37/09/32/704370932.db2.gz AQQQGTGLIQSUEJ-GXTWGEPZSA-N 1 1 321.377 1.661 20 5 DDBDMO CC(C)(CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[N+](=O)[O-] ZINC000854726006 704444694 /nfs/dbraw/zinc/44/46/94/704444694.db2.gz FNXVLIZCPAYKFL-CYBMUJFWSA-N 1 1 313.398 1.145 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000856733289 704535868 /nfs/dbraw/zinc/53/58/68/704535868.db2.gz WCRYVEJSIIWMFC-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO CCOCC[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823232890 705178278 /nfs/dbraw/zinc/17/82/78/705178278.db2.gz JTSFZRBOEKVITA-UHFFFAOYSA-N 1 1 301.387 1.003 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837365 705193741 /nfs/dbraw/zinc/19/37/41/705193741.db2.gz IGUMGLORBWHUKB-OLZOCXBDSA-N 1 1 321.381 1.222 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000860693227 705256791 /nfs/dbraw/zinc/25/67/91/705256791.db2.gz BCVMZGFCDRPSER-UHFFFAOYSA-N 1 1 304.306 1.855 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338951 705433146 /nfs/dbraw/zinc/43/31/46/705433146.db2.gz KMKMRHBCANVRCQ-HIFRSBDPSA-N 1 1 308.334 1.861 20 5 DDBDMO Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000825648660 705709084 /nfs/dbraw/zinc/70/90/84/705709084.db2.gz WZRFESVFCFFVAD-ZDUSSCGKSA-N 1 1 323.418 1.957 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826128928 705775163 /nfs/dbraw/zinc/77/51/63/705775163.db2.gz WOJMARZIEYJPRE-HUUCEWRRSA-N 1 1 321.377 1.427 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035609 705915929 /nfs/dbraw/zinc/91/59/29/705915929.db2.gz RPHTYFSOPSWULA-WKPIXPDZSA-N 1 1 319.361 1.227 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@H]2OCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000876936147 705930137 /nfs/dbraw/zinc/93/01/37/705930137.db2.gz IMUKAOLHRGDNPV-DIOULYMOSA-N 1 1 319.361 1.406 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827216576 705952002 /nfs/dbraw/zinc/95/20/02/705952002.db2.gz ASGRMCVTMMEIEB-ZYHUDNBSSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827373158 705988143 /nfs/dbraw/zinc/98/81/43/705988143.db2.gz GWWIERAYORVNBO-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)N(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000877197342 706014549 /nfs/dbraw/zinc/01/45/49/706014549.db2.gz IEARXBWZMSHOQZ-XFJVYGCCSA-N 1 1 321.377 1.795 20 5 DDBDMO Cn1nnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000877781223 706209076 /nfs/dbraw/zinc/20/90/76/706209076.db2.gz WBFIRWXJHVEASK-UHFFFAOYSA-N 1 1 320.328 1.637 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877798047 706219278 /nfs/dbraw/zinc/21/92/78/706219278.db2.gz VZTBBQNFKNDWBJ-UHFFFAOYSA-N 1 1 314.769 1.815 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015878 706438012 /nfs/dbraw/zinc/43/80/12/706438012.db2.gz GFDYBIMLQOTUNX-OTYXRUKQSA-N 1 1 307.325 1.946 20 5 DDBDMO O=C1OC[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CCN12 ZINC000865617154 706478672 /nfs/dbraw/zinc/47/86/72/706478672.db2.gz VSXNLICHYUPWAC-NSHDSACASA-N 1 1 314.301 1.784 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944580 707552370 /nfs/dbraw/zinc/55/23/70/707552370.db2.gz BAIFWSWFUAMCEW-HIFRSBDPSA-N 1 1 321.377 1.571 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000836947563 707552885 /nfs/dbraw/zinc/55/28/85/707552885.db2.gz IZTRXDGKUCYRCE-SNVBAGLBSA-N 1 1 324.356 1.872 20 5 DDBDMO Cc1cccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897220931 708258652 /nfs/dbraw/zinc/25/86/52/708258652.db2.gz ZSKMHWBJKIKQDQ-ZIAGYGMSSA-N 1 1 305.378 1.939 20 5 DDBDMO Cc1cnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221610 708259276 /nfs/dbraw/zinc/25/92/76/708259276.db2.gz NSDXAKLRZJVJLE-QWHCGFSZSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222104 708260103 /nfs/dbraw/zinc/26/01/03/708260103.db2.gz RPKBHMHOVNLVHC-HZPDHXFCSA-N 1 1 305.378 1.939 20 5 DDBDMO C[N@@H+](CCO)CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000884825366 708388084 /nfs/dbraw/zinc/38/80/84/708388084.db2.gz SEMOTFPKLJLFKR-UHFFFAOYSA-N 1 1 318.171 1.693 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912598860 713041913 /nfs/dbraw/zinc/04/19/13/713041913.db2.gz IKBZIENLKVJRRQ-UHFFFAOYSA-N 1 1 309.366 1.208 20 5 DDBDMO C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000912604634 713044470 /nfs/dbraw/zinc/04/44/70/713044470.db2.gz LZFASAJDFLGSFM-GFCCVEGCSA-N 1 1 309.366 1.081 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000886188161 708711993 /nfs/dbraw/zinc/71/19/93/708711993.db2.gz MENSLUBVGYBHGT-OAHLLOKOSA-N 1 1 320.393 1.677 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000886188161 708711995 /nfs/dbraw/zinc/71/19/95/708711995.db2.gz MENSLUBVGYBHGT-OAHLLOKOSA-N 1 1 320.393 1.677 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202724 708714090 /nfs/dbraw/zinc/71/40/90/708714090.db2.gz CKGMAGXJXYAMCP-OCCSQVGLSA-N 1 1 306.366 1.285 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202724 708714091 /nfs/dbraw/zinc/71/40/91/708714091.db2.gz CKGMAGXJXYAMCP-OCCSQVGLSA-N 1 1 306.366 1.285 20 5 DDBDMO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886217515 708716916 /nfs/dbraw/zinc/71/69/16/708716916.db2.gz BCRNCAHOZLJBMU-ZDUSSCGKSA-N 1 1 318.377 1.726 20 5 DDBDMO Cc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888998091 709427726 /nfs/dbraw/zinc/42/77/26/709427726.db2.gz QURGHLAMMUNHNC-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1ccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888998091 709427729 /nfs/dbraw/zinc/42/77/29/709427729.db2.gz QURGHLAMMUNHNC-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNc2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000891652290 710257605 /nfs/dbraw/zinc/25/76/05/710257605.db2.gz ICCRWTHMMCOUOR-GHMZBOCLSA-N 1 1 311.386 1.628 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000893133768 710559775 /nfs/dbraw/zinc/55/97/75/710559775.db2.gz COJGWQMCISCXIG-MFKMUULPSA-N 1 1 321.377 1.881 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000893133768 710559776 /nfs/dbraw/zinc/55/97/76/710559776.db2.gz COJGWQMCISCXIG-MFKMUULPSA-N 1 1 321.377 1.881 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928444674 713198724 /nfs/dbraw/zinc/19/87/24/713198724.db2.gz LQNYSNGWTNEZQQ-VXGBXAGGSA-N 1 1 307.350 1.573 20 5 DDBDMO COc1c(O)ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000893669906 710770681 /nfs/dbraw/zinc/77/06/81/710770681.db2.gz XCLBNAQVRRRBRM-GHMZBOCLSA-N 1 1 309.366 1.833 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000893939081 710893042 /nfs/dbraw/zinc/89/30/42/710893042.db2.gz HFDVBUMDOKJOLS-NHYWBVRUSA-N 1 1 316.361 1.620 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000928555238 713224757 /nfs/dbraw/zinc/22/47/57/713224757.db2.gz MLPHWUVFSQGBII-NSHDSACASA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000928555238 713224758 /nfs/dbraw/zinc/22/47/58/713224758.db2.gz MLPHWUVFSQGBII-NSHDSACASA-N 1 1 315.333 1.214 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000928569237 713232252 /nfs/dbraw/zinc/23/22/52/713232252.db2.gz LSBCDFVBIXYUSO-LBPRGKRZSA-N 1 1 307.350 1.492 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686700 711238216 /nfs/dbraw/zinc/23/82/16/711238216.db2.gz ARUBDDFGDXGKMP-NWDGAFQWSA-N 1 1 310.350 1.902 20 5 DDBDMO Cc1nn(C)c(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895571574 711546374 /nfs/dbraw/zinc/54/63/74/711546374.db2.gz JALQWJJEPPBSMG-WDEREUQCSA-N 1 1 311.411 1.628 20 5 DDBDMO Cc1nn(C)c(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895571574 711546375 /nfs/dbraw/zinc/54/63/75/711546375.db2.gz JALQWJJEPPBSMG-WDEREUQCSA-N 1 1 311.411 1.628 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000895772268 711602424 /nfs/dbraw/zinc/60/24/24/711602424.db2.gz ZSUHNHSOGRWFFC-CYBMUJFWSA-N 1 1 318.377 1.947 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+](C)CCCF)cc1[N+](=O)[O-] ZINC000895895729 711639754 /nfs/dbraw/zinc/63/97/54/711639754.db2.gz DTUYSNHDZXTGJE-UHFFFAOYSA-N 1 1 314.313 1.938 20 5 DDBDMO Cc1ccc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000913754077 713295800 /nfs/dbraw/zinc/29/58/00/713295800.db2.gz GBWKVAHZDSCSKN-UHFFFAOYSA-N 1 1 320.393 1.013 20 5 DDBDMO Cn1cc(CNC2CC([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000906509947 712343558 /nfs/dbraw/zinc/34/35/58/712343558.db2.gz DRVPSUQKZBARRQ-UHFFFAOYSA-N 1 1 301.350 1.575 20 5 DDBDMO COc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000907298833 712536753 /nfs/dbraw/zinc/53/67/53/712536753.db2.gz IILCSSOBBNSQMG-LBPRGKRZSA-N 1 1 321.333 1.263 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908123561 712693415 /nfs/dbraw/zinc/69/34/15/712693415.db2.gz CUROJBWGSDJAMX-BBRMVZONSA-N 1 1 321.377 1.051 20 5 DDBDMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000914300116 713372984 /nfs/dbraw/zinc/37/29/84/713372984.db2.gz KDRVQOSGVGNCPU-LLVKDONJSA-N 1 1 308.338 1.107 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000916330400 713451274 /nfs/dbraw/zinc/45/12/74/713451274.db2.gz IBLYQISFLGZYIM-GFCCVEGCSA-N 1 1 324.381 1.533 20 5 DDBDMO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000930093816 713754889 /nfs/dbraw/zinc/75/48/89/713754889.db2.gz FSKIAVWRHXKTMN-NWDGAFQWSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000921681049 713841280 /nfs/dbraw/zinc/84/12/80/713841280.db2.gz PPKIZLWIFJQNTH-RISCZKNCSA-N 1 1 306.366 1.529 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932262637 714294464 /nfs/dbraw/zinc/29/44/64/714294464.db2.gz OHGDIYCXSXNOQT-CYBMUJFWSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932262637 714294465 /nfs/dbraw/zinc/29/44/65/714294465.db2.gz OHGDIYCXSXNOQT-CYBMUJFWSA-N 1 1 304.354 1.670 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000923278981 714295254 /nfs/dbraw/zinc/29/52/54/714295254.db2.gz ZLXCUFZLTLQXQN-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923278981 714295256 /nfs/dbraw/zinc/29/52/56/714295256.db2.gz ZLXCUFZLTLQXQN-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000923278981 714295257 /nfs/dbraw/zinc/29/52/57/714295257.db2.gz ZLXCUFZLTLQXQN-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000923294162 714299919 /nfs/dbraw/zinc/29/99/19/714299919.db2.gz DJELCRGRRWTWEU-NWDGAFQWSA-N 1 1 321.381 1.222 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000932647227 714374673 /nfs/dbraw/zinc/37/46/73/714374673.db2.gz NJGYNXUGYHKWID-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933216261 714538831 /nfs/dbraw/zinc/53/88/31/714538831.db2.gz GNXQRYJQEYQTHY-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933216261 714538833 /nfs/dbraw/zinc/53/88/33/714538833.db2.gz GNXQRYJQEYQTHY-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933900309 714696884 /nfs/dbraw/zinc/69/68/84/714696884.db2.gz JIUMPIXXMAFMMM-KBPBESRZSA-N 1 1 308.334 1.466 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933900309 714696885 /nfs/dbraw/zinc/69/68/85/714696885.db2.gz JIUMPIXXMAFMMM-KBPBESRZSA-N 1 1 308.334 1.466 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429755 715053180 /nfs/dbraw/zinc/05/31/80/715053180.db2.gz FJEUQCISPZCDKZ-LSDHHAIUSA-N 1 1 321.377 1.129 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001164667042 719385331 /nfs/dbraw/zinc/38/53/31/719385331.db2.gz MNXYLSYULDGMCU-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965366 722069251 /nfs/dbraw/zinc/06/92/51/722069251.db2.gz JTBORYFAKWUHDH-BETUJISGSA-N 1 1 322.340 1.428 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(N3CCc4[nH+]ccn4CC3)c2c1 ZINC001167182139 732809714 /nfs/dbraw/zinc/80/97/14/732809714.db2.gz HEGDSWIIXKIXRP-UHFFFAOYSA-N 1 1 310.317 1.797 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C(F)F ZINC001025643783 736807578 /nfs/dbraw/zinc/80/75/78/736807578.db2.gz ZOMZMLUNZBEJET-GDNZZTSVSA-N 1 1 311.288 1.406 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC001025645523 736808184 /nfs/dbraw/zinc/80/81/84/736808184.db2.gz OIPJDHLBJTZYEO-NHAGDIPZSA-N 1 1 301.346 1.551 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001196952426 747018668 /nfs/dbraw/zinc/01/86/68/747018668.db2.gz HDTLOXMREJVLPU-AWEZNQCLSA-N 1 1 318.333 1.126 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001197439982 747165377 /nfs/dbraw/zinc/16/53/77/747165377.db2.gz SYRAPECKTJOINY-UHFFFAOYSA-N 1 1 320.328 1.702 20 5 DDBDMO CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224374 750971244 /nfs/dbraw/zinc/97/12/44/750971244.db2.gz QUNZHMVPLNVFHD-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045543 762186816 /nfs/dbraw/zinc/18/68/16/762186816.db2.gz JKJJQMCRXRNLCL-WFASDCNBSA-N 1 1 320.393 1.996 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045543 762186819 /nfs/dbraw/zinc/18/68/19/762186819.db2.gz JKJJQMCRXRNLCL-WFASDCNBSA-N 1 1 320.393 1.996 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035711 762191562 /nfs/dbraw/zinc/19/15/62/762191562.db2.gz LGZDZDYTFSIANP-PEBLQZBPSA-N 1 1 312.366 1.084 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035711 762191566 /nfs/dbraw/zinc/19/15/66/762191566.db2.gz LGZDZDYTFSIANP-PEBLQZBPSA-N 1 1 312.366 1.084 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ncccn3)C2)C1 ZINC001169053130 762207835 /nfs/dbraw/zinc/20/78/35/762207835.db2.gz HQHGIWFPRMVVCW-HZSPNIEDSA-N 1 1 306.366 1.765 20 5 DDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000829037766 759863932 /nfs/dbraw/zinc/86/39/32/759863932.db2.gz MIXZTHJYWZHKFB-YGRLFVJLSA-N 1 1 324.356 1.098 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139114 760613171 /nfs/dbraw/zinc/61/31/71/760613171.db2.gz RFNFJEQGEWNMBC-AAVRWANBSA-N 1 1 323.780 1.742 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363355 761492426 /nfs/dbraw/zinc/49/24/26/761492426.db2.gz PGMUUQOWGHFJKP-BPGGGUHBSA-N 1 1 321.352 1.475 20 5 DDBDMO Cc1cccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363421 761493171 /nfs/dbraw/zinc/49/31/71/761493171.db2.gz SKERJJLRJIQMCE-RGCMKSIDSA-N 1 1 318.377 1.040 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001156625010 763489791 /nfs/dbraw/zinc/48/97/91/763489791.db2.gz VMLYMXFTGZGWFJ-UHFFFAOYSA-N 1 1 315.120 1.420 20 5 DDBDMO COc1ccc(C[C@H](C)N2CC[N@H+]3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355643 766261628 /nfs/dbraw/zinc/26/16/28/766261628.db2.gz NNVKFSAQQBSHDU-GXTWGEPZSA-N 1 1 305.378 1.924 20 5 DDBDMO CC[N@@H+](CCC(N)=O)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345039 766277369 /nfs/dbraw/zinc/27/73/69/766277369.db2.gz GWJFHTYXWJWLIF-LLVKDONJSA-N 1 1 309.366 1.732 20 5 DDBDMO CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048630866 769594141 /nfs/dbraw/zinc/59/41/41/769594141.db2.gz UMEZVGIKZSEHKC-OKILXGFUSA-N 1 1 303.362 1.895 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097057204 771610820 /nfs/dbraw/zinc/61/08/20/771610820.db2.gz ROJYNRAGWMRGRV-HAQNSBGRSA-N 1 1 321.381 1.391 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CO)COC2)c1F ZINC001173190419 777036869 /nfs/dbraw/zinc/03/68/69/777036869.db2.gz XTNYQYWWNPQXFX-SECBINFHSA-N 1 1 314.313 1.024 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173235751 777065021 /nfs/dbraw/zinc/06/50/21/777065021.db2.gz ZBICMRKMGHMXAD-BSLXNSKLSA-N 1 1 304.346 1.877 20 5 DDBDMO C[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001267207998 837536208 /nfs/dbraw/zinc/53/62/08/837536208.db2.gz SMKURLALLKJCCV-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001267207998 837536216 /nfs/dbraw/zinc/53/62/16/837536216.db2.gz SMKURLALLKJCCV-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cnon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266425598 836237116 /nfs/dbraw/zinc/23/71/16/836237116.db2.gz VGJQFAVQPSQKMG-UHFFFAOYSA-N 1 1 319.321 1.230 20 5 DDBDMO Cc1ncoc1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001267501581 838195399 /nfs/dbraw/zinc/19/53/99/838195399.db2.gz QZAFUWBTYIKWHG-CHWSQXEVSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1ncoc1C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001267501581 838195403 /nfs/dbraw/zinc/19/54/03/838195403.db2.gz QZAFUWBTYIKWHG-CHWSQXEVSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1ncoc1C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001267501581 838195410 /nfs/dbraw/zinc/19/54/10/838195410.db2.gz QZAFUWBTYIKWHG-CHWSQXEVSA-N 1 1 324.381 1.365 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001140951393 860744821 /nfs/dbraw/zinc/74/48/21/860744821.db2.gz JACLBXZCFOGHDO-FGWVZKOKSA-N 1 1 321.381 1.625 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747793 860927590 /nfs/dbraw/zinc/92/75/90/860927590.db2.gz IWQQCAPIFBBLQD-QWRGUYRKSA-N 1 1 306.322 1.052 20 5 DDBDMO CC(C)[C@@](C)(Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(N)=O ZINC001156653163 863232447 /nfs/dbraw/zinc/23/24/47/863232447.db2.gz ZDSOBZNWQHSPJO-LQYUOIDQSA-N 1 1 321.381 1.834 20 5 DDBDMO Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001157761649 864110922 /nfs/dbraw/zinc/11/09/22/864110922.db2.gz VUCXBBFYPUCRNL-GDBMZVCRSA-N 1 1 319.405 1.873 20 5 DDBDMO Cc1ccc(OCC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157775014 864128613 /nfs/dbraw/zinc/12/86/13/864128613.db2.gz HRAXSDHDQGPTRQ-HUUCEWRRSA-N 1 1 321.377 1.135 20 5 DDBDMO COc1ccc([N+](=O)[O-])nc1NCCC[NH+]1CCN(C)CC1 ZINC001161706510 866914685 /nfs/dbraw/zinc/91/46/85/866914685.db2.gz ZUQNZPSQOXVGFN-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO O=C(NC/C=C/C[NH2+]CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001321057399 867271567 /nfs/dbraw/zinc/27/15/67/867271567.db2.gz OQSCBMQGSPHXRD-DPOFCPOHSA-N 1 1 303.362 1.156 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@]1(C)CCC[N@@H+](C)C1 ZINC001162341320 867474582 /nfs/dbraw/zinc/47/45/82/867474582.db2.gz KLEAAZHIFNNZKH-CQSZACIVSA-N 1 1 308.338 1.673 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226129249 882220923 /nfs/dbraw/zinc/22/09/23/882220923.db2.gz ANWJLTHVWYQXFP-MKPLZMMCSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226129249 882220939 /nfs/dbraw/zinc/22/09/39/882220939.db2.gz ANWJLTHVWYQXFP-MKPLZMMCSA-N 1 1 311.725 1.826 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001165200289 869422739 /nfs/dbraw/zinc/42/27/39/869422739.db2.gz TWFKNBRYSKAGDN-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@H+]1C ZINC001338020098 869748401 /nfs/dbraw/zinc/74/84/01/869748401.db2.gz BARXBUBEQMJWOE-GFCCVEGCSA-N 1 1 306.366 1.851 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226363931 882387799 /nfs/dbraw/zinc/38/77/99/882387799.db2.gz AIICSLLEAZJGPT-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001301548910 871001389 /nfs/dbraw/zinc/00/13/89/871001389.db2.gz VRCWTQWLDAOXLO-UHFFFAOYSA-N 1 1 320.349 1.072 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC001306995044 871390612 /nfs/dbraw/zinc/39/06/12/871390612.db2.gz JETQVFCEJLQDDN-NSHDSACASA-N 1 1 304.354 1.521 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001308948986 871537616 /nfs/dbraw/zinc/53/76/16/871537616.db2.gz UWLVGWGTOVMINN-YOEHRIQHSA-N 1 1 320.437 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001308948986 871537639 /nfs/dbraw/zinc/53/76/39/871537639.db2.gz UWLVGWGTOVMINN-YOEHRIQHSA-N 1 1 320.437 1.936 20 5 DDBDMO C[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227093057 882825963 /nfs/dbraw/zinc/82/59/63/882825963.db2.gz RPFYUYOHDAUPMO-JTQLQIEISA-N 1 1 304.306 1.717 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001348969838 874902386 /nfs/dbraw/zinc/90/23/86/874902386.db2.gz JICKUAJEBJEVGG-ABAIWWIYSA-N 1 1 318.377 1.803 20 5 DDBDMO COC(=O)c1cc(COC[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001223690410 881059995 /nfs/dbraw/zinc/05/99/95/881059995.db2.gz JOOKUEGBQDETKL-CQSZACIVSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cc(COC[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001223690410 881060014 /nfs/dbraw/zinc/06/00/14/881060014.db2.gz JOOKUEGBQDETKL-CQSZACIVSA-N 1 1 324.333 1.229 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015237 883285762 /nfs/dbraw/zinc/28/57/62/883285762.db2.gz BGGXMOYGFIGHPV-SNVBAGLBSA-N 1 1 302.277 1.973 20 5 DDBDMO C[NH+]1CCC(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001228657453 883600037 /nfs/dbraw/zinc/60/00/37/883600037.db2.gz IMKSBTPWTKQWMY-UHFFFAOYSA-N 1 1 314.363 1.471 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937747 883740023 /nfs/dbraw/zinc/74/00/23/883740023.db2.gz ILLFOOGLVQWJCJ-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO COc1c(C)cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001229870497 884202110 /nfs/dbraw/zinc/20/21/10/884202110.db2.gz NKDXKIBVRIDIHB-SECBINFHSA-N 1 1 311.294 1.903 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235717267 888911314 /nfs/dbraw/zinc/91/13/14/888911314.db2.gz ZRHOHUUMYPPRHG-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO COc1ccc(C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246087554 892408119 /nfs/dbraw/zinc/40/81/19/892408119.db2.gz OZWDOPFCTPYFKC-BPNCWPANSA-N 1 1 311.357 1.824 20 5 DDBDMO CN1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001254476914 896456071 /nfs/dbraw/zinc/45/60/71/896456071.db2.gz XDBCOVZAAPFSOU-UHFFFAOYSA-N 1 1 318.377 1.338 20 5 DDBDMO CN1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O ZINC001254476914 896456077 /nfs/dbraw/zinc/45/60/77/896456077.db2.gz XDBCOVZAAPFSOU-UHFFFAOYSA-N 1 1 318.377 1.338 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254602790 896527350 /nfs/dbraw/zinc/52/73/50/896527350.db2.gz IXOHNAJWGJBWEP-KBXIAJHMSA-N 1 1 302.330 1.413 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC001262653034 900286705 /nfs/dbraw/zinc/28/67/05/900286705.db2.gz XHKBYSXPPAIUHU-LBPRGKRZSA-N 1 1 306.366 1.607 20 5 DDBDMO O=C(NCC1([NH2+]Cc2cncc(F)c2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001280480581 903723190 /nfs/dbraw/zinc/72/31/90/903723190.db2.gz UQNYQLVTPTYXIA-CHWSQXEVSA-N 1 1 322.340 1.014 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2NCC[N@H+]2CCCOCC2)s1 ZINC000286568891 219058192 /nfs/dbraw/zinc/05/81/92/219058192.db2.gz FYTIQCMPPFDXBW-UHFFFAOYSA-N 1 1 323.378 1.734 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452390050 231374987 /nfs/dbraw/zinc/37/49/87/231374987.db2.gz NLVLBCCDCHXJHM-AWEZNQCLSA-N 1 1 321.377 1.100 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452390478 231375345 /nfs/dbraw/zinc/37/53/45/231375345.db2.gz OFHNHNCEUUGBNP-OAHLLOKOSA-N 1 1 321.377 1.100 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495231477 529575824 /nfs/dbraw/zinc/57/58/24/529575824.db2.gz IHZJWKJBYWNLAH-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495231477 529575828 /nfs/dbraw/zinc/57/58/28/529575828.db2.gz IHZJWKJBYWNLAH-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614920830 362077830 /nfs/dbraw/zinc/07/78/30/362077830.db2.gz SGAUKADFQRYYOL-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920830 362077833 /nfs/dbraw/zinc/07/78/33/362077833.db2.gz SGAUKADFQRYYOL-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000614920830 362077836 /nfs/dbraw/zinc/07/78/36/362077836.db2.gz SGAUKADFQRYYOL-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000457211328 529883703 /nfs/dbraw/zinc/88/37/03/529883703.db2.gz VZXWPVIBLWCJQM-UHFFFAOYSA-N 1 1 324.356 1.920 20 5 DDBDMO O=C1NCCN1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289935282 282350706 /nfs/dbraw/zinc/35/07/06/282350706.db2.gz OOBLEIVJXKTIPG-UHFFFAOYSA-N 1 1 304.350 1.584 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000458207237 530060957 /nfs/dbraw/zinc/06/09/57/530060957.db2.gz JFNUQVFPJVONCU-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714380 199343098 /nfs/dbraw/zinc/34/30/98/199343098.db2.gz UZOPDBGNQQNURZ-SNVBAGLBSA-N 1 1 311.313 1.377 20 5 DDBDMO CO[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000267830808 186369749 /nfs/dbraw/zinc/36/97/49/186369749.db2.gz QYLQBQOUNRRICZ-ZDUSSCGKSA-N 1 1 305.334 1.205 20 5 DDBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000267830808 186369750 /nfs/dbraw/zinc/36/97/50/186369750.db2.gz QYLQBQOUNRRICZ-ZDUSSCGKSA-N 1 1 305.334 1.205 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172041317 198030731 /nfs/dbraw/zinc/03/07/31/198030731.db2.gz UTQRTFHLXYIGHF-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000047668853 352507431 /nfs/dbraw/zinc/50/74/31/352507431.db2.gz CLAJSFWPSDXKSI-UHFFFAOYSA-N 1 1 324.362 1.468 20 5 DDBDMO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000053506621 352659369 /nfs/dbraw/zinc/65/93/69/352659369.db2.gz DXIBHCWGSSQEQO-JKSUJKDBSA-N 1 1 317.389 1.741 20 5 DDBDMO COCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054353646 352688310 /nfs/dbraw/zinc/68/83/10/352688310.db2.gz LIRPOCMCAOPIQF-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO COc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057719404 352825820 /nfs/dbraw/zinc/82/58/20/352825820.db2.gz FXRFCIXWYWMHHG-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000058283672 352841554 /nfs/dbraw/zinc/84/15/54/352841554.db2.gz PTFOIQJTEVFYLO-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000060759025 352879010 /nfs/dbraw/zinc/87/90/10/352879010.db2.gz WHOKHPUMAZIVRA-STQMWFEESA-N 1 1 304.350 1.534 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000066041756 352974575 /nfs/dbraw/zinc/97/45/75/352974575.db2.gz SRDUHXPHMNNTBI-LLVKDONJSA-N 1 1 321.337 1.112 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000067361331 353045503 /nfs/dbraw/zinc/04/55/03/353045503.db2.gz KLXZKYVHNKTIBK-XHSDSOJGSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000067361331 353045504 /nfs/dbraw/zinc/04/55/04/353045504.db2.gz KLXZKYVHNKTIBK-XHSDSOJGSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000067361331 353045505 /nfs/dbraw/zinc/04/55/05/353045505.db2.gz KLXZKYVHNKTIBK-XHSDSOJGSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@H](O)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173567427 198227959 /nfs/dbraw/zinc/22/79/59/198227959.db2.gz RRSUIGSWRFNYKB-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000173567427 198227960 /nfs/dbraw/zinc/22/79/60/198227960.db2.gz RRSUIGSWRFNYKB-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC(C)NC(=O)c1ccc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000073868125 353275087 /nfs/dbraw/zinc/27/50/87/353275087.db2.gz SUBJRKXUXJJKSM-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO CCCNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174249050 198309856 /nfs/dbraw/zinc/30/98/56/198309856.db2.gz FDFJNCWJWMXQLO-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)COc1ccccc1[N+](=O)[O-])C2 ZINC000174691159 198371119 /nfs/dbraw/zinc/37/11/19/198371119.db2.gz ZGXWAMBNGHPILU-QWHCGFSZSA-N 1 1 319.361 1.669 20 5 DDBDMO CC[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000077528577 353475076 /nfs/dbraw/zinc/47/50/76/353475076.db2.gz VZUSHBZVCBMAJA-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO Cc1cnc(N2CCN(c3ccc(N)[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000078655575 353527046 /nfs/dbraw/zinc/52/70/46/353527046.db2.gz BLWBMSIHEANVPW-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000080617564 353618461 /nfs/dbraw/zinc/61/84/61/353618461.db2.gz MYEWIOCWPGOCNU-CYBMUJFWSA-N 1 1 322.409 1.789 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083446099 353710713 /nfs/dbraw/zinc/71/07/13/353710713.db2.gz YYFAEQKMADVBOF-UHFFFAOYSA-N 1 1 317.349 1.971 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000114014620 353978695 /nfs/dbraw/zinc/97/86/95/353978695.db2.gz WHLMRUKBDFYSSX-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000277039162 213257258 /nfs/dbraw/zinc/25/72/58/213257258.db2.gz HBIMQNHJZWFVRB-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000280236218 354420788 /nfs/dbraw/zinc/42/07/88/354420788.db2.gz KEGHMGBPNXBHIL-ZYHUDNBSSA-N 1 1 308.334 1.844 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000587416338 354882664 /nfs/dbraw/zinc/88/26/64/354882664.db2.gz XSIYIENJPXOHHK-LLVKDONJSA-N 1 1 322.365 1.981 20 5 DDBDMO Cc1cccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863636 354944607 /nfs/dbraw/zinc/94/46/07/354944607.db2.gz SGMITZDFPYJMLW-OLZOCXBDSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000590012854 355041555 /nfs/dbraw/zinc/04/15/55/355041555.db2.gz ZWWMMEGCKZHOJH-IINYFYTJSA-N 1 1 301.350 1.607 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000591505415 355322284 /nfs/dbraw/zinc/32/22/84/355322284.db2.gz HWYJHODJVYIEAQ-CQSZACIVSA-N 1 1 321.377 1.907 20 5 DDBDMO CC[C@H](NCC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577146 355329750 /nfs/dbraw/zinc/32/97/50/355329750.db2.gz OWJFMMLSAVSBER-AWEZNQCLSA-N 1 1 306.366 1.067 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@](C)(C(N)=O)C(C)C)c1 ZINC000593027959 355774544 /nfs/dbraw/zinc/77/45/44/355774544.db2.gz HJOHIALSXIFFSZ-HNNXBMFYSA-N 1 1 323.349 1.371 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2(CO)CCC2)c1 ZINC000593030718 355775553 /nfs/dbraw/zinc/77/55/53/355775553.db2.gz PVQGZLCQNCYMLF-UHFFFAOYSA-N 1 1 308.334 1.728 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071885 355787545 /nfs/dbraw/zinc/78/75/45/355787545.db2.gz VMYXVCQUPFIUKS-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593107004 355799944 /nfs/dbraw/zinc/79/99/44/355799944.db2.gz DCPFIBUEQJPUTQ-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593107004 355799948 /nfs/dbraw/zinc/79/99/48/355799948.db2.gz DCPFIBUEQJPUTQ-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593588732 355935395 /nfs/dbraw/zinc/93/53/95/355935395.db2.gz LXBKQCNUTCIOFL-XHDPSFHLSA-N 1 1 321.352 1.829 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000594014450 356086960 /nfs/dbraw/zinc/08/69/60/356086960.db2.gz DSXLYSZZRUDDDH-CABCVRRESA-N 1 1 324.377 1.571 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027793 356093790 /nfs/dbraw/zinc/09/37/90/356093790.db2.gz ZVFYKPXMTXZKLD-UKRRQHHQSA-N 1 1 324.381 1.186 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594065081 356103786 /nfs/dbraw/zinc/10/37/86/356103786.db2.gz ODPVUIZCYUKFTE-NSHDSACASA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000594065081 356103789 /nfs/dbraw/zinc/10/37/89/356103789.db2.gz ODPVUIZCYUKFTE-NSHDSACASA-N 1 1 307.350 1.687 20 5 DDBDMO CC(C)Oc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000594587286 356257160 /nfs/dbraw/zinc/25/71/60/356257160.db2.gz YMHBFKRXVCCKMO-GFCCVEGCSA-N 1 1 322.365 1.032 20 5 DDBDMO CC(C)Oc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000594587286 356257163 /nfs/dbraw/zinc/25/71/63/356257163.db2.gz YMHBFKRXVCCKMO-GFCCVEGCSA-N 1 1 322.365 1.032 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081579336 192296012 /nfs/dbraw/zinc/29/60/12/192296012.db2.gz VVPQGLAFBZTBPJ-LLVKDONJSA-N 1 1 322.365 1.237 20 5 DDBDMO CO[C@@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595663731 356599211 /nfs/dbraw/zinc/59/92/11/356599211.db2.gz SXGHESMEZKADFJ-HNNXBMFYSA-N 1 1 321.333 1.709 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595663731 356599213 /nfs/dbraw/zinc/59/92/13/356599213.db2.gz SXGHESMEZKADFJ-HNNXBMFYSA-N 1 1 321.333 1.709 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595766945 356644342 /nfs/dbraw/zinc/64/43/42/356644342.db2.gz SRMXFKSCLOKGED-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO C[N@H+](CC1=CCCOC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595753717 356637756 /nfs/dbraw/zinc/63/77/56/356637756.db2.gz SSAOVNHCALRLBL-HNNXBMFYSA-N 1 1 322.361 1.613 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595783354 356650903 /nfs/dbraw/zinc/65/09/03/356650903.db2.gz MWDYWEXGRXMKMX-IPYPFGDCSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759906 356641055 /nfs/dbraw/zinc/64/10/55/356641055.db2.gz QVYOBNCNFLYFCW-WBMJQRKESA-N 1 1 319.361 1.892 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595762102 356641745 /nfs/dbraw/zinc/64/17/45/356641745.db2.gz ZYDPHSWCRAVKSJ-WBMJQRKESA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595762102 356641746 /nfs/dbraw/zinc/64/17/46/356641746.db2.gz ZYDPHSWCRAVKSJ-WBMJQRKESA-N 1 1 319.361 1.810 20 5 DDBDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595815619 356661857 /nfs/dbraw/zinc/66/18/57/356661857.db2.gz OTDLWVORBHPVOV-CYBMUJFWSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595815619 356661858 /nfs/dbraw/zinc/66/18/58/356661858.db2.gz OTDLWVORBHPVOV-CYBMUJFWSA-N 1 1 321.377 1.790 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596119882 356780295 /nfs/dbraw/zinc/78/02/95/356780295.db2.gz DMEBYVKOUUGEAA-GFCCVEGCSA-N 1 1 304.350 1.367 20 5 DDBDMO O=[N+]([O-])c1cnccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596269020 356838876 /nfs/dbraw/zinc/83/88/76/356838876.db2.gz QRJIXNGUGVJQPR-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(C)CO ZINC000597237037 357105862 /nfs/dbraw/zinc/10/58/62/357105862.db2.gz VZCDNDMKWCXXHT-BDJLRTHQSA-N 1 1 322.361 1.816 20 5 DDBDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598648161 357669340 /nfs/dbraw/zinc/66/93/40/357669340.db2.gz OETAJHAZPZCUBO-ZDUSSCGKSA-N 1 1 321.377 1.677 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559448 357632122 /nfs/dbraw/zinc/63/21/22/357632122.db2.gz HQSZQOOYZSSJRQ-GFCCVEGCSA-N 1 1 321.381 1.180 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2NCC[N@@H+]2CC[C@@H](O)C2)s1 ZINC000599175671 357840406 /nfs/dbraw/zinc/84/04/06/357840406.db2.gz HJORLFBIMJVBEM-MRVPVSSYSA-N 1 1 309.351 1.078 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000599659045 358012634 /nfs/dbraw/zinc/01/26/34/358012634.db2.gz OAXNDBFFFKBLNB-MGPQQGTHSA-N 1 1 322.365 1.455 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599672296 358018721 /nfs/dbraw/zinc/01/87/21/358018721.db2.gz KXPMNOGLFJGYCA-UPJWGTAASA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000347979517 283314744 /nfs/dbraw/zinc/31/47/44/283314744.db2.gz RDACQPBGDYQLND-UHFFFAOYSA-N 1 1 320.353 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600068874 358113804 /nfs/dbraw/zinc/11/38/04/358113804.db2.gz LNPLNWWVMQTZBX-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCF)CC1 ZINC000600072597 358115779 /nfs/dbraw/zinc/11/57/79/358115779.db2.gz YDAKWLSLOXVGTI-UHFFFAOYSA-N 1 1 309.341 1.641 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600309539 358192208 /nfs/dbraw/zinc/19/22/08/358192208.db2.gz BMYDQAAVCHGWBL-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469400 358232538 /nfs/dbraw/zinc/23/25/38/358232538.db2.gz AOGPSJJDHMVSDC-LBPRGKRZSA-N 1 1 321.381 1.383 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474539 358234689 /nfs/dbraw/zinc/23/46/89/358234689.db2.gz XZYSGZMTLAOBHS-LLVKDONJSA-N 1 1 321.381 1.627 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600996141 358375117 /nfs/dbraw/zinc/37/51/17/358375117.db2.gz VJVCZFZCXHJOQT-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO CC[C@@H]1C(=O)NCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601125039 358412845 /nfs/dbraw/zinc/41/28/45/358412845.db2.gz LYRDXDFJVRNLSU-CYBMUJFWSA-N 1 1 300.318 1.858 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601967818 358757659 /nfs/dbraw/zinc/75/76/59/358757659.db2.gz CJFWRDNVWXVBGK-OAHLLOKOSA-N 1 1 321.377 1.916 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000602145618 358845295 /nfs/dbraw/zinc/84/52/95/358845295.db2.gz ZSLXXUWNDQUUFC-LBPRGKRZSA-N 1 1 319.361 1.526 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000602523996 359025271 /nfs/dbraw/zinc/02/52/71/359025271.db2.gz JGKGCPDVOKCXEF-UHFFFAOYSA-N 1 1 307.394 1.574 20 5 DDBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602452656 358986442 /nfs/dbraw/zinc/98/64/42/358986442.db2.gz FKRLAIYQXOBXKT-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602452656 358986447 /nfs/dbraw/zinc/98/64/47/358986447.db2.gz FKRLAIYQXOBXKT-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO O=C(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC1 ZINC000602667774 359113372 /nfs/dbraw/zinc/11/33/72/359113372.db2.gz SJGCEWBSAZHIJY-UHFFFAOYSA-N 1 1 317.267 1.982 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000602794833 359196267 /nfs/dbraw/zinc/19/62/67/359196267.db2.gz PQZWEJHSNHKFOA-UHFFFAOYSA-N 1 1 302.334 1.864 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccc(O)cc2C1 ZINC000602794833 359196271 /nfs/dbraw/zinc/19/62/71/359196271.db2.gz PQZWEJHSNHKFOA-UHFFFAOYSA-N 1 1 302.334 1.864 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCCO)Cc1ccccc1 ZINC000602786882 359191828 /nfs/dbraw/zinc/19/18/28/359191828.db2.gz WXGBYJRVEXDKJM-UHFFFAOYSA-N 1 1 318.377 1.984 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000602733346 359155310 /nfs/dbraw/zinc/15/53/10/359155310.db2.gz BGKQDYINYQPCSE-BBWFWOEESA-N 1 1 319.405 1.981 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000602733346 359155312 /nfs/dbraw/zinc/15/53/12/359155312.db2.gz BGKQDYINYQPCSE-BBWFWOEESA-N 1 1 319.405 1.981 20 5 DDBDMO CCCNC(=O)C[N@@H+](CCC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602767660 359176967 /nfs/dbraw/zinc/17/69/67/359176967.db2.gz VFWBGFPAVCZGRH-UHFFFAOYSA-N 1 1 311.386 1.338 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000602832928 359225168 /nfs/dbraw/zinc/22/51/68/359225168.db2.gz TWXWAJKVJKLEPH-UHFFFAOYSA-N 1 1 316.365 1.623 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000602802068 359202146 /nfs/dbraw/zinc/20/21/46/359202146.db2.gz SPTKQVVSPTUVFO-CYBMUJFWSA-N 1 1 318.381 1.843 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000602814182 359209566 /nfs/dbraw/zinc/20/95/66/359209566.db2.gz KLSWLOSPUNOCJR-UHFFFAOYSA-N 1 1 321.381 1.044 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000602814182 359209569 /nfs/dbraw/zinc/20/95/69/359209569.db2.gz KLSWLOSPUNOCJR-UHFFFAOYSA-N 1 1 321.381 1.044 20 5 DDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829544 359220952 /nfs/dbraw/zinc/22/09/52/359220952.db2.gz LKQKWCGMQAZJOW-SZWZKDINSA-N 1 1 306.366 1.455 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602831816 359223904 /nfs/dbraw/zinc/22/39/04/359223904.db2.gz IFZYVOBZDNMMJN-AWEZNQCLSA-N 1 1 323.397 1.338 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602917527 359294185 /nfs/dbraw/zinc/29/41/85/359294185.db2.gz LZNZIAUFJCVYAF-JGPRNRPPSA-N 1 1 310.354 1.490 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602917527 359294187 /nfs/dbraw/zinc/29/41/87/359294187.db2.gz LZNZIAUFJCVYAF-JGPRNRPPSA-N 1 1 310.354 1.490 20 5 DDBDMO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928004 359298752 /nfs/dbraw/zinc/29/87/52/359298752.db2.gz VJCRVTDUNVVFBU-JSGCOSHPSA-N 1 1 320.349 1.828 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928004 359298756 /nfs/dbraw/zinc/29/87/56/359298756.db2.gz VJCRVTDUNVVFBU-JSGCOSHPSA-N 1 1 320.349 1.828 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602952565 359318425 /nfs/dbraw/zinc/31/84/25/359318425.db2.gz NPJYSFWTXFODPX-NWDGAFQWSA-N 1 1 321.381 1.667 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602883213 359266912 /nfs/dbraw/zinc/26/69/12/359266912.db2.gz PDDHYDXRRJERFP-UHFFFAOYSA-N 1 1 316.365 1.623 20 5 DDBDMO COc1cc(Cn2cc(C[NH+]3CCCC3)nn2)ccc1[N+](=O)[O-] ZINC000603245127 359512120 /nfs/dbraw/zinc/51/21/20/359512120.db2.gz YEZPOIWRSFIEHG-UHFFFAOYSA-N 1 1 317.349 1.839 20 5 DDBDMO Cc1c(CC(=O)N(C)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000186805236 200014030 /nfs/dbraw/zinc/01/40/30/200014030.db2.gz BFAONSLHBRFTNQ-UHFFFAOYSA-N 1 1 305.378 1.998 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1c([N+](=O)[O-])ncn1C ZINC000603399712 359616586 /nfs/dbraw/zinc/61/65/86/359616586.db2.gz IGMKTBKMIAUKHV-UHFFFAOYSA-N 1 1 318.381 1.682 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000609257614 360277200 /nfs/dbraw/zinc/27/72/00/360277200.db2.gz DPMJWPHMXFGZLZ-SNVBAGLBSA-N 1 1 302.334 1.900 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283848 360286545 /nfs/dbraw/zinc/28/65/45/360286545.db2.gz FREMKTLZMUTXFV-DZGCQCFKSA-N 1 1 323.393 1.361 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CO ZINC000609894911 360362618 /nfs/dbraw/zinc/36/26/18/360362618.db2.gz MVWYKXKDKDSUOZ-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CO ZINC000609894911 360362624 /nfs/dbraw/zinc/36/26/24/360362624.db2.gz MVWYKXKDKDSUOZ-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1cc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489195 360449393 /nfs/dbraw/zinc/44/93/93/360449393.db2.gz LSBXRSSWQOHHQG-AWEZNQCLSA-N 1 1 320.393 1.989 20 5 DDBDMO Cc1cnc(NCCCN2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000610284208 360408701 /nfs/dbraw/zinc/40/87/01/360408701.db2.gz NAFGJPJCIMZARU-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cnc(NCCC[N@H+]2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000610284208 360408704 /nfs/dbraw/zinc/40/87/04/360408704.db2.gz NAFGJPJCIMZARU-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cnc(NCCC[N@@H+]2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000610284208 360408708 /nfs/dbraw/zinc/40/87/08/360408708.db2.gz NAFGJPJCIMZARU-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000610654058 360492031 /nfs/dbraw/zinc/49/20/31/360492031.db2.gz GVVMHBIWPJJXLJ-WDEREUQCSA-N 1 1 321.381 1.268 20 5 DDBDMO C[NH+](C)CCn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000610891440 360565505 /nfs/dbraw/zinc/56/55/05/360565505.db2.gz ZBAHCNJEXIKNSG-UHFFFAOYSA-N 1 1 319.321 1.311 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088226 360620260 /nfs/dbraw/zinc/62/02/60/360620260.db2.gz KHSBLFOABVWZON-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611100472 360622781 /nfs/dbraw/zinc/62/27/81/360622781.db2.gz GLFCHJPYLPDAFV-LLVKDONJSA-N 1 1 320.349 1.086 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611100472 360622783 /nfs/dbraw/zinc/62/27/83/360622783.db2.gz GLFCHJPYLPDAFV-LLVKDONJSA-N 1 1 320.349 1.086 20 5 DDBDMO Nc1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000619252139 363945630 /nfs/dbraw/zinc/94/56/30/363945630.db2.gz FEUDVSHJUGYHKW-RYUDHWBXSA-N 1 1 322.340 1.435 20 5 DDBDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000350290211 284178984 /nfs/dbraw/zinc/17/89/84/284178984.db2.gz UKJSNPDWBKUEHM-GLXFQSAKSA-N 1 1 307.325 1.833 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000264641015 204046353 /nfs/dbraw/zinc/04/63/53/204046353.db2.gz BWPBBGBLWYNIBY-LLVKDONJSA-N 1 1 323.397 1.875 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183120794 284338092 /nfs/dbraw/zinc/33/80/92/284338092.db2.gz URVOVVWSZFOTNM-CQSZACIVSA-N 1 1 320.349 1.156 20 5 DDBDMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382010 205305053 /nfs/dbraw/zinc/30/50/53/205305053.db2.gz AYSUYPNZTOOVQW-CMPLNLGQSA-N 1 1 322.390 1.833 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000338587148 250043127 /nfs/dbraw/zinc/04/31/27/250043127.db2.gz IGMGFEOVSRQURM-AWEZNQCLSA-N 1 1 311.313 1.330 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000285212536 218334993 /nfs/dbraw/zinc/33/49/93/218334993.db2.gz DRVAPGNZRLONCZ-GFCCVEGCSA-N 1 1 312.391 1.504 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000285212536 218334996 /nfs/dbraw/zinc/33/49/96/218334996.db2.gz DRVAPGNZRLONCZ-GFCCVEGCSA-N 1 1 312.391 1.504 20 5 DDBDMO CC(C)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000055901332 184000023 /nfs/dbraw/zinc/00/00/23/184000023.db2.gz UTOKOSYSVPEPJY-UHFFFAOYSA-N 1 1 309.366 1.807 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)CC2)cccc1[N+](=O)[O-] ZINC000065955331 184383969 /nfs/dbraw/zinc/38/39/69/184383969.db2.gz CIWSBQVJSBZUFN-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066126253 184391127 /nfs/dbraw/zinc/39/11/27/184391127.db2.gz FBXBEWGKCADHAP-SNVBAGLBSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[C@@H](C)[N@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000066126253 184391129 /nfs/dbraw/zinc/39/11/29/184391129.db2.gz FBXBEWGKCADHAP-SNVBAGLBSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000066126253 184391131 /nfs/dbraw/zinc/39/11/31/184391131.db2.gz FBXBEWGKCADHAP-SNVBAGLBSA-N 1 1 319.365 1.931 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419317798 533220368 /nfs/dbraw/zinc/22/03/68/533220368.db2.gz APMDUYWKCNIWBP-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543171 533236746 /nfs/dbraw/zinc/23/67/46/533236746.db2.gz BDKDARNXQCSYSH-CMPLNLGQSA-N 1 1 320.349 1.358 20 5 DDBDMO O=C(C[N@@H+](CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000071955972 406870524 /nfs/dbraw/zinc/87/05/24/406870524.db2.gz XTRTWPRVMCCFRV-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO O=C(C[N@H+](CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000071955972 406870525 /nfs/dbraw/zinc/87/05/25/406870525.db2.gz XTRTWPRVMCCFRV-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000076992683 406976863 /nfs/dbraw/zinc/97/68/63/406976863.db2.gz WSFPLZWEXRPYDE-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000076992683 406976865 /nfs/dbraw/zinc/97/68/65/406976865.db2.gz WSFPLZWEXRPYDE-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000091028366 407174358 /nfs/dbraw/zinc/17/43/58/407174358.db2.gz GURCANHVVPWVQH-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000091028366 407174361 /nfs/dbraw/zinc/17/43/61/407174361.db2.gz GURCANHVVPWVQH-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000091081888 407177369 /nfs/dbraw/zinc/17/73/69/407177369.db2.gz XRRSZGRJULLEGD-LBPRGKRZSA-N 1 1 304.354 1.968 20 5 DDBDMO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000122515429 407303775 /nfs/dbraw/zinc/30/37/75/407303775.db2.gz YQBFWTBKOWXWNC-UHFFFAOYSA-N 1 1 314.407 1.892 20 5 DDBDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000122515429 407303777 /nfs/dbraw/zinc/30/37/77/407303777.db2.gz YQBFWTBKOWXWNC-UHFFFAOYSA-N 1 1 314.407 1.892 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000112309049 407425826 /nfs/dbraw/zinc/42/58/26/407425826.db2.gz ZOEVIOJFIARKTM-UHFFFAOYSA-N 1 1 311.386 1.338 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170783895 407505180 /nfs/dbraw/zinc/50/51/80/407505180.db2.gz SNGXOVQLHSZHGS-UHFFFAOYSA-N 1 1 309.322 1.029 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170783895 407505185 /nfs/dbraw/zinc/50/51/85/407505185.db2.gz SNGXOVQLHSZHGS-UHFFFAOYSA-N 1 1 309.322 1.029 20 5 DDBDMO COC[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762643 407441853 /nfs/dbraw/zinc/44/18/53/407441853.db2.gz HISXIZFDRNSJKR-JSGCOSHPSA-N 1 1 310.350 1.303 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000112925488 407449746 /nfs/dbraw/zinc/44/97/46/407449746.db2.gz YJXBVQLCWVEFKA-UHFFFAOYSA-N 1 1 311.338 1.294 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc([S@](C)=O)cc1 ZINC000178420643 407450193 /nfs/dbraw/zinc/45/01/93/407450193.db2.gz ZUKPCIWKCMUJBS-QFIPXVFZSA-N 1 1 322.390 1.661 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc([S@](C)=O)cc1 ZINC000178420643 407450197 /nfs/dbraw/zinc/45/01/97/407450197.db2.gz ZUKPCIWKCMUJBS-QFIPXVFZSA-N 1 1 322.390 1.661 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000112990259 407456307 /nfs/dbraw/zinc/45/63/07/407456307.db2.gz DMANGPMUGFJYPN-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000265794730 407456313 /nfs/dbraw/zinc/45/63/13/407456313.db2.gz MVLYFBIICQMYGL-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000265794730 407456317 /nfs/dbraw/zinc/45/63/17/407456317.db2.gz MVLYFBIICQMYGL-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CC[NH3+])CCc2ccccc2)c1[N+](=O)[O-] ZINC000261707869 407587211 /nfs/dbraw/zinc/58/72/11/407587211.db2.gz KHHJZHAFFRUYCK-UHFFFAOYSA-N 1 1 317.349 1.270 20 5 DDBDMO C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000114675648 407596622 /nfs/dbraw/zinc/59/66/22/407596622.db2.gz TXORDFMORBFHGR-UHFFFAOYSA-N 1 1 311.313 1.277 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cnccn1 ZINC000271321430 407635373 /nfs/dbraw/zinc/63/53/73/407635373.db2.gz JZIVBOGXNNYYMG-UHFFFAOYSA-N 1 1 302.334 1.938 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171261789 407643271 /nfs/dbraw/zinc/64/32/71/407643271.db2.gz HEPBRGGFCJMTPT-CHWSQXEVSA-N 1 1 320.393 1.408 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000174123521 407916319 /nfs/dbraw/zinc/91/63/19/407916319.db2.gz SDLUXHZSCDNHIB-UHFFFAOYSA-N 1 1 320.349 1.915 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000272570097 407988155 /nfs/dbraw/zinc/98/81/55/407988155.db2.gz CWQLOFHNJHPERV-WDEREUQCSA-N 1 1 306.366 1.732 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189564091 408052850 /nfs/dbraw/zinc/05/28/50/408052850.db2.gz ICOIXYYZYNDWIM-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000189448482 408021461 /nfs/dbraw/zinc/02/14/61/408021461.db2.gz BCDHGFFUVAKRQM-AATRIKPKSA-N 1 1 319.361 1.447 20 5 DDBDMO COC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339198 408157307 /nfs/dbraw/zinc/15/73/07/408157307.db2.gz NIMCEMDYUYQEKH-CHWSQXEVSA-N 1 1 310.350 1.303 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000190429045 408241493 /nfs/dbraw/zinc/24/14/93/408241493.db2.gz HEWIKXRIRHGSRD-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000182632345 408212702 /nfs/dbraw/zinc/21/27/02/408212702.db2.gz PAJNGSHKPKUKQY-CYBMUJFWSA-N 1 1 321.377 1.755 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000182632345 408212704 /nfs/dbraw/zinc/21/27/04/408212704.db2.gz PAJNGSHKPKUKQY-CYBMUJFWSA-N 1 1 321.377 1.755 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCCO)Cc2ccccc2)c1 ZINC000268950430 408218492 /nfs/dbraw/zinc/21/84/92/408218492.db2.gz FCFLEFSEHPCBDC-UHFFFAOYSA-N 1 1 304.350 1.676 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246673382 408314997 /nfs/dbraw/zinc/31/49/97/408314997.db2.gz IBVQYERAMSWKOL-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246673382 408315002 /nfs/dbraw/zinc/31/50/02/408315002.db2.gz IBVQYERAMSWKOL-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459847 408317506 /nfs/dbraw/zinc/31/75/06/408317506.db2.gz HMGNVBZGGJFJQY-ZJUUUORDSA-N 1 1 321.381 1.796 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000131842679 162024282 /nfs/dbraw/zinc/02/42/82/162024282.db2.gz FXLFYXUYRUZSKX-CYBMUJFWSA-N 1 1 303.322 1.340 20 5 DDBDMO CS(=O)(=O)c1cccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000137970644 162128958 /nfs/dbraw/zinc/12/89/58/162128958.db2.gz HPIRLOXTQIEXJY-UHFFFAOYSA-N 1 1 313.379 1.506 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000173751612 162362328 /nfs/dbraw/zinc/36/23/28/162362328.db2.gz ZHBOBZRHYAULQB-CVEARBPZSA-N 1 1 320.393 1.975 20 5 DDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265205458 408578831 /nfs/dbraw/zinc/57/88/31/408578831.db2.gz KNNCQVJRERXVMN-LBPRGKRZSA-N 1 1 313.379 1.095 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000265389650 408632406 /nfs/dbraw/zinc/63/24/06/408632406.db2.gz BZDZHYNSFVCKOU-CYBMUJFWSA-N 1 1 322.365 1.745 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874703 408719550 /nfs/dbraw/zinc/71/95/50/408719550.db2.gz JQFSYHUUKMGFMZ-GJZGRUSLSA-N 1 1 319.361 1.325 20 5 DDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126373 408764673 /nfs/dbraw/zinc/76/46/73/408764673.db2.gz NDDLCHFPWBEEST-PRWKNARSSA-N 1 1 300.380 1.672 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185186697 408777147 /nfs/dbraw/zinc/77/71/47/408777147.db2.gz OEFRDLYVSZPJEM-OAHLLOKOSA-N 1 1 308.334 1.465 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000185186697 408777150 /nfs/dbraw/zinc/77/71/50/408777150.db2.gz OEFRDLYVSZPJEM-OAHLLOKOSA-N 1 1 308.334 1.465 20 5 DDBDMO C[C@@H]1C[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000290863212 408845818 /nfs/dbraw/zinc/84/58/18/408845818.db2.gz YVJJQCLEYDRNKA-NXEZZACHSA-N 1 1 307.354 1.008 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CCO1 ZINC000291703328 408909244 /nfs/dbraw/zinc/90/92/44/408909244.db2.gz UQHUAOQHUAOBAX-LBPRGKRZSA-N 1 1 317.345 1.630 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CCO1 ZINC000291703328 408909247 /nfs/dbraw/zinc/90/92/47/408909247.db2.gz UQHUAOQHUAOBAX-LBPRGKRZSA-N 1 1 317.345 1.630 20 5 DDBDMO Cc1cc(OCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000281799351 408931213 /nfs/dbraw/zinc/93/12/13/408931213.db2.gz VGWZIRIIGSBSIT-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO COCC(C)(C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292108555 408981967 /nfs/dbraw/zinc/98/19/67/408981967.db2.gz ITWPDQNIEYBAOW-UHFFFAOYSA-N 1 1 309.366 1.914 20 5 DDBDMO COCC(C)(C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292108555 408981968 /nfs/dbraw/zinc/98/19/68/408981968.db2.gz ITWPDQNIEYBAOW-UHFFFAOYSA-N 1 1 309.366 1.914 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC2=CC[N@@H+](C)CC2)n1 ZINC000286437483 408985245 /nfs/dbraw/zinc/98/52/45/408985245.db2.gz IMXBNNPPFLIENS-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292151109 408990850 /nfs/dbraw/zinc/99/08/50/408990850.db2.gz ILODXHJZCBBUQR-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=CCC2)n1 ZINC000287965392 409123632 /nfs/dbraw/zinc/12/36/32/409123632.db2.gz ZGTLNZZYFQJMND-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)n1 ZINC000289410576 409266012 /nfs/dbraw/zinc/26/60/12/409266012.db2.gz AGVHIKSNKUIJTR-LLVKDONJSA-N 1 1 310.745 1.588 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)n1 ZINC000289410576 409266015 /nfs/dbraw/zinc/26/60/15/409266015.db2.gz AGVHIKSNKUIJTR-LLVKDONJSA-N 1 1 310.745 1.588 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573616 409363590 /nfs/dbraw/zinc/36/35/90/409363590.db2.gz VRLHBEPQIHYMIO-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573616 409363594 /nfs/dbraw/zinc/36/35/94/409363594.db2.gz VRLHBEPQIHYMIO-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000280628380 409384483 /nfs/dbraw/zinc/38/44/83/409384483.db2.gz UINXVKUASPUTQO-LBPRGKRZSA-N 1 1 321.377 1.881 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000280622553 409385971 /nfs/dbraw/zinc/38/59/71/409385971.db2.gz BRZZPLZYEKNZRP-GFCCVEGCSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280622553 409385976 /nfs/dbraw/zinc/38/59/76/409385976.db2.gz BRZZPLZYEKNZRP-GFCCVEGCSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280622553 409385982 /nfs/dbraw/zinc/38/59/82/409385982.db2.gz BRZZPLZYEKNZRP-GFCCVEGCSA-N 1 1 321.381 1.845 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284414801 409342299 /nfs/dbraw/zinc/34/22/99/409342299.db2.gz BUPBFPSAYNBTBK-NWDGAFQWSA-N 1 1 312.757 1.553 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000317844499 164028617 /nfs/dbraw/zinc/02/86/17/164028617.db2.gz YAJXIMXGAIDACF-GHMZBOCLSA-N 1 1 309.370 1.166 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000319187109 164035315 /nfs/dbraw/zinc/03/53/15/164035315.db2.gz OSBAEQIEXGKSQB-VHSXEESVSA-N 1 1 308.338 1.671 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408112160 164231630 /nfs/dbraw/zinc/23/16/30/164231630.db2.gz IPURNLOLOVAOKJ-SECBINFHSA-N 1 1 303.322 1.247 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408112160 164231632 /nfs/dbraw/zinc/23/16/32/164231632.db2.gz IPURNLOLOVAOKJ-SECBINFHSA-N 1 1 303.322 1.247 20 5 DDBDMO CC[N@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971318 409555894 /nfs/dbraw/zinc/55/58/94/409555894.db2.gz DITLNKOXAYNELE-OAHLLOKOSA-N 1 1 323.393 1.362 20 5 DDBDMO CCN1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971318 409555903 /nfs/dbraw/zinc/55/59/03/409555903.db2.gz DITLNKOXAYNELE-OAHLLOKOSA-N 1 1 323.393 1.362 20 5 DDBDMO CCN1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971318 409555915 /nfs/dbraw/zinc/55/59/15/409555915.db2.gz DITLNKOXAYNELE-OAHLLOKOSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000296564837 409619665 /nfs/dbraw/zinc/61/96/65/409619665.db2.gz SHZAWWIPGQLPJB-BETUJISGSA-N 1 1 320.393 1.871 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471795 409658278 /nfs/dbraw/zinc/65/82/78/409658278.db2.gz LMBGWJCXWGIIQI-FZMZJTMJSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471795 409658284 /nfs/dbraw/zinc/65/82/84/409658284.db2.gz LMBGWJCXWGIIQI-FZMZJTMJSA-N 1 1 307.350 1.493 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858123 409670584 /nfs/dbraw/zinc/67/05/84/409670584.db2.gz UALMXNIVYYVRTN-KGLIPLIRSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858123 409670590 /nfs/dbraw/zinc/67/05/90/409670590.db2.gz UALMXNIVYYVRTN-KGLIPLIRSA-N 1 1 323.349 1.401 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670373 410066276 /nfs/dbraw/zinc/06/62/76/410066276.db2.gz UOUSVWTYWOMCSV-SLEUVZQESA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670373 410066280 /nfs/dbraw/zinc/06/62/80/410066280.db2.gz UOUSVWTYWOMCSV-SLEUVZQESA-N 1 1 319.361 1.689 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346729354 410117867 /nfs/dbraw/zinc/11/78/67/410117867.db2.gz OGJSTBVDCUNGMH-INIZCTEOSA-N 1 1 321.377 1.055 20 5 DDBDMO Cc1c(C[N@H+](C)C2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000357646010 410161529 /nfs/dbraw/zinc/16/15/29/410161529.db2.gz HNYBBQFEZBITJJ-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO Cc1c(CN(C)C2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000357646010 410161536 /nfs/dbraw/zinc/16/15/36/410161536.db2.gz HNYBBQFEZBITJJ-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO C[C@H]1COCCN1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332587653 410185020 /nfs/dbraw/zinc/18/50/20/410185020.db2.gz IHNVKPZXXGFGCG-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H]1COCCN1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332587653 410185026 /nfs/dbraw/zinc/18/50/26/410185026.db2.gz IHNVKPZXXGFGCG-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C)CC1 ZINC000298642890 410328079 /nfs/dbraw/zinc/32/80/79/410328079.db2.gz RVFUXRIOZCZBOE-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)c(Cl)c1 ZINC000347325042 410469642 /nfs/dbraw/zinc/46/96/42/410469642.db2.gz YUXDSXLPQOMNNS-RYUDHWBXSA-N 1 1 300.742 1.566 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459883 410471139 /nfs/dbraw/zinc/47/11/39/410471139.db2.gz WTJNRUXNCSIALK-YPMHNXCESA-N 1 1 323.397 1.397 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000347354531 410492903 /nfs/dbraw/zinc/49/29/03/410492903.db2.gz BRXKZFUUVMRSGX-XCHKQJEOSA-N 1 1 316.361 1.708 20 5 DDBDMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000347354531 410492910 /nfs/dbraw/zinc/49/29/10/410492910.db2.gz BRXKZFUUVMRSGX-XCHKQJEOSA-N 1 1 316.361 1.708 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352191171 410532823 /nfs/dbraw/zinc/53/28/23/410532823.db2.gz SEVXYCHTDBMKNK-SNVBAGLBSA-N 1 1 311.313 1.641 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359308994 410594645 /nfs/dbraw/zinc/59/46/45/410594645.db2.gz OSVPQFNWOGKSNK-STQMWFEESA-N 1 1 318.377 1.383 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@H+]1C ZINC000343583801 410551590 /nfs/dbraw/zinc/55/15/90/410551590.db2.gz ZKEAPTRZIIRKNT-GXSJLCMTSA-N 1 1 321.333 1.536 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000301150814 410666217 /nfs/dbraw/zinc/66/62/17/410666217.db2.gz MWZFBDRWHZCUPS-GFCCVEGCSA-N 1 1 306.366 1.594 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000340098175 410675107 /nfs/dbraw/zinc/67/51/07/410675107.db2.gz VVPHIMVYLITDJU-TZMCWYRMSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@H](C[NH+](C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000343801566 410707930 /nfs/dbraw/zinc/70/79/30/410707930.db2.gz GBFCSJKFCQNDKR-SSDOTTSWSA-N 1 1 307.397 1.422 20 5 DDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(S(C)(=O)=O)CC1 ZINC000353041031 410754345 /nfs/dbraw/zinc/75/43/45/410754345.db2.gz XCTKAFPBROQOCD-VIFPVBQESA-N 1 1 316.354 1.789 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000337427432 410775816 /nfs/dbraw/zinc/77/58/16/410775816.db2.gz SWWNABANKIRICT-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330571995 410786599 /nfs/dbraw/zinc/78/65/99/410786599.db2.gz DKAINMBLKOZFIB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330571995 410786604 /nfs/dbraw/zinc/78/66/04/410786604.db2.gz DKAINMBLKOZFIB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359766103 410862414 /nfs/dbraw/zinc/86/24/14/410862414.db2.gz SMOIAJAEBMRKGP-JTQLQIEISA-N 1 1 310.354 1.546 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000359773409 410867971 /nfs/dbraw/zinc/86/79/71/410867971.db2.gz ISMVSVWKQFPJLN-SNVBAGLBSA-N 1 1 311.386 1.731 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000330679394 410872801 /nfs/dbraw/zinc/87/28/01/410872801.db2.gz DIVLJBOKEGAHNX-UHFFFAOYSA-N 1 1 307.354 1.433 20 5 DDBDMO Cn1nccc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348361392 410933946 /nfs/dbraw/zinc/93/39/46/410933946.db2.gz AWJKKTWDGFGJGY-UHFFFAOYSA-N 1 1 317.349 1.789 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000356289273 410946504 /nfs/dbraw/zinc/94/65/04/410946504.db2.gz VWOBSARGDXSIHQ-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353687325 411110044 /nfs/dbraw/zinc/11/00/44/411110044.db2.gz IPWGNSBHAPAEBT-UHFFFAOYSA-N 1 1 314.305 1.406 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373929381 418474393 /nfs/dbraw/zinc/47/43/93/418474393.db2.gz OJIZHBWNPJVSBB-OCCSQVGLSA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374025702 418485303 /nfs/dbraw/zinc/48/53/03/418485303.db2.gz YMOXRNOFXYZTSN-CQDKDKBSSA-N 1 1 319.361 1.554 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374025702 418485304 /nfs/dbraw/zinc/48/53/04/418485304.db2.gz YMOXRNOFXYZTSN-CQDKDKBSSA-N 1 1 319.361 1.554 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c2nonc21 ZINC000366859499 418528158 /nfs/dbraw/zinc/52/81/58/418528158.db2.gz YNNPSNVPDBQULE-JTQLQIEISA-N 1 1 319.321 1.042 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000374858537 418570396 /nfs/dbraw/zinc/57/03/96/418570396.db2.gz CPXWSYPIVISGNT-ZDUSSCGKSA-N 1 1 309.341 1.640 20 5 DDBDMO CNc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360937553 418551088 /nfs/dbraw/zinc/55/10/88/418551088.db2.gz LPROCLPFMDMKRS-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360937553 418551091 /nfs/dbraw/zinc/55/10/91/418551091.db2.gz LPROCLPFMDMKRS-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360945988 418552183 /nfs/dbraw/zinc/55/21/83/418552183.db2.gz SUXNAGYZENRUNZ-GXFFZTMASA-N 1 1 318.377 1.849 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375052992 418596447 /nfs/dbraw/zinc/59/64/47/418596447.db2.gz DWUBOMYXJFZFGQ-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291312705 222306322 /nfs/dbraw/zinc/30/63/22/222306322.db2.gz TWUHCQHEWCQJPF-QWHCGFSZSA-N 1 1 312.366 1.691 20 5 DDBDMO Cc1n[nH]cc1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375388867 418633866 /nfs/dbraw/zinc/63/38/66/418633866.db2.gz GLNJMLOLRFWTLN-UHFFFAOYSA-N 1 1 304.354 1.739 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000368066177 418682910 /nfs/dbraw/zinc/68/29/10/418682910.db2.gz WHBGBACSAMRRDC-HNNXBMFYSA-N 1 1 309.366 1.097 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586784 418687433 /nfs/dbraw/zinc/68/74/33/418687433.db2.gz UJOCKURRZLRCRE-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000362262913 418751367 /nfs/dbraw/zinc/75/13/67/418751367.db2.gz PTLQFXJUZAWJAR-AWEZNQCLSA-N 1 1 312.297 1.546 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365668959 418892472 /nfs/dbraw/zinc/89/24/72/418892472.db2.gz FRJSIHHGNJGEEN-STQMWFEESA-N 1 1 319.361 1.496 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)nn21 ZINC000372703424 418893757 /nfs/dbraw/zinc/89/37/57/418893757.db2.gz IDOIEHMCTDHWSJ-MNOVXSKESA-N 1 1 302.338 1.676 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421009410 419446732 /nfs/dbraw/zinc/44/67/32/419446732.db2.gz QAXQJPDJGVWYRK-DOMZBBRYSA-N 1 1 320.393 1.948 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421008005 419448045 /nfs/dbraw/zinc/44/80/45/419448045.db2.gz CXJLJVBUCSCBLY-CYBMUJFWSA-N 1 1 309.366 1.241 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000426899509 419567334 /nfs/dbraw/zinc/56/73/34/419567334.db2.gz UXUFCCGJMVHLSB-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)n1 ZINC000427844433 419750425 /nfs/dbraw/zinc/75/04/25/419750425.db2.gz CUKBEFAKMNOQFE-RYUDHWBXSA-N 1 1 323.397 1.756 20 5 DDBDMO CC(C)([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000429266450 419993755 /nfs/dbraw/zinc/99/37/55/419993755.db2.gz UOIKSUTZCIVENW-UHFFFAOYSA-N 1 1 320.349 1.408 20 5 DDBDMO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000415134787 419961297 /nfs/dbraw/zinc/96/12/97/419961297.db2.gz WDVMAQVRBKXBCK-OAHLLOKOSA-N 1 1 316.365 1.482 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418997861 420041987 /nfs/dbraw/zinc/04/19/87/420041987.db2.gz LNTZLNZTSGAUNV-WDEREUQCSA-N 1 1 311.386 1.011 20 5 DDBDMO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378153 420248834 /nfs/dbraw/zinc/24/88/34/420248834.db2.gz WXEKLIDPMMSVTP-BFQNTYOBSA-N 1 1 320.393 1.900 20 5 DDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416288734 420309019 /nfs/dbraw/zinc/30/90/19/420309019.db2.gz DOQBJUWSBCELLG-ZJUUUORDSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416288734 420309021 /nfs/dbraw/zinc/30/90/21/420309021.db2.gz DOQBJUWSBCELLG-ZJUUUORDSA-N 1 1 313.379 1.183 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604502 420329035 /nfs/dbraw/zinc/32/90/35/420329035.db2.gz RZELMEBIHLPSPR-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H](C)[NH+]1CCOCC1 ZINC000301959860 230006130 /nfs/dbraw/zinc/00/61/30/230006130.db2.gz HIDUFXOOPKJATL-MNOVXSKESA-N 1 1 320.353 1.159 20 5 DDBDMO CC(=O)c1ccc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000450871142 420548983 /nfs/dbraw/zinc/54/89/83/420548983.db2.gz QNHFMKYJWWVYFX-UHFFFAOYSA-N 1 1 307.350 1.666 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000453014097 420701379 /nfs/dbraw/zinc/70/13/79/420701379.db2.gz UOHBEDOTMTXWME-TVQRCGJNSA-N 1 1 323.324 1.519 20 5 DDBDMO CCN1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1=O ZINC000449516708 421019943 /nfs/dbraw/zinc/01/99/43/421019943.db2.gz HGQBXBIHSMACDE-JTQLQIEISA-N 1 1 309.322 1.019 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000450397524 421192785 /nfs/dbraw/zinc/19/27/85/421192785.db2.gz VWFKRBWZRARDEF-JSGCOSHPSA-N 1 1 306.366 1.537 20 5 DDBDMO Cc1nc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000450366434 421189910 /nfs/dbraw/zinc/18/99/10/421189910.db2.gz SZLFFMGXVFENRU-ZDUSSCGKSA-N 1 1 305.382 1.861 20 5 DDBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000523435961 421239075 /nfs/dbraw/zinc/23/90/75/421239075.db2.gz ZALUSHDFXLQAMH-HNNXBMFYSA-N 1 1 318.377 1.973 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562393868 421361711 /nfs/dbraw/zinc/36/17/11/421361711.db2.gz ZOGVRMRSAAEJKA-CYBMUJFWSA-N 1 1 323.393 1.783 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000548384210 421431063 /nfs/dbraw/zinc/43/10/63/421431063.db2.gz DGKODOJHLINPGH-SNVBAGLBSA-N 1 1 319.321 1.198 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000563990549 421563587 /nfs/dbraw/zinc/56/35/87/421563587.db2.gz XDJZLNDGHCTLJG-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000517041146 421591239 /nfs/dbraw/zinc/59/12/39/421591239.db2.gz HEPDTQQGRJYVKG-CQSZACIVSA-N 1 1 323.393 1.359 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777271 421629476 /nfs/dbraw/zinc/62/94/76/421629476.db2.gz DWYZWLZQBDZSHE-JSGCOSHPSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777271 421629479 /nfs/dbraw/zinc/62/94/79/421629479.db2.gz DWYZWLZQBDZSHE-JSGCOSHPSA-N 1 1 310.350 1.169 20 5 DDBDMO CCN1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000517173056 421598395 /nfs/dbraw/zinc/59/83/95/421598395.db2.gz QGODVACJGFNOSE-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[NH+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000517173056 421598398 /nfs/dbraw/zinc/59/83/98/421598398.db2.gz QGODVACJGFNOSE-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000519580992 421702966 /nfs/dbraw/zinc/70/29/66/421702966.db2.gz VJFKHQKYXUYZBB-WCQYABFASA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1ccnc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000575813474 422330628 /nfs/dbraw/zinc/33/06/28/422330628.db2.gz XPXNYBUXGBAPRK-ZDUSSCGKSA-N 1 1 301.350 1.984 20 5 DDBDMO C[C@@H]1[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000592781329 422335466 /nfs/dbraw/zinc/33/54/66/422335466.db2.gz ZFFRHLMRCOQYNB-PSASIEDQSA-N 1 1 303.322 1.750 20 5 DDBDMO Nc1n[nH]c(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000595489562 422358242 /nfs/dbraw/zinc/35/82/42/422358242.db2.gz UQRXHCNQNUAWGZ-UHFFFAOYSA-N 1 1 308.367 1.736 20 5 DDBDMO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000590694558 422322432 /nfs/dbraw/zinc/32/24/32/422322432.db2.gz PHMSXOGQHWNILY-NHYWBVRUSA-N 1 1 316.361 2.274 20 5 DDBDMO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000590694558 422322437 /nfs/dbraw/zinc/32/24/37/422322437.db2.gz PHMSXOGQHWNILY-NHYWBVRUSA-N 1 1 316.361 2.274 20 5 DDBDMO CNc1nccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597861294 422392407 /nfs/dbraw/zinc/39/24/07/422392407.db2.gz SKUFZEAFGXDXIM-JTQLQIEISA-N 1 1 321.381 1.634 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000341956075 271259294 /nfs/dbraw/zinc/25/92/94/271259294.db2.gz SKIYNELTTRYQKY-BBRMVZONSA-N 1 1 322.361 1.589 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)c1 ZINC000302094341 274004450 /nfs/dbraw/zinc/00/44/50/274004450.db2.gz NLGJNRFGGMTILA-UHFFFAOYSA-N 1 1 305.334 1.666 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000153159575 277131382 /nfs/dbraw/zinc/13/13/82/277131382.db2.gz VUKRLOGMFPPUQF-HOTGVXAUSA-N 1 1 314.345 1.662 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657622 277303791 /nfs/dbraw/zinc/30/37/91/277303791.db2.gz DILMAMPINKGBRY-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059422 278438859 /nfs/dbraw/zinc/43/88/59/278438859.db2.gz VKWCVDIGVLMFHX-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932452 281030020 /nfs/dbraw/zinc/03/00/20/281030020.db2.gz JHGMMIAMAZEULC-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932452 281030021 /nfs/dbraw/zinc/03/00/21/281030021.db2.gz JHGMMIAMAZEULC-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120686133 281123319 /nfs/dbraw/zinc/12/33/19/281123319.db2.gz MZELINPHZARZCX-AWEZNQCLSA-N 1 1 320.393 1.778 20 5 DDBDMO O=[N+]([O-])c1ccc(CSC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000128868657 281325004 /nfs/dbraw/zinc/32/50/04/281325004.db2.gz XTFXXWFCGXTSOG-AWEZNQCLSA-N 1 1 312.391 1.521 20 5 DDBDMO CC[N@H+]1CCc2c(cccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000362415307 300058138 /nfs/dbraw/zinc/05/81/38/300058138.db2.gz ZIZIZRDAGXHIMB-UHFFFAOYSA-N 1 1 315.333 1.948 20 5 DDBDMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362588267 300102882 /nfs/dbraw/zinc/10/28/82/300102882.db2.gz KHXCRGXFWCFQNU-CMPLNLGQSA-N 1 1 307.350 1.417 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000363616940 300288126 /nfs/dbraw/zinc/28/81/26/300288126.db2.gz YRKJPJBDRCESJV-HUUCEWRRSA-N 1 1 321.352 1.572 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957646 301109934 /nfs/dbraw/zinc/10/99/34/301109934.db2.gz FAFWREAWUAHILJ-GLQYFDAESA-N 1 1 319.361 1.559 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966165 301112380 /nfs/dbraw/zinc/11/23/80/301112380.db2.gz NLCHNDLEPWJAMO-CJNGLKHVSA-N 1 1 323.393 1.017 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000377963505 302257751 /nfs/dbraw/zinc/25/77/51/302257751.db2.gz UYDKLOYVNBJCGI-MCIONIFRSA-N 1 1 305.382 1.207 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCOCC1 ZINC000532566801 303290620 /nfs/dbraw/zinc/29/06/20/303290620.db2.gz NVQHSIPWGXGCRC-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000362090446 307013996 /nfs/dbraw/zinc/01/39/96/307013996.db2.gz NHQPITCKCCIFJK-DGCLKSJQSA-N 1 1 319.361 1.044 20 5 DDBDMO Cn1cc([C@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000518397985 307442077 /nfs/dbraw/zinc/44/20/77/307442077.db2.gz SLWUCSNKDYYQIM-KGLIPLIRSA-N 1 1 302.334 1.639 20 5 DDBDMO Cc1cnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000566117597 308043888 /nfs/dbraw/zinc/04/38/88/308043888.db2.gz VXDXADVTHGTRMK-LLVKDONJSA-N 1 1 323.374 1.889 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000567105347 308071414 /nfs/dbraw/zinc/07/14/14/308071414.db2.gz BQVPUARPGJKUJE-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451659894 533847193 /nfs/dbraw/zinc/84/71/93/533847193.db2.gz CMQAYFNMYLCWMG-BETUJISGSA-N 1 1 307.394 1.790 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414564654 527528460 /nfs/dbraw/zinc/52/84/60/527528460.db2.gz XVSSKKCMRHFVMZ-JQIVSHAJSA-N 1 1 306.362 1.673 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000433246382 528024788 /nfs/dbraw/zinc/02/47/88/528024788.db2.gz LNVPGDBPMAMSOU-AWEZNQCLSA-N 1 1 312.366 1.691 20 5 DDBDMO CC(C)[N@H+](Cc1cccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305712145 528956862 /nfs/dbraw/zinc/95/68/62/528956862.db2.gz YFLOAENFMACBBY-OAHLLOKOSA-N 1 1 319.365 1.458 20 5 DDBDMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736453912 598772548 /nfs/dbraw/zinc/77/25/48/598772548.db2.gz SSKATAFZRRGQAS-UHFFFAOYSA-N 1 1 320.357 1.314 20 5 DDBDMO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000820281953 606706068 /nfs/dbraw/zinc/70/60/68/606706068.db2.gz ZSYFWWKZHZLXJL-MRVPVSSYSA-N 1 1 318.341 1.065 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000820669005 606711577 /nfs/dbraw/zinc/71/15/77/606711577.db2.gz YKKPZWLSYHOSIN-BDAKNGLRSA-N 1 1 318.341 1.065 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000774205670 697854800 /nfs/dbraw/zinc/85/48/00/697854800.db2.gz ZWYGIBALAYHGBX-SNVBAGLBSA-N 1 1 303.322 1.618 20 5 DDBDMO COC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749939662 700193341 /nfs/dbraw/zinc/19/33/41/700193341.db2.gz ZQMLCBCQMBTDPL-UHFFFAOYSA-N 1 1 305.338 1.716 20 5 DDBDMO CO[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749949461 700193744 /nfs/dbraw/zinc/19/37/44/700193744.db2.gz FFSQZPZKGSGUKJ-LBPRGKRZSA-N 1 1 305.338 1.716 20 5 DDBDMO CO[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749949461 700193746 /nfs/dbraw/zinc/19/37/46/700193746.db2.gz FFSQZPZKGSGUKJ-LBPRGKRZSA-N 1 1 305.338 1.716 20 5 DDBDMO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000750051495 700200937 /nfs/dbraw/zinc/20/09/37/700200937.db2.gz ZBRLPLYCUJILOY-UHFFFAOYSA-N 1 1 321.333 1.349 20 5 DDBDMO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000778202614 698249319 /nfs/dbraw/zinc/24/93/19/698249319.db2.gz CZSPPAGYJMYGSF-NWDGAFQWSA-N 1 1 322.283 1.873 20 5 DDBDMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000778202614 698249320 /nfs/dbraw/zinc/24/93/20/698249320.db2.gz CZSPPAGYJMYGSF-NWDGAFQWSA-N 1 1 322.283 1.873 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000780867222 698565858 /nfs/dbraw/zinc/56/58/58/698565858.db2.gz NIYIPRMQGAXSKH-SECBINFHSA-N 1 1 319.408 1.419 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC(O)C1 ZINC000782543663 698736034 /nfs/dbraw/zinc/73/60/34/698736034.db2.gz IBYDZQIEAPWKTI-UHFFFAOYSA-N 1 1 311.313 1.518 20 5 DDBDMO C[C@@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782859646 698774040 /nfs/dbraw/zinc/77/40/40/698774040.db2.gz IQPDYVQCHGUEGB-LLVKDONJSA-N 1 1 307.354 1.254 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761075343 700839477 /nfs/dbraw/zinc/83/94/77/700839477.db2.gz FGXWOGKERPBQMX-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876571 700951646 /nfs/dbraw/zinc/95/16/46/700951646.db2.gz UYGFDXFLXQIWBJ-LSDHHAIUSA-N 1 1 312.366 1.346 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000766207792 701042369 /nfs/dbraw/zinc/04/23/69/701042369.db2.gz ZUZCRICEWQCUFA-NSHDSACASA-N 1 1 314.345 1.919 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000766207792 701042371 /nfs/dbraw/zinc/04/23/71/701042371.db2.gz ZUZCRICEWQCUFA-NSHDSACASA-N 1 1 314.345 1.919 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCOC1 ZINC000770675893 701289228 /nfs/dbraw/zinc/28/92/28/701289228.db2.gz GJWRUDKAQIQFQL-ZDUSSCGKSA-N 1 1 314.363 1.858 20 5 DDBDMO Cn1ncc2c1CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000839625965 701757525 /nfs/dbraw/zinc/75/75/25/701757525.db2.gz YVRNGRUXMDZMLS-MRXNPFEDSA-N 1 1 316.361 1.810 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000814928224 701772943 /nfs/dbraw/zinc/77/29/43/701772943.db2.gz BACBENHYZDMYDD-PHIMTYICSA-N 1 1 306.366 1.483 20 5 DDBDMO Cc1nn(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000840133213 701988229 /nfs/dbraw/zinc/98/82/29/701988229.db2.gz QPYRWKBOSNRNDE-WBMJQRKESA-N 1 1 315.377 1.846 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000868216838 702003589 /nfs/dbraw/zinc/00/35/89/702003589.db2.gz LRGYYXUALCKIIO-UHFFFAOYSA-N 1 1 324.381 1.281 20 5 DDBDMO Cc1nn(CN(C)C[C@H]2CCC[N@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000817371664 702358557 /nfs/dbraw/zinc/35/85/57/702358557.db2.gz BQERKUSTZGFWMK-GFCCVEGCSA-N 1 1 318.381 1.631 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000814173774 702490686 /nfs/dbraw/zinc/49/06/86/702490686.db2.gz QASSBLYOYYLOKV-RYKCVBHDSA-N 1 1 302.330 1.959 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000814173774 702490689 /nfs/dbraw/zinc/49/06/89/702490689.db2.gz QASSBLYOYYLOKV-RYKCVBHDSA-N 1 1 302.330 1.959 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC000843112602 702821151 /nfs/dbraw/zinc/82/11/51/702821151.db2.gz IRMFVOHOFICZPS-ZBFHGGJFSA-N 1 1 323.393 1.065 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879580627 706727220 /nfs/dbraw/zinc/72/72/20/706727220.db2.gz IPUKDFVUHYLSFV-FVQBIDKESA-N 1 1 305.378 1.654 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000866582118 706735131 /nfs/dbraw/zinc/73/51/31/706735131.db2.gz MPBFTZZHDKJXQH-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1F ZINC000866582118 706735134 /nfs/dbraw/zinc/73/51/34/706735134.db2.gz MPBFTZZHDKJXQH-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO CN(C(=O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879620953 706741421 /nfs/dbraw/zinc/74/14/21/706741421.db2.gz MVJWFCPTKJXLII-AWEZNQCLSA-N 1 1 321.377 1.650 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879620953 706741425 /nfs/dbraw/zinc/74/14/25/706741425.db2.gz MVJWFCPTKJXLII-AWEZNQCLSA-N 1 1 321.377 1.650 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848351488 703542040 /nfs/dbraw/zinc/54/20/40/703542040.db2.gz DMEYMQSLYYIMTC-LSDHHAIUSA-N 1 1 318.377 1.924 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000852297128 704000219 /nfs/dbraw/zinc/00/02/19/704000219.db2.gz FESLKWLKHLKYJP-OAHLLOKOSA-N 1 1 317.345 1.498 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818978642 704041062 /nfs/dbraw/zinc/04/10/62/704041062.db2.gz XUUTXXOVYBHXKP-NSHDSACASA-N 1 1 322.321 1.669 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818978642 704041064 /nfs/dbraw/zinc/04/10/64/704041064.db2.gz XUUTXXOVYBHXKP-NSHDSACASA-N 1 1 322.321 1.669 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000818977735 704041281 /nfs/dbraw/zinc/04/12/81/704041281.db2.gz LEVLANLFTNQCHZ-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000818977735 704041284 /nfs/dbraw/zinc/04/12/84/704041284.db2.gz LEVLANLFTNQCHZ-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871153022 704231592 /nfs/dbraw/zinc/23/15/92/704231592.db2.gz CRLMCKCXRVZBBN-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820272084 704250514 /nfs/dbraw/zinc/25/05/14/704250514.db2.gz JGIOFBOYOXQOLY-LCGIIJARSA-N 1 1 315.373 1.861 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000853586439 704276425 /nfs/dbraw/zinc/27/64/25/704276425.db2.gz RMQXRUCMLFGDFL-WCQYABFASA-N 1 1 302.334 1.870 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855159445 704471532 /nfs/dbraw/zinc/47/15/32/704471532.db2.gz AMUBXRNLFFMIBM-JTQLQIEISA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160102 705118397 /nfs/dbraw/zinc/11/83/97/705118397.db2.gz LCSMLUJYNVFPIH-OPQQBVKSSA-N 1 1 319.317 1.027 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160102 705118398 /nfs/dbraw/zinc/11/83/98/705118398.db2.gz LCSMLUJYNVFPIH-OPQQBVKSSA-N 1 1 319.317 1.027 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851036 705204193 /nfs/dbraw/zinc/20/41/93/705204193.db2.gz ZCGGRJPAIMYLEC-QWHCGFSZSA-N 1 1 319.361 1.669 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000823933274 705341795 /nfs/dbraw/zinc/34/17/95/705341795.db2.gz NQBMPQLMPAZNJG-RNCFNFMXSA-N 1 1 305.338 1.345 20 5 DDBDMO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000825664408 705710486 /nfs/dbraw/zinc/71/04/86/705710486.db2.gz FAAVRXXHNGPZMH-QMTHXVAHSA-N 1 1 307.350 1.227 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000826796583 705873604 /nfs/dbraw/zinc/87/36/04/705873604.db2.gz LJFDZXIWHZCJEQ-JTQLQIEISA-N 1 1 311.313 1.184 20 5 DDBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)CC1(C)COC1 ZINC000863298543 705894685 /nfs/dbraw/zinc/89/46/85/705894685.db2.gz FWZHNSCUZZGULV-UHFFFAOYSA-N 1 1 317.349 1.779 20 5 DDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)CC1(C)COC1 ZINC000863298543 705894689 /nfs/dbraw/zinc/89/46/89/705894689.db2.gz FWZHNSCUZZGULV-UHFFFAOYSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CC[NH2+]CC1=O ZINC000863657722 705978134 /nfs/dbraw/zinc/97/81/34/705978134.db2.gz DVMNYBBBKHLYQV-VIFPVBQESA-N 1 1 317.305 1.138 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@]1(O)CCc2ccccc21 ZINC000829338052 706320622 /nfs/dbraw/zinc/32/06/22/706320622.db2.gz QLFNREHEVAQVMW-INIZCTEOSA-N 1 1 316.361 1.557 20 5 DDBDMO CC(C)[C@H](O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251195 706338912 /nfs/dbraw/zinc/33/89/12/706338912.db2.gz HPDSOKAPRYAFNY-TZMCWYRMSA-N 1 1 308.382 1.883 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000830786859 706579413 /nfs/dbraw/zinc/57/94/13/706579413.db2.gz HTCMXZBOTWCGHJ-BETUJISGSA-N 1 1 315.414 1.390 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)O1 ZINC000830786859 706579416 /nfs/dbraw/zinc/57/94/16/706579416.db2.gz HTCMXZBOTWCGHJ-BETUJISGSA-N 1 1 315.414 1.390 20 5 DDBDMO O=C1CC2(CCC2)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000880169549 706899731 /nfs/dbraw/zinc/89/97/31/706899731.db2.gz DSNZJODQLHJZPD-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000880169549 706899733 /nfs/dbraw/zinc/89/97/33/706899733.db2.gz DSNZJODQLHJZPD-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC000834310878 707027487 /nfs/dbraw/zinc/02/74/87/707027487.db2.gz ZJEHKXJIMIGHKM-YGRLFVJLSA-N 1 1 323.324 1.275 20 5 DDBDMO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872032653 707283240 /nfs/dbraw/zinc/28/32/40/707283240.db2.gz XGOLQEHBFSVJGX-SECBINFHSA-N 1 1 304.343 1.819 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779841 707597014 /nfs/dbraw/zinc/59/70/14/707597014.db2.gz IWZUHWKZZBEOFM-VHSXEESVSA-N 1 1 307.379 1.977 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149919 707854833 /nfs/dbraw/zinc/85/48/33/707854833.db2.gz QVFGMSBKQPIDNR-WFASDCNBSA-N 1 1 321.377 1.476 20 5 DDBDMO Nc1ccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000838911594 708001809 /nfs/dbraw/zinc/00/18/09/708001809.db2.gz YAKLHZTVHUALBP-TXEJJXNPSA-N 1 1 321.333 1.197 20 5 DDBDMO Cc1ccnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222607 708260088 /nfs/dbraw/zinc/26/00/88/708260088.db2.gz WEXNUHHKLXNZFT-OLZOCXBDSA-N 1 1 306.366 1.334 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000885855208 708640352 /nfs/dbraw/zinc/64/03/52/708640352.db2.gz LCURRHHWJRFSGG-OAHLLOKOSA-N 1 1 319.361 1.578 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886114471 708700709 /nfs/dbraw/zinc/70/07/09/708700709.db2.gz PTKYOKHFXKWZIG-GFCCVEGCSA-N 1 1 322.365 1.059 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886114471 708700710 /nfs/dbraw/zinc/70/07/10/708700710.db2.gz PTKYOKHFXKWZIG-GFCCVEGCSA-N 1 1 322.365 1.059 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568812 708778015 /nfs/dbraw/zinc/77/80/15/708778015.db2.gz WWTDEZXCZGGUPV-FRRDWIJNSA-N 1 1 324.402 1.629 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000886628334 708798606 /nfs/dbraw/zinc/79/86/06/708798606.db2.gz NAUUPLSAABHCKC-GDBMZVCRSA-N 1 1 319.361 1.770 20 5 DDBDMO O=C(C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccccc1[N+](=O)[O-] ZINC000886628334 708798608 /nfs/dbraw/zinc/79/86/08/708798608.db2.gz NAUUPLSAABHCKC-GDBMZVCRSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H](CNC(=O)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000887404416 709037937 /nfs/dbraw/zinc/03/79/37/709037937.db2.gz DSANOKYOTSGVIA-CYBMUJFWSA-N 1 1 321.377 1.537 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1C ZINC000889636820 709568540 /nfs/dbraw/zinc/56/85/40/709568540.db2.gz HOINAFBUONVIDC-GXTWGEPZSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1C ZINC000889636820 709568545 /nfs/dbraw/zinc/56/85/45/709568545.db2.gz HOINAFBUONVIDC-GXTWGEPZSA-N 1 1 321.377 1.661 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910281245 709863494 /nfs/dbraw/zinc/86/34/94/709863494.db2.gz WUBRYEMGKNMRRW-JTQLQIEISA-N 1 1 308.338 1.252 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000891346537 710167038 /nfs/dbraw/zinc/16/70/38/710167038.db2.gz YRESJGTUXRFOAD-ZDUSSCGKSA-N 1 1 313.333 1.479 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000891508897 710222806 /nfs/dbraw/zinc/22/28/06/710222806.db2.gz IFDBSKNCYIPGOQ-CYBMUJFWSA-N 1 1 322.365 1.299 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438151 713196120 /nfs/dbraw/zinc/19/61/20/713196120.db2.gz SQQVRENQUJVQMG-DGCLKSJQSA-N 1 1 307.350 1.491 20 5 DDBDMO COc1c(O)ccc(CNCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000893355038 710614292 /nfs/dbraw/zinc/61/42/92/710614292.db2.gz BPJVAMSVMSDMTM-LLVKDONJSA-N 1 1 309.366 1.883 20 5 DDBDMO COc1c(O)ccc(C[NH2+]CCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000893355038 710614317 /nfs/dbraw/zinc/61/43/17/710614317.db2.gz BPJVAMSVMSDMTM-LLVKDONJSA-N 1 1 309.366 1.883 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913399330 713208255 /nfs/dbraw/zinc/20/82/55/713208255.db2.gz YAQBBFZUOVJJOJ-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894641749 711226862 /nfs/dbraw/zinc/22/68/62/711226862.db2.gz XIWGEZUGBVUUBY-LBPRGKRZSA-N 1 1 309.366 1.835 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000894995395 711356175 /nfs/dbraw/zinc/35/61/75/711356175.db2.gz CFLTZRCBWZRZFH-JTQLQIEISA-N 1 1 302.290 1.615 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896558124 711751426 /nfs/dbraw/zinc/75/14/26/711751426.db2.gz YDZHAUNCFOVBHJ-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000905675649 712114465 /nfs/dbraw/zinc/11/44/65/712114465.db2.gz HZQMESZXYNZYNF-ZBFHGGJFSA-N 1 1 314.345 1.649 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000905675649 712114467 /nfs/dbraw/zinc/11/44/67/712114467.db2.gz HZQMESZXYNZYNF-ZBFHGGJFSA-N 1 1 314.345 1.649 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000914432252 713395069 /nfs/dbraw/zinc/39/50/69/713395069.db2.gz MBOQTXNAQWAPLS-BETUJISGSA-N 1 1 318.377 1.702 20 5 DDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccco1 ZINC000917041565 713479456 /nfs/dbraw/zinc/47/94/56/713479456.db2.gz VOLPYLLYELZMSD-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)NCc1ccco1 ZINC000917041565 713479458 /nfs/dbraw/zinc/47/94/58/713479458.db2.gz VOLPYLLYELZMSD-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000929090340 713543767 /nfs/dbraw/zinc/54/37/67/713543767.db2.gz BDLYBPKHKQYGKA-ZWNOBZJWSA-N 1 1 320.349 1.771 20 5 DDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000930684315 713895899 /nfs/dbraw/zinc/89/58/99/713895899.db2.gz OVJANDGHURFVPJ-NWDGAFQWSA-N 1 1 301.387 1.746 20 5 DDBDMO COc1ccc(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000930770130 713916075 /nfs/dbraw/zinc/91/60/75/713916075.db2.gz VUFUOCDWENYWIM-MFKMUULPSA-N 1 1 320.349 1.771 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCn2cc[nH+]c21 ZINC000931524612 714119104 /nfs/dbraw/zinc/11/91/04/714119104.db2.gz TUVFXDCQFODREB-UHFFFAOYSA-N 1 1 301.306 1.558 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCn2cc[nH+]c21 ZINC000931525152 714119410 /nfs/dbraw/zinc/11/94/10/714119410.db2.gz YCIZNKKFQLBXEI-SNVBAGLBSA-N 1 1 301.306 1.639 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCn3cc[nH+]c32)c1 ZINC000931528224 714120239 /nfs/dbraw/zinc/12/02/39/714120239.db2.gz WPCCAEACGVSJAR-LBPRGKRZSA-N 1 1 304.306 1.051 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932009872 714234039 /nfs/dbraw/zinc/23/40/39/714234039.db2.gz IVQRCOOMWHDDAU-LBPRGKRZSA-N 1 1 308.334 1.668 20 5 DDBDMO CCO[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000932972012 714446629 /nfs/dbraw/zinc/44/66/29/714446629.db2.gz PQULAWRZERQIAO-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CCO[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000932972012 714446631 /nfs/dbraw/zinc/44/66/31/714446631.db2.gz PQULAWRZERQIAO-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO C[C@]12C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933709697 714653145 /nfs/dbraw/zinc/65/31/45/714653145.db2.gz UMDLCUOOHJWRKQ-QVKMIARZSA-N 1 1 320.393 1.520 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924990280 714718287 /nfs/dbraw/zinc/71/82/87/714718287.db2.gz UYVVSLXYMFQWSO-STQMWFEESA-N 1 1 321.377 1.315 20 5 DDBDMO C[C@](CO)([NH2+]CC[N+](=O)[O-])c1cccc(Br)c1 ZINC000934492281 714832961 /nfs/dbraw/zinc/83/29/61/714832961.db2.gz AVXSQEBUWWLVAX-LLVKDONJSA-N 1 1 303.156 1.523 20 5 DDBDMO CC(=O)N1CC[C@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@H]2CC1 ZINC000946418912 718775209 /nfs/dbraw/zinc/77/52/09/718775209.db2.gz KCSWGGRFIDKSKV-BETUJISGSA-N 1 1 321.381 1.019 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105459963 741849087 /nfs/dbraw/zinc/84/90/87/741849087.db2.gz NBEQBVXAYDYPMU-UHFFFAOYSA-N 1 1 323.397 1.226 20 5 DDBDMO CCOC(=O)[C@H](CCSC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978819 762147435 /nfs/dbraw/zinc/14/74/35/762147435.db2.gz UMZLJSCRDHAOSL-SRVKXCTJSA-N 1 1 304.412 1.706 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036293 762191769 /nfs/dbraw/zinc/19/17/69/762191769.db2.gz NGALCJUFXDFBQD-ZIAGYGMSSA-N 1 1 305.382 1.434 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097190268 756977816 /nfs/dbraw/zinc/97/78/16/756977816.db2.gz NEMHZIQMNPQIOV-OKILXGFUSA-N 1 1 320.393 1.994 20 5 DDBDMO CC(C)(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814299 769933613 /nfs/dbraw/zinc/93/36/13/769933613.db2.gz DBWTUBXISVNDDC-XJFOESAGSA-N 1 1 309.410 1.478 20 5 DDBDMO CC(C)(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814299 769933619 /nfs/dbraw/zinc/93/36/19/769933619.db2.gz DBWTUBXISVNDDC-XJFOESAGSA-N 1 1 309.410 1.478 20 5 DDBDMO CC(C)(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814299 769933625 /nfs/dbraw/zinc/93/36/25/769933625.db2.gz DBWTUBXISVNDDC-XJFOESAGSA-N 1 1 309.410 1.478 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097057229 771610923 /nfs/dbraw/zinc/61/09/23/771610923.db2.gz SSEQIWGTNMEXOK-JOCQHMNTSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1cc(NCCNC(=O)C[N@H+](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001094221929 775543878 /nfs/dbraw/zinc/54/38/78/775543878.db2.gz VMRSBYKLHSLDLH-UHFFFAOYSA-N 1 1 321.381 1.311 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](O)[C@@H](CO)C1)CC2 ZINC001172903299 776916128 /nfs/dbraw/zinc/91/61/28/776916128.db2.gz GNVMATFAQXNDJV-BFYDXBDKSA-N 1 1 320.389 1.517 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101705793 777416172 /nfs/dbraw/zinc/41/61/72/777416172.db2.gz XPUYROSBRXSMJK-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243235 778092617 /nfs/dbraw/zinc/09/26/17/778092617.db2.gz NJRVTAPAOYXVHT-HZMBPMFUSA-N 1 1 324.337 1.602 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243235 778092628 /nfs/dbraw/zinc/09/26/28/778092628.db2.gz NJRVTAPAOYXVHT-HZMBPMFUSA-N 1 1 324.337 1.602 20 5 DDBDMO Nc1ccc[nH+]c1N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001154781958 861447883 /nfs/dbraw/zinc/44/78/83/861447883.db2.gz ACZRUWJUHVHLNZ-UHFFFAOYSA-N 1 1 318.312 1.433 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001272512343 846250664 /nfs/dbraw/zinc/25/06/64/846250664.db2.gz AUVXNNFGSWBMHN-UHFFFAOYSA-N 1 1 313.277 1.161 20 5 DDBDMO CN1CCO[C@H](CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001155197298 861827062 /nfs/dbraw/zinc/82/70/62/861827062.db2.gz KXWXFYTVLUKVRD-MUBLQREKSA-N 1 1 321.381 1.265 20 5 DDBDMO CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273373541 849729181 /nfs/dbraw/zinc/72/91/81/849729181.db2.gz CLVMCFVMTGSWPN-CHWSQXEVSA-N 1 1 311.407 1.660 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC001141406192 860844029 /nfs/dbraw/zinc/84/40/29/860844029.db2.gz NYZTXIZZWKLUIS-LLVKDONJSA-N 1 1 309.370 1.558 20 5 DDBDMO C[NH2+][C@H]1CCN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001156658491 863237241 /nfs/dbraw/zinc/23/72/41/863237241.db2.gz CGZSANDMJZHMGU-CYBMUJFWSA-N 1 1 303.297 1.947 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC001329584582 863738765 /nfs/dbraw/zinc/73/87/65/863738765.db2.gz VKKATKDRCDDAAW-INIZCTEOSA-N 1 1 320.345 1.728 20 5 DDBDMO Cc1cc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC001159011087 865039981 /nfs/dbraw/zinc/03/99/81/865039981.db2.gz DCJSZMKFUPJFJF-UHFFFAOYSA-N 1 1 320.393 1.947 20 5 DDBDMO O=[N+]([O-])c1c(N2CCC[N@H+]3CCC[C@H]3C2)nc2ccccn21 ZINC001320811417 867048324 /nfs/dbraw/zinc/04/83/24/867048324.db2.gz XCBMDTJRDQPOAG-LBPRGKRZSA-N 1 1 301.350 1.917 20 5 DDBDMO CC(C)(C)[NH+]1CC(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001162225493 867358094 /nfs/dbraw/zinc/35/80/94/867358094.db2.gz IEVDTJWBGNSCQD-UHFFFAOYSA-N 1 1 300.746 1.776 20 5 DDBDMO C[NH+]1CCN(C(=O)CCN2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001321237940 867429658 /nfs/dbraw/zinc/42/96/58/867429658.db2.gz WTAUDFRBJQNGTM-UHFFFAOYSA-N 1 1 318.377 1.075 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@]2(C)CCC[N@H+](C)C2)n1 ZINC001162339567 867471847 /nfs/dbraw/zinc/47/18/47/867471847.db2.gz LYYOFRQKBGDFTQ-CQSZACIVSA-N 1 1 322.369 1.548 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1NCC[C@H]1CC[NH2+]CC1(F)F ZINC001162811579 867847705 /nfs/dbraw/zinc/84/77/05/867847705.db2.gz BYKHWXAUPPZRTE-MRVPVSSYSA-N 1 1 301.297 1.619 20 5 DDBDMO COC(=O)CC(C)(C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335183513 868117065 /nfs/dbraw/zinc/11/70/65/868117065.db2.gz VIZINMBIVDWPGV-ZDUSSCGKSA-N 1 1 310.350 1.902 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCC3(C2)OCCO3)ncc1[N+](=O)[O-] ZINC001166590460 870081778 /nfs/dbraw/zinc/08/17/78/870081778.db2.gz SJFYJVVDAGQYDA-HWKANZROSA-N 1 1 320.349 1.475 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCNC(=O)C2(C)C)ncc1[N+](=O)[O-] ZINC001166606520 870094762 /nfs/dbraw/zinc/09/47/62/870094762.db2.gz LGAFFWUXDLLQEN-FNORWQNLSA-N 1 1 319.365 1.237 20 5 DDBDMO COC(=O)c1cc(O[C@H]2CC[N@@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440880 882434360 /nfs/dbraw/zinc/43/43/60/882434360.db2.gz GWJHZQVYZHMNMD-VIFPVBQESA-N 1 1 310.306 1.473 20 5 DDBDMO CCCN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC001299832726 870942945 /nfs/dbraw/zinc/94/29/45/870942945.db2.gz FHJAFKCAYZTHGM-LLVKDONJSA-N 1 1 307.354 1.128 20 5 DDBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])nc3)C[C@H]1[N@H+]2C ZINC001226712420 882602205 /nfs/dbraw/zinc/60/22/05/882602205.db2.gz MLJMUDCBYIWFLM-SCUASFONSA-N 1 1 321.333 1.535 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@H]2C1 ZINC001348566013 874636254 /nfs/dbraw/zinc/63/62/54/874636254.db2.gz UGPXSQJVIQVLJA-XHVZSJERSA-N 1 1 309.341 1.978 20 5 DDBDMO CCC/C=C/CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227257415 882936752 /nfs/dbraw/zinc/93/67/52/882936752.db2.gz ADEGRQLELPQJBU-DPOFCPOHSA-N 1 1 309.410 1.979 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC001354178023 877793263 /nfs/dbraw/zinc/79/32/63/877793263.db2.gz NMTQCFSXVMQIPX-PHIMTYICSA-N 1 1 309.370 1.117 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC001354178023 877793283 /nfs/dbraw/zinc/79/32/83/877793283.db2.gz NMTQCFSXVMQIPX-PHIMTYICSA-N 1 1 309.370 1.117 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001355171691 878454066 /nfs/dbraw/zinc/45/40/66/878454066.db2.gz PIISSVFQHQWITE-WCFLWFBJSA-N 1 1 319.361 1.673 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1COC[C@@H]1C[N@H+](C)CCO1 ZINC001223449042 880966097 /nfs/dbraw/zinc/96/60/97/880966097.db2.gz VNCYULBNXBBCDJ-ZDUSSCGKSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1COC[C@@H]1C[N@@H+](C)CCO1 ZINC001223449042 880966105 /nfs/dbraw/zinc/96/61/05/880966105.db2.gz VNCYULBNXBBCDJ-ZDUSSCGKSA-N 1 1 324.333 1.229 20 5 DDBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cnccc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001228882865 883712480 /nfs/dbraw/zinc/71/24/80/883712480.db2.gz QYKDPVXUGPEZAB-VTPLQMEGSA-N 1 1 321.333 1.535 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2c(C(C)=O)cccc2[N+](=O)[O-])C1 ZINC001228978197 883755441 /nfs/dbraw/zinc/75/54/41/883755441.db2.gz WIVIVFQTSBCCRI-GFCCVEGCSA-N 1 1 308.334 1.897 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(C(C)=O)cccc2[N+](=O)[O-])C1 ZINC001228978197 883755453 /nfs/dbraw/zinc/75/54/53/883755453.db2.gz WIVIVFQTSBCCRI-GFCCVEGCSA-N 1 1 308.334 1.897 20 5 DDBDMO COC(=O)c1c(O[C@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC001229049981 883792720 /nfs/dbraw/zinc/79/27/20/883792720.db2.gz QCCYTWDTHOEEER-JTQLQIEISA-N 1 1 317.301 1.972 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229403438 883961498 /nfs/dbraw/zinc/96/14/98/883961498.db2.gz QPTJOYFUHIXLHI-GFCCVEGCSA-N 1 1 318.333 1.638 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc3c[nH]cc([N+](=O)[O-])c-3n1)C2 ZINC001230230567 884381277 /nfs/dbraw/zinc/38/12/77/884381277.db2.gz VBKPKOKFMYOMCF-ILWJIGKKSA-N 1 1 303.322 1.870 20 5 DDBDMO C[N@H+](CCCNC(=O)C(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001231018258 885139058 /nfs/dbraw/zinc/13/90/58/885139058.db2.gz VSLKLPXVQPKTKX-UHFFFAOYSA-N 1 1 307.322 1.860 20 5 DDBDMO C[N@@H+](CCCNC(=O)C(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001231018258 885139066 /nfs/dbraw/zinc/13/90/66/885139066.db2.gz VSLKLPXVQPKTKX-UHFFFAOYSA-N 1 1 307.322 1.860 20 5 DDBDMO C[N@H+](CCCNC(=O)c1ccn[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001234243735 887782806 /nfs/dbraw/zinc/78/28/06/887782806.db2.gz LAZFBEOPBPXDPJ-UHFFFAOYSA-N 1 1 323.378 1.631 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccn[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001234243735 887782821 /nfs/dbraw/zinc/78/28/21/887782821.db2.gz LAZFBEOPBPXDPJ-UHFFFAOYSA-N 1 1 323.378 1.631 20 5 DDBDMO CCOCCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235581943 888771739 /nfs/dbraw/zinc/77/17/39/888771739.db2.gz FFAZLPZNUVRKJY-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO [NH3+]C[C@@]1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580889 896512850 /nfs/dbraw/zinc/51/28/50/896512850.db2.gz HTTVOUBZSLYYPJ-NVXWUHKLSA-N 1 1 316.405 1.075 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001262725517 900337739 /nfs/dbraw/zinc/33/77/39/900337739.db2.gz YWPUOKDYXNPLGK-RIEGTJTDSA-N 1 1 318.377 1.707 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)ccc1[N+](=O)[O-] ZINC001262826284 900387611 /nfs/dbraw/zinc/38/76/11/900387611.db2.gz GXWCKKDOLBDUGO-JHJVBQTASA-N 1 1 319.361 1.673 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC001263221917 900539445 /nfs/dbraw/zinc/53/94/45/900539445.db2.gz GNIXKJDAVJFFMI-UHFFFAOYSA-N 1 1 323.397 1.192 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001294503421 915177970 /nfs/dbraw/zinc/17/79/70/915177970.db2.gz XBFWMEPQCJPFOI-NEPJUHHUSA-N 1 1 319.365 1.271 20 5 DDBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000278277169 214061655 /nfs/dbraw/zinc/06/16/55/214061655.db2.gz BHRYIJBITJOIGZ-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000278292693 214071821 /nfs/dbraw/zinc/07/18/21/214071821.db2.gz CTORGVGFVFUHLJ-UWVGGRQHSA-N 1 1 313.310 1.067 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000278292693 214071823 /nfs/dbraw/zinc/07/18/23/214071823.db2.gz CTORGVGFVFUHLJ-UWVGGRQHSA-N 1 1 313.310 1.067 20 5 DDBDMO COCC[N@@H+](C)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278450935 214161387 /nfs/dbraw/zinc/16/13/87/214161387.db2.gz LMLUVSRPHJCSQF-UHFFFAOYSA-N 1 1 307.354 1.851 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453610 214163039 /nfs/dbraw/zinc/16/30/39/214163039.db2.gz RDBVZNBEWGGPDU-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453610 214163041 /nfs/dbraw/zinc/16/30/41/214163041.db2.gz RDBVZNBEWGGPDU-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000278453610 214163042 /nfs/dbraw/zinc/16/30/42/214163042.db2.gz RDBVZNBEWGGPDU-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452073133 231289811 /nfs/dbraw/zinc/28/98/11/231289811.db2.gz YKGHVHLIJPLEDC-GWCFXTLKSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452073133 231289817 /nfs/dbraw/zinc/28/98/17/231289817.db2.gz YKGHVHLIJPLEDC-GWCFXTLKSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250803 529574984 /nfs/dbraw/zinc/57/49/84/529574984.db2.gz JKFUQLFBXJVLEQ-DZGCQCFKSA-N 1 1 310.350 1.181 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000614895648 362066476 /nfs/dbraw/zinc/06/64/76/362066476.db2.gz XMLAXXQMBRZSMI-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000614895648 362066480 /nfs/dbraw/zinc/06/64/80/362066480.db2.gz XMLAXXQMBRZSMI-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO COC(=O)c1cc(N2CC[N@@H+](C)C[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000615494269 362307032 /nfs/dbraw/zinc/30/70/32/362307032.db2.gz LSTBMBXALMFBRN-LLVKDONJSA-N 1 1 307.350 1.830 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000457392608 232047522 /nfs/dbraw/zinc/04/75/22/232047522.db2.gz DLLOFXXKVQEHIE-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181719124 199343658 /nfs/dbraw/zinc/34/36/58/199343658.db2.gz RTUDZMVWTDWDJC-JTQLQIEISA-N 1 1 313.329 1.765 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000358406309 299143976 /nfs/dbraw/zinc/14/39/76/299143976.db2.gz CWWGJYUZEAZYNL-NSHDSACASA-N 1 1 307.325 1.629 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1C ZINC000279777417 215138490 /nfs/dbraw/zinc/13/84/90/215138490.db2.gz CCVCHFIOLKJPLR-UHFFFAOYSA-N 1 1 319.361 1.904 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138226218 186015168 /nfs/dbraw/zinc/01/51/68/186015168.db2.gz NENGFHYCNVQBEL-SNVBAGLBSA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138226218 186015169 /nfs/dbraw/zinc/01/51/69/186015169.db2.gz NENGFHYCNVQBEL-SNVBAGLBSA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138226218 186015171 /nfs/dbraw/zinc/01/51/71/186015171.db2.gz NENGFHYCNVQBEL-SNVBAGLBSA-N 1 1 309.370 1.558 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000358483614 299168697 /nfs/dbraw/zinc/16/86/97/299168697.db2.gz XDVVMLSSRTVHFO-UHFFFAOYSA-N 1 1 305.338 1.185 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086625 215365093 /nfs/dbraw/zinc/36/50/93/215365093.db2.gz OETZZGNDABLOOQ-ZBFHGGJFSA-N 1 1 324.377 1.571 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172421860 198094411 /nfs/dbraw/zinc/09/44/11/198094411.db2.gz SWCNSXXKDFBYTH-UHFFFAOYSA-N 1 1 321.381 1.268 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000053678004 352664124 /nfs/dbraw/zinc/66/41/24/352664124.db2.gz ASQJICWDSOAIJD-GFCCVEGCSA-N 1 1 306.366 1.851 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052894357 352631078 /nfs/dbraw/zinc/63/10/78/352631078.db2.gz JNBHHLDVVKIRHJ-ZDUSSCGKSA-N 1 1 314.345 1.927 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063728046 352921349 /nfs/dbraw/zinc/92/13/49/352921349.db2.gz GUYABQOFFLWTIH-UHFFFAOYSA-N 1 1 323.397 1.433 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000061650262 352893169 /nfs/dbraw/zinc/89/31/69/352893169.db2.gz MRNJLXFDICYABA-UWVGGRQHSA-N 1 1 311.363 1.249 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000069489945 353162767 /nfs/dbraw/zinc/16/27/67/353162767.db2.gz CNUARBSWHTZKBC-GFCCVEGCSA-N 1 1 321.381 1.717 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069530432 353165726 /nfs/dbraw/zinc/16/57/26/353165726.db2.gz MFNWOOPFSQZOLW-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000074105422 353293042 /nfs/dbraw/zinc/29/30/42/353293042.db2.gz HCMCREPAJFPRHM-LBPRGKRZSA-N 1 1 307.350 1.435 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000174539691 198349926 /nfs/dbraw/zinc/34/99/26/198349926.db2.gz RTPQPLLRSVYIOA-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)C1 ZINC000174706294 198372994 /nfs/dbraw/zinc/37/29/94/198372994.db2.gz ILBHNDWVLRYTQX-NSHDSACASA-N 1 1 323.349 1.246 20 5 DDBDMO Cc1nn(C)c(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145681 353791570 /nfs/dbraw/zinc/79/15/70/353791570.db2.gz ZEUDTZFHPMEKEJ-VXGBXAGGSA-N 1 1 309.370 1.302 20 5 DDBDMO Cc1nn(C)c(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145681 353791573 /nfs/dbraw/zinc/79/15/73/353791573.db2.gz ZEUDTZFHPMEKEJ-VXGBXAGGSA-N 1 1 309.370 1.302 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000090554478 353795837 /nfs/dbraw/zinc/79/58/37/353795837.db2.gz SLKLQGARMROKPU-GFCCVEGCSA-N 1 1 317.349 1.359 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000108325939 353950820 /nfs/dbraw/zinc/95/08/20/353950820.db2.gz XYWNVYNCQAKTJV-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108299167 353949589 /nfs/dbraw/zinc/94/95/89/353949589.db2.gz WDWPHJIVBATRHB-GFCCVEGCSA-N 1 1 304.350 1.512 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000153753398 354200727 /nfs/dbraw/zinc/20/07/27/354200727.db2.gz GUAOYOSIEOWSOT-HNNXBMFYSA-N 1 1 305.378 1.936 20 5 DDBDMO CN(C(=O)C[N@H+](C)C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305215190 354469449 /nfs/dbraw/zinc/46/94/49/354469449.db2.gz ICMHYNKYIMXXEQ-AWEZNQCLSA-N 1 1 307.350 1.260 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305215190 354469452 /nfs/dbraw/zinc/46/94/52/354469452.db2.gz ICMHYNKYIMXXEQ-AWEZNQCLSA-N 1 1 307.350 1.260 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(N3CCC[N@H+](CCO)CC3)c2c1 ZINC000321661570 354533580 /nfs/dbraw/zinc/53/35/80/354533580.db2.gz TVAIUACHMCMYAY-UHFFFAOYSA-N 1 1 317.349 1.042 20 5 DDBDMO COCC[N@@H+](C)CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587192428 354881796 /nfs/dbraw/zinc/88/17/96/354881796.db2.gz SKQIYFAALSYDDQ-UHFFFAOYSA-N 1 1 312.370 1.050 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590345170 355075071 /nfs/dbraw/zinc/07/50/71/355075071.db2.gz UUZAHLAHPMUAJM-LLVKDONJSA-N 1 1 308.338 1.252 20 5 DDBDMO Cc1c(C(=O)N2CC(C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000590392079 355084258 /nfs/dbraw/zinc/08/42/58/355084258.db2.gz LHQWBQXCGJUAAA-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000590566934 355115043 /nfs/dbraw/zinc/11/50/43/355115043.db2.gz SVJYMRHYZUMJDY-TVQRCGJNSA-N 1 1 317.349 1.636 20 5 DDBDMO C[NH+](C)CCn1cc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000590687351 355147760 /nfs/dbraw/zinc/14/77/60/355147760.db2.gz YLPTYAIXMLQIQX-UHFFFAOYSA-N 1 1 315.337 1.395 20 5 DDBDMO CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591037764 355236990 /nfs/dbraw/zinc/23/69/90/355236990.db2.gz ZMZDFWANZDYMPK-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591037764 355236992 /nfs/dbraw/zinc/23/69/92/355236992.db2.gz ZMZDFWANZDYMPK-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591037764 355236994 /nfs/dbraw/zinc/23/69/94/355236994.db2.gz ZMZDFWANZDYMPK-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593060282 355783760 /nfs/dbraw/zinc/78/37/60/355783760.db2.gz ZYKUJZVPGOESJM-IACUBPJLSA-N 1 1 312.370 1.042 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061323 355784101 /nfs/dbraw/zinc/78/41/01/355784101.db2.gz IOOPWKWXSNSPQH-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061323 355784102 /nfs/dbraw/zinc/78/41/02/355784102.db2.gz IOOPWKWXSNSPQH-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593337951 355857398 /nfs/dbraw/zinc/85/73/98/355857398.db2.gz HMTUUAGARNYMTK-UHFFFAOYSA-N 1 1 322.365 1.173 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593337951 355857402 /nfs/dbraw/zinc/85/74/02/355857402.db2.gz HMTUUAGARNYMTK-UHFFFAOYSA-N 1 1 322.365 1.173 20 5 DDBDMO COCCOCC[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000593516772 355910641 /nfs/dbraw/zinc/91/06/41/355910641.db2.gz GUIMOTLKVLOYQC-UHFFFAOYSA-N 1 1 324.381 1.083 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593589300 355935401 /nfs/dbraw/zinc/93/54/01/355935401.db2.gz RNMGIZBSLRAAIC-UHFFFAOYSA-N 1 1 307.325 1.655 20 5 DDBDMO [NH3+]CCCOC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593725782 355977012 /nfs/dbraw/zinc/97/70/12/355977012.db2.gz VOXIFIYAFDISMU-UHFFFAOYSA-N 1 1 309.366 1.630 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000593762840 355989957 /nfs/dbraw/zinc/98/99/57/355989957.db2.gz XGGGUAQWQWOKPZ-UHFFFAOYSA-N 1 1 308.382 1.885 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000593994748 356081994 /nfs/dbraw/zinc/08/19/94/356081994.db2.gz JBIHBEHEJQTNAQ-CYBMUJFWSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000593994748 356081996 /nfs/dbraw/zinc/08/19/96/356081996.db2.gz JBIHBEHEJQTNAQ-CYBMUJFWSA-N 1 1 307.350 1.656 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC[C@@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000593998410 356083007 /nfs/dbraw/zinc/08/30/07/356083007.db2.gz JZQPONISBHXGJL-INIZCTEOSA-N 1 1 319.361 1.848 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000593998410 356083011 /nfs/dbraw/zinc/08/30/11/356083011.db2.gz JZQPONISBHXGJL-INIZCTEOSA-N 1 1 319.361 1.848 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000594014453 356086890 /nfs/dbraw/zinc/08/68/90/356086890.db2.gz DSXLYSZZRUDDDH-HUUCEWRRSA-N 1 1 324.377 1.571 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204728 356139182 /nfs/dbraw/zinc/13/91/82/356139182.db2.gz XSYHNFBNPQEGOI-VXGBXAGGSA-N 1 1 306.366 1.680 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1n[nH]c(C)n1 ZINC000595033450 356375167 /nfs/dbraw/zinc/37/51/67/356375167.db2.gz LVXJBAAUKWBULA-SECBINFHSA-N 1 1 305.338 1.923 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nnc(C)[nH]1 ZINC000595033450 356375168 /nfs/dbraw/zinc/37/51/68/356375168.db2.gz LVXJBAAUKWBULA-SECBINFHSA-N 1 1 305.338 1.923 20 5 DDBDMO Cc1noc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1[N+](=O)[O-] ZINC000595504302 356521515 /nfs/dbraw/zinc/52/15/15/356521515.db2.gz BJGSSFBCARTKRR-UONOGXRCSA-N 1 1 311.338 1.301 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000595732270 356626123 /nfs/dbraw/zinc/62/61/23/356626123.db2.gz KTSCUFBGIORBSZ-HBYGRHMLSA-N 1 1 322.361 1.830 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595765844 356644228 /nfs/dbraw/zinc/64/42/28/356644228.db2.gz KGJMEMQSUYSDII-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595768240 356644898 /nfs/dbraw/zinc/64/48/98/356644898.db2.gz FWCWDMJZQBLPDO-GXFFZTMASA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759903 356641116 /nfs/dbraw/zinc/64/11/16/356641116.db2.gz QVYOBNCNFLYFCW-BLLLJJGKSA-N 1 1 319.361 1.892 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836995 356672352 /nfs/dbraw/zinc/67/23/52/356672352.db2.gz ZQIPEGFZQVMEAB-HZSPNIEDSA-N 1 1 322.361 1.303 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000595830709 356668168 /nfs/dbraw/zinc/66/81/68/356668168.db2.gz LGUJHLHFENSEBX-FZMZJTMJSA-N 1 1 320.345 1.930 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876235 356688352 /nfs/dbraw/zinc/68/83/52/356688352.db2.gz RCSWIXFKNAAHQK-LRDDRELGSA-N 1 1 321.377 1.874 20 5 DDBDMO CCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064901 356758769 /nfs/dbraw/zinc/75/87/69/356758769.db2.gz CFRIQBDCNDIZED-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000596064901 356758773 /nfs/dbraw/zinc/75/87/73/356758773.db2.gz CFRIQBDCNDIZED-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091135 356768800 /nfs/dbraw/zinc/76/88/00/356768800.db2.gz WBAQOBARJUHHLH-JTQLQIEISA-N 1 1 304.350 1.603 20 5 DDBDMO Cc1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596538616 356911061 /nfs/dbraw/zinc/91/10/61/356911061.db2.gz MVFIBNKFMPAREO-CYBMUJFWSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859016 357361581 /nfs/dbraw/zinc/36/15/81/357361581.db2.gz PYBRHMJKHBMVGF-SNVBAGLBSA-N 1 1 309.370 1.239 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598341816 357544048 /nfs/dbraw/zinc/54/40/48/357544048.db2.gz GLCYCXTYRZPEGH-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000598464234 357591841 /nfs/dbraw/zinc/59/18/41/357591841.db2.gz CLUHDOKWIBSJTK-UHFFFAOYSA-N 1 1 311.386 1.661 20 5 DDBDMO O=c1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599641260 358003181 /nfs/dbraw/zinc/00/31/81/358003181.db2.gz METOZIFGLVUBQG-LBPRGKRZSA-N 1 1 304.310 1.124 20 5 DDBDMO O=c1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599641260 358003184 /nfs/dbraw/zinc/00/31/84/358003184.db2.gz METOZIFGLVUBQG-LBPRGKRZSA-N 1 1 304.310 1.124 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000599644075 358003686 /nfs/dbraw/zinc/00/36/86/358003686.db2.gz HVFUJOPYGMQLFC-PHIMTYICSA-N 1 1 323.349 1.178 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599670430 358018459 /nfs/dbraw/zinc/01/84/59/358018459.db2.gz FNOPJDFWEXEUPW-TXEJJXNPSA-N 1 1 307.350 1.544 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599680547 358023036 /nfs/dbraw/zinc/02/30/36/358023036.db2.gz GBCFAVZVJLQRTJ-KSZJFAHPSA-N 1 1 322.361 1.180 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)nc2c1 ZINC000599682651 358023663 /nfs/dbraw/zinc/02/36/63/358023663.db2.gz GPYVOMSYEZQQIO-JBCWJZNQSA-N 1 1 302.334 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)nc2c1 ZINC000599682651 358023665 /nfs/dbraw/zinc/02/36/65/358023665.db2.gz GPYVOMSYEZQQIO-JBCWJZNQSA-N 1 1 302.334 1.816 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000180300042 199143247 /nfs/dbraw/zinc/14/32/47/199143247.db2.gz NFOGWKMMHHMQQV-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@]3(O)CCSC3)c2c1 ZINC000601123824 358411416 /nfs/dbraw/zinc/41/14/16/358411416.db2.gz LCAFPCPFLSAVFA-CQSZACIVSA-N 1 1 305.359 1.845 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131510 358415206 /nfs/dbraw/zinc/41/52/06/358415206.db2.gz ZMDDOVADHKCTCQ-ZYHUDNBSSA-N 1 1 303.318 1.729 20 5 DDBDMO O=C1CCCN1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601184258 358437598 /nfs/dbraw/zinc/43/75/98/358437598.db2.gz KLABAMWNEBAFHU-UHFFFAOYSA-N 1 1 300.318 1.599 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000601646961 358635007 /nfs/dbraw/zinc/63/50/07/358635007.db2.gz KIHXAZNRVDKKNZ-GXFFZTMASA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602037463 358786888 /nfs/dbraw/zinc/78/68/88/358786888.db2.gz BAGDBMVBTDKVTH-AWEZNQCLSA-N 1 1 306.366 1.607 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000602140995 358841139 /nfs/dbraw/zinc/84/11/39/358841139.db2.gz KCTBZYBDXMLQTK-GFCCVEGCSA-N 1 1 321.381 1.297 20 5 DDBDMO CCN1CCN([C@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602513322 359021378 /nfs/dbraw/zinc/02/13/78/359021378.db2.gz BZTSRZHBKNWOTA-OAHLLOKOSA-N 1 1 320.437 1.753 20 5 DDBDMO Cn1cc(CN2CC[N@@H+](C)CC23CCCCC3)c([N+](=O)[O-])n1 ZINC000602779713 359185002 /nfs/dbraw/zinc/18/50/02/359185002.db2.gz NOUVXWGONDYSRV-UHFFFAOYSA-N 1 1 307.398 1.779 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000602781562 359186099 /nfs/dbraw/zinc/18/60/99/359186099.db2.gz TVCIFOBKMGTBAA-ZDUSSCGKSA-N 1 1 318.377 1.983 20 5 DDBDMO CN1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1=O ZINC000602715567 359143849 /nfs/dbraw/zinc/14/38/49/359143849.db2.gz PPSIGOZTTLTEMR-NSHDSACASA-N 1 1 318.333 1.789 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1=O ZINC000602715567 359143854 /nfs/dbraw/zinc/14/38/54/359143854.db2.gz PPSIGOZTTLTEMR-NSHDSACASA-N 1 1 318.333 1.789 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000602873307 359257410 /nfs/dbraw/zinc/25/74/10/359257410.db2.gz IVTBKGYKECRNED-ZDUSSCGKSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602873307 359257413 /nfs/dbraw/zinc/25/74/13/359257413.db2.gz IVTBKGYKECRNED-ZDUSSCGKSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000602873307 359257415 /nfs/dbraw/zinc/25/74/15/359257415.db2.gz IVTBKGYKECRNED-ZDUSSCGKSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1nn(CCC(=O)N(C)CC[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000186767136 200007517 /nfs/dbraw/zinc/00/75/17/200007517.db2.gz NEGIUSZWRZYVQV-UHFFFAOYSA-N 1 1 323.397 1.351 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000609347445 360299560 /nfs/dbraw/zinc/29/95/60/360299560.db2.gz KZBWNCUZHQBOJO-LBPRGKRZSA-N 1 1 322.365 1.087 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609478984 360311667 /nfs/dbraw/zinc/31/16/67/360311667.db2.gz AHTAGLBHKYBWAI-NSHDSACASA-N 1 1 321.381 1.485 20 5 DDBDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610859613 360554562 /nfs/dbraw/zinc/55/45/62/360554562.db2.gz BRHXMGXWDQWLIA-UHFFFAOYSA-N 1 1 309.366 1.941 20 5 DDBDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000610859613 360554565 /nfs/dbraw/zinc/55/45/65/360554565.db2.gz BRHXMGXWDQWLIA-UHFFFAOYSA-N 1 1 309.366 1.941 20 5 DDBDMO CCc1nn(C)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000611280636 360687743 /nfs/dbraw/zinc/68/77/43/360687743.db2.gz CAMLAWVNKBVCHZ-LBPRGKRZSA-N 1 1 323.397 1.192 20 5 DDBDMO CCOC(=O)C[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611237148 360672843 /nfs/dbraw/zinc/67/28/43/360672843.db2.gz ABZVBMOEDKMAOV-OAHLLOKOSA-N 1 1 322.361 1.873 20 5 DDBDMO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193558600 201074883 /nfs/dbraw/zinc/07/48/83/201074883.db2.gz WKGPLULPBKGMAC-LDYMZIIASA-N 1 1 303.322 1.341 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194921124 201312409 /nfs/dbraw/zinc/31/24/09/201312409.db2.gz LDNBQDJBCQBAJT-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000619578848 364070896 /nfs/dbraw/zinc/07/08/96/364070896.db2.gz SAORSRHOXZELHL-LLVKDONJSA-N 1 1 309.370 1.193 20 5 DDBDMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534236 193266693 /nfs/dbraw/zinc/26/66/93/193266693.db2.gz BLVZKPAZVVMCHV-CYBMUJFWSA-N 1 1 316.365 1.718 20 5 DDBDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173399885 296146925 /nfs/dbraw/zinc/14/69/25/296146925.db2.gz VAEBQHUEWHQDFD-UONOGXRCSA-N 1 1 306.410 1.881 20 5 DDBDMO C[N@@H+](CCCn1ccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684224 209124844 /nfs/dbraw/zinc/12/48/44/209124844.db2.gz KLFMPZWVTAARAW-OAHLLOKOSA-N 1 1 304.350 1.847 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000159918913 248313549 /nfs/dbraw/zinc/31/35/49/248313549.db2.gz RUVOMUIPMDZAMS-GFCCVEGCSA-N 1 1 310.350 1.829 20 5 DDBDMO CN1CCN(CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174719862 248378736 /nfs/dbraw/zinc/37/87/36/248378736.db2.gz JTBDVIKBPWKQSI-UHFFFAOYSA-N 1 1 306.410 1.664 20 5 DDBDMO CN1CCN(CCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174719862 248378741 /nfs/dbraw/zinc/37/87/41/248378741.db2.gz JTBDVIKBPWKQSI-UHFFFAOYSA-N 1 1 306.410 1.664 20 5 DDBDMO C[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000105177123 194082146 /nfs/dbraw/zinc/08/21/46/194082146.db2.gz NTOVWQBMERYRCR-GFCCVEGCSA-N 1 1 320.393 1.919 20 5 DDBDMO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670296 250084899 /nfs/dbraw/zinc/08/48/99/250084899.db2.gz BQPFSPNPUCROKD-NWDGAFQWSA-N 1 1 321.381 1.269 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000338677710 250087429 /nfs/dbraw/zinc/08/74/29/250087429.db2.gz RFUPWIUWBBTOBS-LBPRGKRZSA-N 1 1 323.397 1.375 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000106397045 194206371 /nfs/dbraw/zinc/20/63/71/194206371.db2.gz OSUSBQCFCWVRAR-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332870 218386122 /nfs/dbraw/zinc/38/61/22/218386122.db2.gz OCIHLDHHLDHTFN-INIZCTEOSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332870 218386125 /nfs/dbraw/zinc/38/61/25/218386125.db2.gz OCIHLDHHLDHTFN-INIZCTEOSA-N 1 1 322.361 1.855 20 5 DDBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000128736945 284874020 /nfs/dbraw/zinc/87/40/20/284874020.db2.gz VQBBXXLRHUCNSZ-HNNXBMFYSA-N 1 1 318.377 1.386 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[NH2+]Cc3ccccc32)c1[N+](=O)[O-] ZINC000269188421 207309161 /nfs/dbraw/zinc/30/91/61/207309161.db2.gz VNNJQBZEHTTWFG-UHFFFAOYSA-N 1 1 315.333 1.387 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000065670410 184376452 /nfs/dbraw/zinc/37/64/52/184376452.db2.gz WSBGAHFOXXMEMD-UHFFFAOYSA-N 1 1 309.322 1.079 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155354134 197047067 /nfs/dbraw/zinc/04/70/67/197047067.db2.gz IPIWDDOHYMRRPW-LLVKDONJSA-N 1 1 322.365 1.380 20 5 DDBDMO C[N@@H+](C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000352708227 285243862 /nfs/dbraw/zinc/24/38/62/285243862.db2.gz FOKFKODTDXQGEJ-HNNXBMFYSA-N 1 1 321.377 1.244 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000299357636 533328744 /nfs/dbraw/zinc/32/87/44/533328744.db2.gz UDYQTKMKNATNJJ-LBPRGKRZSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000569115929 304337001 /nfs/dbraw/zinc/33/70/01/304337001.db2.gz ARGXHVUPJIMMDD-XJKSGUPXSA-N 1 1 318.421 1.808 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000072061741 406872557 /nfs/dbraw/zinc/87/25/57/406872557.db2.gz PZNZFAXZPFRYRO-NSHDSACASA-N 1 1 309.370 1.477 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046988448 407068363 /nfs/dbraw/zinc/06/83/63/407068363.db2.gz UZIGPMSWTFQQPD-ZDUSSCGKSA-N 1 1 323.397 1.562 20 5 DDBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054125791 407179431 /nfs/dbraw/zinc/17/94/31/407179431.db2.gz QKDWFAWXLPWXSS-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055407958 407203378 /nfs/dbraw/zinc/20/33/78/407203378.db2.gz XOGZHPKFVRGPIG-VXGBXAGGSA-N 1 1 309.370 1.028 20 5 DDBDMO CC[N@@H+](CCNC(=O)CCn1cc([N+](=O)[O-])nc1C)C(C)C ZINC000102478804 407323502 /nfs/dbraw/zinc/32/35/02/407323502.db2.gz SVZDAELAEGSVJJ-UHFFFAOYSA-N 1 1 311.386 1.336 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000067807055 407285353 /nfs/dbraw/zinc/28/53/53/407285353.db2.gz FUSKEUMIKJGYAS-JTQLQIEISA-N 1 1 309.322 1.274 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000067807055 407285355 /nfs/dbraw/zinc/28/53/55/407285355.db2.gz FUSKEUMIKJGYAS-JTQLQIEISA-N 1 1 309.322 1.274 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000271012744 407469566 /nfs/dbraw/zinc/46/95/66/407469566.db2.gz ZWMNPPCSHVPJIQ-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000271012744 407469571 /nfs/dbraw/zinc/46/95/71/407469571.db2.gz ZWMNPPCSHVPJIQ-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000112925420 407447805 /nfs/dbraw/zinc/44/78/05/407447805.db2.gz NSBHRICORPPKQL-UHFFFAOYSA-N 1 1 324.337 1.801 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000114203865 407552294 /nfs/dbraw/zinc/55/22/94/407552294.db2.gz UTWJHLLXTGODPX-SECBINFHSA-N 1 1 318.276 1.771 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000114203865 407552298 /nfs/dbraw/zinc/55/22/98/407552298.db2.gz UTWJHLLXTGODPX-SECBINFHSA-N 1 1 318.276 1.771 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000170912351 407552556 /nfs/dbraw/zinc/55/25/56/407552556.db2.gz WAQUFZKNRYJRHV-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000170912351 407552562 /nfs/dbraw/zinc/55/25/62/407552562.db2.gz WAQUFZKNRYJRHV-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266543045 407552963 /nfs/dbraw/zinc/55/29/63/407552963.db2.gz QWAWGEZLDOUFMY-GFCCVEGCSA-N 1 1 310.350 1.951 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111905 407530509 /nfs/dbraw/zinc/53/05/09/407530509.db2.gz VGVKNXXJQLGLJW-KOLCDFICSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111905 407530511 /nfs/dbraw/zinc/53/05/11/407530511.db2.gz VGVKNXXJQLGLJW-KOLCDFICSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111905 407530516 /nfs/dbraw/zinc/53/05/16/407530516.db2.gz VGVKNXXJQLGLJW-KOLCDFICSA-N 1 1 309.370 1.429 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114062618 407536615 /nfs/dbraw/zinc/53/66/15/407536615.db2.gz LVUMSQJTJSQXSU-QWRGUYRKSA-N 1 1 323.349 1.663 20 5 DDBDMO COc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000171104461 407597854 /nfs/dbraw/zinc/59/78/54/407597854.db2.gz CFRIQMDDWBTZLV-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO CC(C)(CC(N)=O)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000186253933 407619105 /nfs/dbraw/zinc/61/91/05/407619105.db2.gz ODQZDUSVAQYDGB-UHFFFAOYSA-N 1 1 319.321 1.388 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397325 407681118 /nfs/dbraw/zinc/68/11/18/407681118.db2.gz FHWBLZNPIBGIQU-JTQLQIEISA-N 1 1 321.337 1.506 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171665967 407735509 /nfs/dbraw/zinc/73/55/09/407735509.db2.gz ARXZETMKNIRIDY-NSHDSACASA-N 1 1 321.381 1.581 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000153195447 407776743 /nfs/dbraw/zinc/77/67/43/407776743.db2.gz XBZSQMVLVPEEKY-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186837528 407781587 /nfs/dbraw/zinc/78/15/87/407781587.db2.gz SWWWZSVTJKUCSY-UHFFFAOYSA-N 1 1 312.395 1.389 20 5 DDBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237967217 407858151 /nfs/dbraw/zinc/85/81/51/407858151.db2.gz BPUBVGYFEJBYDB-ULKQDVFKSA-N 1 1 315.333 1.484 20 5 DDBDMO [NH3+]C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000238083525 407887230 /nfs/dbraw/zinc/88/72/30/407887230.db2.gz FQUHQKYKKMEDMO-VIFPVBQESA-N 1 1 303.322 1.282 20 5 DDBDMO O=C(CC[N@H+]1CCc2n[nH]cc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000118854337 407952865 /nfs/dbraw/zinc/95/28/65/407952865.db2.gz OSZCPDBHFAVUDL-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268245210 407967115 /nfs/dbraw/zinc/96/71/15/407967115.db2.gz VYBAKZSZCWKZTC-BXKDBHETSA-N 1 1 321.381 1.483 20 5 DDBDMO CN1CCN(CCC[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174726747 407984040 /nfs/dbraw/zinc/98/40/40/407984040.db2.gz JYRJLVJUXDUQMA-UHFFFAOYSA-N 1 1 320.437 1.707 20 5 DDBDMO CN1CCN(CCC[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174726747 407984045 /nfs/dbraw/zinc/98/40/45/407984045.db2.gz JYRJLVJUXDUQMA-UHFFFAOYSA-N 1 1 320.437 1.707 20 5 DDBDMO C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098088 408056546 /nfs/dbraw/zinc/05/65/46/408056546.db2.gz DQGGPJRCOLHZJQ-CYBMUJFWSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098088 408056555 /nfs/dbraw/zinc/05/65/55/408056555.db2.gz DQGGPJRCOLHZJQ-CYBMUJFWSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098088 408056562 /nfs/dbraw/zinc/05/65/62/408056562.db2.gz DQGGPJRCOLHZJQ-CYBMUJFWSA-N 1 1 323.393 1.361 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000245764863 408063996 /nfs/dbraw/zinc/06/39/96/408063996.db2.gz JEZKNLTWQLCCKI-VHSXEESVSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000245764863 408064006 /nfs/dbraw/zinc/06/40/06/408064006.db2.gz JEZKNLTWQLCCKI-VHSXEESVSA-N 1 1 311.338 1.243 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154863179 408097554 /nfs/dbraw/zinc/09/75/54/408097554.db2.gz MPIRBIBVYGPGJR-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO C[N@H+](Cc1cccnc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250996 408106199 /nfs/dbraw/zinc/10/61/99/408106199.db2.gz VKRYPAIRIDIRFO-AWEZNQCLSA-N 1 1 317.345 1.862 20 5 DDBDMO CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182266304 408111316 /nfs/dbraw/zinc/11/13/16/408111316.db2.gz QFWBTHHABKBDED-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182266304 408111323 /nfs/dbraw/zinc/11/13/23/408111323.db2.gz QFWBTHHABKBDED-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO COC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339201 408157930 /nfs/dbraw/zinc/15/79/30/408157930.db2.gz NIMCEMDYUYQEKH-OLZOCXBDSA-N 1 1 310.350 1.303 20 5 DDBDMO CCOCC[N@@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346896 408163391 /nfs/dbraw/zinc/16/33/91/408163391.db2.gz OROZCSRQEZFXAE-CYBMUJFWSA-N 1 1 312.366 1.693 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000140404260 408176284 /nfs/dbraw/zinc/17/62/84/408176284.db2.gz XYBBPFQOUZZIHP-QWRGUYRKSA-N 1 1 311.386 1.628 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155600730 408187679 /nfs/dbraw/zinc/18/76/79/408187679.db2.gz USXGFZMXALEVJX-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO C[C@H]1CSCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000190451036 408247914 /nfs/dbraw/zinc/24/79/14/408247914.db2.gz QSXMNISTQQEOBK-SNVBAGLBSA-N 1 1 309.391 1.879 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284684 408252812 /nfs/dbraw/zinc/25/28/12/408252812.db2.gz MXPBYTSBNKWDRY-KBPBESRZSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284684 408252816 /nfs/dbraw/zinc/25/28/16/408252816.db2.gz MXPBYTSBNKWDRY-KBPBESRZSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284684 408252823 /nfs/dbraw/zinc/25/28/23/408252823.db2.gz MXPBYTSBNKWDRY-KBPBESRZSA-N 1 1 305.334 1.657 20 5 DDBDMO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822312 408258277 /nfs/dbraw/zinc/25/82/77/408258277.db2.gz PLXJOWNWGVAQCV-WDEREUQCSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822312 408258282 /nfs/dbraw/zinc/25/82/82/408258282.db2.gz PLXJOWNWGVAQCV-WDEREUQCSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822312 408258285 /nfs/dbraw/zinc/25/82/85/408258285.db2.gz PLXJOWNWGVAQCV-WDEREUQCSA-N 1 1 321.381 1.701 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263666835 408198573 /nfs/dbraw/zinc/19/85/73/408198573.db2.gz LCJKLHUCUXTDBR-QWRGUYRKSA-N 1 1 323.397 1.731 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000176190343 408303037 /nfs/dbraw/zinc/30/30/37/408303037.db2.gz WTKFYEVYACLCFN-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000191028475 408360943 /nfs/dbraw/zinc/36/09/43/408360943.db2.gz VMBBTYYNGPJCPX-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209118 408354905 /nfs/dbraw/zinc/35/49/05/408354905.db2.gz IIRBZIFUPCGPBY-QJPTWQEYSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209118 408354907 /nfs/dbraw/zinc/35/49/07/408354907.db2.gz IIRBZIFUPCGPBY-QJPTWQEYSA-N 1 1 307.350 1.625 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173495181 162342972 /nfs/dbraw/zinc/34/29/72/162342972.db2.gz FTUSMSKCRPNSEQ-GFCCVEGCSA-N 1 1 310.350 1.687 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183560074 408440417 /nfs/dbraw/zinc/44/04/17/408440417.db2.gz ZSKUBMASTYDLDP-CYBMUJFWSA-N 1 1 307.354 1.794 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270045769 408480952 /nfs/dbraw/zinc/48/09/52/408480952.db2.gz BLNUWMBCSQLXOE-AOOOYVTPSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000183927718 408509491 /nfs/dbraw/zinc/50/94/91/408509491.db2.gz LMFATYZBRXUZCH-NSHDSACASA-N 1 1 322.390 1.949 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000160853094 408529800 /nfs/dbraw/zinc/52/98/00/408529800.db2.gz ZWJLJSLNDFXJLZ-ABAIWWIYSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000191705759 408472145 /nfs/dbraw/zinc/47/21/45/408472145.db2.gz DKLXJJILJAMWGX-UHFFFAOYSA-N 1 1 308.338 1.039 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251655659 408783547 /nfs/dbraw/zinc/78/35/47/408783547.db2.gz HTRFWMIFWMOBLC-HEHGZKQESA-N 1 1 324.377 1.691 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000285924742 408889554 /nfs/dbraw/zinc/88/95/54/408889554.db2.gz UPXWZPNTQUWKED-KGLIPLIRSA-N 1 1 323.324 1.279 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190840417 163161366 /nfs/dbraw/zinc/16/13/66/163161366.db2.gz AHQVSVJMRYQPRD-UTUOFQBUSA-N 1 1 307.350 1.482 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190840417 163161369 /nfs/dbraw/zinc/16/13/69/163161369.db2.gz AHQVSVJMRYQPRD-UTUOFQBUSA-N 1 1 307.350 1.482 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000277362746 408926839 /nfs/dbraw/zinc/92/68/39/408926839.db2.gz CJCZBOOHZVEHTQ-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCO ZINC000281818069 408934488 /nfs/dbraw/zinc/93/44/88/408934488.db2.gz LMZIBWXBVRSNJP-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCCO ZINC000281818069 408934490 /nfs/dbraw/zinc/93/44/90/408934490.db2.gz LMZIBWXBVRSNJP-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000281999007 408968874 /nfs/dbraw/zinc/96/88/74/408968874.db2.gz UDJBOBYHJDLXBC-JTQLQIEISA-N 1 1 300.384 1.964 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078772 408975476 /nfs/dbraw/zinc/97/54/76/408975476.db2.gz FLJCKMZLTQYALI-HZPDHXFCSA-N 1 1 305.378 1.656 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282209813 409011522 /nfs/dbraw/zinc/01/15/22/409011522.db2.gz XWAPLHJJVKLTEZ-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@H](O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000293319462 409088647 /nfs/dbraw/zinc/08/86/47/409088647.db2.gz XMTJJNMDPJWGSU-AWEZNQCLSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@H](O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000293319462 409088650 /nfs/dbraw/zinc/08/86/50/409088650.db2.gz XMTJJNMDPJWGSU-AWEZNQCLSA-N 1 1 307.350 1.404 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000287850315 409103564 /nfs/dbraw/zinc/10/35/64/409103564.db2.gz RZGZFUFTDOIBIK-UHFFFAOYSA-N 1 1 320.349 1.759 20 5 DDBDMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283439773 409156249 /nfs/dbraw/zinc/15/62/49/409156249.db2.gz XMQPVWSNADGTDD-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283439773 409156252 /nfs/dbraw/zinc/15/62/52/409156252.db2.gz XMQPVWSNADGTDD-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000283439773 409156253 /nfs/dbraw/zinc/15/62/53/409156253.db2.gz XMQPVWSNADGTDD-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295502652 409320836 /nfs/dbraw/zinc/32/08/36/409320836.db2.gz PIEMXRPWXIXDQC-CYBMUJFWSA-N 1 1 307.350 1.171 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000290448211 409406528 /nfs/dbraw/zinc/40/65/28/409406528.db2.gz CWCJKQDCJIMTLG-MNOVXSKESA-N 1 1 305.338 1.127 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317075301 164025286 /nfs/dbraw/zinc/02/52/86/164025286.db2.gz ZCOPUBFPRKJFTO-QWRGUYRKSA-N 1 1 304.350 1.534 20 5 DDBDMO C[C@@H]1[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357033728 164136824 /nfs/dbraw/zinc/13/68/24/164136824.db2.gz IAPOWWFQHOFVHW-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1nncs1)c1ccc([N+](=O)[O-])cc1 ZINC000296730041 409632109 /nfs/dbraw/zinc/63/21/09/409632109.db2.gz NXTJKULRNNPNGU-QMMMGPOBSA-N 1 1 307.335 1.736 20 5 DDBDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304315509 409601553 /nfs/dbraw/zinc/60/15/53/409601553.db2.gz OEGKCHNRGHITIU-DZGCQCFKSA-N 1 1 310.398 1.910 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000342558956 409723002 /nfs/dbraw/zinc/72/30/02/409723002.db2.gz DSUYZFLCFPZAEQ-GWCFXTLKSA-N 1 1 306.366 1.834 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000331662962 409745996 /nfs/dbraw/zinc/74/59/96/409745996.db2.gz YOOSLURCAYKTKK-GUTXKFCHSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000331662962 409746004 /nfs/dbraw/zinc/74/60/04/409746004.db2.gz YOOSLURCAYKTKK-GUTXKFCHSA-N 1 1 322.361 1.588 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332028734 409817274 /nfs/dbraw/zinc/81/72/74/409817274.db2.gz HUPLBMUBCXJNJY-HUUCEWRRSA-N 1 1 303.362 1.880 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357159512 409910999 /nfs/dbraw/zinc/91/09/99/409910999.db2.gz LEWDVUHQPQHWAF-UHFFFAOYSA-N 1 1 309.341 1.831 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244098 409871378 /nfs/dbraw/zinc/87/13/78/409871378.db2.gz UNHIFFSBEGBRHS-CKYFFXLPSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244098 409871383 /nfs/dbraw/zinc/87/13/83/409871383.db2.gz UNHIFFSBEGBRHS-CKYFFXLPSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000346244098 409871387 /nfs/dbraw/zinc/87/13/87/409871387.db2.gz UNHIFFSBEGBRHS-CKYFFXLPSA-N 1 1 321.381 1.429 20 5 DDBDMO C[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000338370279 409943569 /nfs/dbraw/zinc/94/35/69/409943569.db2.gz ALWKKVDTFJSGNS-LBPRGKRZSA-N 1 1 314.407 1.750 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000338370279 409943574 /nfs/dbraw/zinc/94/35/74/409943574.db2.gz ALWKKVDTFJSGNS-LBPRGKRZSA-N 1 1 314.407 1.750 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332250901 410015906 /nfs/dbraw/zinc/01/59/06/410015906.db2.gz RFKGCWRACCZWPO-SNVBAGLBSA-N 1 1 317.349 1.429 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332250901 410015911 /nfs/dbraw/zinc/01/59/11/410015911.db2.gz RFKGCWRACCZWPO-SNVBAGLBSA-N 1 1 317.349 1.429 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826459 410267262 /nfs/dbraw/zinc/26/72/62/410267262.db2.gz KBFVHADWRBKBPM-YGRLFVJLSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C)CC1 ZINC000298628178 410321132 /nfs/dbraw/zinc/32/11/32/410321132.db2.gz GUCYLDYTFBQEOG-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000351934580 410350766 /nfs/dbraw/zinc/35/07/66/410350766.db2.gz IMWYPIVTIAYWBR-HZMBPMFUSA-N 1 1 307.350 1.544 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346999098 410298829 /nfs/dbraw/zinc/29/88/29/410298829.db2.gz PCXYUSDBCOKDFI-CABCVRRESA-N 1 1 317.349 1.384 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256273 410424924 /nfs/dbraw/zinc/42/49/24/410424924.db2.gz IREHYABOFAFXTO-UHFFFAOYSA-N 1 1 314.317 1.170 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079980 410511687 /nfs/dbraw/zinc/51/16/87/410511687.db2.gz HAPSXFFRIPEXDP-QWRGUYRKSA-N 1 1 321.381 1.621 20 5 DDBDMO COc1c(C(=O)NCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000355451759 410524298 /nfs/dbraw/zinc/52/42/98/410524298.db2.gz BYIMDDDESFPDMB-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](C)O ZINC000352232547 410564684 /nfs/dbraw/zinc/56/46/84/410564684.db2.gz VMQDASVPSBRZRL-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](C)O ZINC000352232547 410564690 /nfs/dbraw/zinc/56/46/90/410564690.db2.gz VMQDASVPSBRZRL-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347438914 410545837 /nfs/dbraw/zinc/54/58/37/410545837.db2.gz WXJXEDILFBPVLY-NSHDSACASA-N 1 1 301.350 2.434 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343596266 410561358 /nfs/dbraw/zinc/56/13/58/410561358.db2.gz GVJTXWZAQRMWTG-JQWIXIFHSA-N 1 1 306.366 1.849 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCOCC1 ZINC000301093595 410656273 /nfs/dbraw/zinc/65/62/73/410656273.db2.gz NWOSZGZGFNRGFU-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)Cc1ccccc1)CC2 ZINC000347785900 410720983 /nfs/dbraw/zinc/72/09/83/410720983.db2.gz OPUQIAHYIIIXBC-MRXNPFEDSA-N 1 1 313.357 1.952 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)Cc1ccccc1)CC2 ZINC000347785900 410720988 /nfs/dbraw/zinc/72/09/88/410720988.db2.gz OPUQIAHYIIIXBC-MRXNPFEDSA-N 1 1 313.357 1.952 20 5 DDBDMO Cc1nc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301646819 410764082 /nfs/dbraw/zinc/76/40/82/410764082.db2.gz IDUCGJGORMAGMD-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340224262 410770298 /nfs/dbraw/zinc/77/02/98/410770298.db2.gz ZCBLSISZOAKEQP-CYBMUJFWSA-N 1 1 320.349 1.052 20 5 DDBDMO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000330560760 410778313 /nfs/dbraw/zinc/77/83/13/410778313.db2.gz HVPLTSJTTGJUNV-GHMZBOCLSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586576 410802281 /nfs/dbraw/zinc/80/22/81/410802281.db2.gz LSOFUORHDRJYCT-QWHCGFSZSA-N 1 1 320.393 1.582 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000340309529 410845762 /nfs/dbraw/zinc/84/57/62/410845762.db2.gz PEHHDWIRJQPZJY-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCCC[C@H]1C ZINC000356149518 410864247 /nfs/dbraw/zinc/86/42/47/410864247.db2.gz HCCQAEIFKJKYQX-MNOVXSKESA-N 1 1 309.370 1.321 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236582 410870901 /nfs/dbraw/zinc/87/09/01/410870901.db2.gz SWFCGUJCGKVMOR-BXUZGUMPSA-N 1 1 307.350 1.667 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(O)CCC1 ZINC000353487952 411024895 /nfs/dbraw/zinc/02/48/95/411024895.db2.gz FSBMPGLSQPDEQW-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(O)CCC1 ZINC000353487952 411024903 /nfs/dbraw/zinc/02/49/03/411024903.db2.gz FSBMPGLSQPDEQW-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccccc1CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295605248 225037870 /nfs/dbraw/zinc/03/78/70/225037870.db2.gz CQTCVBIBTKZOES-INIZCTEOSA-N 1 1 318.377 1.635 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419334997 226122184 /nfs/dbraw/zinc/12/21/84/226122184.db2.gz VYAZMLAXPPUEJS-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461923 418431877 /nfs/dbraw/zinc/43/18/77/418431877.db2.gz SIWSWKUMUOWVGP-FZKCQIBNSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461923 418431880 /nfs/dbraw/zinc/43/18/80/418431880.db2.gz SIWSWKUMUOWVGP-FZKCQIBNSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461923 418431883 /nfs/dbraw/zinc/43/18/83/418431883.db2.gz SIWSWKUMUOWVGP-FZKCQIBNSA-N 1 1 315.373 1.242 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1cccnc1 ZINC000367157907 418565640 /nfs/dbraw/zinc/56/56/40/418565640.db2.gz GAKWQVOPMXQYJA-AAEUAGOBSA-N 1 1 319.390 2.551 20 5 DDBDMO CNc1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361172488 418597873 /nfs/dbraw/zinc/59/78/73/418597873.db2.gz TVIAVRHVJCOFNO-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375102105 418606112 /nfs/dbraw/zinc/60/61/12/418606112.db2.gz SAUZYTYIJFLUSV-LLVKDONJSA-N 1 1 320.349 1.314 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000367559643 418610422 /nfs/dbraw/zinc/61/04/22/418610422.db2.gz OCFRMXDERPVTSW-ZDUSSCGKSA-N 1 1 303.322 1.317 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000367559643 418610423 /nfs/dbraw/zinc/61/04/23/418610423.db2.gz OCFRMXDERPVTSW-ZDUSSCGKSA-N 1 1 303.322 1.317 20 5 DDBDMO O=[N+]([O-])c1ccccc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352386523 418644637 /nfs/dbraw/zinc/64/46/37/418644637.db2.gz ZXGQGBKIUDHVST-UHFFFAOYSA-N 1 1 315.333 1.834 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361422319 418650727 /nfs/dbraw/zinc/65/07/27/418650727.db2.gz ZRYGHMCAZPLXEI-CYBMUJFWSA-N 1 1 307.350 1.769 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000361342568 418629983 /nfs/dbraw/zinc/62/99/83/418629983.db2.gz NLRPSRQTIDVRPF-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000368269709 418712596 /nfs/dbraw/zinc/71/25/96/418712596.db2.gz NADPGSWZQSMRDC-CABCVRRESA-N 1 1 302.334 1.772 20 5 DDBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361585428 418686388 /nfs/dbraw/zinc/68/63/88/418686388.db2.gz IIPOHVDRKVSNAG-DGCLKSJQSA-N 1 1 310.350 1.575 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361593756 418689219 /nfs/dbraw/zinc/68/92/19/418689219.db2.gz HICVYHGTKJRNPY-UONOGXRCSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000411511615 418910516 /nfs/dbraw/zinc/91/05/16/418910516.db2.gz ZDUDCGUBPACXBA-OAHLLOKOSA-N 1 1 323.349 1.007 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372871600 418910843 /nfs/dbraw/zinc/91/08/43/418910843.db2.gz QSCUGXZZQZQJPX-ZANVPECISA-N 1 1 315.333 1.295 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000372973151 418917850 /nfs/dbraw/zinc/91/78/50/418917850.db2.gz JCTIBSAUMWBMQP-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425061556 228358174 /nfs/dbraw/zinc/35/81/74/228358174.db2.gz ZNYYTPDDWHRUFS-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO COC(=O)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411915056 419481763 /nfs/dbraw/zinc/48/17/63/419481763.db2.gz YJTQYRONLQBYSL-CQSZACIVSA-N 1 1 321.377 1.174 20 5 DDBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915056 419481766 /nfs/dbraw/zinc/48/17/66/419481766.db2.gz YJTQYRONLQBYSL-CQSZACIVSA-N 1 1 321.377 1.174 20 5 DDBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915056 419481775 /nfs/dbraw/zinc/48/17/75/419481775.db2.gz YJTQYRONLQBYSL-CQSZACIVSA-N 1 1 321.377 1.174 20 5 DDBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000420993823 419430422 /nfs/dbraw/zinc/43/04/22/419430422.db2.gz BIGIXAQKSWVWIJ-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420993823 419430430 /nfs/dbraw/zinc/43/04/30/419430430.db2.gz BIGIXAQKSWVWIJ-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420993823 419430434 /nfs/dbraw/zinc/43/04/34/419430434.db2.gz BIGIXAQKSWVWIJ-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411961882 419521645 /nfs/dbraw/zinc/52/16/45/419521645.db2.gz YLYPPLNVIYSGTJ-LBPRGKRZSA-N 1 1 321.377 1.904 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412067524 419614268 /nfs/dbraw/zinc/61/42/68/419614268.db2.gz DTNIRYVEFAANPZ-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412067524 419614276 /nfs/dbraw/zinc/61/42/76/419614276.db2.gz DTNIRYVEFAANPZ-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(F)(F)C[NH3+] ZINC000423544466 420078660 /nfs/dbraw/zinc/07/86/60/420078660.db2.gz OGEXUYQVCZKBSR-UHFFFAOYSA-N 1 1 301.293 1.844 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000430226210 420092940 /nfs/dbraw/zinc/09/29/40/420092940.db2.gz MSQGDHJVRYWODF-ZYHUDNBSSA-N 1 1 307.350 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)CN ZINC000420298272 420189018 /nfs/dbraw/zinc/18/90/18/420189018.db2.gz ZUTYWVCRLGHROK-SNVBAGLBSA-N 1 1 310.354 1.211 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)CN ZINC000420298272 420189022 /nfs/dbraw/zinc/18/90/22/420189022.db2.gz ZUTYWVCRLGHROK-SNVBAGLBSA-N 1 1 310.354 1.211 20 5 DDBDMO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430922427 420205740 /nfs/dbraw/zinc/20/57/40/420205740.db2.gz AGVAOLMMIBAMFG-NEPJUHHUSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH3+])CC1 ZINC000430606784 420156093 /nfs/dbraw/zinc/15/60/93/420156093.db2.gz WKNUSTXGPUXZOS-LLVKDONJSA-N 1 1 306.366 1.593 20 5 DDBDMO CN(C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124557 420247129 /nfs/dbraw/zinc/24/71/29/420247129.db2.gz DFUFHWRUKBKWQV-SWLSCSKDSA-N 1 1 307.394 1.829 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775381 420254344 /nfs/dbraw/zinc/25/43/44/420254344.db2.gz QUPDZYUWPHOVHM-LLVKDONJSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775381 420254346 /nfs/dbraw/zinc/25/43/46/420254346.db2.gz QUPDZYUWPHOVHM-LLVKDONJSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775381 420254350 /nfs/dbraw/zinc/25/43/50/420254350.db2.gz QUPDZYUWPHOVHM-LLVKDONJSA-N 1 1 321.381 1.750 20 5 DDBDMO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423938219 420276395 /nfs/dbraw/zinc/27/63/95/420276395.db2.gz ISSIYEGDTGPRBE-LLVKDONJSA-N 1 1 303.322 1.310 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000420614222 420332288 /nfs/dbraw/zinc/33/22/88/420332288.db2.gz WKGNUKXTMAWMAZ-SECBINFHSA-N 1 1 301.306 1.317 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000492718832 420640619 /nfs/dbraw/zinc/64/06/19/420640619.db2.gz LUKSVFFKQPLLRU-FMFIFOJESA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000492718832 420640621 /nfs/dbraw/zinc/64/06/21/420640621.db2.gz LUKSVFFKQPLLRU-FMFIFOJESA-N 1 1 319.361 1.133 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000455098671 420969047 /nfs/dbraw/zinc/96/90/47/420969047.db2.gz JZVRXYPPLROUCC-LLVKDONJSA-N 1 1 319.365 1.342 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000455098671 420969049 /nfs/dbraw/zinc/96/90/49/420969049.db2.gz JZVRXYPPLROUCC-LLVKDONJSA-N 1 1 319.365 1.342 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493715816 420922354 /nfs/dbraw/zinc/92/23/54/420922354.db2.gz BLJBJPPVTQTAMZ-QZDDGCDVSA-N 1 1 307.325 1.768 20 5 DDBDMO O=c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)occ1O ZINC000488778355 421117522 /nfs/dbraw/zinc/11/75/22/421117522.db2.gz DGBAYSKHDNZYBG-UHFFFAOYSA-N 1 1 320.305 1.287 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000527054189 421351765 /nfs/dbraw/zinc/35/17/65/421351765.db2.gz SXVPUPNMLABNJI-LLVKDONJSA-N 1 1 305.334 1.136 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000574433167 422106383 /nfs/dbraw/zinc/10/63/83/422106383.db2.gz MBRDMNKVUCYQDG-UHFFFAOYSA-N 1 1 304.310 1.300 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000581833176 422052397 /nfs/dbraw/zinc/05/23/97/422052397.db2.gz FLJCBMUXOPSOQF-NSHDSACASA-N 1 1 307.350 1.560 20 5 DDBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923240 422392452 /nfs/dbraw/zinc/39/24/52/422392452.db2.gz NLLFVHQDVNARIQ-SNVBAGLBSA-N 1 1 321.381 1.634 20 5 DDBDMO C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000342073314 271291747 /nfs/dbraw/zinc/29/17/47/271291747.db2.gz OXQASRQCAZNFQS-LBPRGKRZSA-N 1 1 317.349 1.340 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(N)=O ZINC000342073314 271291749 /nfs/dbraw/zinc/29/17/49/271291749.db2.gz OXQASRQCAZNFQS-LBPRGKRZSA-N 1 1 317.349 1.340 20 5 DDBDMO CSCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342316406 271373365 /nfs/dbraw/zinc/37/33/65/271373365.db2.gz WKKWKYGIILQALP-SNVBAGLBSA-N 1 1 317.436 1.956 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344444382 272028153 /nfs/dbraw/zinc/02/81/53/272028153.db2.gz YAEIFGITPZMRMW-ZDUSSCGKSA-N 1 1 321.381 1.344 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000345883203 272356716 /nfs/dbraw/zinc/35/67/16/272356716.db2.gz YUHOHHCHOJRLKI-NEPJUHHUSA-N 1 1 323.397 1.479 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000346636822 272505353 /nfs/dbraw/zinc/50/53/53/272505353.db2.gz HYRLTIBECBWALE-RYUDHWBXSA-N 1 1 308.334 1.857 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000301776639 274035617 /nfs/dbraw/zinc/03/56/17/274035617.db2.gz OOBINKIYQHFMOC-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190856888 274267019 /nfs/dbraw/zinc/26/70/19/274267019.db2.gz LQDZHFBZMBREHV-VHSXEESVSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302451479 274364661 /nfs/dbraw/zinc/36/46/61/274364661.db2.gz SDOGDQRANUIJSO-SNVBAGLBSA-N 1 1 310.310 1.006 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302451479 274364662 /nfs/dbraw/zinc/36/46/62/274364662.db2.gz SDOGDQRANUIJSO-SNVBAGLBSA-N 1 1 310.310 1.006 20 5 DDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC000138131885 276075970 /nfs/dbraw/zinc/07/59/70/276075970.db2.gz XYGPGFJEPABQFB-UHFFFAOYSA-N 1 1 317.349 1.700 20 5 DDBDMO CC[N@H+](C)Cc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000138131885 276075971 /nfs/dbraw/zinc/07/59/71/276075971.db2.gz XYGPGFJEPABQFB-UHFFFAOYSA-N 1 1 317.349 1.700 20 5 DDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000138131885 276075972 /nfs/dbraw/zinc/07/59/72/276075972.db2.gz XYGPGFJEPABQFB-UHFFFAOYSA-N 1 1 317.349 1.700 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000123968189 281181517 /nfs/dbraw/zinc/18/15/17/281181517.db2.gz CGFLHCXKGLMGIW-PHIMTYICSA-N 1 1 313.379 1.274 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331294209 295286734 /nfs/dbraw/zinc/28/67/34/295286734.db2.gz RHWFVLWIWJQEKD-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331294209 295286735 /nfs/dbraw/zinc/28/67/35/295286735.db2.gz RHWFVLWIWJQEKD-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362577746 300100780 /nfs/dbraw/zinc/10/07/80/300100780.db2.gz QKJFGHDHQJHFNO-XJKSGUPXSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362577746 300100783 /nfs/dbraw/zinc/10/07/83/300100783.db2.gz QKJFGHDHQJHFNO-XJKSGUPXSA-N 1 1 322.361 1.445 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000368012830 300932940 /nfs/dbraw/zinc/93/29/40/300932940.db2.gz XZEUSHFYXNFJIZ-CYBMUJFWSA-N 1 1 300.318 1.985 20 5 DDBDMO O=C1NC[C@]2(CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)O1 ZINC000369039598 301123592 /nfs/dbraw/zinc/12/35/92/301123592.db2.gz BLTRNTURLNIXKU-HNNXBMFYSA-N 1 1 321.333 1.548 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)O1 ZINC000369039598 301123594 /nfs/dbraw/zinc/12/35/94/301123594.db2.gz BLTRNTURLNIXKU-HNNXBMFYSA-N 1 1 321.333 1.548 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCOCC2)O1 ZINC000369292590 301158453 /nfs/dbraw/zinc/15/84/53/301158453.db2.gz GDLIVUHXJUAXHD-LBPRGKRZSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000369535739 301195725 /nfs/dbraw/zinc/19/57/25/301195725.db2.gz CDAZQCPDSRIJDA-DZGCQCFKSA-N 1 1 324.381 1.451 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000369546955 301196450 /nfs/dbraw/zinc/19/64/50/301196450.db2.gz RCXPJEHGLQOKPW-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000369996422 301254658 /nfs/dbraw/zinc/25/46/58/301254658.db2.gz LWPDTHMDDJCBQP-ZDUSSCGKSA-N 1 1 304.354 1.543 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058243 302138641 /nfs/dbraw/zinc/13/86/41/302138641.db2.gz VKAYDHXURRATFT-QWRGUYRKSA-N 1 1 306.322 1.052 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377567105 302193838 /nfs/dbraw/zinc/19/38/38/302193838.db2.gz YFYGBXXBKJBZNV-GFCCVEGCSA-N 1 1 313.304 1.593 20 5 DDBDMO C[C@H]1COCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000378286040 302308426 /nfs/dbraw/zinc/30/84/26/302308426.db2.gz JDUYRTKVUSPYRD-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536609379 303365724 /nfs/dbraw/zinc/36/57/24/303365724.db2.gz ACOKVILHAYUQHL-AWEZNQCLSA-N 1 1 319.409 1.596 20 5 DDBDMO CCOC(=O)CCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587931 307190856 /nfs/dbraw/zinc/19/08/56/307190856.db2.gz ZLPALCRXDDSVGM-GFCCVEGCSA-N 1 1 310.354 1.772 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000375047434 307217918 /nfs/dbraw/zinc/21/79/18/307217918.db2.gz DDQQTRDWIAFFNO-MNOVXSKESA-N 1 1 302.338 1.168 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000377632358 307275002 /nfs/dbraw/zinc/27/50/02/307275002.db2.gz UWTUBQCEGDRUMB-MNOVXSKESA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000377632358 307275003 /nfs/dbraw/zinc/27/50/03/307275003.db2.gz UWTUBQCEGDRUMB-MNOVXSKESA-N 1 1 309.753 1.816 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000377642081 307275402 /nfs/dbraw/zinc/27/54/02/307275402.db2.gz ATLWESPPBDKBTQ-NSHDSACASA-N 1 1 304.354 1.219 20 5 DDBDMO Cc1ocnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571158755 308191492 /nfs/dbraw/zinc/19/14/92/308191492.db2.gz VIQWTQVTIACHAT-GFCCVEGCSA-N 1 1 307.306 1.421 20 5 DDBDMO Cc1c(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332548289 533853580 /nfs/dbraw/zinc/85/35/80/533853580.db2.gz HVZIYQGBHGPJMT-CQSZACIVSA-N 1 1 318.377 1.893 20 5 DDBDMO Cc1c(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332548288 533854747 /nfs/dbraw/zinc/85/47/47/533854747.db2.gz HVZIYQGBHGPJMT-AWEZNQCLSA-N 1 1 318.377 1.893 20 5 DDBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000330786547 534306092 /nfs/dbraw/zinc/30/60/92/534306092.db2.gz NLNSTOAMWAYRSX-TXEJJXNPSA-N 1 1 307.350 1.525 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000490289085 527828794 /nfs/dbraw/zinc/82/87/94/527828794.db2.gz FSYKPJDFVVCBPH-OAHLLOKOSA-N 1 1 305.378 1.936 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459587096 528036253 /nfs/dbraw/zinc/03/62/53/528036253.db2.gz LDQZXFSQBZWNPB-UHFFFAOYSA-N 1 1 322.365 1.346 20 5 DDBDMO CCCC[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736452624 598772464 /nfs/dbraw/zinc/77/24/64/598772464.db2.gz GKVZNDWATVHLCT-UHFFFAOYSA-N 1 1 319.369 1.919 20 5 DDBDMO COCCCOCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000091026037 696584239 /nfs/dbraw/zinc/58/42/39/696584239.db2.gz ZJLWRUDZWRETBP-UHFFFAOYSA-N 1 1 322.365 1.887 20 5 DDBDMO COCCCOCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000091026037 696584241 /nfs/dbraw/zinc/58/42/41/696584241.db2.gz ZJLWRUDZWRETBP-UHFFFAOYSA-N 1 1 322.365 1.887 20 5 DDBDMO C[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000748128460 700101343 /nfs/dbraw/zinc/10/13/43/700101343.db2.gz IOIDTXMQJKHSHP-TUAOUCFPSA-N 1 1 310.354 1.596 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000748348819 700112056 /nfs/dbraw/zinc/11/20/56/700112056.db2.gz LDKMWCOOFJHLGA-GFCCVEGCSA-N 1 1 316.361 1.712 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000748348819 700112057 /nfs/dbraw/zinc/11/20/57/700112057.db2.gz LDKMWCOOFJHLGA-GFCCVEGCSA-N 1 1 316.361 1.712 20 5 DDBDMO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278418 697081570 /nfs/dbraw/zinc/08/15/70/697081570.db2.gz BPDSNFYETSSAHV-SRABZTEZSA-N 1 1 321.421 1.788 20 5 DDBDMO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278418 697081572 /nfs/dbraw/zinc/08/15/72/697081572.db2.gz BPDSNFYETSSAHV-SRABZTEZSA-N 1 1 321.421 1.788 20 5 DDBDMO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278418 697081573 /nfs/dbraw/zinc/08/15/73/697081573.db2.gz BPDSNFYETSSAHV-SRABZTEZSA-N 1 1 321.421 1.788 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983658250 697287131 /nfs/dbraw/zinc/28/71/31/697287131.db2.gz VORSELFVCNWZJI-KBUPBQIOSA-N 1 1 309.410 1.716 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000749413539 700163220 /nfs/dbraw/zinc/16/32/20/700163220.db2.gz MIANDDXFRXGKTM-SNVBAGLBSA-N 1 1 306.366 1.557 20 5 DDBDMO CC(=O)N1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605598 698125920 /nfs/dbraw/zinc/12/59/20/698125920.db2.gz NLYPSMPRGUUGEA-HNNXBMFYSA-N 1 1 321.377 1.571 20 5 DDBDMO CC(=O)N1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605598 698125923 /nfs/dbraw/zinc/12/59/23/698125923.db2.gz NLYPSMPRGUUGEA-HNNXBMFYSA-N 1 1 321.377 1.571 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCOCC1 ZINC000778146144 698245255 /nfs/dbraw/zinc/24/52/55/698245255.db2.gz RWNVOTYINZMXTF-UHFFFAOYSA-N 1 1 309.322 1.056 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OCCCCn1cc[nH+]c1C ZINC000778787166 698368802 /nfs/dbraw/zinc/36/88/02/698368802.db2.gz CZEDDTFTUILKKE-UHFFFAOYSA-N 1 1 321.337 1.628 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000800860975 700250290 /nfs/dbraw/zinc/25/02/90/700250290.db2.gz ZQMUQDIUVBNNEN-GFCCVEGCSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000800860975 700250292 /nfs/dbraw/zinc/25/02/92/700250292.db2.gz ZQMUQDIUVBNNEN-GFCCVEGCSA-N 1 1 304.354 1.670 20 5 DDBDMO O=C1[C@H]([N@H+]2C[C@@H]3C[C@]3(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000782613390 698750615 /nfs/dbraw/zinc/75/06/15/698750615.db2.gz HXIGCXXQUOJDKO-SGIREYDYSA-N 1 1 317.345 1.014 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000787237362 699198683 /nfs/dbraw/zinc/19/86/83/699198683.db2.gz FTZVOTUFUCVZTN-MFKMUULPSA-N 1 1 318.333 1.785 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000742200596 699866755 /nfs/dbraw/zinc/86/67/55/699866755.db2.gz ZLJSMXICGUYTES-LLVKDONJSA-N 1 1 306.366 1.437 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000742200596 699866758 /nfs/dbraw/zinc/86/67/58/699866758.db2.gz ZLJSMXICGUYTES-LLVKDONJSA-N 1 1 306.366 1.437 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758285996 700696682 /nfs/dbraw/zinc/69/66/82/700696682.db2.gz RBFCQABBVYGADP-GHMZBOCLSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758285996 700696686 /nfs/dbraw/zinc/69/66/86/700696686.db2.gz RBFCQABBVYGADP-GHMZBOCLSA-N 1 1 309.341 2.000 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000765937659 701030378 /nfs/dbraw/zinc/03/03/78/701030378.db2.gz UQMWLHGUCHJVET-WDEREUQCSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000765937656 701030413 /nfs/dbraw/zinc/03/04/13/701030413.db2.gz UQMWLHGUCHJVET-GHMZBOCLSA-N 1 1 306.366 1.732 20 5 DDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665960 701772301 /nfs/dbraw/zinc/77/23/01/701772301.db2.gz JJUMYRBMWKJWQP-HOCLYGCPSA-N 1 1 322.361 1.903 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363377 706661848 /nfs/dbraw/zinc/66/18/48/706661848.db2.gz SEFUTVWMMWMWCL-SMDDNHRTSA-N 1 1 314.769 1.813 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363377 706661849 /nfs/dbraw/zinc/66/18/49/706661849.db2.gz SEFUTVWMMWMWCL-SMDDNHRTSA-N 1 1 314.769 1.813 20 5 DDBDMO CC(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000842046557 702663159 /nfs/dbraw/zinc/66/31/59/702663159.db2.gz DCKUMLCRSMDHSE-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000842046557 702663162 /nfs/dbraw/zinc/66/31/62/702663162.db2.gz DCKUMLCRSMDHSE-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845816590 703206260 /nfs/dbraw/zinc/20/62/60/703206260.db2.gz WKNHJBGVOFSZEL-PWSUYJOCSA-N 1 1 310.354 1.373 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846920836 703351833 /nfs/dbraw/zinc/35/18/33/703351833.db2.gz OHDNONXBUJAWFG-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000869786176 703853528 /nfs/dbraw/zinc/85/35/28/703853528.db2.gz VJALKVSLCUHXSM-LBPRGKRZSA-N 1 1 307.350 1.170 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000819040286 704057258 /nfs/dbraw/zinc/05/72/58/704057258.db2.gz ZAQDOKWNMAOFQM-GDBMZVCRSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000819040286 704057263 /nfs/dbraw/zinc/05/72/63/704057263.db2.gz ZAQDOKWNMAOFQM-GDBMZVCRSA-N 1 1 305.378 1.702 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000852495441 704062003 /nfs/dbraw/zinc/06/20/03/704062003.db2.gz KXFFXVZGFSMXHA-YUELXQCFSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000852495720 704062232 /nfs/dbraw/zinc/06/22/32/704062232.db2.gz MTMYJOHZMGXXQE-SNPRPXQTSA-N 1 1 319.361 1.229 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000870853591 704145390 /nfs/dbraw/zinc/14/53/90/704145390.db2.gz UMCKNHOBRUUSNY-JRPNMDOOSA-N 1 1 307.350 1.405 20 5 DDBDMO CN(C[C@H]1CCCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870871637 704152107 /nfs/dbraw/zinc/15/21/07/704152107.db2.gz IXGPRTFMIMCAFM-ZBFHGGJFSA-N 1 1 321.377 1.796 20 5 DDBDMO CCN(C[C@@H]1CCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870875364 704153762 /nfs/dbraw/zinc/15/37/62/704153762.db2.gz LUKUNUFUXKUTHQ-BLLLJJGKSA-N 1 1 321.377 1.654 20 5 DDBDMO CN1CC(C[N@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000853553953 704267281 /nfs/dbraw/zinc/26/72/81/704267281.db2.gz WTJBWBZOSHPGOG-UHFFFAOYSA-N 1 1 315.377 1.909 20 5 DDBDMO CN1CC(C[N@@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000853553953 704267283 /nfs/dbraw/zinc/26/72/83/704267283.db2.gz WTJBWBZOSHPGOG-UHFFFAOYSA-N 1 1 315.377 1.909 20 5 DDBDMO Cc1cccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000821588011 704425218 /nfs/dbraw/zinc/42/52/18/704425218.db2.gz WOBLRBZRZGZJGG-BETUJISGSA-N 1 1 320.345 1.923 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188237 706918687 /nfs/dbraw/zinc/91/86/87/706918687.db2.gz WEFPIJJBOZJQGQ-GHMZBOCLSA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000823130187 705148277 /nfs/dbraw/zinc/14/82/77/705148277.db2.gz VRWYNQLYUVLKFJ-RYUDHWBXSA-N 1 1 301.387 1.047 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000824657290 705500825 /nfs/dbraw/zinc/50/08/25/705500825.db2.gz CHQXJGJTDFBRDW-NSHDSACASA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825380312 705658394 /nfs/dbraw/zinc/65/83/94/705658394.db2.gz YCWNKQBVMNGOGD-AWEZNQCLSA-N 1 1 318.333 1.340 20 5 DDBDMO CC(C)OCC[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826573310 705817865 /nfs/dbraw/zinc/81/78/65/705817865.db2.gz CPDJEHGSDHJYTB-UHFFFAOYSA-N 1 1 315.414 1.391 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722478 705857809 /nfs/dbraw/zinc/85/78/09/705857809.db2.gz QVTVHFREGAESHG-BXUZGUMPSA-N 1 1 307.350 1.086 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000826970468 705903017 /nfs/dbraw/zinc/90/30/17/705903017.db2.gz MPINPKCLVFHPEF-HCKVZZMMSA-N 1 1 319.361 1.370 20 5 DDBDMO CO[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876955680 705937123 /nfs/dbraw/zinc/93/71/23/705937123.db2.gz AMSUYRLCFUEGOZ-GDBMZVCRSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827290331 705969206 /nfs/dbraw/zinc/96/92/06/705969206.db2.gz SWEQCZYCCNCYMZ-ZYHUDNBSSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827328349 705976194 /nfs/dbraw/zinc/97/61/94/705976194.db2.gz DWTPPJCEGZMBLM-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827363733 705985307 /nfs/dbraw/zinc/98/53/07/705985307.db2.gz CABPIJKYHGOBSC-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000828687128 706217427 /nfs/dbraw/zinc/21/74/27/706217427.db2.gz ZZPGKKRUOIRGEZ-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879923222 706820600 /nfs/dbraw/zinc/82/06/00/706820600.db2.gz CLOCPDSNWIYGID-UHFFFAOYSA-N 1 1 311.313 1.624 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000836849441 707529529 /nfs/dbraw/zinc/52/95/29/707529529.db2.gz PWNYCWPEPGOKEF-XHDPSFHLSA-N 1 1 318.377 1.437 20 5 DDBDMO CC(=O)c1c(NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000882235422 707552060 /nfs/dbraw/zinc/55/20/60/707552060.db2.gz ORTOAHDQQWNBAW-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CC(=O)c1c(NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000882235422 707552065 /nfs/dbraw/zinc/55/20/65/707552065.db2.gz ORTOAHDQQWNBAW-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000882481755 707652597 /nfs/dbraw/zinc/65/25/97/707652597.db2.gz VDJLNOMYXMXTBE-LLVKDONJSA-N 1 1 309.391 1.897 20 5 DDBDMO CC(C)CNC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885937800 708666649 /nfs/dbraw/zinc/66/66/49/708666649.db2.gz KHMXWOXPQGRVFL-UHFFFAOYSA-N 1 1 320.393 1.974 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886027721 708684102 /nfs/dbraw/zinc/68/41/02/708684102.db2.gz HWLMICZNDAHMHK-UHFFFAOYSA-N 1 1 315.333 1.125 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886027721 708684104 /nfs/dbraw/zinc/68/41/04/708684104.db2.gz HWLMICZNDAHMHK-UHFFFAOYSA-N 1 1 315.333 1.125 20 5 DDBDMO CCC1([NH+]2CCC2)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000899563063 709113244 /nfs/dbraw/zinc/11/32/44/709113244.db2.gz RTPSDTVYJIQDAN-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267393 709512654 /nfs/dbraw/zinc/51/26/54/709512654.db2.gz FHEOPOIWAPHJJS-BLLLJJGKSA-N 1 1 321.377 1.619 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099389 713129995 /nfs/dbraw/zinc/12/99/95/713129995.db2.gz JTYUCHPVIXRPDE-VHSXEESVSA-N 1 1 311.363 1.497 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099389 713129996 /nfs/dbraw/zinc/12/99/96/713129996.db2.gz JTYUCHPVIXRPDE-VHSXEESVSA-N 1 1 311.363 1.497 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640406 710835390 /nfs/dbraw/zinc/83/53/90/710835390.db2.gz YNQFIRYNLAILAR-OCCSQVGLSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640406 710835392 /nfs/dbraw/zinc/83/53/92/710835392.db2.gz YNQFIRYNLAILAR-OCCSQVGLSA-N 1 1 317.349 1.920 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928553729 713223432 /nfs/dbraw/zinc/22/34/32/713223432.db2.gz DIXFWTYMYMAMMU-VIFPVBQESA-N 1 1 315.732 1.750 20 5 DDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928569793 713233193 /nfs/dbraw/zinc/23/31/93/713233193.db2.gz RGLXLMCQQFYNDL-ZYHUDNBSSA-N 1 1 309.391 1.896 20 5 DDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928569793 713233196 /nfs/dbraw/zinc/23/31/96/713233196.db2.gz RGLXLMCQQFYNDL-ZYHUDNBSSA-N 1 1 309.391 1.896 20 5 DDBDMO Nc1ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)nc1[N+](=O)[O-] ZINC000895567629 711544768 /nfs/dbraw/zinc/54/47/68/711544768.db2.gz GFEKGOCBMAVIJC-QWRGUYRKSA-N 1 1 309.395 1.564 20 5 DDBDMO Cc1nn(C)c(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895571572 711546099 /nfs/dbraw/zinc/54/60/99/711546099.db2.gz JALQWJJEPPBSMG-MNOVXSKESA-N 1 1 311.411 1.628 20 5 DDBDMO Cc1nn(C)c(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895571572 711546100 /nfs/dbraw/zinc/54/61/00/711546100.db2.gz JALQWJJEPPBSMG-MNOVXSKESA-N 1 1 311.411 1.628 20 5 DDBDMO C[N@@H+](CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000913660238 713276771 /nfs/dbraw/zinc/27/67/71/713276771.db2.gz SAQZRWNBKYIWDX-MRXNPFEDSA-N 1 1 321.377 1.403 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581027 711758030 /nfs/dbraw/zinc/75/80/30/711758030.db2.gz FUJHYOMQCJFABI-TZMCWYRMSA-N 1 1 320.393 1.267 20 5 DDBDMO CCO[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000905581902 712085752 /nfs/dbraw/zinc/08/57/52/712085752.db2.gz ZPCMKYYWNGWQMR-HUUCEWRRSA-N 1 1 311.382 1.185 20 5 DDBDMO C[N@@H+](Cc1cn(Cc2cccnc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905815271 712154293 /nfs/dbraw/zinc/15/42/93/712154293.db2.gz KJWYIPGULJVVPK-UHFFFAOYSA-N 1 1 304.354 1.860 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000929090339 713543772 /nfs/dbraw/zinc/54/37/72/713543772.db2.gz BDLYBPKHKQYGKA-MFKMUULPSA-N 1 1 320.349 1.771 20 5 DDBDMO C[C@@](CO)([NH2+]Cc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000922308261 714017381 /nfs/dbraw/zinc/01/73/81/714017381.db2.gz WNHNZUXWNYOICT-HNNXBMFYSA-N 1 1 322.340 1.758 20 5 DDBDMO CC1(C)CC(=O)NCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931207518 714036819 /nfs/dbraw/zinc/03/68/19/714036819.db2.gz XNQPZJVTMGIDTA-CYBMUJFWSA-N 1 1 307.350 1.229 20 5 DDBDMO CC1(C)CC(=O)NCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931207518 714036823 /nfs/dbraw/zinc/03/68/23/714036823.db2.gz XNQPZJVTMGIDTA-CYBMUJFWSA-N 1 1 307.350 1.229 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459852 714102740 /nfs/dbraw/zinc/10/27/40/714102740.db2.gz BEZZIGKDRYGVHU-QMTHXVAHSA-N 1 1 302.334 1.971 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459852 714102742 /nfs/dbraw/zinc/10/27/42/714102742.db2.gz BEZZIGKDRYGVHU-QMTHXVAHSA-N 1 1 302.334 1.971 20 5 DDBDMO CCOc1cc(NC(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000931903647 714209250 /nfs/dbraw/zinc/20/92/50/714209250.db2.gz OYMVLNHVUGYSAL-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346793 714314958 /nfs/dbraw/zinc/31/49/58/714314958.db2.gz KUWZHCYPKDBHCG-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114482 714744962 /nfs/dbraw/zinc/74/49/62/714744962.db2.gz JCDOJVLCJOUKJX-RBSFLKMASA-N 1 1 319.361 1.809 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114482 714744965 /nfs/dbraw/zinc/74/49/65/714744965.db2.gz JCDOJVLCJOUKJX-RBSFLKMASA-N 1 1 319.361 1.809 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935479316 715065764 /nfs/dbraw/zinc/06/57/64/715065764.db2.gz SQXNEUMYGXWSBY-CABCVRRESA-N 1 1 303.362 1.907 20 5 DDBDMO COc1nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ccc1[N+](=O)[O-] ZINC001164770652 721282423 /nfs/dbraw/zinc/28/24/23/721282423.db2.gz WCWFBYODTXVCDI-UHFFFAOYSA-N 1 1 318.377 1.921 20 5 DDBDMO O=C(Cc1cnc[nH]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167352705 733275952 /nfs/dbraw/zinc/27/59/52/733275952.db2.gz JSYMLYHINIALIG-UHFFFAOYSA-N 1 1 317.349 1.157 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2C/C=C/Cl ZINC001039583279 735103512 /nfs/dbraw/zinc/10/35/12/735103512.db2.gz KBWCYMQQKSOUMM-OAIRPBAWSA-N 1 1 313.785 1.469 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nnc([C@H](C)[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001121389462 782487979 /nfs/dbraw/zinc/48/79/79/782487979.db2.gz SBVMYGZGDPWITD-WOPDTQHZSA-N 1 1 310.402 1.319 20 5 DDBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccc([N+](=O)[O-])nc1)C2 ZINC001186895567 744462296 /nfs/dbraw/zinc/46/22/96/744462296.db2.gz HQNFTUZJJCUTQM-NSHDSACASA-N 1 1 317.349 1.456 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001031511199 746923171 /nfs/dbraw/zinc/92/31/71/746923171.db2.gz YECNLFHQTBURPC-UHFFFAOYSA-N 1 1 303.362 1.943 20 5 DDBDMO Cc1cc(C)cc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031660624 747335793 /nfs/dbraw/zinc/33/57/93/747335793.db2.gz MTFSGZZUBNHBHD-HZPDHXFCSA-N 1 1 317.389 1.517 20 5 DDBDMO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001034644378 750626189 /nfs/dbraw/zinc/62/61/89/750626189.db2.gz FUGXGOCQIYABMV-HBJVGIJOSA-N 1 1 322.365 1.165 20 5 DDBDMO Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC001034644881 750627222 /nfs/dbraw/zinc/62/72/22/750627222.db2.gz MUSATBLAPUOPHA-HBJVGIJOSA-N 1 1 322.365 1.165 20 5 DDBDMO O=C1CC[C@H]2[C@H](CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019304 762199353 /nfs/dbraw/zinc/19/93/53/762199353.db2.gz HOAZBEKFZLGCFT-FZKCQIBNSA-N 1 1 321.421 1.907 20 5 DDBDMO COc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053578 762208631 /nfs/dbraw/zinc/20/86/31/762208631.db2.gz IZFUONYPSVFUIN-HZSPNIEDSA-N 1 1 321.377 1.989 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3cnccn3)C2)C1 ZINC001169053887 762208729 /nfs/dbraw/zinc/20/87/29/762208729.db2.gz JYLIBIAEYKRAEZ-MCIONIFRSA-N 1 1 306.366 1.765 20 5 DDBDMO Cc1c(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC001135484060 771530196 /nfs/dbraw/zinc/53/01/96/771530196.db2.gz UQAUNHSRMGCYMS-ZIAGYGMSSA-N 1 1 307.350 1.687 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097038003 771590507 /nfs/dbraw/zinc/59/05/07/771590507.db2.gz SWYYOUFUANEYLT-JOCQHMNTSA-N 1 1 320.393 1.994 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922229 772211081 /nfs/dbraw/zinc/21/10/81/772211081.db2.gz AMYYMIPUZRVKFL-QMTHXVAHSA-N 1 1 306.366 1.589 20 5 DDBDMO [NH3+][C@@H]1C[C@H]1NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008121 776960455 /nfs/dbraw/zinc/96/04/55/776960455.db2.gz NCYUCUUHRJXYGK-CHWSQXEVSA-N 1 1 312.320 1.531 20 5 DDBDMO CCN(CC)CCNC(=[NH2+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218466 777049610 /nfs/dbraw/zinc/04/96/10/777049610.db2.gz BFGGTDHZVUVHEM-CYBMUJFWSA-N 1 1 321.425 1.982 20 5 DDBDMO Cc1cnc(NCCN(C)C(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001101657858 777355061 /nfs/dbraw/zinc/35/50/61/777355061.db2.gz UQLUQNPMWKMHGZ-UHFFFAOYSA-N 1 1 323.397 1.509 20 5 DDBDMO Cc1cnc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001178458792 779058960 /nfs/dbraw/zinc/05/89/60/779058960.db2.gz YILJKLMEMMMNDT-CHWSQXEVSA-N 1 1 324.381 1.414 20 5 DDBDMO Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268544107 840422968 /nfs/dbraw/zinc/42/29/68/840422968.db2.gz ZHGZZWFUYQTLER-OKYAQOQYSA-N 1 1 321.352 1.561 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001157271042 863700893 /nfs/dbraw/zinc/70/08/93/863700893.db2.gz HGXSPGPUIWXBTK-GXSJLCMTSA-N 1 1 312.757 1.412 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccccc1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767857 864117635 /nfs/dbraw/zinc/11/76/35/864117635.db2.gz YGMKUNDEXNDRKC-HZPDHXFCSA-N 1 1 317.389 1.825 20 5 DDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])n1 ZINC001159780356 865519393 /nfs/dbraw/zinc/51/93/93/865519393.db2.gz YIDIZZGHUNKUKS-RXMQYKEDSA-N 1 1 306.779 1.196 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159786275 865522638 /nfs/dbraw/zinc/52/26/38/865522638.db2.gz XMNOBXLZZGQKLI-SNVBAGLBSA-N 1 1 310.745 1.627 20 5 DDBDMO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC001336650331 869074007 /nfs/dbraw/zinc/07/40/07/869074007.db2.gz DKVRFWSGKARLRX-NSHDSACASA-N 1 1 305.382 1.883 20 5 DDBDMO C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001336779629 869136472 /nfs/dbraw/zinc/13/64/72/869136472.db2.gz VQNCFAMUSVNLNR-TZMCWYRMSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CN(C)C ZINC001336779629 869136478 /nfs/dbraw/zinc/13/64/78/869136478.db2.gz VQNCFAMUSVNLNR-TZMCWYRMSA-N 1 1 311.382 1.122 20 5 DDBDMO CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001165199351 869422975 /nfs/dbraw/zinc/42/29/75/869422975.db2.gz RAYDYMCVWBOMJD-SNVBAGLBSA-N 1 1 309.326 1.817 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ncc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165300483 869507585 /nfs/dbraw/zinc/50/75/85/869507585.db2.gz PFMDDDAYBUGUDM-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC001337678387 869592038 /nfs/dbraw/zinc/59/20/38/869592038.db2.gz HTXRCCITBIOMGR-IAQYHMDHSA-N 1 1 308.382 1.650 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468483 870512283 /nfs/dbraw/zinc/51/22/83/870512283.db2.gz VPCCTRLFFYPMPB-CHWSQXEVSA-N 1 1 324.429 1.804 20 5 DDBDMO C[C@@H](c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C)[N+](=O)[O-] ZINC001339670215 870619388 /nfs/dbraw/zinc/61/93/88/870619388.db2.gz XTGJCMIDGUKNOV-RYUDHWBXSA-N 1 1 322.413 1.463 20 5 DDBDMO C[C@@H]1COCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001341004482 871462862 /nfs/dbraw/zinc/46/28/62/871462862.db2.gz HHWPXGALRIUCIH-XHDPSFHLSA-N 1 1 307.350 1.264 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+](C)CCO ZINC001310687923 871645637 /nfs/dbraw/zinc/64/56/37/871645637.db2.gz CFXGFLVJEJICMB-UHFFFAOYSA-N 1 1 310.354 1.257 20 5 DDBDMO O=C(CC[NH+]1CCOCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318795914 872275866 /nfs/dbraw/zinc/27/58/66/872275866.db2.gz WRHHNQNGJARDFK-UHFFFAOYSA-N 1 1 305.334 1.159 20 5 DDBDMO COC(=O)c1ccc(CO[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223413081 880951678 /nfs/dbraw/zinc/95/16/78/880951678.db2.gz ILRIEJCUYIUGRM-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)C[N+](C)(C)C ZINC001230206034 884375914 /nfs/dbraw/zinc/37/59/14/884375914.db2.gz YZZJRHIWPSFGTD-SNVBAGLBSA-O 1 1 320.369 1.596 20 5 DDBDMO OC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219393 886165227 /nfs/dbraw/zinc/16/52/27/886165227.db2.gz TZIRRFBKKKXJGR-GDBMZVCRSA-N 1 1 309.369 1.568 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001254560871 896503088 /nfs/dbraw/zinc/50/30/88/896503088.db2.gz YRCBPKGSOPROFU-HIFRSBDPSA-N 1 1 319.405 1.931 20 5 DDBDMO C[C@]1(CO)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592066 896521418 /nfs/dbraw/zinc/52/14/18/896521418.db2.gz ABVXNTGSQXHNHO-ARFHVFGLSA-N 1 1 306.362 1.127 20 5 DDBDMO CCOC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254606470 896528413 /nfs/dbraw/zinc/52/84/13/896528413.db2.gz GTPHTMKUKYAWHD-WCVJEAGWSA-N 1 1 316.357 1.803 20 5 DDBDMO C[N@@H+](C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@H]1CCOC1 ZINC001254604609 896528815 /nfs/dbraw/zinc/52/88/15/896528815.db2.gz WWFNXFGEJQDQEA-HOTGVXAUSA-N 1 1 317.389 1.467 20 5 DDBDMO C[C@@H]1C[N@H+](CCc2nnc(-c3ccc([N+](=O)[O-])o3)o2)C[C@H](C)O1 ZINC001258013262 898015565 /nfs/dbraw/zinc/01/55/65/898015565.db2.gz VFTBJYHQHSJAHQ-AOOOYVTPSA-N 1 1 322.321 1.890 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000081792357 192324658 /nfs/dbraw/zinc/32/46/58/192324658.db2.gz VZFRNUYBOGTUJX-GFCCVEGCSA-N 1 1 320.393 1.899 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060097 529465904 /nfs/dbraw/zinc/46/59/04/529465904.db2.gz UJUOQJMRRSUWFL-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060097 529465906 /nfs/dbraw/zinc/46/59/06/529465906.db2.gz UJUOQJMRRSUWFL-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425060097 529465907 /nfs/dbraw/zinc/46/59/07/529465907.db2.gz UJUOQJMRRSUWFL-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551325 185302798 /nfs/dbraw/zinc/30/27/98/185302798.db2.gz FCFXUGVRJZIKLR-XJKSGUPXSA-N 1 1 323.393 1.892 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000181562094 199318277 /nfs/dbraw/zinc/31/82/77/199318277.db2.gz ZGOFVNJCMWRHLN-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985273 529801243 /nfs/dbraw/zinc/80/12/43/529801243.db2.gz TZOSZQQBOBTPFZ-JKSUJKDBSA-N 1 1 305.378 1.628 20 5 DDBDMO CN1CC[C@@](O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985273 529801245 /nfs/dbraw/zinc/80/12/45/529801245.db2.gz TZOSZQQBOBTPFZ-JKSUJKDBSA-N 1 1 305.378 1.628 20 5 DDBDMO CN(C)c1ccccc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000288998624 282300247 /nfs/dbraw/zinc/30/02/47/282300247.db2.gz MECVVPGRVRWLOJ-UHFFFAOYSA-N 1 1 303.366 1.989 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000429227231 529943430 /nfs/dbraw/zinc/94/34/30/529943430.db2.gz NWGGWHOFGCSFJQ-CYBMUJFWSA-N 1 1 310.350 1.181 20 5 DDBDMO CC(C)NC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000615494249 362307255 /nfs/dbraw/zinc/30/72/55/362307255.db2.gz IOYGRPGQPQFJOC-LBPRGKRZSA-N 1 1 320.393 1.873 20 5 DDBDMO CC(C)NC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000615494249 362307258 /nfs/dbraw/zinc/30/72/58/362307258.db2.gz IOYGRPGQPQFJOC-LBPRGKRZSA-N 1 1 320.393 1.873 20 5 DDBDMO CC[N@@H+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000616376529 362666707 /nfs/dbraw/zinc/66/67/07/362666707.db2.gz UAZHNTZRGHPQCK-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO CC[N@H+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000616376529 362666710 /nfs/dbraw/zinc/66/67/10/362666710.db2.gz UAZHNTZRGHPQCK-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO C[NH+](C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000272640283 210042989 /nfs/dbraw/zinc/04/29/89/210042989.db2.gz XKXZZKGQYJCMCB-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cn[nH]c3)C2)nc1 ZINC000459386772 233152838 /nfs/dbraw/zinc/15/28/38/233152838.db2.gz YOMQYNYVMYDKKM-LBPRGKRZSA-N 1 1 302.338 1.442 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000459586262 233338039 /nfs/dbraw/zinc/33/80/39/233338039.db2.gz KSKXHYZSZBKHHP-KFWWJZLASA-N 1 1 316.361 1.921 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287185899 219366463 /nfs/dbraw/zinc/36/64/63/219366463.db2.gz ZTZHNFFVWLFDRG-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000287208642 219382651 /nfs/dbraw/zinc/38/26/51/219382651.db2.gz IGJJTNGWMJPGHO-GFCCVEGCSA-N 1 1 320.393 1.845 20 5 DDBDMO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000172461532 198100444 /nfs/dbraw/zinc/10/04/44/198100444.db2.gz WGMBSWDNGKEHGB-JTQLQIEISA-N 1 1 313.379 1.354 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032429830 352279594 /nfs/dbraw/zinc/27/95/94/352279594.db2.gz JTKQKUSGKNJMLF-RWMBFGLXSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032429830 352279598 /nfs/dbraw/zinc/27/95/98/352279598.db2.gz JTKQKUSGKNJMLF-RWMBFGLXSA-N 1 1 321.377 1.822 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147332 352363029 /nfs/dbraw/zinc/36/30/29/352363029.db2.gz GCKHWEUJHSZDSI-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000044521420 352387345 /nfs/dbraw/zinc/38/73/45/352387345.db2.gz FNIXITJXMUASFJ-VXGBXAGGSA-N 1 1 313.423 1.129 20 5 DDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553760 352820356 /nfs/dbraw/zinc/82/03/56/352820356.db2.gz AUURCQFOPPDLOT-GFCCVEGCSA-N 1 1 318.377 1.750 20 5 DDBDMO CC[N@H+](CCC(=O)OC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173268689 198203469 /nfs/dbraw/zinc/20/34/69/198203469.db2.gz HMWCTSGXEGCCLG-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000173268689 198203471 /nfs/dbraw/zinc/20/34/71/198203471.db2.gz HMWCTSGXEGCCLG-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000067837656 353070287 /nfs/dbraw/zinc/07/02/87/353070287.db2.gz SONSJJQFVUKQLN-HOTGVXAUSA-N 1 1 317.389 1.680 20 5 DDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000074288258 353304105 /nfs/dbraw/zinc/30/41/05/353304105.db2.gz MPGLIMQJZCPZOA-NSHDSACASA-N 1 1 313.379 1.095 20 5 DDBDMO CCC[N@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000078251325 353506803 /nfs/dbraw/zinc/50/68/03/353506803.db2.gz UQMKEMRIIOUGJF-UHFFFAOYSA-N 1 1 306.366 1.616 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078583676 353523046 /nfs/dbraw/zinc/52/30/46/353523046.db2.gz ZQJYWOQPFDPQLO-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO Cc1nn(C)c(N2CCC[N@H+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000077990254 353500361 /nfs/dbraw/zinc/50/03/61/353500361.db2.gz VHYHPNPZRIZJPZ-UHFFFAOYSA-N 1 1 323.397 1.328 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000126045319 354049889 /nfs/dbraw/zinc/04/98/89/354049889.db2.gz JJJKVGCRRFHSLG-GFCCVEGCSA-N 1 1 318.377 1.702 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000145704605 354157650 /nfs/dbraw/zinc/15/76/50/354157650.db2.gz RAUQUTIQQYZGMZ-ZIAGYGMSSA-N 1 1 323.418 1.742 20 5 DDBDMO Cc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153796802 354201196 /nfs/dbraw/zinc/20/11/96/354201196.db2.gz MTLKZMVBEPOREX-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153796802 354201198 /nfs/dbraw/zinc/20/11/98/354201198.db2.gz MTLKZMVBEPOREX-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000292896211 354452556 /nfs/dbraw/zinc/45/25/56/354452556.db2.gz ACFNPOSTOPGWTI-ZDUSSCGKSA-N 1 1 321.377 1.652 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)c1 ZINC000332398814 234911093 /nfs/dbraw/zinc/91/10/93/234911093.db2.gz RFPAYLVXEUZIEQ-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000587973721 354888064 /nfs/dbraw/zinc/88/80/64/354888064.db2.gz XVYBWTYTNUQCFN-NSHDSACASA-N 1 1 320.349 1.673 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1 ZINC000589501228 354996699 /nfs/dbraw/zinc/99/66/99/354996699.db2.gz GMMBCECPNNLSRF-IUODEOHRSA-N 1 1 322.361 1.974 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000590044697 355042448 /nfs/dbraw/zinc/04/24/48/355042448.db2.gz MFTWICXGYRRWNP-BXUZGUMPSA-N 1 1 314.345 1.852 20 5 DDBDMO COc1ccc(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044224 355042580 /nfs/dbraw/zinc/04/25/80/355042580.db2.gz ISKOCPSNGZIHLT-OCCSQVGLSA-N 1 1 319.361 1.308 20 5 DDBDMO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045624 355043151 /nfs/dbraw/zinc/04/31/51/355043151.db2.gz SKKDWERJXVPTKH-WHOFXGATSA-N 1 1 303.362 1.861 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)CO ZINC000590655940 355138577 /nfs/dbraw/zinc/13/85/77/355138577.db2.gz ZCTMIWALLOAVSV-UHFFFAOYSA-N 1 1 310.350 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CC[N@@H+](CC4CC4)C3)[nH]c2c1 ZINC000590689625 355148511 /nfs/dbraw/zinc/14/85/11/355148511.db2.gz IXDHXCACWLSAME-LLVKDONJSA-N 1 1 301.350 1.789 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000591505241 355322128 /nfs/dbraw/zinc/32/21/28/355322128.db2.gz TUHUIZSJGQFRAO-RYUDHWBXSA-N 1 1 322.361 1.832 20 5 DDBDMO C[C@H]1CC2(C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592183076 355527682 /nfs/dbraw/zinc/52/76/82/355527682.db2.gz QZAUSFSTTUEVCZ-JSGCOSHPSA-N 1 1 324.381 1.043 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593064987 355784982 /nfs/dbraw/zinc/78/49/82/355784982.db2.gz VLCKHGDNBKUVJI-UONOGXRCSA-N 1 1 323.349 1.005 20 5 DDBDMO COCCOCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000593114605 355803674 /nfs/dbraw/zinc/80/36/74/355803674.db2.gz BVWTUECLAYLSDM-UHFFFAOYSA-N 1 1 323.393 1.375 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593188342 355820498 /nfs/dbraw/zinc/82/04/98/355820498.db2.gz DHWAWRGMLVUYSP-IJLUTSLNSA-N 1 1 323.397 1.429 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519675 355912147 /nfs/dbraw/zinc/91/21/47/355912147.db2.gz AOBQPXFRMSGWTM-QMTHXVAHSA-N 1 1 321.352 1.875 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000593455561 355890524 /nfs/dbraw/zinc/89/05/24/355890524.db2.gz WEWXEMXIJMKCMV-CQSZACIVSA-N 1 1 321.352 1.877 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000594016621 356089330 /nfs/dbraw/zinc/08/93/30/356089330.db2.gz ANVXTVLFXQWGQQ-HNNXBMFYSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594056825 356101146 /nfs/dbraw/zinc/10/11/46/356101146.db2.gz ZDMUANCVQLISCI-SNVBAGLBSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594056825 356101152 /nfs/dbraw/zinc/10/11/52/356101152.db2.gz ZDMUANCVQLISCI-SNVBAGLBSA-N 1 1 318.333 1.990 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000595042999 356376125 /nfs/dbraw/zinc/37/61/25/356376125.db2.gz DKPLGODMRPSMAR-JOYOIKCWSA-N 1 1 321.333 1.401 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595318269 356447298 /nfs/dbraw/zinc/44/72/98/356447298.db2.gz TVDCJMJHVWDSIV-GFCCVEGCSA-N 1 1 322.365 1.726 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595318269 356447304 /nfs/dbraw/zinc/44/73/04/356447304.db2.gz TVDCJMJHVWDSIV-GFCCVEGCSA-N 1 1 322.365 1.726 20 5 DDBDMO Cc1noc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1[N+](=O)[O-] ZINC000595504301 356521966 /nfs/dbraw/zinc/52/19/66/356521966.db2.gz BJGSSFBCARTKRR-KGLIPLIRSA-N 1 1 311.338 1.301 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595500165 356519727 /nfs/dbraw/zinc/51/97/27/356519727.db2.gz XMOXYHLJCQWIBE-NSHDSACASA-N 1 1 308.338 1.336 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595500165 356519732 /nfs/dbraw/zinc/51/97/32/356519732.db2.gz XMOXYHLJCQWIBE-NSHDSACASA-N 1 1 308.338 1.336 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595528002 356534610 /nfs/dbraw/zinc/53/46/10/356534610.db2.gz PYZVJSDWAHZNQM-QJPTWQEYSA-N 1 1 311.338 1.253 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756048 356637717 /nfs/dbraw/zinc/63/77/17/356637717.db2.gz CLCKXVTXSKVLDJ-BLLLJJGKSA-N 1 1 319.361 1.689 20 5 DDBDMO O=C(CC[N@H+]1CCC2(COC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595834298 356670113 /nfs/dbraw/zinc/67/01/13/356670113.db2.gz OIIKSTAHCPMVFK-UHFFFAOYSA-N 1 1 305.334 1.646 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC4(COC4)C3)n2)cc1 ZINC000595835709 356671517 /nfs/dbraw/zinc/67/15/17/356671517.db2.gz WYVOWIUBRDKAML-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC4(COC4)C3)n2)cc1 ZINC000595835709 356671519 /nfs/dbraw/zinc/67/15/19/356671519.db2.gz WYVOWIUBRDKAML-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829826 356668287 /nfs/dbraw/zinc/66/82/87/356668287.db2.gz ILBFDPUHCPWWIL-RYUDHWBXSA-N 1 1 305.334 1.502 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829826 356668291 /nfs/dbraw/zinc/66/82/91/356668291.db2.gz ILBFDPUHCPWWIL-RYUDHWBXSA-N 1 1 305.334 1.502 20 5 DDBDMO CC12CC(C1)C[N@@H+]2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595917365 356704118 /nfs/dbraw/zinc/70/41/18/356704118.db2.gz YXTBXMBELXECDN-UHFFFAOYSA-N 1 1 301.346 1.968 20 5 DDBDMO CC12CC(C1)C[N@H+]2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595917365 356704123 /nfs/dbraw/zinc/70/41/23/356704123.db2.gz YXTBXMBELXECDN-UHFFFAOYSA-N 1 1 301.346 1.968 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000596170407 356800953 /nfs/dbraw/zinc/80/09/53/356800953.db2.gz ZLDJJQKPHSKJST-RISCZKNCSA-N 1 1 318.377 1.614 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596309369 356853425 /nfs/dbraw/zinc/85/34/25/356853425.db2.gz ZWZQPMFAGLRANO-JTQLQIEISA-N 1 1 321.381 1.621 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@H]3C1)OCCO2 ZINC000597231769 357103639 /nfs/dbraw/zinc/10/36/39/357103639.db2.gz QPCOVUIOGUDPJM-DGCLKSJQSA-N 1 1 320.345 1.834 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000597666646 357275684 /nfs/dbraw/zinc/27/56/84/357275684.db2.gz LHXMSXQJSQXPAX-UHFFFAOYSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597924406 357383552 /nfs/dbraw/zinc/38/35/52/357383552.db2.gz QTWGNTWODCRWDZ-NSHDSACASA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597924406 357383555 /nfs/dbraw/zinc/38/35/55/357383555.db2.gz QTWGNTWODCRWDZ-NSHDSACASA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597925366 357385035 /nfs/dbraw/zinc/38/50/35/357385035.db2.gz NVQHULWRXQKFFS-GFCCVEGCSA-N 1 1 321.377 1.963 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218487 357497299 /nfs/dbraw/zinc/49/72/99/357497299.db2.gz GFYIFECFMIPLJL-GFCCVEGCSA-N 1 1 321.381 1.315 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000598341378 357543878 /nfs/dbraw/zinc/54/38/78/357543878.db2.gz ADCAFGLKQWERSU-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO CCOc1cc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000599651376 358008334 /nfs/dbraw/zinc/00/83/34/358008334.db2.gz GLHYKGCNFYALPO-TXEJJXNPSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[N@H+](CCN)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600718066 358294121 /nfs/dbraw/zinc/29/41/21/358294121.db2.gz VDFHWJWLWFKZIH-UHFFFAOYSA-N 1 1 310.354 1.213 20 5 DDBDMO CC[N@@H+](CCN)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000600718066 358294127 /nfs/dbraw/zinc/29/41/27/358294127.db2.gz VDFHWJWLWFKZIH-UHFFFAOYSA-N 1 1 310.354 1.213 20 5 DDBDMO CC(C)N1CC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000601116909 358409600 /nfs/dbraw/zinc/40/96/00/358409600.db2.gz RMRVVEDGQFUVLK-HNNXBMFYSA-N 1 1 314.345 1.986 20 5 DDBDMO CC[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601098679 358402105 /nfs/dbraw/zinc/40/21/05/358402105.db2.gz DGKLOSLXXOIMNP-UHFFFAOYSA-N 1 1 307.276 1.489 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280705261 215806707 /nfs/dbraw/zinc/80/67/07/215806707.db2.gz ISWGOMXRJUYGSB-OAHLLOKOSA-N 1 1 320.349 1.039 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@](O)(CO)C3)c2c1 ZINC000601173787 358432853 /nfs/dbraw/zinc/43/28/53/358432853.db2.gz HJDJZZQPMNDLCJ-HNNXBMFYSA-N 1 1 303.318 1.467 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000601970793 358759251 /nfs/dbraw/zinc/75/92/51/358759251.db2.gz QAJUUATZNRONTQ-HNNXBMFYSA-N 1 1 321.377 1.916 20 5 DDBDMO CCCCNC(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602438512 358976888 /nfs/dbraw/zinc/97/68/88/358976888.db2.gz FDQOPKCJKKJMSW-UHFFFAOYSA-N 1 1 323.397 1.457 20 5 DDBDMO CCOC(=O)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC1 ZINC000602450909 358984723 /nfs/dbraw/zinc/98/47/23/358984723.db2.gz LQUYBSQNVLFXDK-UHFFFAOYSA-N 1 1 310.354 1.494 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669475 359115327 /nfs/dbraw/zinc/11/53/27/359115327.db2.gz XOAODBILAHYYAQ-STQMWFEESA-N 1 1 308.382 1.967 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602687451 359125965 /nfs/dbraw/zinc/12/59/65/359125965.db2.gz WMROOACAHWDTER-NSHDSACASA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602687451 359125969 /nfs/dbraw/zinc/12/59/69/359125969.db2.gz WMROOACAHWDTER-NSHDSACASA-N 1 1 320.349 1.234 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602702315 359134592 /nfs/dbraw/zinc/13/45/92/359134592.db2.gz RNZCGOXHRKMXLB-AWEZNQCLSA-N 1 1 302.334 1.982 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602702315 359134598 /nfs/dbraw/zinc/13/45/98/359134598.db2.gz RNZCGOXHRKMXLB-AWEZNQCLSA-N 1 1 302.334 1.982 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000602796894 359198883 /nfs/dbraw/zinc/19/88/83/359198883.db2.gz UFYWZRMHBVPWPM-MCIONIFRSA-N 1 1 324.381 1.368 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000602796894 359198886 /nfs/dbraw/zinc/19/88/86/359198886.db2.gz UFYWZRMHBVPWPM-MCIONIFRSA-N 1 1 324.381 1.368 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000602801060 359201538 /nfs/dbraw/zinc/20/15/38/359201538.db2.gz ZEVHXBSCRDZPDM-UHFFFAOYSA-N 1 1 307.398 1.660 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874811 359257560 /nfs/dbraw/zinc/25/75/60/359257560.db2.gz RXDOQPQAVRNISH-TXEJJXNPSA-N 1 1 320.393 1.608 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901551 359283461 /nfs/dbraw/zinc/28/34/61/359283461.db2.gz ZZASTAKXRNCCNN-IUODEOHRSA-N 1 1 310.350 1.311 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000186782832 200009405 /nfs/dbraw/zinc/00/94/05/200009405.db2.gz XOESCZNWQSUUFI-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)nc1 ZINC000603417404 359627029 /nfs/dbraw/zinc/62/70/29/359627029.db2.gz YVAIIMLCFCNJMH-KBPBESRZSA-N 1 1 311.345 1.848 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609257965 360278683 /nfs/dbraw/zinc/27/86/83/360278683.db2.gz XYBHVQZVGCUKFM-VIFPVBQESA-N 1 1 307.306 1.148 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000609269840 360285385 /nfs/dbraw/zinc/28/53/85/360285385.db2.gz YDDLJIYVPZJVJP-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000609631760 360339901 /nfs/dbraw/zinc/33/99/01/360339901.db2.gz VPCPNGQEWWRJNU-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609584797 360329090 /nfs/dbraw/zinc/32/90/90/360329090.db2.gz IWBWVYPYXQCXTN-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572866 360473623 /nfs/dbraw/zinc/47/36/23/360473623.db2.gz PCWYNLYEAVHLFY-DZGCQCFKSA-N 1 1 310.350 1.037 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000612059420 360904000 /nfs/dbraw/zinc/90/40/00/360904000.db2.gz RSACOTZNVOHBFT-KGLIPLIRSA-N 1 1 324.377 1.693 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193389463 201043107 /nfs/dbraw/zinc/04/31/07/201043107.db2.gz LJCNPWNMZRQJME-CYBMUJFWSA-N 1 1 321.425 1.863 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000618875008 363781509 /nfs/dbraw/zinc/78/15/09/363781509.db2.gz UGYXEYOVXGPKHI-PHIMTYICSA-N 1 1 305.334 1.237 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253543 363946894 /nfs/dbraw/zinc/94/68/94/363946894.db2.gz YTAIDAHXHDPLKB-CABCVRRESA-N 1 1 321.352 1.782 20 5 DDBDMO COc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000619450048 364017175 /nfs/dbraw/zinc/01/71/75/364017175.db2.gz HUDLJPNBUHETGI-PHIMTYICSA-N 1 1 305.334 1.237 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](CC)C2CC2)c1[N+](=O)[O-] ZINC000264649479 204053850 /nfs/dbraw/zinc/05/38/50/204053850.db2.gz DXNVZELMKTUDGG-UHFFFAOYSA-N 1 1 309.370 1.485 20 5 DDBDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288343473 220096493 /nfs/dbraw/zinc/09/64/93/220096493.db2.gz JXMCWJSRBAIJOQ-SMDDNHRTSA-N 1 1 319.361 1.999 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288470088 220162765 /nfs/dbraw/zinc/16/27/65/220162765.db2.gz ORTNRKABGKNQEZ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288470088 220162770 /nfs/dbraw/zinc/16/27/70/220162770.db2.gz ORTNRKABGKNQEZ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1nn(C)c(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000267381289 206025139 /nfs/dbraw/zinc/02/51/39/206025139.db2.gz ZFPUWEONPGCJSX-UHFFFAOYSA-N 1 1 304.310 1.350 20 5 DDBDMO Cn1c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000336944003 249294427 /nfs/dbraw/zinc/29/44/27/249294427.db2.gz LYTHAQRJNGWFSB-NSHDSACASA-N 1 1 306.322 1.559 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042723100 183302218 /nfs/dbraw/zinc/30/22/18/183302218.db2.gz LKYZHXXKETWFFO-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000338587152 250042728 /nfs/dbraw/zinc/04/27/28/250042728.db2.gz IGMGFEOVSRQURM-CQSZACIVSA-N 1 1 311.313 1.330 20 5 DDBDMO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000105825353 194137516 /nfs/dbraw/zinc/13/75/16/194137516.db2.gz ZLMUXWNHUOOKLZ-UKRRQHHQSA-N 1 1 307.394 1.872 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921067 251277953 /nfs/dbraw/zinc/27/79/53/251277953.db2.gz XLEBANITEIXGNR-CMPLNLGQSA-N 1 1 321.333 1.348 20 5 DDBDMO CCC[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335523 194815329 /nfs/dbraw/zinc/81/53/29/194815329.db2.gz TVEKBXFCDNQSJE-UHFFFAOYSA-N 1 1 323.349 1.597 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2[nH+]ccn21 ZINC000352472827 285076308 /nfs/dbraw/zinc/07/63/08/285076308.db2.gz KQQZDCJJCYFPPH-CYBMUJFWSA-N 1 1 300.318 1.985 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC1CCC1 ZINC000352543614 285129662 /nfs/dbraw/zinc/12/96/62/285129662.db2.gz HGWDHEGNYNQVJR-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC1CCC1 ZINC000352543614 285129664 /nfs/dbraw/zinc/12/96/64/285129664.db2.gz HGWDHEGNYNQVJR-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547223 533095542 /nfs/dbraw/zinc/09/55/42/533095542.db2.gz KOXZQPCGCBWWTQ-CJNGLKHVSA-N 1 1 322.361 1.698 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352660392 285204729 /nfs/dbraw/zinc/20/47/29/285204729.db2.gz NUEHBPXFQUBLAS-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1[nH+]ccn1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352675266 285217015 /nfs/dbraw/zinc/21/70/15/285217015.db2.gz FOYAEJPSPBBGFR-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO COc1cc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352765925 285286088 /nfs/dbraw/zinc/28/60/88/285286088.db2.gz APMYHTHAQWMQFV-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000352783387 285298422 /nfs/dbraw/zinc/29/84/22/285298422.db2.gz XYLTUYKSUSAAAS-WDEREUQCSA-N 1 1 309.341 1.827 20 5 DDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836353 533530587 /nfs/dbraw/zinc/53/05/87/533530587.db2.gz BMXPNAAKLHINKJ-BFHYXJOUSA-N 1 1 324.381 1.042 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299533516 533660301 /nfs/dbraw/zinc/66/03/01/533660301.db2.gz MNTLRGMZDHUUPX-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452072015 533673382 /nfs/dbraw/zinc/67/33/82/533673382.db2.gz TWVVAQHRBWQYIP-UPJWGTAASA-N 1 1 310.350 1.037 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000013693507 406865995 /nfs/dbraw/zinc/86/59/95/406865995.db2.gz QKDKIBULJWOHNH-UHFFFAOYSA-N 1 1 315.333 1.291 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000037647823 406992328 /nfs/dbraw/zinc/99/23/28/406992328.db2.gz XRGUUUNRYZGTAI-JTQLQIEISA-N 1 1 313.379 1.362 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000103284351 407335722 /nfs/dbraw/zinc/33/57/22/407335722.db2.gz CYMNYYJODXLQQZ-PWSUYJOCSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000124983237 407375122 /nfs/dbraw/zinc/37/51/22/407375122.db2.gz RYCULNAIMWTWFD-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000124983237 407375123 /nfs/dbraw/zinc/37/51/23/407375123.db2.gz RYCULNAIMWTWFD-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794799 407455510 /nfs/dbraw/zinc/45/55/10/407455510.db2.gz MYMBIOUOXNCPSH-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541454 407551519 /nfs/dbraw/zinc/55/15/19/407551519.db2.gz QCHAPEJHYKOPMU-CJNGLKHVSA-N 1 1 318.377 1.888 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000271347255 407647462 /nfs/dbraw/zinc/64/74/62/407647462.db2.gz PGOWBHLFANAJPY-ZWNOBZJWSA-N 1 1 310.350 1.815 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000115435570 407680636 /nfs/dbraw/zinc/68/06/36/407680636.db2.gz PPDZJVOHHBJMFH-GFCCVEGCSA-N 1 1 323.397 1.327 20 5 DDBDMO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000115517105 407687779 /nfs/dbraw/zinc/68/77/79/407687779.db2.gz PCIZZRZAIWXZTP-ZDUSSCGKSA-N 1 1 308.382 1.845 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000117285214 407818294 /nfs/dbraw/zinc/81/82/94/407818294.db2.gz ZAWLYFQZOVEYOO-LBPRGKRZSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000117285214 407818299 /nfs/dbraw/zinc/81/82/99/407818299.db2.gz ZAWLYFQZOVEYOO-LBPRGKRZSA-N 1 1 321.377 1.696 20 5 DDBDMO CC(=O)NCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472825 407880808 /nfs/dbraw/zinc/88/08/08/407880808.db2.gz WZRBFZVCFLVUER-LBPRGKRZSA-N 1 1 307.354 1.002 20 5 DDBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000153985362 407946854 /nfs/dbraw/zinc/94/68/54/407946854.db2.gz INPQNSPQKYHIRA-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000153985362 407946861 /nfs/dbraw/zinc/94/68/61/407946861.db2.gz INPQNSPQKYHIRA-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC000134960433 407954385 /nfs/dbraw/zinc/95/43/85/407954385.db2.gz RCXZDHVYKPROOM-UHFFFAOYSA-N 1 1 309.370 1.702 20 5 DDBDMO C[N@H+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000134960433 407954392 /nfs/dbraw/zinc/95/43/92/407954392.db2.gz RCXZDHVYKPROOM-UHFFFAOYSA-N 1 1 309.370 1.702 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000134960433 407954398 /nfs/dbraw/zinc/95/43/98/407954398.db2.gz RCXZDHVYKPROOM-UHFFFAOYSA-N 1 1 309.370 1.702 20 5 DDBDMO Cc1c(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000154024629 407955164 /nfs/dbraw/zinc/95/51/64/407955164.db2.gz NSXBPFQOMKQSSA-SCRDCRAPSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1c(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000154024629 407955179 /nfs/dbraw/zinc/95/51/79/407955179.db2.gz NSXBPFQOMKQSSA-SCRDCRAPSA-N 1 1 324.377 1.752 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000154057678 407962114 /nfs/dbraw/zinc/96/21/14/407962114.db2.gz RJPBPZLNLBXRJR-OAHLLOKOSA-N 1 1 321.377 1.772 20 5 DDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000181330664 407982017 /nfs/dbraw/zinc/98/20/17/407982017.db2.gz ZEPSXCHONSRGOP-LLVKDONJSA-N 1 1 321.362 1.177 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000180854385 407925060 /nfs/dbraw/zinc/92/50/60/407925060.db2.gz XSNCBTBHPRGMNV-UWVGGRQHSA-N 1 1 304.350 1.532 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268171916 407925817 /nfs/dbraw/zinc/92/58/17/407925817.db2.gz QTWXJGVYMYZILG-QMTHXVAHSA-N 1 1 318.377 1.849 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272583422 407995079 /nfs/dbraw/zinc/99/50/79/407995079.db2.gz SCPUYFHGWOPXRK-SNVBAGLBSA-N 1 1 313.304 1.755 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175227488 408082380 /nfs/dbraw/zinc/08/23/80/408082380.db2.gz YHOAXYVTQRDGGQ-NSHDSACASA-N 1 1 307.350 1.691 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000175236182 408084757 /nfs/dbraw/zinc/08/47/57/408084757.db2.gz OQIPSRYHPSMBEQ-HNNXBMFYSA-N 1 1 324.377 1.967 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000175236182 408084761 /nfs/dbraw/zinc/08/47/61/408084761.db2.gz OQIPSRYHPSMBEQ-HNNXBMFYSA-N 1 1 324.377 1.967 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000182240979 408101938 /nfs/dbraw/zinc/10/19/38/408101938.db2.gz USQXRHZWBVNUCK-ZIAGYGMSSA-N 1 1 321.377 1.115 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000182327765 408128783 /nfs/dbraw/zinc/12/87/83/408128783.db2.gz BRYXPVRCDXDQOW-AWEZNQCLSA-N 1 1 324.377 1.693 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155525965 408178015 /nfs/dbraw/zinc/17/80/15/408178015.db2.gz SUENZZMPOSULBG-HIFRSBDPSA-N 1 1 319.361 1.695 20 5 DDBDMO CC[N@@H+](CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-])C1CC1 ZINC000190171408 408182240 /nfs/dbraw/zinc/18/22/40/408182240.db2.gz APONCDIHUFDLOP-UHFFFAOYSA-N 1 1 308.338 1.673 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC000268841225 408216311 /nfs/dbraw/zinc/21/63/11/408216311.db2.gz ORDNHJNRPJQWCJ-GXFFZTMASA-N 1 1 319.365 1.009 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000269486721 408327098 /nfs/dbraw/zinc/32/70/98/408327098.db2.gz WYYQNNQBUAIJTO-UHFFFAOYSA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000269486721 408327114 /nfs/dbraw/zinc/32/71/14/408327114.db2.gz WYYQNNQBUAIJTO-UHFFFAOYSA-N 1 1 321.381 1.752 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246736791 408327550 /nfs/dbraw/zinc/32/75/50/408327550.db2.gz FXMPYNZSXRJGBW-GXTWGEPZSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000269338966 408272474 /nfs/dbraw/zinc/27/24/74/408272474.db2.gz BOFAGCIDDGIGHX-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000269338966 408272478 /nfs/dbraw/zinc/27/24/78/408272478.db2.gz BOFAGCIDDGIGHX-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000273948041 408299783 /nfs/dbraw/zinc/29/97/83/408299783.db2.gz MKHZVNSZCZMZOZ-LBPRGKRZSA-N 1 1 309.370 1.322 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176833776 408454254 /nfs/dbraw/zinc/45/42/54/408454254.db2.gz QQYIQOGNKPVBQL-GFCCVEGCSA-N 1 1 304.350 1.487 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000176833776 408454263 /nfs/dbraw/zinc/45/42/63/408454263.db2.gz QQYIQOGNKPVBQL-GFCCVEGCSA-N 1 1 304.350 1.487 20 5 DDBDMO COc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)ccc1O ZINC000177050049 408505751 /nfs/dbraw/zinc/50/57/51/408505751.db2.gz RKZGVOUSPCVLIO-UHFFFAOYSA-N 1 1 306.322 1.638 20 5 DDBDMO C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551594 408575195 /nfs/dbraw/zinc/57/51/95/408575195.db2.gz BLHSPPCOVNJLTH-SMDDNHRTSA-N 1 1 305.338 1.240 20 5 DDBDMO COC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000265211755 408580465 /nfs/dbraw/zinc/58/04/65/408580465.db2.gz VOUIKPXEVMITEM-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000248663926 408612355 /nfs/dbraw/zinc/61/23/55/408612355.db2.gz KHRLFCIDMYATHE-VXGBXAGGSA-N 1 1 323.397 1.661 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761444 408670362 /nfs/dbraw/zinc/67/03/62/408670362.db2.gz MTKAFFZOLWEBHW-GHMZBOCLSA-N 1 1 309.370 1.179 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275905569 408714821 /nfs/dbraw/zinc/71/48/21/408714821.db2.gz SOEQNLYZTVVHCH-BPLDGKMQSA-N 1 1 324.377 1.570 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000251696820 408785855 /nfs/dbraw/zinc/78/58/55/408785855.db2.gz IRBPJCRBIVCFJP-NEPJUHHUSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000251696820 408785857 /nfs/dbraw/zinc/78/58/57/408785857.db2.gz IRBPJCRBIVCFJP-NEPJUHHUSA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164178076 408795561 /nfs/dbraw/zinc/79/55/61/408795561.db2.gz GDDDNOYPMJEKNM-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000164178076 408795564 /nfs/dbraw/zinc/79/55/64/408795564.db2.gz GDDDNOYPMJEKNM-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000164178076 408795567 /nfs/dbraw/zinc/79/55/67/408795567.db2.gz GDDDNOYPMJEKNM-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249598807 408748865 /nfs/dbraw/zinc/74/88/65/408748865.db2.gz XQEUANFUPUBRKP-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000290833417 408841749 /nfs/dbraw/zinc/84/17/49/408841749.db2.gz UXFPDBAXXIBVPH-CYBMUJFWSA-N 1 1 317.349 1.308 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2C[NH+](CC3(O)CCOCC3)C2)cc1 ZINC000276393833 408847857 /nfs/dbraw/zinc/84/78/57/408847857.db2.gz SHEUFUQBYGNUBA-UHFFFAOYSA-N 1 1 308.334 1.199 20 5 DDBDMO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286095782 408922529 /nfs/dbraw/zinc/92/25/29/408922529.db2.gz NJHBXOXQICRBMS-ZDMBXUJBSA-N 1 1 317.349 1.587 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000194674914 163292223 /nfs/dbraw/zinc/29/22/23/163292223.db2.gz URQBTPAUYGHSFP-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000277721541 408999008 /nfs/dbraw/zinc/99/90/08/408999008.db2.gz JFNYJKUPLUQVRD-KOLCDFICSA-N 1 1 322.287 1.427 20 5 DDBDMO CC[N@@H+](CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C1CC1 ZINC000287718405 409080483 /nfs/dbraw/zinc/08/04/83/409080483.db2.gz FSJGDHSNKPQJDU-UHFFFAOYSA-N 1 1 322.365 1.981 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293974581 409218931 /nfs/dbraw/zinc/21/89/31/409218931.db2.gz UYRLUIOKSDHMQK-LSDHHAIUSA-N 1 1 319.361 1.530 20 5 DDBDMO CN(C[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306650 409245948 /nfs/dbraw/zinc/24/59/48/409245948.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 1 1 307.394 1.524 20 5 DDBDMO Cc1c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295056434 409311417 /nfs/dbraw/zinc/31/14/17/409311417.db2.gz AZFQBNRVCAZILP-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280537995 409347494 /nfs/dbraw/zinc/34/74/94/409347494.db2.gz PLMLNRRPYFNXOW-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280537995 409347501 /nfs/dbraw/zinc/34/75/01/409347501.db2.gz PLMLNRRPYFNXOW-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285393347 409425782 /nfs/dbraw/zinc/42/57/82/409425782.db2.gz XGDODKWQKXMXBR-KBPBESRZSA-N 1 1 319.361 1.448 20 5 DDBDMO C[C@H](CCC[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313633749 164010711 /nfs/dbraw/zinc/01/07/11/164010711.db2.gz HJXPKXZBZKJZHS-MRVPVSSYSA-N 1 1 305.331 1.140 20 5 DDBDMO Nc1c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000317069886 164025563 /nfs/dbraw/zinc/02/55/63/164025563.db2.gz JHEDHRGBJPQLLU-NSHDSACASA-N 1 1 304.350 1.487 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000319331327 164036112 /nfs/dbraw/zinc/03/61/12/164036112.db2.gz RQRARFNGMINGKT-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321307592 164043765 /nfs/dbraw/zinc/04/37/65/164043765.db2.gz CRQAVIMZPOZAPU-AAEUAGOBSA-N 1 1 318.377 1.876 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357033730 164136788 /nfs/dbraw/zinc/13/67/88/164136788.db2.gz IAPOWWFQHOFVHW-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)CN(C)C ZINC000344855577 409532270 /nfs/dbraw/zinc/53/22/70/409532270.db2.gz GJJFEKCRZUZRGL-WDBUWWRISA-N 1 1 307.394 1.900 20 5 DDBDMO C[N@@H+](CC(C)(C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304737532 409641137 /nfs/dbraw/zinc/64/11/37/409641137.db2.gz SNZZUVMELBEAEU-CYBMUJFWSA-N 1 1 307.350 1.403 20 5 DDBDMO COc1c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000356745533 409570522 /nfs/dbraw/zinc/57/05/22/409570522.db2.gz OJECNHLAZLKMMZ-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000354405381 409831053 /nfs/dbraw/zinc/83/10/53/409831053.db2.gz UQPXDKDFALEWRQ-JQWIXIFHSA-N 1 1 323.397 1.582 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342870933 409962177 /nfs/dbraw/zinc/96/21/77/409962177.db2.gz BXMBYNJVOBLLNZ-JTQLQIEISA-N 1 1 302.334 1.758 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357460898 410051844 /nfs/dbraw/zinc/05/18/44/410051844.db2.gz RRFGCWKBNDADCO-VHSXEESVSA-N 1 1 307.354 1.008 20 5 DDBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1CCOC ZINC000346650303 410058916 /nfs/dbraw/zinc/05/89/16/410058916.db2.gz GLWCVTISFIXVIT-AWEZNQCLSA-N 1 1 308.382 1.927 20 5 DDBDMO COc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332671547 410203762 /nfs/dbraw/zinc/20/37/62/410203762.db2.gz ZQYJLPVWNKONAF-RYUDHWBXSA-N 1 1 319.361 1.912 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298776304 410392228 /nfs/dbraw/zinc/39/22/28/410392228.db2.gz DCVSZQLNBCNSEK-LLVKDONJSA-N 1 1 321.333 1.418 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343441163 410453573 /nfs/dbraw/zinc/45/35/73/410453573.db2.gz BXNVMZSQHMQHPT-RISCZKNCSA-N 1 1 307.350 1.573 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]CC1(F)F ZINC000343446740 410458634 /nfs/dbraw/zinc/45/86/34/410458634.db2.gz BTJINMSUCSXYKB-NSHDSACASA-N 1 1 313.304 1.498 20 5 DDBDMO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355430141 410511856 /nfs/dbraw/zinc/51/18/56/410511856.db2.gz JPVVVNXERYXBLN-UHFFFAOYSA-N 1 1 300.278 1.537 20 5 DDBDMO CC[N@@H+](C[C@@H](C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187445 410534230 /nfs/dbraw/zinc/53/42/30/410534230.db2.gz RVSQBMIKZPBOPA-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000299238407 410576157 /nfs/dbraw/zinc/57/61/57/410576157.db2.gz VVEIUZWBABYRMX-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO CNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301208213 410674880 /nfs/dbraw/zinc/67/48/80/410674880.db2.gz QSUUCKRHZVLQKG-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)Cc2cc(O)ccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000330444179 410696406 /nfs/dbraw/zinc/69/64/06/410696406.db2.gz GIDLSECHRZNAJI-JSGCOSHPSA-N 1 1 309.366 1.451 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)Cc2cc(O)ccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000330444179 410696412 /nfs/dbraw/zinc/69/64/12/410696412.db2.gz GIDLSECHRZNAJI-JSGCOSHPSA-N 1 1 309.366 1.451 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302451478 410842642 /nfs/dbraw/zinc/84/26/42/410842642.db2.gz SDOGDQRANUIJSO-JTQLQIEISA-N 1 1 310.310 1.006 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302451478 410842648 /nfs/dbraw/zinc/84/26/48/410842648.db2.gz SDOGDQRANUIJSO-JTQLQIEISA-N 1 1 310.310 1.006 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000353205191 410850172 /nfs/dbraw/zinc/85/01/72/410850172.db2.gz OVFIVLSTNXZBLK-NSHDSACASA-N 1 1 323.349 1.860 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750018 410858456 /nfs/dbraw/zinc/85/84/56/410858456.db2.gz GWKLHYSZFDCPBI-MWLCHTKSSA-N 1 1 320.349 1.814 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085595 410947432 /nfs/dbraw/zinc/94/74/32/410947432.db2.gz SLPDWASCHPXQQN-GLQYFDAESA-N 1 1 319.361 1.260 20 5 DDBDMO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356509436 411061646 /nfs/dbraw/zinc/06/16/46/411061646.db2.gz FLMDJMGJDFCSGF-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356509436 411061650 /nfs/dbraw/zinc/06/16/50/411061650.db2.gz FLMDJMGJDFCSGF-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(F)c1 ZINC000344296286 411077094 /nfs/dbraw/zinc/07/70/94/411077094.db2.gz BCUIWLHTZVHIGJ-GFCCVEGCSA-N 1 1 316.354 1.791 20 5 DDBDMO Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010076 226003463 /nfs/dbraw/zinc/00/34/63/226003463.db2.gz YFVAZCJARKURGQ-NWDGAFQWSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010076 226003465 /nfs/dbraw/zinc/00/34/65/226003465.db2.gz YFVAZCJARKURGQ-NWDGAFQWSA-N 1 1 311.357 1.934 20 5 DDBDMO O=C([C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000360851937 418532625 /nfs/dbraw/zinc/53/26/25/418532625.db2.gz SPGJPYRQAZWEFV-AWEZNQCLSA-N 1 1 321.381 1.268 20 5 DDBDMO O=C([C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000360851937 418532627 /nfs/dbraw/zinc/53/26/27/418532627.db2.gz SPGJPYRQAZWEFV-AWEZNQCLSA-N 1 1 321.381 1.268 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294231590 418583691 /nfs/dbraw/zinc/58/36/91/418583691.db2.gz RNIGAPARVNNCMZ-OAHLLOKOSA-N 1 1 321.381 1.044 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466475 418642914 /nfs/dbraw/zinc/64/29/14/418642914.db2.gz UTCJBFGAKJUZCT-LLVKDONJSA-N 1 1 318.337 1.541 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361420904 418649566 /nfs/dbraw/zinc/64/95/66/418649566.db2.gz QAXSHOGOBAIZDJ-CYBMUJFWSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361420904 418649569 /nfs/dbraw/zinc/64/95/69/418649569.db2.gz QAXSHOGOBAIZDJ-CYBMUJFWSA-N 1 1 307.350 1.687 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000361342566 418630023 /nfs/dbraw/zinc/63/00/23/418630023.db2.gz NLRPSRQTIDVRPF-KFWWJZLASA-N 1 1 303.362 1.432 20 5 DDBDMO COc1cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361585430 418686046 /nfs/dbraw/zinc/68/60/46/418686046.db2.gz IIPOHVDRKVSNAG-YPMHNXCESA-N 1 1 310.350 1.575 20 5 DDBDMO COc1cc(C[N@@H+](C)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000362050258 418744836 /nfs/dbraw/zinc/74/48/36/418744836.db2.gz NTOPZQZPADPFTM-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000364985508 418828973 /nfs/dbraw/zinc/82/89/73/418828973.db2.gz QYMHSAMEYILDQI-SNVBAGLBSA-N 1 1 315.320 1.766 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000372973150 418917460 /nfs/dbraw/zinc/91/74/60/418917460.db2.gz JCTIBSAUMWBMQP-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@@H+](CCCF)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976228 419397993 /nfs/dbraw/zinc/39/79/93/419397993.db2.gz SFSHQXMUEQVTJR-UHFFFAOYSA-N 1 1 319.358 1.165 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CCO ZINC000426266025 419428141 /nfs/dbraw/zinc/42/81/41/419428141.db2.gz INNOIXYUSGPGHF-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000426266025 419428150 /nfs/dbraw/zinc/42/81/50/419428150.db2.gz INNOIXYUSGPGHF-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000421008938 419446298 /nfs/dbraw/zinc/44/62/98/419446298.db2.gz HHEWYXVBYPLVEQ-YGRLFVJLSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000421008938 419446306 /nfs/dbraw/zinc/44/63/06/419446306.db2.gz HHEWYXVBYPLVEQ-YGRLFVJLSA-N 1 1 308.334 1.807 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000418122954 419553557 /nfs/dbraw/zinc/55/35/57/419553557.db2.gz YGKIXUWHGVKXNG-ZIAGYGMSSA-N 1 1 307.394 1.790 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CN)CCC1 ZINC000420319524 420204463 /nfs/dbraw/zinc/20/44/63/420204463.db2.gz AKTDJUXRXSTUMY-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CN)CCC1 ZINC000420319524 420204466 /nfs/dbraw/zinc/20/44/66/420204466.db2.gz AKTDJUXRXSTUMY-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1CC([NH3+])C1 ZINC000420323270 420208928 /nfs/dbraw/zinc/20/89/28/420208928.db2.gz BFUXUTZHYLWIES-UHFFFAOYSA-N 1 1 322.365 1.354 20 5 DDBDMO Cc1ccsc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781967 420465855 /nfs/dbraw/zinc/46/58/55/420465855.db2.gz AAUIHMJDCILHFT-GFCCVEGCSA-N 1 1 310.379 1.654 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000457084525 420604937 /nfs/dbraw/zinc/60/49/37/420604937.db2.gz LOJAIMPTDCJHML-AWEZNQCLSA-N 1 1 321.377 1.915 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069486 420619414 /nfs/dbraw/zinc/61/94/14/420619414.db2.gz PZPKGFHNALMULA-NEPJUHHUSA-N 1 1 310.350 1.685 20 5 DDBDMO CC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700486 420919302 /nfs/dbraw/zinc/91/93/02/420919302.db2.gz XREIQTVPRSKORQ-DIECRNLCSA-N 1 1 307.325 1.958 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459727659 420858633 /nfs/dbraw/zinc/85/86/33/420858633.db2.gz RADGWICRIFVNAM-OIQJVACTSA-N 1 1 306.362 1.817 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCCC1 ZINC000449093012 420949248 /nfs/dbraw/zinc/94/92/48/420949248.db2.gz NUYUDQLDHRTGPJ-UKRRQHHQSA-N 1 1 307.394 1.572 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCC1 ZINC000449093012 420949250 /nfs/dbraw/zinc/94/92/50/420949250.db2.gz NUYUDQLDHRTGPJ-UKRRQHHQSA-N 1 1 307.394 1.572 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799332 421118140 /nfs/dbraw/zinc/11/81/40/421118140.db2.gz KJQKZVIWGSCKEF-DGCLKSJQSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000456220279 421125884 /nfs/dbraw/zinc/12/58/84/421125884.db2.gz DKYOPRBZSBGLHW-TXEJJXNPSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000456220279 421125887 /nfs/dbraw/zinc/12/58/87/421125887.db2.gz DKYOPRBZSBGLHW-TXEJJXNPSA-N 1 1 307.350 1.122 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000456340487 421143652 /nfs/dbraw/zinc/14/36/52/421143652.db2.gz DMAYOKSFELMQFK-LLVKDONJSA-N 1 1 309.370 1.193 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000456340487 421143655 /nfs/dbraw/zinc/14/36/55/421143655.db2.gz DMAYOKSFELMQFK-LLVKDONJSA-N 1 1 309.370 1.193 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000456346708 421144962 /nfs/dbraw/zinc/14/49/62/421144962.db2.gz IZODHVMDSDDVTK-LBPRGKRZSA-N 1 1 306.366 1.855 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000456346708 421144966 /nfs/dbraw/zinc/14/49/66/421144966.db2.gz IZODHVMDSDDVTK-LBPRGKRZSA-N 1 1 306.366 1.855 20 5 DDBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490065429 421188431 /nfs/dbraw/zinc/18/84/31/421188431.db2.gz WHLRLPIYPYEFKF-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490043245 421187060 /nfs/dbraw/zinc/18/70/60/421187060.db2.gz BFCPJTYOEJVIHJ-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@@H+](C)C1CC1 ZINC000524359403 421258598 /nfs/dbraw/zinc/25/85/98/421258598.db2.gz SUFDPVCYNDQZKS-SECBINFHSA-N 1 1 321.333 1.536 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CO ZINC000546105719 421285107 /nfs/dbraw/zinc/28/51/07/421285107.db2.gz XFKWRXBLJKMOBS-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(C)CO ZINC000546105719 421285111 /nfs/dbraw/zinc/28/51/11/421285111.db2.gz XFKWRXBLJKMOBS-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000525291585 421285761 /nfs/dbraw/zinc/28/57/61/421285761.db2.gz KMTVASBYQLHLIX-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000526026668 421324607 /nfs/dbraw/zinc/32/46/07/421324607.db2.gz YSJZUOFDGSTGER-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755797 421363371 /nfs/dbraw/zinc/36/33/71/421363371.db2.gz AFWFOVWHCOSHSN-AXFHLTTASA-N 1 1 309.370 1.414 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000519643609 421713326 /nfs/dbraw/zinc/71/33/26/421713326.db2.gz WSUGYLISVYPOJL-OLZOCXBDSA-N 1 1 320.393 1.996 20 5 DDBDMO CNc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000520371551 421748255 /nfs/dbraw/zinc/74/82/55/421748255.db2.gz XGPMTTOAUPVEFC-CYBMUJFWSA-N 1 1 318.377 1.945 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000522167699 421817771 /nfs/dbraw/zinc/81/77/71/421817771.db2.gz YXZPBYLRAOAIBT-SNVBAGLBSA-N 1 1 308.338 1.156 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCCC1=O ZINC000522165427 421817799 /nfs/dbraw/zinc/81/77/99/421817799.db2.gz SCGUNYMQGZFZFE-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000522188790 421819155 /nfs/dbraw/zinc/81/91/55/421819155.db2.gz IPOGNXAPVPBNEK-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580929552 421865137 /nfs/dbraw/zinc/86/51/37/421865137.db2.gz AELAQLHYCOGKQJ-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1[N+](=O)[O-] ZINC000581436403 421972744 /nfs/dbraw/zinc/97/27/44/421972744.db2.gz GUTNKHSTDHEGBF-UHFFFAOYSA-N 1 1 321.381 1.614 20 5 DDBDMO C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000343921694 271909265 /nfs/dbraw/zinc/90/92/65/271909265.db2.gz VFKPXCAFZKVMBN-IUODEOHRSA-N 1 1 321.377 1.411 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264553280 277045281 /nfs/dbraw/zinc/04/52/81/277045281.db2.gz SBTYMDMGBUGNEY-OAHLLOKOSA-N 1 1 319.409 1.596 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672220 278000710 /nfs/dbraw/zinc/00/07/10/278000710.db2.gz TYOQGPOYXPPVKK-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672220 278000711 /nfs/dbraw/zinc/00/07/11/278000711.db2.gz TYOQGPOYXPPVKK-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672220 278000714 /nfs/dbraw/zinc/00/07/14/278000714.db2.gz TYOQGPOYXPPVKK-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261746498 294436271 /nfs/dbraw/zinc/43/62/71/294436271.db2.gz OQDMUYAUXDNCTE-SECBINFHSA-N 1 1 321.362 1.177 20 5 DDBDMO CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000354233670 298375617 /nfs/dbraw/zinc/37/56/17/298375617.db2.gz AMGAJODIZOSZPC-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094665 300209850 /nfs/dbraw/zinc/20/98/50/300209850.db2.gz GGYUPMQZFODIRT-KGLIPLIRSA-N 1 1 320.349 1.580 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363099275 300210960 /nfs/dbraw/zinc/21/09/60/300210960.db2.gz FQVFTMVTMDHMAQ-STQMWFEESA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCOCC1 ZINC000363379029 300259860 /nfs/dbraw/zinc/25/98/60/300259860.db2.gz JQLNMWGOJHXXRL-UHFFFAOYSA-N 1 1 307.350 1.954 20 5 DDBDMO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000368804895 301090056 /nfs/dbraw/zinc/09/00/56/301090056.db2.gz JTJXZFHMJMFIFD-STQMWFEESA-N 1 1 309.391 1.494 20 5 DDBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000531918229 303265943 /nfs/dbraw/zinc/26/59/43/303265943.db2.gz APWQKZBWFCKHIR-TZMCWYRMSA-N 1 1 322.365 1.296 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000532909338 303301692 /nfs/dbraw/zinc/30/16/92/303301692.db2.gz FJRGVMMFGFAROE-NSHDSACASA-N 1 1 323.397 1.901 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000362075629 307013103 /nfs/dbraw/zinc/01/31/03/307013103.db2.gz ISMIGBUSOBAZOO-WCQYABFASA-N 1 1 319.361 1.044 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362254292 307015651 /nfs/dbraw/zinc/01/56/51/307015651.db2.gz ZFTWMTJZXLPMRR-GFCCVEGCSA-N 1 1 308.382 1.737 20 5 DDBDMO COc1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1[N+](=O)[O-] ZINC000363938666 307038209 /nfs/dbraw/zinc/03/82/09/307038209.db2.gz PIERUSWZGFHYBY-GFCCVEGCSA-N 1 1 302.334 1.974 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367642907 307099958 /nfs/dbraw/zinc/09/99/58/307099958.db2.gz JTIJXUCDNOEYII-UHFFFAOYSA-N 1 1 315.333 1.640 20 5 DDBDMO O=C(NCc1c[nH+]c2n1CCCC2)Nc1ccncc1[N+](=O)[O-] ZINC000375425101 307225645 /nfs/dbraw/zinc/22/56/45/307225645.db2.gz IVFYYQAWAHJKJR-UHFFFAOYSA-N 1 1 316.321 1.266 20 5 DDBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000531665064 307621696 /nfs/dbraw/zinc/62/16/96/307621696.db2.gz PIVDEXDLUCWNTJ-DGCLKSJQSA-N 1 1 322.365 1.296 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576974353 308353817 /nfs/dbraw/zinc/35/38/17/308353817.db2.gz ZDJLATICECYHGE-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000582368111 326020663 /nfs/dbraw/zinc/02/06/63/326020663.db2.gz VQYAXIPHHXFKIJ-UHFFFAOYSA-N 1 1 305.313 1.779 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451300860 534887302 /nfs/dbraw/zinc/88/73/02/534887302.db2.gz MREMEGJMKQVKRJ-IIAWOOMASA-N 1 1 306.362 1.957 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176801737 697406442 /nfs/dbraw/zinc/40/64/42/697406442.db2.gz YVPDCSSKVPRWKT-UHFFFAOYSA-N 1 1 313.329 1.350 20 5 DDBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000749388546 700161014 /nfs/dbraw/zinc/16/10/14/700161014.db2.gz ZJAHZXWXDHPHCQ-LBPRGKRZSA-N 1 1 318.377 1.794 20 5 DDBDMO COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526262 699321306 /nfs/dbraw/zinc/32/13/06/699321306.db2.gz ONTOHIGVDKCQEX-LBPRGKRZSA-N 1 1 310.398 1.796 20 5 DDBDMO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526262 699321310 /nfs/dbraw/zinc/32/13/10/699321310.db2.gz ONTOHIGVDKCQEX-LBPRGKRZSA-N 1 1 310.398 1.796 20 5 DDBDMO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526262 699321314 /nfs/dbraw/zinc/32/13/14/699321314.db2.gz ONTOHIGVDKCQEX-LBPRGKRZSA-N 1 1 310.398 1.796 20 5 DDBDMO COCCN(C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526262 699321318 /nfs/dbraw/zinc/32/13/18/699321318.db2.gz ONTOHIGVDKCQEX-LBPRGKRZSA-N 1 1 310.398 1.796 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788884097 699344559 /nfs/dbraw/zinc/34/45/59/699344559.db2.gz GKLLPUKOZPYGBM-QMMMGPOBSA-N 1 1 305.381 1.029 20 5 DDBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788884097 699344557 /nfs/dbraw/zinc/34/45/57/699344557.db2.gz GKLLPUKOZPYGBM-QMMMGPOBSA-N 1 1 305.381 1.029 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793934996 699787923 /nfs/dbraw/zinc/78/79/23/699787923.db2.gz JDLQHQHFLKWDPH-MNOVXSKESA-N 1 1 304.350 1.201 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000802135883 700370669 /nfs/dbraw/zinc/37/06/69/700370669.db2.gz BLZPXUWXMZVQGP-AWEZNQCLSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000802135883 700370671 /nfs/dbraw/zinc/37/06/71/700370671.db2.gz BLZPXUWXMZVQGP-AWEZNQCLSA-N 1 1 308.334 1.861 20 5 DDBDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC(O)C1 ZINC000759874927 700778878 /nfs/dbraw/zinc/77/88/78/700778878.db2.gz STFJULTUSMQTNU-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC(O)C1 ZINC000759874927 700778880 /nfs/dbraw/zinc/77/88/80/700778880.db2.gz STFJULTUSMQTNU-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074559 700839083 /nfs/dbraw/zinc/83/90/83/700839083.db2.gz CRUHNLGPUIYJJU-GFCCVEGCSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074559 700839085 /nfs/dbraw/zinc/83/90/85/700839085.db2.gz CRUHNLGPUIYJJU-GFCCVEGCSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074559 700839088 /nfs/dbraw/zinc/83/90/88/700839088.db2.gz CRUHNLGPUIYJJU-GFCCVEGCSA-N 1 1 320.393 1.868 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000804520571 701197386 /nfs/dbraw/zinc/19/73/86/701197386.db2.gz GEWLUOKDGQLKFQ-LLVKDONJSA-N 1 1 322.365 1.981 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000804777707 701211941 /nfs/dbraw/zinc/21/19/41/701211941.db2.gz JCEATWGOIDGPEV-LBPRGKRZSA-N 1 1 306.366 1.781 20 5 DDBDMO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840339582 702075592 /nfs/dbraw/zinc/07/55/92/702075592.db2.gz XCIWCTGPPNEESQ-ZIAGYGMSSA-N 1 1 307.350 1.621 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866204651 706648149 /nfs/dbraw/zinc/64/81/49/706648149.db2.gz FMUURESLXBONGC-FZMZJTMJSA-N 1 1 318.377 1.485 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949335 702233458 /nfs/dbraw/zinc/23/34/58/702233458.db2.gz TUIPTCMYZSUVIR-GXFFZTMASA-N 1 1 304.350 1.262 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000843113555 702821560 /nfs/dbraw/zinc/82/15/60/702821560.db2.gz WZPCSHJMYZXRBC-GDBMZVCRSA-N 1 1 323.393 1.065 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844448733 703033046 /nfs/dbraw/zinc/03/30/46/703033046.db2.gz GSFHVDIUPZWQGM-WCFLWFBJSA-N 1 1 314.288 1.531 20 5 DDBDMO COCCC[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474620 703554634 /nfs/dbraw/zinc/55/46/34/703554634.db2.gz FFFXIHNSNCUYBI-HNNXBMFYSA-N 1 1 321.377 1.837 20 5 DDBDMO C[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000848478689 703555011 /nfs/dbraw/zinc/55/50/11/703555011.db2.gz QURMULKENIFCHM-HUUCEWRRSA-N 1 1 319.361 1.589 20 5 DDBDMO C[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000848478689 703555013 /nfs/dbraw/zinc/55/50/13/703555013.db2.gz QURMULKENIFCHM-HUUCEWRRSA-N 1 1 319.361 1.589 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000852314409 704007743 /nfs/dbraw/zinc/00/77/43/704007743.db2.gz SKLMQWZKHGTNQG-WFASDCNBSA-N 1 1 317.349 1.242 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534769 704069817 /nfs/dbraw/zinc/06/98/17/704069817.db2.gz PNXFOWLMAUMQOX-FZMZJTMJSA-N 1 1 307.306 1.971 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534769 704069818 /nfs/dbraw/zinc/06/98/18/704069818.db2.gz PNXFOWLMAUMQOX-FZMZJTMJSA-N 1 1 307.306 1.971 20 5 DDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819177548 704082147 /nfs/dbraw/zinc/08/21/47/704082147.db2.gz OFNDMLVRVBEVSI-BONVTDFDSA-N 1 1 304.350 1.881 20 5 DDBDMO CC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870861548 704148050 /nfs/dbraw/zinc/14/80/50/704148050.db2.gz BPPDIXCZNGWPER-ZFWWWQNUSA-N 1 1 307.350 1.406 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855165888 704471954 /nfs/dbraw/zinc/47/19/54/704471954.db2.gz ZTRFKZQOFIPPEU-SECBINFHSA-N 1 1 324.356 1.919 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000822301750 704910860 /nfs/dbraw/zinc/91/08/60/704910860.db2.gz YXEZIJRQLLCYAS-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000822301750 704910863 /nfs/dbraw/zinc/91/08/63/704910863.db2.gz YXEZIJRQLLCYAS-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836389 705193558 /nfs/dbraw/zinc/19/35/58/705193558.db2.gz CCQQCIVJAKQEKN-NEPJUHHUSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836389 705193560 /nfs/dbraw/zinc/19/35/60/705193560.db2.gz CCQQCIVJAKQEKN-NEPJUHHUSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836389 705193564 /nfs/dbraw/zinc/19/35/64/705193564.db2.gz CCQQCIVJAKQEKN-NEPJUHHUSA-N 1 1 321.381 1.579 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845925 705200851 /nfs/dbraw/zinc/20/08/51/705200851.db2.gz YUROPSXLQFQSHA-CABCVRRESA-N 1 1 319.361 1.669 20 5 DDBDMO CO[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876955683 705937175 /nfs/dbraw/zinc/93/71/75/705937175.db2.gz AMSUYRLCFUEGOZ-ZBFHGGJFSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827244431 705958881 /nfs/dbraw/zinc/95/88/81/705958881.db2.gz AKXCSFVTEVAQMZ-BPLDGKMQSA-N 1 1 319.361 1.181 20 5 DDBDMO CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993182 707272177 /nfs/dbraw/zinc/27/21/77/707272177.db2.gz MHTJCIKNHLKMQT-IAQYHMDHSA-N 1 1 322.361 1.759 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000878553789 706425794 /nfs/dbraw/zinc/42/57/94/706425794.db2.gz RUNVCLBSDZQOJO-ZDUSSCGKSA-N 1 1 301.350 1.984 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880169332 706899292 /nfs/dbraw/zinc/89/92/92/706899292.db2.gz QVCSXPIJVQBBTG-CQSZACIVSA-N 1 1 319.361 1.373 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000837609791 707695177 /nfs/dbraw/zinc/69/51/77/707695177.db2.gz PYUCAOIOIKCZHT-LLVKDONJSA-N 1 1 310.354 1.748 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882957617 707871040 /nfs/dbraw/zinc/87/10/40/707871040.db2.gz HKAOYMRMEVMAMK-CYBMUJFWSA-N 1 1 318.377 1.993 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912419 708180539 /nfs/dbraw/zinc/18/05/39/708180539.db2.gz XKDLMCQFQFUMHP-OTYXRUKQSA-N 1 1 303.322 1.519 20 5 DDBDMO Cn1cc(COC(=O)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])n1 ZINC000884504574 708318270 /nfs/dbraw/zinc/31/82/70/708318270.db2.gz LYAZYUVNFSVZON-GFCCVEGCSA-N 1 1 310.354 1.636 20 5 DDBDMO Cc1cc(F)cc(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000912607700 713047049 /nfs/dbraw/zinc/04/70/49/713047049.db2.gz JWWYPQBAADSPDP-UHFFFAOYSA-N 1 1 313.329 1.038 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886341153 708745706 /nfs/dbraw/zinc/74/57/06/708745706.db2.gz QPVDBLPQFOYRSP-PHIMTYICSA-N 1 1 305.334 1.884 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000886592997 708785441 /nfs/dbraw/zinc/78/54/41/708785441.db2.gz GMYOLXGHHNUJGO-GFCCVEGCSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000886592997 708785444 /nfs/dbraw/zinc/78/54/44/708785444.db2.gz GMYOLXGHHNUJGO-GFCCVEGCSA-N 1 1 320.393 1.979 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000887934536 709170716 /nfs/dbraw/zinc/17/07/16/709170716.db2.gz LHZPMTVPCLNEPU-MEDUHNTESA-N 1 1 319.361 1.627 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887938028 709173099 /nfs/dbraw/zinc/17/30/99/709173099.db2.gz WBAQVTVCBJTYOO-MEDUHNTESA-N 1 1 319.361 1.627 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000889636893 709568527 /nfs/dbraw/zinc/56/85/27/709568527.db2.gz HOINAFBUONVIDC-JSGCOSHPSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000889636893 709568532 /nfs/dbraw/zinc/56/85/32/709568532.db2.gz HOINAFBUONVIDC-JSGCOSHPSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1c(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000902342972 710723279 /nfs/dbraw/zinc/72/32/79/710723279.db2.gz LMTMIOYMJMHNTA-UHFFFAOYSA-N 1 1 307.350 1.542 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928453866 713204124 /nfs/dbraw/zinc/20/41/24/713204124.db2.gz OWSUDWXEZYAJAP-RYUDHWBXSA-N 1 1 306.366 1.606 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911761489 710970052 /nfs/dbraw/zinc/97/00/52/710970052.db2.gz QMAUTUUGADMJIH-UHFFFAOYSA-N 1 1 315.333 1.236 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000912021303 711126446 /nfs/dbraw/zinc/12/64/46/711126446.db2.gz KCVDNBDOXQCWKG-ZOWXZIJZSA-N 1 1 321.377 1.569 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000912237607 711238061 /nfs/dbraw/zinc/23/80/61/711238061.db2.gz LYDOVHZBXBCKGQ-HNNXBMFYSA-N 1 1 320.393 1.921 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@H]2Cc3c[nH+]cn3C2)c(Br)c1 ZINC000894995584 711355909 /nfs/dbraw/zinc/35/59/09/711355909.db2.gz DEISYQDDPDUMOI-ZETCQYMHSA-N 1 1 324.138 1.986 20 5 DDBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895739038 711591703 /nfs/dbraw/zinc/59/17/03/711591703.db2.gz AMOJNYWTCWUWIP-KOLCDFICSA-N 1 1 308.338 1.671 20 5 DDBDMO C[C@]1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]C1 ZINC000904343604 711843704 /nfs/dbraw/zinc/84/37/04/711843704.db2.gz WECBBEZFANWSCT-HNNXBMFYSA-N 1 1 307.398 1.818 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000931196522 714031312 /nfs/dbraw/zinc/03/13/12/714031312.db2.gz JGXXPAIJQVZAKD-UHFFFAOYSA-N 1 1 318.333 1.471 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000931196522 714031313 /nfs/dbraw/zinc/03/13/13/714031313.db2.gz JGXXPAIJQVZAKD-UHFFFAOYSA-N 1 1 318.333 1.471 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC000931459971 714102672 /nfs/dbraw/zinc/10/26/72/714102672.db2.gz CPFNJDDRWVUTRU-HZMBPMFUSA-N 1 1 302.334 1.971 20 5 DDBDMO O=C(CCN1CCn2cc[nH+]c21)Nc1cc([N+](=O)[O-])ccc1F ZINC000931521453 714118289 /nfs/dbraw/zinc/11/82/89/714118289.db2.gz JBZNSIIJNVNOKW-UHFFFAOYSA-N 1 1 319.296 1.779 20 5 DDBDMO Cc1nc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000931625779 714141503 /nfs/dbraw/zinc/14/15/03/714141503.db2.gz HMFOCJKORBKRKS-UHFFFAOYSA-N 1 1 316.365 1.386 20 5 DDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279992 714295713 /nfs/dbraw/zinc/29/57/13/714295713.db2.gz VYIQEPVYYNYJPW-CQSZACIVSA-N 1 1 309.366 1.018 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252498 714547506 /nfs/dbraw/zinc/54/75/06/714547506.db2.gz WZCZONOXYVYTPU-HNNXBMFYSA-N 1 1 322.409 1.419 20 5 DDBDMO CC(C)C[C@H]1CN(C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252498 714547509 /nfs/dbraw/zinc/54/75/09/714547509.db2.gz WZCZONOXYVYTPU-HNNXBMFYSA-N 1 1 322.409 1.419 20 5 DDBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933252498 714547513 /nfs/dbraw/zinc/54/75/13/714547513.db2.gz WZCZONOXYVYTPU-HNNXBMFYSA-N 1 1 322.409 1.419 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c1 ZINC000933677969 714646220 /nfs/dbraw/zinc/64/62/20/714646220.db2.gz SERZTNXEOSAVJB-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c1 ZINC000933677969 714646222 /nfs/dbraw/zinc/64/62/22/714646222.db2.gz SERZTNXEOSAVJB-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)c1 ZINC000933677963 714646375 /nfs/dbraw/zinc/64/63/75/714646375.db2.gz SERZTNXEOSAVJB-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)c1 ZINC000933677963 714646376 /nfs/dbraw/zinc/64/63/76/714646376.db2.gz SERZTNXEOSAVJB-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000933759775 714665813 /nfs/dbraw/zinc/66/58/13/714665813.db2.gz KTTXCDLVZNFUJY-BONVTDFDSA-N 1 1 307.325 1.821 20 5 DDBDMO Cc1nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164774701 721301751 /nfs/dbraw/zinc/30/17/51/721301751.db2.gz IFHFXSOOQBEJNY-UHFFFAOYSA-N 1 1 303.366 1.615 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C1 ZINC001167278781 732888649 /nfs/dbraw/zinc/88/86/49/732888649.db2.gz RUFYRBKJKYZZOC-ZETCQYMHSA-N 1 1 317.143 1.107 20 5 DDBDMO CO[C@@H]1CC[NH2+][C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001212240504 747104332 /nfs/dbraw/zinc/10/43/32/747104332.db2.gz ALHJPZUGDKGNLQ-RKDXNWHRSA-N 1 1 323.284 1.618 20 5 DDBDMO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996428840 749586981 /nfs/dbraw/zinc/58/69/81/749586981.db2.gz ITFPAWGQCNIMTJ-CHWSQXEVSA-N 1 1 322.365 1.037 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673085 762077882 /nfs/dbraw/zinc/07/78/82/762077882.db2.gz DTQSWYDQQIQUNZ-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCC1=CC[N@H+](CCCC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673085 762077888 /nfs/dbraw/zinc/07/78/88/762077888.db2.gz DTQSWYDQQIQUNZ-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCCC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673085 762077897 /nfs/dbraw/zinc/07/78/97/762077897.db2.gz DTQSWYDQQIQUNZ-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO CC(=O)N1CCC2(CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001035143677 751225158 /nfs/dbraw/zinc/22/51/58/751225158.db2.gz PHVZMQHYVQULKA-UHFFFAOYSA-N 1 1 321.381 1.163 20 5 DDBDMO CC(=O)N1CCC2(CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001035143677 751225161 /nfs/dbraw/zinc/22/51/61/751225161.db2.gz PHVZMQHYVQULKA-UHFFFAOYSA-N 1 1 321.381 1.163 20 5 DDBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010275 762177894 /nfs/dbraw/zinc/17/78/94/762177894.db2.gz CCIKQPDPOMNBPE-WWGRRREGSA-N 1 1 315.373 1.945 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045537 762186338 /nfs/dbraw/zinc/18/63/38/762186338.db2.gz JKJJQMCRXRNLCL-SWLSCSKDSA-N 1 1 320.393 1.996 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045537 762186341 /nfs/dbraw/zinc/18/63/41/762186341.db2.gz JKJJQMCRXRNLCL-SWLSCSKDSA-N 1 1 320.393 1.996 20 5 DDBDMO O=C(c1cccs1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039583 762193602 /nfs/dbraw/zinc/19/36/02/762193602.db2.gz RCRAUJOLVYRIKH-OLZOCXBDSA-N 1 1 323.418 1.951 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169017558 762197750 /nfs/dbraw/zinc/19/77/50/762197750.db2.gz AOKLOEYQEHEVGY-QEJZJMRPSA-N 1 1 322.409 1.801 20 5 DDBDMO Cc1noc([C@]23COC[C@H]2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169019991 762199918 /nfs/dbraw/zinc/19/99/18/762199918.db2.gz HMMQDZCPHPEFHA-GUIRCDHDSA-N 1 1 322.365 1.023 20 5 DDBDMO Cc1nccnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051991 762206944 /nfs/dbraw/zinc/20/69/44/762206944.db2.gz DYYQVNSAPAUZHP-MELADBBJSA-N 1 1 306.366 1.684 20 5 DDBDMO COc1cnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054634 762209697 /nfs/dbraw/zinc/20/96/97/762209697.db2.gz NBNGEQKJJFLVTF-FRRDWIJNSA-N 1 1 322.365 1.384 20 5 DDBDMO Cc1cncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001086082921 760942992 /nfs/dbraw/zinc/94/29/92/760942992.db2.gz HWJBRIFELFQUPV-FAAHXZRKSA-N 1 1 318.377 1.040 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC001170347577 766278002 /nfs/dbraw/zinc/27/80/02/766278002.db2.gz RZWVFLNUKQKILS-LBPRGKRZSA-N 1 1 321.377 1.699 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170347545 766278090 /nfs/dbraw/zinc/27/80/90/766278090.db2.gz RTRXKOKQNNSVKK-CMPLNLGQSA-N 1 1 307.350 1.342 20 5 DDBDMO CCC[N@H+](C)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001148638052 773560378 /nfs/dbraw/zinc/56/03/78/773560378.db2.gz AAHCLCAKHRHJTE-UHFFFAOYSA-N 1 1 308.382 1.142 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001148638052 773560382 /nfs/dbraw/zinc/56/03/82/773560382.db2.gz AAHCLCAKHRHJTE-UHFFFAOYSA-N 1 1 308.382 1.142 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCO[C@@H](CO)C1)CC2 ZINC001172902811 776915694 /nfs/dbraw/zinc/91/56/94/776915694.db2.gz CRIBLMPUUYPQDC-GOEBONIOSA-N 1 1 306.362 1.535 20 5 DDBDMO Cc1nnc2n1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228836 777062301 /nfs/dbraw/zinc/06/23/01/777062301.db2.gz ZFGPHOOZPIHMCV-LLVKDONJSA-N 1 1 301.350 1.942 20 5 DDBDMO Cc1nnc2n1CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228836 777062302 /nfs/dbraw/zinc/06/23/02/777062302.db2.gz ZFGPHOOZPIHMCV-LLVKDONJSA-N 1 1 301.350 1.942 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCC[NH3+])CC1 ZINC001173232676 777063263 /nfs/dbraw/zinc/06/32/63/777063263.db2.gz FMOKQLQOWGDMBK-CQSZACIVSA-N 1 1 306.410 1.492 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)CC1CCC1 ZINC001268519868 840362457 /nfs/dbraw/zinc/36/24/57/840362457.db2.gz GNNVKIDRVXLTDC-IHWYPQMZSA-N 1 1 321.381 1.281 20 5 DDBDMO O=C1O[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001327224320 861975741 /nfs/dbraw/zinc/97/57/41/861975741.db2.gz PSLQSKDBEBGPJD-OAHLLOKOSA-N 1 1 317.345 1.936 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001327224320 861975743 /nfs/dbraw/zinc/97/57/43/861975743.db2.gz PSLQSKDBEBGPJD-OAHLLOKOSA-N 1 1 317.345 1.936 20 5 DDBDMO COc1nc(C)nc(N[C@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)c1[N+](=O)[O-] ZINC001170965546 850741611 /nfs/dbraw/zinc/74/16/11/850741611.db2.gz UAEYCIJAOCILRP-IEBDPFPHSA-N 1 1 307.354 1.596 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001072724697 857641812 /nfs/dbraw/zinc/64/18/12/857641812.db2.gz BGYVZPGUBJBBLD-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001072724697 857641818 /nfs/dbraw/zinc/64/18/18/857641818.db2.gz BGYVZPGUBJBBLD-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001072724697 857641821 /nfs/dbraw/zinc/64/18/21/857641821.db2.gz BGYVZPGUBJBBLD-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO Cc1cc(N[C@H]2CC[N@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156581764 863165718 /nfs/dbraw/zinc/16/57/18/863165718.db2.gz ZXYXTEVJDFBMOA-ZDUSSCGKSA-N 1 1 313.361 1.898 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001157259093 863688077 /nfs/dbraw/zinc/68/80/77/863688077.db2.gz CQCIZUODGUGMID-GXFFZTMASA-N 1 1 320.349 1.307 20 5 DDBDMO Cc1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001157761402 864110627 /nfs/dbraw/zinc/11/06/27/864110627.db2.gz RAEUDMWPONKZMA-GHMZBOCLSA-N 1 1 312.395 1.021 20 5 DDBDMO CNc1c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320379467 866692068 /nfs/dbraw/zinc/69/20/68/866692068.db2.gz UXLPKYCCRPIZKE-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001320547818 866816458 /nfs/dbraw/zinc/81/64/58/866816458.db2.gz LHTGXXIPCBPPHO-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001320547818 866816484 /nfs/dbraw/zinc/81/64/84/866816484.db2.gz LHTGXXIPCBPPHO-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1nn(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001334748325 867809832 /nfs/dbraw/zinc/80/98/32/867809832.db2.gz OSEVXSJYWMIWHO-BFHYXJOUSA-N 1 1 307.398 1.719 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001335532541 868366224 /nfs/dbraw/zinc/36/62/24/868366224.db2.gz BRCXQDQUYFENLH-NSHDSACASA-N 1 1 309.370 1.018 20 5 DDBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ncc([N+](=O)[O-])s1)C2 ZINC001163636082 868579164 /nfs/dbraw/zinc/57/91/64/868579164.db2.gz VLXXAUUBZHLADC-SECBINFHSA-N 1 1 323.378 1.518 20 5 DDBDMO Cc1nonc1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001164066027 868923086 /nfs/dbraw/zinc/92/30/86/868923086.db2.gz VKEZQQLGVQAWSK-UHFFFAOYSA-N 1 1 303.322 1.886 20 5 DDBDMO Cc1nonc1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001164066027 868923088 /nfs/dbraw/zinc/92/30/88/868923088.db2.gz VKEZQQLGVQAWSK-UHFFFAOYSA-N 1 1 303.322 1.886 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001165260876 869474485 /nfs/dbraw/zinc/47/44/85/869474485.db2.gz KMLSVRJIOOCEGR-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO COC(=O)C1([NH3+])CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001166794689 870256706 /nfs/dbraw/zinc/25/67/06/870256706.db2.gz IDAIPKBELRROOL-UHFFFAOYSA-N 1 1 314.729 1.114 20 5 DDBDMO CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224670 871443278 /nfs/dbraw/zinc/44/32/78/871443278.db2.gz WEXJYHMMVRYBPO-LPUOJRKPSA-N 1 1 309.410 1.836 20 5 DDBDMO CCOC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001346046555 873600878 /nfs/dbraw/zinc/60/08/78/873600878.db2.gz XUQIHCLFQVYZQF-UHFFFAOYSA-N 1 1 304.306 1.784 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC001353285481 877228781 /nfs/dbraw/zinc/22/87/81/877228781.db2.gz NQVUXIRYFZSNKY-CYZMBNFOSA-N 1 1 319.361 1.673 20 5 DDBDMO CCCSc1nc(O[C@@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001217998448 877366012 /nfs/dbraw/zinc/36/60/12/877366012.db2.gz QBXFQMXUYGCWOW-NKWVEPMBSA-N 1 1 318.330 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCOC[C@@H](O)C3)CC2)cc1 ZINC001254473572 896456758 /nfs/dbraw/zinc/45/67/58/896456758.db2.gz GAKAXENKYYNZGN-INIZCTEOSA-N 1 1 321.377 1.257 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001262826142 900387554 /nfs/dbraw/zinc/38/75/54/900387554.db2.gz CTNNKWSMTICKHI-KWCYVHTRSA-N 1 1 303.362 1.973 20 5 DDBDMO Cc1c(CC(=O)N[C@@H]2C[N@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001303989923 903187625 /nfs/dbraw/zinc/18/76/25/903187625.db2.gz UMNAGWXHERRSBP-CQSZACIVSA-N 1 1 305.378 1.902 20 5 DDBDMO Cc1ncccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813586 904076224 /nfs/dbraw/zinc/07/62/24/904076224.db2.gz DVPBLTGQEGDVJV-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO Cc1ncccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280813586 904076232 /nfs/dbraw/zinc/07/62/32/904076232.db2.gz DVPBLTGQEGDVJV-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO Cc1ncccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280813586 904076242 /nfs/dbraw/zinc/07/62/42/904076242.db2.gz DVPBLTGQEGDVJV-HUUCEWRRSA-N 1 1 320.393 1.336 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000425048873 529822537 /nfs/dbraw/zinc/82/25/37/529822537.db2.gz CYCSHRHOYUKHGO-TVQRCGJNSA-N 1 1 322.340 1.482 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000301981076 529932939 /nfs/dbraw/zinc/93/29/39/529932939.db2.gz IOXWGGWJCMXXIW-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO C[N@H+](CCc1cnccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684589 529938430 /nfs/dbraw/zinc/93/84/30/529938430.db2.gz NDXIVPYOCAKXBS-UHFFFAOYSA-N 1 1 312.333 1.936 20 5 DDBDMO C[N@@H+](CCc1cnccn1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684589 529938432 /nfs/dbraw/zinc/93/84/32/529938432.db2.gz NDXIVPYOCAKXBS-UHFFFAOYSA-N 1 1 312.333 1.936 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000458178850 530060425 /nfs/dbraw/zinc/06/04/25/530060425.db2.gz XEUUUKAKUIFLAQ-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO C[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851882 232112695 /nfs/dbraw/zinc/11/26/95/232112695.db2.gz QGAUUEZTJRLKKA-CHWSQXEVSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851882 232112699 /nfs/dbraw/zinc/11/26/99/232112699.db2.gz QGAUUEZTJRLKKA-CHWSQXEVSA-N 1 1 324.377 1.834 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000616369949 362664753 /nfs/dbraw/zinc/66/47/53/362664753.db2.gz DZZABXWMAGTHBS-GFCCVEGCSA-N 1 1 320.349 1.673 20 5 DDBDMO C[C@H]1NC(=O)N(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000459427955 233187425 /nfs/dbraw/zinc/18/74/25/233187425.db2.gz AMEBRLFUXHFBCT-LLVKDONJSA-N 1 1 320.349 1.009 20 5 DDBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000150713045 186059156 /nfs/dbraw/zinc/05/91/56/186059156.db2.gz JEZKURJDINMBPA-ZDUSSCGKSA-N 1 1 321.377 1.222 20 5 DDBDMO CC(C)(C(N)=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266862479 186363299 /nfs/dbraw/zinc/36/32/99/186363299.db2.gz KSGBNBIQNDEYHK-UHFFFAOYSA-N 1 1 320.393 1.019 20 5 DDBDMO C[N@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000015261222 352154321 /nfs/dbraw/zinc/15/43/21/352154321.db2.gz FTGBTDKLZRSTJZ-UHFFFAOYSA-N 1 1 307.350 1.599 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000491290268 234125977 /nfs/dbraw/zinc/12/59/77/234125977.db2.gz BORHBTLREBYFSH-DAXSKMNVSA-N 1 1 301.346 1.915 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000068575522 353121433 /nfs/dbraw/zinc/12/14/33/353121433.db2.gz LBKDMAXGXIILGW-GFCCVEGCSA-N 1 1 323.397 1.338 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000072610941 353204330 /nfs/dbraw/zinc/20/43/30/353204330.db2.gz OSVRGCPACXAOKS-GFCCVEGCSA-N 1 1 309.366 1.933 20 5 DDBDMO Cn1cc(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072665166 353207861 /nfs/dbraw/zinc/20/78/61/353207861.db2.gz FBXFJFOMKCVVEJ-ZDUSSCGKSA-N 1 1 316.365 1.452 20 5 DDBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000074288260 353304435 /nfs/dbraw/zinc/30/44/35/353304435.db2.gz MPGLIMQJZCPZOA-LLVKDONJSA-N 1 1 313.379 1.095 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000355776139 291003976 /nfs/dbraw/zinc/00/39/76/291003976.db2.gz BBSUGMQCQXLIPY-GJZGRUSLSA-N 1 1 324.381 1.045 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170727 353706218 /nfs/dbraw/zinc/70/62/18/353706218.db2.gz FNRXNPQHMWKNTR-NXEZZACHSA-N 1 1 318.333 1.822 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092612371 353863410 /nfs/dbraw/zinc/86/34/10/353863410.db2.gz CGFSSRDJVYMUJC-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369236 354224211 /nfs/dbraw/zinc/22/42/11/354224211.db2.gz LVHPFGXRKVIJEU-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369236 354224214 /nfs/dbraw/zinc/22/42/14/354224214.db2.gz LVHPFGXRKVIJEU-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO CC(=O)c1cc(N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000587979222 354888853 /nfs/dbraw/zinc/88/88/53/354888853.db2.gz CRQKZXFOEHTEPK-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CC[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C ZINC000588006067 354892725 /nfs/dbraw/zinc/89/27/25/354892725.db2.gz PRHHALNBVDCFBU-SNVBAGLBSA-N 1 1 317.349 1.774 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000346297772 283062463 /nfs/dbraw/zinc/06/24/63/283062463.db2.gz PJGCKEOKZKFGMJ-OAHLLOKOSA-N 1 1 307.325 1.902 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590011322 355040846 /nfs/dbraw/zinc/04/08/46/355040846.db2.gz HYVXHWXAYNKYOL-DOMZBBRYSA-N 1 1 318.377 1.478 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000590522887 355107959 /nfs/dbraw/zinc/10/79/59/355107959.db2.gz DIOAERDSMRAYFP-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000590522887 355107960 /nfs/dbraw/zinc/10/79/60/355107960.db2.gz DIOAERDSMRAYFP-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cn1c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000495123616 235128452 /nfs/dbraw/zinc/12/84/52/235128452.db2.gz VELDELJYKJMJJZ-NWDGAFQWSA-N 1 1 306.366 1.490 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402427 355085750 /nfs/dbraw/zinc/08/57/50/355085750.db2.gz UCFTWWSWWZLAFS-GJZGRUSLSA-N 1 1 319.361 1.530 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776513 355176354 /nfs/dbraw/zinc/17/63/54/355176354.db2.gz GCLFWAPAFFINBM-RISCZKNCSA-N 1 1 305.334 1.136 20 5 DDBDMO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@@H+](C)C1 ZINC000592831715 355706808 /nfs/dbraw/zinc/70/68/08/355706808.db2.gz NVTPHJANTDJFSQ-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CC(C)O[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055557 355781394 /nfs/dbraw/zinc/78/13/94/355781394.db2.gz LQBZPPXGOBDPGM-KBPBESRZSA-N 1 1 312.370 1.042 20 5 DDBDMO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000593056962 355782787 /nfs/dbraw/zinc/78/27/87/355782787.db2.gz BYHRPGHXFXGLCU-CQSZACIVSA-N 1 1 321.352 1.972 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593757039 355988137 /nfs/dbraw/zinc/98/81/37/355988137.db2.gz PBJQGVZGNMCWPT-UHFFFAOYSA-N 1 1 311.386 1.588 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195395 356136060 /nfs/dbraw/zinc/13/60/60/356136060.db2.gz GKRZYTBDVXILAL-TZMCWYRMSA-N 1 1 304.350 1.737 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000594617040 356267039 /nfs/dbraw/zinc/26/70/39/356267039.db2.gz ZLVXERSBHYTLKY-SNVBAGLBSA-N 1 1 308.334 1.711 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000594617040 356267041 /nfs/dbraw/zinc/26/70/41/356267041.db2.gz ZLVXERSBHYTLKY-SNVBAGLBSA-N 1 1 308.334 1.711 20 5 DDBDMO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601338522 358505668 /nfs/dbraw/zinc/50/56/68/358505668.db2.gz XWMTZKYDPKKUIO-YUMQZZPRSA-N 1 1 319.408 1.336 20 5 DDBDMO Cc1noc(C[NH+]2CCC(Cn3cncn3)CC2)c1[N+](=O)[O-] ZINC000595444965 356495268 /nfs/dbraw/zinc/49/52/68/356495268.db2.gz IAVQGAXSBHGBEA-UHFFFAOYSA-N 1 1 306.326 1.395 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595446564 356496557 /nfs/dbraw/zinc/49/65/57/356496557.db2.gz MDDYBXVNNXUSEW-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO Cc1noc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595452136 356498277 /nfs/dbraw/zinc/49/82/77/356498277.db2.gz YHRJQUCHUKEAEL-JTQLQIEISA-N 1 1 312.370 1.168 20 5 DDBDMO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccco1 ZINC000184630068 199743434 /nfs/dbraw/zinc/74/34/34/199743434.db2.gz MEPLNKFEUXBJCN-LBPRGKRZSA-N 1 1 307.306 1.327 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(COC2)C1 ZINC000595836002 356671638 /nfs/dbraw/zinc/67/16/38/356671638.db2.gz YBQGMZUSHNLBBS-UHFFFAOYSA-N 1 1 319.361 1.954 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825004 356665815 /nfs/dbraw/zinc/66/58/15/356665815.db2.gz BVEYSDXKDQTYKE-HNNXBMFYSA-N 1 1 320.393 1.825 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595826498 356665869 /nfs/dbraw/zinc/66/58/69/356665869.db2.gz ABFDGELDKBEDBR-CHWSQXEVSA-N 1 1 322.361 1.951 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4COC[C@H]4C3)nc2c1 ZINC000595827689 356667121 /nfs/dbraw/zinc/66/71/21/356667121.db2.gz DADYNDDEXCZDIT-GHMZBOCLSA-N 1 1 302.334 1.939 20 5 DDBDMO Cc1cc(N2CC(C[NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000596239252 356828991 /nfs/dbraw/zinc/82/89/91/356828991.db2.gz DQDPIWAIKSLADK-UHFFFAOYSA-N 1 1 309.341 1.811 20 5 DDBDMO CCOc1cc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276836528 213124117 /nfs/dbraw/zinc/12/41/17/213124117.db2.gz BQMYTUPANALLHT-GASCZTMLSA-N 1 1 310.350 1.839 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276836528 213124118 /nfs/dbraw/zinc/12/41/18/213124118.db2.gz BQMYTUPANALLHT-GASCZTMLSA-N 1 1 310.350 1.839 20 5 DDBDMO CCOc1cc(C[N@@H+](C)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000276830554 213120488 /nfs/dbraw/zinc/12/04/88/213120488.db2.gz BBHWYPTYKRUGRC-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104014 357816534 /nfs/dbraw/zinc/81/65/34/357816534.db2.gz KWXRKXMUODMBIB-BDAKNGLRSA-N 1 1 317.342 1.153 20 5 DDBDMO Cn1cc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000599338786 357899824 /nfs/dbraw/zinc/89/98/24/357899824.db2.gz HBBRDYHMGLFCRN-UHFFFAOYSA-N 1 1 301.350 1.930 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624804 357997450 /nfs/dbraw/zinc/99/74/50/357997450.db2.gz WSELLIRYEIUORU-WQVCFCJDSA-N 1 1 308.378 1.969 20 5 DDBDMO Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599768903 358053670 /nfs/dbraw/zinc/05/36/70/358053670.db2.gz RCANJDFDSYHLSC-GFCCVEGCSA-N 1 1 308.338 1.091 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600312318 358191814 /nfs/dbraw/zinc/19/18/14/358191814.db2.gz DZZYAYVHDKHJBU-LLVKDONJSA-N 1 1 323.397 1.903 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469398 358232103 /nfs/dbraw/zinc/23/21/03/358232103.db2.gz AOGPSJJDHMVSDC-GFCCVEGCSA-N 1 1 321.381 1.383 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccncc1 ZINC000348130396 283383730 /nfs/dbraw/zinc/38/37/30/283383730.db2.gz VTIUUDRNUZFUKD-UHFFFAOYSA-N 1 1 302.334 1.674 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602131707 358835170 /nfs/dbraw/zinc/83/51/70/358835170.db2.gz GMJOGJJBHNBYIF-LLVKDONJSA-N 1 1 304.350 1.216 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccn[nH]3)CC2)cn1 ZINC000602510348 359020444 /nfs/dbraw/zinc/02/04/44/359020444.db2.gz GYTODZIFHGUBPI-UHFFFAOYSA-N 1 1 302.338 1.472 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669472 359115315 /nfs/dbraw/zinc/11/53/15/359115315.db2.gz XOAODBILAHYYAQ-OLZOCXBDSA-N 1 1 308.382 1.967 20 5 DDBDMO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccco1 ZINC000602763640 359174145 /nfs/dbraw/zinc/17/41/45/359174145.db2.gz REUDJNDKMQGYFV-UHFFFAOYSA-N 1 1 308.338 1.841 20 5 DDBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccco1 ZINC000602763640 359174149 /nfs/dbraw/zinc/17/41/49/359174149.db2.gz REUDJNDKMQGYFV-UHFFFAOYSA-N 1 1 308.338 1.841 20 5 DDBDMO COC(=O)C1C[C@@H](C)[NH+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602917528 359294286 /nfs/dbraw/zinc/29/42/86/359294286.db2.gz LZNZIAUFJCVYAF-NXEZZACHSA-N 1 1 310.354 1.490 20 5 DDBDMO CCn1nc(C)c(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000602925968 359296980 /nfs/dbraw/zinc/29/69/80/359296980.db2.gz MHRDIJVKMOJFME-UHFFFAOYSA-N 1 1 306.370 1.757 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937110 359306504 /nfs/dbraw/zinc/30/65/04/359306504.db2.gz QIGDTKNJHJIJRX-GTTSAUCSSA-N 1 1 317.345 1.640 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000602964701 359327899 /nfs/dbraw/zinc/32/78/99/359327899.db2.gz SFVDFVLKXSZJPP-ZFWWWQNUSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000602964701 359327902 /nfs/dbraw/zinc/32/79/02/359327902.db2.gz SFVDFVLKXSZJPP-ZFWWWQNUSA-N 1 1 310.350 1.575 20 5 DDBDMO CCN(CC)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965909 359329121 /nfs/dbraw/zinc/32/91/21/359329121.db2.gz QURBLKYQBGXJIO-OAHLLOKOSA-N 1 1 309.366 1.260 20 5 DDBDMO O=[N+]([O-])c1cc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cs1 ZINC000603206262 359481090 /nfs/dbraw/zinc/48/10/90/359481090.db2.gz ONBWHSOTVNMRBB-LBPRGKRZSA-N 1 1 323.378 1.253 20 5 DDBDMO O=[N+]([O-])c1cc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cs1 ZINC000603206262 359481092 /nfs/dbraw/zinc/48/10/92/359481092.db2.gz ONBWHSOTVNMRBB-LBPRGKRZSA-N 1 1 323.378 1.253 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187273270 200086823 /nfs/dbraw/zinc/08/68/23/200086823.db2.gz QOMOFGOVFPBIEH-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609450185 360307878 /nfs/dbraw/zinc/30/78/78/360307878.db2.gz HFCHPKKWYYBAGU-LLVKDONJSA-N 1 1 318.377 1.945 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609450185 360307882 /nfs/dbraw/zinc/30/78/82/360307882.db2.gz HFCHPKKWYYBAGU-LLVKDONJSA-N 1 1 318.377 1.945 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571063 360326394 /nfs/dbraw/zinc/32/63/94/360326394.db2.gz MPRYIBUDMAUPJL-GFCCVEGCSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH+]1CCC(N2CC[C@@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571063 360326397 /nfs/dbraw/zinc/32/63/97/360326397.db2.gz MPRYIBUDMAUPJL-GFCCVEGCSA-N 1 1 305.382 1.570 20 5 DDBDMO CC[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092337 360621765 /nfs/dbraw/zinc/62/17/65/360621765.db2.gz QKKQKMQZEULANC-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092337 360621773 /nfs/dbraw/zinc/62/17/73/360621773.db2.gz QKKQKMQZEULANC-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092337 360621779 /nfs/dbraw/zinc/62/17/79/360621779.db2.gz QKKQKMQZEULANC-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271426 360685317 /nfs/dbraw/zinc/68/53/17/360685317.db2.gz GJZJSTUQHPOAAH-NSHDSACASA-N 1 1 308.334 1.834 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@]3(CCOC3)C1)OCCO2 ZINC000611275640 360686859 /nfs/dbraw/zinc/68/68/59/360686859.db2.gz PMGWRLMSVRSWEQ-INIZCTEOSA-N 1 1 320.345 1.978 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193690641 201105617 /nfs/dbraw/zinc/10/56/17/201105617.db2.gz QWMQDBUVFDWWRX-LLVKDONJSA-N 1 1 322.365 1.403 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000193674299 201101649 /nfs/dbraw/zinc/10/16/49/201101649.db2.gz FUGAFMXZTPEWME-UHFFFAOYSA-N 1 1 306.322 1.783 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275353040 212286586 /nfs/dbraw/zinc/28/65/86/212286586.db2.gz KDNZTUBVVMWABI-ZJUUUORDSA-N 1 1 315.320 1.764 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275353040 212286584 /nfs/dbraw/zinc/28/65/84/212286584.db2.gz KDNZTUBVVMWABI-ZJUUUORDSA-N 1 1 315.320 1.764 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275022293 212078674 /nfs/dbraw/zinc/07/86/74/212078674.db2.gz UKWLBCIZJSUHOK-UHFFFAOYSA-N 1 1 316.317 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275022293 212078677 /nfs/dbraw/zinc/07/86/77/212078677.db2.gz UKWLBCIZJSUHOK-UHFFFAOYSA-N 1 1 316.317 1.245 20 5 DDBDMO COc1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc(OC)c1 ZINC000350732030 284251096 /nfs/dbraw/zinc/25/10/96/284251096.db2.gz IVCYIICJCGZMBZ-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000264897421 204248237 /nfs/dbraw/zinc/24/82/37/204248237.db2.gz KXWNIFBZDGRIHN-UHFFFAOYSA-N 1 1 306.366 1.851 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288496017 220179664 /nfs/dbraw/zinc/17/96/64/220179664.db2.gz QAFYQCBWQHZQEH-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2csc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284653449 218116145 /nfs/dbraw/zinc/11/61/45/218116145.db2.gz NIYZOBCOGCEVGU-QWRGUYRKSA-N 1 1 313.379 1.447 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104887604 194050054 /nfs/dbraw/zinc/05/00/54/194050054.db2.gz HLVKLSXJWZAAEQ-NSHDSACASA-N 1 1 308.382 1.946 20 5 DDBDMO Cc1c(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000284778124 218173314 /nfs/dbraw/zinc/17/33/14/218173314.db2.gz QDGMGYXTSXPFBD-NSHDSACASA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285090719 218287279 /nfs/dbraw/zinc/28/72/79/218287279.db2.gz DMCBIJLQIVNOMV-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)[C@@H]2CCCO2)c(F)c1 ZINC000352403963 285027775 /nfs/dbraw/zinc/02/77/75/285027775.db2.gz ZVWOFLRGOOESDQ-OLZOCXBDSA-N 1 1 302.277 1.503 20 5 DDBDMO CC(C)C[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272982295 210362300 /nfs/dbraw/zinc/36/23/00/210362300.db2.gz DGZNDPNZSGYPCV-UHFFFAOYSA-N 1 1 300.380 1.956 20 5 DDBDMO CC(C)C[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272982295 210362303 /nfs/dbraw/zinc/36/23/03/210362303.db2.gz DGZNDPNZSGYPCV-UHFFFAOYSA-N 1 1 300.380 1.956 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000298188782 285165879 /nfs/dbraw/zinc/16/58/79/285165879.db2.gz WQVNKAZHHZMTGT-UHFFFAOYSA-N 1 1 302.338 1.078 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451341751 285189432 /nfs/dbraw/zinc/18/94/32/285189432.db2.gz LQYRKOANRNAYGL-RBSFLKMASA-N 1 1 308.382 1.807 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000352772214 285290192 /nfs/dbraw/zinc/29/01/92/285290192.db2.gz QEVFHXTYHQHGJV-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO C[C@@H](CO)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289486959 221011871 /nfs/dbraw/zinc/01/18/71/221011871.db2.gz RESVVNXATQVARE-NSHDSACASA-N 1 1 304.350 1.808 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282318096 296517176 /nfs/dbraw/zinc/51/71/76/296517176.db2.gz TUUXIGVOZKDVGI-CYBMUJFWSA-N 1 1 306.366 1.538 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000013694375 406865932 /nfs/dbraw/zinc/86/59/32/406865932.db2.gz PNAALWOGUBCTBX-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO CC(C)OC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665349 406884279 /nfs/dbraw/zinc/88/42/79/406884279.db2.gz ONFNCDJTVUTWMG-LBPRGKRZSA-N 1 1 322.365 1.818 20 5 DDBDMO CN(C(=O)C[N@H+](C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000076299276 406962292 /nfs/dbraw/zinc/96/22/92/406962292.db2.gz RICJNQHBPFZCQZ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000076299276 406962295 /nfs/dbraw/zinc/96/22/95/406962295.db2.gz RICJNQHBPFZCQZ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051556034 407141454 /nfs/dbraw/zinc/14/14/54/407141454.db2.gz AAESGRFUUFXDJT-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123323789 407325638 /nfs/dbraw/zinc/32/56/38/407325638.db2.gz QWGILHCXAKEIEZ-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO COCCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378313 407272058 /nfs/dbraw/zinc/27/20/58/407272058.db2.gz SQEBOBXQAWEDOZ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO O=C(C[N@@H+](CCO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067965716 407291751 /nfs/dbraw/zinc/29/17/51/407291751.db2.gz STKCBWWPUNRETE-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO O=C(C[N@H+](CCO)C1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067965716 407291752 /nfs/dbraw/zinc/29/17/52/407291752.db2.gz STKCBWWPUNRETE-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000103716578 407343155 /nfs/dbraw/zinc/34/31/55/407343155.db2.gz GGCIINZREOPYSJ-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000124134955 407349733 /nfs/dbraw/zinc/34/97/33/407349733.db2.gz VBHZHDNBKSZFOV-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000124134955 407349735 /nfs/dbraw/zinc/34/97/35/407349735.db2.gz VBHZHDNBKSZFOV-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469399 407414011 /nfs/dbraw/zinc/41/40/11/407414011.db2.gz LLGLWCJQYKMWLV-YBTHPKLGSA-N 1 1 300.380 1.672 20 5 DDBDMO CC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261626989 407557667 /nfs/dbraw/zinc/55/76/67/407557667.db2.gz HGHUXKJXVFSIJK-UHFFFAOYSA-N 1 1 317.342 1.154 20 5 DDBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185881738 407528712 /nfs/dbraw/zinc/52/87/12/407528712.db2.gz AOZMVZGJULSKNE-AWEZNQCLSA-N 1 1 306.410 1.710 20 5 DDBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000266873076 407657483 /nfs/dbraw/zinc/65/74/83/407657483.db2.gz ANLYUSRQTIDWTK-CQSZACIVSA-N 1 1 321.377 1.608 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000130948235 407714751 /nfs/dbraw/zinc/71/47/51/407714751.db2.gz QYDVNICIAQGITE-QWRGUYRKSA-N 1 1 313.379 1.107 20 5 DDBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000186727994 407759136 /nfs/dbraw/zinc/75/91/36/407759136.db2.gz NJWRTOXASMQMKI-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891063 407792923 /nfs/dbraw/zinc/79/29/23/407792923.db2.gz VXMYHPBLYAPWAB-PWSUYJOCSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891063 407792931 /nfs/dbraw/zinc/79/29/31/407792931.db2.gz VXMYHPBLYAPWAB-PWSUYJOCSA-N 1 1 313.379 1.279 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)F ZINC000153588820 407858390 /nfs/dbraw/zinc/85/83/90/407858390.db2.gz ICTNTRPPDPOREL-NSHDSACASA-N 1 1 317.340 1.453 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)F ZINC000153588820 407858398 /nfs/dbraw/zinc/85/83/98/407858398.db2.gz ICTNTRPPDPOREL-NSHDSACASA-N 1 1 317.340 1.453 20 5 DDBDMO Cc1cc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153623185 407865164 /nfs/dbraw/zinc/86/51/64/407865164.db2.gz KZRKFLOZAOBYCW-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153623185 407865170 /nfs/dbraw/zinc/86/51/70/407865170.db2.gz KZRKFLOZAOBYCW-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248150 407967353 /nfs/dbraw/zinc/96/73/53/407967353.db2.gz WKVDDGCYFPWOSJ-XHDPSFHLSA-N 1 1 303.362 1.736 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153962843 407942298 /nfs/dbraw/zinc/94/22/98/407942298.db2.gz TZMOLVKYLBOCPY-OAHLLOKOSA-N 1 1 305.378 1.936 20 5 DDBDMO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245639002 408032612 /nfs/dbraw/zinc/03/26/12/408032612.db2.gz ARJHYFJUWAIJNK-MXWKQRLJSA-N 1 1 309.370 1.414 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000189523763 408041010 /nfs/dbraw/zinc/04/10/10/408041010.db2.gz VPMYDOKITGTKFJ-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154790389 408085013 /nfs/dbraw/zinc/08/50/13/408085013.db2.gz FHNPWBRMICQDSH-NSHDSACASA-N 1 1 322.365 1.380 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000151126250 408262696 /nfs/dbraw/zinc/26/26/96/408262696.db2.gz LFIJQUXASUMZDR-CYBMUJFWSA-N 1 1 320.393 1.827 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225434 408316133 /nfs/dbraw/zinc/31/61/33/408316133.db2.gz XWQBMPHZOWHVEN-ZDUSSCGKSA-N 1 1 323.397 1.276 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459838 408316675 /nfs/dbraw/zinc/31/66/75/408316675.db2.gz HMGNVBZGGJFJQY-NXEZZACHSA-N 1 1 321.381 1.796 20 5 DDBDMO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000182898416 408278615 /nfs/dbraw/zinc/27/86/15/408278615.db2.gz QKBXPONARBPNJK-CQSZACIVSA-N 1 1 315.329 1.857 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000246545897 408289702 /nfs/dbraw/zinc/28/97/02/408289702.db2.gz QMPVBLWYBQFYSK-JQWIXIFHSA-N 1 1 304.350 1.486 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000269406773 408297163 /nfs/dbraw/zinc/29/71/63/408297163.db2.gz UQYMYKWVCLDNDH-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269412474 408299018 /nfs/dbraw/zinc/29/90/18/408299018.db2.gz VSBDKUSWYQDCLU-LLVKDONJSA-N 1 1 323.397 1.903 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621935 408363912 /nfs/dbraw/zinc/36/39/12/408363912.db2.gz BJCXZGMPKCVCEE-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621935 408363917 /nfs/dbraw/zinc/36/39/17/408363917.db2.gz BJCXZGMPKCVCEE-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000176943927 408482502 /nfs/dbraw/zinc/48/25/02/408482502.db2.gz OYOLABUSISJQGD-NSHDSACASA-N 1 1 323.397 1.588 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264404878 408477054 /nfs/dbraw/zinc/47/70/54/408477054.db2.gz FJQKKONJSBSPPN-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459347 408572286 /nfs/dbraw/zinc/57/22/86/408572286.db2.gz NNXLKUZEMWOHGU-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000248462286 408574746 /nfs/dbraw/zinc/57/47/46/408574746.db2.gz PTSJNEOHNTWFTD-ZIAGYGMSSA-N 1 1 324.377 1.693 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000265228344 408583663 /nfs/dbraw/zinc/58/36/63/408583663.db2.gz QDTSMRWHICWHRK-UHFFFAOYSA-N 1 1 307.394 1.873 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192476902 408595806 /nfs/dbraw/zinc/59/58/06/408595806.db2.gz ZOJUXMBVQQVKHQ-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000270470375 408541325 /nfs/dbraw/zinc/54/13/25/408541325.db2.gz HKMLFYIKCRYTOE-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000248837352 408644649 /nfs/dbraw/zinc/64/46/49/408644649.db2.gz OQQUABFCAZSULY-RYUDHWBXSA-N 1 1 319.361 1.912 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000162670374 408726369 /nfs/dbraw/zinc/72/63/69/408726369.db2.gz WGGAEJYSPPVETO-PWSUYJOCSA-N 1 1 319.365 1.407 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249558773 408742879 /nfs/dbraw/zinc/74/28/79/408742879.db2.gz KVSLQAPEGLWDSI-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249558773 408742882 /nfs/dbraw/zinc/74/28/82/408742882.db2.gz KVSLQAPEGLWDSI-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000270839075 408701656 /nfs/dbraw/zinc/70/16/56/408701656.db2.gz DUBCZFTUOQZMBS-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000249599045 408749319 /nfs/dbraw/zinc/74/93/19/408749319.db2.gz XQKFUJGWWZLFAB-KYOSRNDESA-N 1 1 310.350 1.037 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177983933 408750564 /nfs/dbraw/zinc/75/05/64/408750564.db2.gz RPJIKRUQQIEKCB-MEBBXXQBSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC000177983933 408750572 /nfs/dbraw/zinc/75/05/72/408750572.db2.gz RPJIKRUQQIEKCB-MEBBXXQBSA-N 1 1 323.349 1.387 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291749667 408916972 /nfs/dbraw/zinc/91/69/72/408916972.db2.gz KLEZNGPASRVKMM-AAEUAGOBSA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291749667 408916974 /nfs/dbraw/zinc/91/69/74/408916974.db2.gz KLEZNGPASRVKMM-AAEUAGOBSA-N 1 1 316.304 1.578 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292058286 408971666 /nfs/dbraw/zinc/97/16/66/408971666.db2.gz APDXXZVHVVEUPZ-OAHLLOKOSA-N 1 1 307.325 1.902 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286428200 408982938 /nfs/dbraw/zinc/98/29/38/408982938.db2.gz IRGUNVOBFGSNHB-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(N)=O ZINC000286434915 408984380 /nfs/dbraw/zinc/98/43/80/408984380.db2.gz LHWXRVXXKUXLGX-UHFFFAOYSA-N 1 1 308.338 1.039 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000277693891 408992923 /nfs/dbraw/zinc/99/29/23/408992923.db2.gz ZWTCOLWLEMLUKP-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000293331378 409091305 /nfs/dbraw/zinc/09/13/05/409091305.db2.gz GNSGIIAPTLFDFG-GUTXKFCHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293331378 409091308 /nfs/dbraw/zinc/09/13/08/409091308.db2.gz GNSGIIAPTLFDFG-GUTXKFCHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293331378 409091311 /nfs/dbraw/zinc/09/13/11/409091311.db2.gz GNSGIIAPTLFDFG-GUTXKFCHSA-N 1 1 323.393 1.359 20 5 DDBDMO COCCOCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000289035351 409210814 /nfs/dbraw/zinc/21/08/14/409210814.db2.gz PFCBZVXAVAJBGW-UHFFFAOYSA-N 1 1 316.329 1.837 20 5 DDBDMO COCCOCC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000289035351 409210817 /nfs/dbraw/zinc/21/08/17/409210817.db2.gz PFCBZVXAVAJBGW-UHFFFAOYSA-N 1 1 316.329 1.837 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000290185282 409315451 /nfs/dbraw/zinc/31/54/51/409315451.db2.gz RHLRGAHFVFGAOM-UHFFFAOYSA-N 1 1 322.409 1.137 20 5 DDBDMO CN(CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290185282 409315452 /nfs/dbraw/zinc/31/54/52/409315452.db2.gz RHLRGAHFVFGAOM-UHFFFAOYSA-N 1 1 322.409 1.137 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000295221627 409382716 /nfs/dbraw/zinc/38/27/16/409382716.db2.gz MTWNCPNVCUMRFO-ZDUSSCGKSA-N 1 1 313.333 1.044 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000295221627 409382720 /nfs/dbraw/zinc/38/27/20/409382720.db2.gz MTWNCPNVCUMRFO-ZDUSSCGKSA-N 1 1 313.333 1.044 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290624886 409466656 /nfs/dbraw/zinc/46/66/56/409466656.db2.gz LVNWSEMRXUOHKJ-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(O)CCC1 ZINC000353484957 164123487 /nfs/dbraw/zinc/12/34/87/164123487.db2.gz LJBQFBFIFMFONE-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(O)CCC1 ZINC000353484957 164123489 /nfs/dbraw/zinc/12/34/89/164123489.db2.gz LJBQFBFIFMFONE-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO CN1CC[NH+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296240637 409475151 /nfs/dbraw/zinc/47/51/51/409475151.db2.gz FFRINMICMXKBCD-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000342346037 409582085 /nfs/dbraw/zinc/58/20/85/409582085.db2.gz HQINPSLYZLQCFW-NSHDSACASA-N 1 1 322.365 1.074 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000348928387 409595507 /nfs/dbraw/zinc/59/55/07/409595507.db2.gz PZTJFUSTZUQMMZ-UHFFFAOYSA-N 1 1 324.381 1.567 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000354006986 409595750 /nfs/dbraw/zinc/59/57/50/409595750.db2.gz OFVGNGXVFMHWQK-LLVKDONJSA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533974 409611221 /nfs/dbraw/zinc/61/12/21/409611221.db2.gz POWVGFFLXBATOO-NOZJJQNGSA-N 1 1 307.325 1.946 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000356853678 409664617 /nfs/dbraw/zinc/66/46/17/409664617.db2.gz OCQLLPAPJFTRSG-RYUDHWBXSA-N 1 1 307.350 1.525 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000324105240 409921900 /nfs/dbraw/zinc/92/19/00/409921900.db2.gz JUGGCXKZCCFSMY-CQSZACIVSA-N 1 1 319.365 1.554 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357425033 410033544 /nfs/dbraw/zinc/03/35/44/410033544.db2.gz RNABGSZGIMXGOO-CHWSQXEVSA-N 1 1 321.377 1.963 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357682298 410185388 /nfs/dbraw/zinc/18/53/88/410185388.db2.gz KERITXAMEGWMQK-ONGXEEELSA-N 1 1 308.338 1.671 20 5 DDBDMO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000351753341 410210071 /nfs/dbraw/zinc/21/00/71/410210071.db2.gz FDSJLQOFXHIFOL-DTWKUNHWSA-N 1 1 303.322 1.280 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000298912125 410447129 /nfs/dbraw/zinc/44/71/29/410447129.db2.gz DECASMGLPXAVHK-UHFFFAOYSA-N 1 1 322.365 1.451 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000347387460 410515141 /nfs/dbraw/zinc/51/51/41/410515141.db2.gz ZWBCDWJGGLZYMM-IPJDOKCGSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000347387460 410515152 /nfs/dbraw/zinc/51/51/52/410515152.db2.gz ZWBCDWJGGLZYMM-IPJDOKCGSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000347387460 410515157 /nfs/dbraw/zinc/51/51/57/410515157.db2.gz ZWBCDWJGGLZYMM-IPJDOKCGSA-N 1 1 319.405 1.997 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352185436 410529916 /nfs/dbraw/zinc/52/99/16/410529916.db2.gz CJMXVBAGUNIJFI-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243511 410670077 /nfs/dbraw/zinc/67/00/77/410670077.db2.gz HGVHLLITUISMBA-RYUDHWBXSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243511 410670081 /nfs/dbraw/zinc/67/00/81/410670081.db2.gz HGVHLLITUISMBA-RYUDHWBXSA-N 1 1 323.349 1.005 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000353068157 410767345 /nfs/dbraw/zinc/76/73/45/410767345.db2.gz QMQOSLPKSVOLQB-LLVKDONJSA-N 1 1 307.354 1.231 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)CC2(C)C)c(C)c1[N+](=O)[O-] ZINC000330580962 410797607 /nfs/dbraw/zinc/79/76/07/410797607.db2.gz UAZQNBHMFTXHLT-UHFFFAOYSA-N 1 1 323.397 1.351 20 5 DDBDMO COc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935489 410832894 /nfs/dbraw/zinc/83/28/94/410832894.db2.gz RLDRMVVBQWTPIS-OTYXRUKQSA-N 1 1 313.329 1.874 20 5 DDBDMO COc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935489 410832909 /nfs/dbraw/zinc/83/29/09/410832909.db2.gz RLDRMVVBQWTPIS-OTYXRUKQSA-N 1 1 313.329 1.874 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1CCO ZINC000302397745 410842893 /nfs/dbraw/zinc/84/28/93/410842893.db2.gz JJDSQMJWOUWVMY-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330649746 410851644 /nfs/dbraw/zinc/85/16/44/410851644.db2.gz JELPDOFQFIXSMW-UXIGCNINSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667350 410862192 /nfs/dbraw/zinc/86/21/92/410862192.db2.gz IUQOJZKRNTXDDC-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667350 410862195 /nfs/dbraw/zinc/86/21/95/410862195.db2.gz IUQOJZKRNTXDDC-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667350 410862202 /nfs/dbraw/zinc/86/22/02/410862202.db2.gz IUQOJZKRNTXDDC-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000348307509 410908858 /nfs/dbraw/zinc/90/88/58/410908858.db2.gz MARAAYRSUFFCHK-LLVKDONJSA-N 1 1 317.349 1.926 20 5 DDBDMO Cc1nn(CCC(=O)NCC[N@@H+]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000348356593 410932455 /nfs/dbraw/zinc/93/24/55/410932455.db2.gz ZQFQOJXNCBZXOR-UHFFFAOYSA-N 1 1 321.381 1.176 20 5 DDBDMO Cc1c(CNC(=O)[C@H](C)[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000331105410 410950059 /nfs/dbraw/zinc/95/00/59/410950059.db2.gz GFBWXTTURJJWMJ-LBPRGKRZSA-N 1 1 323.418 1.957 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331113755 410956688 /nfs/dbraw/zinc/95/66/88/410956688.db2.gz JKJYWGGVMMUSOP-VIFPVBQESA-N 1 1 313.304 1.578 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331113755 410956690 /nfs/dbraw/zinc/95/66/90/410956690.db2.gz JKJYWGGVMMUSOP-VIFPVBQESA-N 1 1 313.304 1.578 20 5 DDBDMO COCCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344113320 410963381 /nfs/dbraw/zinc/96/33/81/410963381.db2.gz LXHIQWZEGRWDKE-UHFFFAOYSA-N 1 1 308.338 1.566 20 5 DDBDMO COCCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344113320 410963385 /nfs/dbraw/zinc/96/33/85/410963385.db2.gz LXHIQWZEGRWDKE-UHFFFAOYSA-N 1 1 308.338 1.566 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133176 410979068 /nfs/dbraw/zinc/97/90/68/410979068.db2.gz PVXWHSINWAOKJG-MCIONIFRSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1n1ccnc1 ZINC000129820508 196078131 /nfs/dbraw/zinc/07/81/31/196078131.db2.gz DBNCRLPUSOSBBL-STQMWFEESA-N 1 1 304.354 1.571 20 5 DDBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140702 225222755 /nfs/dbraw/zinc/22/27/55/225222755.db2.gz QJVVFHKGURGKJK-NHYWBVRUSA-N 1 1 324.356 1.999 20 5 DDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000373795776 418459760 /nfs/dbraw/zinc/45/97/60/418459760.db2.gz GCQQIUNHGYKOJF-HNNXBMFYSA-N 1 1 324.381 1.451 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000192568326 418523591 /nfs/dbraw/zinc/52/35/91/418523591.db2.gz UIZOSUXAAVFQQE-LLVKDONJSA-N 1 1 311.386 1.277 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000192568326 418523594 /nfs/dbraw/zinc/52/35/94/418523594.db2.gz UIZOSUXAAVFQQE-LLVKDONJSA-N 1 1 311.386 1.277 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029341 418569802 /nfs/dbraw/zinc/56/98/02/418569802.db2.gz AOUGICQIIVVVPA-LBPRGKRZSA-N 1 1 305.382 1.570 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncccc3[N+](=O)[O-])C2)CC1 ZINC000361029341 418569805 /nfs/dbraw/zinc/56/98/05/418569805.db2.gz AOUGICQIIVVVPA-LBPRGKRZSA-N 1 1 305.382 1.570 20 5 DDBDMO COc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422945645 227273719 /nfs/dbraw/zinc/27/37/19/227273719.db2.gz NOEDKENZSZCAOH-RAIGVLPGSA-N 1 1 309.366 1.445 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000371559691 418800835 /nfs/dbraw/zinc/80/08/35/418800835.db2.gz AHDIACKQTAIOBH-MFKMUULPSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930641 419361386 /nfs/dbraw/zinc/36/13/86/419361386.db2.gz CRRPVFNDTKNSIB-STQMWFEESA-N 1 1 321.377 1.874 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411745431 419396198 /nfs/dbraw/zinc/39/61/98/419396198.db2.gz MFXWUPZIRWMTAL-CYBMUJFWSA-N 1 1 307.350 1.769 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000420956239 419384271 /nfs/dbraw/zinc/38/42/71/419384271.db2.gz MVCCUFBUUAUBEJ-CYBMUJFWSA-N 1 1 307.350 1.704 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000420956239 419384278 /nfs/dbraw/zinc/38/42/78/419384278.db2.gz MVCCUFBUUAUBEJ-CYBMUJFWSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420993405 419429509 /nfs/dbraw/zinc/42/95/09/419429509.db2.gz ATBYJVMNQOVPLL-DOMZBBRYSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000412029096 419575195 /nfs/dbraw/zinc/57/51/95/419575195.db2.gz COODFZNKXOBVAJ-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000412029096 419575200 /nfs/dbraw/zinc/57/52/00/419575200.db2.gz COODFZNKXOBVAJ-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418228602 419631201 /nfs/dbraw/zinc/63/12/01/419631201.db2.gz FAZSUIHYJXBKST-NHYWBVRUSA-N 1 1 324.356 1.999 20 5 DDBDMO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000434790408 229332631 /nfs/dbraw/zinc/33/26/31/229332631.db2.gz UJXFIFFABINDMG-ZIAGYGMSSA-N 1 1 320.349 1.755 20 5 DDBDMO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430971484 420227805 /nfs/dbraw/zinc/22/78/05/420227805.db2.gz NNOWZNOXHUSDNJ-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000423992481 420296637 /nfs/dbraw/zinc/29/66/37/420296637.db2.gz GFTFMJOCCDTLAD-LBPRGKRZSA-N 1 1 315.333 1.413 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000457072505 420602398 /nfs/dbraw/zinc/60/23/98/420602398.db2.gz IYUORHMWUCSNGH-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457057173 420598226 /nfs/dbraw/zinc/59/82/26/420598226.db2.gz MQLYYRCIGNJCGB-UHFFFAOYSA-N 1 1 321.381 1.636 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000440960648 420621730 /nfs/dbraw/zinc/62/17/30/420621730.db2.gz RSDNCQPTSUYMEF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000440960648 420621734 /nfs/dbraw/zinc/62/17/34/420621734.db2.gz RSDNCQPTSUYMEF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443065896 420741368 /nfs/dbraw/zinc/74/13/68/420741368.db2.gz CRPMLZFNSRDGPR-QWHCGFSZSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493046673 420743651 /nfs/dbraw/zinc/74/36/51/420743651.db2.gz KJVNOAOTUOMQJW-LLYBFZRZSA-N 1 1 307.325 1.768 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000454747709 420918807 /nfs/dbraw/zinc/91/88/07/420918807.db2.gz CAXAUMQMJWENAA-CMPLNLGQSA-N 1 1 319.365 1.388 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000455200298 420981737 /nfs/dbraw/zinc/98/17/37/420981737.db2.gz VJMGOEJDVFQUJN-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000455200298 420981740 /nfs/dbraw/zinc/98/17/40/420981740.db2.gz VJMGOEJDVFQUJN-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000449364563 420999283 /nfs/dbraw/zinc/99/92/83/420999283.db2.gz SHYAZWFTNGFCJI-XHDPSFHLSA-N 1 1 314.345 1.737 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000449518210 421019477 /nfs/dbraw/zinc/01/94/77/421019477.db2.gz NDFXXICYJBYOEQ-GFCCVEGCSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000449536579 421024322 /nfs/dbraw/zinc/02/43/22/421024322.db2.gz FMDMPXJEPMOXPD-LAMLHYTJSA-N 1 1 319.405 1.995 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000456217698 421124402 /nfs/dbraw/zinc/12/44/02/421124402.db2.gz XXPKMEIHSUCUBX-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000456217698 421124404 /nfs/dbraw/zinc/12/44/04/421124404.db2.gz XXPKMEIHSUCUBX-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879217 421072751 /nfs/dbraw/zinc/07/27/51/421072751.db2.gz CBBPRZDXJQOUEJ-NXEZZACHSA-N 1 1 319.365 1.387 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000456335301 421144203 /nfs/dbraw/zinc/14/42/03/421144203.db2.gz AJDZELPTNPCLNK-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456357979 421149556 /nfs/dbraw/zinc/14/95/56/421149556.db2.gz STPCNWPTICWYJX-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450459825 421200271 /nfs/dbraw/zinc/20/02/71/421200271.db2.gz LUGCEDAXKXMZBB-UHFFFAOYSA-N 1 1 307.398 1.818 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000562927002 421426994 /nfs/dbraw/zinc/42/69/94/421426994.db2.gz ZRVNHMVCPJJIDQ-LLVKDONJSA-N 1 1 306.366 1.836 20 5 DDBDMO Nc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000555512389 421680182 /nfs/dbraw/zinc/68/01/82/421680182.db2.gz JXVHWAGXLIUUBR-UHFFFAOYSA-N 1 1 314.349 1.289 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000556804198 421739654 /nfs/dbraw/zinc/73/96/54/421739654.db2.gz BYBBAIHVWASHOZ-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000556804198 421739655 /nfs/dbraw/zinc/73/96/55/421739655.db2.gz BYBBAIHVWASHOZ-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558756535 421824858 /nfs/dbraw/zinc/82/48/58/421824858.db2.gz GRAONBGMRCDRHV-QWHCGFSZSA-N 1 1 315.333 1.146 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000521300910 421780401 /nfs/dbraw/zinc/78/04/01/421780401.db2.gz GKEIASKKCOPTKE-AWEZNQCLSA-N 1 1 305.378 1.998 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521839200 421800915 /nfs/dbraw/zinc/80/09/15/421800915.db2.gz QMIIWNPEQWXBOE-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521839200 421800916 /nfs/dbraw/zinc/80/09/16/421800916.db2.gz QMIIWNPEQWXBOE-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000114726426 263337683 /nfs/dbraw/zinc/33/76/83/263337683.db2.gz CLRAUQLTURPLIU-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000114726426 263337687 /nfs/dbraw/zinc/33/76/87/263337687.db2.gz CLRAUQLTURPLIU-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO COCC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291587988 274030005 /nfs/dbraw/zinc/03/00/05/274030005.db2.gz HDVYPIZCMTXLLX-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO COCCOCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000079385182 274037266 /nfs/dbraw/zinc/03/72/66/274037266.db2.gz CNDAYPGLPHEOSU-UHFFFAOYSA-N 1 1 309.366 1.380 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000430208339 274099557 /nfs/dbraw/zinc/09/95/57/274099557.db2.gz UONWDQNGTMTZPX-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000430208339 274099559 /nfs/dbraw/zinc/09/95/59/274099559.db2.gz UONWDQNGTMTZPX-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000193822702 276178899 /nfs/dbraw/zinc/17/88/99/276178899.db2.gz GZJMJBOTALXQPC-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000193822702 276178900 /nfs/dbraw/zinc/17/89/00/276178900.db2.gz GZJMJBOTALXQPC-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000301658148 277131361 /nfs/dbraw/zinc/13/13/61/277131361.db2.gz LTIMTAYWLLBBPA-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000114458659 281074895 /nfs/dbraw/zinc/07/48/95/281074895.db2.gz QSRIHRVNNHPCCY-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000122604867 281158899 /nfs/dbraw/zinc/15/88/99/281158899.db2.gz OUCRHFDGFCBMEJ-OAHLLOKOSA-N 1 1 318.377 1.757 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000152092123 281718448 /nfs/dbraw/zinc/71/84/48/281718448.db2.gz XUTVJHJJODOXNK-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO CC(C)[NH2+]C1(CO)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000573016695 304570359 /nfs/dbraw/zinc/57/03/59/304570359.db2.gz ZHWORCGXUGBPLZ-UHFFFAOYSA-N 1 1 323.393 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362096546 300004018 /nfs/dbraw/zinc/00/40/18/300004018.db2.gz MWQTVAKGOCOSDS-GRYCIOLGSA-N 1 1 307.350 1.482 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000362718786 300122205 /nfs/dbraw/zinc/12/22/05/300122205.db2.gz BJRFOMPVGFFEQN-QWHCGFSZSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000362718786 300122206 /nfs/dbraw/zinc/12/22/06/300122206.db2.gz BJRFOMPVGFFEQN-QWHCGFSZSA-N 1 1 319.361 1.578 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368953014 301109457 /nfs/dbraw/zinc/10/94/57/301109457.db2.gz ZGWFQIKJCFYHNR-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976267 301115717 /nfs/dbraw/zinc/11/57/17/301115717.db2.gz VGECAVZOBQBKCJ-GUTXKFCHSA-N 1 1 303.362 1.989 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976929 301115988 /nfs/dbraw/zinc/11/59/88/301115988.db2.gz ZVOQIXYJCRFJCJ-ATGSNQNLSA-N 1 1 319.361 1.214 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000376501003 302085648 /nfs/dbraw/zinc/08/56/48/302085648.db2.gz NEWDPVPLOCRQIT-UHFFFAOYSA-N 1 1 307.354 1.361 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000538714003 303389991 /nfs/dbraw/zinc/38/99/91/303389991.db2.gz GFVUDZNREXXXAJ-NHYWBVRUSA-N 1 1 318.377 1.803 20 5 DDBDMO Cc1cc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887495 307052406 /nfs/dbraw/zinc/05/24/06/307052406.db2.gz JEHNEPJRDCNOHA-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887495 307052407 /nfs/dbraw/zinc/05/24/07/307052407.db2.gz JEHNEPJRDCNOHA-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364894535 307052803 /nfs/dbraw/zinc/05/28/03/307052803.db2.gz KJRYQMPIIXWBNE-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO COc1cccc(N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000364976289 307055679 /nfs/dbraw/zinc/05/56/79/307055679.db2.gz DNDLKTBZEIFXGP-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000370997932 307140201 /nfs/dbraw/zinc/14/02/01/307140201.db2.gz KLUGQRORYKFZAE-CSOLROPVSA-N 1 1 306.362 1.721 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000377683740 307275796 /nfs/dbraw/zinc/27/57/96/307275796.db2.gz UZVIEAWEUMLMOZ-RYUDHWBXSA-N 1 1 305.334 1.042 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000377988177 307279705 /nfs/dbraw/zinc/27/97/05/307279705.db2.gz JNRZXPBBYFVXEG-GFCCVEGCSA-N 1 1 317.349 1.971 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000570112889 308158998 /nfs/dbraw/zinc/15/89/98/308158998.db2.gz KLZREBRAKKDVSR-CWNOIDMWSA-N 1 1 316.361 1.706 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@H+](CC=Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000570112889 308159000 /nfs/dbraw/zinc/15/90/00/308159000.db2.gz KLZREBRAKKDVSR-CWNOIDMWSA-N 1 1 316.361 1.706 20 5 DDBDMO CNc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000389117673 325774120 /nfs/dbraw/zinc/77/41/20/325774120.db2.gz OAPYLOCDOKAASJ-UHFFFAOYSA-N 1 1 324.406 1.415 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433162281 533794479 /nfs/dbraw/zinc/79/44/79/533794479.db2.gz UEBRZSPUVKBCRH-CYBMUJFWSA-N 1 1 312.366 1.821 20 5 DDBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451546095 527764177 /nfs/dbraw/zinc/76/41/77/527764177.db2.gz RUWREUVSSJMUOK-XHDPSFHLSA-N 1 1 321.377 1.941 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000490294145 528737493 /nfs/dbraw/zinc/73/74/93/528737493.db2.gz ZKUYPJUEFUNPMX-LBPRGKRZSA-N 1 1 308.338 1.108 20 5 DDBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO ZINC000292861306 528890759 /nfs/dbraw/zinc/89/07/59/528890759.db2.gz AFYSJANYDQVGNK-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO ZINC000292861306 528890762 /nfs/dbraw/zinc/89/07/62/528890762.db2.gz AFYSJANYDQVGNK-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174860233 535470212 /nfs/dbraw/zinc/47/02/12/535470212.db2.gz NUVNTLBBUXAJDB-CYBMUJFWSA-N 1 1 309.370 1.124 20 5 DDBDMO CC[N@@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821242876 606732150 /nfs/dbraw/zinc/73/21/50/606732150.db2.gz XGIKUCLABASLQB-ZANVPECISA-N 1 1 317.353 1.527 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000797731691 700021935 /nfs/dbraw/zinc/02/19/35/700021935.db2.gz CPUIWWJQQQSAFE-GFCCVEGCSA-N 1 1 307.350 1.445 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000797731691 700021936 /nfs/dbraw/zinc/02/19/36/700021936.db2.gz CPUIWWJQQQSAFE-GFCCVEGCSA-N 1 1 307.350 1.445 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000101953272 696609461 /nfs/dbraw/zinc/60/94/61/696609461.db2.gz SLQSTRYDYLUUAJ-UHFFFAOYSA-N 1 1 313.329 1.569 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000105613019 696623907 /nfs/dbraw/zinc/62/39/07/696623907.db2.gz HAYSAKDHCRWCPX-LBPRGKRZSA-N 1 1 307.350 1.704 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000105613019 696623908 /nfs/dbraw/zinc/62/39/08/696623908.db2.gz HAYSAKDHCRWCPX-LBPRGKRZSA-N 1 1 307.350 1.704 20 5 DDBDMO CCOC[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000177629440 697414509 /nfs/dbraw/zinc/41/45/09/697414509.db2.gz JPZHQFUPNRQVLF-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000177629440 697414511 /nfs/dbraw/zinc/41/45/11/697414511.db2.gz JPZHQFUPNRQVLF-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273992 698091033 /nfs/dbraw/zinc/09/10/33/698091033.db2.gz AXGSRGHDSOMRKZ-OAHLLOKOSA-N 1 1 304.350 1.884 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583089 698121746 /nfs/dbraw/zinc/12/17/46/698121746.db2.gz ZLXFRRANJPGGTM-QKCSRTOESA-N 1 1 307.350 1.214 20 5 DDBDMO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000750066375 700202059 /nfs/dbraw/zinc/20/20/59/700202059.db2.gz ISYXXUOBHMDGHR-HZPDHXFCSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000750066375 700202061 /nfs/dbraw/zinc/20/20/61/700202061.db2.gz ISYXXUOBHMDGHR-HZPDHXFCSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000750066375 700202064 /nfs/dbraw/zinc/20/20/64/700202064.db2.gz ISYXXUOBHMDGHR-HZPDHXFCSA-N 1 1 305.378 1.797 20 5 DDBDMO Cc1nn(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000247049839 698360281 /nfs/dbraw/zinc/36/02/81/698360281.db2.gz UDZUMXOGBZWUGH-UONOGXRCSA-N 1 1 307.398 1.782 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000782524608 698734415 /nfs/dbraw/zinc/73/44/15/698734415.db2.gz OMGPJTVWRLUXRF-TVQRCGJNSA-N 1 1 311.313 1.375 20 5 DDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](CN3CCOC3=S)CC2)n1 ZINC000782859198 698774017 /nfs/dbraw/zinc/77/40/17/698774017.db2.gz FPLHOESANVPYNW-UHFFFAOYSA-N 1 1 311.367 1.003 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000783923323 698892747 /nfs/dbraw/zinc/89/27/47/698892747.db2.gz YCYQHUUJOBDBAJ-SNVBAGLBSA-N 1 1 321.333 1.538 20 5 DDBDMO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000704906189 699238630 /nfs/dbraw/zinc/23/86/30/699238630.db2.gz HMTQHGGTGJYSRU-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000789955454 699425178 /nfs/dbraw/zinc/42/51/78/699425178.db2.gz OUDYDADAMZPDGF-JTQLQIEISA-N 1 1 310.310 1.539 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000736310940 699723629 /nfs/dbraw/zinc/72/36/29/699723629.db2.gz ACFXBSGGDKJEAM-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+](C[C@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794632452 699820141 /nfs/dbraw/zinc/82/01/41/699820141.db2.gz PJIBAODOCUFDTM-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794632452 699820143 /nfs/dbraw/zinc/82/01/43/699820143.db2.gz PJIBAODOCUFDTM-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385198 699947451 /nfs/dbraw/zinc/94/74/51/699947451.db2.gz MZKFFYHYVHAYNT-DOMZBBRYSA-N 1 1 316.361 1.772 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3OCCCO3)C2)nc1 ZINC000754652250 700516949 /nfs/dbraw/zinc/51/69/49/700516949.db2.gz MDEWSJXAQGUMLF-LBPRGKRZSA-N 1 1 322.365 1.629 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000755921150 700592390 /nfs/dbraw/zinc/59/23/90/700592390.db2.gz KMBCAAZGTTZBMM-LLVKDONJSA-N 1 1 312.333 1.970 20 5 DDBDMO COCCN(CC(C)C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867946623 701847227 /nfs/dbraw/zinc/84/72/27/701847227.db2.gz SOGMYGGINGFILI-MRXNPFEDSA-N 1 1 323.393 1.900 20 5 DDBDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576033 701898449 /nfs/dbraw/zinc/89/84/49/701898449.db2.gz HKIVUIJNQFUYRK-FPMFFAJLSA-N 1 1 320.393 1.691 20 5 DDBDMO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576033 701898453 /nfs/dbraw/zinc/89/84/53/701898453.db2.gz HKIVUIJNQFUYRK-FPMFFAJLSA-N 1 1 320.393 1.691 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812333335 702157454 /nfs/dbraw/zinc/15/74/54/702157454.db2.gz XPKDYKNHSVNQRR-PWSUYJOCSA-N 1 1 305.334 1.324 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812333335 702157455 /nfs/dbraw/zinc/15/74/55/702157455.db2.gz XPKDYKNHSVNQRR-PWSUYJOCSA-N 1 1 305.334 1.324 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209644 706649708 /nfs/dbraw/zinc/64/97/08/706649708.db2.gz UOGOAHRHDBXVSX-JQWIXIFHSA-N 1 1 320.349 1.307 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816953657 702237298 /nfs/dbraw/zinc/23/72/98/702237298.db2.gz LOOSPBQXZXQKGV-XHDPSFHLSA-N 1 1 318.377 1.437 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841036689 702318256 /nfs/dbraw/zinc/31/82/56/702318256.db2.gz VUCUTBYAUQKUDG-AWEZNQCLSA-N 1 1 304.394 1.905 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879571938 706722084 /nfs/dbraw/zinc/72/20/84/706722084.db2.gz USADZQFHIBHPLU-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580630 706727192 /nfs/dbraw/zinc/72/71/92/706727192.db2.gz IPUKDFVUHYLSFV-VNQPRFMTSA-N 1 1 305.378 1.654 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846053390 703231055 /nfs/dbraw/zinc/23/10/55/703231055.db2.gz QEQSDXJFSWPSTJ-GHMZBOCLSA-N 1 1 300.742 1.830 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846053390 703231056 /nfs/dbraw/zinc/23/10/56/703231056.db2.gz QEQSDXJFSWPSTJ-GHMZBOCLSA-N 1 1 300.742 1.830 20 5 DDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847935837 703485483 /nfs/dbraw/zinc/48/54/83/703485483.db2.gz BLVSDEUKZPLKLN-UHFFFAOYSA-N 1 1 319.296 1.419 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc([N+](=O)[O-])c1 ZINC000869781406 703851216 /nfs/dbraw/zinc/85/12/16/703851216.db2.gz NQOQEWMTGNRHFX-ZDUSSCGKSA-N 1 1 321.377 1.478 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCOCCO)C2CCC2)cc1 ZINC000852289832 703998134 /nfs/dbraw/zinc/99/81/34/703998134.db2.gz DHKVJGGSPAUNAN-MRXNPFEDSA-N 1 1 324.377 1.492 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000818959296 704035509 /nfs/dbraw/zinc/03/55/09/704035509.db2.gz HQCBESFHOLHNNH-HRCADAONSA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000818959296 704035510 /nfs/dbraw/zinc/03/55/10/704035510.db2.gz HQCBESFHOLHNNH-HRCADAONSA-N 1 1 305.378 1.845 20 5 DDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852414979 704038978 /nfs/dbraw/zinc/03/89/78/704038978.db2.gz CBIVOSSFBCHDLD-CMPLNLGQSA-N 1 1 314.725 1.668 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852695837 704101466 /nfs/dbraw/zinc/10/14/66/704101466.db2.gz GYLQUSUNUYXAAK-YUTCNCBUSA-N 1 1 308.334 1.512 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870912457 704165635 /nfs/dbraw/zinc/16/56/35/704165635.db2.gz IAUVTJQTFATHKH-GDBMZVCRSA-N 1 1 321.377 1.652 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br)C1CC1 ZINC000853064642 704191304 /nfs/dbraw/zinc/19/13/04/704191304.db2.gz JVKOCKUBRMSBFY-MRVPVSSYSA-N 1 1 319.159 1.009 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@H]2COCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000853556730 704268056 /nfs/dbraw/zinc/26/80/56/704268056.db2.gz CGFUJXMFEWOYBZ-ZDUSSCGKSA-N 1 1 320.349 1.558 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@H]2COCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000853556730 704268057 /nfs/dbraw/zinc/26/80/57/704268057.db2.gz CGFUJXMFEWOYBZ-ZDUSSCGKSA-N 1 1 320.349 1.558 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CC1(O)CCC1)C2 ZINC000859208956 704821609 /nfs/dbraw/zinc/82/16/09/704821609.db2.gz VABIJGZKLLMEAX-CYBMUJFWSA-N 1 1 306.362 1.619 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)CC1(O)CCC1)C2 ZINC000859208956 704821614 /nfs/dbraw/zinc/82/16/14/704821614.db2.gz VABIJGZKLLMEAX-CYBMUJFWSA-N 1 1 306.362 1.619 20 5 DDBDMO CC(C)(CCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[N+](=O)[O-] ZINC000822218445 704894868 /nfs/dbraw/zinc/89/48/68/704894868.db2.gz LIALSBBBJISPRA-ZDUSSCGKSA-N 1 1 313.398 1.145 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179356 705163041 /nfs/dbraw/zinc/16/30/41/705163041.db2.gz MBSPJRJIJYEQHA-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179356 705163048 /nfs/dbraw/zinc/16/30/48/705163048.db2.gz MBSPJRJIJYEQHA-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179356 705163052 /nfs/dbraw/zinc/16/30/52/705163052.db2.gz MBSPJRJIJYEQHA-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000874827015 705185513 /nfs/dbraw/zinc/18/55/13/705185513.db2.gz AGNBGIWHFWJHRN-MNOVXSKESA-N 1 1 307.354 1.120 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827729 705186085 /nfs/dbraw/zinc/18/60/85/705186085.db2.gz SWYYQWWTDQFOBI-RBSFLKMASA-N 1 1 319.361 1.323 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848394 705202396 /nfs/dbraw/zinc/20/23/96/705202396.db2.gz SGBVGBZXBBYDNV-KGLIPLIRSA-N 1 1 318.377 1.945 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848711 705202554 /nfs/dbraw/zinc/20/25/54/705202554.db2.gz GMDIGNFSLFCPRD-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352438 705441512 /nfs/dbraw/zinc/44/15/12/705441512.db2.gz JDISQSIEPGTBPT-RISCZKNCSA-N 1 1 302.371 1.474 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471961 705677392 /nfs/dbraw/zinc/67/73/92/705677392.db2.gz FVZGOJPTJOZFHC-WFASDCNBSA-N 1 1 321.377 1.475 20 5 DDBDMO CC(C)CNC(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000876559864 705758063 /nfs/dbraw/zinc/75/80/63/705758063.db2.gz HPAPPUVIKJMYNR-UHFFFAOYSA-N 1 1 323.397 1.313 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCN1CCOCC1 ZINC000876680816 705816239 /nfs/dbraw/zinc/81/62/39/705816239.db2.gz JOEVMLOBAHTFQW-UHFFFAOYSA-N 1 1 307.394 1.976 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCN(C4CC4)C3)C2)c1 ZINC000876930253 705928595 /nfs/dbraw/zinc/92/85/95/705928595.db2.gz UPOAZEQOUPRXCS-DCBWTQNWSA-N 1 1 305.382 1.569 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827312340 705973427 /nfs/dbraw/zinc/97/34/27/705973427.db2.gz UNMORWJSMQSIBG-YPMHNXCESA-N 1 1 318.377 1.652 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827331139 705977582 /nfs/dbraw/zinc/97/75/82/705977582.db2.gz WSHUUTLNZSDACW-MFKMUULPSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nc1 ZINC000877657199 706172024 /nfs/dbraw/zinc/17/20/24/706172024.db2.gz ARPZARQTSYHPGZ-ZDUSSCGKSA-N 1 1 317.349 1.685 20 5 DDBDMO Cc1ccc(O[C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nc1 ZINC000877657199 706172028 /nfs/dbraw/zinc/17/20/28/706172028.db2.gz ARPZARQTSYHPGZ-ZDUSSCGKSA-N 1 1 317.349 1.685 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449527 706334971 /nfs/dbraw/zinc/33/49/71/706334971.db2.gz CEDNZBPSZOMRCU-RBSFLKMASA-N 1 1 303.362 1.909 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)C1 ZINC000865827388 706538265 /nfs/dbraw/zinc/53/82/65/706538265.db2.gz JUVAAIWUGLIJHB-OAHLLOKOSA-N 1 1 309.341 1.758 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc1 ZINC000865999942 706590165 /nfs/dbraw/zinc/59/01/65/706590165.db2.gz LCVFUKBCIHQHTN-UHFFFAOYSA-N 1 1 311.345 1.707 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134674 706886394 /nfs/dbraw/zinc/88/63/94/706886394.db2.gz OIYAJPRLQNJLJW-GJZGRUSLSA-N 1 1 318.377 1.702 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000832359075 706896990 /nfs/dbraw/zinc/89/69/90/706896990.db2.gz BTCDHDOMXOUJHS-FZMZJTMJSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000832359075 706896994 /nfs/dbraw/zinc/89/69/94/706896994.db2.gz BTCDHDOMXOUJHS-FZMZJTMJSA-N 1 1 307.350 1.181 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](CF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880297008 706932040 /nfs/dbraw/zinc/93/20/40/706932040.db2.gz IQHYOJSFNOSNNZ-NSHDSACASA-N 1 1 307.325 1.775 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](CF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880297008 706932042 /nfs/dbraw/zinc/93/20/42/706932042.db2.gz IQHYOJSFNOSNNZ-NSHDSACASA-N 1 1 307.325 1.775 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000880460704 706981927 /nfs/dbraw/zinc/98/19/27/706981927.db2.gz BNSOSEYWAZWBGQ-HNNXBMFYSA-N 1 1 304.350 1.847 20 5 DDBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)F ZINC000871654170 707154987 /nfs/dbraw/zinc/15/49/87/707154987.db2.gz OZGTVLRIZSAZLG-UHFFFAOYSA-N 1 1 318.667 1.920 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)Cn2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000881397501 707234201 /nfs/dbraw/zinc/23/42/01/707234201.db2.gz BZKJKQCDVDYRQX-OAHLLOKOSA-N 1 1 317.349 1.516 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000872126479 707297987 /nfs/dbraw/zinc/29/79/87/707297987.db2.gz KQSCMFBJTVJIGU-CQDKDKBSSA-N 1 1 316.361 1.778 20 5 DDBDMO CC(=O)c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757692 707587349 /nfs/dbraw/zinc/58/73/49/707587349.db2.gz FNUAAPNAHQSWOG-UONOGXRCSA-N 1 1 319.361 1.443 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000883893570 708077296 /nfs/dbraw/zinc/07/72/96/708077296.db2.gz NRNGQFXMOGTTDZ-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000884004341 708098889 /nfs/dbraw/zinc/09/88/89/708098889.db2.gz SZJNDARHAXPXCX-LLVKDONJSA-N 1 1 323.422 1.948 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]12CC[N@@H+](C1)CCC2 ZINC000896694028 708122058 /nfs/dbraw/zinc/12/20/58/708122058.db2.gz RDZSATPWJFSQLH-INIZCTEOSA-N 1 1 303.362 1.739 20 5 DDBDMO CC(C)(CCC(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1)[N+](=O)[O-] ZINC000885888707 708655306 /nfs/dbraw/zinc/65/53/06/708655306.db2.gz OBMICPHHFMYOQY-ZDUSSCGKSA-N 1 1 313.398 1.191 20 5 DDBDMO Cc1c(CC(=O)N[C@H]2CCC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898494385 708657197 /nfs/dbraw/zinc/65/71/97/708657197.db2.gz AIERBNDACIWHEI-AWEZNQCLSA-N 1 1 323.368 1.996 20 5 DDBDMO Cc1c(CC(=O)N[C@H]2CCC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898494385 708657199 /nfs/dbraw/zinc/65/71/99/708657199.db2.gz AIERBNDACIWHEI-AWEZNQCLSA-N 1 1 323.368 1.996 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886176598 708710196 /nfs/dbraw/zinc/71/01/96/708710196.db2.gz HAIUUMGEKVZOPI-ZDUSSCGKSA-N 1 1 320.393 1.675 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105961 713132613 /nfs/dbraw/zinc/13/26/13/713132613.db2.gz XKHQFWOFKJFFJN-WCQYABFASA-N 1 1 322.390 1.299 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105961 713132615 /nfs/dbraw/zinc/13/26/15/713132615.db2.gz XKHQFWOFKJFFJN-WCQYABFASA-N 1 1 322.390 1.299 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000910291696 709870964 /nfs/dbraw/zinc/87/09/64/709870964.db2.gz DUHQUBQGQZAVEW-NSHDSACASA-N 1 1 306.366 1.855 20 5 DDBDMO Cn1c2ccccc2c(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1=O ZINC000892007844 710351745 /nfs/dbraw/zinc/35/17/45/710351745.db2.gz NMFSBDGZPSIMNM-LLVKDONJSA-N 1 1 316.361 1.953 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000928444034 713198484 /nfs/dbraw/zinc/19/84/84/713198484.db2.gz IJXRACWCVXEBRK-CABZTGNLSA-N 1 1 311.313 1.322 20 5 DDBDMO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903086832 711028067 /nfs/dbraw/zinc/02/80/67/711028067.db2.gz ANFBQHFTGIIINN-SNVBAGLBSA-N 1 1 316.379 1.689 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000895455597 711516475 /nfs/dbraw/zinc/51/64/75/711516475.db2.gz CFMMLIRKVBKSCM-MEBBXXQBSA-N 1 1 310.350 1.759 20 5 DDBDMO Cn1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895645426 711567703 /nfs/dbraw/zinc/56/77/03/711567703.db2.gz BYDIDGHSTNMBGT-CZUORRHYSA-N 1 1 314.345 1.562 20 5 DDBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@H+]3C)c2c1 ZINC000895768126 711600693 /nfs/dbraw/zinc/60/06/93/711600693.db2.gz WUCDQCWBOVWUCZ-SNVBAGLBSA-N 1 1 302.334 1.690 20 5 DDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000896570058 711754975 /nfs/dbraw/zinc/75/49/75/711754975.db2.gz XCFKTFONGULAJX-IINYFYTJSA-N 1 1 324.356 1.098 20 5 DDBDMO COCC[N@@H+](C)CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000915212686 713412874 /nfs/dbraw/zinc/41/28/74/713412874.db2.gz KXEFHESWALLSIM-UHFFFAOYSA-N 1 1 307.354 1.623 20 5 DDBDMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929110711 713548397 /nfs/dbraw/zinc/54/83/97/713548397.db2.gz FUTJHLCMZUGKHH-HUUCEWRRSA-N 1 1 303.362 1.862 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000921204311 713721252 /nfs/dbraw/zinc/72/12/52/713721252.db2.gz YIASJXWGIQYKAS-UHFFFAOYSA-N 1 1 317.349 1.155 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921336894 713738326 /nfs/dbraw/zinc/73/83/26/713738326.db2.gz ZLTQDTUEILAPKS-YPMHNXCESA-N 1 1 306.366 1.968 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000930882730 713949059 /nfs/dbraw/zinc/94/90/59/713949059.db2.gz JPPKBUWZYNQYOZ-QWHCGFSZSA-N 1 1 312.753 1.805 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000930882730 713949061 /nfs/dbraw/zinc/94/90/61/713949061.db2.gz JPPKBUWZYNQYOZ-QWHCGFSZSA-N 1 1 312.753 1.805 20 5 DDBDMO O=C1[C@H](N2CCn3cc[nH+]c32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000931521357 714118284 /nfs/dbraw/zinc/11/82/84/714118284.db2.gz FYSDVCUCKBFHSR-CYBMUJFWSA-N 1 1 313.317 1.417 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCn2cc[nH+]c21 ZINC000931523492 714119089 /nfs/dbraw/zinc/11/90/89/714119089.db2.gz DBWQFNOLEDKQIB-SNVBAGLBSA-N 1 1 301.306 1.639 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000922951104 714196289 /nfs/dbraw/zinc/19/62/89/714196289.db2.gz JMZRZJLKSXTHNR-INIZCTEOSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000922951104 714196291 /nfs/dbraw/zinc/19/62/91/714196291.db2.gz JMZRZJLKSXTHNR-INIZCTEOSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934258283 714777523 /nfs/dbraw/zinc/77/75/23/714777523.db2.gz CMKGNSJLIGXJAX-HOTGVXAUSA-N 1 1 323.368 1.765 20 5 DDBDMO C[C@]1(C2CC2)COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000934478511 714829783 /nfs/dbraw/zinc/82/97/83/714829783.db2.gz UZBVNBUARHGTOM-OAHLLOKOSA-N 1 1 307.350 1.257 20 5 DDBDMO C[C@]1(C2CC2)COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000934478511 714829784 /nfs/dbraw/zinc/82/97/84/714829784.db2.gz UZBVNBUARHGTOM-OAHLLOKOSA-N 1 1 307.350 1.257 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925408922 714846153 /nfs/dbraw/zinc/84/61/53/714846153.db2.gz MQODXDMWPYNNOP-CQSZACIVSA-N 1 1 318.377 1.973 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H](O)[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570368 714854134 /nfs/dbraw/zinc/85/41/34/714854134.db2.gz DXABTQLKKXUEBN-MFKMUULPSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@H](O)[C@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570368 714854135 /nfs/dbraw/zinc/85/41/35/714854135.db2.gz DXABTQLKKXUEBN-MFKMUULPSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CCC1 ZINC001025646196 736807691 /nfs/dbraw/zinc/80/76/91/736807691.db2.gz FMFUJIJPGHWJGE-FOLVSLTJSA-N 1 1 315.373 1.941 20 5 DDBDMO Cc1ccc(C)c(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126943993 742944034 /nfs/dbraw/zinc/94/40/34/742944034.db2.gz ZGIVFGZBZUUKJS-ZIAGYGMSSA-N 1 1 321.377 1.053 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134279 743705395 /nfs/dbraw/zinc/70/53/95/743705395.db2.gz GUQDOYDNBAQSQB-WCQYABFASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134279 743705399 /nfs/dbraw/zinc/70/53/99/743705399.db2.gz GUQDOYDNBAQSQB-WCQYABFASA-N 1 1 300.742 1.566 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001121698902 744859922 /nfs/dbraw/zinc/85/99/22/744859922.db2.gz LUVJVWAONGESML-SDDRHHMPSA-N 1 1 308.386 1.166 20 5 DDBDMO Cc1[nH]c(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)c(C)[nH+]1 ZINC001189276385 744868140 /nfs/dbraw/zinc/86/81/40/744868140.db2.gz LZAAXCPEXIEUOK-UHFFFAOYSA-N 1 1 315.289 1.800 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197759198 747248270 /nfs/dbraw/zinc/24/82/70/747248270.db2.gz OTLFCZBNPTZINZ-LBPRGKRZSA-N 1 1 322.365 1.367 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001198872654 747642188 /nfs/dbraw/zinc/64/21/88/747642188.db2.gz QYVFUANWQYDFHN-AWEZNQCLSA-N 1 1 320.393 1.868 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC001201192430 748431304 /nfs/dbraw/zinc/43/13/04/748431304.db2.gz OBCSARRMLMRTBE-UHFFFAOYSA-N 1 1 315.131 1.067 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC001117752469 748996573 /nfs/dbraw/zinc/99/65/73/748996573.db2.gz GYPLEYUNRXAUKA-SNVBAGLBSA-N 1 1 324.356 1.576 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC001117752469 748996577 /nfs/dbraw/zinc/99/65/77/748996577.db2.gz GYPLEYUNRXAUKA-SNVBAGLBSA-N 1 1 324.356 1.576 20 5 DDBDMO O=C(NCC1=CCN(Cc2nccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000669708 762075588 /nfs/dbraw/zinc/07/55/88/762075588.db2.gz KIUUNNJVLVFZNJ-VXGBXAGGSA-N 1 1 322.390 1.057 20 5 DDBDMO [NH3+]C1(c2cccnc2)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992059 762165630 /nfs/dbraw/zinc/16/56/30/762165630.db2.gz JFHAJNCAOBBSHF-UKRRQHHQSA-N 1 1 304.394 1.777 20 5 DDBDMO C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038238 762193668 /nfs/dbraw/zinc/19/36/68/762193668.db2.gz XGUXSHACXFZCFQ-VXGBXAGGSA-N 1 1 313.398 1.983 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024540 762201856 /nfs/dbraw/zinc/20/18/56/762201856.db2.gz WWLWBWAIEZAOJF-AVGNSLFASA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024540 762201859 /nfs/dbraw/zinc/20/18/59/762201859.db2.gz WWLWBWAIEZAOJF-AVGNSLFASA-N 1 1 323.397 1.289 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054388 762210317 /nfs/dbraw/zinc/21/03/17/762210317.db2.gz LTEJMGNVMCYJCB-KGYLQXTDSA-N 1 1 310.329 1.514 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082757 760941862 /nfs/dbraw/zinc/94/18/62/760941862.db2.gz CLPOAHRNWIBLGH-LXTVHRRPSA-N 1 1 303.362 1.336 20 5 DDBDMO Cc1csc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086083211 760943277 /nfs/dbraw/zinc/94/32/77/760943277.db2.gz QUHXRIIMRORRRN-WRWGMCAJSA-N 1 1 324.406 1.101 20 5 DDBDMO Cc1ncsc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363249 761492850 /nfs/dbraw/zinc/49/28/50/761492850.db2.gz JXAWRZAUIWPMJK-DDHJBXDOSA-N 1 1 324.406 1.101 20 5 DDBDMO N=C(NCCCC[NH3+])Nc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157093924 764411671 /nfs/dbraw/zinc/41/16/71/764411671.db2.gz JQPHEHCDNHRDOU-UHFFFAOYSA-N 1 1 303.326 1.213 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334099 766256859 /nfs/dbraw/zinc/25/68/59/766256859.db2.gz BLDCXUKLPVYLEM-WCQYABFASA-N 1 1 310.350 1.228 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC1(C)CC1 ZINC001146463408 772868413 /nfs/dbraw/zinc/86/84/13/772868413.db2.gz ATMYJQBVDCJSAO-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001148757055 773594592 /nfs/dbraw/zinc/59/45/92/773594592.db2.gz DHJNYZBPHUSARY-SSDOTTSWSA-N 1 1 301.734 1.185 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c2n1CCC2 ZINC001177740371 778717869 /nfs/dbraw/zinc/71/78/69/778717869.db2.gz KGVHUMBNERAYFF-UHFFFAOYSA-N 1 1 300.318 1.596 20 5 DDBDMO C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC001266311697 836101928 /nfs/dbraw/zinc/10/19/28/836101928.db2.gz FZQSXRONGUOAPS-FICVDOATSA-N 1 1 319.361 1.035 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1cccc([N+](=O)[O-])c1 ZINC001266311697 836101936 /nfs/dbraw/zinc/10/19/36/836101936.db2.gz FZQSXRONGUOAPS-FICVDOATSA-N 1 1 319.361 1.035 20 5 DDBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001268251823 839895126 /nfs/dbraw/zinc/89/51/26/839895126.db2.gz IWXZXVKAEOQNSL-UHFFFAOYSA-N 1 1 319.321 1.182 20 5 DDBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001268251823 839895139 /nfs/dbraw/zinc/89/51/39/839895139.db2.gz IWXZXVKAEOQNSL-UHFFFAOYSA-N 1 1 319.321 1.182 20 5 DDBDMO CN(CCC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268790110 840814794 /nfs/dbraw/zinc/81/47/94/840814794.db2.gz BGLNNRYHUAXXGI-TZMCWYRMSA-N 1 1 322.365 1.155 20 5 DDBDMO O=C(NCC1([NH2+]Cc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269411720 841621028 /nfs/dbraw/zinc/62/10/28/841621028.db2.gz QSMGJYFQEZUECP-CHWSQXEVSA-N 1 1 323.780 1.744 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119814 862100200 /nfs/dbraw/zinc/10/02/00/862100200.db2.gz LJLLJXDRMCAQIV-XPTSAGLGSA-N 1 1 304.350 1.390 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177858 859980635 /nfs/dbraw/zinc/98/06/35/859980635.db2.gz VSRQIVCGIHPEHE-NSHDSACASA-N 1 1 320.349 1.815 20 5 DDBDMO COC(=O)c1ccnc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001156981293 863494303 /nfs/dbraw/zinc/49/43/03/863494303.db2.gz YJHPWNLOVWPFOA-UHFFFAOYSA-N 1 1 317.305 1.674 20 5 DDBDMO C[N@@H+]1CCC[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001157264857 863692442 /nfs/dbraw/zinc/69/24/42/863692442.db2.gz GEPSZCIJDYKNPW-MWLCHTKSSA-N 1 1 312.757 1.412 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001157264857 863692451 /nfs/dbraw/zinc/69/24/51/863692451.db2.gz GEPSZCIJDYKNPW-MWLCHTKSSA-N 1 1 312.757 1.412 20 5 DDBDMO Cc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001329585020 863739037 /nfs/dbraw/zinc/73/90/37/863739037.db2.gz XLBLZNNGEQUETB-HIFRSBDPSA-N 1 1 318.377 1.749 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001332401689 865814122 /nfs/dbraw/zinc/81/41/22/865814122.db2.gz KHYRDRSRDPNIIW-CABCVRRESA-N 1 1 318.377 1.945 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001320547817 866817885 /nfs/dbraw/zinc/81/78/85/866817885.db2.gz LHTGXXIPCBPPHO-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC001320547817 866817903 /nfs/dbraw/zinc/81/79/03/866817903.db2.gz LHTGXXIPCBPPHO-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CCN(CC[NH2+]CCc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735365 866992011 /nfs/dbraw/zinc/99/20/11/866992011.db2.gz XQYUMFDUNSIKDJ-UKRRQHHQSA-N 1 1 323.368 1.472 20 5 DDBDMO COC(=O)c1ccnc(N[C@]2(C)CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001162338156 867468859 /nfs/dbraw/zinc/46/88/59/867468859.db2.gz XCWWSNHXPHFJFD-CQSZACIVSA-N 1 1 308.338 1.673 20 5 DDBDMO [NH3+][C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCC1(F)F ZINC001164327711 869130732 /nfs/dbraw/zinc/13/07/32/869130732.db2.gz PYEFTNUKTOUYNU-SNVBAGLBSA-N 1 1 309.276 1.711 20 5 DDBDMO NC(=O)COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001337383564 869462799 /nfs/dbraw/zinc/46/27/99/869462799.db2.gz YMVFJLPWVAEKCP-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001338464794 869992877 /nfs/dbraw/zinc/99/28/77/869992877.db2.gz QRRKFOLAYBPVNA-IACUBPJLSA-N 1 1 321.352 1.733 20 5 DDBDMO Cc1ocnc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317440900 870840829 /nfs/dbraw/zinc/84/08/29/870840829.db2.gz TZVFFJXMRFOROV-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO Cc1ocnc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317440900 870840845 /nfs/dbraw/zinc/84/08/45/870840845.db2.gz TZVFFJXMRFOROV-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303799163 871155620 /nfs/dbraw/zinc/15/56/20/871155620.db2.gz DHFCYMBXQYIYGB-BXKDBHETSA-N 1 1 311.769 2.000 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001340735208 871318016 /nfs/dbraw/zinc/31/80/16/871318016.db2.gz JWSUNMMMAIWADB-IINYFYTJSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001340735208 871318032 /nfs/dbraw/zinc/31/80/32/871318032.db2.gz JWSUNMMMAIWADB-IINYFYTJSA-N 1 1 322.365 1.085 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)[C@H](C)C1 ZINC001341741367 871799122 /nfs/dbraw/zinc/79/91/22/871799122.db2.gz DPSUNRURBOALAY-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)[C@H](C)C1 ZINC001341741367 871799142 /nfs/dbraw/zinc/79/91/42/871799142.db2.gz DPSUNRURBOALAY-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO Nc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc[nH+]1 ZINC001318518769 872124836 /nfs/dbraw/zinc/12/48/36/872124836.db2.gz IUVNNYSXELAWCD-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001345491715 873421819 /nfs/dbraw/zinc/42/18/19/873421819.db2.gz PILBQZUMSUJYME-SMDDNHRTSA-N 1 1 304.350 1.230 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC001347597694 874207000 /nfs/dbraw/zinc/20/70/00/874207000.db2.gz RYERSXZWKPHXGH-ZWKOPEQDSA-N 1 1 305.334 1.370 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3nc4c(cccc4[N+](=O)[O-])o3)[C@H]1CC(=O)C2 ZINC001227235408 882924059 /nfs/dbraw/zinc/92/40/59/882924059.db2.gz CXVVKDLJEIZCCS-KDDOJWQBSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nc4c(cccc4[N+](=O)[O-])o3)[C@H]1CC(=O)C2 ZINC001227235408 882924066 /nfs/dbraw/zinc/92/40/66/882924066.db2.gz CXVVKDLJEIZCCS-KDDOJWQBSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1CC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227256349 882935901 /nfs/dbraw/zinc/93/59/01/882935901.db2.gz GPUXVINVWWIVTI-ZETCQYMHSA-N 1 1 302.128 1.835 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228014392 883287401 /nfs/dbraw/zinc/28/74/01/883287401.db2.gz KDVZYRWAXWNGNB-WHGOUJPWSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228014392 883287421 /nfs/dbraw/zinc/28/74/21/883287421.db2.gz KDVZYRWAXWNGNB-WHGOUJPWSA-N 1 1 311.725 1.826 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H](F)CC[NH2+]2)n1 ZINC001247753057 893346016 /nfs/dbraw/zinc/34/60/16/893346016.db2.gz ZNNCYQFDLAWVTQ-XPUUQOCRSA-N 1 1 311.248 1.942 20 5 DDBDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC001248414398 893629891 /nfs/dbraw/zinc/62/98/91/893629891.db2.gz FRHGCICRFHQHGU-VXGBXAGGSA-N 1 1 322.365 1.022 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254558393 896502440 /nfs/dbraw/zinc/50/24/40/896502440.db2.gz FUOYAEFTABCYJB-PBOSXPJTSA-N 1 1 304.346 1.877 20 5 DDBDMO CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611677 896532830 /nfs/dbraw/zinc/53/28/30/896532830.db2.gz QZEULWTXESPNMS-HZPDHXFCSA-N 1 1 303.362 1.615 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001293928022 914777808 /nfs/dbraw/zinc/77/78/08/914777808.db2.gz LVTLVHMJSRGTFY-JTQLQIEISA-N 1 1 321.333 1.662 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457353 231102112 /nfs/dbraw/zinc/10/21/12/231102112.db2.gz MGWQVHCBVYCNJO-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457353 231102116 /nfs/dbraw/zinc/10/21/16/231102116.db2.gz MGWQVHCBVYCNJO-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOCC23CCCCC3)c1 ZINC000451817931 231202873 /nfs/dbraw/zinc/20/28/73/231202873.db2.gz UQVIXPCJMWZJJD-CQSZACIVSA-N 1 1 324.381 1.187 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173254 185215848 /nfs/dbraw/zinc/21/58/48/185215848.db2.gz SUXVVMBZZPBTLA-SECBINFHSA-N 1 1 307.306 1.977 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263372 529481494 /nfs/dbraw/zinc/48/14/94/529481494.db2.gz YUTPSTXYJUQYIG-MGPQQGTHSA-N 1 1 324.377 1.427 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452126061 231312106 /nfs/dbraw/zinc/31/21/06/231312106.db2.gz TZIQTMRWBLGYAA-KBPBESRZSA-N 1 1 324.377 1.429 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252013752 282207967 /nfs/dbraw/zinc/20/79/67/282207967.db2.gz XXJNXROHGCNSKT-GDBMZVCRSA-N 1 1 324.377 1.571 20 5 DDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@@H+]1CCO ZINC000614829305 362041880 /nfs/dbraw/zinc/04/18/80/362041880.db2.gz QRITUZUXQRLGLE-UHFFFAOYSA-N 1 1 312.345 1.209 20 5 DDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1CCO ZINC000614829305 362041883 /nfs/dbraw/zinc/04/18/83/362041883.db2.gz QRITUZUXQRLGLE-UHFFFAOYSA-N 1 1 312.345 1.209 20 5 DDBDMO CS[C@@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090564467 185303917 /nfs/dbraw/zinc/30/39/17/185303917.db2.gz AUBHMNFJFBKWOJ-CYBMUJFWSA-N 1 1 311.407 1.974 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000181545889 199314376 /nfs/dbraw/zinc/31/43/76/199314376.db2.gz QQUHRFVBOZMCRQ-HNNXBMFYSA-N 1 1 316.361 1.735 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000181545889 199314377 /nfs/dbraw/zinc/31/43/77/199314377.db2.gz QQUHRFVBOZMCRQ-HNNXBMFYSA-N 1 1 316.361 1.735 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889534 232140473 /nfs/dbraw/zinc/14/04/73/232140473.db2.gz BJXQGIRQTPTWCZ-MFKMUULPSA-N 1 1 323.397 1.397 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582820 210000516 /nfs/dbraw/zinc/00/05/16/210000516.db2.gz UKZSLMFTBDSIEX-LLVKDONJSA-N 1 1 307.350 1.714 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582820 210000520 /nfs/dbraw/zinc/00/05/20/210000520.db2.gz UKZSLMFTBDSIEX-LLVKDONJSA-N 1 1 307.350 1.714 20 5 DDBDMO Cc1c(CNC(=O)NCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000358449186 299155438 /nfs/dbraw/zinc/15/54/38/299155438.db2.gz SOXUSZCMHTUYHT-UHFFFAOYSA-N 1 1 306.366 1.797 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC000133704045 186008635 /nfs/dbraw/zinc/00/86/35/186008635.db2.gz ORDNHJNRPJQWCJ-GWCFXTLKSA-N 1 1 319.365 1.009 20 5 DDBDMO CN(C)CC(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459544356 233298886 /nfs/dbraw/zinc/29/88/86/233298886.db2.gz DLJNXUJTODUXNK-UHFFFAOYSA-N 1 1 320.393 1.414 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000272463660 209869636 /nfs/dbraw/zinc/86/96/36/209869636.db2.gz OUJJYRCAUYOZJU-JTQLQIEISA-N 1 1 304.350 1.391 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159581520 186128749 /nfs/dbraw/zinc/12/87/49/186128749.db2.gz OOWAGRPRUYSLNB-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181885472 186215490 /nfs/dbraw/zinc/21/54/90/186215490.db2.gz HUSMQMGKFPYENC-UHFFFAOYSA-N 1 1 317.292 1.878 20 5 DDBDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983351 186562114 /nfs/dbraw/zinc/56/21/14/186562114.db2.gz GFNYMNOZRHTYML-ZANVPECISA-N 1 1 305.338 1.295 20 5 DDBDMO Cc1cc(OCC(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000020497316 352171110 /nfs/dbraw/zinc/17/11/10/352171110.db2.gz JJPVRGUDPZEEBA-UHFFFAOYSA-N 1 1 307.350 1.446 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000052071046 352599298 /nfs/dbraw/zinc/59/92/98/352599298.db2.gz GUIPMQLYMTZGHR-HIFRSBDPSA-N 1 1 324.377 1.693 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000067717779 353064524 /nfs/dbraw/zinc/06/45/24/353064524.db2.gz OOQWJZNQIKWZRT-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000067792355 353067551 /nfs/dbraw/zinc/06/75/51/353067551.db2.gz IJWJYRPJHXOLSZ-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000067795916 353067967 /nfs/dbraw/zinc/06/79/67/353067967.db2.gz NGZCCQJLIFHMAS-DZGCQCFKSA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358562893 299198496 /nfs/dbraw/zinc/19/84/96/299198496.db2.gz AJFOMDDOBZUNFW-SECBINFHSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358562893 299198500 /nfs/dbraw/zinc/19/85/00/299198500.db2.gz AJFOMDDOBZUNFW-SECBINFHSA-N 1 1 319.770 1.231 20 5 DDBDMO C[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000074099416 353291505 /nfs/dbraw/zinc/29/15/05/353291505.db2.gz BXVXZPYAQLGVKQ-GFCCVEGCSA-N 1 1 320.393 1.919 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCO)CC3)c2c1 ZINC000074401175 353311239 /nfs/dbraw/zinc/31/12/39/353311239.db2.gz ODFPBGOKARQAQA-UHFFFAOYSA-N 1 1 302.334 1.257 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000174473437 198338271 /nfs/dbraw/zinc/33/82/71/198338271.db2.gz CWGQFEKWTDUFDR-ZDUSSCGKSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617722404 363254283 /nfs/dbraw/zinc/25/42/83/363254283.db2.gz SLCXCTWOLYOSIY-CHWSQXEVSA-N 1 1 321.377 1.223 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000087191150 353747933 /nfs/dbraw/zinc/74/79/33/353747933.db2.gz CDHUZOQHUQWXIL-CYBMUJFWSA-N 1 1 303.362 1.880 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000091676988 353833738 /nfs/dbraw/zinc/83/37/38/353833738.db2.gz DQHFUNQBYVCOQC-VXGBXAGGSA-N 1 1 323.397 1.556 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000091676988 353833740 /nfs/dbraw/zinc/83/37/40/353833740.db2.gz DQHFUNQBYVCOQC-VXGBXAGGSA-N 1 1 323.397 1.556 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000124591907 354040219 /nfs/dbraw/zinc/04/02/19/354040219.db2.gz XETQCLXKWVIFPZ-UHFFFAOYSA-N 1 1 304.350 1.313 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000139638770 354130449 /nfs/dbraw/zinc/13/04/49/354130449.db2.gz CASWZTAWUYCYKL-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739521 354201035 /nfs/dbraw/zinc/20/10/35/354201035.db2.gz DYOOXXGQBNOPRR-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739521 354201039 /nfs/dbraw/zinc/20/10/39/354201039.db2.gz DYOOXXGQBNOPRR-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C1CC1 ZINC000305721031 354471231 /nfs/dbraw/zinc/47/12/31/354471231.db2.gz IIVOKQRTTSZROA-QMTHXVAHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305721031 354471233 /nfs/dbraw/zinc/47/12/33/354471233.db2.gz IIVOKQRTTSZROA-QMTHXVAHSA-N 1 1 307.350 1.625 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000405284043 354677942 /nfs/dbraw/zinc/67/79/42/354677942.db2.gz WWWBRVSAMQISCC-QWHCGFSZSA-N 1 1 311.769 1.499 20 5 DDBDMO Nc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587178312 354881878 /nfs/dbraw/zinc/88/18/78/354881878.db2.gz FEQANMCDGPPXJP-JTQLQIEISA-N 1 1 306.366 1.566 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861862 354944493 /nfs/dbraw/zinc/94/44/93/354944493.db2.gz VSYGJQZVQCHZQS-VXGBXAGGSA-N 1 1 323.324 1.015 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402428 355085536 /nfs/dbraw/zinc/08/55/36/355085536.db2.gz UCFTWWSWWZLAFS-HUUCEWRRSA-N 1 1 319.361 1.530 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000590537463 355109180 /nfs/dbraw/zinc/10/91/80/355109180.db2.gz JMHBBNQJBQUVED-WCQYABFASA-N 1 1 308.313 1.248 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000590445468 355098881 /nfs/dbraw/zinc/09/88/81/355098881.db2.gz MYSYZPLZJCWVOV-BMIGLBTASA-N 1 1 314.345 1.852 20 5 DDBDMO C[C@H]1COCCN1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332593736 235164721 /nfs/dbraw/zinc/16/47/21/235164721.db2.gz KDVLQYKCKWKIBC-LBPRGKRZSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@H]1COCCN1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332593736 235164723 /nfs/dbraw/zinc/16/47/23/235164723.db2.gz KDVLQYKCKWKIBC-LBPRGKRZSA-N 1 1 306.366 1.069 20 5 DDBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446777 355586976 /nfs/dbraw/zinc/58/69/76/355586976.db2.gz XCNPQBAADKEHJK-GJZGRUSLSA-N 1 1 320.393 1.829 20 5 DDBDMO C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000593448321 355887904 /nfs/dbraw/zinc/88/79/04/355887904.db2.gz QKGUPGHPFCHLQU-JTQLQIEISA-N 1 1 309.341 1.875 20 5 DDBDMO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000593468917 355895421 /nfs/dbraw/zinc/89/54/21/355895421.db2.gz GAEWDFKGGWTRBO-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594081518 356108425 /nfs/dbraw/zinc/10/84/25/356108425.db2.gz OFPMLORGBRPJLP-WCQYABFASA-N 1 1 319.365 1.550 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594059074 356103162 /nfs/dbraw/zinc/10/31/62/356103162.db2.gz PDXZNOHRVCFFSK-QWHCGFSZSA-N 1 1 320.349 1.186 20 5 DDBDMO CNc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000565197097 304051107 /nfs/dbraw/zinc/05/11/07/304051107.db2.gz WIHVKXMCWFEQGX-QWHCGFSZSA-N 1 1 318.377 1.945 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594419171 356204437 /nfs/dbraw/zinc/20/44/37/356204437.db2.gz OJMRLSQAHZWMIK-OLZOCXBDSA-N 1 1 318.377 1.924 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595741717 356631118 /nfs/dbraw/zinc/63/11/18/356631118.db2.gz DCMWJXGXHHLLFO-VXGBXAGGSA-N 1 1 321.377 1.790 20 5 DDBDMO CCOc1cc(C[NH+]2CCC(O)(CO)CC2)ccc1[N+](=O)[O-] ZINC000595734030 356627414 /nfs/dbraw/zinc/62/74/14/356627414.db2.gz SZBYTSFXCRGNHO-UHFFFAOYSA-N 1 1 310.350 1.313 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000595767432 356643626 /nfs/dbraw/zinc/64/36/26/356643626.db2.gz XHFZXNAVNZBIRN-GXFFZTMASA-N 1 1 308.334 1.727 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595771473 356645496 /nfs/dbraw/zinc/64/54/96/356645496.db2.gz PKEUKCPIBCBDEC-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595774553 356647405 /nfs/dbraw/zinc/64/74/05/356647405.db2.gz VEEXRDXNEYTKNT-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760622 356641924 /nfs/dbraw/zinc/64/19/24/356641924.db2.gz UWYPFBDHFMEFMV-BBRMVZONSA-N 1 1 320.345 1.930 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595849630 356676415 /nfs/dbraw/zinc/67/64/15/356676415.db2.gz UWAYOLXVSLALJJ-BJHJDKERSA-N 1 1 308.334 1.857 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872679 356686565 /nfs/dbraw/zinc/68/65/65/356686565.db2.gz KQFWZSHIPVPKLP-BLLLJJGKSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872679 356686571 /nfs/dbraw/zinc/68/65/71/356686571.db2.gz KQFWZSHIPVPKLP-BLLLJJGKSA-N 1 1 321.377 1.508 20 5 DDBDMO COCC[N@@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596073316 356762487 /nfs/dbraw/zinc/76/24/87/356762487.db2.gz IPYFTAIFWJOPER-UHFFFAOYSA-N 1 1 302.762 1.445 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596265786 356838055 /nfs/dbraw/zinc/83/80/55/356838055.db2.gz MGLZUYXMSHMAET-LBPRGKRZSA-N 1 1 306.366 1.613 20 5 DDBDMO Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596537185 356910146 /nfs/dbraw/zinc/91/01/46/356910146.db2.gz BYXHGLCNEMUJQK-CYBMUJFWSA-N 1 1 306.366 1.334 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596815462 356983622 /nfs/dbraw/zinc/98/36/22/356983622.db2.gz AJTQZUFRAYXIBV-NSHDSACASA-N 1 1 321.381 1.654 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000597603808 357250984 /nfs/dbraw/zinc/25/09/84/357250984.db2.gz DYOBGHRWLUHRIW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000597603808 357250987 /nfs/dbraw/zinc/25/09/87/357250987.db2.gz DYOBGHRWLUHRIW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000597603808 357250989 /nfs/dbraw/zinc/25/09/89/357250989.db2.gz DYOBGHRWLUHRIW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597945947 357394011 /nfs/dbraw/zinc/39/40/11/357394011.db2.gz KYAIOCCKIRDARM-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CCOc1cc(C[N@@H+](C)CCCC(=O)NC)ccc1[N+](=O)[O-] ZINC000276828309 213118882 /nfs/dbraw/zinc/11/88/82/213118882.db2.gz ANTIYZWDHIDDNJ-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598343145 357545536 /nfs/dbraw/zinc/54/55/36/357545536.db2.gz RHPZVGRGYKPJOM-SNVBAGLBSA-N 1 1 317.349 1.685 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598560407 357633162 /nfs/dbraw/zinc/63/31/62/357633162.db2.gz LDDMUVIXRVISLB-GFCCVEGCSA-N 1 1 321.381 1.478 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292364530 223025580 /nfs/dbraw/zinc/02/55/80/223025580.db2.gz WHDZNWWUSNGCOW-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO Cc1ccnc(N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599104706 357816759 /nfs/dbraw/zinc/81/67/59/357816759.db2.gz NFXMKICNOOVNSJ-UHFFFAOYSA-N 1 1 306.366 1.599 20 5 DDBDMO C[NH+]1CCN(CC2CN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000599109937 357818348 /nfs/dbraw/zinc/81/83/48/357818348.db2.gz YKWNXBBNMSTBJD-UHFFFAOYSA-N 1 1 308.357 1.418 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)cc1OC(F)F ZINC000599199649 357847315 /nfs/dbraw/zinc/84/73/15/357847315.db2.gz OKHXORDZWDOXKY-JTQLQIEISA-N 1 1 317.292 1.675 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000599200123 357847828 /nfs/dbraw/zinc/84/78/28/357847828.db2.gz XGBJSYLRPJWXDQ-VIFPVBQESA-N 1 1 320.271 1.487 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(C)COC1 ZINC000599571544 357979484 /nfs/dbraw/zinc/97/94/84/357979484.db2.gz KUVUUMXVSGAJKM-LLVKDONJSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286281618 291130800 /nfs/dbraw/zinc/13/08/00/291130800.db2.gz IBWNSJVEFAXPOF-AAEUAGOBSA-N 1 1 306.366 1.476 20 5 DDBDMO CC(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601098630 358401464 /nfs/dbraw/zinc/40/14/64/358401464.db2.gz BJYQCENNKUMQKJ-UHFFFAOYSA-N 1 1 300.318 1.812 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181151804 199257574 /nfs/dbraw/zinc/25/75/74/199257574.db2.gz KJFQPMGMTFAQBS-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](CO)C1 ZINC000601979257 358763681 /nfs/dbraw/zinc/76/36/81/358763681.db2.gz BTZODQJXCPWCPW-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](CO)C1 ZINC000601979257 358763684 /nfs/dbraw/zinc/76/36/84/358763684.db2.gz BTZODQJXCPWCPW-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO CCOC(=O)CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602442014 358978917 /nfs/dbraw/zinc/97/89/17/358978917.db2.gz IOYLZAXQQUVMTP-UHFFFAOYSA-N 1 1 310.354 1.494 20 5 DDBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453996 358987531 /nfs/dbraw/zinc/98/75/31/358987531.db2.gz LTYGUHTXYCDPPR-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000602784241 359188783 /nfs/dbraw/zinc/18/87/83/359188783.db2.gz RHYUXCCVFNBEGB-HNNXBMFYSA-N 1 1 321.425 1.763 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602931251 359300970 /nfs/dbraw/zinc/30/09/70/359300970.db2.gz NTBRUIXSNRDESD-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602931251 359300973 /nfs/dbraw/zinc/30/09/73/359300973.db2.gz NTBRUIXSNRDESD-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000186901315 200028303 /nfs/dbraw/zinc/02/83/03/200028303.db2.gz BTBJVIYSMFFKAZ-JTQLQIEISA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000186901315 200028304 /nfs/dbraw/zinc/02/83/04/200028304.db2.gz BTBJVIYSMFFKAZ-JTQLQIEISA-N 1 1 311.338 1.105 20 5 DDBDMO CO[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189318114 200381093 /nfs/dbraw/zinc/38/10/93/200381093.db2.gz UBUONCFZSBKOJG-INWMFGNUSA-N 1 1 324.377 1.691 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610910068 360570382 /nfs/dbraw/zinc/57/03/82/360570382.db2.gz NJHXJLHTICBRFG-GFCCVEGCSA-N 1 1 309.341 1.640 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611256835 360680817 /nfs/dbraw/zinc/68/08/17/360680817.db2.gz JCSZOHFHATYCQE-QWRGUYRKSA-N 1 1 306.366 1.483 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000611296529 360692991 /nfs/dbraw/zinc/69/29/91/360692991.db2.gz OBTRIUBXJWHWSQ-HNNXBMFYSA-N 1 1 320.393 1.989 20 5 DDBDMO O=C1N[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]2CO1 ZINC000281306442 216227044 /nfs/dbraw/zinc/22/70/44/216227044.db2.gz QADWBLCTZYNVIM-MFKMUULPSA-N 1 1 309.297 1.664 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]2CO1 ZINC000281306442 216227045 /nfs/dbraw/zinc/22/70/45/216227045.db2.gz QADWBLCTZYNVIM-MFKMUULPSA-N 1 1 309.297 1.664 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193359076 201037304 /nfs/dbraw/zinc/03/73/04/201037304.db2.gz ZYLHPDUEVNGNPL-LLVKDONJSA-N 1 1 322.365 1.690 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000613233718 361340515 /nfs/dbraw/zinc/34/05/15/361340515.db2.gz XIWSRVOAGLCZLN-LBPRGKRZSA-N 1 1 318.377 1.851 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193651105 201096363 /nfs/dbraw/zinc/09/63/63/201096363.db2.gz IWAZEAFHFGTYAG-LLVKDONJSA-N 1 1 322.365 1.499 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619254977 363946537 /nfs/dbraw/zinc/94/65/37/363946537.db2.gz ROJGCUDFHWSZFV-HIFRSBDPSA-N 1 1 321.352 1.782 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275347805 212283977 /nfs/dbraw/zinc/28/39/77/212283977.db2.gz JAPOOYRZSSNTPK-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275347805 212283979 /nfs/dbraw/zinc/28/39/79/212283979.db2.gz JAPOOYRZSSNTPK-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293131635 223410487 /nfs/dbraw/zinc/41/04/87/223410487.db2.gz MXEYIXUNUVRPPJ-LBPRGKRZSA-N 1 1 310.350 1.829 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000349969037 284122658 /nfs/dbraw/zinc/12/26/58/284122658.db2.gz FHCVEWHCCYGBSE-UHFFFAOYSA-N 1 1 321.381 1.823 20 5 DDBDMO Cc1n[nH]cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534887 193266656 /nfs/dbraw/zinc/26/66/56/193266656.db2.gz BWRWCAWEZPUBBM-GFCCVEGCSA-N 1 1 302.338 1.708 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000264595003 204016928 /nfs/dbraw/zinc/01/69/28/204016928.db2.gz AYWYXVQJSNDVTL-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266480783 205376907 /nfs/dbraw/zinc/37/69/07/205376907.db2.gz SWXUSVXOTYHJJO-HNNXBMFYSA-N 1 1 304.350 1.593 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266504457 205395092 /nfs/dbraw/zinc/39/50/92/205395092.db2.gz AGTQWGMXVJIRTA-INIZCTEOSA-N 1 1 316.361 1.251 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000267465605 206087490 /nfs/dbraw/zinc/08/74/90/206087490.db2.gz RVBYTOZUBMSKCM-NSHDSACASA-N 1 1 318.337 1.436 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267599238 206164796 /nfs/dbraw/zinc/16/47/96/206164796.db2.gz JBFABSXIDMFDPH-YPMHNXCESA-N 1 1 320.393 1.731 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261732114 296228066 /nfs/dbraw/zinc/22/80/66/296228066.db2.gz MAIBBBLIJBJANC-NSHDSACASA-N 1 1 318.358 1.838 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408554 218014949 /nfs/dbraw/zinc/01/49/49/218014949.db2.gz NUHFCYSEFFQDDC-ISVAXAHUSA-N 1 1 322.340 1.529 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000104672917 194024427 /nfs/dbraw/zinc/02/44/27/194024427.db2.gz KAJADZKRLDYALD-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000104672917 194024429 /nfs/dbraw/zinc/02/44/29/194024429.db2.gz KAJADZKRLDYALD-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO Cc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000104897064 194051308 /nfs/dbraw/zinc/05/13/08/194051308.db2.gz MJFPIJRNQITTNS-JTQLQIEISA-N 1 1 306.366 1.698 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H]3OCCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000284699811 218139220 /nfs/dbraw/zinc/13/92/20/218139220.db2.gz IJXQQJVAFCZVEJ-JKSUJKDBSA-N 1 1 305.378 1.808 20 5 DDBDMO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000105825380 194138680 /nfs/dbraw/zinc/13/86/80/194138680.db2.gz CQQJVZJJQAKOOM-UKRRQHHQSA-N 1 1 307.394 1.872 20 5 DDBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285077626 218282252 /nfs/dbraw/zinc/28/22/52/218282252.db2.gz RUCPQXRSHYCBEH-NSHDSACASA-N 1 1 319.321 1.478 20 5 DDBDMO O=C1CCC(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000298036625 284784778 /nfs/dbraw/zinc/78/47/78/284784778.db2.gz GTTIEKZQJKFSTC-UHFFFAOYSA-N 1 1 318.377 1.871 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000110007025 194303073 /nfs/dbraw/zinc/30/30/73/194303073.db2.gz KRQTYFVJTXQOKC-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000066126254 184391013 /nfs/dbraw/zinc/39/10/13/184391013.db2.gz FBXBEWGKCADHAP-JTQLQIEISA-N 1 1 319.365 1.931 20 5 DDBDMO CC[C@H](C)[N@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000066126254 184391014 /nfs/dbraw/zinc/39/10/14/184391014.db2.gz FBXBEWGKCADHAP-JTQLQIEISA-N 1 1 319.365 1.931 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000066126254 184391015 /nfs/dbraw/zinc/39/10/15/184391015.db2.gz FBXBEWGKCADHAP-JTQLQIEISA-N 1 1 319.365 1.931 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157305927 197177929 /nfs/dbraw/zinc/17/79/29/197177929.db2.gz SCUBNYFGNCYQMZ-OCCSQVGLSA-N 1 1 321.381 1.124 20 5 DDBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000154925132 197006104 /nfs/dbraw/zinc/00/61/04/197006104.db2.gz IYGCODNEPSMXDP-LLVKDONJSA-N 1 1 323.397 1.948 20 5 DDBDMO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000154925132 197006106 /nfs/dbraw/zinc/00/61/06/197006106.db2.gz IYGCODNEPSMXDP-LLVKDONJSA-N 1 1 323.397 1.948 20 5 DDBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000154925132 197006108 /nfs/dbraw/zinc/00/61/08/197006108.db2.gz IYGCODNEPSMXDP-LLVKDONJSA-N 1 1 323.397 1.948 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)COC(C)C ZINC000433153526 533218898 /nfs/dbraw/zinc/21/88/98/533218898.db2.gz PTGLRJZLOFYCMI-CQSZACIVSA-N 1 1 312.366 1.821 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000433153526 533218901 /nfs/dbraw/zinc/21/89/01/533218901.db2.gz PTGLRJZLOFYCMI-CQSZACIVSA-N 1 1 312.366 1.821 20 5 DDBDMO C[C@H](O)CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520546 285781773 /nfs/dbraw/zinc/78/17/73/285781773.db2.gz PMLJMNZEVFRHLV-FZMZJTMJSA-N 1 1 304.350 1.778 20 5 DDBDMO [NH3+]CC(F)(F)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000568995631 304328184 /nfs/dbraw/zinc/32/81/84/304328184.db2.gz KLLWOBQYVPXKGY-UHFFFAOYSA-N 1 1 302.281 1.107 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069144136 406687138 /nfs/dbraw/zinc/68/71/38/406687138.db2.gz MYWPHWZTMVBVMX-LLVKDONJSA-N 1 1 314.363 1.270 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000076299734 406962207 /nfs/dbraw/zinc/96/22/07/406962207.db2.gz JACNUHYUQQGZNZ-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000076299734 406962208 /nfs/dbraw/zinc/96/22/08/406962208.db2.gz JACNUHYUQQGZNZ-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000090554574 407169441 /nfs/dbraw/zinc/16/94/41/407169441.db2.gz RXXQAWZWGBXOIU-CFVMTHIKSA-N 1 1 321.377 1.502 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000091084463 407177032 /nfs/dbraw/zinc/17/70/32/407177032.db2.gz VCJYBEOWWHEHPF-UHFFFAOYSA-N 1 1 303.313 1.064 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000091084463 407177035 /nfs/dbraw/zinc/17/70/35/407177035.db2.gz VCJYBEOWWHEHPF-UHFFFAOYSA-N 1 1 303.313 1.064 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124662939 407365503 /nfs/dbraw/zinc/36/55/03/407365503.db2.gz XMXOZHUNTUXIOZ-PHIMTYICSA-N 1 1 311.363 1.110 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000108566545 407388334 /nfs/dbraw/zinc/38/83/34/407388334.db2.gz WZPLDULUABCJAH-CYBMUJFWSA-N 1 1 306.366 1.736 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111265911 407403745 /nfs/dbraw/zinc/40/37/45/407403745.db2.gz IMYRYRYBWOLBGF-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO C[NH+]1CCN([C@H]2CCCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000127027289 407425961 /nfs/dbraw/zinc/42/59/61/407425961.db2.gz FXPCDCBJBWTJIZ-HNNXBMFYSA-N 1 1 319.409 1.596 20 5 DDBDMO COc1cc(C[NH+]2CCC(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000127067174 407427571 /nfs/dbraw/zinc/42/75/71/407427571.db2.gz BDONJWOEUIBSMR-UHFFFAOYSA-N 1 1 310.350 1.816 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178632991 407519296 /nfs/dbraw/zinc/51/92/96/407519296.db2.gz OTVMHRMIFUDWKR-CHWSQXEVSA-N 1 1 318.377 1.702 20 5 DDBDMO CCN1CC[NH+]([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)CC1 ZINC000266849205 407654165 /nfs/dbraw/zinc/65/41/65/407654165.db2.gz QLNZZVLQAASNNO-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261984791 407702259 /nfs/dbraw/zinc/70/22/59/407702259.db2.gz AVGVVOVSORCOSH-XJKSGUPXSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261984791 407702263 /nfs/dbraw/zinc/70/22/63/407702263.db2.gz AVGVVOVSORCOSH-XJKSGUPXSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187280438 407840644 /nfs/dbraw/zinc/84/06/44/407840644.db2.gz ZUZLXQKUEMCSLT-WXJAXGNASA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187280438 407840645 /nfs/dbraw/zinc/84/06/45/407840645.db2.gz ZUZLXQKUEMCSLT-WXJAXGNASA-N 1 1 319.361 1.133 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550734 407857534 /nfs/dbraw/zinc/85/75/34/407857534.db2.gz YXRJVUHWJAOUHU-CMPLNLGQSA-N 1 1 318.377 1.992 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000173715084 407895373 /nfs/dbraw/zinc/89/53/73/407895373.db2.gz KNMYGBMURUTIJY-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272493326 407946358 /nfs/dbraw/zinc/94/63/58/407946358.db2.gz CPQSZZCAQHMBKT-YGRLFVJLSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272493326 407946363 /nfs/dbraw/zinc/94/63/63/407946363.db2.gz CPQSZZCAQHMBKT-YGRLFVJLSA-N 1 1 305.334 1.467 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272506525 407953857 /nfs/dbraw/zinc/95/38/57/407953857.db2.gz JHLUUSGATXIKIQ-PWSUYJOCSA-N 1 1 307.350 1.855 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506525 407953860 /nfs/dbraw/zinc/95/38/60/407953860.db2.gz JHLUUSGATXIKIQ-PWSUYJOCSA-N 1 1 307.350 1.855 20 5 DDBDMO O=C(C[N@@H+](CCCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000118844251 407955124 /nfs/dbraw/zinc/95/51/24/407955124.db2.gz SZEAHMWWLRNWEW-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(C[N@H+](CCCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000118844251 407955128 /nfs/dbraw/zinc/95/51/28/407955128.db2.gz SZEAHMWWLRNWEW-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245433118 407977716 /nfs/dbraw/zinc/97/77/16/407977716.db2.gz BROSCZJIYGSURI-NWDGAFQWSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245433118 407977725 /nfs/dbraw/zinc/97/77/25/407977725.db2.gz BROSCZJIYGSURI-NWDGAFQWSA-N 1 1 321.381 1.391 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134624426 407918168 /nfs/dbraw/zinc/91/81/68/407918168.db2.gz OVTZDWVUJZGSED-ZDUSSCGKSA-N 1 1 316.361 1.829 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCO)CC1 ZINC000175062925 408042306 /nfs/dbraw/zinc/04/23/06/408042306.db2.gz NMOSAGBBSUJWKY-UHFFFAOYSA-N 1 1 309.366 1.103 20 5 DDBDMO CC[C@@]1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000135700829 408049438 /nfs/dbraw/zinc/04/94/38/408049438.db2.gz WGWXTUYPBZTOOJ-BBRMVZONSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000135700829 408049444 /nfs/dbraw/zinc/04/94/44/408049444.db2.gz WGWXTUYPBZTOOJ-BBRMVZONSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272577426 407991642 /nfs/dbraw/zinc/99/16/42/407991642.db2.gz GJQORMICQLVFOZ-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000182256751 408107292 /nfs/dbraw/zinc/10/72/92/408107292.db2.gz NZUIBEWWRDPCIU-IPYPFGDCSA-N 1 1 324.377 1.427 20 5 DDBDMO COc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155075873 408123225 /nfs/dbraw/zinc/12/32/25/408123225.db2.gz QEYZWTYELLIKIS-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000190201352 408188495 /nfs/dbraw/zinc/18/84/95/408188495.db2.gz GKUMNAZMSCZYPM-JTQLQIEISA-N 1 1 304.350 1.391 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000269322688 408268984 /nfs/dbraw/zinc/26/89/84/408268984.db2.gz BTBHBPLJDJFSNT-VIFPVBQESA-N 1 1 309.370 1.654 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273674896 408285493 /nfs/dbraw/zinc/28/54/93/408285493.db2.gz YDVNYZKTOZYGDU-LLVKDONJSA-N 1 1 313.379 1.167 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246556327 408290399 /nfs/dbraw/zinc/29/03/99/408290399.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 1 1 319.409 1.740 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000134708993 162085266 /nfs/dbraw/zinc/08/52/66/162085266.db2.gz IZMWMRJFHTVUOP-ZDUSSCGKSA-N 1 1 307.398 1.740 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000158946623 408370987 /nfs/dbraw/zinc/37/09/87/408370987.db2.gz VFXVVWUATPWWTL-GFCCVEGCSA-N 1 1 317.349 1.221 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000274660454 408486163 /nfs/dbraw/zinc/48/61/63/408486163.db2.gz YSMGRNGSUQXUFB-GHMZBOCLSA-N 1 1 306.366 1.732 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177213530 408552752 /nfs/dbraw/zinc/55/27/52/408552752.db2.gz CNXGJJXMYGKGBZ-JQWIXIFHSA-N 1 1 321.381 1.231 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000274943389 408572348 /nfs/dbraw/zinc/57/23/48/408572348.db2.gz FTNHLXGXWPGXAB-UHFFFAOYSA-N 1 1 316.317 1.115 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248674784 408614102 /nfs/dbraw/zinc/61/41/02/408614102.db2.gz CMFKGAQTQTZNQR-OAHLLOKOSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000248674784 408614107 /nfs/dbraw/zinc/61/41/07/408614107.db2.gz CMFKGAQTQTZNQR-OAHLLOKOSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000248674784 408614113 /nfs/dbraw/zinc/61/41/13/408614113.db2.gz CMFKGAQTQTZNQR-OAHLLOKOSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270858192 408712011 /nfs/dbraw/zinc/71/20/11/408712011.db2.gz HTSLTFKLXPPEAY-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270858192 408712015 /nfs/dbraw/zinc/71/20/15/408712015.db2.gz HTSLTFKLXPPEAY-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177789115 408713691 /nfs/dbraw/zinc/71/36/91/408713691.db2.gz LTXOLJLUKDMAAT-HUUCEWRRSA-N 1 1 321.377 1.883 20 5 DDBDMO CC[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177789115 408713696 /nfs/dbraw/zinc/71/36/96/408713696.db2.gz LTXOLJLUKDMAAT-HUUCEWRRSA-N 1 1 321.377 1.883 20 5 DDBDMO CO[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251697201 408785501 /nfs/dbraw/zinc/78/55/01/408785501.db2.gz JTFVLQOWJJIDGS-IUODEOHRSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251697201 408785504 /nfs/dbraw/zinc/78/55/04/408785504.db2.gz JTFVLQOWJJIDGS-IUODEOHRSA-N 1 1 321.377 1.914 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001139 408755111 /nfs/dbraw/zinc/75/51/11/408755111.db2.gz BQXDVDZVXPOLJA-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001139 408755115 /nfs/dbraw/zinc/75/51/15/408755115.db2.gz BQXDVDZVXPOLJA-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001139 408755117 /nfs/dbraw/zinc/75/51/17/408755117.db2.gz BQXDVDZVXPOLJA-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276510832 408872592 /nfs/dbraw/zinc/87/25/92/408872592.db2.gz DTXNBLDIJCIQQA-NSHDSACASA-N 1 1 308.338 1.673 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194747249 163295880 /nfs/dbraw/zinc/29/58/80/163295880.db2.gz DXWIZJDRNLQLCR-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291992230 408957663 /nfs/dbraw/zinc/95/76/63/408957663.db2.gz WXKLQIDYYJDNME-KBPBESRZSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000286392599 408976645 /nfs/dbraw/zinc/97/66/45/408976645.db2.gz HAZWBTDMWYBFJD-GFCCVEGCSA-N 1 1 321.377 1.987 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277929622 409035826 /nfs/dbraw/zinc/03/58/26/409035826.db2.gz UEXBVVYLMBBCLP-SNVBAGLBSA-N 1 1 305.338 1.604 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277926126 409036443 /nfs/dbraw/zinc/03/64/43/409036443.db2.gz HJITYOKZFJMPDL-LBPRGKRZSA-N 1 1 307.350 1.354 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000293540480 409134308 /nfs/dbraw/zinc/13/43/08/409134308.db2.gz XYVYYICFYUNISA-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000287723355 409082323 /nfs/dbraw/zinc/08/23/23/409082323.db2.gz FKUQSNPAWRNZQE-VHSXEESVSA-N 1 1 320.349 1.814 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000283207998 409111511 /nfs/dbraw/zinc/11/15/11/409111511.db2.gz RIWFPPZWBAYPBM-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000293861858 409195990 /nfs/dbraw/zinc/19/59/90/409195990.db2.gz KQOLGHFJYFBELY-HNNXBMFYSA-N 1 1 304.350 1.345 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486159 409224323 /nfs/dbraw/zinc/22/43/23/409224323.db2.gz RENRAPWRKUQVIZ-TVQRCGJNSA-N 1 1 324.356 1.728 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293919228 409206861 /nfs/dbraw/zinc/20/68/61/409206861.db2.gz PFPIDGCDDYQZME-MRXNPFEDSA-N 1 1 318.377 1.561 20 5 DDBDMO CN1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000280260655 409280873 /nfs/dbraw/zinc/28/08/73/409280873.db2.gz CCDDMILFZBTARL-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422424 409309657 /nfs/dbraw/zinc/30/96/57/409309657.db2.gz LYDYQVQSSKOKNT-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422424 409309658 /nfs/dbraw/zinc/30/96/58/409309658.db2.gz LYDYQVQSSKOKNT-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000290225738 409326984 /nfs/dbraw/zinc/32/69/84/409326984.db2.gz VMOHSKNMDWWIFJ-UHFFFAOYSA-N 1 1 322.409 1.137 20 5 DDBDMO CN(CCCNC(=O)Cc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000290225738 409326991 /nfs/dbraw/zinc/32/69/91/409326991.db2.gz VMOHSKNMDWWIFJ-UHFFFAOYSA-N 1 1 322.409 1.137 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295210655 409378183 /nfs/dbraw/zinc/37/81/83/409378183.db2.gz LMGYJRCGKBGZQI-LQYUOIDQSA-N 1 1 307.325 1.768 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198842 164026053 /nfs/dbraw/zinc/02/60/53/164026053.db2.gz NMIWHHPMHQMUFW-WDMOLILDSA-N 1 1 305.334 1.236 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198842 164026057 /nfs/dbraw/zinc/02/60/57/164026057.db2.gz NMIWHHPMHQMUFW-WDMOLILDSA-N 1 1 305.334 1.236 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000319808622 164038726 /nfs/dbraw/zinc/03/87/26/164038726.db2.gz ZGKWMCHXTPVKBW-JTQLQIEISA-N 1 1 310.354 1.917 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000322339199 164047059 /nfs/dbraw/zinc/04/70/59/164047059.db2.gz BPZNZCQJDOXCJM-WDEREUQCSA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1cn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000362330340 164156437 /nfs/dbraw/zinc/15/64/37/164156437.db2.gz PSJLOTRDHNHEIG-OAHLLOKOSA-N 1 1 316.361 1.519 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000407999006 164193343 /nfs/dbraw/zinc/19/33/43/164193343.db2.gz SORWLXFFJBWCFM-LSDHHAIUSA-N 1 1 307.350 1.205 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000407999006 164193348 /nfs/dbraw/zinc/19/33/48/164193348.db2.gz SORWLXFFJBWCFM-LSDHHAIUSA-N 1 1 307.350 1.205 20 5 DDBDMO CC[N@H+]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971317 409555437 /nfs/dbraw/zinc/55/54/37/409555437.db2.gz DITLNKOXAYNELE-HNNXBMFYSA-N 1 1 323.393 1.362 20 5 DDBDMO CCN1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971317 409555445 /nfs/dbraw/zinc/55/54/45/409555445.db2.gz DITLNKOXAYNELE-HNNXBMFYSA-N 1 1 323.393 1.362 20 5 DDBDMO CCN1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000303971317 409555455 /nfs/dbraw/zinc/55/54/55/409555455.db2.gz DITLNKOXAYNELE-HNNXBMFYSA-N 1 1 323.393 1.362 20 5 DDBDMO C[N@H+](Cc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290950 409597732 /nfs/dbraw/zinc/59/77/32/409597732.db2.gz GNVBVCABYHPNED-AWEZNQCLSA-N 1 1 308.313 1.423 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348946812 409601425 /nfs/dbraw/zinc/60/14/25/409601425.db2.gz HLNCJNFAGKKWQM-CABCVRRESA-N 1 1 324.381 1.043 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346057074 409742129 /nfs/dbraw/zinc/74/21/29/409742129.db2.gz UJAWROYQPHOHLL-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000357170829 409918560 /nfs/dbraw/zinc/91/85/60/409918560.db2.gz LVSIYPWRGBOAMY-JTQLQIEISA-N 1 1 323.349 1.388 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000357170829 409918567 /nfs/dbraw/zinc/91/85/67/409918567.db2.gz LVSIYPWRGBOAMY-JTQLQIEISA-N 1 1 323.349 1.388 20 5 DDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000354622322 409973577 /nfs/dbraw/zinc/97/35/77/409973577.db2.gz KNHMSTOEAOPIPJ-UHFFFAOYSA-N 1 1 317.392 1.197 20 5 DDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332215409 409982851 /nfs/dbraw/zinc/98/28/51/409982851.db2.gz WPRQSTJYAHDYLW-AMIZOPFISA-N 1 1 303.322 1.085 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332228479 409995728 /nfs/dbraw/zinc/99/57/28/409995728.db2.gz LIEXJGVTLDXTAY-QWRGUYRKSA-N 1 1 303.366 1.996 20 5 DDBDMO C[N@H+]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298072228 410102327 /nfs/dbraw/zinc/10/23/27/410102327.db2.gz CRBOYSLTIYOAHH-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CN1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298072228 410102331 /nfs/dbraw/zinc/10/23/31/410102331.db2.gz CRBOYSLTIYOAHH-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CN1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298072228 410102335 /nfs/dbraw/zinc/10/23/35/410102335.db2.gz CRBOYSLTIYOAHH-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO Nc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000298746872 410379185 /nfs/dbraw/zinc/37/91/85/410379185.db2.gz UXLCKKDRVNBIOG-GFCCVEGCSA-N 1 1 314.349 1.653 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c[nH+]ccc1-n1cccn1 ZINC000358621627 410497175 /nfs/dbraw/zinc/49/71/75/410497175.db2.gz YGZJOZYWSYNHSE-UHFFFAOYSA-N 1 1 313.277 1.011 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330436399 410689979 /nfs/dbraw/zinc/68/99/79/410689979.db2.gz MMIPFIFGOJRHSM-LLVKDONJSA-N 1 1 309.370 1.127 20 5 DDBDMO COCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000337270155 410683741 /nfs/dbraw/zinc/68/37/41/410683741.db2.gz ZMDUVYLSRLJZDA-UHFFFAOYSA-N 1 1 308.313 1.867 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)O1 ZINC000330535287 410756969 /nfs/dbraw/zinc/75/69/69/410756969.db2.gz JDLRAVUEVMZUJK-TXEJJXNPSA-N 1 1 324.381 1.162 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343914970 410803202 /nfs/dbraw/zinc/80/32/02/410803202.db2.gz WJUIARQZKPMYLV-IUODEOHRSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344032850 410908775 /nfs/dbraw/zinc/90/87/75/410908775.db2.gz DXYADTZBPRABOV-PKIAMQTDSA-N 1 1 319.361 1.625 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncccn2)n1 ZINC000580661002 422947194 /nfs/dbraw/zinc/94/71/94/422947194.db2.gz ZPSQVWMXBWWMEI-NWDGAFQWSA-N 1 1 302.338 1.855 20 5 DDBDMO C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295615548 225051255 /nfs/dbraw/zinc/05/12/55/225051255.db2.gz DOCQAEIIZUNIJZ-JTQLQIEISA-N 1 1 311.313 1.783 20 5 DDBDMO C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295615548 225051258 /nfs/dbraw/zinc/05/12/58/225051258.db2.gz DOCQAEIIZUNIJZ-JTQLQIEISA-N 1 1 311.313 1.783 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCn3c[nH+]cc3C2)n1 ZINC000350889819 306758796 /nfs/dbraw/zinc/75/87/96/306758796.db2.gz NWAQTLGKKJPFBK-QMMMGPOBSA-N 1 1 315.293 1.305 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367164090 418565047 /nfs/dbraw/zinc/56/50/47/418565047.db2.gz GJZUVZLCBUOWFK-UHFFFAOYSA-N 1 1 308.382 1.460 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262701 418614447 /nfs/dbraw/zinc/61/44/47/418614447.db2.gz OOIHAIMKVUPMRK-CABZTGNLSA-N 1 1 303.322 1.629 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368230637 418707445 /nfs/dbraw/zinc/70/74/45/418707445.db2.gz DYQZQBXUCHKQSW-JSGCOSHPSA-N 1 1 319.361 1.561 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583378 418685857 /nfs/dbraw/zinc/68/58/57/418685857.db2.gz LMAOJIYEEQJBBP-IINYFYTJSA-N 1 1 320.349 1.443 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583378 418685860 /nfs/dbraw/zinc/68/58/60/418685860.db2.gz LMAOJIYEEQJBBP-IINYFYTJSA-N 1 1 320.349 1.443 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588129 418687138 /nfs/dbraw/zinc/68/71/38/418687138.db2.gz XQZHCFNGGAAHAH-XJKSGUPXSA-N 1 1 324.377 1.835 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924585 418822567 /nfs/dbraw/zinc/82/25/67/418822567.db2.gz AXJYWWQSPNTYKW-QEJZJMRPSA-N 1 1 303.362 1.723 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000372483321 418875905 /nfs/dbraw/zinc/87/59/05/418875905.db2.gz UIJHTGYPADMOLL-CQSZACIVSA-N 1 1 317.349 1.902 20 5 DDBDMO CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411292470 418889507 /nfs/dbraw/zinc/88/95/07/418889507.db2.gz MRLRRCDBKMBNRK-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411292470 418889509 /nfs/dbraw/zinc/88/95/09/418889509.db2.gz MRLRRCDBKMBNRK-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840595 418907418 /nfs/dbraw/zinc/90/74/18/418907418.db2.gz VWHYNTQPSQAING-YUTCNCBUSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840595 418907420 /nfs/dbraw/zinc/90/74/20/418907420.db2.gz VWHYNTQPSQAING-YUTCNCBUSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840595 418907422 /nfs/dbraw/zinc/90/74/22/418907422.db2.gz VWHYNTQPSQAING-YUTCNCBUSA-N 1 1 307.394 1.375 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000421016429 419452802 /nfs/dbraw/zinc/45/28/02/419452802.db2.gz JDSXRFSFFZGQGX-HNNXBMFYSA-N 1 1 305.334 1.788 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000429021286 419963674 /nfs/dbraw/zinc/96/36/74/419963674.db2.gz PSNWQGQYJUZGEN-INIZCTEOSA-N 1 1 315.377 1.999 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354616990 306780251 /nfs/dbraw/zinc/78/02/51/306780251.db2.gz WHRLLDXQHIETOP-ZDUSSCGKSA-N 1 1 307.350 1.132 20 5 DDBDMO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430928492 420210359 /nfs/dbraw/zinc/21/03/59/420210359.db2.gz UFNYFSBWXSMQLC-CYBMUJFWSA-N 1 1 320.393 1.773 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH3+])CC1 ZINC000430662791 420173401 /nfs/dbraw/zinc/17/34/01/420173401.db2.gz JACXDHQTZWHLAY-UHFFFAOYSA-N 1 1 306.366 1.655 20 5 DDBDMO CCOC(=O)c1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450774689 420527374 /nfs/dbraw/zinc/52/73/74/420527374.db2.gz DKZWJMAVTQVMSS-XHDPSFHLSA-N 1 1 319.361 1.912 20 5 DDBDMO CC(C)c1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000439715098 420532933 /nfs/dbraw/zinc/53/29/33/420532933.db2.gz DDFKINXTFFLAEJ-INIZCTEOSA-N 1 1 321.377 1.515 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000452982816 420695192 /nfs/dbraw/zinc/69/51/92/420695192.db2.gz BBQPOTZJWNHTBS-IINYFYTJSA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000493134899 420764617 /nfs/dbraw/zinc/76/46/17/420764617.db2.gz WAAYCDOUBMNUSO-WHIKILRWSA-N 1 1 301.346 1.771 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447911293 420816939 /nfs/dbraw/zinc/81/69/39/420816939.db2.gz ZMWAQJXWMDWBER-YPMHNXCESA-N 1 1 300.742 1.878 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454376810 420849891 /nfs/dbraw/zinc/84/98/91/420849891.db2.gz SVXJJVSKXZDPLH-SNVBAGLBSA-N 1 1 307.354 1.246 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000493442112 420851759 /nfs/dbraw/zinc/85/17/59/420851759.db2.gz JANCTOQYPNFLPO-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000493442112 420851761 /nfs/dbraw/zinc/85/17/61/420851761.db2.gz JANCTOQYPNFLPO-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000455996166 421085950 /nfs/dbraw/zinc/08/59/50/421085950.db2.gz OZMSABPLEXPVTN-GWCFXTLKSA-N 1 1 319.365 1.198 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000456371176 421153392 /nfs/dbraw/zinc/15/33/92/421153392.db2.gz GUASNUDPDQILOS-JTQLQIEISA-N 1 1 307.354 1.128 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000456371176 421153397 /nfs/dbraw/zinc/15/33/97/421153397.db2.gz GUASNUDPDQILOS-JTQLQIEISA-N 1 1 307.354 1.128 20 5 DDBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000450202927 421162682 /nfs/dbraw/zinc/16/26/82/421162682.db2.gz PWJBBLPUXZUVLK-UHFFFAOYSA-N 1 1 305.334 1.380 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524720578 421268233 /nfs/dbraw/zinc/26/82/33/421268233.db2.gz YRCCZXZAQNUHRW-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524790868 421272300 /nfs/dbraw/zinc/27/23/00/421272300.db2.gz WRLFAJGOGRHBOQ-NSHDSACASA-N 1 1 313.379 1.215 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000546103351 421284105 /nfs/dbraw/zinc/28/41/05/421284105.db2.gz OIKBKMZESPWIAQ-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000546103351 421284108 /nfs/dbraw/zinc/28/41/08/421284108.db2.gz OIKBKMZESPWIAQ-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386067 421431040 /nfs/dbraw/zinc/43/10/40/421431040.db2.gz YGYPHONTTFSNJH-MNOVXSKESA-N 1 1 321.381 1.422 20 5 DDBDMO C[N@@H+](C[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000515017675 421473366 /nfs/dbraw/zinc/47/33/66/421473366.db2.gz CUIHFXCNWDGCTE-CQSZACIVSA-N 1 1 305.378 1.408 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000563990553 421563895 /nfs/dbraw/zinc/56/38/95/421563895.db2.gz XDJZLNDGHCTLJG-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571541937 421725825 /nfs/dbraw/zinc/72/58/25/421725825.db2.gz BOJZXXUGUOASSU-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](C2CC2)C1 ZINC000575873025 422341928 /nfs/dbraw/zinc/34/19/28/422341928.db2.gz PJNPGKWQCVAWOG-NSHDSACASA-N 1 1 316.365 1.558 20 5 DDBDMO Cc1nc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591805 422351357 /nfs/dbraw/zinc/35/13/57/422351357.db2.gz LGTFJSZVWXHBHU-UTUOFQBUSA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1nc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591805 422351358 /nfs/dbraw/zinc/35/13/58/422351358.db2.gz LGTFJSZVWXHBHU-UTUOFQBUSA-N 1 1 308.382 2.208 20 5 DDBDMO CNc1nccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923239 422392159 /nfs/dbraw/zinc/39/21/59/422392159.db2.gz NLLFVHQDVNARIQ-JTQLQIEISA-N 1 1 321.381 1.634 20 5 DDBDMO COC(=O)c1ccnc(NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000598588736 422397441 /nfs/dbraw/zinc/39/74/41/422397441.db2.gz BVQNAMVEBXCWKM-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000614982510 422495455 /nfs/dbraw/zinc/49/54/55/422495455.db2.gz APYAKCZASPBHJJ-UHFFFAOYSA-N 1 1 317.349 1.672 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCNCC1([NH3+])CCC1 ZINC000342097560 271296832 /nfs/dbraw/zinc/29/68/32/271296832.db2.gz IDUXMWISTDLAOW-UHFFFAOYSA-N 1 1 322.365 1.403 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]CC1(N)CCC1 ZINC000342097560 271296836 /nfs/dbraw/zinc/29/68/36/271296836.db2.gz IDUXMWISTDLAOW-UHFFFAOYSA-N 1 1 322.365 1.403 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cs1 ZINC000344355425 272005959 /nfs/dbraw/zinc/00/59/59/272005959.db2.gz LKXVUDZUWLBNLF-SNVBAGLBSA-N 1 1 304.393 1.713 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344410911 272018372 /nfs/dbraw/zinc/01/83/72/272018372.db2.gz CDBBRCINZCOVMW-BETUJISGSA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000344671125 272085399 /nfs/dbraw/zinc/08/53/99/272085399.db2.gz NNNWQHLQNGWAOM-ZDUSSCGKSA-N 1 1 323.397 1.418 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000346050856 272399365 /nfs/dbraw/zinc/39/93/65/272399365.db2.gz RIDGHJDJRIVRCO-NEPJUHHUSA-N 1 1 323.397 1.431 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299569155 277075831 /nfs/dbraw/zinc/07/58/31/277075831.db2.gz TWYBBGBPBNPAGH-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000357312603 299005965 /nfs/dbraw/zinc/00/59/65/299005965.db2.gz JNAMULTUGNQHIS-UWVGGRQHSA-N 1 1 305.338 1.127 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363053467 300204424 /nfs/dbraw/zinc/20/44/24/300204424.db2.gz LBUZUQZNJMDXED-OAHLLOKOSA-N 1 1 303.362 1.834 20 5 DDBDMO CCn1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000574911960 304697018 /nfs/dbraw/zinc/69/70/18/304697018.db2.gz JRYFUUWOMBXMLG-ZDUSSCGKSA-N 1 1 320.349 1.341 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CCCCCC[C@@H]32)c1 ZINC000375852254 302004745 /nfs/dbraw/zinc/00/47/45/302004745.db2.gz WLCXRYGDGQNBPW-CFVMTHIKSA-N 1 1 308.382 1.807 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000377717982 302218608 /nfs/dbraw/zinc/21/86/08/302218608.db2.gz CWZIFSXAVOLACA-IUODEOHRSA-N 1 1 319.361 1.432 20 5 DDBDMO Cc1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444739333 302394543 /nfs/dbraw/zinc/39/45/43/302394543.db2.gz ADNONFMTAHSAHZ-CQSZACIVSA-N 1 1 322.340 1.732 20 5 DDBDMO COc1c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356544308 306855191 /nfs/dbraw/zinc/85/51/91/306855191.db2.gz QTUVKWIBOCUSFL-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]n1 ZINC000363366752 307026696 /nfs/dbraw/zinc/02/66/96/307026696.db2.gz JRRSYQMPHPLBTH-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000363366752 307026697 /nfs/dbraw/zinc/02/66/97/307026697.db2.gz JRRSYQMPHPLBTH-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000363366752 307026698 /nfs/dbraw/zinc/02/66/98/307026698.db2.gz JRRSYQMPHPLBTH-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000372747318 307174571 /nfs/dbraw/zinc/17/45/71/307174571.db2.gz XVKUTRLIRWYKEN-HNNXBMFYSA-N 1 1 305.334 1.978 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000372747318 307174572 /nfs/dbraw/zinc/17/45/72/307174572.db2.gz XVKUTRLIRWYKEN-HNNXBMFYSA-N 1 1 305.334 1.978 20 5 DDBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373798625 307195472 /nfs/dbraw/zinc/19/54/72/307195472.db2.gz SNAQHXUZKQFKST-XNISGKROSA-N 1 1 315.373 1.795 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000375270750 307220044 /nfs/dbraw/zinc/22/00/44/307220044.db2.gz VSNQKELPBSFYLM-RRFJBIMHSA-N 1 1 318.377 1.218 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377601546 307274663 /nfs/dbraw/zinc/27/46/63/307274663.db2.gz CGIUAJSHCMCEIW-VIFPVBQESA-N 1 1 308.294 1.200 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377632360 307275092 /nfs/dbraw/zinc/27/50/92/307275092.db2.gz UWTUBQCEGDRUMB-WDEREUQCSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377632360 307275093 /nfs/dbraw/zinc/27/50/93/307275093.db2.gz UWTUBQCEGDRUMB-WDEREUQCSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]12 ZINC000377647621 307275573 /nfs/dbraw/zinc/27/55/73/307275573.db2.gz FSEYZLZFOIDPIT-JQWIXIFHSA-N 1 1 320.305 1.071 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]12 ZINC000377647621 307275574 /nfs/dbraw/zinc/27/55/74/307275574.db2.gz FSEYZLZFOIDPIT-JQWIXIFHSA-N 1 1 320.305 1.071 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3(CO)COC3)C2)cc1 ZINC000574129197 308261899 /nfs/dbraw/zinc/26/18/99/308261899.db2.gz DCTQIXSBBOXCFO-CQSZACIVSA-N 1 1 306.362 1.783 20 5 DDBDMO Cc1c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331426594 533838989 /nfs/dbraw/zinc/83/89/89/533838989.db2.gz VCCZXDJVSPJGCL-ZDUSSCGKSA-N 1 1 303.362 1.799 20 5 DDBDMO CNC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820686 521850561 /nfs/dbraw/zinc/85/05/61/521850561.db2.gz VFVWBQRLPQETAJ-YGRLFVJLSA-N 1 1 322.365 1.085 20 5 DDBDMO CNC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820686 521850574 /nfs/dbraw/zinc/85/05/74/521850574.db2.gz VFVWBQRLPQETAJ-YGRLFVJLSA-N 1 1 322.365 1.085 20 5 DDBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[NH+]1CCC1 ZINC000431415512 534879714 /nfs/dbraw/zinc/87/97/14/534879714.db2.gz ADQMJHFEBMZODT-UHFFFAOYSA-N 1 1 301.144 1.870 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295010718 534882124 /nfs/dbraw/zinc/88/21/24/534882124.db2.gz SLMXSDIUKVCGAC-LLVKDONJSA-N 1 1 324.337 1.762 20 5 DDBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000413967017 527083280 /nfs/dbraw/zinc/08/32/80/527083280.db2.gz NRYLPFQYTQEZQY-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299592612 527800242 /nfs/dbraw/zinc/80/02/42/527800242.db2.gz FWIWMZCPQYWZKY-UHFFFAOYSA-N 1 1 301.368 1.133 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330825860 527928283 /nfs/dbraw/zinc/92/82/83/527928283.db2.gz IITFEEWEBYUZRJ-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000433165945 528009953 /nfs/dbraw/zinc/00/99/53/528009953.db2.gz JGCJBLGHAHMGIU-CQSZACIVSA-N 1 1 312.366 1.691 20 5 DDBDMO CCC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000296670101 528245586 /nfs/dbraw/zinc/24/55/86/528245586.db2.gz GSORQUTXKARZSE-ZDUSSCGKSA-N 1 1 321.377 1.514 20 5 DDBDMO CC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736571074 598499481 /nfs/dbraw/zinc/49/94/81/598499481.db2.gz PHRRYZCGNLGANA-VIFPVBQESA-N 1 1 318.341 1.066 20 5 DDBDMO C[C@H]([NH2+]CC(=O)NCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000746048414 700003739 /nfs/dbraw/zinc/00/37/39/700003739.db2.gz IGKZZFKJKHRDNU-LBPRGKRZSA-N 1 1 314.345 1.957 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964241 696378771 /nfs/dbraw/zinc/37/87/71/696378771.db2.gz UJZCOFAZXRSHMP-QWHCGFSZSA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964241 696378772 /nfs/dbraw/zinc/37/87/72/696378772.db2.gz UJZCOFAZXRSHMP-QWHCGFSZSA-N 1 1 323.397 1.766 20 5 DDBDMO COCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980577555 696804873 /nfs/dbraw/zinc/80/48/73/696804873.db2.gz SGRDVXSVOOJKOU-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO COCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980577555 696804876 /nfs/dbraw/zinc/80/48/76/696804876.db2.gz SGRDVXSVOOJKOU-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO O=C1N[C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000799179990 700126816 /nfs/dbraw/zinc/12/68/16/700126816.db2.gz GPGSDKKNWTUGQP-SKDRFNHKSA-N 1 1 309.297 1.664 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000799179990 700126817 /nfs/dbraw/zinc/12/68/17/700126817.db2.gz GPGSDKKNWTUGQP-SKDRFNHKSA-N 1 1 309.297 1.664 20 5 DDBDMO Cc1nn(C[N@H+]2CCOCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000774650750 697907307 /nfs/dbraw/zinc/90/73/07/697907307.db2.gz RQFIMQUUVBCDFL-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@@H+]2CCOCC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000774650750 697907309 /nfs/dbraw/zinc/90/73/09/697907309.db2.gz RQFIMQUUVBCDFL-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749939811 700193286 /nfs/dbraw/zinc/19/32/86/700193286.db2.gz UGPQXLDFYZBIES-SNVBAGLBSA-N 1 1 319.321 1.100 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749939811 700193288 /nfs/dbraw/zinc/19/32/88/700193288.db2.gz UGPQXLDFYZBIES-SNVBAGLBSA-N 1 1 319.321 1.100 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000800374542 700219119 /nfs/dbraw/zinc/21/91/19/700219119.db2.gz RTVUHMXMGJIIPE-XEZPLFJOSA-N 1 1 323.393 1.015 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000781966864 698667608 /nfs/dbraw/zinc/66/76/08/698667608.db2.gz QBAGZWNZCPXVFM-AWEZNQCLSA-N 1 1 310.350 1.102 20 5 DDBDMO Cc1sc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000750876924 700253006 /nfs/dbraw/zinc/25/30/06/700253006.db2.gz CIYTXTXHZAXYCJ-UHFFFAOYSA-N 1 1 314.363 1.844 20 5 DDBDMO COc1ccc2c(c1)CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000783981583 698898494 /nfs/dbraw/zinc/89/84/94/698898494.db2.gz YNBPDCNXXOFGCG-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000783981583 698898499 /nfs/dbraw/zinc/89/84/99/698898499.db2.gz YNBPDCNXXOFGCG-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000786190881 699133133 /nfs/dbraw/zinc/13/31/33/699133133.db2.gz OOXHKPMGVAPKSV-CABCVRRESA-N 1 1 310.350 1.366 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000787328292 699206068 /nfs/dbraw/zinc/20/60/68/699206068.db2.gz QKQBRDZKFRECBF-LERXQTSPSA-N 1 1 308.334 1.512 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329721 699206132 /nfs/dbraw/zinc/20/61/32/699206132.db2.gz DEYFIXNZNRPAFU-ATGSNQNLSA-N 1 1 319.361 1.214 20 5 DDBDMO Cc1c(C(=O)OCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000735893098 699709035 /nfs/dbraw/zinc/70/90/35/699709035.db2.gz BNPKAEPUXHENKC-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637068 699921045 /nfs/dbraw/zinc/92/10/45/699921045.db2.gz KXAUUXFULZNAOE-QWRGUYRKSA-N 1 1 306.366 1.698 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575365 699939816 /nfs/dbraw/zinc/93/98/16/699939816.db2.gz OILNKEAFOLEXGZ-CQDKDKBSSA-N 1 1 310.350 1.100 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385199 699947494 /nfs/dbraw/zinc/94/74/94/699947494.db2.gz MZKFFYHYVHAYNT-IUODEOHRSA-N 1 1 316.361 1.772 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248481 700557968 /nfs/dbraw/zinc/55/79/68/700557968.db2.gz NUTDEGVQLGLRCS-DZGCQCFKSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755248481 700557969 /nfs/dbraw/zinc/55/79/69/700557969.db2.gz NUTDEGVQLGLRCS-DZGCQCFKSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000761074705 700839615 /nfs/dbraw/zinc/83/96/15/700839615.db2.gz FDRSQCOXOXFEPJ-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000761074705 700839617 /nfs/dbraw/zinc/83/96/17/700839617.db2.gz FDRSQCOXOXFEPJ-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000761074705 700839619 /nfs/dbraw/zinc/83/96/19/700839619.db2.gz FDRSQCOXOXFEPJ-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076321 700840476 /nfs/dbraw/zinc/84/04/76/700840476.db2.gz NRRLOSOLCXRHFT-YPMHNXCESA-N 1 1 320.393 1.866 20 5 DDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116953 701084820 /nfs/dbraw/zinc/08/48/20/701084820.db2.gz OSEKGCIFCAJLBZ-HIFRSBDPSA-N 1 1 316.361 1.851 20 5 DDBDMO Cc1cccc(NCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[nH+]1 ZINC000804452139 701191502 /nfs/dbraw/zinc/19/15/02/701191502.db2.gz CCPNYQIGUQSMFJ-UHFFFAOYSA-N 1 1 317.349 1.897 20 5 DDBDMO Cc1ccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000839621514 701756651 /nfs/dbraw/zinc/75/66/51/701756651.db2.gz AWEGIPOKBNRLKE-UPJWGTAASA-N 1 1 307.350 1.506 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000839693873 701786860 /nfs/dbraw/zinc/78/68/60/701786860.db2.gz RTFCTUSZDBIPCR-BYCMXARLSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000839693873 701786864 /nfs/dbraw/zinc/78/68/64/701786864.db2.gz RTFCTUSZDBIPCR-BYCMXARLSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CC[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867956015 701852665 /nfs/dbraw/zinc/85/26/65/701852665.db2.gz JRGPGFAYQNYDMO-JKSUJKDBSA-N 1 1 319.361 1.408 20 5 DDBDMO CCN(C[C@H]1CCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867970188 701862982 /nfs/dbraw/zinc/86/29/82/701862982.db2.gz YRBNEPMMHNJUEQ-GDBMZVCRSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@H]21 ZINC000866209022 706649197 /nfs/dbraw/zinc/64/91/97/706649197.db2.gz NEVSYRSBRFUYLY-ZWNOBZJWSA-N 1 1 309.341 1.757 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC000843112600 702821218 /nfs/dbraw/zinc/82/12/18/702821218.db2.gz IRMFVOHOFICZPS-GOEBONIOSA-N 1 1 323.393 1.065 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000843893515 702938939 /nfs/dbraw/zinc/93/89/39/702938939.db2.gz OGNNCZXIKKXBTD-GXFFZTMASA-N 1 1 307.325 1.818 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844435306 703031465 /nfs/dbraw/zinc/03/14/65/703031465.db2.gz BWQDBZZCPDJUCQ-RYUDHWBXSA-N 1 1 316.308 1.273 20 5 DDBDMO CC(C)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000879600434 706734107 /nfs/dbraw/zinc/73/41/07/706734107.db2.gz DSZVMHCACQMVPF-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000831792003 706781202 /nfs/dbraw/zinc/78/12/02/706781202.db2.gz XWHQOWSUYRKTSQ-TXEJJXNPSA-N 1 1 311.357 1.621 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436526 704047955 /nfs/dbraw/zinc/04/79/55/704047955.db2.gz INPYGQXUUOINRZ-KGLIPLIRSA-N 1 1 321.333 1.155 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000819039571 704056745 /nfs/dbraw/zinc/05/67/45/704056745.db2.gz RWDVJMDVCPPHRG-GOEBONIOSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000819039571 704056748 /nfs/dbraw/zinc/05/67/48/704056748.db2.gz RWDVJMDVCPPHRG-GOEBONIOSA-N 1 1 305.378 1.702 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853966233 704341625 /nfs/dbraw/zinc/34/16/25/704341625.db2.gz QKCVPHRRPMETOK-HNNXBMFYSA-N 1 1 305.378 1.939 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@H](O)C3)sc2c1 ZINC000858868126 704766616 /nfs/dbraw/zinc/76/66/16/704766616.db2.gz VNGOJRMPHUPKGD-JTQLQIEISA-N 1 1 308.363 1.683 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822768459 705032134 /nfs/dbraw/zinc/03/21/34/705032134.db2.gz ROIXTISUABPVND-UHFFFAOYSA-N 1 1 301.387 1.003 20 5 DDBDMO COc1cc(COC(=O)Cn2c[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000859947463 705049803 /nfs/dbraw/zinc/04/98/03/705049803.db2.gz GFCGLEDDLRVBKY-UHFFFAOYSA-N 1 1 305.290 1.852 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823113408 705143783 /nfs/dbraw/zinc/14/37/83/705143783.db2.gz XIVHQOZSCMMKSN-LBPRGKRZSA-N 1 1 301.387 1.049 20 5 DDBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836658 705193701 /nfs/dbraw/zinc/19/37/01/705193701.db2.gz HOCSLVMOBSCQKT-KBPBESRZSA-N 1 1 305.334 1.609 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836658 705193704 /nfs/dbraw/zinc/19/37/04/705193704.db2.gz HOCSLVMOBSCQKT-KBPBESRZSA-N 1 1 305.334 1.609 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850086 705203577 /nfs/dbraw/zinc/20/35/77/705203577.db2.gz NUJBKPZLAIGDOE-STQMWFEESA-N 1 1 304.350 1.486 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000823968188 705347182 /nfs/dbraw/zinc/34/71/82/705347182.db2.gz MNTNISDNQSXLPM-ZJUUUORDSA-N 1 1 307.354 1.733 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118400 705604061 /nfs/dbraw/zinc/60/40/61/705604061.db2.gz SMTZNJCTSZGBEJ-ILXRZTDVSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000863322441 705900831 /nfs/dbraw/zinc/90/08/31/705900831.db2.gz VOZAAMIGDRFXOF-SECBINFHSA-N 1 1 313.741 1.045 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827328341 705976300 /nfs/dbraw/zinc/97/63/00/705976300.db2.gz DWTPPJCEGZMBLM-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000877786411 706211826 /nfs/dbraw/zinc/21/18/26/706211826.db2.gz GKRMQNRSOYMDJL-UHFFFAOYSA-N 1 1 311.313 1.624 20 5 DDBDMO C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036704 707284246 /nfs/dbraw/zinc/28/42/46/707284246.db2.gz VKXWGKMFSIKDOI-RYUDHWBXSA-N 1 1 310.373 1.630 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000837175150 707592041 /nfs/dbraw/zinc/59/20/41/707592041.db2.gz PBWPMFOCBVAEGR-UHFFFAOYSA-N 1 1 324.356 1.920 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779842 707597065 /nfs/dbraw/zinc/59/70/65/707597065.db2.gz IWZUHWKZZBEOFM-ZJUUUORDSA-N 1 1 307.379 1.977 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781506 707597413 /nfs/dbraw/zinc/59/74/13/707597413.db2.gz UQKWXPOCQJOZJA-QWRGUYRKSA-N 1 1 302.338 1.310 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882480312 707650317 /nfs/dbraw/zinc/65/03/17/707650317.db2.gz PWFVRBAXXPUEMC-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO Cc1cc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000838909599 708001938 /nfs/dbraw/zinc/00/19/38/708001938.db2.gz RSSLECPCGCLVTD-OTVXOJSOSA-N 1 1 320.345 1.923 20 5 DDBDMO Cc1ccnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222605 708259832 /nfs/dbraw/zinc/25/98/32/708259832.db2.gz WEXNUHHKLXNZFT-CHWSQXEVSA-N 1 1 306.366 1.334 20 5 DDBDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839776 708858623 /nfs/dbraw/zinc/85/86/23/708858623.db2.gz LVBXBWGPVGWLNV-NWANDNLSSA-N 1 1 320.393 1.708 20 5 DDBDMO O=C1C[C@H]([N@@H+]2CC[C@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303592 709012272 /nfs/dbraw/zinc/01/22/72/709012272.db2.gz XFUJJEKFCRKDRJ-MFKMUULPSA-N 1 1 321.308 1.518 20 5 DDBDMO O=C1C[C@H]([N@H+]2CC[C@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303592 709012274 /nfs/dbraw/zinc/01/22/74/709012274.db2.gz XFUJJEKFCRKDRJ-MFKMUULPSA-N 1 1 321.308 1.518 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899910615 709234902 /nfs/dbraw/zinc/23/49/02/709234902.db2.gz KAPCFLKNVFAGJZ-CYBMUJFWSA-N 1 1 305.334 1.562 20 5 DDBDMO Cc1cccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000888996719 709427550 /nfs/dbraw/zinc/42/75/50/709427550.db2.gz CBJBWNZKYUOXLW-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1cccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000888996719 709427551 /nfs/dbraw/zinc/42/75/51/709427551.db2.gz CBJBWNZKYUOXLW-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247988 713157455 /nfs/dbraw/zinc/15/74/55/713157455.db2.gz GCJFLDMBADPCOF-CHWSQXEVSA-N 1 1 320.393 1.408 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892154115 710382452 /nfs/dbraw/zinc/38/24/52/710382452.db2.gz VUGATXQQNRNJIW-UHFFFAOYSA-N 1 1 322.413 1.299 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928438955 713196605 /nfs/dbraw/zinc/19/66/05/713196605.db2.gz VFZNLKJHLJPXBT-WDEREUQCSA-N 1 1 307.350 1.816 20 5 DDBDMO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911477205 710814261 /nfs/dbraw/zinc/81/42/61/710814261.db2.gz UEYYNIMRRBDYFC-LBPRGKRZSA-N 1 1 313.304 1.974 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911477205 710814262 /nfs/dbraw/zinc/81/42/62/710814262.db2.gz UEYYNIMRRBDYFC-LBPRGKRZSA-N 1 1 313.304 1.974 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000894350675 711081156 /nfs/dbraw/zinc/08/11/56/711081156.db2.gz RTRFGLKLYPJROI-TXEJJXNPSA-N 1 1 324.381 1.544 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000894350675 711081161 /nfs/dbraw/zinc/08/11/61/711081161.db2.gz RTRFGLKLYPJROI-TXEJJXNPSA-N 1 1 324.381 1.544 20 5 DDBDMO COC[C@@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894620515 711219190 /nfs/dbraw/zinc/21/91/90/711219190.db2.gz UVWISHLNGFFGQC-SNVBAGLBSA-N 1 1 308.256 1.711 20 5 DDBDMO O=[N+]([O-])CCNc1ccc(N2CCOCC2)c2cc[nH+]cc12 ZINC000905300675 711997434 /nfs/dbraw/zinc/99/74/34/711997434.db2.gz KFJGWAOZDKBLFP-UHFFFAOYSA-N 1 1 302.334 1.760 20 5 DDBDMO C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000908511390 712793196 /nfs/dbraw/zinc/79/31/96/712793196.db2.gz DKTVABFYGRQOIW-LBPRGKRZSA-N 1 1 320.393 1.265 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000922164754 713980134 /nfs/dbraw/zinc/98/01/34/713980134.db2.gz RHRWMDDCHAYKRJ-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931408731 714087780 /nfs/dbraw/zinc/08/77/80/714087780.db2.gz DRZWCMSTMDMYBH-OAHLLOKOSA-N 1 1 323.393 1.490 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931408731 714087783 /nfs/dbraw/zinc/08/77/83/714087783.db2.gz DRZWCMSTMDMYBH-OAHLLOKOSA-N 1 1 323.393 1.490 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000933372687 714574659 /nfs/dbraw/zinc/57/46/59/714574659.db2.gz UPNUBXYBWPCHSM-YPMHNXCESA-N 1 1 323.397 1.431 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000933758444 714665502 /nfs/dbraw/zinc/66/55/02/714665502.db2.gz ATDPCLIDBPVLHX-LRDDRELGSA-N 1 1 319.361 1.561 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000935679046 715116114 /nfs/dbraw/zinc/11/61/14/715116114.db2.gz WBMCNXXJXRPHBY-UHFFFAOYSA-N 1 1 323.397 1.338 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CCCCC2)C1 ZINC000950055719 720469839 /nfs/dbraw/zinc/46/98/39/720469839.db2.gz NFCOAKGURLNSHK-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO Cc1ccccc1CCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938510 742872232 /nfs/dbraw/zinc/87/22/32/742872232.db2.gz CDGQJUNPVCDEDV-HUUCEWRRSA-N 1 1 305.378 1.299 20 5 DDBDMO COC1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001122028787 745051821 /nfs/dbraw/zinc/05/18/21/745051821.db2.gz RJEVIVSSVVBRED-HNNXBMFYSA-N 1 1 307.350 1.406 20 5 DDBDMO Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001031660948 747333455 /nfs/dbraw/zinc/33/34/55/747333455.db2.gz XZKPQYACBHLWFN-ZIAGYGMSSA-N 1 1 323.418 1.578 20 5 DDBDMO O=C(NCc1ccc(C[NH2+]CC2CCC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034815714 750916431 /nfs/dbraw/zinc/91/64/31/750916431.db2.gz BTIFREWGSXSUQT-HZPDHXFCSA-N 1 1 317.389 1.858 20 5 DDBDMO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168977383 762147111 /nfs/dbraw/zinc/14/71/11/762147111.db2.gz BDBHWWROLXYGIF-IACUBPJLSA-N 1 1 314.382 1.380 20 5 DDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007215 762175069 /nfs/dbraw/zinc/17/50/69/762175069.db2.gz LWUCKTKQSZHBRU-XQLPTFJDSA-N 1 1 317.389 1.713 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)C1 ZINC001169019736 762199833 /nfs/dbraw/zinc/19/98/33/762199833.db2.gz JEJZIQYLZAAPHA-FMKPAKJESA-N 1 1 317.393 1.577 20 5 DDBDMO Cc1nccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169051989 762206848 /nfs/dbraw/zinc/20/68/48/762206848.db2.gz DYYQVNSAPAUZHP-BFHYXJOUSA-N 1 1 306.366 1.684 20 5 DDBDMO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023545 762201311 /nfs/dbraw/zinc/20/13/11/762201311.db2.gz OYWUCPYYTJYXPR-AQDIXCGQSA-N 1 1 321.421 1.668 20 5 DDBDMO CCOCc1ncn2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169025768 762203692 /nfs/dbraw/zinc/20/36/92/762203692.db2.gz UVKOYHBALNIAKV-STQMWFEESA-N 1 1 308.382 1.681 20 5 DDBDMO CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169025768 762203699 /nfs/dbraw/zinc/20/36/99/762203699.db2.gz UVKOYHBALNIAKV-STQMWFEESA-N 1 1 308.382 1.681 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ncccn3)C2)C1 ZINC001169053132 762207977 /nfs/dbraw/zinc/20/79/77/762207977.db2.gz HQHGIWFPRMVVCW-MCIONIFRSA-N 1 1 306.366 1.765 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001133015246 769406661 /nfs/dbraw/zinc/40/66/61/769406661.db2.gz YGRAFQXCQHWJFD-SNVBAGLBSA-N 1 1 322.321 1.635 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001133015246 769406669 /nfs/dbraw/zinc/40/66/69/769406669.db2.gz YGRAFQXCQHWJFD-SNVBAGLBSA-N 1 1 322.321 1.635 20 5 DDBDMO CCC(=O)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048630615 769593698 /nfs/dbraw/zinc/59/36/98/769593698.db2.gz LRVXMDWQDOAGCW-TXEJJXNPSA-N 1 1 309.391 1.957 20 5 DDBDMO CCC(=O)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048630615 769593710 /nfs/dbraw/zinc/59/37/10/769593710.db2.gz LRVXMDWQDOAGCW-TXEJJXNPSA-N 1 1 309.391 1.957 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097053150 771599907 /nfs/dbraw/zinc/59/99/07/771599907.db2.gz LPVBEKKKFYVWQE-HAQNSBGRSA-N 1 1 321.381 1.391 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001159783465 771924053 /nfs/dbraw/zinc/92/40/53/771924053.db2.gz CXGASTJZVZHZHN-NSHDSACASA-N 1 1 310.745 1.627 20 5 DDBDMO C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907532 776917941 /nfs/dbraw/zinc/91/79/41/776917941.db2.gz GXQVGZYIALVFLJ-FZMZJTMJSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907532 776917950 /nfs/dbraw/zinc/91/79/50/776917950.db2.gz GXQVGZYIALVFLJ-FZMZJTMJSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCN(C)CC1 ZINC001173211127 777067406 /nfs/dbraw/zinc/06/74/06/777067406.db2.gz PQPBNUFXAINJFH-AWEZNQCLSA-N 1 1 306.410 1.363 20 5 DDBDMO O=C1O[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001327224099 861976248 /nfs/dbraw/zinc/97/62/48/861976248.db2.gz PSLQSKDBEBGPJD-HNNXBMFYSA-N 1 1 317.345 1.936 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC001327224099 861976256 /nfs/dbraw/zinc/97/62/56/861976256.db2.gz PSLQSKDBEBGPJD-HNNXBMFYSA-N 1 1 317.345 1.936 20 5 DDBDMO CCC(C)(CC)C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001151593351 862863085 /nfs/dbraw/zinc/86/30/85/862863085.db2.gz GKAXSYWVCPONEF-UHFFFAOYSA-N 1 1 311.386 1.360 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001156628431 863206440 /nfs/dbraw/zinc/20/64/40/863206440.db2.gz SPYWHQIPKNHKNS-UHFFFAOYSA-N 1 1 322.328 1.781 20 5 DDBDMO O=C(NCCC[NH2+]CC/C=C/c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767502 864117694 /nfs/dbraw/zinc/11/76/94/864117694.db2.gz PCNYGMQTINUUFC-HWYYHXQYSA-N 1 1 317.389 1.851 20 5 DDBDMO O=C(NCCC[NH2+]CCCc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767745 864118899 /nfs/dbraw/zinc/11/88/99/864118899.db2.gz SKSVLCJMXAOGFY-HUUCEWRRSA-N 1 1 323.368 1.519 20 5 DDBDMO CC[C@H](C)[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(N)=O ZINC001158276840 864534898 /nfs/dbraw/zinc/53/48/98/864534898.db2.gz ROOARYAUDUJNRW-KKPYEMJRSA-N 1 1 321.381 1.834 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001160965316 866226189 /nfs/dbraw/zinc/22/61/89/866226189.db2.gz WXGBQPFYNROWBX-SECBINFHSA-N 1 1 300.746 1.778 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333586567 866860905 /nfs/dbraw/zinc/86/09/05/866860905.db2.gz JZVGQGLLYKGAGR-INIZCTEOSA-N 1 1 307.394 1.654 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335117117 868076713 /nfs/dbraw/zinc/07/67/13/868076713.db2.gz KNCAUYVTBUACJQ-CHWSQXEVSA-N 1 1 309.341 1.769 20 5 DDBDMO COC(=O)Cc1ccc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226213697 882282827 /nfs/dbraw/zinc/28/28/27/882282827.db2.gz FTWKUEIRTOLYTK-GFCCVEGCSA-N 1 1 308.334 1.783 20 5 DDBDMO COc1cccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084762 869791036 /nfs/dbraw/zinc/79/10/36/869791036.db2.gz SFRITYOSQOMIAC-AAEUAGOBSA-N 1 1 308.382 1.650 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001338083934 869791531 /nfs/dbraw/zinc/79/15/31/869791531.db2.gz LTUGOHOVOAPTHT-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001338083934 869791536 /nfs/dbraw/zinc/79/15/36/869791536.db2.gz LTUGOHOVOAPTHT-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340012699 870837548 /nfs/dbraw/zinc/83/75/48/870837548.db2.gz TVFQQSITVPWUBU-OLZOCXBDSA-N 1 1 324.429 1.426 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001317540435 871027589 /nfs/dbraw/zinc/02/75/89/871027589.db2.gz KGVYRRXTGDWPLZ-ZIAGYGMSSA-N 1 1 306.366 1.075 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001317540435 871027614 /nfs/dbraw/zinc/02/76/14/871027614.db2.gz KGVYRRXTGDWPLZ-ZIAGYGMSSA-N 1 1 306.366 1.075 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001317540435 871027637 /nfs/dbraw/zinc/02/76/37/871027637.db2.gz KGVYRRXTGDWPLZ-ZIAGYGMSSA-N 1 1 306.366 1.075 20 5 DDBDMO COC(=O)Cc1ccc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307122390 871398841 /nfs/dbraw/zinc/39/88/41/871398841.db2.gz JILOIGGWCUXALI-DOMZBBRYSA-N 1 1 319.361 1.451 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001307312918 871419419 /nfs/dbraw/zinc/41/94/19/871419419.db2.gz WTOSOGOLIBDPCF-NSHDSACASA-N 1 1 324.337 1.928 20 5 DDBDMO CC[N@H+]1CCCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342909966 872433619 /nfs/dbraw/zinc/43/36/19/872433619.db2.gz RVOONFGEHGRVKL-CYBMUJFWSA-N 1 1 324.429 1.804 20 5 DDBDMO CCn1nccc1C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001206720665 872531791 /nfs/dbraw/zinc/53/17/91/872531791.db2.gz LGJRAHMGEGPPAF-UHFFFAOYSA-N 1 1 306.322 1.815 20 5 DDBDMO Cc1cnc(CO[C@H](C)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC001224184944 881260996 /nfs/dbraw/zinc/26/09/96/881260996.db2.gz ZVYGNFLOIPVCHT-GFCCVEGCSA-N 1 1 309.366 1.844 20 5 DDBDMO O=[N+]([O-])c1cnc(O[C@@H]2CCc3[nH+]ccn3C2)c2[nH]cnc21 ZINC001227692485 883136120 /nfs/dbraw/zinc/13/61/20/883136120.db2.gz YZVYWTBEEHMSRK-MRVPVSSYSA-N 1 1 300.278 1.456 20 5 DDBDMO COCCCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001234397659 887935524 /nfs/dbraw/zinc/93/55/24/887935524.db2.gz HJJRWPFSSCTXLU-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO COc1ccc(C[C@@H](C)[NH2+][C@H]2CNCCC2=O)c([N+](=O)[O-])c1 ZINC001246294592 892520356 /nfs/dbraw/zinc/52/03/56/892520356.db2.gz RIJBOVZNQNFTEJ-MFKMUULPSA-N 1 1 307.350 1.055 20 5 DDBDMO COc1ccc(C[C@@H](C)N[C@H]2C[NH2+]CCC2=O)c([N+](=O)[O-])c1 ZINC001246294592 892520365 /nfs/dbraw/zinc/52/03/65/892520365.db2.gz RIJBOVZNQNFTEJ-MFKMUULPSA-N 1 1 307.350 1.055 20 5 DDBDMO CN[C@@H](CCCC[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247821256 893383961 /nfs/dbraw/zinc/38/39/61/893383961.db2.gz QDOBSQXYYYVVKK-VIFPVBQESA-N 1 1 324.316 1.568 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](F)C[C@H]3CO)CC2)cc1 ZINC001254476643 896457147 /nfs/dbraw/zinc/45/71/47/896457147.db2.gz VBRIJEVUWVHYRR-WBMJQRKESA-N 1 1 323.368 1.968 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(C3COC3)CC1)C2 ZINC001254599210 896524714 /nfs/dbraw/zinc/52/47/14/896524714.db2.gz MFARSYOPCKFBKI-OAHLLOKOSA-N 1 1 303.362 1.078 20 5 DDBDMO Cc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001264010894 900870813 /nfs/dbraw/zinc/87/08/13/900870813.db2.gz OEDKJKJTHDFMCV-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000248985804 282123995 /nfs/dbraw/zinc/12/39/95/282123995.db2.gz WGOCPRNAGCYJAW-NXEZZACHSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000248985804 282123997 /nfs/dbraw/zinc/12/39/97/282123997.db2.gz WGOCPRNAGCYJAW-NXEZZACHSA-N 1 1 302.758 1.812 20 5 DDBDMO CC[C@]1(O)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000495196474 529440461 /nfs/dbraw/zinc/44/04/61/529440461.db2.gz UQCXNGAEEFFTEL-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000495196474 529440462 /nfs/dbraw/zinc/44/04/62/529440462.db2.gz UQCXNGAEEFFTEL-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295716171 529503291 /nfs/dbraw/zinc/50/32/91/529503291.db2.gz NPCIKBZWBGXZGR-LBPRGKRZSA-N 1 1 307.350 1.187 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745143 529803101 /nfs/dbraw/zinc/80/31/01/529803101.db2.gz NTIKCVAUNSIPHG-USEMIUTHSA-N 1 1 307.325 1.815 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000457173046 529883972 /nfs/dbraw/zinc/88/39/72/529883972.db2.gz VJJYXCHOQAFPLQ-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)CC(C)(C)C ZINC000451787209 529939472 /nfs/dbraw/zinc/93/94/72/529939472.db2.gz JIRMTCMDTUNMDX-ZDUSSCGKSA-N 1 1 311.382 1.485 20 5 DDBDMO CCOC(=O)c1cc(N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615494256 362307096 /nfs/dbraw/zinc/30/70/96/362307096.db2.gz JNFKRGRGCGEVHU-LLVKDONJSA-N 1 1 307.350 1.912 20 5 DDBDMO C[NH+](C)CC(C)(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457203894 232013411 /nfs/dbraw/zinc/01/34/11/232013411.db2.gz JDWIONWILHNSHZ-UHFFFAOYSA-N 1 1 305.338 1.541 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000458175577 530055074 /nfs/dbraw/zinc/05/50/74/530055074.db2.gz CSYGQFXJFPLEGA-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491889106 530063180 /nfs/dbraw/zinc/06/31/80/530063180.db2.gz UURSUSVHMRGDDF-VGVVRCBHSA-N 1 1 307.325 1.958 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000330889570 232140009 /nfs/dbraw/zinc/14/00/09/232140009.db2.gz BMNRAYCQQARCQI-QWRGUYRKSA-N 1 1 309.370 1.125 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330915846 232160647 /nfs/dbraw/zinc/16/06/47/232160647.db2.gz URUDUWLRVLFSNW-NWDGAFQWSA-N 1 1 306.366 1.606 20 5 DDBDMO CC[N@@H+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000616376530 362666503 /nfs/dbraw/zinc/66/65/03/362666503.db2.gz UAZHNTZRGHPQCK-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CC[N@H+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000616376530 362666506 /nfs/dbraw/zinc/66/65/06/362666506.db2.gz UAZHNTZRGHPQCK-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CS(=O)(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000279647833 215030096 /nfs/dbraw/zinc/03/00/96/215030096.db2.gz DPODZKSYXBVIJK-UHFFFAOYSA-N 1 1 304.393 1.713 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000341867812 282500299 /nfs/dbraw/zinc/50/02/99/282500299.db2.gz DXPPNBIPVDRLCU-ZDUSSCGKSA-N 1 1 322.365 1.202 20 5 DDBDMO CCn1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000616786119 362817962 /nfs/dbraw/zinc/81/79/62/362817962.db2.gz KDEMHWQVJNOZCL-UHFFFAOYSA-N 1 1 304.350 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279892495 215212207 /nfs/dbraw/zinc/21/22/07/215212207.db2.gz UTQUEMFBGFGHDF-AWEZNQCLSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026342630 352207795 /nfs/dbraw/zinc/20/77/95/352207795.db2.gz ZMSLPPVIJASQBJ-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026342630 352207797 /nfs/dbraw/zinc/20/77/97/352207797.db2.gz ZMSLPPVIJASQBJ-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO CC[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000028707098 352231729 /nfs/dbraw/zinc/23/17/29/352231729.db2.gz XVRRTWVJBQOZBH-UHFFFAOYSA-N 1 1 318.377 1.629 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000053678007 352663599 /nfs/dbraw/zinc/66/35/99/352663599.db2.gz ASQJICWDSOAIJD-LBPRGKRZSA-N 1 1 306.366 1.851 20 5 DDBDMO C[N@@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058857002 352854530 /nfs/dbraw/zinc/85/45/30/352854530.db2.gz FIALAGGNWKPIFE-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066137799 352979099 /nfs/dbraw/zinc/97/90/99/352979099.db2.gz BURPGBDVGAZKQL-GFCCVEGCSA-N 1 1 309.366 1.820 20 5 DDBDMO CC[N@@H+](CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000069442612 353161723 /nfs/dbraw/zinc/16/17/23/353161723.db2.gz GFGNPXBAAGMHNI-UHFFFAOYSA-N 1 1 321.377 1.746 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000491989715 234353397 /nfs/dbraw/zinc/35/33/97/234353397.db2.gz HTOPRPAXZVCTES-FPLPWBNLSA-N 1 1 301.346 1.986 20 5 DDBDMO Cc1[nH+]cn(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000182100298 199386881 /nfs/dbraw/zinc/38/68/81/199386881.db2.gz JUUYVVBHEPWPHZ-UHFFFAOYSA-N 1 1 309.347 1.882 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000174709866 198373110 /nfs/dbraw/zinc/37/31/10/198373110.db2.gz RPDNBHCHDYGKQG-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CO)C1 ZINC000174709866 198373111 /nfs/dbraw/zinc/37/31/11/198373111.db2.gz RPDNBHCHDYGKQG-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077555743 353475534 /nfs/dbraw/zinc/47/55/34/353475534.db2.gz MPUMEBHXDNTISZ-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCC[N@@H+](C)C1 ZINC000182168416 199397196 /nfs/dbraw/zinc/39/71/96/199397196.db2.gz YXIUUOMAPFVKPA-LLVKDONJSA-N 1 1 321.333 1.490 20 5 DDBDMO CN(CC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000079738804 353574917 /nfs/dbraw/zinc/57/49/17/353574917.db2.gz PVCGFQLQYRODRN-UHFFFAOYSA-N 1 1 306.366 1.241 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617722405 363253649 /nfs/dbraw/zinc/25/36/49/363253649.db2.gz SLCXCTWOLYOSIY-OLZOCXBDSA-N 1 1 321.377 1.223 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265531 353763835 /nfs/dbraw/zinc/76/38/35/353763835.db2.gz JCWQSDFUPDQIFZ-LBPRGKRZSA-N 1 1 307.350 1.668 20 5 DDBDMO COC[C@@](C)(CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000085904225 353738543 /nfs/dbraw/zinc/73/85/43/353738543.db2.gz OAAGWLVZKSRKEG-CQSZACIVSA-N 1 1 309.322 1.613 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093344416 353897964 /nfs/dbraw/zinc/89/79/64/353897964.db2.gz LIASSDBOXRMLCT-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000109689363 353957350 /nfs/dbraw/zinc/95/73/50/353957350.db2.gz KYBLBXUEWPENRT-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000321498352 354532755 /nfs/dbraw/zinc/53/27/55/354532755.db2.gz SPSKAAKMGIOIEN-GFCCVEGCSA-N 1 1 316.365 1.196 20 5 DDBDMO CN1CCN(C)[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000321498352 354532758 /nfs/dbraw/zinc/53/27/58/354532758.db2.gz SPSKAAKMGIOIEN-GFCCVEGCSA-N 1 1 316.365 1.196 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000321498352 354532761 /nfs/dbraw/zinc/53/27/61/354532761.db2.gz SPSKAAKMGIOIEN-GFCCVEGCSA-N 1 1 316.365 1.196 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000321498352 354532766 /nfs/dbraw/zinc/53/27/66/354532766.db2.gz SPSKAAKMGIOIEN-GFCCVEGCSA-N 1 1 316.365 1.196 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000588026870 354895725 /nfs/dbraw/zinc/89/57/25/354895725.db2.gz QGHXPIVXLNLINE-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000588026870 354895727 /nfs/dbraw/zinc/89/57/27/354895727.db2.gz QGHXPIVXLNLINE-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO Nc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309777 354881859 /nfs/dbraw/zinc/88/18/59/354881859.db2.gz QUGNMBCJONQTNA-AAEUAGOBSA-N 1 1 306.366 1.708 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCCO)C2CC2)c1 ZINC000589499937 354996986 /nfs/dbraw/zinc/99/69/86/354996986.db2.gz LOAGMCVFNDASPP-UHFFFAOYSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCCO)C2CC2)c1 ZINC000589499937 354996989 /nfs/dbraw/zinc/99/69/89/354996989.db2.gz LOAGMCVFNDASPP-UHFFFAOYSA-N 1 1 308.334 1.728 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590522996 355107813 /nfs/dbraw/zinc/10/78/13/355107813.db2.gz RYFQDHRKVXSRIC-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590522996 355107816 /nfs/dbraw/zinc/10/78/16/355107816.db2.gz RYFQDHRKVXSRIC-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590445088 355098432 /nfs/dbraw/zinc/09/84/32/355098432.db2.gz MZZOLIKOZFCJBD-YPMHNXCESA-N 1 1 319.361 1.770 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655893 355138427 /nfs/dbraw/zinc/13/84/27/355138427.db2.gz CRLUBNDLXSHCSK-GXTWGEPZSA-N 1 1 322.361 1.974 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000591687929 355363235 /nfs/dbraw/zinc/36/32/35/355363235.db2.gz IRHQYYRGUWIWLY-HNNXBMFYSA-N 1 1 312.329 1.777 20 5 DDBDMO [NH3+]CC[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432156 355581727 /nfs/dbraw/zinc/58/17/27/355581727.db2.gz GKNPKCTXDUTKPH-LBPRGKRZSA-N 1 1 321.377 1.927 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000077912036 191795038 /nfs/dbraw/zinc/79/50/38/191795038.db2.gz XGEDZBOZCUREAJ-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592996532 355765584 /nfs/dbraw/zinc/76/55/84/355765584.db2.gz GFXINAGYJJZBAO-CQSZACIVSA-N 1 1 305.382 1.206 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593613126 355942919 /nfs/dbraw/zinc/94/29/19/355942919.db2.gz IBNQYKPMVPYTHP-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000593985858 356079722 /nfs/dbraw/zinc/07/97/22/356079722.db2.gz MXZZZTNNRDHCCN-UHFFFAOYSA-N 1 1 321.377 1.907 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000594056508 356101584 /nfs/dbraw/zinc/10/15/84/356101584.db2.gz WJQQRSWUGZKUAB-JTQLQIEISA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000594056508 356101591 /nfs/dbraw/zinc/10/15/91/356101591.db2.gz WJQQRSWUGZKUAB-JTQLQIEISA-N 1 1 318.333 1.990 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594065474 356104066 /nfs/dbraw/zinc/10/40/66/356104066.db2.gz PYAAJNFXOZPKHJ-NSHDSACASA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000594065474 356104069 /nfs/dbraw/zinc/10/40/69/356104069.db2.gz PYAAJNFXOZPKHJ-NSHDSACASA-N 1 1 307.350 1.687 20 5 DDBDMO O=[N+]([O-])c1cccc(-n2cc(C[N@H+]3CCC[C@@H]3CO)nn2)c1 ZINC000594639849 356269144 /nfs/dbraw/zinc/26/91/44/356269144.db2.gz FQPYKJNERSWXCP-CQSZACIVSA-N 1 1 303.322 1.132 20 5 DDBDMO O=[N+]([O-])c1cccc(-n2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)c1 ZINC000594639849 356269147 /nfs/dbraw/zinc/26/91/47/356269147.db2.gz FQPYKJNERSWXCP-CQSZACIVSA-N 1 1 303.322 1.132 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000595035613 356375209 /nfs/dbraw/zinc/37/52/09/356375209.db2.gz YCYUIZUUDFVXJO-SNVBAGLBSA-N 1 1 307.350 1.780 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000595103996 356382748 /nfs/dbraw/zinc/38/27/48/356382748.db2.gz AIXKVJSZNMRFNH-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CC1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000595467164 356503842 /nfs/dbraw/zinc/50/38/42/356503842.db2.gz IUTMFYUGZVQHRH-UHFFFAOYSA-N 1 1 311.357 1.622 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595493927 356516737 /nfs/dbraw/zinc/51/67/37/356516737.db2.gz XEORYTOFGUISES-CMPLNLGQSA-N 1 1 310.354 1.186 20 5 DDBDMO Cc1noc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595493927 356516739 /nfs/dbraw/zinc/51/67/39/356516739.db2.gz XEORYTOFGUISES-CMPLNLGQSA-N 1 1 310.354 1.186 20 5 DDBDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@@H]1SC ZINC000595556412 356549129 /nfs/dbraw/zinc/54/91/29/356549129.db2.gz DRUCQAJZLNXXNQ-LNLATYFQSA-N 1 1 301.368 1.890 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000595664116 356599313 /nfs/dbraw/zinc/59/93/13/356599313.db2.gz YCLGCQYOUHPQNV-MRXNPFEDSA-N 1 1 324.377 1.967 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000595664116 356599316 /nfs/dbraw/zinc/59/93/16/356599316.db2.gz YCLGCQYOUHPQNV-MRXNPFEDSA-N 1 1 324.377 1.967 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)n2)cc1 ZINC000595758414 356640108 /nfs/dbraw/zinc/64/01/08/356640108.db2.gz QLAHDOASQOCGDG-XHDPSFHLSA-N 1 1 316.317 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)n2)cc1 ZINC000595758414 356640113 /nfs/dbraw/zinc/64/01/13/356640113.db2.gz QLAHDOASQOCGDG-XHDPSFHLSA-N 1 1 316.317 1.602 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000595836089 356671325 /nfs/dbraw/zinc/67/13/25/356671325.db2.gz ZJTPASYUOJTHGF-UHFFFAOYSA-N 1 1 308.334 1.705 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595856223 356679447 /nfs/dbraw/zinc/67/94/47/356679447.db2.gz LCOKASNGIQSZSS-BJHJDKERSA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595856223 356679452 /nfs/dbraw/zinc/67/94/52/356679452.db2.gz LCOKASNGIQSZSS-BJHJDKERSA-N 1 1 308.334 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)nc2c1 ZINC000595827691 356666654 /nfs/dbraw/zinc/66/66/54/356666654.db2.gz DADYNDDEXCZDIT-MNOVXSKESA-N 1 1 302.334 1.939 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596305881 356852012 /nfs/dbraw/zinc/85/20/12/356852012.db2.gz BXWYJXHZABGSRC-SECBINFHSA-N 1 1 307.354 1.373 20 5 DDBDMO CNC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000597249964 357109427 /nfs/dbraw/zinc/10/94/27/357109427.db2.gz PAXUXYSVYQTBQK-UHFFFAOYSA-N 1 1 317.349 1.173 20 5 DDBDMO CNC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000597249964 357109430 /nfs/dbraw/zinc/10/94/30/357109430.db2.gz PAXUXYSVYQTBQK-UHFFFAOYSA-N 1 1 317.349 1.173 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000597716749 357299769 /nfs/dbraw/zinc/29/97/69/357299769.db2.gz UBISLZBRIGFCEI-HNNXBMFYSA-N 1 1 321.381 1.044 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859330 357361623 /nfs/dbraw/zinc/36/16/23/357361623.db2.gz UOYDIHCPVZBIJL-LLVKDONJSA-N 1 1 309.370 1.089 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597862297 357363238 /nfs/dbraw/zinc/36/32/38/357363238.db2.gz ZOALUTIAGDDXKF-SNVBAGLBSA-N 1 1 322.365 1.546 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922501 357382441 /nfs/dbraw/zinc/38/24/41/357382441.db2.gz DXKBIFOBTVBAOG-SNVBAGLBSA-N 1 1 309.370 1.239 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598559701 357631989 /nfs/dbraw/zinc/63/19/89/357631989.db2.gz YOEBPJLMWXUPBA-LLVKDONJSA-N 1 1 307.354 1.170 20 5 DDBDMO Cc1nccnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598671905 357679794 /nfs/dbraw/zinc/67/97/94/357679794.db2.gz FILJOHDJYDCDCQ-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1nccnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598671905 357679797 /nfs/dbraw/zinc/67/97/97/357679797.db2.gz FILJOHDJYDCDCQ-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO CC(C)c1ncc2c(n1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000598937868 357764663 /nfs/dbraw/zinc/76/46/63/357764663.db2.gz SWQPVMNUGKOKPI-UHFFFAOYSA-N 1 1 316.365 1.763 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599042201 357800874 /nfs/dbraw/zinc/80/08/74/357800874.db2.gz FNRXPZJTTQZTDX-CYBMUJFWSA-N 1 1 315.377 1.801 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000179217980 199000211 /nfs/dbraw/zinc/00/02/11/199000211.db2.gz IKDBUHIFZSAKIQ-UHFFFAOYSA-N 1 1 321.377 1.792 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC2(CCCCC2)C1 ZINC000179217980 199000213 /nfs/dbraw/zinc/00/02/13/199000213.db2.gz IKDBUHIFZSAKIQ-UHFFFAOYSA-N 1 1 321.377 1.792 20 5 DDBDMO COC(=O)c1cc(NCC[N@H+]2CC[C@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC000599200110 357847920 /nfs/dbraw/zinc/84/79/20/357847920.db2.gz WXFUCCUVFZSSPY-LBPRGKRZSA-N 1 1 323.349 1.168 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599567328 357976807 /nfs/dbraw/zinc/97/68/07/357976807.db2.gz NTFUNVIYEXXJJH-OAHLLOKOSA-N 1 1 308.334 1.667 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(O)cccc2C1 ZINC000599649046 358006930 /nfs/dbraw/zinc/00/69/30/358006930.db2.gz WYXUFMSDDPDWPG-UHFFFAOYSA-N 1 1 315.329 1.520 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649046 358006933 /nfs/dbraw/zinc/00/69/33/358006933.db2.gz WYXUFMSDDPDWPG-UHFFFAOYSA-N 1 1 315.329 1.520 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599843879 358068562 /nfs/dbraw/zinc/06/85/62/358068562.db2.gz PWAIMLFNPXZVRP-UHFFFAOYSA-N 1 1 318.337 1.160 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCC[NH2+]3)o2)cc1 ZINC000600679078 358281120 /nfs/dbraw/zinc/28/11/20/358281120.db2.gz ZATHKFXMNFPVTQ-ZDUSSCGKSA-N 1 1 317.345 1.933 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccco1 ZINC000180595119 199181671 /nfs/dbraw/zinc/18/16/71/199181671.db2.gz WWEWMOSPLFJYQE-LBPRGKRZSA-N 1 1 318.333 1.803 20 5 DDBDMO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601129856 358414160 /nfs/dbraw/zinc/41/41/60/358414160.db2.gz NKGYRQMYBWJBIQ-LLVKDONJSA-N 1 1 314.345 1.988 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000601187107 358439195 /nfs/dbraw/zinc/43/91/95/358439195.db2.gz ODUYUUWFUDRXMZ-UHFFFAOYSA-N 1 1 306.366 1.485 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601774750 358690134 /nfs/dbraw/zinc/69/01/34/358690134.db2.gz DJZOKPUHORONQY-XFJVYGCCSA-N 1 1 321.377 1.259 20 5 DDBDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602448969 358983665 /nfs/dbraw/zinc/98/36/65/358983665.db2.gz XFAKFMLCMPUFEX-UHFFFAOYSA-N 1 1 323.397 1.407 20 5 DDBDMO CO[C@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCOC1 ZINC000602689098 359127061 /nfs/dbraw/zinc/12/70/61/359127061.db2.gz QSPULLAVXWQNIN-MLGOLLRUSA-N 1 1 322.361 1.709 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000602853468 359240403 /nfs/dbraw/zinc/24/04/03/359240403.db2.gz ZQUZCISAYZNLSH-CYBMUJFWSA-N 1 1 312.395 1.308 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000602853468 359240408 /nfs/dbraw/zinc/24/04/08/359240408.db2.gz ZQUZCISAYZNLSH-CYBMUJFWSA-N 1 1 312.395 1.308 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000602820461 359214101 /nfs/dbraw/zinc/21/41/01/359214101.db2.gz LUEIOHQJOPYTEK-UHFFFAOYSA-N 1 1 303.322 1.259 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000186766731 200006018 /nfs/dbraw/zinc/00/60/18/200006018.db2.gz OCOBPGYHCOFUTJ-UHFFFAOYSA-N 1 1 306.366 1.220 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186932185 200033477 /nfs/dbraw/zinc/03/34/77/200033477.db2.gz SOJYVZOMZFLQHB-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186932185 200033478 /nfs/dbraw/zinc/03/34/78/200033478.db2.gz SOJYVZOMZFLQHB-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000187259680 200084891 /nfs/dbraw/zinc/08/48/91/200084891.db2.gz UXDZFZLGJBRBKF-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000187259680 200084893 /nfs/dbraw/zinc/08/48/93/200084893.db2.gz UXDZFZLGJBRBKF-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281133972 216101014 /nfs/dbraw/zinc/10/10/14/216101014.db2.gz NSJKTCUDDJCMLO-AWEZNQCLSA-N 1 1 322.321 1.461 20 5 DDBDMO CO[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189318133 200381045 /nfs/dbraw/zinc/38/10/45/200381045.db2.gz UBUONCFZSBKOJG-NOLJZWGESA-N 1 1 324.377 1.691 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609111602 360260464 /nfs/dbraw/zinc/26/04/64/360260464.db2.gz PIQMSQXLXHZROA-ZDUSSCGKSA-N 1 1 307.398 1.675 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609476891 360311827 /nfs/dbraw/zinc/31/18/27/360311827.db2.gz YEMCCKLJZKAJFI-LLVKDONJSA-N 1 1 323.397 1.873 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000609506143 360316158 /nfs/dbraw/zinc/31/61/58/360316158.db2.gz QNXLCQWGYZJHAT-UHFFFAOYSA-N 1 1 312.289 1.766 20 5 DDBDMO COCC1([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611178625 360650059 /nfs/dbraw/zinc/65/00/59/360650059.db2.gz HVQZXUBLJCISEK-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO COCC1([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611178625 360650071 /nfs/dbraw/zinc/65/00/71/360650071.db2.gz HVQZXUBLJCISEK-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000292689339 223202618 /nfs/dbraw/zinc/20/26/18/223202618.db2.gz RKWLPQWSIPODIZ-CYBMUJFWSA-N 1 1 324.356 1.794 20 5 DDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713161 223213409 /nfs/dbraw/zinc/21/34/09/223213409.db2.gz SVHQUAJLFACGAS-RYUDHWBXSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873382 364170564 /nfs/dbraw/zinc/17/05/64/364170564.db2.gz IIIDYFHGYCPEHA-ZDUSSCGKSA-N 1 1 318.377 1.023 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293061560 223377937 /nfs/dbraw/zinc/37/79/37/223377937.db2.gz IMNDROKKUWQIEM-SMDDNHRTSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293061560 223377939 /nfs/dbraw/zinc/37/79/39/223377939.db2.gz IMNDROKKUWQIEM-SMDDNHRTSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264670900 204067799 /nfs/dbraw/zinc/06/77/99/204067799.db2.gz JGUCPROXTSTKGH-LBPRGKRZSA-N 1 1 306.366 1.781 20 5 DDBDMO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000274879556 212003991 /nfs/dbraw/zinc/00/39/91/212003991.db2.gz HTFCEOYJEXLGRG-SNVBAGLBSA-N 1 1 308.338 1.677 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000266150300 205139670 /nfs/dbraw/zinc/13/96/70/205139670.db2.gz KJWMOLGNRBTUAP-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288397142 220132422 /nfs/dbraw/zinc/13/24/22/220132422.db2.gz LANCHZNUJLCTMQ-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000336858942 249266599 /nfs/dbraw/zinc/26/65/99/249266599.db2.gz CYOFCGGTDQOVNZ-VIFPVBQESA-N 1 1 306.322 1.425 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274031423 211290045 /nfs/dbraw/zinc/29/00/45/211290045.db2.gz QLQDDFJCJZDPDN-CQSZACIVSA-N 1 1 318.377 1.673 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000159523860 197360574 /nfs/dbraw/zinc/36/05/74/197360574.db2.gz ODAYTMWOGXFRQL-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+](CC)CC2)c1[N+](=O)[O-] ZINC000159523860 197360576 /nfs/dbraw/zinc/36/05/76/197360576.db2.gz ODAYTMWOGXFRQL-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000159523860 197360578 /nfs/dbraw/zinc/36/05/78/197360578.db2.gz ODAYTMWOGXFRQL-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159511200 197360112 /nfs/dbraw/zinc/36/01/12/197360112.db2.gz BNGSIJQWKLOQOQ-ZJUUUORDSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159511200 197360114 /nfs/dbraw/zinc/36/01/14/197360114.db2.gz BNGSIJQWKLOQOQ-ZJUUUORDSA-N 1 1 311.338 1.243 20 5 DDBDMO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000105825382 194138034 /nfs/dbraw/zinc/13/80/34/194138034.db2.gz CQQJVZJJQAKOOM-HIFRSBDPSA-N 1 1 307.394 1.872 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000285102151 218291314 /nfs/dbraw/zinc/29/13/14/218291314.db2.gz MBJUIUCZBJMKRT-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791613 194252751 /nfs/dbraw/zinc/25/27/51/194252751.db2.gz RUYWCFUMTFOBIK-GFCCVEGCSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921179 251277673 /nfs/dbraw/zinc/27/76/73/251277673.db2.gz XLEBANITEIXGNR-PWSUYJOCSA-N 1 1 321.333 1.348 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106283 251383526 /nfs/dbraw/zinc/38/35/26/251383526.db2.gz WKAZQVMWPSDXQI-NWDGAFQWSA-N 1 1 306.366 1.321 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000288645824 220318774 /nfs/dbraw/zinc/31/87/74/220318774.db2.gz ZLMKWPBDVAJDTF-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000288645824 220318779 /nfs/dbraw/zinc/31/87/79/220318779.db2.gz ZLMKWPBDVAJDTF-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000274025829 285177328 /nfs/dbraw/zinc/17/73/28/285177328.db2.gz WMZDQTWLXRGZIE-RISCZKNCSA-N 1 1 303.366 1.838 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661543 285205626 /nfs/dbraw/zinc/20/56/26/285205626.db2.gz UALZPJGHNAVZEL-KGLIPLIRSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071336 533328355 /nfs/dbraw/zinc/32/83/55/533328355.db2.gz UMKDNEFYWOJEQQ-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071336 533328367 /nfs/dbraw/zinc/32/83/67/533328367.db2.gz UMKDNEFYWOJEQQ-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000299690375 533547790 /nfs/dbraw/zinc/54/77/90/533547790.db2.gz VWTLYVGPBKJMKC-OLZOCXBDSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000568856995 304316203 /nfs/dbraw/zinc/31/62/03/304316203.db2.gz JDIAPHCBGGXWIN-LBPRGKRZSA-N 1 1 313.304 1.511 20 5 DDBDMO CCCC[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076951312 406975584 /nfs/dbraw/zinc/97/55/84/406975584.db2.gz GFXXQCJNDRKGIH-UHFFFAOYSA-N 1 1 321.377 1.578 20 5 DDBDMO CCCC[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076951266 406976226 /nfs/dbraw/zinc/97/62/26/406976226.db2.gz SNQKTZREWSJCKZ-UHFFFAOYSA-N 1 1 309.366 1.652 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000053349351 407167336 /nfs/dbraw/zinc/16/73/36/407167336.db2.gz ZKSMZHBZXUUALB-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000122383538 407299028 /nfs/dbraw/zinc/29/90/28/407299028.db2.gz HLLLRBSUBOLHMP-LLVKDONJSA-N 1 1 309.370 1.323 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267801 407403700 /nfs/dbraw/zinc/40/37/00/407403700.db2.gz JLSMYSHONQUFFX-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000112309380 407425830 /nfs/dbraw/zinc/42/58/30/407425830.db2.gz ADFWWSRVZWKKAT-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO CCCC[N@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000112309380 407425831 /nfs/dbraw/zinc/42/58/31/407425831.db2.gz ADFWWSRVZWKKAT-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000112309380 407425832 /nfs/dbraw/zinc/42/58/32/407425832.db2.gz ADFWWSRVZWKKAT-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178580355 407499866 /nfs/dbraw/zinc/49/98/66/407499866.db2.gz KQZNJXASPNFUEL-HNNXBMFYSA-N 1 1 304.350 1.884 20 5 DDBDMO COC[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762645 407441784 /nfs/dbraw/zinc/44/17/84/407441784.db2.gz HISXIZFDRNSJKR-OCCSQVGLSA-N 1 1 310.350 1.303 20 5 DDBDMO CN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128243428 407512795 /nfs/dbraw/zinc/51/27/95/407512795.db2.gz QMNJULSZSZJFJZ-UHFFFAOYSA-N 1 1 310.329 1.310 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000171128418 407606961 /nfs/dbraw/zinc/60/69/61/407606961.db2.gz JOHHEZULBPAPOS-UHFFFAOYSA-N 1 1 301.368 1.273 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178866883 407634208 /nfs/dbraw/zinc/63/42/08/407634208.db2.gz DPESEKAWIDKYPG-ZFWWWQNUSA-N 1 1 308.334 1.513 20 5 DDBDMO Cc1ccnc(N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000115519878 407687972 /nfs/dbraw/zinc/68/79/72/407687972.db2.gz WZXBENGNEVUXOB-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272066273 407761884 /nfs/dbraw/zinc/76/18/84/407761884.db2.gz BMKRHOJSSPOLQX-SECBINFHSA-N 1 1 321.362 1.424 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCCn1cc[nH+]c1C ZINC000153669932 407874076 /nfs/dbraw/zinc/87/40/76/407874076.db2.gz MKQGKAUGHOOAAF-UHFFFAOYSA-N 1 1 320.353 1.153 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499376 407949067 /nfs/dbraw/zinc/94/90/67/407949067.db2.gz DLLOUYOSBCQEPA-XQQFMLRXSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499374 407950828 /nfs/dbraw/zinc/95/08/28/407950828.db2.gz DLLOUYOSBCQEPA-RWMBFGLXSA-N 1 1 321.377 1.933 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162284 407922652 /nfs/dbraw/zinc/92/26/52/407922652.db2.gz CZEFGTNBLRUUKA-FZMZJTMJSA-N 1 1 303.362 1.736 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000272570094 407989353 /nfs/dbraw/zinc/98/93/53/407989353.db2.gz CWQLOFHNJHPERV-QWRGUYRKSA-N 1 1 306.366 1.732 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175239103 408085488 /nfs/dbraw/zinc/08/54/88/408085488.db2.gz VPLXMZAZNHIVHC-NSHDSACASA-N 1 1 320.349 1.121 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175239103 408085494 /nfs/dbraw/zinc/08/54/94/408085494.db2.gz VPLXMZAZNHIVHC-NSHDSACASA-N 1 1 320.349 1.121 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171079 408086024 /nfs/dbraw/zinc/08/60/24/408086024.db2.gz KNVDZKVPTDSYKV-QEJZJMRPSA-N 1 1 324.377 1.570 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155564188 408180800 /nfs/dbraw/zinc/18/08/00/408180800.db2.gz XQKQCFZMWYUWDA-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000246398241 408245850 /nfs/dbraw/zinc/24/58/50/408245850.db2.gz FGQZCAKNIMSQHN-ZYHUDNBSSA-N 1 1 306.366 1.589 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175994830 408260622 /nfs/dbraw/zinc/26/06/22/408260622.db2.gz MDXVWLHZKUAQGE-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155951313 408228306 /nfs/dbraw/zinc/22/83/06/408228306.db2.gz LOFZDICNQLRPCR-OAHLLOKOSA-N 1 1 324.377 1.693 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000246747650 408331172 /nfs/dbraw/zinc/33/11/72/408331172.db2.gz NNIFFYSRNKUJNV-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000246747650 408331175 /nfs/dbraw/zinc/33/11/75/408331175.db2.gz NNIFFYSRNKUJNV-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000133103481 162050663 /nfs/dbraw/zinc/05/06/63/162050663.db2.gz BMQRJIFJLYYFPX-CQSZACIVSA-N 1 1 309.322 1.205 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000247301405 408447458 /nfs/dbraw/zinc/44/74/58/408447458.db2.gz PBCGEQMXEZFIFI-GXTWGEPZSA-N 1 1 318.377 1.733 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000274555569 408448760 /nfs/dbraw/zinc/44/87/60/408448760.db2.gz YLLDYAPQSJLIQB-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000183555106 408440001 /nfs/dbraw/zinc/44/00/01/408440001.db2.gz LKYWIPUPRNYJEG-GHMZBOCLSA-N 1 1 307.354 1.936 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247389997 408462521 /nfs/dbraw/zinc/46/25/21/408462521.db2.gz QIDCXTLBTPEKTI-GXTWGEPZSA-N 1 1 305.378 1.982 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000176868370 408463034 /nfs/dbraw/zinc/46/30/34/408463034.db2.gz NKLJEFKFQBVKBO-WDEREUQCSA-N 1 1 306.366 1.732 20 5 DDBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402018 408475966 /nfs/dbraw/zinc/47/59/66/408475966.db2.gz HSGGWECHQXAKEF-YPMHNXCESA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402018 408475971 /nfs/dbraw/zinc/47/59/71/408475971.db2.gz HSGGWECHQXAKEF-YPMHNXCESA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCC[C@@H]21 ZINC000248404803 408561411 /nfs/dbraw/zinc/56/14/11/408561411.db2.gz AIGNUCMCBSSGLY-FAAHXZRKSA-N 1 1 308.382 1.663 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000270544375 408571147 /nfs/dbraw/zinc/57/11/47/408571147.db2.gz LRVNQMSLOGHYKL-CYBMUJFWSA-N 1 1 318.333 1.116 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000270544375 408571152 /nfs/dbraw/zinc/57/11/52/408571152.db2.gz LRVNQMSLOGHYKL-CYBMUJFWSA-N 1 1 318.333 1.116 20 5 DDBDMO COC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248466414 408574184 /nfs/dbraw/zinc/57/41/84/408574184.db2.gz SIPZURBNOKEKJI-UONOGXRCSA-N 1 1 324.377 1.693 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144774 408533750 /nfs/dbraw/zinc/53/37/50/408533750.db2.gz YYCGSTDKPLKFKD-VHSXEESVSA-N 1 1 321.381 1.625 20 5 DDBDMO Cc1ccc(NCCCNC(=O)[C@@H]2CSC[NH2+]2)c([N+](=O)[O-])c1 ZINC000161541069 408612618 /nfs/dbraw/zinc/61/26/18/408612618.db2.gz ZCHKUMGFPPXHED-LBPRGKRZSA-N 1 1 324.406 1.484 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000248784320 408631581 /nfs/dbraw/zinc/63/15/81/408631581.db2.gz XLFIXPBKJDHMEO-LSDHHAIUSA-N 1 1 324.377 1.583 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000248958884 408667966 /nfs/dbraw/zinc/66/79/66/408667966.db2.gz QPTVSRPXTLNHJM-IINYFYTJSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000248958884 408667969 /nfs/dbraw/zinc/66/79/69/408667969.db2.gz QPTVSRPXTLNHJM-IINYFYTJSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162634794 408720590 /nfs/dbraw/zinc/72/05/90/408720590.db2.gz XKDLGVXEIWZEKE-CYBMUJFWSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162634794 408720594 /nfs/dbraw/zinc/72/05/94/408720594.db2.gz XKDLGVXEIWZEKE-CYBMUJFWSA-N 1 1 307.350 1.769 20 5 DDBDMO CN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000265650085 408731443 /nfs/dbraw/zinc/73/14/43/408731443.db2.gz NQUXQIHPOLCOHZ-CYBMUJFWSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000249527346 408737519 /nfs/dbraw/zinc/73/75/19/408737519.db2.gz AGGVRCOBRWMDOF-BZPMIXESSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000249146433 408699257 /nfs/dbraw/zinc/69/92/57/408699257.db2.gz ULPXXBLXQSENTR-GXSJLCMTSA-N 1 1 308.338 1.108 20 5 DDBDMO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185130845 408765208 /nfs/dbraw/zinc/76/52/08/408765208.db2.gz NBERQTNIEKNCIX-FXAINCCUSA-N 1 1 315.333 1.280 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280876165 408851481 /nfs/dbraw/zinc/85/14/81/408851481.db2.gz ZUNTWEIMAUDJGS-BONVTDFDSA-N 1 1 320.349 1.119 20 5 DDBDMO Cc1ccnc(NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281600977 408895166 /nfs/dbraw/zinc/89/51/66/408895166.db2.gz IADAEEADYXXLBI-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)C1 ZINC000281611730 408896682 /nfs/dbraw/zinc/89/66/82/408896682.db2.gz ZEULRBKZEWHTSF-NXEZZACHSA-N 1 1 312.345 1.207 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291757939 408918947 /nfs/dbraw/zinc/91/89/47/408918947.db2.gz UOCMNPPLXIUUFI-MRXNPFEDSA-N 1 1 318.377 1.832 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193652402 163264997 /nfs/dbraw/zinc/26/49/97/163264997.db2.gz XPJPKFKRSZKPJW-TXEJJXNPSA-N 1 1 304.350 1.027 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCO ZINC000281925832 408955348 /nfs/dbraw/zinc/95/53/48/408955348.db2.gz SDYLLMJWPDPTPZ-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286380141 408974055 /nfs/dbraw/zinc/97/40/55/408974055.db2.gz GQCPNUWKIGOSSU-UKRRQHHQSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282094576 408990499 /nfs/dbraw/zinc/99/04/99/408990499.db2.gz OWOJEYKSQXETGV-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037457 409055550 /nfs/dbraw/zinc/05/55/50/409055550.db2.gz BZOGZTXUHWQUBM-ZBFHGGJFSA-N 1 1 324.377 1.441 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](O)CC2)c([N+](=O)[O-])c1 ZINC000293131632 409055777 /nfs/dbraw/zinc/05/57/77/409055777.db2.gz MXEYIXUNUVRPPJ-GFCCVEGCSA-N 1 1 310.350 1.829 20 5 DDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278163265 409075876 /nfs/dbraw/zinc/07/58/76/409075876.db2.gz CGKBLWLXMRMJJC-LBPRGKRZSA-N 1 1 319.409 1.611 20 5 DDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278163260 409076175 /nfs/dbraw/zinc/07/61/75/409076175.db2.gz CGKBLWLXMRMJJC-GFCCVEGCSA-N 1 1 319.409 1.611 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000283411240 409151386 /nfs/dbraw/zinc/15/13/86/409151386.db2.gz HYTWVARPICUUDJ-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO O=c1nc([C@@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000289047482 409211873 /nfs/dbraw/zinc/21/18/73/409211873.db2.gz BWJRJJLBFAOHQQ-LBPRGKRZSA-N 1 1 303.322 1.733 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721281 409425208 /nfs/dbraw/zinc/42/52/08/409425208.db2.gz IAYJDADTFAWPQV-DZGCQCFKSA-N 1 1 307.350 1.086 20 5 DDBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)N1CC[NH+](C)CC1 ZINC000315971642 164020781 /nfs/dbraw/zinc/02/07/81/164020781.db2.gz VHMLGBSBUNAPCE-AWEZNQCLSA-N 1 1 307.398 1.674 20 5 DDBDMO CNc1c(C(=O)NCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000320794416 164042925 /nfs/dbraw/zinc/04/29/25/164042925.db2.gz GJGBFPWCRNFLJF-UHFFFAOYSA-N 1 1 303.322 1.571 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408028979 164202327 /nfs/dbraw/zinc/20/23/27/164202327.db2.gz VMODWNOVYOAALR-RYUDHWBXSA-N 1 1 309.370 1.029 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)CN(C)C ZINC000344855572 409532728 /nfs/dbraw/zinc/53/27/28/409532728.db2.gz GJJFEKCRZUZRGL-LPDYGMJQSA-N 1 1 307.394 1.900 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)nc1 ZINC000331461066 409532850 /nfs/dbraw/zinc/53/28/50/409532850.db2.gz JJJPGOIZHQZKRY-OLZOCXBDSA-N 1 1 306.366 1.903 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356765383 409584171 /nfs/dbraw/zinc/58/41/71/409584171.db2.gz KILOQOKVQZKXNI-ZDUSSCGKSA-N 1 1 322.409 1.876 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452885 409643395 /nfs/dbraw/zinc/64/33/95/409643395.db2.gz QPLOYVQMBSLFLY-WCQYABFASA-N 1 1 319.361 1.573 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000332027109 409814630 /nfs/dbraw/zinc/81/46/30/409814630.db2.gz UHCQXTOZBHWWMH-NEPJUHHUSA-N 1 1 321.381 1.510 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000332027109 409814635 /nfs/dbraw/zinc/81/46/35/409814635.db2.gz UHCQXTOZBHWWMH-NEPJUHHUSA-N 1 1 321.381 1.510 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000354521307 409915517 /nfs/dbraw/zinc/91/55/17/409915517.db2.gz NHZDAZDFWUSWHK-AAEUAGOBSA-N 1 1 315.333 1.146 20 5 DDBDMO C[C@@H](O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000354731845 410045787 /nfs/dbraw/zinc/04/57/87/410045787.db2.gz LQVQSNXHKQEYIB-CYBMUJFWSA-N 1 1 321.377 1.514 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000343034850 410091172 /nfs/dbraw/zinc/09/11/72/410091172.db2.gz BHSHHDXRYNXIFA-NSHDSACASA-N 1 1 307.350 1.300 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000343034850 410091176 /nfs/dbraw/zinc/09/11/76/410091176.db2.gz BHSHHDXRYNXIFA-NSHDSACASA-N 1 1 307.350 1.300 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000298085592 410105476 /nfs/dbraw/zinc/10/54/76/410105476.db2.gz HQAOSMTZCLYWPR-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091608 410108403 /nfs/dbraw/zinc/10/84/03/410108403.db2.gz RZYJRFAKINTBDQ-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091608 410108405 /nfs/dbraw/zinc/10/84/05/410108405.db2.gz RZYJRFAKINTBDQ-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCCC[C@H]1C ZINC000343076663 410125635 /nfs/dbraw/zinc/12/56/35/410125635.db2.gz NHECTAVUUKKFOV-NEPJUHHUSA-N 1 1 308.382 1.926 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCCn2cc[nH+]c2C)c1 ZINC000298521168 410269806 /nfs/dbraw/zinc/26/98/06/410269806.db2.gz TXDUPZLCHBCKAA-UHFFFAOYSA-N 1 1 320.305 1.138 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)CO ZINC000298535606 410279118 /nfs/dbraw/zinc/27/91/18/410279118.db2.gz MOVLKYWXRQEAOV-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C)CC1 ZINC000298638734 410324192 /nfs/dbraw/zinc/32/41/92/410324192.db2.gz OWLFWOPRWHEZMV-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339617410 410331706 /nfs/dbraw/zinc/33/17/06/410331706.db2.gz NIWCFUDNCHPELC-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355084260 410304520 /nfs/dbraw/zinc/30/45/20/410304520.db2.gz XAMSFDHVEFIBBS-INIZCTEOSA-N 1 1 322.361 1.873 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355084260 410304526 /nfs/dbraw/zinc/30/45/26/410304526.db2.gz XAMSFDHVEFIBBS-INIZCTEOSA-N 1 1 322.361 1.873 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355376254 410481090 /nfs/dbraw/zinc/48/10/90/410481090.db2.gz XEPFMWCKHRBWAD-HUUCEWRRSA-N 1 1 319.361 1.530 20 5 DDBDMO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761721 410679057 /nfs/dbraw/zinc/67/90/57/410679057.db2.gz SVXYYAOUBPXEOD-CJNGLKHVSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761721 410679061 /nfs/dbraw/zinc/67/90/61/410679061.db2.gz SVXYYAOUBPXEOD-CJNGLKHVSA-N 1 1 324.377 1.691 20 5 DDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330571997 410788422 /nfs/dbraw/zinc/78/84/22/410788422.db2.gz DKAINMBLKOZFIB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330571997 410788428 /nfs/dbraw/zinc/78/84/28/410788428.db2.gz DKAINMBLKOZFIB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330586592 410801571 /nfs/dbraw/zinc/80/15/71/410801571.db2.gz LTWHXYXSZQRZMB-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000301943197 410833306 /nfs/dbraw/zinc/83/33/06/410833306.db2.gz XYMNQXUWVUXUFE-OCCSQVGLSA-N 1 1 311.313 1.262 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330618868 410833846 /nfs/dbraw/zinc/83/38/46/410833846.db2.gz YUJMBMKAWQWJLW-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000330618868 410833852 /nfs/dbraw/zinc/83/38/52/410833852.db2.gz YUJMBMKAWQWJLW-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c1 ZINC000302230574 410843737 /nfs/dbraw/zinc/84/37/37/410843737.db2.gz RTEWFRVLPPSXBQ-UHFFFAOYSA-N 1 1 300.322 1.415 20 5 DDBDMO C[C@@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343962360 410851411 /nfs/dbraw/zinc/85/14/11/410851411.db2.gz BXKSCESVHMZYQB-ZWNOBZJWSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343962360 410851414 /nfs/dbraw/zinc/85/14/14/410851414.db2.gz BXKSCESVHMZYQB-ZWNOBZJWSA-N 1 1 313.379 1.356 20 5 DDBDMO COc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331053725 410921427 /nfs/dbraw/zinc/92/14/27/410921427.db2.gz JNVHOMPLGILSJB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331053725 410921430 /nfs/dbraw/zinc/92/14/30/410921430.db2.gz JNVHOMPLGILSJB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331211112 411020589 /nfs/dbraw/zinc/02/05/89/411020589.db2.gz IMYITUKZYLKUEO-UHFFFAOYSA-N 1 1 323.397 1.855 20 5 DDBDMO Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000129192526 196027505 /nfs/dbraw/zinc/02/75/05/196027505.db2.gz RGMMVGKBMSTYMA-AWEZNQCLSA-N 1 1 320.393 1.916 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000580660282 422947037 /nfs/dbraw/zinc/94/70/37/422947037.db2.gz YZHRIAPBYPRZAN-NSHDSACASA-N 1 1 301.368 1.021 20 5 DDBDMO Cn1c(Cl)cnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120557896 782021797 /nfs/dbraw/zinc/02/17/97/782021797.db2.gz BZJFYYGUGYEACG-NSHDSACASA-N 1 1 310.741 1.805 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000367 226002006 /nfs/dbraw/zinc/00/20/06/226002006.db2.gz OGAHVCDWMXBZHS-WDEREUQCSA-N 1 1 319.365 1.362 20 5 DDBDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000374018910 418483588 /nfs/dbraw/zinc/48/35/88/418483588.db2.gz QCDWTCAAEFIBHI-NFAWXSAZSA-N 1 1 324.381 1.450 20 5 DDBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000374018910 418483590 /nfs/dbraw/zinc/48/35/90/418483590.db2.gz QCDWTCAAEFIBHI-NFAWXSAZSA-N 1 1 324.381 1.450 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000360757875 418509182 /nfs/dbraw/zinc/50/91/82/418509182.db2.gz ZECXHVLPWAZXEY-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)n1 ZINC000191633042 222106430 /nfs/dbraw/zinc/10/64/30/222106430.db2.gz YSHDXJJSJXCBME-NWDGAFQWSA-N 1 1 323.397 1.614 20 5 DDBDMO CC1(C)OCC(CO)([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CO1 ZINC000291118672 222150390 /nfs/dbraw/zinc/15/03/90/222150390.db2.gz LFWXBGMPDVLVLE-UHFFFAOYSA-N 1 1 314.313 1.338 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361408637 418645080 /nfs/dbraw/zinc/64/50/80/418645080.db2.gz PLLQRABNSLHNKS-GFCCVEGCSA-N 1 1 318.333 1.990 20 5 DDBDMO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000361309789 418623926 /nfs/dbraw/zinc/62/39/26/418623926.db2.gz MTTVHTNQIUPWCJ-AWEZNQCLSA-N 1 1 304.350 1.584 20 5 DDBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000361309789 418623929 /nfs/dbraw/zinc/62/39/29/418623929.db2.gz MTTVHTNQIUPWCJ-AWEZNQCLSA-N 1 1 304.350 1.584 20 5 DDBDMO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399831 418634354 /nfs/dbraw/zinc/63/43/54/418634354.db2.gz AXNSRNNSIYELME-STQMWFEESA-N 1 1 323.397 1.733 20 5 DDBDMO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399831 418634355 /nfs/dbraw/zinc/63/43/55/418634355.db2.gz AXNSRNNSIYELME-STQMWFEESA-N 1 1 323.397 1.733 20 5 DDBDMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400321 418635333 /nfs/dbraw/zinc/63/53/33/418635333.db2.gz BUPXGKJSNJVKFQ-CHWSQXEVSA-N 1 1 323.397 1.684 20 5 DDBDMO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400321 418635337 /nfs/dbraw/zinc/63/53/37/418635337.db2.gz BUPXGKJSNJVKFQ-CHWSQXEVSA-N 1 1 323.397 1.684 20 5 DDBDMO NC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375414055 418637354 /nfs/dbraw/zinc/63/73/54/418637354.db2.gz YGWMNAJERLAMPA-GHMZBOCLSA-N 1 1 317.267 1.690 20 5 DDBDMO NC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375414055 418637356 /nfs/dbraw/zinc/63/73/56/418637356.db2.gz YGWMNAJERLAMPA-GHMZBOCLSA-N 1 1 317.267 1.690 20 5 DDBDMO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000382486484 418731458 /nfs/dbraw/zinc/73/14/58/418731458.db2.gz GTGOHOPRRAUTAQ-IUCAKERBSA-N 1 1 317.342 1.140 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000371212642 418768813 /nfs/dbraw/zinc/76/88/13/418768813.db2.gz MDCIAERFIMMAFQ-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411916388 419481400 /nfs/dbraw/zinc/48/14/00/419481400.db2.gz YORGXYDTGKKMLP-BPNCWPANSA-N 1 1 323.349 1.003 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411916388 419481409 /nfs/dbraw/zinc/48/14/09/419481409.db2.gz YORGXYDTGKKMLP-BPNCWPANSA-N 1 1 323.349 1.003 20 5 DDBDMO Cc1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nc1[N+](=O)[O-] ZINC000421220176 419525719 /nfs/dbraw/zinc/52/57/19/419525719.db2.gz WMFKETWPUJOSST-UHFFFAOYSA-N 1 1 316.361 1.980 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)n1 ZINC000427493198 419672207 /nfs/dbraw/zinc/67/22/07/419672207.db2.gz RRDPVDWHKWOOFL-LLVKDONJSA-N 1 1 309.370 1.223 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)n1 ZINC000427493198 419672213 /nfs/dbraw/zinc/67/22/13/419672213.db2.gz RRDPVDWHKWOOFL-LLVKDONJSA-N 1 1 309.370 1.223 20 5 DDBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421703783 419686715 /nfs/dbraw/zinc/68/67/15/419686715.db2.gz NAJBVFHIGVKWHZ-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996943 420041938 /nfs/dbraw/zinc/04/19/38/420041938.db2.gz FSHWWNFVEOOGTB-NXEZZACHSA-N 1 1 312.345 1.207 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996943 420041942 /nfs/dbraw/zinc/04/19/42/420041942.db2.gz FSHWWNFVEOOGTB-NXEZZACHSA-N 1 1 312.345 1.207 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416494278 420392699 /nfs/dbraw/zinc/39/26/99/420392699.db2.gz IFBPDHFAUPNDBA-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000446061669 230223060 /nfs/dbraw/zinc/22/30/60/230223060.db2.gz RCNGODKAIKJIBX-SYQHCUMBSA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000446061669 230223065 /nfs/dbraw/zinc/22/30/65/230223065.db2.gz RCNGODKAIKJIBX-SYQHCUMBSA-N 1 1 324.377 1.832 20 5 DDBDMO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000457091916 420606742 /nfs/dbraw/zinc/60/67/42/420606742.db2.gz NCESVUBDLGOOMX-GFCCVEGCSA-N 1 1 307.350 1.855 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000457091916 420606745 /nfs/dbraw/zinc/60/67/45/420606745.db2.gz NCESVUBDLGOOMX-GFCCVEGCSA-N 1 1 307.350 1.855 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457024176 420589934 /nfs/dbraw/zinc/58/99/34/420589934.db2.gz OEMUMFXBRNVOFY-LBPRGKRZSA-N 1 1 301.306 1.105 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457097816 420612875 /nfs/dbraw/zinc/61/28/75/420612875.db2.gz LDOXRAZDETWXRL-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457097816 420612877 /nfs/dbraw/zinc/61/28/77/420612877.db2.gz LDOXRAZDETWXRL-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000452973685 420692383 /nfs/dbraw/zinc/69/23/83/420692383.db2.gz KHZMSAZXLRTBOF-RISCZKNCSA-N 1 1 307.325 1.439 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)[C@H]3CCCO3)nc2c1 ZINC000447902563 420813360 /nfs/dbraw/zinc/81/33/60/420813360.db2.gz FKGKRJNAFDZGLW-NWDGAFQWSA-N 1 1 307.306 1.366 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)o2)c1 ZINC000459694208 420849595 /nfs/dbraw/zinc/84/95/95/420849595.db2.gz GDAOKEYKYPTNSD-SWLSCSKDSA-N 1 1 318.329 1.640 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000448982439 420928601 /nfs/dbraw/zinc/92/86/01/420928601.db2.gz XHDBVFXBJKGNDA-UHFFFAOYSA-N 1 1 313.329 1.813 20 5 DDBDMO Cc1ccc(CNC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449387360 421001778 /nfs/dbraw/zinc/00/17/78/421001778.db2.gz LDVDOKAWWRTBAU-OAHLLOKOSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1ccc(CNC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449387360 421001783 /nfs/dbraw/zinc/00/17/83/421001783.db2.gz LDVDOKAWWRTBAU-OAHLLOKOSA-N 1 1 307.394 1.840 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000449576333 421031100 /nfs/dbraw/zinc/03/11/00/421031100.db2.gz RTGBMYCVDZHSQW-ZDUSSCGKSA-N 1 1 314.292 1.090 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000549638910 421504173 /nfs/dbraw/zinc/50/41/73/421504173.db2.gz DGQTZCHJUUJBLG-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000549638910 421504175 /nfs/dbraw/zinc/50/41/75/421504175.db2.gz DGQTZCHJUUJBLG-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000553544879 421619388 /nfs/dbraw/zinc/61/93/88/421619388.db2.gz OKQUGQJDPCUPAD-SECBINFHSA-N 1 1 303.322 1.751 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000569019763 421624416 /nfs/dbraw/zinc/62/44/16/421624416.db2.gz OJJQZOPFZDXZAL-NSHDSACASA-N 1 1 321.381 1.636 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000555762503 421690335 /nfs/dbraw/zinc/69/03/35/421690335.db2.gz SKVXZIHZEGMDDH-LBPRGKRZSA-N 1 1 322.365 1.221 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571541933 421725505 /nfs/dbraw/zinc/72/55/05/421725505.db2.gz BOJZXXUGUOASSU-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000539023426 421746508 /nfs/dbraw/zinc/74/65/08/421746508.db2.gz CZSGZSVCBUALRO-UHFFFAOYSA-N 1 1 309.370 1.275 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCCN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572194387 421768565 /nfs/dbraw/zinc/76/85/65/421768565.db2.gz XYPCWAOPYOGXJE-UHFFFAOYSA-N 1 1 317.349 1.519 20 5 DDBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334218 421769148 /nfs/dbraw/zinc/76/91/48/421769148.db2.gz DAFPTFBAUJWPAX-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334218 421769150 /nfs/dbraw/zinc/76/91/50/421769150.db2.gz DAFPTFBAUJWPAX-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334218 421769154 /nfs/dbraw/zinc/76/91/54/421769154.db2.gz DAFPTFBAUJWPAX-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395925 421784569 /nfs/dbraw/zinc/78/45/69/421784569.db2.gz OXPXGHVEKIQFEQ-CQSZACIVSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395925 421784571 /nfs/dbraw/zinc/78/45/71/421784571.db2.gz OXPXGHVEKIQFEQ-CQSZACIVSA-N 1 1 320.393 1.949 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577817921 422432993 /nfs/dbraw/zinc/43/29/93/422432993.db2.gz HRKOQQKWWFOWGU-UHFFFAOYSA-N 1 1 307.335 1.342 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597860962 422392253 /nfs/dbraw/zinc/39/22/53/422392253.db2.gz QJOFBPKBEAYUJV-VIFPVBQESA-N 1 1 307.354 1.175 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000578160507 422512198 /nfs/dbraw/zinc/51/21/98/422512198.db2.gz LUMBCZVYLRHWHR-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000341772127 271206936 /nfs/dbraw/zinc/20/69/36/271206936.db2.gz MUVXKRORYVVYFJ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000341772127 271206937 /nfs/dbraw/zinc/20/69/37/271206937.db2.gz MUVXKRORYVVYFJ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344618702 272072000 /nfs/dbraw/zinc/07/20/00/272072000.db2.gz PSFYCCFLWSFHBT-LLVKDONJSA-N 1 1 323.397 1.731 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000345913768 272363644 /nfs/dbraw/zinc/36/36/44/272363644.db2.gz WANITMJPBZLHSB-QWRGUYRKSA-N 1 1 309.370 1.041 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345971486 272379343 /nfs/dbraw/zinc/37/93/43/272379343.db2.gz VEPSMEUYDGFAGB-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO CCOCC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153718962 273699962 /nfs/dbraw/zinc/69/99/62/273699962.db2.gz HTCZYRDGZMIXJH-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCO ZINC000432169837 274366221 /nfs/dbraw/zinc/36/62/21/274366221.db2.gz NEYZOLLTTSKBTA-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO COC(=O)[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413508299 277362862 /nfs/dbraw/zinc/36/28/62/277362862.db2.gz XIOQXUORHFIXGK-GFCCVEGCSA-N 1 1 307.350 1.444 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000247019086 282029218 /nfs/dbraw/zinc/02/92/18/282029218.db2.gz LSBBIXZBEFWHTH-GXTWGEPZSA-N 1 1 310.350 1.303 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363026610 300200482 /nfs/dbraw/zinc/20/04/82/300200482.db2.gz JVZMEJZCHFFVGX-HIFRSBDPSA-N 1 1 303.362 1.880 20 5 DDBDMO CC(C)OC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364324177 300376212 /nfs/dbraw/zinc/37/62/12/300376212.db2.gz LIWRERDPRKHYBO-LBPRGKRZSA-N 1 1 310.354 1.770 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368458389 301032519 /nfs/dbraw/zinc/03/25/19/301032519.db2.gz OBFDXTDCDNPENG-OAHLLOKOSA-N 1 1 321.377 1.363 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587548 301058467 /nfs/dbraw/zinc/05/84/67/301058467.db2.gz DACMUPGTYLDVJN-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587548 301058469 /nfs/dbraw/zinc/05/84/69/301058469.db2.gz DACMUPGTYLDVJN-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000368587548 301058472 /nfs/dbraw/zinc/05/84/72/301058472.db2.gz DACMUPGTYLDVJN-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369334506 301166947 /nfs/dbraw/zinc/16/69/47/301166947.db2.gz GBDQBFXRUNEDQX-UHFFFAOYSA-N 1 1 309.370 1.126 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000370055776 301267723 /nfs/dbraw/zinc/26/77/23/301267723.db2.gz MYYFBSUGLAEDII-GFCCVEGCSA-N 1 1 323.397 1.013 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372933795 301633162 /nfs/dbraw/zinc/63/31/62/301633162.db2.gz QQRQIOYPVFIMLG-GJZGRUSLSA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1C[N@H+](C)CCN1C ZINC000531970540 303268268 /nfs/dbraw/zinc/26/82/68/303268268.db2.gz CRTUHCUNKJGXHM-HIFRSBDPSA-N 1 1 306.410 1.800 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143143 303277154 /nfs/dbraw/zinc/27/71/54/303277154.db2.gz ILDQSLNUEIAVRC-LBPRGKRZSA-N 1 1 306.366 1.936 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532311601 303282347 /nfs/dbraw/zinc/28/23/47/303282347.db2.gz AYXOSJNZTDWXIW-LBPRGKRZSA-N 1 1 308.382 1.641 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000534338944 303332043 /nfs/dbraw/zinc/33/20/43/303332043.db2.gz GVUNNXQILANMBS-NWDGAFQWSA-N 1 1 321.377 1.697 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000535329640 303346377 /nfs/dbraw/zinc/34/63/77/303346377.db2.gz LCAKEPIYPUUSNZ-UHFFFAOYSA-N 1 1 321.333 1.144 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000362390961 307020407 /nfs/dbraw/zinc/02/04/07/307020407.db2.gz FUYZOLMYNROSRX-OAHLLOKOSA-N 1 1 302.334 1.252 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000366584304 307076846 /nfs/dbraw/zinc/07/68/46/307076846.db2.gz FIBVPLVQBQOHHL-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000366584304 307076847 /nfs/dbraw/zinc/07/68/47/307076847.db2.gz FIBVPLVQBQOHHL-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090194 307085514 /nfs/dbraw/zinc/08/55/14/307085514.db2.gz VZMBTHBYAXXROO-LBPRGKRZSA-N 1 1 318.381 1.517 20 5 DDBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090194 307085515 /nfs/dbraw/zinc/08/55/15/307085515.db2.gz VZMBTHBYAXXROO-LBPRGKRZSA-N 1 1 318.381 1.517 20 5 DDBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000372087788 307163033 /nfs/dbraw/zinc/16/30/33/307163033.db2.gz GSTZMEXQAHWQNY-LBPRGKRZSA-N 1 1 321.377 1.942 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373269965 307183162 /nfs/dbraw/zinc/18/31/62/307183162.db2.gz IPWYIMZGESAPDA-CQSZACIVSA-N 1 1 307.306 1.850 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373269965 307183163 /nfs/dbraw/zinc/18/31/63/307183163.db2.gz IPWYIMZGESAPDA-CQSZACIVSA-N 1 1 307.306 1.850 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373514603 307189626 /nfs/dbraw/zinc/18/96/26/307189626.db2.gz UYZVHVCRXBTXFZ-GWCFXTLKSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373514603 307189627 /nfs/dbraw/zinc/18/96/27/307189627.db2.gz UYZVHVCRXBTXFZ-GWCFXTLKSA-N 1 1 305.334 1.379 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000510145122 307398816 /nfs/dbraw/zinc/39/88/16/307398816.db2.gz QQZUTWDZULVTBZ-TXEJJXNPSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000510145122 307398818 /nfs/dbraw/zinc/39/88/18/307398818.db2.gz QQZUTWDZULVTBZ-TXEJJXNPSA-N 1 1 307.350 1.951 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000567345835 308078739 /nfs/dbraw/zinc/07/87/39/308078739.db2.gz VTVMCALZTVGXPL-UMVBOHGHSA-N 1 1 323.393 1.407 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569805245 308149783 /nfs/dbraw/zinc/14/97/83/308149783.db2.gz QYIGVLBVDZLTKC-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000574228350 308265823 /nfs/dbraw/zinc/26/58/23/308265823.db2.gz ZBXWQMNEJKGHPQ-IUODEOHRSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000574228350 308265824 /nfs/dbraw/zinc/26/58/24/308265824.db2.gz ZBXWQMNEJKGHPQ-IUODEOHRSA-N 1 1 324.377 1.557 20 5 DDBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1COC1 ZINC000451284648 528475023 /nfs/dbraw/zinc/47/50/23/528475023.db2.gz JWJXFIAYRIROBD-UHFFFAOYSA-N 1 1 321.333 1.614 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000443956867 528938307 /nfs/dbraw/zinc/93/83/07/528938307.db2.gz DOYVDBKEOVXUFJ-UHFFFAOYSA-N 1 1 321.381 1.623 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000112928984 696653634 /nfs/dbraw/zinc/65/36/34/696653634.db2.gz BTXKWHGWCMUHTA-UHFFFAOYSA-N 1 1 323.349 1.243 20 5 DDBDMO CCOC(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCC ZINC000124994207 696748198 /nfs/dbraw/zinc/74/81/98/696748198.db2.gz VAUTUHLBYRFDBB-LBPRGKRZSA-N 1 1 324.381 1.875 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000799179865 700126678 /nfs/dbraw/zinc/12/66/78/700126678.db2.gz ZTBZGQUGFDAXPJ-XBFCOCLRSA-N 1 1 321.333 1.059 20 5 DDBDMO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764750 698558220 /nfs/dbraw/zinc/55/82/20/698558220.db2.gz PVXHBMAJFBIZAR-HIFRSBDPSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765200 698558565 /nfs/dbraw/zinc/55/85/65/698558565.db2.gz WYDDVCKNDXLRGL-HIFRSBDPSA-N 1 1 315.377 1.711 20 5 DDBDMO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786893830 699177320 /nfs/dbraw/zinc/17/73/20/699177320.db2.gz XKCGNMCHYNBHNW-ZDUSSCGKSA-N 1 1 322.365 1.742 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705386550 699240809 /nfs/dbraw/zinc/24/08/09/699240809.db2.gz HSJZUYMHOXTWRB-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705386550 699240811 /nfs/dbraw/zinc/24/08/11/699240811.db2.gz HSJZUYMHOXTWRB-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000788002908 699265974 /nfs/dbraw/zinc/26/59/74/699265974.db2.gz CNNFZTAOUPGYBJ-UHFFFAOYSA-N 1 1 305.313 1.779 20 5 DDBDMO C[N@@H+](CC1CC1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586342 699369103 /nfs/dbraw/zinc/36/91/03/699369103.db2.gz WLIRFIUHVDDKTJ-UHFFFAOYSA-N 1 1 318.333 1.663 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794709144 699826257 /nfs/dbraw/zinc/82/62/57/699826257.db2.gz CQBLKGSHFSOTSU-AWEZNQCLSA-N 1 1 303.322 1.099 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794964467 699838120 /nfs/dbraw/zinc/83/81/20/699838120.db2.gz RAZKJEKSQNRBHP-YABSGUDNSA-N 1 1 306.318 1.324 20 5 DDBDMO CO[C@H](C)C[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000795751074 699889494 /nfs/dbraw/zinc/88/94/94/699889494.db2.gz VLAISABETZSMLS-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000795751074 699889497 /nfs/dbraw/zinc/88/94/97/699889497.db2.gz VLAISABETZSMLS-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000762814237 700908353 /nfs/dbraw/zinc/90/83/53/700908353.db2.gz BFZJTXSPQZFYPV-MRVPVSSYSA-N 1 1 321.362 1.376 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000762814237 700908354 /nfs/dbraw/zinc/90/83/54/700908354.db2.gz BFZJTXSPQZFYPV-MRVPVSSYSA-N 1 1 321.362 1.376 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839524541 701723989 /nfs/dbraw/zinc/72/39/89/701723989.db2.gz MBOLJWVVDLJXAC-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839524541 701723997 /nfs/dbraw/zinc/72/39/97/701723997.db2.gz MBOLJWVVDLJXAC-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839524541 701723999 /nfs/dbraw/zinc/72/39/99/701723999.db2.gz MBOLJWVVDLJXAC-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568218 701739363 /nfs/dbraw/zinc/73/93/63/701739363.db2.gz OBYUGTCXURKAEV-SPWCGHHHSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568218 701739368 /nfs/dbraw/zinc/73/93/68/701739368.db2.gz OBYUGTCXURKAEV-SPWCGHHHSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568218 701739374 /nfs/dbraw/zinc/73/93/74/701739374.db2.gz OBYUGTCXURKAEV-SPWCGHHHSA-N 1 1 303.362 1.603 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839671024 701776149 /nfs/dbraw/zinc/77/61/49/701776149.db2.gz XXRQWNAXSOWXOL-DZGCQCFKSA-N 1 1 321.377 1.617 20 5 DDBDMO C[C@@H]1CSCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927795 701835027 /nfs/dbraw/zinc/83/50/27/701835027.db2.gz OMWUBFXVHLOEEN-QMTHXVAHSA-N 1 1 309.391 1.733 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879245410 706627590 /nfs/dbraw/zinc/62/75/90/706627590.db2.gz XLWALMHTLCZDBB-HZPDHXFCSA-N 1 1 316.361 1.989 20 5 DDBDMO Cc1nn(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000840085367 701959297 /nfs/dbraw/zinc/95/92/97/701959297.db2.gz DATOHZGAJRIAAR-HNNXBMFYSA-N 1 1 307.398 1.783 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000840136537 701990506 /nfs/dbraw/zinc/99/05/06/701990506.db2.gz ZSJNZYXXPBBZHX-ABAIWWIYSA-N 1 1 301.350 1.538 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879271759 706636160 /nfs/dbraw/zinc/63/61/60/706636160.db2.gz ZKOUDBYYZSQTNY-UHFFFAOYSA-N 1 1 321.333 1.192 20 5 DDBDMO COC(=O)[C@@H]1CN(c2ccc(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840361690 702083775 /nfs/dbraw/zinc/08/37/75/702083775.db2.gz ZKTSIJJHWYKGBP-LBPRGKRZSA-N 1 1 307.350 1.444 20 5 DDBDMO COC(=O)Cc1ccc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000817131926 702281592 /nfs/dbraw/zinc/28/15/92/702281592.db2.gz VRBFMCINBWHEHF-CYBMUJFWSA-N 1 1 321.377 1.841 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000817489880 702390668 /nfs/dbraw/zinc/39/06/68/702390668.db2.gz HWTAYIDIUISLHH-LLVKDONJSA-N 1 1 322.321 1.669 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000817489881 702391342 /nfs/dbraw/zinc/39/13/42/702391342.db2.gz HWTAYIDIUISLHH-NSHDSACASA-N 1 1 322.321 1.669 20 5 DDBDMO COCCCC[N@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000841692455 702540742 /nfs/dbraw/zinc/54/07/42/702540742.db2.gz QPNONFMCOYSVSM-UHFFFAOYSA-N 1 1 309.322 1.819 20 5 DDBDMO COCCCC[N@@H+](C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000841692455 702540748 /nfs/dbraw/zinc/54/07/48/702540748.db2.gz QPNONFMCOYSVSM-UHFFFAOYSA-N 1 1 309.322 1.819 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564387 706718783 /nfs/dbraw/zinc/71/87/83/706718783.db2.gz ZQNKABISTZYTBL-NWDGAFQWSA-N 1 1 309.391 1.441 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540342 706724527 /nfs/dbraw/zinc/72/45/27/706724527.db2.gz LYAKAWKTDUMUGS-IINYFYTJSA-N 1 1 321.352 1.875 20 5 DDBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000848518516 703560377 /nfs/dbraw/zinc/56/03/77/703560377.db2.gz KRVCARVVVUYWBQ-JIMOISOXSA-N 1 1 318.333 1.855 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848788546 703589314 /nfs/dbraw/zinc/58/93/14/703589314.db2.gz ZLHDTVUZSHVMGT-UHFFFAOYSA-N 1 1 319.321 1.714 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000879686201 706758980 /nfs/dbraw/zinc/75/89/80/706758980.db2.gz VUNHUAHVVPIVRL-NSHDSACASA-N 1 1 317.349 1.642 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801142 703854854 /nfs/dbraw/zinc/85/48/54/703854854.db2.gz FGDYLNBIFMJXDH-SLBVQIDZSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801142 703854855 /nfs/dbraw/zinc/85/48/55/703854855.db2.gz FGDYLNBIFMJXDH-SLBVQIDZSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801142 703854858 /nfs/dbraw/zinc/85/48/58/703854858.db2.gz FGDYLNBIFMJXDH-SLBVQIDZSA-N 1 1 317.389 1.536 20 5 DDBDMO CC1(C)OC[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843156 703868686 /nfs/dbraw/zinc/86/86/86/703868686.db2.gz ATWWYMWDOLCOQL-WCQYABFASA-N 1 1 322.365 1.628 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000818585725 703931565 /nfs/dbraw/zinc/93/15/65/703931565.db2.gz NSCHDZWIMICSSO-JTQLQIEISA-N 1 1 319.695 1.927 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000852298783 704001348 /nfs/dbraw/zinc/00/13/48/704001348.db2.gz HZFSKBDDKVKRFH-UHFFFAOYSA-N 1 1 317.345 1.843 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCn2ccnc21 ZINC000819337787 704109555 /nfs/dbraw/zinc/10/95/55/704109555.db2.gz PHCQPLBIQNUYBF-RYUDHWBXSA-N 1 1 318.333 1.266 20 5 DDBDMO CC(C)N1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870863486 704148701 /nfs/dbraw/zinc/14/87/01/704148701.db2.gz KGUUVMHNFMOROR-MRXNPFEDSA-N 1 1 320.393 1.321 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000870885057 704157189 /nfs/dbraw/zinc/15/71/89/704157189.db2.gz AGLRRNHDFYEVGA-SGIREYDYSA-N 1 1 321.377 1.795 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853513119 704255695 /nfs/dbraw/zinc/25/56/95/704255695.db2.gz VAHUMNSRBDOHNO-TXEJJXNPSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853513119 704255698 /nfs/dbraw/zinc/25/56/98/704255698.db2.gz VAHUMNSRBDOHNO-TXEJJXNPSA-N 1 1 317.349 1.920 20 5 DDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000854495679 704407830 /nfs/dbraw/zinc/40/78/30/704407830.db2.gz QLSCNQAGUQAVJM-SNVBAGLBSA-N 1 1 315.333 1.883 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855285640 704477259 /nfs/dbraw/zinc/47/72/59/704477259.db2.gz HLZFOLXZGDWMJX-VIFPVBQESA-N 1 1 307.354 1.175 20 5 DDBDMO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000858601455 704732991 /nfs/dbraw/zinc/73/29/91/704732991.db2.gz YXOORQCVCJOCMP-UHFFFAOYSA-N 1 1 322.321 1.778 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000859888456 705031213 /nfs/dbraw/zinc/03/12/13/705031213.db2.gz CTVTWRWJGBRGTR-DQMOJMCFSA-N 1 1 324.402 1.614 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069117 705129823 /nfs/dbraw/zinc/12/98/23/705129823.db2.gz FJFIMERZTWFFIF-LURJTMIESA-N 1 1 312.307 1.659 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179358 705163308 /nfs/dbraw/zinc/16/33/08/705163308.db2.gz MBSPJRJIJYEQHA-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179358 705163309 /nfs/dbraw/zinc/16/33/09/705163309.db2.gz MBSPJRJIJYEQHA-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179358 705163310 /nfs/dbraw/zinc/16/33/10/705163310.db2.gz MBSPJRJIJYEQHA-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850682 705203414 /nfs/dbraw/zinc/20/34/14/705203414.db2.gz VUUDOEHAABRUPN-LSDHHAIUSA-N 1 1 303.362 1.832 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933803 705341674 /nfs/dbraw/zinc/34/16/74/705341674.db2.gz WSPGPHDGCGSROW-LLVKDONJSA-N 1 1 307.354 1.735 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000823933351 705341852 /nfs/dbraw/zinc/34/18/52/705341852.db2.gz PIJNLFMEDBBLBV-HNNXBMFYSA-N 1 1 319.365 1.737 20 5 DDBDMO CC[N@@H+](CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000823997762 705351176 /nfs/dbraw/zinc/35/11/76/705351176.db2.gz HHAKODTWYJMATJ-UHFFFAOYSA-N 1 1 307.354 1.783 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000876172442 705647587 /nfs/dbraw/zinc/64/75/87/705647587.db2.gz VYPWGGDWVPOVSS-UHFFFAOYSA-N 1 1 306.366 1.750 20 5 DDBDMO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000825664406 705710626 /nfs/dbraw/zinc/71/06/26/705710626.db2.gz FAAVRXXHNGPZMH-HZMBPMFUSA-N 1 1 307.350 1.227 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970059 705752945 /nfs/dbraw/zinc/75/29/45/705752945.db2.gz USNJYLOMLVRRAR-SWLSCSKDSA-N 1 1 321.377 1.428 20 5 DDBDMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)CC1(C)COC1 ZINC000863298747 705894660 /nfs/dbraw/zinc/89/46/60/705894660.db2.gz MBSZEHVLAXIYOL-UHFFFAOYSA-N 1 1 317.349 1.779 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000827234539 705957301 /nfs/dbraw/zinc/95/73/01/705957301.db2.gz YIUJSOWODZCCQP-GXTWGEPZSA-N 1 1 321.352 1.829 20 5 DDBDMO C[N@H+]1CC[C@@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875786 706230156 /nfs/dbraw/zinc/23/01/56/706230156.db2.gz RQLYKLFSRBTRLW-DOMZBBRYSA-N 1 1 318.333 1.066 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000879925017 706821194 /nfs/dbraw/zinc/82/11/94/706821194.db2.gz ZCEOKBCAMZPQIU-UHFFFAOYSA-N 1 1 323.349 1.493 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136797 706888080 /nfs/dbraw/zinc/88/80/80/706888080.db2.gz SGDINAJZXIAXOI-XHSDSOJGSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136797 706888081 /nfs/dbraw/zinc/88/80/81/706888081.db2.gz SGDINAJZXIAXOI-XHSDSOJGSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136797 706888082 /nfs/dbraw/zinc/88/80/82/706888082.db2.gz SGDINAJZXIAXOI-XHSDSOJGSA-N 1 1 305.378 1.797 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000882483095 707653257 /nfs/dbraw/zinc/65/32/57/707653257.db2.gz QUHQNFUGDKADNU-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000837478086 707659570 /nfs/dbraw/zinc/65/95/70/707659570.db2.gz SNEBUNMUULEAOB-CYBMUJFWSA-N 1 1 324.381 1.988 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000882491504 707662420 /nfs/dbraw/zinc/66/24/20/707662420.db2.gz GTOPKTBKRYTEHX-GFCCVEGCSA-N 1 1 307.350 1.492 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882495372 707665849 /nfs/dbraw/zinc/66/58/49/707665849.db2.gz YHLZDHWDSQPEMX-CQSZACIVSA-N 1 1 319.361 1.768 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000882495372 707665852 /nfs/dbraw/zinc/66/58/52/707665852.db2.gz YHLZDHWDSQPEMX-CQSZACIVSA-N 1 1 319.361 1.768 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC000897221939 708259593 /nfs/dbraw/zinc/25/95/93/708259593.db2.gz QOMCJTZXKNQCEC-CHWSQXEVSA-N 1 1 306.366 1.334 20 5 DDBDMO CC1(C)CC[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000897249092 708268654 /nfs/dbraw/zinc/26/86/54/708268654.db2.gz LRGXXUHCPBAKCF-UHFFFAOYSA-N 1 1 304.354 1.781 20 5 DDBDMO C[N@@H+](CCO)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000884826290 708388949 /nfs/dbraw/zinc/38/89/49/708388949.db2.gz VOBJWKJMZNWBEU-UHFFFAOYSA-N 1 1 307.272 1.950 20 5 DDBDMO C/C(=C/C(=O)N(C)CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000912605268 713045296 /nfs/dbraw/zinc/04/52/96/713045296.db2.gz LBKRBOFWQWUPJC-SEYXRHQNSA-N 1 1 321.377 1.381 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980286 708675660 /nfs/dbraw/zinc/67/56/60/708675660.db2.gz XXJRVNAKPZMFNO-ZDUSSCGKSA-N 1 1 320.393 1.974 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980286 708675662 /nfs/dbraw/zinc/67/56/62/708675662.db2.gz XXJRVNAKPZMFNO-ZDUSSCGKSA-N 1 1 320.393 1.974 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887924531 709165128 /nfs/dbraw/zinc/16/51/28/709165128.db2.gz OSNCCZIYIKOEGD-XPKDYRNWSA-N 1 1 319.361 1.038 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000912861294 713109992 /nfs/dbraw/zinc/10/99/92/713109992.db2.gz KOUVPGHPNIEWIO-UHFFFAOYSA-N 1 1 307.379 1.628 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000910286378 709866790 /nfs/dbraw/zinc/86/67/90/709866790.db2.gz AANMWWMHJDDIEK-JTQLQIEISA-N 1 1 309.370 1.193 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000928431803 713192880 /nfs/dbraw/zinc/19/28/80/713192880.db2.gz HAPXCSUVRZWZBK-KCJUWKMLSA-N 1 1 311.313 1.565 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000928434472 713194510 /nfs/dbraw/zinc/19/45/10/713194510.db2.gz DZEZKJQHPJYNKJ-WPRPVWTQSA-N 1 1 307.306 1.146 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC000928438604 713195855 /nfs/dbraw/zinc/19/58/55/713195855.db2.gz GIDSEGYKKFEHRN-SKDRFNHKSA-N 1 1 324.356 1.622 20 5 DDBDMO COc1c(O)ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000895013940 711368568 /nfs/dbraw/zinc/36/85/68/711368568.db2.gz ZNCWXWGNECFSLB-WCQYABFASA-N 1 1 321.377 1.835 20 5 DDBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895776592 711603971 /nfs/dbraw/zinc/60/39/71/711603971.db2.gz KNLBFGQWGJWFEQ-LBPRGKRZSA-N 1 1 306.366 1.849 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000895776366 711604089 /nfs/dbraw/zinc/60/40/89/711604089.db2.gz HUNLXVVCAHWUHM-GFCCVEGCSA-N 1 1 304.350 1.603 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000913933988 713321859 /nfs/dbraw/zinc/32/18/59/713321859.db2.gz YCFXHZKTPVRYJD-NSHDSACASA-N 1 1 307.354 1.010 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000914290939 713371504 /nfs/dbraw/zinc/37/15/04/713371504.db2.gz FIQKQXVWVFYDJR-GWCFXTLKSA-N 1 1 322.365 1.495 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000929626563 713654158 /nfs/dbraw/zinc/65/41/58/713654158.db2.gz ANRDCQWHCDNRBZ-LLVKDONJSA-N 1 1 322.283 1.654 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000929626563 713654161 /nfs/dbraw/zinc/65/41/61/713654161.db2.gz ANRDCQWHCDNRBZ-LLVKDONJSA-N 1 1 322.283 1.654 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619596 713879126 /nfs/dbraw/zinc/87/91/26/713879126.db2.gz WTVCTQLUOLWRDV-LLVKDONJSA-N 1 1 307.354 1.358 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000923315323 714309033 /nfs/dbraw/zinc/30/90/33/714309033.db2.gz HJNJXAVMBZPZIC-QWHCGFSZSA-N 1 1 319.361 1.669 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNCC[NH2+]CC1 ZINC000923461892 714363907 /nfs/dbraw/zinc/36/39/07/714363907.db2.gz YGHCWOYKPURSBI-UHFFFAOYSA-N 1 1 322.409 1.377 20 5 DDBDMO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000933281617 714553483 /nfs/dbraw/zinc/55/34/83/714553483.db2.gz HUHKYWINLXBAIS-AWEZNQCLSA-N 1 1 321.377 1.998 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC001120921986 782236804 /nfs/dbraw/zinc/23/68/04/782236804.db2.gz FZYWWZUJUTUFHW-HBNTYKKESA-N 1 1 302.338 1.390 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001121198266 782405152 /nfs/dbraw/zinc/40/51/52/782405152.db2.gz GKCMRVLRHFYRKH-MELADBBJSA-N 1 1 303.362 1.594 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775613 736853561 /nfs/dbraw/zinc/85/35/61/736853561.db2.gz IPBHALIYZDYAOJ-QMIVOQANSA-N 1 1 305.378 1.198 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775613 736853564 /nfs/dbraw/zinc/85/35/64/736853564.db2.gz IPBHALIYZDYAOJ-QMIVOQANSA-N 1 1 305.378 1.198 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775613 736853569 /nfs/dbraw/zinc/85/35/69/736853569.db2.gz IPBHALIYZDYAOJ-QMIVOQANSA-N 1 1 305.378 1.198 20 5 DDBDMO COc1nc(C)nc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC001167832494 738953566 /nfs/dbraw/zinc/95/35/66/738953566.db2.gz HIVSNWCFHBQEOL-UHFFFAOYSA-N 1 1 313.383 1.163 20 5 DDBDMO N=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001167878801 739168741 /nfs/dbraw/zinc/16/87/41/739168741.db2.gz POHAFSMLGIEPAC-UHFFFAOYSA-N 1 1 320.275 1.684 20 5 DDBDMO C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000697579785 742099267 /nfs/dbraw/zinc/09/92/67/742099267.db2.gz NHDGRMSDNGPUQV-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC([NH2+]C2COC2)C1 ZINC001187724943 744597133 /nfs/dbraw/zinc/59/71/33/744597133.db2.gz UZZSRQDVIVAEHP-UHFFFAOYSA-N 1 1 317.267 1.791 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897166 746231106 /nfs/dbraw/zinc/23/11/06/746231106.db2.gz BKEPZGVATJVOPQ-QWRGUYRKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001196675128 746932804 /nfs/dbraw/zinc/93/28/04/746932804.db2.gz LCSMLUJYNVFPIH-NRUUGDAUSA-N 1 1 319.317 1.027 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001196675128 746932806 /nfs/dbraw/zinc/93/28/06/746932806.db2.gz LCSMLUJYNVFPIH-NRUUGDAUSA-N 1 1 319.317 1.027 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CCCCCC1 ZINC001124631785 748375169 /nfs/dbraw/zinc/37/51/69/748375169.db2.gz QJSGAFIUFPMOCG-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429646 749587926 /nfs/dbraw/zinc/58/79/26/749587926.db2.gz QSWFTKAXNLDXQN-UKRRQHHQSA-N 1 1 318.377 1.136 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057454 762210733 /nfs/dbraw/zinc/21/07/33/762210733.db2.gz VKUNMPJXBZNVAU-FRRDWIJNSA-N 1 1 322.365 1.384 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329050 766253766 /nfs/dbraw/zinc/25/37/66/766253766.db2.gz NPTGKPDHZGDQSQ-WCQYABFASA-N 1 1 321.377 1.732 20 5 DDBDMO COc1ccc(C[C@@H](C)N2CC[N@H+]3CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355646 766261852 /nfs/dbraw/zinc/26/18/52/766261852.db2.gz NNVKFSAQQBSHDU-TZMCWYRMSA-N 1 1 305.378 1.924 20 5 DDBDMO CCCc1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157767824 766566387 /nfs/dbraw/zinc/56/63/87/766566387.db2.gz WCBKKWMKBBGUML-VXGBXAGGSA-N 1 1 324.381 1.197 20 5 DDBDMO CCOC(=O)C1=C(Nc2nc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC001170516268 767741379 /nfs/dbraw/zinc/74/13/79/767741379.db2.gz SQTQLTAHKXBSBM-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001096243376 768740807 /nfs/dbraw/zinc/74/08/07/768740807.db2.gz UBCUXHSIZJGVRD-UHFFFAOYSA-N 1 1 324.356 1.382 20 5 DDBDMO CCCC(C)(C)C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001133173334 769548402 /nfs/dbraw/zinc/54/84/02/769548402.db2.gz XXJHBNYRDHKSPR-UHFFFAOYSA-N 1 1 311.386 1.360 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001048813113 769931554 /nfs/dbraw/zinc/93/15/54/769931554.db2.gz AGCYXODMANZFKF-QKPAOTATSA-N 1 1 319.405 1.542 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001048813113 769931564 /nfs/dbraw/zinc/93/15/64/769931564.db2.gz AGCYXODMANZFKF-QKPAOTATSA-N 1 1 319.405 1.542 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001048813113 769931573 /nfs/dbraw/zinc/93/15/73/769931573.db2.gz AGCYXODMANZFKF-QKPAOTATSA-N 1 1 319.405 1.542 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001145018213 772756169 /nfs/dbraw/zinc/75/61/69/772756169.db2.gz UQIRLYVQLGZYDQ-SSDOTTSWSA-N 1 1 301.734 1.043 20 5 DDBDMO [NH3+]Cc1nccnc1Nc1ccc2nsnc2c1[N+](=O)[O-] ZINC001171447611 775970941 /nfs/dbraw/zinc/97/09/41/775970941.db2.gz JJWWUGFKPDUNTN-UHFFFAOYSA-N 1 1 303.307 1.592 20 5 DDBDMO CCN(CCNC(=O)CC[N@@H+](C)CC)c1ccc([N+](=O)[O-])cn1 ZINC001100607414 776360044 /nfs/dbraw/zinc/36/00/44/776360044.db2.gz ZGWSSOFJCKNDDO-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO COC(=O)N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225959 777061375 /nfs/dbraw/zinc/06/13/75/777061375.db2.gz KIXJOVHVAHCPIF-GFCCVEGCSA-N 1 1 307.350 1.910 20 5 DDBDMO Cn1cc(C[NH+]2CCC(c3cncn3C)CC2)c([N+](=O)[O-])n1 ZINC001176978879 778364886 /nfs/dbraw/zinc/36/48/86/778364886.db2.gz XTMSHIMKAFCOGL-UHFFFAOYSA-N 1 1 304.354 1.441 20 5 DDBDMO C[C@](O)(C[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307068 781400469 /nfs/dbraw/zinc/40/04/69/781400469.db2.gz ZOSCEALOKGQACL-IRXDYDNUSA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@](O)(C[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307068 781400476 /nfs/dbraw/zinc/40/04/76/781400476.db2.gz ZOSCEALOKGQACL-IRXDYDNUSA-N 1 1 320.389 1.865 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCCn2cc[nH+]c2C)n1 ZINC001156008877 862628886 /nfs/dbraw/zinc/62/88/86/862628886.db2.gz FBRSAAYCVQHMST-UHFFFAOYSA-N 1 1 319.325 1.269 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001124003005 859519191 /nfs/dbraw/zinc/51/91/91/859519191.db2.gz LTZJFFNLQYMPOH-BYCMXARLSA-N 1 1 303.362 1.973 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC001141406193 860843325 /nfs/dbraw/zinc/84/33/25/860843325.db2.gz NYZTXIZZWKLUIS-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001325865953 860901576 /nfs/dbraw/zinc/90/15/76/860901576.db2.gz ZKOXUTBAQBAZHI-XHDPSFHLSA-N 1 1 318.377 1.803 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)nc(NCC2([NH+]3CCCC3)COC2)c1 ZINC001157650280 864011663 /nfs/dbraw/zinc/01/16/63/864011663.db2.gz NYJPEPKLOIGRAO-UHFFFAOYSA-N 1 1 312.757 1.920 20 5 DDBDMO CC(C)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157761039 864111564 /nfs/dbraw/zinc/11/15/64/864111564.db2.gz KWHHEPIWIJRKBW-UKRRQHHQSA-N 1 1 320.393 1.466 20 5 DDBDMO COCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767298 864118296 /nfs/dbraw/zinc/11/82/96/864118296.db2.gz KYGLKXPIVAAYML-HUUCEWRRSA-N 1 1 321.377 1.094 20 5 DDBDMO COCC(=O)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001332675919 866052696 /nfs/dbraw/zinc/05/26/96/866052696.db2.gz GZIHYZNWFNPOAU-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCC(F)(F)CC1 ZINC001160751894 866098381 /nfs/dbraw/zinc/09/83/81/866098381.db2.gz DVONJMHNQMHRSD-UHFFFAOYSA-N 1 1 301.297 1.715 20 5 DDBDMO O=C(NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001323437305 866609943 /nfs/dbraw/zinc/60/99/43/866609943.db2.gz GZTKOKLWWYNTBW-GHMZBOCLSA-N 1 1 324.768 1.139 20 5 DDBDMO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001322505772 868209218 /nfs/dbraw/zinc/20/92/18/868209218.db2.gz QQTPMPOAYRHYIH-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001322508683 868211326 /nfs/dbraw/zinc/21/13/26/868211326.db2.gz DSCBPRSDGRWPMN-MEBBXXQBSA-N 1 1 318.377 1.849 20 5 DDBDMO C[C@H]1C[C@@H](CO)N(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001164151867 868974521 /nfs/dbraw/zinc/97/45/21/868974521.db2.gz DBOSYTQWDJNDET-JQBPPHQNSA-N 1 1 306.366 1.729 20 5 DDBDMO COc1ccnc(NCC2(N(C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164206993 869013655 /nfs/dbraw/zinc/01/36/55/869013655.db2.gz OYELXHSGAFMNOC-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO O=C(NCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(F)(F)F ZINC001164246034 869054953 /nfs/dbraw/zinc/05/49/53/869054953.db2.gz KHZYAVKIJIGOPJ-UHFFFAOYSA-N 1 1 318.255 1.288 20 5 DDBDMO NC(=O)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001336722629 869108341 /nfs/dbraw/zinc/10/83/41/869108341.db2.gz LDSOAJAYSIVSNB-GJZGRUSLSA-N 1 1 315.329 1.444 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338161461 869841408 /nfs/dbraw/zinc/84/14/08/869841408.db2.gz CNOLYLVQGTYZJV-TUAOUCFPSA-N 1 1 301.350 1.995 20 5 DDBDMO Cn1nccc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317440444 870839814 /nfs/dbraw/zinc/83/98/14/870839814.db2.gz DDERHWWRSQFCEU-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC001306055476 871318505 /nfs/dbraw/zinc/31/85/05/871318505.db2.gz FWCCERMIFNZKCF-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccnn1 ZINC001307718359 871449977 /nfs/dbraw/zinc/44/99/77/871449977.db2.gz ZNEAISKXCXXBJK-UHFFFAOYSA-N 1 1 315.333 1.498 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cccnn1 ZINC001307718359 871449995 /nfs/dbraw/zinc/44/99/95/871449995.db2.gz ZNEAISKXCXXBJK-UHFFFAOYSA-N 1 1 315.333 1.498 20 5 DDBDMO CC1(C)C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC001307740899 871451634 /nfs/dbraw/zinc/45/16/34/871451634.db2.gz JUMIOICVQZMKOO-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1O ZINC001307740899 871451641 /nfs/dbraw/zinc/45/16/41/871451641.db2.gz JUMIOICVQZMKOO-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](c3ncccn3)C2)cc1 ZINC001308111074 871472039 /nfs/dbraw/zinc/47/20/39/871472039.db2.gz BMDWUSCEEIVSQE-ZFWWWQNUSA-N 1 1 314.345 1.908 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC001308164983 871475036 /nfs/dbraw/zinc/47/50/36/871475036.db2.gz WWGLQOVHGPDMKT-QWHCGFSZSA-N 1 1 310.350 1.026 20 5 DDBDMO COc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001226581121 882522241 /nfs/dbraw/zinc/52/22/41/882522241.db2.gz LJSPLOPFWUNYTB-IYYTYJHQSA-N 1 1 307.306 1.181 20 5 DDBDMO COc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ncc1[N+](=O)[O-] ZINC001226581121 882522249 /nfs/dbraw/zinc/52/22/49/882522249.db2.gz LJSPLOPFWUNYTB-IYYTYJHQSA-N 1 1 307.306 1.181 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001342865378 872418534 /nfs/dbraw/zinc/41/85/34/872418534.db2.gz ZYRPYLHEFVJZQU-OKILXGFUSA-N 1 1 318.377 1.340 20 5 DDBDMO COC(=O)[C@@H](O[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644522 881039130 /nfs/dbraw/zinc/03/91/30/881039130.db2.gz VHJWCLKWPXEDKR-FZMZJTMJSA-N 1 1 308.334 1.920 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227744698 883155751 /nfs/dbraw/zinc/15/57/51/883155751.db2.gz HWPUGRNQLAFQDM-SNVBAGLBSA-N 1 1 306.322 1.571 20 5 DDBDMO OC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218319 886166617 /nfs/dbraw/zinc/16/66/17/886166617.db2.gz FUPHJKIPJQJFDN-WBVHZDCISA-N 1 1 323.396 1.958 20 5 DDBDMO C[N@H+]1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234363077 887907144 /nfs/dbraw/zinc/90/71/44/887907144.db2.gz XGEBWMVCIITNMU-CYBMUJFWSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCNC3(CC[NH2+]CC3)C1)C2 ZINC001246608209 892734692 /nfs/dbraw/zinc/73/46/92/892734692.db2.gz YAIPCBBJVBSRGW-INIZCTEOSA-N 1 1 316.405 1.089 20 5 DDBDMO CC[N@@H+](CCC(N)=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478593 896456287 /nfs/dbraw/zinc/45/62/87/896456287.db2.gz HHEQQMKLDVMYSC-UHFFFAOYSA-N 1 1 320.393 1.761 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001254553297 896498785 /nfs/dbraw/zinc/49/87/85/896498785.db2.gz UQIKMOKMRJMVPR-WQVCFCJDSA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001254560873 896502547 /nfs/dbraw/zinc/50/25/47/896502547.db2.gz YRCBPKGSOPROFU-ZFWWWQNUSA-N 1 1 319.405 1.931 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254604016 896527760 /nfs/dbraw/zinc/52/77/60/896527760.db2.gz SHIZFXYRKMPSHF-HUUCEWRRSA-N 1 1 301.346 1.369 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254604016 896527767 /nfs/dbraw/zinc/52/77/67/896527767.db2.gz SHIZFXYRKMPSHF-HUUCEWRRSA-N 1 1 301.346 1.369 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001263415596 900605057 /nfs/dbraw/zinc/60/50/57/900605057.db2.gz HFMFGEIQCCKOEG-OLZOCXBDSA-N 1 1 324.429 1.802 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001265538995 902112398 /nfs/dbraw/zinc/11/23/98/902112398.db2.gz TXXVVFXQZVIKSO-BZNPZCIMSA-N 1 1 308.165 1.207 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449696756 230634132 /nfs/dbraw/zinc/63/41/32/230634132.db2.gz LDYWPVXYQBURSA-MQDFFIGUSA-N 1 1 306.362 1.939 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000452343743 231352626 /nfs/dbraw/zinc/35/26/26/231352626.db2.gz BPJNGAHNVUZXLA-AWEZNQCLSA-N 1 1 307.350 1.171 20 5 DDBDMO COCC[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000254999222 282223811 /nfs/dbraw/zinc/22/38/11/282223811.db2.gz MIUWXOPADNWVIN-WAYWQWQTSA-N 1 1 319.361 1.399 20 5 DDBDMO COc1cc(CN2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614923431 362079468 /nfs/dbraw/zinc/07/94/68/362079468.db2.gz LKTDBKAZOAFGMS-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430971485 529993011 /nfs/dbraw/zinc/99/30/11/529993011.db2.gz NNOWZNOXHUSDNJ-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)n1 ZINC000286752863 219146858 /nfs/dbraw/zinc/14/68/58/219146858.db2.gz YVELIWOYXVZFRK-NXEZZACHSA-N 1 1 322.287 1.284 20 5 DDBDMO NC(=O)[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000341416836 282462077 /nfs/dbraw/zinc/46/20/77/282462077.db2.gz IZFBNNMUIDIYRB-QMMMGPOBSA-N 1 1 319.148 1.165 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000279764197 215127369 /nfs/dbraw/zinc/12/73/69/215127369.db2.gz RTQWDPGADYSEJR-LBPRGKRZSA-N 1 1 311.357 1.886 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000279764197 215127372 /nfs/dbraw/zinc/12/73/72/215127372.db2.gz RTQWDPGADYSEJR-LBPRGKRZSA-N 1 1 311.357 1.886 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cnccn3)CC2)nc1 ZINC000601253065 358464300 /nfs/dbraw/zinc/46/43/00/358464300.db2.gz CSUCRHRJQCPJKK-UHFFFAOYSA-N 1 1 314.349 1.145 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000041886319 352317336 /nfs/dbraw/zinc/31/73/36/352317336.db2.gz WXVBURMFQPYVBI-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000041966712 352321093 /nfs/dbraw/zinc/32/10/93/352321093.db2.gz VKUFOQPMWPOYIH-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553944 352820307 /nfs/dbraw/zinc/82/03/07/352820307.db2.gz JEIVVEOGSREHEI-NSHDSACASA-N 1 1 305.334 1.327 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000058274586 352841517 /nfs/dbraw/zinc/84/15/17/352841517.db2.gz QQHNDUUYQQFNFF-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000067830440 353069640 /nfs/dbraw/zinc/06/96/40/353069640.db2.gz YUHOHHCHOJRLKI-NWDGAFQWSA-N 1 1 323.397 1.479 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCn1cc[nH+]c1C ZINC000069001955 353140414 /nfs/dbraw/zinc/14/04/14/353140414.db2.gz YIXIPXKVLOFIBZ-UHFFFAOYSA-N 1 1 320.353 1.201 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173711153 198243030 /nfs/dbraw/zinc/24/30/30/198243030.db2.gz ASJDOCCJCMMNCH-ZDUSSCGKSA-N 1 1 320.393 1.489 20 5 DDBDMO O=C1CCCN1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665037 353207880 /nfs/dbraw/zinc/20/78/80/353207880.db2.gz XWOLIFAPHRBQEC-LBPRGKRZSA-N 1 1 319.365 1.098 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321176 353306643 /nfs/dbraw/zinc/30/66/43/353306643.db2.gz IBNWUIPUGGONBL-LBPRGKRZSA-N 1 1 321.381 1.430 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321176 353306645 /nfs/dbraw/zinc/30/66/45/353306645.db2.gz IBNWUIPUGGONBL-LBPRGKRZSA-N 1 1 321.381 1.430 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321176 353306647 /nfs/dbraw/zinc/30/66/47/353306647.db2.gz IBNWUIPUGGONBL-LBPRGKRZSA-N 1 1 321.381 1.430 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000074746518 353328337 /nfs/dbraw/zinc/32/83/37/353328337.db2.gz JNNIOAJXXZYKNQ-LBPRGKRZSA-N 1 1 321.381 1.298 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000075645595 353373778 /nfs/dbraw/zinc/37/37/78/353373778.db2.gz CUYUASODADZSNY-CQSZACIVSA-N 1 1 312.370 1.043 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)C1 ZINC000174706308 198372766 /nfs/dbraw/zinc/37/27/66/198372766.db2.gz ILBHNDWVLRYTQX-LLVKDONJSA-N 1 1 323.349 1.246 20 5 DDBDMO Cc1cnc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078664103 353527549 /nfs/dbraw/zinc/52/75/49/353527549.db2.gz IWLFBPLTDKCJQD-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524749 353794666 /nfs/dbraw/zinc/79/46/66/353794666.db2.gz CNGDYGUXHPAYFH-LBPRGKRZSA-N 1 1 323.349 1.174 20 5 DDBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000093279005 353891402 /nfs/dbraw/zinc/89/14/02/353891402.db2.gz XJZINQNZSHETMX-LBPRGKRZSA-N 1 1 324.381 1.703 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000108325936 353950783 /nfs/dbraw/zinc/95/07/83/353950783.db2.gz XYWNVYNCQAKTJV-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)o1 ZINC000093483656 353901511 /nfs/dbraw/zinc/90/15/11/353901511.db2.gz ZMZQFPLYUMHOJL-OKILXGFUSA-N 1 1 304.302 1.392 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000139421137 354127973 /nfs/dbraw/zinc/12/79/73/354127973.db2.gz HNJWQCGMBKLLCG-GFCCVEGCSA-N 1 1 321.381 1.400 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000154690685 354207717 /nfs/dbraw/zinc/20/77/17/354207717.db2.gz JUYJFLYYQLDMHT-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000154690685 354207722 /nfs/dbraw/zinc/20/77/22/354207722.db2.gz JUYJFLYYQLDMHT-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157104937 354223743 /nfs/dbraw/zinc/22/37/43/354223743.db2.gz SINQPIQYFFDDFG-UKRRQHHQSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157104937 354223747 /nfs/dbraw/zinc/22/37/47/354223747.db2.gz SINQPIQYFFDDFG-UKRRQHHQSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157313186 354224316 /nfs/dbraw/zinc/22/43/16/354224316.db2.gz OOLNTIGGWVKKCX-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157313186 354224320 /nfs/dbraw/zinc/22/43/20/354224320.db2.gz OOLNTIGGWVKKCX-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237617094 354344650 /nfs/dbraw/zinc/34/46/50/354344650.db2.gz ZSGAGBBGMRRYHH-DTWKUNHWSA-N 1 1 303.322 1.423 20 5 DDBDMO NC(=O)c1ccnc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000357238759 291027744 /nfs/dbraw/zinc/02/77/44/291027744.db2.gz MXCAZRGIYDRPCJ-VIFPVBQESA-N 1 1 316.321 1.196 20 5 DDBDMO COc1cc(C[N@H+](C)CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000073368109 191309671 /nfs/dbraw/zinc/30/96/71/191309671.db2.gz KKXQYGVWILVFKH-UHFFFAOYSA-N 1 1 306.265 1.629 20 5 DDBDMO COc1cc(C[N@@H+](C)CCO)c([N+](=O)[O-])cc1OC(F)F ZINC000073368109 191309674 /nfs/dbraw/zinc/30/96/74/191309674.db2.gz KKXQYGVWILVFKH-UHFFFAOYSA-N 1 1 306.265 1.629 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589184434 354969643 /nfs/dbraw/zinc/96/96/43/354969643.db2.gz LBKLXNFVXGYSQE-TXEJJXNPSA-N 1 1 308.334 1.975 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589184434 354969645 /nfs/dbraw/zinc/96/96/45/354969645.db2.gz LBKLXNFVXGYSQE-TXEJJXNPSA-N 1 1 308.334 1.975 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H](C)C(=O)OC)c1 ZINC000589495881 354995780 /nfs/dbraw/zinc/99/57/80/354995780.db2.gz HOZWFASHPQYTGR-JTQLQIEISA-N 1 1 324.333 1.622 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000589494766 354995839 /nfs/dbraw/zinc/99/58/39/354995839.db2.gz ZUEVDYNVPHUDKG-UHFFFAOYSA-N 1 1 321.333 1.079 20 5 DDBDMO Cn1c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000590347933 355074848 /nfs/dbraw/zinc/07/48/48/355074848.db2.gz NJHWEFRAYYFWEN-UHFFFAOYSA-N 1 1 320.393 1.881 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000590585762 355121005 /nfs/dbraw/zinc/12/10/05/355121005.db2.gz RXNINGNNXHIFDR-MNOVXSKESA-N 1 1 320.349 1.449 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590446392 355099825 /nfs/dbraw/zinc/09/98/25/355099825.db2.gz TVSMNOSSPTXYPE-RNCFNFMXSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+]1C[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590446392 355099826 /nfs/dbraw/zinc/09/98/26/355099826.db2.gz TVSMNOSSPTXYPE-RNCFNFMXSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590446392 355099828 /nfs/dbraw/zinc/09/98/28/355099828.db2.gz TVSMNOSSPTXYPE-RNCFNFMXSA-N 1 1 315.333 1.247 20 5 DDBDMO C[NH2+]CC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592428348 355580633 /nfs/dbraw/zinc/58/06/33/355580633.db2.gz AQJHTDPNGKXAFT-UHFFFAOYSA-N 1 1 321.377 1.797 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)CCO ZINC000593108166 355800850 /nfs/dbraw/zinc/80/08/50/355800850.db2.gz UNHPRRAIAGDRHK-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593340085 355858407 /nfs/dbraw/zinc/85/84/07/355858407.db2.gz TXGPNPXRCWREFL-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593340085 355858413 /nfs/dbraw/zinc/85/84/13/355858413.db2.gz TXGPNPXRCWREFL-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000593555493 355923968 /nfs/dbraw/zinc/92/39/68/355923968.db2.gz BKCJPFOQCNGHNB-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000594065075 356103326 /nfs/dbraw/zinc/10/33/26/356103326.db2.gz OABGGTCGZFOGPL-SNVBAGLBSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000594065075 356103328 /nfs/dbraw/zinc/10/33/28/356103328.db2.gz OABGGTCGZFOGPL-SNVBAGLBSA-N 1 1 318.333 1.990 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594200390 356138571 /nfs/dbraw/zinc/13/85/71/356138571.db2.gz LRQWSSHZPJDCFR-STQMWFEESA-N 1 1 306.366 1.680 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326043 356450417 /nfs/dbraw/zinc/45/04/17/356450417.db2.gz ILYSOYQCKQPKEW-GFCCVEGCSA-N 1 1 310.354 1.045 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326043 356450421 /nfs/dbraw/zinc/45/04/21/356450421.db2.gz ILYSOYQCKQPKEW-GFCCVEGCSA-N 1 1 310.354 1.045 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595298323 356439010 /nfs/dbraw/zinc/43/90/10/356439010.db2.gz QKAAAHFGRLSSTN-LLVKDONJSA-N 1 1 310.354 1.629 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595298323 356439012 /nfs/dbraw/zinc/43/90/12/356439012.db2.gz QKAAAHFGRLSSTN-LLVKDONJSA-N 1 1 310.354 1.629 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H](C[NH2+]C)C2)c1[N+](=O)[O-] ZINC000236884130 202051877 /nfs/dbraw/zinc/05/18/77/202051877.db2.gz CLBORPWYKUAMPG-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595690094 356611153 /nfs/dbraw/zinc/61/11/53/356611153.db2.gz UIOHBXODLGLESR-GASCZTMLSA-N 1 1 307.350 1.115 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000595659797 356595770 /nfs/dbraw/zinc/59/57/70/356595770.db2.gz PIMZPZPNAAGXCP-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000595659797 356595775 /nfs/dbraw/zinc/59/57/75/356595775.db2.gz PIMZPZPNAAGXCP-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595737067 356629212 /nfs/dbraw/zinc/62/92/12/356629212.db2.gz GOECIWRFBOWWRU-QWHCGFSZSA-N 1 1 319.361 1.574 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c2c(c1)COCO2 ZINC000595770518 356645940 /nfs/dbraw/zinc/64/59/40/356645940.db2.gz WYRRKWALCCQFJX-SWLSCSKDSA-N 1 1 306.318 1.418 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c2c(c1)COCO2 ZINC000595770518 356645941 /nfs/dbraw/zinc/64/59/41/356645941.db2.gz WYRRKWALCCQFJX-SWLSCSKDSA-N 1 1 306.318 1.418 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595850346 356677251 /nfs/dbraw/zinc/67/72/51/356677251.db2.gz YIFALSXDDGGYIU-TXEJJXNPSA-N 1 1 308.334 1.857 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595873596 356687158 /nfs/dbraw/zinc/68/71/58/356687158.db2.gz NCNMTUMRAVPKLS-UHFFFAOYSA-N 1 1 322.409 1.904 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000595860919 356681181 /nfs/dbraw/zinc/68/11/81/356681181.db2.gz NBEQAVFLSDIWMR-MEDUHNTESA-N 1 1 322.361 1.832 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867505 356684542 /nfs/dbraw/zinc/68/45/42/356684542.db2.gz NOESAXJUQZPLHU-INIZCTEOSA-N 1 1 305.378 1.626 20 5 DDBDMO Nc1ccc(N2CC[NH+](Cc3cccs3)CC2)nc1[N+](=O)[O-] ZINC000596058844 356756165 /nfs/dbraw/zinc/75/61/65/356756165.db2.gz JYRYWIWTJGXTQO-UHFFFAOYSA-N 1 1 319.390 1.956 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](C)CO1 ZINC000596432283 356878756 /nfs/dbraw/zinc/87/87/56/356878756.db2.gz RTUXGABZVDQRSF-GHMZBOCLSA-N 1 1 324.381 1.190 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](C)CO1 ZINC000596432283 356878757 /nfs/dbraw/zinc/87/87/57/356878757.db2.gz RTUXGABZVDQRSF-GHMZBOCLSA-N 1 1 324.381 1.190 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596309370 356853588 /nfs/dbraw/zinc/85/35/88/356853588.db2.gz ZWZQPMFAGLRANO-SNVBAGLBSA-N 1 1 321.381 1.621 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537467 356910269 /nfs/dbraw/zinc/91/02/69/356910269.db2.gz GRLYCYZYOPBORJ-ZDUSSCGKSA-N 1 1 309.341 1.769 20 5 DDBDMO Nc1c(F)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538494 356911407 /nfs/dbraw/zinc/91/14/07/356911407.db2.gz LFRPZLWVTAJDFK-NSHDSACASA-N 1 1 324.356 1.352 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276854794 213134556 /nfs/dbraw/zinc/13/45/56/213134556.db2.gz FIEIYECCZRHPFC-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@H]1CC[N@@H+](C)C1 ZINC000597943936 357392384 /nfs/dbraw/zinc/39/23/84/357392384.db2.gz BCAISPCHHSAIES-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)n1 ZINC000599542839 357967770 /nfs/dbraw/zinc/96/77/70/357967770.db2.gz FBAUDQZHJPWQSV-ZDUSSCGKSA-N 1 1 324.381 1.045 20 5 DDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000600068747 358114130 /nfs/dbraw/zinc/11/41/30/358114130.db2.gz KSWZULSOZQOERT-UHFFFAOYSA-N 1 1 305.334 1.188 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600316295 358195039 /nfs/dbraw/zinc/19/50/39/358195039.db2.gz ZDPDXERXOUDAHD-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180545286 199174147 /nfs/dbraw/zinc/17/41/47/199174147.db2.gz WQRUBPNGLYTCSS-GHMZBOCLSA-N 1 1 321.381 1.422 20 5 DDBDMO CN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000601195491 358442636 /nfs/dbraw/zinc/44/26/36/358442636.db2.gz QBXLXNASFRSIMQ-UHFFFAOYSA-N 1 1 300.318 1.812 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601174669 358433641 /nfs/dbraw/zinc/43/36/41/358433641.db2.gz ZGEGZZBJDZIFOR-UHFFFAOYSA-N 1 1 324.356 1.820 20 5 DDBDMO COC[C@H]1C[C@@H](O)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601184581 358438548 /nfs/dbraw/zinc/43/85/48/358438548.db2.gz MJUXHRBBHPCKPJ-VXGBXAGGSA-N 1 1 303.318 1.729 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975492 358762166 /nfs/dbraw/zinc/76/21/66/358762166.db2.gz WBJSKTQIJPFUBM-SDDRHHMPSA-N 1 1 305.334 1.500 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000602848523 359235691 /nfs/dbraw/zinc/23/56/91/359235691.db2.gz VXRNMFDHIXDHOK-LBPRGKRZSA-N 1 1 305.342 1.028 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000618467677 363642691 /nfs/dbraw/zinc/64/26/91/363642691.db2.gz PFKXCJSWCJEBBJ-WCQYABFASA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000618467677 363642696 /nfs/dbraw/zinc/64/26/96/363642696.db2.gz PFKXCJSWCJEBBJ-WCQYABFASA-N 1 1 307.350 1.352 20 5 DDBDMO C[N@@H+](Cc1ccns1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602879627 359262810 /nfs/dbraw/zinc/26/28/10/359262810.db2.gz IVIQWDXGYSRGKC-GFCCVEGCSA-N 1 1 323.374 1.923 20 5 DDBDMO C[N@H+](Cc1ccns1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602879627 359262816 /nfs/dbraw/zinc/26/28/16/359262816.db2.gz IVIQWDXGYSRGKC-GFCCVEGCSA-N 1 1 323.374 1.923 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000603396397 359613717 /nfs/dbraw/zinc/61/37/17/359613717.db2.gz ICBVGDJBWUUVAI-WDEREUQCSA-N 1 1 309.370 1.240 20 5 DDBDMO COc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000604460832 359752935 /nfs/dbraw/zinc/75/29/35/359752935.db2.gz BJGBKDWZTXLCMQ-LLVKDONJSA-N 1 1 323.349 1.193 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604278246 359731996 /nfs/dbraw/zinc/73/19/96/359731996.db2.gz XTTSHDRRJFMUCQ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604278246 359731998 /nfs/dbraw/zinc/73/19/98/359731998.db2.gz XTTSHDRRJFMUCQ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399946 360304047 /nfs/dbraw/zinc/30/40/47/360304047.db2.gz WQHFQAPPSRXFHA-AWEZNQCLSA-N 1 1 318.377 1.878 20 5 DDBDMO Cc1nn(C)c(NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000609630890 360338558 /nfs/dbraw/zinc/33/85/58/360338558.db2.gz CWJJKJHVFUXOJF-UHFFFAOYSA-N 1 1 310.402 1.076 20 5 DDBDMO Cc1nn(C)c(NCCC[N@@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609630890 360338559 /nfs/dbraw/zinc/33/85/59/360338559.db2.gz CWJJKJHVFUXOJF-UHFFFAOYSA-N 1 1 310.402 1.076 20 5 DDBDMO Cc1nn(C)c(NCCC[N@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609630890 360338561 /nfs/dbraw/zinc/33/85/61/360338561.db2.gz CWJJKJHVFUXOJF-UHFFFAOYSA-N 1 1 310.402 1.076 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000610240093 360395260 /nfs/dbraw/zinc/39/52/60/360395260.db2.gz VJKUAIPGGHSDKO-AWEZNQCLSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@@H]1COCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990904 360592176 /nfs/dbraw/zinc/59/21/76/360592176.db2.gz UFQGIZKERFOUGH-TZMCWYRMSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084575 360617551 /nfs/dbraw/zinc/61/75/51/360617551.db2.gz FMRQNGCXOFELML-LLVKDONJSA-N 1 1 306.366 1.485 20 5 DDBDMO COC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253205 360679619 /nfs/dbraw/zinc/67/96/19/360679619.db2.gz SOQKFPAUCIFQNN-UHFFFAOYSA-N 1 1 308.334 1.977 20 5 DDBDMO Cc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000193655567 201095919 /nfs/dbraw/zinc/09/59/19/201095919.db2.gz WWYLRCGVGUCAMK-UHFFFAOYSA-N 1 1 313.379 1.277 20 5 DDBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000619221242 363937631 /nfs/dbraw/zinc/93/76/31/363937631.db2.gz BKKPHJKRJNWJTA-AWEZNQCLSA-N 1 1 308.334 1.569 20 5 DDBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000619221242 363937636 /nfs/dbraw/zinc/93/76/36/363937636.db2.gz BKKPHJKRJNWJTA-AWEZNQCLSA-N 1 1 308.334 1.569 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252702 363945961 /nfs/dbraw/zinc/94/59/61/363945961.db2.gz NOMUVPMXMVGGIY-GXTWGEPZSA-N 1 1 307.325 1.853 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619574254 364067592 /nfs/dbraw/zinc/06/75/92/364067592.db2.gz LKWHLJZCHSUKJP-QWRGUYRKSA-N 1 1 313.354 1.915 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619874129 364170499 /nfs/dbraw/zinc/17/04/99/364170499.db2.gz ZJEBTIXRMGTBLS-AWEZNQCLSA-N 1 1 318.377 1.023 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359223198 299363228 /nfs/dbraw/zinc/36/32/28/299363228.db2.gz HRHVIYOEYKUGJY-LBPRGKRZSA-N 1 1 304.350 1.631 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000264677130 204072108 /nfs/dbraw/zinc/07/21/08/204072108.db2.gz NWEIAFMODPHHJM-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO Cc1n[nH]c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266081593 205082684 /nfs/dbraw/zinc/08/26/84/205082684.db2.gz DOFNDYPQOKPLRG-LLVKDONJSA-N 1 1 309.370 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266081593 205082686 /nfs/dbraw/zinc/08/26/86/205082686.db2.gz DOFNDYPQOKPLRG-LLVKDONJSA-N 1 1 309.370 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266081593 205082687 /nfs/dbraw/zinc/08/26/87/205082687.db2.gz DOFNDYPQOKPLRG-LLVKDONJSA-N 1 1 309.370 1.573 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282825243 217275821 /nfs/dbraw/zinc/27/58/21/217275821.db2.gz YWTZTHYUIRYVLR-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284594778 218093811 /nfs/dbraw/zinc/09/38/11/218093811.db2.gz JEIPQAZFDABESJ-RYUDHWBXSA-N 1 1 307.350 1.386 20 5 DDBDMO CCn1nccc1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338569690 250035059 /nfs/dbraw/zinc/03/50/59/250035059.db2.gz LIWJWHLDPSMIQC-UHFFFAOYSA-N 1 1 301.350 1.807 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000106393826 194205961 /nfs/dbraw/zinc/20/59/61/194205961.db2.gz CFDKGQSRSXCDMX-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO COc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285209721 218334514 /nfs/dbraw/zinc/33/45/14/218334514.db2.gz WYZSXQOYXVBSFE-KBPBESRZSA-N 1 1 307.350 1.513 20 5 DDBDMO Cc1cccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285350942 218392874 /nfs/dbraw/zinc/39/28/74/218392874.db2.gz ULYQQCFHADZPFB-KGLIPLIRSA-N 1 1 319.361 1.448 20 5 DDBDMO C[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061468573 184171349 /nfs/dbraw/zinc/17/13/49/184171349.db2.gz FDNNJDYJENIEAY-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836357 532953437 /nfs/dbraw/zinc/95/34/37/532953437.db2.gz BMXPNAAKLHINKJ-MELADBBJSA-N 1 1 324.381 1.042 20 5 DDBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157698412 197208921 /nfs/dbraw/zinc/20/89/21/197208921.db2.gz HXBJSHOREQNDHV-CYBMUJFWSA-N 1 1 321.381 1.030 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@H]2C[NH2+]CCCO2)n1 ZINC000423493212 285168537 /nfs/dbraw/zinc/16/85/37/285168537.db2.gz PPHYMRREQARMEF-HZSPNIEDSA-N 1 1 323.397 1.243 20 5 DDBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000352689902 285230536 /nfs/dbraw/zinc/23/05/36/285230536.db2.gz DKHYIGCHSAULNM-LLVKDONJSA-N 1 1 303.366 1.997 20 5 DDBDMO O=c1nc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289571824 221076741 /nfs/dbraw/zinc/07/67/41/221076741.db2.gz YMHWMZQSQUHUHU-GFCCVEGCSA-N 1 1 317.349 1.428 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290036971 221394539 /nfs/dbraw/zinc/39/45/39/221394539.db2.gz IQGCWSHHARHIIA-UHFFFAOYSA-N 1 1 316.321 1.672 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950684 533662420 /nfs/dbraw/zinc/66/24/20/533662420.db2.gz HZBXNAMLXDEURZ-GXSJLCMTSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950684 533662427 /nfs/dbraw/zinc/66/24/27/533662427.db2.gz HZBXNAMLXDEURZ-GXSJLCMTSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950684 533662433 /nfs/dbraw/zinc/66/24/33/533662433.db2.gz HZBXNAMLXDEURZ-GXSJLCMTSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950684 533662435 /nfs/dbraw/zinc/66/24/35/533662435.db2.gz HZBXNAMLXDEURZ-GXSJLCMTSA-N 1 1 307.354 1.325 20 5 DDBDMO C[C@@H]1COCCN1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379989 297123773 /nfs/dbraw/zinc/12/37/73/297123773.db2.gz QUMJPYBBQCMTDQ-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000114374051 407567551 /nfs/dbraw/zinc/56/75/51/407567551.db2.gz PYHMIDVSMXQSII-NSHDSACASA-N 1 1 322.365 1.139 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070077002 406808404 /nfs/dbraw/zinc/80/84/04/406808404.db2.gz VQFUDNYLCHZVGK-PHIMTYICSA-N 1 1 313.379 1.274 20 5 DDBDMO Cc1nn(C)c(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000072015988 406871362 /nfs/dbraw/zinc/87/13/62/406871362.db2.gz JZJMTHJYKCSJQU-ZDUSSCGKSA-N 1 1 324.429 1.321 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000073991422 406898655 /nfs/dbraw/zinc/89/86/55/406898655.db2.gz WHVJUKOBDKNFMQ-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000073991422 406898658 /nfs/dbraw/zinc/89/86/58/406898658.db2.gz WHVJUKOBDKNFMQ-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000073991422 406898661 /nfs/dbraw/zinc/89/86/61/406898661.db2.gz WHVJUKOBDKNFMQ-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO C[N@H+](C[C@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379401 407272035 /nfs/dbraw/zinc/27/20/35/407272035.db2.gz UIOMHPVRAMROAO-HUUCEWRRSA-N 1 1 319.361 1.811 20 5 DDBDMO C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379401 407272037 /nfs/dbraw/zinc/27/20/37/407272037.db2.gz UIOMHPVRAMROAO-HUUCEWRRSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123856866 407340919 /nfs/dbraw/zinc/34/09/19/407340919.db2.gz GNRNVFNFHCPTHX-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123856866 407340920 /nfs/dbraw/zinc/34/09/20/407340920.db2.gz GNRNVFNFHCPTHX-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170793231 407509248 /nfs/dbraw/zinc/50/92/48/407509248.db2.gz HETSLZJVLYWTBI-UHFFFAOYSA-N 1 1 319.321 1.213 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170793231 407509252 /nfs/dbraw/zinc/50/92/52/407509252.db2.gz HETSLZJVLYWTBI-UHFFFAOYSA-N 1 1 319.321 1.213 20 5 DDBDMO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000113344695 407496654 /nfs/dbraw/zinc/49/66/54/407496654.db2.gz FMMMOSDCKABWAA-UHFFFAOYSA-N 1 1 300.380 1.898 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186487659 407679426 /nfs/dbraw/zinc/67/94/26/407679426.db2.gz AEUAVUKWMKYAIH-QMTHXVAHSA-N 1 1 317.349 1.739 20 5 DDBDMO CC[N@@H+](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178981588 407680471 /nfs/dbraw/zinc/68/04/71/407680471.db2.gz RCVDSVCPXVCGLD-UHFFFAOYSA-N 1 1 306.366 1.607 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187129148 407820651 /nfs/dbraw/zinc/82/06/51/407820651.db2.gz WMZXDRJGAZQYTH-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187129148 407820655 /nfs/dbraw/zinc/82/06/55/407820655.db2.gz WMZXDRJGAZQYTH-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153605228 407862265 /nfs/dbraw/zinc/86/22/65/407862265.db2.gz AWLGLJXJMURAHC-ZBFHGGJFSA-N 1 1 322.361 1.447 20 5 DDBDMO CC(=O)NCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472845 407881543 /nfs/dbraw/zinc/88/15/43/407881543.db2.gz WZRBFZVCFLVUER-GFCCVEGCSA-N 1 1 307.354 1.002 20 5 DDBDMO CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153758411 407894758 /nfs/dbraw/zinc/89/47/58/407894758.db2.gz KHCKSYMLTNYFKM-AWEZNQCLSA-N 1 1 309.366 1.428 20 5 DDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153758411 407894763 /nfs/dbraw/zinc/89/47/63/407894763.db2.gz KHCKSYMLTNYFKM-AWEZNQCLSA-N 1 1 309.366 1.428 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000245419092 407971710 /nfs/dbraw/zinc/97/17/10/407971710.db2.gz GWEXASAPDQAIKV-WQVCFCJDSA-N 1 1 316.361 1.845 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCC[C@H]1O ZINC000272451911 407929256 /nfs/dbraw/zinc/92/92/56/407929256.db2.gz CHDQCEJBJNBSJL-TZMCWYRMSA-N 1 1 309.366 1.239 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000268188008 407937617 /nfs/dbraw/zinc/93/76/17/407937617.db2.gz DQSHJAHXMZOSKC-LLVKDONJSA-N 1 1 321.381 1.479 20 5 DDBDMO C[N@@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000154541158 408047854 /nfs/dbraw/zinc/04/78/54/408047854.db2.gz RNXGTYRKXNAAPA-GFCCVEGCSA-N 1 1 309.391 1.648 20 5 DDBDMO C[N@@H+](CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272591137 407998598 /nfs/dbraw/zinc/99/85/98/407998598.db2.gz TUTLAQZWYNICED-UHFFFAOYSA-N 1 1 313.304 1.897 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245571837 408018617 /nfs/dbraw/zinc/01/86/17/408018617.db2.gz BWRJNKKFBHSNNV-GXTWGEPZSA-N 1 1 307.350 1.257 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175227470 408084459 /nfs/dbraw/zinc/08/44/59/408084459.db2.gz YHOAXYVTQRDGGQ-LLVKDONJSA-N 1 1 307.350 1.691 20 5 DDBDMO CO[C@@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182341651 408130704 /nfs/dbraw/zinc/13/07/04/408130704.db2.gz CDYHPKGCIFQJJB-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000246141449 408154392 /nfs/dbraw/zinc/15/43/92/408154392.db2.gz NRLGFJOABQUVQI-DGCLKSJQSA-N 1 1 312.391 1.772 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155595521 408186944 /nfs/dbraw/zinc/18/69/44/408186944.db2.gz XVKYHAZPZGGMFB-UHFFFAOYSA-N 1 1 315.395 1.522 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729247 408188719 /nfs/dbraw/zinc/18/87/19/408188719.db2.gz BYCCSKXKZZMPGR-IUCAKERBSA-N 1 1 307.354 1.235 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000263766884 408248025 /nfs/dbraw/zinc/24/80/25/408248025.db2.gz RYVIKWWHQIPFSS-UHFFFAOYSA-N 1 1 317.349 1.685 20 5 DDBDMO CC[N@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000263766884 408248031 /nfs/dbraw/zinc/24/80/31/408248031.db2.gz RYVIKWWHQIPFSS-UHFFFAOYSA-N 1 1 317.349 1.685 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000263766884 408248037 /nfs/dbraw/zinc/24/80/37/408248037.db2.gz RYVIKWWHQIPFSS-UHFFFAOYSA-N 1 1 317.349 1.685 20 5 DDBDMO C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822353 408258015 /nfs/dbraw/zinc/25/80/15/408258015.db2.gz PLXJOWNWGVAQCV-QWRGUYRKSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822353 408258019 /nfs/dbraw/zinc/25/80/19/408258019.db2.gz PLXJOWNWGVAQCV-QWRGUYRKSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822353 408258027 /nfs/dbraw/zinc/25/80/27/408258027.db2.gz PLXJOWNWGVAQCV-QWRGUYRKSA-N 1 1 321.381 1.701 20 5 DDBDMO C[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CC1 ZINC000263674484 408200461 /nfs/dbraw/zinc/20/04/61/408200461.db2.gz HAHPWYWZAJOPKU-UHFFFAOYSA-N 1 1 304.350 1.986 20 5 DDBDMO C[C@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190312637 408219711 /nfs/dbraw/zinc/21/97/11/408219711.db2.gz DFGLEORXZWKCOC-UWVGGRQHSA-N 1 1 300.384 1.963 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000150969470 408235586 /nfs/dbraw/zinc/23/55/86/408235586.db2.gz TVIXZFJGYRUCQB-GWCFXTLKSA-N 1 1 320.349 1.252 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000190405216 408236392 /nfs/dbraw/zinc/23/63/92/408236392.db2.gz ROEFFTLLCMCLJV-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225535 408315543 /nfs/dbraw/zinc/31/55/43/408315543.db2.gz LFIMEOLMMKXXMZ-CYBMUJFWSA-N 1 1 323.397 1.420 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269333254 408273905 /nfs/dbraw/zinc/27/39/05/408273905.db2.gz AUCGKSRMPUCEEX-GHMZBOCLSA-N 1 1 323.397 1.900 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246850733 408353408 /nfs/dbraw/zinc/35/34/08/408353408.db2.gz FHQKHSPZYMQJET-DGCLKSJQSA-N 1 1 323.397 1.335 20 5 DDBDMO COCCC[N@@H+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673344 408386675 /nfs/dbraw/zinc/38/66/75/408386675.db2.gz OIJYPOMPDYHCHJ-OAHLLOKOSA-N 1 1 312.366 1.613 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000247598777 408497844 /nfs/dbraw/zinc/49/78/44/408497844.db2.gz OVSZKHUTDFOXHO-NWANDNLSSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000247598777 408497849 /nfs/dbraw/zinc/49/78/49/408497849.db2.gz OVSZKHUTDFOXHO-NWANDNLSSA-N 1 1 324.377 1.834 20 5 DDBDMO C[NH+](C)[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000264502051 408514591 /nfs/dbraw/zinc/51/45/91/408514591.db2.gz YFARPEDMWLGIMG-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO COc1cc(C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1F ZINC000184234148 408576400 /nfs/dbraw/zinc/57/64/00/408576400.db2.gz RMVCIIOTBYLZIZ-UHFFFAOYSA-N 1 1 311.313 1.440 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000275372760 408585772 /nfs/dbraw/zinc/58/57/72/408585772.db2.gz NSTMBWMPTMBHEY-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000275372760 408585775 /nfs/dbraw/zinc/58/57/75/408585775.db2.gz NSTMBWMPTMBHEY-ZJUUUORDSA-N 1 1 314.773 1.535 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000161317740 408587757 /nfs/dbraw/zinc/58/77/57/408587757.db2.gz OFPVHTSTMMLHCK-NSHDSACASA-N 1 1 308.386 1.747 20 5 DDBDMO CCOc1cccc(N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275476836 408590890 /nfs/dbraw/zinc/59/08/90/408590890.db2.gz BVMQYWZSQWREEP-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000264698902 408544460 /nfs/dbraw/zinc/54/44/60/408544460.db2.gz VVWYBIJBFQBSDC-VIFPVBQESA-N 1 1 309.370 1.483 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248910864 408660965 /nfs/dbraw/zinc/66/09/65/408660965.db2.gz IXZDEASTPPHPHQ-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO CO[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251697202 408786445 /nfs/dbraw/zinc/78/64/45/408786445.db2.gz JTFVLQOWJJIDGS-SWLSCSKDSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251697202 408786447 /nfs/dbraw/zinc/78/64/47/408786447.db2.gz JTFVLQOWJJIDGS-SWLSCSKDSA-N 1 1 321.377 1.914 20 5 DDBDMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000194539688 408786637 /nfs/dbraw/zinc/78/66/37/408786637.db2.gz PWZOSBOVOWJVID-BETUJISGSA-N 1 1 321.377 1.605 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185311532 408794721 /nfs/dbraw/zinc/79/47/21/408794721.db2.gz DPTKGNYWVGRBSF-LLVKDONJSA-N 1 1 321.381 1.280 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177989368 408752446 /nfs/dbraw/zinc/75/24/46/408752446.db2.gz MASKDINFEUFIKL-ZUZCIYMTSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177989368 408752450 /nfs/dbraw/zinc/75/24/50/408752450.db2.gz MASKDINFEUFIKL-ZUZCIYMTSA-N 1 1 323.349 1.387 20 5 DDBDMO COCC[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286036520 408911826 /nfs/dbraw/zinc/91/18/26/408911826.db2.gz GWXOMBCFDZQXSC-UHFFFAOYSA-N 1 1 323.378 1.368 20 5 DDBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000189881895 163123211 /nfs/dbraw/zinc/12/32/11/163123211.db2.gz LYTPFWYFHASZGP-CYBMUJFWSA-N 1 1 307.394 1.872 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191080224 163170695 /nfs/dbraw/zinc/17/06/95/163170695.db2.gz VOOLJULHKJJKTI-UHFFFAOYSA-N 1 1 311.363 1.064 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281842917 408940411 /nfs/dbraw/zinc/94/04/11/408940411.db2.gz YPJZGIBJCQSNMP-ZWNOBZJWSA-N 1 1 307.350 1.693 20 5 DDBDMO Cc1nn(C)c(N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286296834 408957692 /nfs/dbraw/zinc/95/76/92/408957692.db2.gz JFNPWRZQJYGONI-UHFFFAOYSA-N 1 1 315.377 1.957 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380129 408974162 /nfs/dbraw/zinc/97/41/62/408974162.db2.gz GQCPNUWKIGOSSU-DZGCQCFKSA-N 1 1 323.393 1.361 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277926118 409036069 /nfs/dbraw/zinc/03/60/69/409036069.db2.gz HJITYOKZFJMPDL-GFCCVEGCSA-N 1 1 307.350 1.354 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000293319467 409088840 /nfs/dbraw/zinc/08/88/40/409088840.db2.gz XMTJJNMDPJWGSU-CQSZACIVSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@H](O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000293319467 409088842 /nfs/dbraw/zinc/08/88/42/409088842.db2.gz XMTJJNMDPJWGSU-CQSZACIVSA-N 1 1 307.350 1.404 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293348111 409095885 /nfs/dbraw/zinc/09/58/85/409095885.db2.gz JVKUNBLDPVIUAQ-JOYOIKCWSA-N 1 1 315.333 1.295 20 5 DDBDMO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000294042200 409231561 /nfs/dbraw/zinc/23/15/61/409231561.db2.gz SMRZAQOEGHFFAJ-BETUJISGSA-N 1 1 321.377 1.915 20 5 DDBDMO O=CN1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000294163985 409252265 /nfs/dbraw/zinc/25/22/65/409252265.db2.gz IPTOKVWJNZHAQS-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO CC(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O ZINC000284157727 409286624 /nfs/dbraw/zinc/28/66/24/409286624.db2.gz PYJFASLTYIPVOB-LLVKDONJSA-N 1 1 310.310 1.493 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000303047224 409528000 /nfs/dbraw/zinc/52/80/00/409528000.db2.gz WXFJIQWSDCGWCJ-NWDGAFQWSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000303047224 409528003 /nfs/dbraw/zinc/52/80/03/409528003.db2.gz WXFJIQWSDCGWCJ-NWDGAFQWSA-N 1 1 307.350 1.687 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717256 409639784 /nfs/dbraw/zinc/63/97/84/409639784.db2.gz NLQOMXZSKVCMJJ-WFASDCNBSA-N 1 1 319.361 1.404 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717256 409639789 /nfs/dbraw/zinc/63/97/89/409639789.db2.gz NLQOMXZSKVCMJJ-WFASDCNBSA-N 1 1 319.361 1.404 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000356851425 409659944 /nfs/dbraw/zinc/65/99/44/409659944.db2.gz MPTRJULPERWSEL-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000356851425 409659950 /nfs/dbraw/zinc/65/99/50/409659950.db2.gz MPTRJULPERWSEL-BDAKNGLRSA-N 1 1 310.329 1.481 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000305468895 409754802 /nfs/dbraw/zinc/75/48/02/409754802.db2.gz XNLXJZRPCSGMCY-CQSZACIVSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000357308590 409967000 /nfs/dbraw/zinc/96/70/00/409967000.db2.gz WNYSRUZWRVXNEZ-WDEREUQCSA-N 1 1 321.381 1.621 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000342822152 409925530 /nfs/dbraw/zinc/92/55/30/409925530.db2.gz QQGLRTDUZREDNW-LBPRGKRZSA-N 1 1 310.402 1.014 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734769 410034082 /nfs/dbraw/zinc/03/40/82/410034082.db2.gz SZHZXKIUGRLADI-ZIAGYGMSSA-N 1 1 320.393 1.906 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000357457929 410051945 /nfs/dbraw/zinc/05/19/45/410051945.db2.gz WSCRCDGBGZIOJR-INIZCTEOSA-N 1 1 316.361 1.913 20 5 DDBDMO COc1c(C(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000357636366 410153449 /nfs/dbraw/zinc/15/34/49/410153449.db2.gz QEABSUIHDPOBSX-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000298842987 410420072 /nfs/dbraw/zinc/42/00/72/410420072.db2.gz IMKLYGUKAZJWAE-PHIMTYICSA-N 1 1 310.354 1.152 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347196001 410383374 /nfs/dbraw/zinc/38/33/74/410383374.db2.gz AVTHKQBOZCDTJZ-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790192 410400719 /nfs/dbraw/zinc/40/07/19/410400719.db2.gz JMXYLJIUKWVAQU-WDEREUQCSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790192 410400727 /nfs/dbraw/zinc/40/07/27/410400727.db2.gz JMXYLJIUKWVAQU-WDEREUQCSA-N 1 1 321.333 1.417 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343444155 410458805 /nfs/dbraw/zinc/45/88/05/410458805.db2.gz BACASZCRRBFRGP-ZYHUDNBSSA-N 1 1 309.370 1.089 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339759399 410443346 /nfs/dbraw/zinc/44/33/46/410443346.db2.gz ZEMSGDWNZBFYSL-UHFFFAOYSA-N 1 1 323.393 1.567 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355602898 410601513 /nfs/dbraw/zinc/60/15/13/410601513.db2.gz WHZWUSXATYUURM-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347425392 410541991 /nfs/dbraw/zinc/54/19/91/410541991.db2.gz HXYNXDWBQXWLBB-UHFFFAOYSA-N 1 1 323.397 1.338 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347438909 410546108 /nfs/dbraw/zinc/54/61/08/410546108.db2.gz WXJXEDILFBPVLY-LLVKDONJSA-N 1 1 301.350 2.434 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000301285355 410689765 /nfs/dbraw/zinc/68/97/65/410689765.db2.gz LNMLZXQKTZWBOO-ZDUSSCGKSA-N 1 1 322.384 1.950 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301310487 410695489 /nfs/dbraw/zinc/69/54/89/410695489.db2.gz ZRFOBRKCJCYHBM-AWEZNQCLSA-N 1 1 304.394 1.811 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330534945 410756815 /nfs/dbraw/zinc/75/68/15/410756815.db2.gz RIGMPZRAQGQFKJ-LBPRGKRZSA-N 1 1 324.381 1.020 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000330664889 410860813 /nfs/dbraw/zinc/86/08/13/410860813.db2.gz GSBIUPYNXNFQJF-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1C ZINC000330680326 410873328 /nfs/dbraw/zinc/87/33/28/410873328.db2.gz YLXIWHRSGMWGIC-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C ZINC000330680326 410873336 /nfs/dbraw/zinc/87/33/36/410873336.db2.gz YLXIWHRSGMWGIC-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1C ZINC000330680326 410873344 /nfs/dbraw/zinc/87/33/44/410873344.db2.gz YLXIWHRSGMWGIC-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359785336 410878770 /nfs/dbraw/zinc/87/87/70/410878770.db2.gz CSPMZIZKNVCDIJ-UHFFFAOYSA-N 1 1 318.337 1.239 20 5 DDBDMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000359947266 410967309 /nfs/dbraw/zinc/96/73/09/410967309.db2.gz ZSPUINYWDHOQSN-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000359947266 410967311 /nfs/dbraw/zinc/96/73/11/410967311.db2.gz ZSPUINYWDHOQSN-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356509432 411062242 /nfs/dbraw/zinc/06/22/42/411062242.db2.gz FLMDJMGJDFCSGF-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356509432 411062244 /nfs/dbraw/zinc/06/22/44/411062244.db2.gz FLMDJMGJDFCSGF-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCC1 ZINC000353478640 411017364 /nfs/dbraw/zinc/01/73/64/411017364.db2.gz FMYOJKOLWXZICB-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(O)CCC1 ZINC000353478640 411017368 /nfs/dbraw/zinc/01/73/68/411017368.db2.gz FMYOJKOLWXZICB-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331208985 411021081 /nfs/dbraw/zinc/02/10/81/411021081.db2.gz WHJBVOMOGOBAQI-QWHCGFSZSA-N 1 1 321.377 1.833 20 5 DDBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344202036 411023476 /nfs/dbraw/zinc/02/34/76/411023476.db2.gz AHHQXNPBMIJMBS-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000344370454 411096401 /nfs/dbraw/zinc/09/64/01/411096401.db2.gz HXIQAROTPOZZGG-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000344370454 411096405 /nfs/dbraw/zinc/09/64/05/411096405.db2.gz HXIQAROTPOZZGG-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353766009 411126167 /nfs/dbraw/zinc/12/61/67/411126167.db2.gz FXHQZEUANCKDFC-ZDUSSCGKSA-N 1 1 312.391 1.770 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353766009 411126168 /nfs/dbraw/zinc/12/61/68/411126168.db2.gz FXHQZEUANCKDFC-ZDUSSCGKSA-N 1 1 312.391 1.770 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000191758236 222108956 /nfs/dbraw/zinc/10/89/56/222108956.db2.gz XMAHFNPZSNKWDS-LBPRGKRZSA-N 1 1 323.397 1.806 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000191842518 222109926 /nfs/dbraw/zinc/10/99/26/222109926.db2.gz LAXKJRAHLXQQOY-GFCCVEGCSA-N 1 1 323.397 1.519 20 5 DDBDMO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400323 418634521 /nfs/dbraw/zinc/63/45/21/418634521.db2.gz BUPXGKJSNJVKFQ-QWHCGFSZSA-N 1 1 323.397 1.684 20 5 DDBDMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400323 418634524 /nfs/dbraw/zinc/63/45/24/418634524.db2.gz BUPXGKJSNJVKFQ-QWHCGFSZSA-N 1 1 323.397 1.684 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367982416 418668375 /nfs/dbraw/zinc/66/83/75/418668375.db2.gz JEHRQCUPTWCVQO-NSHDSACASA-N 1 1 323.349 1.180 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375720846 418675935 /nfs/dbraw/zinc/67/59/35/418675935.db2.gz STEMPIVLYGMUAE-UHFFFAOYSA-N 1 1 322.365 1.499 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000361586105 418687808 /nfs/dbraw/zinc/68/78/08/418687808.db2.gz LCDRNXUQOOIHQK-RISCZKNCSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000361586105 418687810 /nfs/dbraw/zinc/68/78/10/418687810.db2.gz LCDRNXUQOOIHQK-RISCZKNCSA-N 1 1 310.350 1.575 20 5 DDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CCCCC3)CC2)n1 ZINC000365507153 418868827 /nfs/dbraw/zinc/86/88/27/418868827.db2.gz GPSWAAKSHYPRPJ-UHFFFAOYSA-N 1 1 307.398 1.914 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000372728017 418896339 /nfs/dbraw/zinc/89/63/39/418896339.db2.gz QTPSCXCYIFKNJB-UHFFFAOYSA-N 1 1 308.382 1.967 20 5 DDBDMO CCCCCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373229418 418932708 /nfs/dbraw/zinc/93/27/08/418932708.db2.gz KWOSKYWUWUXTRD-UHFFFAOYSA-N 1 1 323.397 1.735 20 5 DDBDMO O=[N+]([O-])c1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000421847637 419749532 /nfs/dbraw/zinc/74/95/32/419749532.db2.gz XWFSAFWUXSOIBI-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CNCCO3)o2)cc1 ZINC000415096420 419940247 /nfs/dbraw/zinc/94/02/47/419940247.db2.gz PTEWGVXIPQHWRK-OAHLLOKOSA-N 1 1 317.345 1.933 20 5 DDBDMO CNC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430244147 420095051 /nfs/dbraw/zinc/09/50/51/420095051.db2.gz WWECYPYMBZHDDX-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO Cc1nc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301659662 229804982 /nfs/dbraw/zinc/80/49/82/229804982.db2.gz TWNSYRMWLSPTLW-LBPRGKRZSA-N 1 1 320.393 1.988 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439163691 420482848 /nfs/dbraw/zinc/48/28/48/420482848.db2.gz SYJUZZKADIOSDK-LBPRGKRZSA-N 1 1 320.393 1.862 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)o2)cc1 ZINC000459718021 420856399 /nfs/dbraw/zinc/85/63/99/420856399.db2.gz XHCSYBPJSKIOHS-IUODEOHRSA-N 1 1 318.329 1.640 20 5 DDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449355950 420995800 /nfs/dbraw/zinc/99/58/00/420995800.db2.gz ALSZDKBBTFKIBP-CYBMUJFWSA-N 1 1 320.345 1.606 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000449394343 421003912 /nfs/dbraw/zinc/00/39/12/421003912.db2.gz NTLPDSHHHAJCSZ-AWEZNQCLSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000449394343 421003916 /nfs/dbraw/zinc/00/39/16/421003916.db2.gz NTLPDSHHHAJCSZ-AWEZNQCLSA-N 1 1 311.357 1.670 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488725275 421107855 /nfs/dbraw/zinc/10/78/55/421107855.db2.gz ALCAOBWMBAYRQG-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488725275 421107859 /nfs/dbraw/zinc/10/78/59/421107859.db2.gz ALCAOBWMBAYRQG-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456205055 421119306 /nfs/dbraw/zinc/11/93/06/421119306.db2.gz BBLHIFLKSWMFIS-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000456205055 421119309 /nfs/dbraw/zinc/11/93/09/421119309.db2.gz BBLHIFLKSWMFIS-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455818477 421065951 /nfs/dbraw/zinc/06/59/51/421065951.db2.gz MGXQEPGMZSMXNO-NSHDSACASA-N 1 1 321.381 1.445 20 5 DDBDMO Cc1nc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)ncc1[N+](=O)[O-] ZINC000450384813 421191670 /nfs/dbraw/zinc/19/16/70/421191670.db2.gz CEQIYBURPAHTQM-GFCCVEGCSA-N 1 1 316.365 1.886 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000524776430 421270937 /nfs/dbraw/zinc/27/09/37/421270937.db2.gz DZSBPPOVUJPDPN-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000548125581 421404873 /nfs/dbraw/zinc/40/48/73/421404873.db2.gz XLDPXAYESZUCKX-CYBMUJFWSA-N 1 1 323.397 1.514 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058983 421566728 /nfs/dbraw/zinc/56/67/28/421566728.db2.gz VPGLWPNXDQXJBS-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000564058983 421566731 /nfs/dbraw/zinc/56/67/31/421566731.db2.gz VPGLWPNXDQXJBS-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633385 421640732 /nfs/dbraw/zinc/64/07/32/421640732.db2.gz NSUPXZBNLWTDIF-CYBMUJFWSA-N 1 1 322.365 1.076 20 5 DDBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000518758828 421665957 /nfs/dbraw/zinc/66/59/57/421665957.db2.gz CTHHHBZDDYCSLR-SNVBAGLBSA-N 1 1 318.337 1.403 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517214014 421600105 /nfs/dbraw/zinc/60/01/05/421600105.db2.gz HKYSAFNLDVCULA-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000536639860 421723446 /nfs/dbraw/zinc/72/34/46/421723446.db2.gz APQSADAIZHZYTN-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000536639860 421723448 /nfs/dbraw/zinc/72/34/48/421723448.db2.gz APQSADAIZHZYTN-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO C[N@@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000596151102 422366340 /nfs/dbraw/zinc/36/63/40/422366340.db2.gz NMMLZVYNZVROEV-UHFFFAOYSA-N 1 1 319.340 2.255 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CCCO1 ZINC000578386602 422560635 /nfs/dbraw/zinc/56/06/35/422560635.db2.gz QGCYQDKFOQPMGQ-LBPRGKRZSA-N 1 1 324.381 1.164 20 5 DDBDMO Cc1c(NC(=O)CCNCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000342135750 271313335 /nfs/dbraw/zinc/31/33/35/271313335.db2.gz QBPYOUNXGLJZLU-UHFFFAOYSA-N 1 1 306.366 1.703 20 5 DDBDMO Cc1c(NC(=O)CC[NH2+]CC2(N)CCC2)cccc1[N+](=O)[O-] ZINC000342135750 271313339 /nfs/dbraw/zinc/31/33/39/271313339.db2.gz QBPYOUNXGLJZLU-UHFFFAOYSA-N 1 1 306.366 1.703 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153858751 273719212 /nfs/dbraw/zinc/71/92/12/273719212.db2.gz GMKYJQBZKXGILH-NSHDSACASA-N 1 1 314.773 1.536 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCO)CC1 ZINC000175093914 274053137 /nfs/dbraw/zinc/05/31/37/274053137.db2.gz UJGUIXXOCSCTMB-UHFFFAOYSA-N 1 1 309.366 1.246 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000301526269 275036287 /nfs/dbraw/zinc/03/62/87/275036287.db2.gz JFGYDYIJSBVXJC-ZIAGYGMSSA-N 1 1 306.366 1.415 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067305 276041034 /nfs/dbraw/zinc/04/10/34/276041034.db2.gz BNZRVIHDUNNBKK-NXEZZACHSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067305 276041036 /nfs/dbraw/zinc/04/10/36/276041036.db2.gz BNZRVIHDUNNBKK-NXEZZACHSA-N 1 1 309.370 1.606 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000125591524 281011169 /nfs/dbraw/zinc/01/11/69/281011169.db2.gz KIPGIZZTYXCTJP-AWEZNQCLSA-N 1 1 320.393 1.847 20 5 DDBDMO CC[C@@H](C(N)=O)[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000364366516 300385076 /nfs/dbraw/zinc/38/50/76/300385076.db2.gz PTMPKUPGHFICHV-ZDUSSCGKSA-N 1 1 318.377 1.838 20 5 DDBDMO CC[C@@H](C(N)=O)[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000364366516 300385078 /nfs/dbraw/zinc/38/50/78/300385078.db2.gz PTMPKUPGHFICHV-ZDUSSCGKSA-N 1 1 318.377 1.838 20 5 DDBDMO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368475527 301036053 /nfs/dbraw/zinc/03/60/53/301036053.db2.gz TZCFCMGTRVHHPH-OAHLLOKOSA-N 1 1 305.334 1.380 20 5 DDBDMO O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368475527 301036055 /nfs/dbraw/zinc/03/60/55/301036055.db2.gz TZCFCMGTRVHHPH-OAHLLOKOSA-N 1 1 305.334 1.380 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000368519558 301047129 /nfs/dbraw/zinc/04/71/29/301047129.db2.gz QUANIECLBTVHRC-JGGQBBKZSA-N 1 1 322.361 1.445 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000369473838 301189501 /nfs/dbraw/zinc/18/95/01/301189501.db2.gz UFPJXCZFQYOQHD-HIFRSBDPSA-N 1 1 319.361 1.837 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377362863 302172835 /nfs/dbraw/zinc/17/28/35/302172835.db2.gz QSSHTEFZDMSRPO-ZJUUUORDSA-N 1 1 305.338 1.127 20 5 DDBDMO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377688091 302212274 /nfs/dbraw/zinc/21/22/74/302212274.db2.gz IHMBXLLDENHMKW-TUVASFSCSA-N 1 1 303.362 1.386 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cn1C ZINC000531193719 303234563 /nfs/dbraw/zinc/23/45/63/303234563.db2.gz XHWGZEULNLNWJZ-NEPJUHHUSA-N 1 1 306.366 1.632 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000532397892 303284989 /nfs/dbraw/zinc/28/49/89/303284989.db2.gz RQYDDURUGJALKF-TXEJJXNPSA-N 1 1 322.365 1.219 20 5 DDBDMO Cn1cc(C(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000547413713 303528772 /nfs/dbraw/zinc/52/87/72/303528772.db2.gz QIWAKEYVFFBWOQ-UHFFFAOYSA-N 1 1 317.349 1.452 20 5 DDBDMO Cn1nccc1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000363428795 307027906 /nfs/dbraw/zinc/02/79/06/307027906.db2.gz CRWFOOHRAXBMLC-GFCCVEGCSA-N 1 1 304.354 1.404 20 5 DDBDMO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090193 307085422 /nfs/dbraw/zinc/08/54/22/307085422.db2.gz VZMBTHBYAXXROO-GFCCVEGCSA-N 1 1 318.381 1.517 20 5 DDBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000367090193 307085423 /nfs/dbraw/zinc/08/54/23/307085423.db2.gz VZMBTHBYAXXROO-GFCCVEGCSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@@H]1COCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327768 307205926 /nfs/dbraw/zinc/20/59/26/307205926.db2.gz IORIEYDAQSQEDX-WFASDCNBSA-N 1 1 319.361 1.668 20 5 DDBDMO C[C@@H]1COCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327768 307205927 /nfs/dbraw/zinc/20/59/27/307205927.db2.gz IORIEYDAQSQEDX-WFASDCNBSA-N 1 1 319.361 1.668 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000576479978 308318086 /nfs/dbraw/zinc/31/80/86/308318086.db2.gz JNVXJSQBJHMXLE-JTQLQIEISA-N 1 1 303.746 1.111 20 5 DDBDMO C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1CCO ZINC000576579710 308324487 /nfs/dbraw/zinc/32/44/87/308324487.db2.gz JYCLYESVUJGCPL-LBPRGKRZSA-N 1 1 320.393 1.371 20 5 DDBDMO C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1CCO ZINC000576579710 308324488 /nfs/dbraw/zinc/32/44/88/308324488.db2.gz JYCLYESVUJGCPL-LBPRGKRZSA-N 1 1 320.393 1.371 20 5 DDBDMO Cc1nn(C)c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000582940396 337220003 /nfs/dbraw/zinc/22/00/03/337220003.db2.gz XYNFRDJSZJPTMR-NSHDSACASA-N 1 1 307.398 1.947 20 5 DDBDMO C[N@H+]1C[C@@]23CN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001120757299 782124811 /nfs/dbraw/zinc/12/48/11/782124811.db2.gz YROQTHDWRSVSKY-GASCZTMLSA-N 1 1 319.365 1.266 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425355469 490249614 /nfs/dbraw/zinc/24/96/14/490249614.db2.gz LTVWAGOZHLZUCL-NSHDSACASA-N 1 1 303.322 1.711 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305768954 534030361 /nfs/dbraw/zinc/03/03/61/534030361.db2.gz VJXIKCWAOIZXTL-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000321070622 534316772 /nfs/dbraw/zinc/31/67/72/534316772.db2.gz KINWXFQWDWCQOD-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416731803 534361554 /nfs/dbraw/zinc/36/15/54/534361554.db2.gz ORGDMNPVXXSNTO-NEPJUHHUSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416731803 534361561 /nfs/dbraw/zinc/36/15/61/534361561.db2.gz ORGDMNPVXXSNTO-NEPJUHHUSA-N 1 1 322.365 1.514 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000331931230 534714530 /nfs/dbraw/zinc/71/45/30/534714530.db2.gz NXOOEPZMKMQWMT-UHFFFAOYSA-N 1 1 318.337 1.609 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000299652233 534775778 /nfs/dbraw/zinc/77/57/78/534775778.db2.gz PPSLNMMTVMAOQL-UHFFFAOYSA-N 1 1 317.349 1.941 20 5 DDBDMO CC[N@H+]1CC[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413826056 527854100 /nfs/dbraw/zinc/85/41/00/527854100.db2.gz AFENZBMADOVWCN-AWEZNQCLSA-N 1 1 318.377 1.757 20 5 DDBDMO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000106857668 696628090 /nfs/dbraw/zinc/62/80/90/696628090.db2.gz IYKBSVNIDDGUFR-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000106857668 696628092 /nfs/dbraw/zinc/62/80/92/696628092.db2.gz IYKBSVNIDDGUFR-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000176105364 697401645 /nfs/dbraw/zinc/40/16/45/697401645.db2.gz OHTWCNIRCFIQPZ-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000776581636 698121111 /nfs/dbraw/zinc/12/11/11/698121111.db2.gz FQAHGJLKHUBMJI-HZPDHXFCSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000776581636 698121114 /nfs/dbraw/zinc/12/11/14/698121114.db2.gz FQAHGJLKHUBMJI-HZPDHXFCSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000776581636 698121115 /nfs/dbraw/zinc/12/11/15/698121115.db2.gz FQAHGJLKHUBMJI-HZPDHXFCSA-N 1 1 305.378 1.797 20 5 DDBDMO COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000786193004 699133638 /nfs/dbraw/zinc/13/36/38/699133638.db2.gz VYNCWUNIDXTWLO-GJZGRUSLSA-N 1 1 310.350 1.366 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000711727605 699259899 /nfs/dbraw/zinc/25/98/99/699259899.db2.gz SKVXXMAYMJRCQB-PELKAZGASA-N 1 1 318.782 1.771 20 5 DDBDMO C[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726590693 699369599 /nfs/dbraw/zinc/36/95/99/699369599.db2.gz QORFNAGFDWEQSE-LLVKDONJSA-N 1 1 318.333 1.663 20 5 DDBDMO C[C@@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726590693 699369602 /nfs/dbraw/zinc/36/96/02/699369602.db2.gz QORFNAGFDWEQSE-LLVKDONJSA-N 1 1 318.333 1.663 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802139489 700372744 /nfs/dbraw/zinc/37/27/44/700372744.db2.gz CQNBCHBRSRLAEK-HNNXBMFYSA-N 1 1 322.361 1.790 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000762709378 700903535 /nfs/dbraw/zinc/90/35/35/700903535.db2.gz VEKCTLWXSPVQKD-UHFFFAOYSA-N 1 1 318.377 1.867 20 5 DDBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000763880990 700951657 /nfs/dbraw/zinc/95/16/57/700951657.db2.gz KRTHVYCOCOKXLP-CYBMUJFWSA-N 1 1 300.742 1.831 20 5 DDBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000763880990 700951658 /nfs/dbraw/zinc/95/16/58/700951658.db2.gz KRTHVYCOCOKXLP-CYBMUJFWSA-N 1 1 300.742 1.831 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000765937658 701030604 /nfs/dbraw/zinc/03/06/04/701030604.db2.gz UQMWLHGUCHJVET-QWRGUYRKSA-N 1 1 306.366 1.732 20 5 DDBDMO Cc1nonc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000809744242 701684817 /nfs/dbraw/zinc/68/48/17/701684817.db2.gz CIYZOQIYMNOYAK-SECBINFHSA-N 1 1 319.321 1.793 20 5 DDBDMO COCC[N@@H+](C)CCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804350539 701181693 /nfs/dbraw/zinc/18/16/93/701181693.db2.gz QKRBSIAHFJVSHS-UHFFFAOYSA-N 1 1 312.326 1.883 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839671025 701775454 /nfs/dbraw/zinc/77/54/54/701775454.db2.gz XXRQWNAXSOWXOL-HIFRSBDPSA-N 1 1 321.377 1.617 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000867945023 701846471 /nfs/dbraw/zinc/84/64/71/701846471.db2.gz OHMZJSURKUKOKP-RWSFTLGLSA-N 1 1 307.350 1.405 20 5 DDBDMO C[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCC1(C)C ZINC000866113064 706621920 /nfs/dbraw/zinc/62/19/20/706621920.db2.gz RKNNNBVQAYKVKO-UHFFFAOYSA-N 1 1 306.366 1.614 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000866210231 706649488 /nfs/dbraw/zinc/64/94/88/706649488.db2.gz ZTVKBWRTQQZKTQ-QMTHXVAHSA-N 1 1 306.366 1.200 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000866210232 706649525 /nfs/dbraw/zinc/64/95/25/706649525.db2.gz ZTVKBWRTQQZKTQ-YGRLFVJLSA-N 1 1 306.366 1.200 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000812876673 702256937 /nfs/dbraw/zinc/25/69/37/702256937.db2.gz OGRVMWVDKNDWRN-GJZGRUSLSA-N 1 1 302.334 1.772 20 5 DDBDMO COc1cc(Cc2noc(C3([NH3+])CC3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226232 702846085 /nfs/dbraw/zinc/84/60/85/702846085.db2.gz XAUMJLXCEVSRQN-UHFFFAOYSA-N 1 1 320.305 1.534 20 5 DDBDMO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362906 702866902 /nfs/dbraw/zinc/86/69/02/702866902.db2.gz UNHAUDYIRSHNQE-GHMZBOCLSA-N 1 1 324.356 1.732 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879572789 706722540 /nfs/dbraw/zinc/72/25/40/706722540.db2.gz RIDSMFZWWURFQI-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO CON(C)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539499 706728092 /nfs/dbraw/zinc/72/80/92/706728092.db2.gz SIWUMORMCLKVJY-ZDUSSCGKSA-N 1 1 307.350 1.794 20 5 DDBDMO CON(C)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539499 706728094 /nfs/dbraw/zinc/72/80/94/706728094.db2.gz SIWUMORMCLKVJY-ZDUSSCGKSA-N 1 1 307.350 1.794 20 5 DDBDMO CC1(C)C[C@H](O)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614940 706738805 /nfs/dbraw/zinc/73/88/05/706738805.db2.gz CKUFJPJTQLUXPA-KBPBESRZSA-N 1 1 324.377 1.427 20 5 DDBDMO COCCC[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474621 703554675 /nfs/dbraw/zinc/55/46/75/703554675.db2.gz FFFXIHNSNCUYBI-OAHLLOKOSA-N 1 1 321.377 1.837 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869781557 703851348 /nfs/dbraw/zinc/85/13/48/703851348.db2.gz RJASTAFHZYPGCU-LBPRGKRZSA-N 1 1 321.377 1.478 20 5 DDBDMO CC1(C)OC[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000852150841 703946126 /nfs/dbraw/zinc/94/61/26/703946126.db2.gz AKGMPAJUHDFKLT-LBPRGKRZSA-N 1 1 322.365 1.263 20 5 DDBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1c[nH]cn1 ZINC000852288235 703997684 /nfs/dbraw/zinc/99/76/84/703997684.db2.gz LXVFZFOPNGYQRV-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1c[nH]cn1 ZINC000852288235 703997688 /nfs/dbraw/zinc/99/76/88/703997688.db2.gz LXVFZFOPNGYQRV-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cnc[nH]1 ZINC000852288235 703997692 /nfs/dbraw/zinc/99/76/92/703997692.db2.gz LXVFZFOPNGYQRV-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cnc[nH]1 ZINC000852288235 703997695 /nfs/dbraw/zinc/99/76/95/703997695.db2.gz LXVFZFOPNGYQRV-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO CCC[N@@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979992 704041623 /nfs/dbraw/zinc/04/16/23/704041623.db2.gz FNOSITSFMQDNHV-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979992 704041627 /nfs/dbraw/zinc/04/16/27/704041627.db2.gz FNOSITSFMQDNHV-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986350 704043205 /nfs/dbraw/zinc/04/32/05/704043205.db2.gz MDRQUWGJTPBOFQ-ARFHVFGLSA-N 1 1 321.377 1.081 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000818986350 704043208 /nfs/dbraw/zinc/04/32/08/704043208.db2.gz MDRQUWGJTPBOFQ-ARFHVFGLSA-N 1 1 321.377 1.081 20 5 DDBDMO CN(C)c1nc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819128160 704073065 /nfs/dbraw/zinc/07/30/65/704073065.db2.gz GDZRSXBQNMRTMV-ZDUSSCGKSA-N 1 1 322.390 1.941 20 5 DDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819176516 704081652 /nfs/dbraw/zinc/08/16/52/704081652.db2.gz FCIVOQBBWVMQDM-BONVTDFDSA-N 1 1 304.350 1.881 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1CC[N@@H+](CC)C1 ZINC000855490881 704487487 /nfs/dbraw/zinc/48/74/87/704487487.db2.gz LGRBEUSZTVFDPO-LBPRGKRZSA-N 1 1 306.366 1.733 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000855528893 704490916 /nfs/dbraw/zinc/49/09/16/704490916.db2.gz JQVKTQOHZPTCDW-HUUCEWRRSA-N 1 1 318.377 1.075 20 5 DDBDMO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858435831 704710888 /nfs/dbraw/zinc/71/08/88/704710888.db2.gz UXTFIGKDAYFTIT-BXKDBHETSA-N 1 1 305.338 1.295 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000880439805 706977161 /nfs/dbraw/zinc/97/71/61/706977161.db2.gz KKKXJTYLJFOVQR-JHJVBQTASA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000859585811 704943875 /nfs/dbraw/zinc/94/38/75/704943875.db2.gz CYNLNNOECVNSAF-INIZCTEOSA-N 1 1 316.361 1.775 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836915 705193607 /nfs/dbraw/zinc/19/36/07/705193607.db2.gz IDKKXSPBGAGTDT-NWDGAFQWSA-N 1 1 304.350 1.486 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850085 705203231 /nfs/dbraw/zinc/20/32/31/705203231.db2.gz NUJBKPZLAIGDOE-QWHCGFSZSA-N 1 1 304.350 1.486 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000861386678 705453041 /nfs/dbraw/zinc/45/30/41/705453041.db2.gz KBUJUJHAKDRBRD-UHFFFAOYSA-N 1 1 308.290 1.229 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378907 705658515 /nfs/dbraw/zinc/65/85/15/705658515.db2.gz IXCDWRQYSZWIDU-SMDDNHRTSA-N 1 1 307.350 1.086 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000862793315 705799709 /nfs/dbraw/zinc/79/97/09/705799709.db2.gz MONQSOJZCPMAPL-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO Cc1nn(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000863338959 705906517 /nfs/dbraw/zinc/90/65/17/705906517.db2.gz XPRRLXUJQHWVTD-ZWNOBZJWSA-N 1 1 316.317 1.315 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000863338959 705906521 /nfs/dbraw/zinc/90/65/21/705906521.db2.gz XPRRLXUJQHWVTD-ZWNOBZJWSA-N 1 1 316.317 1.315 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374741 705988940 /nfs/dbraw/zinc/98/89/40/705988940.db2.gz PPCLBPGGUZHLBR-UONOGXRCSA-N 1 1 303.362 1.690 20 5 DDBDMO CCOC(=O)[C@@H](C)C1C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993184 707272703 /nfs/dbraw/zinc/27/27/03/707272703.db2.gz MHTJCIKNHLKMQT-XHDPSFHLSA-N 1 1 322.361 1.759 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1Cl ZINC000877798037 706219208 /nfs/dbraw/zinc/21/92/08/706219208.db2.gz GFMHIVMXKZRBJM-UHFFFAOYSA-N 1 1 314.769 1.815 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449524 706334946 /nfs/dbraw/zinc/33/49/46/706334946.db2.gz CEDNZBPSZOMRCU-ILXRZTDVSA-N 1 1 303.362 1.909 20 5 DDBDMO O=C1[C@H]([N@H+]2CC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296674 706932047 /nfs/dbraw/zinc/93/20/47/706932047.db2.gz FSVYVZSPYRBSOS-SMDDNHRTSA-N 1 1 307.325 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCCC3)nn2)cc1F ZINC000881213968 707155623 /nfs/dbraw/zinc/15/56/23/707155623.db2.gz VZYZLPFCQLLKEI-UHFFFAOYSA-N 1 1 305.313 1.970 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000882766582 707783073 /nfs/dbraw/zinc/78/30/73/707783073.db2.gz LIVGHCPKKWCRKY-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000882766582 707783075 /nfs/dbraw/zinc/78/30/75/707783075.db2.gz LIVGHCPKKWCRKY-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO C[C@](O)(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000885935286 708666262 /nfs/dbraw/zinc/66/62/62/708666262.db2.gz HGQQXSSGELMJIT-AWEZNQCLSA-N 1 1 315.320 1.733 20 5 DDBDMO COC(=O)N[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886863815 708870321 /nfs/dbraw/zinc/87/03/21/708870321.db2.gz URKAKMZKGVMWSD-NSHDSACASA-N 1 1 309.322 1.404 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912739801 713079631 /nfs/dbraw/zinc/07/96/31/713079631.db2.gz HQIDKFGNWOXHQI-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912739801 713079634 /nfs/dbraw/zinc/07/96/34/713079634.db2.gz HQIDKFGNWOXHQI-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900159756 709311034 /nfs/dbraw/zinc/31/10/34/709311034.db2.gz PVFIATGNZBNBEY-IUODEOHRSA-N 1 1 307.350 1.008 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267540 709512433 /nfs/dbraw/zinc/51/24/33/709512433.db2.gz HQYHBQJVYCXDMH-XEGUGMAKSA-N 1 1 307.350 1.227 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912876248 713113116 /nfs/dbraw/zinc/11/31/16/713113116.db2.gz CSRBBNHHRVGRMA-UHFFFAOYSA-N 1 1 321.381 1.752 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000892418659 710434231 /nfs/dbraw/zinc/43/42/31/710434231.db2.gz RZWLIUXWTUALKB-GXTWGEPZSA-N 1 1 304.350 1.440 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739894 711262745 /nfs/dbraw/zinc/26/27/45/711262745.db2.gz AXMSJKFAXPKWHH-KGLIPLIRSA-N 1 1 319.409 1.866 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000894940593 711330259 /nfs/dbraw/zinc/33/02/59/711330259.db2.gz UHQNOCLNVBUOGF-ZYHUDNBSSA-N 1 1 310.350 1.902 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545979 713253184 /nfs/dbraw/zinc/25/31/84/713253184.db2.gz DZAWFIZLIYTBBQ-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@H+](C)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545979 713253186 /nfs/dbraw/zinc/25/31/86/713253186.db2.gz DZAWFIZLIYTBBQ-RZXPCSSPSA-N 1 1 319.361 1.133 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580798 711758323 /nfs/dbraw/zinc/75/83/23/711758323.db2.gz IYKJTLDPURECNG-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000913930633 713321439 /nfs/dbraw/zinc/32/14/39/713321439.db2.gz KEDWXUQPKIHLSM-RISCZKNCSA-N 1 1 321.381 1.399 20 5 DDBDMO C[C@@](CO)([NH2+]CC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000930451454 713838194 /nfs/dbraw/zinc/83/81/94/713838194.db2.gz QNIHCYIGDIDMOM-NSHDSACASA-N 1 1 303.156 1.523 20 5 DDBDMO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000931317903 714065025 /nfs/dbraw/zinc/06/50/25/714065025.db2.gz INCKUEXYHIFNTF-UHFFFAOYSA-N 1 1 300.318 1.957 20 5 DDBDMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000931317903 714065028 /nfs/dbraw/zinc/06/50/28/714065028.db2.gz INCKUEXYHIFNTF-UHFFFAOYSA-N 1 1 300.318 1.957 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)n1 ZINC000923269892 714291619 /nfs/dbraw/zinc/29/16/19/714291619.db2.gz WHNZBYVKPVZMHC-MNOVXSKESA-N 1 1 307.354 1.120 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000923274473 714293540 /nfs/dbraw/zinc/29/35/40/714293540.db2.gz NOZCNCASXPGFGG-NWDGAFQWSA-N 1 1 305.334 1.609 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000923274473 714293542 /nfs/dbraw/zinc/29/35/42/714293542.db2.gz NOZCNCASXPGFGG-NWDGAFQWSA-N 1 1 305.334 1.609 20 5 DDBDMO CC1(C)C[NH2+]CC[C@@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923369577 714330726 /nfs/dbraw/zinc/33/07/26/714330726.db2.gz KZNCDGMDVNUSMO-WFASDCNBSA-N 1 1 323.393 1.312 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933560410 714617123 /nfs/dbraw/zinc/61/71/23/714617123.db2.gz UWINTAAYUBDXEA-KCPJHIHWSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933560410 714617125 /nfs/dbraw/zinc/61/71/25/714617125.db2.gz UWINTAAYUBDXEA-KCPJHIHWSA-N 1 1 303.362 1.861 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933684388 714647842 /nfs/dbraw/zinc/64/78/42/714647842.db2.gz ARKIRYPUHBUNEN-KGLIPLIRSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933684388 714647844 /nfs/dbraw/zinc/64/78/44/714647844.db2.gz ARKIRYPUHBUNEN-KGLIPLIRSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923258 721849045 /nfs/dbraw/zinc/84/90/45/721849045.db2.gz UPJXCWCOVAEYTF-LSDHHAIUSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923258 721849048 /nfs/dbraw/zinc/84/90/48/721849048.db2.gz UPJXCWCOVAEYTF-LSDHHAIUSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1c(C)c(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165038252 721911621 /nfs/dbraw/zinc/91/16/21/721911621.db2.gz MLUBVLGUZPJVHN-CQSZACIVSA-N 1 1 320.393 1.908 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001121197464 782403672 /nfs/dbraw/zinc/40/36/72/782403672.db2.gz ASSVUBAEDOONDS-ZLKJLUDKSA-N 1 1 319.361 1.673 20 5 DDBDMO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775358 736852519 /nfs/dbraw/zinc/85/25/19/736852519.db2.gz RYLOMLOEHWKWFU-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775358 736852524 /nfs/dbraw/zinc/85/25/24/736852524.db2.gz RYLOMLOEHWKWFU-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775358 736852532 /nfs/dbraw/zinc/85/25/32/736852532.db2.gz RYLOMLOEHWKWFU-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471364 748265320 /nfs/dbraw/zinc/26/53/20/748265320.db2.gz FPNNULGSUSBUSD-ZYDHHDLOSA-N 1 1 309.410 1.979 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095605317 750073204 /nfs/dbraw/zinc/07/32/04/750073204.db2.gz FLEBRHROAIIJKR-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169029689 762186590 /nfs/dbraw/zinc/18/65/90/762186590.db2.gz VFSCUCSJTKGPJQ-JHJVBQTASA-N 1 1 312.366 1.276 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169017560 762198309 /nfs/dbraw/zinc/19/83/09/762198309.db2.gz AOKLOEYQEHEVGY-SNPRPXQTSA-N 1 1 322.409 1.801 20 5 DDBDMO CCn1nnc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2COC ZINC001169022286 762200666 /nfs/dbraw/zinc/20/06/66/762200666.db2.gz RQTAVOGLFBBUGT-YRGRVCCFSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2COC ZINC001169022286 762200671 /nfs/dbraw/zinc/20/06/71/762200671.db2.gz RQTAVOGLFBBUGT-YRGRVCCFSA-N 1 1 323.397 1.289 20 5 DDBDMO CCc1ncnc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022088 762201144 /nfs/dbraw/zinc/20/11/44/762201144.db2.gz MUIQWQQEPFJXOS-QWHCGFSZSA-N 1 1 304.394 1.885 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084454 760945139 /nfs/dbraw/zinc/94/51/39/760945139.db2.gz RVSYIQJUTPENSI-LXTVHRRPSA-N 1 1 309.410 1.716 20 5 DDBDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157261462 764729440 /nfs/dbraw/zinc/72/94/40/764729440.db2.gz RJNHITOONJUISB-VHSXEESVSA-N 1 1 311.773 1.877 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001048814643 769933745 /nfs/dbraw/zinc/93/37/45/769933745.db2.gz VQBISLMMABXXGF-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001048814643 769933753 /nfs/dbraw/zinc/93/37/53/769933753.db2.gz VQBISLMMABXXGF-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001048814643 769933760 /nfs/dbraw/zinc/93/37/60/769933760.db2.gz VQBISLMMABXXGF-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170900528 771898953 /nfs/dbraw/zinc/89/89/53/771898953.db2.gz VKSVOVPJBCVIDZ-SNVBAGLBSA-N 1 1 308.260 1.929 20 5 DDBDMO Cc1nc(NCCNC(=O)C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001094221799 775543513 /nfs/dbraw/zinc/54/35/13/775543513.db2.gz RHBKZYSTEFYZIH-UHFFFAOYSA-N 1 1 321.381 1.311 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094517600 775975850 /nfs/dbraw/zinc/97/58/50/775975850.db2.gz ZNZDMCHMEWRVKB-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001173223391 777056934 /nfs/dbraw/zinc/05/69/34/777056934.db2.gz ZNSRRHMZRJZCMO-UHOFOFEASA-N 1 1 308.378 1.591 20 5 DDBDMO COC(=O)[C@H]1C[N@H+](C)CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230953 777063490 /nfs/dbraw/zinc/06/34/90/777063490.db2.gz GYMSYWLIQDHJTM-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230953 777063493 /nfs/dbraw/zinc/06/34/93/777063493.db2.gz GYMSYWLIQDHJTM-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101704314 777413715 /nfs/dbraw/zinc/41/37/15/777413715.db2.gz BAMPLOPYNFRKSE-UHFFFAOYSA-N 1 1 308.382 1.807 20 5 DDBDMO O=C(NCC1([NH2+]CCCF)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530537 780217517 /nfs/dbraw/zinc/21/75/17/780217517.db2.gz CFUQLAUGWQOOCY-VXGBXAGGSA-N 1 1 301.362 1.420 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266254850 835993216 /nfs/dbraw/zinc/99/32/16/835993216.db2.gz XMGGCWCZXKTZTQ-UHFFFAOYSA-N 1 1 320.393 1.239 20 5 DDBDMO CC[N@@H+](CCNC(=O)CC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC001266388141 836196438 /nfs/dbraw/zinc/19/64/38/836196438.db2.gz SUCYROAQCHUSLG-UHFFFAOYSA-N 1 1 323.393 1.694 20 5 DDBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)O ZINC001268235838 839869316 /nfs/dbraw/zinc/86/93/16/839869316.db2.gz PCFQJUHSSZRRTI-UHFFFAOYSA-N 1 1 323.393 1.646 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC001327617511 862321482 /nfs/dbraw/zinc/32/14/82/862321482.db2.gz SUTBYDWDJDYHGD-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001072726023 857642218 /nfs/dbraw/zinc/64/22/18/857642218.db2.gz XWPBCBWHVDRPCF-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001072726023 857642223 /nfs/dbraw/zinc/64/22/23/857642223.db2.gz XWPBCBWHVDRPCF-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001072726023 857642227 /nfs/dbraw/zinc/64/22/27/857642227.db2.gz XWPBCBWHVDRPCF-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001156827423 863371370 /nfs/dbraw/zinc/37/13/70/863371370.db2.gz DNYXBSOALJLGHD-LBPRGKRZSA-N 1 1 323.397 1.336 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)n1 ZINC001157263711 863690676 /nfs/dbraw/zinc/69/06/76/863690676.db2.gz BLGDZVAIBDNVEI-QWRGUYRKSA-N 1 1 307.354 1.232 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])cc1C ZINC001159453428 865308483 /nfs/dbraw/zinc/30/84/83/865308483.db2.gz QPLTYOMXVSWRJS-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO Cc1nsc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277055666 881913220 /nfs/dbraw/zinc/91/32/20/881913220.db2.gz SUJOOQYXELBFPU-ZYHUDNBSSA-N 1 1 324.406 1.164 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001161042338 866310520 /nfs/dbraw/zinc/31/05/20/866310520.db2.gz MHTHJFACDMPZMD-GKUNOOHESA-N 1 1 320.349 1.743 20 5 DDBDMO C[N@@H+]1CCCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022415 868684903 /nfs/dbraw/zinc/68/49/03/868684903.db2.gz XYWIZRYWSFNJMA-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022415 868684911 /nfs/dbraw/zinc/68/49/11/868684911.db2.gz XYWIZRYWSFNJMA-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001164401246 869179386 /nfs/dbraw/zinc/17/93/86/869179386.db2.gz WSEYNHTZIAUDPS-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO Cc1ncoc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494772 869233468 /nfs/dbraw/zinc/23/34/68/869233468.db2.gz RLDPJEHEKWVBNH-VXGBXAGGSA-N 1 1 322.365 1.024 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCN(CCF)CC2)ncc1[N+](=O)[O-] ZINC001165102815 869377490 /nfs/dbraw/zinc/37/74/90/869377490.db2.gz MRSCFGMVWNTRNX-HWKANZROSA-N 1 1 323.372 1.614 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC001297359024 870002030 /nfs/dbraw/zinc/00/20/30/870002030.db2.gz KPMWHRDDXGVVBJ-TZMCWYRMSA-N 1 1 322.340 1.435 20 5 DDBDMO NC(=O)[C@H]1CN(c2ccc3ccc4cccnc4c3n2)CC[NH2+]1 ZINC001166723920 870193419 /nfs/dbraw/zinc/19/34/19/870193419.db2.gz NQHPTGPOIZTHPZ-CYBMUJFWSA-N 1 1 307.357 1.047 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001339340145 870452086 /nfs/dbraw/zinc/45/20/86/870452086.db2.gz MOXKTVBMGJSKGB-AVGNSLFASA-N 1 1 324.429 1.802 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001298334972 870477962 /nfs/dbraw/zinc/47/79/62/870477962.db2.gz UULLNWLTKGCFHS-RYUDHWBXSA-N 1 1 323.324 1.228 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001298334972 870477965 /nfs/dbraw/zinc/47/79/65/870477965.db2.gz UULLNWLTKGCFHS-RYUDHWBXSA-N 1 1 323.324 1.228 20 5 DDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(F)(F)C[NH3+] ZINC001353613407 877449498 /nfs/dbraw/zinc/44/94/98/877449498.db2.gz OAYYFAPFBYVBMB-UHFFFAOYSA-N 1 1 305.306 1.641 20 5 DDBDMO CC(=O)OC[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979258 877849319 /nfs/dbraw/zinc/84/93/19/877849319.db2.gz IVCUPLLQTJGKBN-ZDUSSCGKSA-N 1 1 324.340 1.612 20 5 DDBDMO Cc1nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378387 883952193 /nfs/dbraw/zinc/95/21/93/883952193.db2.gz LGPROPQCHRJJTK-PEGIJTEDSA-N 1 1 308.338 1.508 20 5 DDBDMO Cc1nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378387 883952199 /nfs/dbraw/zinc/95/21/99/883952199.db2.gz LGPROPQCHRJJTK-PEGIJTEDSA-N 1 1 308.338 1.508 20 5 DDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231462 884381522 /nfs/dbraw/zinc/38/15/22/884381522.db2.gz KKVKIWCBEQOFRM-MSRIBSCDSA-N 1 1 317.349 1.975 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001292121277 913618394 /nfs/dbraw/zinc/61/83/94/913618394.db2.gz BODYNMRKDSLSAX-LLVKDONJSA-N 1 1 319.361 1.960 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001292121278 913619500 /nfs/dbraw/zinc/61/95/00/913619500.db2.gz BODYNMRKDSLSAX-NSHDSACASA-N 1 1 319.361 1.960 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1nc2ccc(C[NH+](C)C)cc2[nH]1 ZINC001251784927 894814414 /nfs/dbraw/zinc/81/44/14/894814414.db2.gz NGDGRHHXJVBJIL-UHFFFAOYSA-N 1 1 300.322 1.933 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001254553826 896499012 /nfs/dbraw/zinc/49/90/12/896499012.db2.gz ZQALIKTUIKTVQP-WQVCFCJDSA-N 1 1 308.378 1.591 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599698 896525525 /nfs/dbraw/zinc/52/55/25/896525525.db2.gz PAFWHLFEUPVTHR-WFASDCNBSA-N 1 1 304.346 1.947 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](n3cncn3)C1)C2 ZINC001254604343 896527533 /nfs/dbraw/zinc/52/75/33/896527533.db2.gz VUOYQSNAEDPGDC-HZPDHXFCSA-N 1 1 313.361 1.991 20 5 DDBDMO CCN1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610651 896530563 /nfs/dbraw/zinc/53/05/63/896530563.db2.gz MGUOIRDTPNIZHY-BFYDXBDKSA-N 1 1 301.390 1.946 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])c2cccnc21 ZINC001262371464 900135577 /nfs/dbraw/zinc/13/55/77/900135577.db2.gz MFVQOFDEUHDOPL-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO Cc1c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC001263980533 900854439 /nfs/dbraw/zinc/85/44/39/900854439.db2.gz YCHIWWFHESJOCV-IACUBPJLSA-N 1 1 303.362 1.973 20 5 DDBDMO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000278376202 214126324 /nfs/dbraw/zinc/12/63/24/214126324.db2.gz DTEKGMJHBFBTON-QWRGUYRKSA-N 1 1 319.365 1.992 20 5 DDBDMO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1O ZINC000614661515 361968047 /nfs/dbraw/zinc/96/80/47/361968047.db2.gz KLGVOJKKCKPLNO-GWCFXTLKSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1O ZINC000614661515 361968054 /nfs/dbraw/zinc/96/80/54/361968054.db2.gz KLGVOJKKCKPLNO-GWCFXTLKSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551642 185302772 /nfs/dbraw/zinc/30/27/72/185302772.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551642 185302773 /nfs/dbraw/zinc/30/27/73/185302773.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551642 185302774 /nfs/dbraw/zinc/30/27/74/185302774.db2.gz NNRGUYRPHWFPJU-STQMWFEESA-N 1 1 308.382 1.171 20 5 DDBDMO COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000272809069 210211342 /nfs/dbraw/zinc/21/13/42/210211342.db2.gz IWSBTQUUXYHOHR-GFCCVEGCSA-N 1 1 320.349 1.915 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000331844450 529793747 /nfs/dbraw/zinc/79/37/47/529793747.db2.gz UCVZSXPOONHHRC-JTQLQIEISA-N 1 1 302.334 1.758 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000451248824 529871492 /nfs/dbraw/zinc/87/14/92/529871492.db2.gz PCCHEKMZZZUOJF-UHFFFAOYSA-N 1 1 309.366 1.874 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000279739385 215106029 /nfs/dbraw/zinc/10/60/29/215106029.db2.gz OOTJFTHMYNRQMO-AWEZNQCLSA-N 1 1 323.393 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279816735 215172689 /nfs/dbraw/zinc/17/26/89/215172689.db2.gz QGCHQCSPVKMDHY-MFKMUULPSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279816735 215172693 /nfs/dbraw/zinc/17/26/93/215172693.db2.gz QGCHQCSPVKMDHY-MFKMUULPSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000159733741 186138018 /nfs/dbraw/zinc/13/80/18/186138018.db2.gz LMGJGBSJFCDXNN-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000266849090 186358374 /nfs/dbraw/zinc/35/83/74/186358374.db2.gz QBOPVBYYCFYYRJ-OLZOCXBDSA-N 1 1 308.382 1.580 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC)C1 ZINC000267839554 186372270 /nfs/dbraw/zinc/37/22/70/186372270.db2.gz UDTLKZJMRWVYEJ-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086609 215365577 /nfs/dbraw/zinc/36/55/77/215365577.db2.gz OETZZGNDABLOOQ-GDBMZVCRSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000036830941 352296327 /nfs/dbraw/zinc/29/63/27/352296327.db2.gz ZLLXNAPIDRQLBT-BETUJISGSA-N 1 1 321.377 1.824 20 5 DDBDMO COC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172890037 198164028 /nfs/dbraw/zinc/16/40/28/198164028.db2.gz HBATWPMFRKLTNA-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172890037 198164030 /nfs/dbraw/zinc/16/40/30/198164030.db2.gz HBATWPMFRKLTNA-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO CNc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000047676809 352508196 /nfs/dbraw/zinc/50/81/96/352508196.db2.gz NBMMTPIQPRDQQY-UHFFFAOYSA-N 1 1 317.349 1.962 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCn1cc[nH+]c1C ZINC000052229695 352604565 /nfs/dbraw/zinc/60/45/65/352604565.db2.gz XOSRESCDUDALAL-UHFFFAOYSA-N 1 1 319.321 1.930 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063665365 352918737 /nfs/dbraw/zinc/91/87/37/352918737.db2.gz KGQOLYTWQWWBLR-ZDUSSCGKSA-N 1 1 323.397 1.562 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173390577 198209433 /nfs/dbraw/zinc/20/94/33/198209433.db2.gz NLXSAWLBIPJLLC-ZIAGYGMSSA-N 1 1 306.410 1.881 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000174653028 198365934 /nfs/dbraw/zinc/36/59/34/198365934.db2.gz DNKYIJWLSQBBSB-UHFFFAOYSA-N 1 1 315.333 1.845 20 5 DDBDMO Cc1cnc(N2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000078665344 353527476 /nfs/dbraw/zinc/52/74/76/353527476.db2.gz QVOOMGOJFIZRJY-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093583317 353902447 /nfs/dbraw/zinc/90/24/47/353902447.db2.gz DBXZYOZVTUAGHG-OAHLLOKOSA-N 1 1 323.393 1.028 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000585800601 354849082 /nfs/dbraw/zinc/84/90/82/354849082.db2.gz ASSFKBLNZGTBAM-ZNMIVQPWSA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000585800601 354849084 /nfs/dbraw/zinc/84/90/84/354849084.db2.gz ASSFKBLNZGTBAM-ZNMIVQPWSA-N 1 1 324.381 1.043 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000589516402 354999099 /nfs/dbraw/zinc/99/90/99/354999099.db2.gz URFIWRTTWZFSHS-AWEZNQCLSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H](O)C2CC2)c1 ZINC000589516402 354999104 /nfs/dbraw/zinc/99/91/04/354999104.db2.gz URFIWRTTWZFSHS-AWEZNQCLSA-N 1 1 308.334 1.584 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590010686 355040360 /nfs/dbraw/zinc/04/03/60/355040360.db2.gz OTTZBKPGGDFLLC-JSGCOSHPSA-N 1 1 318.377 1.478 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590045783 355043828 /nfs/dbraw/zinc/04/38/28/355043828.db2.gz WDLCLIMWJLGGEL-SWLSCSKDSA-N 1 1 319.361 1.445 20 5 DDBDMO Cc1ccc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000590392180 355083988 /nfs/dbraw/zinc/08/39/88/355083988.db2.gz CICHXJQNTUAJIZ-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000590141948 355053220 /nfs/dbraw/zinc/05/32/20/355053220.db2.gz VWQFUFAALZEUKO-OAHLLOKOSA-N 1 1 316.365 1.560 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446395 355099390 /nfs/dbraw/zinc/09/93/90/355099390.db2.gz TVSMNOSSPTXYPE-TVQRCGJNSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446395 355099393 /nfs/dbraw/zinc/09/93/93/355099393.db2.gz TVSMNOSSPTXYPE-TVQRCGJNSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446395 355099397 /nfs/dbraw/zinc/09/93/97/355099397.db2.gz TVSMNOSSPTXYPE-TVQRCGJNSA-N 1 1 315.333 1.247 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1cccnc1[N+](=O)[O-])C(C)C ZINC000590707277 355152889 /nfs/dbraw/zinc/15/28/89/355152889.db2.gz HJKUSXMSCCSNIZ-LBPRGKRZSA-N 1 1 310.354 1.579 20 5 DDBDMO C[C@@H]([NH3+])C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592423663 355578542 /nfs/dbraw/zinc/57/85/42/355578542.db2.gz CVRXMBRFVQTQSM-LLVKDONJSA-N 1 1 321.377 1.925 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000593025034 355772571 /nfs/dbraw/zinc/77/25/71/355772571.db2.gz RHCLMNQKJHPWEQ-JTQLQIEISA-N 1 1 318.333 1.966 20 5 DDBDMO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593058260 355782560 /nfs/dbraw/zinc/78/25/60/355782560.db2.gz KBGSRWKILUBZRK-OCCSQVGLSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593058260 355782562 /nfs/dbraw/zinc/78/25/62/355782562.db2.gz KBGSRWKILUBZRK-OCCSQVGLSA-N 1 1 309.366 1.646 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1ccccc1[N+](=O)[O-] ZINC000593104225 355799294 /nfs/dbraw/zinc/79/92/94/355799294.db2.gz XUJBMGFLXUSUBV-WEVHURDZSA-N 1 1 323.374 1.129 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593106712 355800107 /nfs/dbraw/zinc/80/01/07/355800107.db2.gz BAVGZDBWGAKCNZ-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593106712 355800110 /nfs/dbraw/zinc/80/01/10/355800110.db2.gz BAVGZDBWGAKCNZ-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593503435 355905818 /nfs/dbraw/zinc/90/58/18/355905818.db2.gz KNMTXBJPBDYPPZ-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593573235 355930310 /nfs/dbraw/zinc/93/03/10/355930310.db2.gz VWKNNMAZCWBHRY-MNOVXSKESA-N 1 1 309.341 1.827 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593458030 355891516 /nfs/dbraw/zinc/89/15/16/355891516.db2.gz OIGIOTPJMKESSB-UHFFFAOYSA-N 1 1 309.341 1.831 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000593995887 356081882 /nfs/dbraw/zinc/08/18/82/356081882.db2.gz DAGXSPRORDMQFX-HNNXBMFYSA-N 1 1 305.378 1.891 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H](C)O)C2CC2)c1 ZINC000594057484 356102775 /nfs/dbraw/zinc/10/27/75/356102775.db2.gz FXQSCHSXCNXLBB-JTQLQIEISA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H](C)O)C2CC2)c1 ZINC000594057484 356102778 /nfs/dbraw/zinc/10/27/78/356102778.db2.gz FXQSCHSXCNXLBB-JTQLQIEISA-N 1 1 308.334 1.727 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594847942 356336234 /nfs/dbraw/zinc/33/62/34/356336234.db2.gz YAIFITWZCKECRR-UHFFFAOYSA-N 1 1 313.379 1.085 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000595605762 356573290 /nfs/dbraw/zinc/57/32/90/356573290.db2.gz FXXVXFIGDJUPCZ-CYBMUJFWSA-N 1 1 317.349 1.717 20 5 DDBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679780 356608267 /nfs/dbraw/zinc/60/82/67/356608267.db2.gz YCZWQXSMSAQCKQ-FZMZJTMJSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595744148 356632567 /nfs/dbraw/zinc/63/25/67/356632567.db2.gz TVXJDOXJUXFWST-IATRGZMQSA-N 1 1 324.377 1.283 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762098 356641869 /nfs/dbraw/zinc/64/18/69/356641869.db2.gz ZXPOWZPUZRFGGD-WBMJQRKESA-N 1 1 322.361 1.951 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(COC2)C1 ZINC000595833481 356670078 /nfs/dbraw/zinc/67/00/78/356670078.db2.gz KORNYVQGAPVJAC-NSHDSACASA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(COC2)C1 ZINC000595833481 356670081 /nfs/dbraw/zinc/67/00/81/356670081.db2.gz KORNYVQGAPVJAC-NSHDSACASA-N 1 1 305.334 1.644 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595823895 356665135 /nfs/dbraw/zinc/66/51/35/356665135.db2.gz SYMVQVISVGYNDO-CYBMUJFWSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595823895 356665137 /nfs/dbraw/zinc/66/51/37/356665137.db2.gz SYMVQVISVGYNDO-CYBMUJFWSA-N 1 1 306.366 1.783 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826937 356665938 /nfs/dbraw/zinc/66/59/38/356665938.db2.gz BESAWYNBWBZWAS-STQMWFEESA-N 1 1 319.361 1.892 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595869411 356686175 /nfs/dbraw/zinc/68/61/75/356686175.db2.gz CWGFIAOHWNAVAQ-HSMVNMDESA-N 1 1 321.377 1.872 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595907458 356700747 /nfs/dbraw/zinc/70/07/47/356700747.db2.gz UULMAFVUBRJTTL-CHWSQXEVSA-N 1 1 324.356 1.603 20 5 DDBDMO CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000596066581 356759353 /nfs/dbraw/zinc/75/93/53/356759353.db2.gz GNFIFLIJFYVVGO-LBPRGKRZSA-N 1 1 310.354 1.464 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242838 356829758 /nfs/dbraw/zinc/82/97/58/356829758.db2.gz ARNHOWRHHKRLGP-MRXNPFEDSA-N 1 1 318.377 1.616 20 5 DDBDMO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000596241229 356829853 /nfs/dbraw/zinc/82/98/53/356829853.db2.gz PQDBRYFSUFYABK-LLVKDONJSA-N 1 1 305.382 1.883 20 5 DDBDMO CC[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269594 356838739 /nfs/dbraw/zinc/83/87/39/356838739.db2.gz UTFJBNONMWGNSU-JTQLQIEISA-N 1 1 307.354 1.009 20 5 DDBDMO COC(=O)c1cc(NC(=O)C2([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000597264984 357113994 /nfs/dbraw/zinc/11/39/94/357113994.db2.gz GSRHMJVKDFDFOH-UHFFFAOYSA-N 1 1 307.306 1.414 20 5 DDBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597947224 357394536 /nfs/dbraw/zinc/39/45/36/357394536.db2.gz WABXGJMKMGWTNT-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000598341624 357544461 /nfs/dbraw/zinc/54/44/61/357544461.db2.gz DWFRANBJCXIICE-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598588079 357642149 /nfs/dbraw/zinc/64/21/49/357642149.db2.gz YWWYDNQTDWJAFD-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598625016 357659701 /nfs/dbraw/zinc/65/97/01/357659701.db2.gz JSYKRPBJBCTTBB-VIFPVBQESA-N 1 1 317.305 1.400 20 5 DDBDMO CCOC(=O)c1cc(NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175700 357840453 /nfs/dbraw/zinc/84/04/53/357840453.db2.gz INSCOMUYUHALKK-GFCCVEGCSA-N 1 1 323.349 1.250 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600190937 358150837 /nfs/dbraw/zinc/15/08/37/358150837.db2.gz JSMKEBPMXYHHPJ-TXEJJXNPSA-N 1 1 306.318 1.598 20 5 DDBDMO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000237358475 202242576 /nfs/dbraw/zinc/24/25/76/202242576.db2.gz ZGLPHFSHTJEFLM-ZJUUUORDSA-N 1 1 317.349 1.671 20 5 DDBDMO CN1CCC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000601125892 358412602 /nfs/dbraw/zinc/41/26/02/358412602.db2.gz RLLLUUVABYEBKU-AWEZNQCLSA-N 1 1 300.318 1.598 20 5 DDBDMO CN1CC[C@H]([NH+]2CCC(Nc3sccc3[N+](=O)[O-])CC2)C1=O ZINC000601177572 358435177 /nfs/dbraw/zinc/43/51/77/358435177.db2.gz XEGKBUHYKBCCLX-LBPRGKRZSA-N 1 1 324.406 1.763 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602152955 358851190 /nfs/dbraw/zinc/85/11/90/358851190.db2.gz ZPDFVMAATNBVIR-AWEZNQCLSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000602541899 359035821 /nfs/dbraw/zinc/03/58/21/359035821.db2.gz SBSBZPXZGAVSIR-OAHLLOKOSA-N 1 1 320.437 1.610 20 5 DDBDMO Cc1c(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000602726441 359153186 /nfs/dbraw/zinc/15/31/86/359153186.db2.gz WQMCXADCVWAZBL-IYBDPMFKSA-N 1 1 317.345 1.388 20 5 DDBDMO Cn1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602799410 359199820 /nfs/dbraw/zinc/19/98/20/359199820.db2.gz SMCCGSGGKYUOCZ-OAHLLOKOSA-N 1 1 302.334 1.252 20 5 DDBDMO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000602807555 359204348 /nfs/dbraw/zinc/20/43/48/359204348.db2.gz BFUYQXNDTZXPIJ-GFCCVEGCSA-N 1 1 306.370 1.920 20 5 DDBDMO CCOC1CC2(C1)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602830027 359222384 /nfs/dbraw/zinc/22/23/84/359222384.db2.gz ULQAJDGQRNIKAY-UHFFFAOYSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602915118 359291755 /nfs/dbraw/zinc/29/17/55/359291755.db2.gz JKZIHDPSPHUFJT-IDFMNXDXSA-N 1 1 312.395 1.085 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000602950424 359316136 /nfs/dbraw/zinc/31/61/36/359316136.db2.gz DXFMVGFDQALZSK-ZDUSSCGKSA-N 1 1 321.381 1.524 20 5 DDBDMO O=[N+]([O-])c1ccccc1Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000603187274 359466409 /nfs/dbraw/zinc/46/64/09/359466409.db2.gz PXAVPMNXWAZCEW-CQSZACIVSA-N 1 1 317.349 1.191 20 5 DDBDMO O=[N+]([O-])c1ccccc1Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000603187274 359466413 /nfs/dbraw/zinc/46/64/13/359466413.db2.gz PXAVPMNXWAZCEW-CQSZACIVSA-N 1 1 317.349 1.191 20 5 DDBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187963185 200184213 /nfs/dbraw/zinc/18/42/13/200184213.db2.gz QOYFSAWGCNGBHS-DOMZBBRYSA-N 1 1 309.366 1.239 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604278110 359732433 /nfs/dbraw/zinc/73/24/33/359732433.db2.gz GMAQTXWHNLCGPJ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604278110 359732436 /nfs/dbraw/zinc/73/24/36/359732436.db2.gz GMAQTXWHNLCGPJ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1nn(CCC[NH+]2CCN(C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000188185146 200205607 /nfs/dbraw/zinc/20/56/07/200205607.db2.gz JLISQZICEODZGS-UHFFFAOYSA-N 1 1 309.414 1.824 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609382543 360303132 /nfs/dbraw/zinc/30/31/32/360303132.db2.gz BZOAUEGMORXJOI-CYBMUJFWSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609546564 360322389 /nfs/dbraw/zinc/32/23/89/360322389.db2.gz BAGDBMVBTDKVTH-CQSZACIVSA-N 1 1 306.366 1.607 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000610240011 360395741 /nfs/dbraw/zinc/39/57/41/360395741.db2.gz VBYPZTSXGDZLIX-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000374490958 307209113 /nfs/dbraw/zinc/20/91/13/307209113.db2.gz XWLYQRBPCMUFOL-MNOVXSKESA-N 1 1 312.395 1.477 20 5 DDBDMO CCO[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030394 360894373 /nfs/dbraw/zinc/89/43/73/360894373.db2.gz UMSDEWJTKNQMKR-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](CCCO)CC1)CCCC2 ZINC000565888746 304101391 /nfs/dbraw/zinc/10/13/91/304101391.db2.gz AMYOFZSDOMUCOH-UHFFFAOYSA-N 1 1 320.393 1.373 20 5 DDBDMO Cc1cn(C[C@H](O)C[N@H+](C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000619525396 364048220 /nfs/dbraw/zinc/04/82/20/364048220.db2.gz NSEGZLAVJQVBDZ-CQSZACIVSA-N 1 1 304.350 1.593 20 5 DDBDMO COCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293086505 223390223 /nfs/dbraw/zinc/39/02/23/223390223.db2.gz KAMLJIMOBOHOFG-UHFFFAOYSA-N 1 1 307.350 1.389 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000359279057 299392665 /nfs/dbraw/zinc/39/26/65/299392665.db2.gz BRASWVPSMITRTK-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261924355 203154123 /nfs/dbraw/zinc/15/41/23/203154123.db2.gz IWUQUCZDOQBZNV-ZDUSSCGKSA-N 1 1 318.308 1.849 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@@H+](C)C2CC2)c1 ZINC000351544861 284371002 /nfs/dbraw/zinc/37/10/02/284371002.db2.gz NUDBAFOCUUUCLN-UHFFFAOYSA-N 1 1 307.350 1.912 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334042161 249190180 /nfs/dbraw/zinc/19/01/80/249190180.db2.gz GZFYJTBZHWJYGS-JQWIXIFHSA-N 1 1 307.350 1.816 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000274074020 211330997 /nfs/dbraw/zinc/33/09/97/211330997.db2.gz VGCYSLPDSMHFMC-CYBMUJFWSA-N 1 1 304.350 1.631 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000274074020 211331002 /nfs/dbraw/zinc/33/10/02/211331002.db2.gz VGCYSLPDSMHFMC-CYBMUJFWSA-N 1 1 304.350 1.631 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284740401 218157250 /nfs/dbraw/zinc/15/72/50/218157250.db2.gz DJIMXOKRVHQONB-HOTGVXAUSA-N 1 1 321.377 1.379 20 5 DDBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670298 250084839 /nfs/dbraw/zinc/08/48/39/250084839.db2.gz BQPFSPNPUCROKD-VXGBXAGGSA-N 1 1 321.381 1.269 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285007070 218253531 /nfs/dbraw/zinc/25/35/31/218253531.db2.gz CUQFTWPTKMWMAR-JTQLQIEISA-N 1 1 309.370 1.558 20 5 DDBDMO Cc1cccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000106399313 194207806 /nfs/dbraw/zinc/20/78/06/194207806.db2.gz DQOZOPGAIQJQKN-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000110991877 194378392 /nfs/dbraw/zinc/37/83/92/194378392.db2.gz MFJGGWJKWKODBV-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO C[N@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000058938180 184132297 /nfs/dbraw/zinc/13/22/97/184132297.db2.gz WXHLXBQZIJVUEJ-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@@H+](CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000058938180 184132298 /nfs/dbraw/zinc/13/22/98/184132298.db2.gz WXHLXBQZIJVUEJ-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000058969331 184132876 /nfs/dbraw/zinc/13/28/76/184132876.db2.gz TYPJVMALEKWICN-UHFFFAOYSA-N 1 1 324.381 1.286 20 5 DDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000058969331 184132877 /nfs/dbraw/zinc/13/28/77/184132877.db2.gz TYPJVMALEKWICN-UHFFFAOYSA-N 1 1 324.381 1.286 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000341042246 251350200 /nfs/dbraw/zinc/35/02/00/251350200.db2.gz HEUQOASJMYLDNJ-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491564788 532977031 /nfs/dbraw/zinc/97/70/31/532977031.db2.gz ZAIKOVMKVHMVPY-GEXIGZQTSA-N 1 1 319.361 1.445 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269524192 207620052 /nfs/dbraw/zinc/62/00/52/207620052.db2.gz QXKWLIXDQHBRRO-ZDUSSCGKSA-N 1 1 307.350 1.124 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC3(C2)Oc2ccccc2O3)n1 ZINC000288756232 285167928 /nfs/dbraw/zinc/16/79/28/285167928.db2.gz GVLVLQDUWYEXIM-UHFFFAOYSA-N 1 1 316.317 1.665 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC3(C2)Oc2ccccc2O3)n1 ZINC000288756232 285167930 /nfs/dbraw/zinc/16/79/30/285167930.db2.gz GVLVLQDUWYEXIM-UHFFFAOYSA-N 1 1 316.317 1.665 20 5 DDBDMO CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000157625795 197203135 /nfs/dbraw/zinc/20/31/35/197203135.db2.gz FYOWEKCVPFTZSZ-JKSUJKDBSA-N 1 1 324.377 1.756 20 5 DDBDMO C[N@@H+](CCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157472625 197190021 /nfs/dbraw/zinc/19/00/21/197190021.db2.gz XBJGYUDKWWXDGJ-UHFFFAOYSA-N 1 1 308.313 1.941 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157152882 197166904 /nfs/dbraw/zinc/16/69/04/197166904.db2.gz SIUOQMCXZLWAGP-YPMHNXCESA-N 1 1 318.377 1.733 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)Cc1cccnc1 ZINC000156770573 197139079 /nfs/dbraw/zinc/13/90/79/197139079.db2.gz QTTFQJGOPFLOSB-UHFFFAOYSA-N 1 1 317.345 1.863 20 5 DDBDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000156328704 197104846 /nfs/dbraw/zinc/10/48/46/197104846.db2.gz OXNUTDWMENWLEY-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000156328704 197104848 /nfs/dbraw/zinc/10/48/48/197104848.db2.gz OXNUTDWMENWLEY-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798024 285307727 /nfs/dbraw/zinc/30/77/27/285307727.db2.gz WYQUJYBNQKUMCP-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414519801 224348773 /nfs/dbraw/zinc/34/87/73/224348773.db2.gz BQXCRFBHWDGTSZ-CMPLNLGQSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414519801 224348775 /nfs/dbraw/zinc/34/87/75/224348775.db2.gz BQXCRFBHWDGTSZ-CMPLNLGQSA-N 1 1 310.350 1.815 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071537 533327543 /nfs/dbraw/zinc/32/75/43/533327543.db2.gz UMKDNEFYWOJEQQ-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071537 533327548 /nfs/dbraw/zinc/32/75/48/533327548.db2.gz UMKDNEFYWOJEQQ-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283603090 296517163 /nfs/dbraw/zinc/51/71/63/296517163.db2.gz TUUXIGVOZKDVGI-ZDUSSCGKSA-N 1 1 306.366 1.538 20 5 DDBDMO C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000068216797 406626568 /nfs/dbraw/zinc/62/65/68/406626568.db2.gz XDEKJGZNXZTWIQ-SECBINFHSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+](C)C1CC1 ZINC000068216797 406626575 /nfs/dbraw/zinc/62/65/75/406626575.db2.gz XDEKJGZNXZTWIQ-SECBINFHSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+](C)C1CC1 ZINC000068216797 406626579 /nfs/dbraw/zinc/62/65/79/406626579.db2.gz XDEKJGZNXZTWIQ-SECBINFHSA-N 1 1 317.349 1.684 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000073995425 406899940 /nfs/dbraw/zinc/89/99/40/406899940.db2.gz ACIMKQBBZOCNOL-QWHCGFSZSA-N 1 1 321.381 1.185 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000054128496 407179544 /nfs/dbraw/zinc/17/95/44/407179544.db2.gz PUEPXIGKWBVNLN-UHFFFAOYSA-N 1 1 315.395 1.750 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107696853 407378305 /nfs/dbraw/zinc/37/83/05/407378305.db2.gz MGEQTVWHGGWOIJ-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863095 407473234 /nfs/dbraw/zinc/47/32/34/407473234.db2.gz GJQNSQADNRSFSJ-GHMZBOCLSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863095 407473242 /nfs/dbraw/zinc/47/32/42/407473242.db2.gz GJQNSQADNRSFSJ-GHMZBOCLSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863095 407473247 /nfs/dbraw/zinc/47/32/47/407473247.db2.gz GJQNSQADNRSFSJ-GHMZBOCLSA-N 1 1 323.397 1.825 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112991252 407456088 /nfs/dbraw/zinc/45/60/88/407456088.db2.gz RXRDTFGXKQPDQQ-HIFRSBDPSA-N 1 1 324.377 1.693 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265795783 407459697 /nfs/dbraw/zinc/45/96/97/407459697.db2.gz MKUSOXXRBLTAAT-GFCCVEGCSA-N 1 1 305.378 1.940 20 5 DDBDMO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266225986 407533589 /nfs/dbraw/zinc/53/35/89/407533589.db2.gz RODHGCRBOYKLJS-OLZOCXBDSA-N 1 1 308.382 1.580 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000266728936 407613505 /nfs/dbraw/zinc/61/35/05/407613505.db2.gz JVKDEZLCCUKGBW-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO C[N@H+](CCc1cnccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271347399 407646288 /nfs/dbraw/zinc/64/62/88/407646288.db2.gz NXAGILZMHIGHHX-UHFFFAOYSA-N 1 1 315.333 1.158 20 5 DDBDMO C[N@@H+](CCc1cnccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271347399 407646292 /nfs/dbraw/zinc/64/62/92/407646292.db2.gz NXAGILZMHIGHHX-UHFFFAOYSA-N 1 1 315.333 1.158 20 5 DDBDMO C[NH+](C)[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271374034 407658573 /nfs/dbraw/zinc/65/85/73/407658573.db2.gz ZNGXKDNRJLKGBM-MRVPVSSYSA-N 1 1 319.408 1.200 20 5 DDBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130384450 407683214 /nfs/dbraw/zinc/68/32/14/407683214.db2.gz KIRUGGZGXTZFRZ-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO Nc1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000262005232 407707209 /nfs/dbraw/zinc/70/72/09/407707209.db2.gz LRQDBSPICDPGNR-UHFFFAOYSA-N 1 1 319.390 1.956 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186734106 407758832 /nfs/dbraw/zinc/75/88/32/407758832.db2.gz AKOXCFSIXMDJPM-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153745702 407893616 /nfs/dbraw/zinc/89/36/16/407893616.db2.gz YWBMAAQWCOMFIY-INIZCTEOSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153745702 407893623 /nfs/dbraw/zinc/89/36/23/407893623.db2.gz YWBMAAQWCOMFIY-INIZCTEOSA-N 1 1 319.361 1.954 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000154472537 408040704 /nfs/dbraw/zinc/04/07/04/408040704.db2.gz NVVMKYAMGGBPLV-KKUMJFAQSA-N 1 1 324.402 1.835 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672218 408008254 /nfs/dbraw/zinc/00/82/54/408008254.db2.gz TYOQGPOYXPPVKK-MNOVXSKESA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672218 408008259 /nfs/dbraw/zinc/00/82/59/408008259.db2.gz TYOQGPOYXPPVKK-MNOVXSKESA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672218 408008268 /nfs/dbraw/zinc/00/82/68/408008268.db2.gz TYOQGPOYXPPVKK-MNOVXSKESA-N 1 1 321.381 1.608 20 5 DDBDMO Cn1cnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000090969441 161688434 /nfs/dbraw/zinc/68/84/34/161688434.db2.gz KULSMNZTVQZSLG-CYBMUJFWSA-N 1 1 301.350 1.834 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCOCC1 ZINC000175173760 408068449 /nfs/dbraw/zinc/06/84/49/408068449.db2.gz IMVRAWFIVVNYRE-UHFFFAOYSA-N 1 1 323.393 1.758 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCOCC1 ZINC000175173760 408068456 /nfs/dbraw/zinc/06/84/56/408068456.db2.gz IMVRAWFIVVNYRE-UHFFFAOYSA-N 1 1 323.393 1.758 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000245854048 408079234 /nfs/dbraw/zinc/07/92/34/408079234.db2.gz DHDIXYGCFMVVKX-QWRGUYRKSA-N 1 1 307.354 1.027 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC12CCC2 ZINC000182229227 408099821 /nfs/dbraw/zinc/09/98/21/408099821.db2.gz JTJDLOAHIWSSTK-ZDUSSCGKSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOCC12CCC2 ZINC000182229227 408099825 /nfs/dbraw/zinc/09/98/25/408099825.db2.gz JTJDLOAHIWSSTK-ZDUSSCGKSA-N 1 1 322.361 1.589 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155339321 408156518 /nfs/dbraw/zinc/15/65/18/408156518.db2.gz XZVMHIZQSMTWGO-IINYFYTJSA-N 1 1 306.366 1.757 20 5 DDBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176243157 408322337 /nfs/dbraw/zinc/32/23/37/408322337.db2.gz LEFSWTBBVJQSIH-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO C[C@H](CO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000131949828 162026143 /nfs/dbraw/zinc/02/61/43/162026143.db2.gz CCLDMWGZBGACCH-SNVBAGLBSA-N 1 1 309.322 1.205 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190990138 408352802 /nfs/dbraw/zinc/35/28/02/408352802.db2.gz OYAPTFYJXBUAJI-UHFFFAOYSA-N 1 1 323.349 1.007 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177052922 408509005 /nfs/dbraw/zinc/50/90/05/408509005.db2.gz MAQJNIZZMIJFJP-WCQYABFASA-N 1 1 303.362 1.879 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000248457536 408570669 /nfs/dbraw/zinc/57/06/69/408570669.db2.gz MKFVNZSTJWOKKL-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](c1cccnc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680740 408633447 /nfs/dbraw/zinc/63/34/47/408633447.db2.gz UPNOSDPQCLECKZ-RISCZKNCSA-N 1 1 305.338 1.240 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270858191 408712196 /nfs/dbraw/zinc/71/21/96/408712196.db2.gz HTSLTFKLXPPEAY-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270858191 408712197 /nfs/dbraw/zinc/71/21/97/408712197.db2.gz HTSLTFKLXPPEAY-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO CN(C(=O)C[N@H+](CCO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000275902707 408715624 /nfs/dbraw/zinc/71/56/24/408715624.db2.gz VHSOUQZJEWMURV-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@@H+](CCO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000275902707 408715627 /nfs/dbraw/zinc/71/56/27/408715627.db2.gz VHSOUQZJEWMURV-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO CCN1CC[NH+]([C@@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193419679 408718048 /nfs/dbraw/zinc/71/80/48/408718048.db2.gz SLZHPZZPHFLCFV-CQSZACIVSA-N 1 1 319.409 1.393 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000249515287 408737154 /nfs/dbraw/zinc/73/71/54/408737154.db2.gz BZMPORYJMHIJSV-STQMWFEESA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162188073 408677149 /nfs/dbraw/zinc/67/71/49/408677149.db2.gz QGPXBEOJJMUXCH-GFCCVEGCSA-N 1 1 323.397 1.570 20 5 DDBDMO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185311934 408794376 /nfs/dbraw/zinc/79/43/76/408794376.db2.gz RSTQQFAUUHFCAQ-OAHLLOKOSA-N 1 1 323.393 1.896 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249764531 408764142 /nfs/dbraw/zinc/76/41/42/408764142.db2.gz ZRXVHYRLFMPWOJ-NEPJUHHUSA-N 1 1 309.370 1.028 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000290796303 408834775 /nfs/dbraw/zinc/83/47/75/408834775.db2.gz PBTRBERSGXKIDZ-ZDUSSCGKSA-N 1 1 308.334 1.631 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CCO1 ZINC000291703326 408910207 /nfs/dbraw/zinc/91/02/07/408910207.db2.gz UQHUAOQHUAOBAX-GFCCVEGCSA-N 1 1 317.345 1.630 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CCO1 ZINC000291703326 408910210 /nfs/dbraw/zinc/91/02/10/408910210.db2.gz UQHUAOQHUAOBAX-GFCCVEGCSA-N 1 1 317.345 1.630 20 5 DDBDMO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286219292 408943916 /nfs/dbraw/zinc/94/39/16/408943916.db2.gz NJSBWOPBXYSTMP-FOSCPWQOSA-N 1 1 318.377 1.874 20 5 DDBDMO [NH3+]CC[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000281965691 408963044 /nfs/dbraw/zinc/96/30/44/408963044.db2.gz NJPUZKLEHYBWQA-SNVBAGLBSA-N 1 1 317.349 1.672 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277760508 409007153 /nfs/dbraw/zinc/00/71/53/409007153.db2.gz RFRUZDDHZUDSJB-UHFFFAOYSA-N 1 1 308.338 1.252 20 5 DDBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293425314 409110444 /nfs/dbraw/zinc/11/04/44/409110444.db2.gz NIWCFUDNCHPELC-MJBXVCDLSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293425314 409110446 /nfs/dbraw/zinc/11/04/46/409110446.db2.gz NIWCFUDNCHPELC-MJBXVCDLSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293425314 409110448 /nfs/dbraw/zinc/11/04/48/409110448.db2.gz NIWCFUDNCHPELC-MJBXVCDLSA-N 1 1 323.393 1.359 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283623734 409185869 /nfs/dbraw/zinc/18/58/69/409185869.db2.gz AXWCDJBBTZFICT-SNVBAGLBSA-N 1 1 324.356 1.730 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC000279260547 409180253 /nfs/dbraw/zinc/18/02/53/409180253.db2.gz WXUOKKBAPUNRPA-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283804677 409220164 /nfs/dbraw/zinc/22/01/64/409220164.db2.gz WFAGWXIRKLFVLS-UHFFFAOYSA-N 1 1 300.330 1.953 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000293993722 409222547 /nfs/dbraw/zinc/22/25/47/409222547.db2.gz ODIUPYSXUPQMEF-BETUJISGSA-N 1 1 321.377 1.833 20 5 DDBDMO COCCC[N@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229748 409299985 /nfs/dbraw/zinc/29/99/85/409299985.db2.gz UMSDPPXVCFYABN-LBPRGKRZSA-N 1 1 310.398 1.796 20 5 DDBDMO COCCC[N@@H+](C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229748 409299988 /nfs/dbraw/zinc/29/99/88/409299988.db2.gz UMSDPPXVCFYABN-LBPRGKRZSA-N 1 1 310.398 1.796 20 5 DDBDMO C[C@H]([N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295225034 409386098 /nfs/dbraw/zinc/38/60/98/409386098.db2.gz WCUYLEZGANTFAM-NSHDSACASA-N 1 1 309.366 1.649 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000295978840 409390182 /nfs/dbraw/zinc/39/01/82/409390182.db2.gz KWWSZAMVLJDHSQ-CQSZACIVSA-N 1 1 321.377 1.941 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295154635 409348399 /nfs/dbraw/zinc/34/83/99/409348399.db2.gz DBCHNWJTOAYGBP-AWEZNQCLSA-N 1 1 311.313 1.134 20 5 DDBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295387689 409461126 /nfs/dbraw/zinc/46/11/26/409461126.db2.gz BCBKJRAIKRZMMJ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295387689 409461134 /nfs/dbraw/zinc/46/11/34/409461134.db2.gz BCBKJRAIKRZMMJ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCO2 ZINC000285458143 409451338 /nfs/dbraw/zinc/45/13/38/409451338.db2.gz GTAQDEGGDUXBRK-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO Cc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCO2 ZINC000285458143 409451341 /nfs/dbraw/zinc/45/13/41/409451341.db2.gz GTAQDEGGDUXBRK-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO CNc1c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000318614214 164032196 /nfs/dbraw/zinc/03/21/96/164032196.db2.gz JBPICLVSDFZJQV-JTQLQIEISA-N 1 1 306.366 1.849 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000342351351 409585726 /nfs/dbraw/zinc/58/57/26/409585726.db2.gz WSQKKNIVLYZBIC-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304305561 409601532 /nfs/dbraw/zinc/60/15/32/409601532.db2.gz JRSVQZPDZCJNEG-FZMZJTMJSA-N 1 1 307.350 1.403 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)n1C ZINC000331647008 409730114 /nfs/dbraw/zinc/73/01/14/409730114.db2.gz YPKJTFXLNYEOTN-WPRPVWTQSA-N 1 1 320.353 1.884 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000332024449 409810530 /nfs/dbraw/zinc/81/05/30/409810530.db2.gz ZYTCQYXWZHDMCZ-OAGGEKHMSA-N 1 1 306.362 1.957 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000332024449 409810537 /nfs/dbraw/zinc/81/05/37/409810537.db2.gz ZYTCQYXWZHDMCZ-OAGGEKHMSA-N 1 1 306.362 1.957 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342832072 409936024 /nfs/dbraw/zinc/93/60/24/409936024.db2.gz RAKJHVBUHNXXMK-GFCCVEGCSA-N 1 1 309.351 1.078 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229641 409999454 /nfs/dbraw/zinc/99/94/54/409999454.db2.gz PNOCBPXJUQZSFQ-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229641 409999461 /nfs/dbraw/zinc/99/94/61/409999461.db2.gz PNOCBPXJUQZSFQ-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC(=O)N(C)C1=O ZINC000338967545 410052522 /nfs/dbraw/zinc/05/25/22/410052522.db2.gz GODFLCLBOXFASI-AWEZNQCLSA-N 1 1 319.361 1.873 20 5 DDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC(=O)N(C)C1=O ZINC000338967545 410052526 /nfs/dbraw/zinc/05/25/26/410052526.db2.gz GODFLCLBOXFASI-AWEZNQCLSA-N 1 1 319.361 1.873 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677536 287101845 /nfs/dbraw/zinc/10/18/45/287101845.db2.gz DZPJWMIDIFDAMA-RISCZKNCSA-N 1 1 321.377 1.819 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389468 410151083 /nfs/dbraw/zinc/15/10/83/410151083.db2.gz CCSAYMMOILPBAN-HZPDHXFCSA-N 1 1 305.378 1.890 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826457 410268021 /nfs/dbraw/zinc/26/80/21/410268021.db2.gz KBFVHADWRBKBPM-IINYFYTJSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000351773563 410223375 /nfs/dbraw/zinc/22/33/75/410223375.db2.gz HFFCSLWHRYPXEV-SKDRFNHKSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000351773563 410223377 /nfs/dbraw/zinc/22/33/77/410223377.db2.gz HFFCSLWHRYPXEV-SKDRFNHKSA-N 1 1 304.306 1.457 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](CC)CN1C(C)=O ZINC000357907371 410321052 /nfs/dbraw/zinc/32/10/52/410321052.db2.gz FEJWCSRNMBXCBN-UONOGXRCSA-N 1 1 323.397 1.513 20 5 DDBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339618880 410332882 /nfs/dbraw/zinc/33/28/82/410332882.db2.gz GNSGIIAPTLFDFG-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339621171 410338645 /nfs/dbraw/zinc/33/86/45/410338645.db2.gz GERMDTZPVSWVJV-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[N@@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000343274611 410301029 /nfs/dbraw/zinc/30/10/29/410301029.db2.gz RXHODGYHIYKQOH-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000343274611 410301033 /nfs/dbraw/zinc/30/10/33/410301033.db2.gz RXHODGYHIYKQOH-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCC[C@H](C)C1 ZINC000298755318 410382010 /nfs/dbraw/zinc/38/20/10/410382010.db2.gz YACISCNPJBTAGD-WDEREUQCSA-N 1 1 321.381 1.621 20 5 DDBDMO COc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000355333686 410448054 /nfs/dbraw/zinc/44/80/54/410448054.db2.gz HJXGWKHVNNYGSB-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO C[N@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301075484 410650392 /nfs/dbraw/zinc/65/03/92/410650392.db2.gz BLLYGSMMXQVQSX-SNVBAGLBSA-N 1 1 320.349 1.679 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343851582 410746562 /nfs/dbraw/zinc/74/65/62/410746562.db2.gz DMPRQEQLFFAHNJ-TZMCWYRMSA-N 1 1 320.393 1.919 20 5 DDBDMO COc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000356003968 410770994 /nfs/dbraw/zinc/77/09/94/410770994.db2.gz QXBJXKCUVIGDMM-GFCCVEGCSA-N 1 1 319.361 1.912 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044934 410918813 /nfs/dbraw/zinc/91/88/13/410918813.db2.gz XVGBWYJJIGANLG-CQDKDKBSSA-N 1 1 319.361 1.626 20 5 DDBDMO C[C@@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080044 410935852 /nfs/dbraw/zinc/93/58/52/410935852.db2.gz XGQMVQPEAGSVAE-GXTWGEPZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080044 410935856 /nfs/dbraw/zinc/93/58/56/410935856.db2.gz XGQMVQPEAGSVAE-GXTWGEPZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129187114 196027307 /nfs/dbraw/zinc/02/73/07/196027307.db2.gz ZXCFQFNQFWDPJU-OCCSQVGLSA-N 1 1 318.377 1.733 20 5 DDBDMO Cc1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000580251532 422906618 /nfs/dbraw/zinc/90/66/18/422906618.db2.gz JIMNEPNIYZGRLD-LBPRGKRZSA-N 1 1 307.306 1.421 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134430180 196390307 /nfs/dbraw/zinc/39/03/07/196390307.db2.gz KCHITKAVBHBWOQ-CYBMUJFWSA-N 1 1 309.366 1.533 20 5 DDBDMO O=C(N[C@H]1CC12CC[NH2+]CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000366556507 418489284 /nfs/dbraw/zinc/48/92/84/418489284.db2.gz PODIHHXYWOPHCI-LBPRGKRZSA-N 1 1 315.333 1.343 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374836175 418568040 /nfs/dbraw/zinc/56/80/40/418568040.db2.gz ZICQNKHAXYJCMX-UWVGGRQHSA-N 1 1 322.340 1.673 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000375509499 418651374 /nfs/dbraw/zinc/65/13/74/418651374.db2.gz WCAYVFXLMZRSIY-JTQLQIEISA-N 1 1 321.337 1.024 20 5 DDBDMO CCOc1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361584683 418685967 /nfs/dbraw/zinc/68/59/67/418685967.db2.gz FXXXBGZECLMMND-JSGCOSHPSA-N 1 1 324.377 1.965 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@H+]3CCC[C@H]3CO1)CCN2 ZINC000365542874 418872806 /nfs/dbraw/zinc/87/28/06/418872806.db2.gz CBCZIJHOAXOHMA-RYUDHWBXSA-N 1 1 318.377 1.838 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421041760 419466145 /nfs/dbraw/zinc/46/61/45/419466145.db2.gz YPJDGCDNRPXWOY-DZGCQCFKSA-N 1 1 308.334 1.199 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000423691741 420129070 /nfs/dbraw/zinc/12/90/70/420129070.db2.gz PXKVCSAARVWHJV-HNNXBMFYSA-N 1 1 309.341 1.985 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000430229498 420092102 /nfs/dbraw/zinc/09/21/02/420092102.db2.gz VVZCUJJQRPHDSV-CQSZACIVSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000430229498 420092107 /nfs/dbraw/zinc/09/21/07/420092107.db2.gz VVZCUJJQRPHDSV-CQSZACIVSA-N 1 1 319.361 1.800 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CN)C1CC1 ZINC000420309767 420198117 /nfs/dbraw/zinc/19/81/17/420198117.db2.gz FMYMJTMHFMNPHN-CQSZACIVSA-N 1 1 306.366 1.593 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CN)C1CC1 ZINC000420309767 420198123 /nfs/dbraw/zinc/19/81/23/420198123.db2.gz FMYMJTMHFMNPHN-CQSZACIVSA-N 1 1 306.366 1.593 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430968964 420229087 /nfs/dbraw/zinc/22/90/87/420229087.db2.gz ZVFKQJNQPJGQIG-ZDUSSCGKSA-N 1 1 320.393 1.773 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000457063517 420599997 /nfs/dbraw/zinc/59/99/97/420599997.db2.gz VZEUAOGWBQCSQG-UHFFFAOYSA-N 1 1 307.354 1.176 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442309772 420679178 /nfs/dbraw/zinc/67/91/78/420679178.db2.gz UDOXXMQARJQSRQ-WDEREUQCSA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442309772 420679184 /nfs/dbraw/zinc/67/91/84/420679184.db2.gz UDOXXMQARJQSRQ-WDEREUQCSA-N 1 1 320.349 1.084 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456066594 421094532 /nfs/dbraw/zinc/09/45/32/421094532.db2.gz MMXGZNZUYJPBJU-LLVKDONJSA-N 1 1 321.381 1.634 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449747227 421074054 /nfs/dbraw/zinc/07/40/54/421074054.db2.gz WDVRPGBWWRPORV-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449747227 421074057 /nfs/dbraw/zinc/07/40/57/421074057.db2.gz WDVRPGBWWRPORV-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NC ZINC000449771357 421080134 /nfs/dbraw/zinc/08/01/34/421080134.db2.gz GPCIVJQEVADDIB-SNVBAGLBSA-N 1 1 317.292 1.810 20 5 DDBDMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)NC ZINC000449771356 421080442 /nfs/dbraw/zinc/08/04/42/421080442.db2.gz GPCIVJQEVADDIB-JTQLQIEISA-N 1 1 317.292 1.810 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000456340493 421143685 /nfs/dbraw/zinc/14/36/85/421143685.db2.gz DMAYOKSFELMQFK-NSHDSACASA-N 1 1 309.370 1.193 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000456340493 421143689 /nfs/dbraw/zinc/14/36/89/421143689.db2.gz DMAYOKSFELMQFK-NSHDSACASA-N 1 1 309.370 1.193 20 5 DDBDMO CNc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000456333749 421144296 /nfs/dbraw/zinc/14/42/96/421144296.db2.gz UBDQCTCOIRJNDC-FGWVZKOKSA-N 1 1 319.365 1.387 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000456356787 421147441 /nfs/dbraw/zinc/14/74/41/421147441.db2.gz RYUJHUOEQZMVDA-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000524783286 421273098 /nfs/dbraw/zinc/27/30/98/421273098.db2.gz FTGMFNKPELCJOC-YPMHNXCESA-N 1 1 306.366 1.877 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000546103350 421284691 /nfs/dbraw/zinc/28/46/91/421284691.db2.gz OIKBKMZESPWIAQ-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000546103350 421284696 /nfs/dbraw/zinc/28/46/96/421284696.db2.gz OIKBKMZESPWIAQ-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225688 421535119 /nfs/dbraw/zinc/53/51/19/421535119.db2.gz ATCQPMDXXIVKGQ-GXTWGEPZSA-N 1 1 321.377 1.535 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518878252 421670942 /nfs/dbraw/zinc/67/09/42/421670942.db2.gz ITSNTNQEORYLLY-LLVKDONJSA-N 1 1 323.397 1.731 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521992784 421809464 /nfs/dbraw/zinc/80/94/64/421809464.db2.gz QKCAJEPLJXAXJR-UHFFFAOYSA-N 1 1 321.333 1.491 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000542836922 421831230 /nfs/dbraw/zinc/83/12/30/421831230.db2.gz AVBNXEWQFBJOPS-UHFFFAOYSA-N 1 1 321.381 1.750 20 5 DDBDMO C[C@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1C1CC1 ZINC000584383765 422299098 /nfs/dbraw/zinc/29/90/98/422299098.db2.gz PEOQRFYKDGKYIK-UWVGGRQHSA-N 1 1 302.338 1.675 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591226 422351586 /nfs/dbraw/zinc/35/15/86/422351586.db2.gz IHRIXKCGSOYKKG-RWMBFGLXSA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591226 422351591 /nfs/dbraw/zinc/35/15/91/422351591.db2.gz IHRIXKCGSOYKKG-RWMBFGLXSA-N 1 1 308.382 2.208 20 5 DDBDMO Nc1ncc2c(n1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000598950859 422400274 /nfs/dbraw/zinc/40/02/74/422400274.db2.gz USVRXQKSAITSCM-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO Nc1ncc2c(n1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000598950859 422400280 /nfs/dbraw/zinc/40/02/80/422400280.db2.gz USVRXQKSAITSCM-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO CC1(C)COCC[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000179299962 263357684 /nfs/dbraw/zinc/35/76/84/263357684.db2.gz RCEMWLAYMJNFGV-UHFFFAOYSA-N 1 1 320.353 1.160 20 5 DDBDMO CC1(C)COCC[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000179299962 263357685 /nfs/dbraw/zinc/35/76/85/263357685.db2.gz RCEMWLAYMJNFGV-UHFFFAOYSA-N 1 1 320.353 1.160 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000342365438 271390701 /nfs/dbraw/zinc/39/07/01/271390701.db2.gz VYYKYQXPAUYICL-QWRGUYRKSA-N 1 1 322.365 1.979 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345449492 272254128 /nfs/dbraw/zinc/25/41/28/272254128.db2.gz AUHRVGDZHWFGRF-LBPRGKRZSA-N 1 1 308.382 1.928 20 5 DDBDMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000347745996 272749354 /nfs/dbraw/zinc/74/93/54/272749354.db2.gz LFLAFXOOBXYZDV-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](C)OC ZINC000291143840 276082219 /nfs/dbraw/zinc/08/22/19/276082219.db2.gz DBHUNVWLIGBSHD-GFCCVEGCSA-N 1 1 321.377 1.841 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](C)OC ZINC000291143840 276082220 /nfs/dbraw/zinc/08/22/20/276082220.db2.gz DBHUNVWLIGBSHD-GFCCVEGCSA-N 1 1 321.377 1.841 20 5 DDBDMO CC[N@H+](CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000266865739 276123924 /nfs/dbraw/zinc/12/39/24/276123924.db2.gz MLHXXBWSQYYIPH-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO CC[N@@H+](CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000266865739 276123926 /nfs/dbraw/zinc/12/39/26/276123926.db2.gz MLHXXBWSQYYIPH-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000152354101 277204949 /nfs/dbraw/zinc/20/49/49/277204949.db2.gz FJNHRGXRVABBLC-UHFFFAOYSA-N 1 1 324.381 1.091 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000334047271 277238826 /nfs/dbraw/zinc/23/88/26/277238826.db2.gz BECTZVWVHOSCIZ-NEPJUHHUSA-N 1 1 306.366 1.968 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000088059421 288240338 /nfs/dbraw/zinc/24/03/38/288240338.db2.gz VKWCVDIGVLMFHX-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286103542 281021172 /nfs/dbraw/zinc/02/11/72/281021172.db2.gz IMKWPJREWIEHLL-XHDPSFHLSA-N 1 1 307.350 1.276 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000193354631 288575104 /nfs/dbraw/zinc/57/51/04/288575104.db2.gz SIAOQXNWBVCDNF-SNVBAGLBSA-N 1 1 313.379 1.140 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367647539 300867697 /nfs/dbraw/zinc/86/76/97/300867697.db2.gz YERXPBZPPNPTSW-UHFFFAOYSA-N 1 1 315.333 1.640 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000369800030 301226611 /nfs/dbraw/zinc/22/66/11/301226611.db2.gz QULYFLJBAYXYFX-LSDHHAIUSA-N 1 1 324.381 1.451 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000369800030 301226614 /nfs/dbraw/zinc/22/66/14/301226614.db2.gz QULYFLJBAYXYFX-LSDHHAIUSA-N 1 1 324.381 1.451 20 5 DDBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369912999 301238872 /nfs/dbraw/zinc/23/88/72/301238872.db2.gz MLUACXOGYBHBNP-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000369912999 301238874 /nfs/dbraw/zinc/23/88/74/301238874.db2.gz MLUACXOGYBHBNP-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369912999 301238876 /nfs/dbraw/zinc/23/88/76/301238876.db2.gz MLUACXOGYBHBNP-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079655 302140399 /nfs/dbraw/zinc/14/03/99/302140399.db2.gz CVGROMQSKOONJR-NGFQHRJXSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079655 302140402 /nfs/dbraw/zinc/14/04/02/302140402.db2.gz CVGROMQSKOONJR-NGFQHRJXSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079655 302140405 /nfs/dbraw/zinc/14/04/05/302140405.db2.gz CVGROMQSKOONJR-NGFQHRJXSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000532134478 303276267 /nfs/dbraw/zinc/27/62/67/303276267.db2.gz ZCMFMQXNBZBRBK-NWDGAFQWSA-N 1 1 306.366 1.983 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532142870 303276822 /nfs/dbraw/zinc/27/68/22/303276822.db2.gz FNNFUJCCBZUYPX-LBPRGKRZSA-N 1 1 306.366 1.794 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000535043460 303341787 /nfs/dbraw/zinc/34/17/87/303341787.db2.gz YIWLGLPOPPXZOG-LBPRGKRZSA-N 1 1 315.333 1.245 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535043460 303341788 /nfs/dbraw/zinc/34/17/88/303341788.db2.gz YIWLGLPOPPXZOG-LBPRGKRZSA-N 1 1 315.333 1.245 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000362090447 307014090 /nfs/dbraw/zinc/01/40/90/307014090.db2.gz NHQPITCKCCIFJK-WCQYABFASA-N 1 1 319.361 1.044 20 5 DDBDMO COCCC[N@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000363786592 307035915 /nfs/dbraw/zinc/03/59/15/307035915.db2.gz VDXWLGKVBADXFF-UHFFFAOYSA-N 1 1 308.382 1.847 20 5 DDBDMO CCn1nccc1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367254244 307089870 /nfs/dbraw/zinc/08/98/70/307089870.db2.gz WALWFYGIZUNUBV-CQSZACIVSA-N 1 1 318.381 1.887 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368793734 307109823 /nfs/dbraw/zinc/10/98/23/307109823.db2.gz ZJROLWVVGQXEAM-CQSZACIVSA-N 1 1 319.361 1.689 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000369644806 307125714 /nfs/dbraw/zinc/12/57/14/307125714.db2.gz AKOLYITZDHWXEC-LBPRGKRZSA-N 1 1 323.397 1.013 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC23CCCCC3)c1 ZINC000371164666 307143820 /nfs/dbraw/zinc/14/38/20/307143820.db2.gz JPUHGQYMJSMEKA-AWEZNQCLSA-N 1 1 308.382 1.951 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000373164193 307180551 /nfs/dbraw/zinc/18/05/51/307180551.db2.gz DBUGOYITADFACY-SNVBAGLBSA-N 1 1 307.354 1.075 20 5 DDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000373393257 307187194 /nfs/dbraw/zinc/18/71/94/307187194.db2.gz OLYFTETWVXAADH-LLVKDONJSA-N 1 1 302.338 1.813 20 5 DDBDMO CC(C)O[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000570926352 308185825 /nfs/dbraw/zinc/18/58/25/308185825.db2.gz WCOBEQBLAIYVCG-GDBMZVCRSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H](CCN(C)C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460686 308316053 /nfs/dbraw/zinc/31/60/53/308316053.db2.gz XDXVCNRKCMJCMO-JSGCOSHPSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@@H](CC[NH+](C)C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460686 308316054 /nfs/dbraw/zinc/31/60/54/308316054.db2.gz XDXVCNRKCMJCMO-JSGCOSHPSA-N 1 1 311.382 1.264 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000583892210 337384087 /nfs/dbraw/zinc/38/40/87/337384087.db2.gz ZIFGKSKNRJFWGB-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728639 484215215 /nfs/dbraw/zinc/21/52/15/484215215.db2.gz FLAAXYDCEIKKJP-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338433 533922893 /nfs/dbraw/zinc/92/28/93/533922893.db2.gz JMEIXTJWSHQKBG-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000331338433 533922897 /nfs/dbraw/zinc/92/28/97/533922897.db2.gz JMEIXTJWSHQKBG-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000331338433 533922903 /nfs/dbraw/zinc/92/29/03/533922903.db2.gz JMEIXTJWSHQKBG-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330895787 534104317 /nfs/dbraw/zinc/10/43/17/534104317.db2.gz GJWAYHMYYYVHRG-RYUDHWBXSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154783452 525661710 /nfs/dbraw/zinc/66/17/10/525661710.db2.gz ALQFSOYTBYEBRJ-ZANVPECISA-N 1 1 310.310 1.634 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154783452 525661716 /nfs/dbraw/zinc/66/17/16/525661716.db2.gz ALQFSOYTBYEBRJ-ZANVPECISA-N 1 1 310.310 1.634 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000157291375 527312498 /nfs/dbraw/zinc/31/24/98/527312498.db2.gz RWEKLBAYMSAYKS-SWLSCSKDSA-N 1 1 318.377 1.855 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451938520 527789690 /nfs/dbraw/zinc/78/96/90/527789690.db2.gz OEUMTEMZJQTHOG-LERXQTSPSA-N 1 1 323.349 1.315 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302485920 528311586 /nfs/dbraw/zinc/31/15/86/528311586.db2.gz YKKMEMRJKHOSHX-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797418619 700008562 /nfs/dbraw/zinc/00/85/62/700008562.db2.gz ZNJLTDIICDCOIZ-OAHLLOKOSA-N 1 1 317.349 1.360 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000108459085 696634002 /nfs/dbraw/zinc/63/40/02/696634002.db2.gz ARVIPMGGDRHOCR-LBPRGKRZSA-N 1 1 318.377 1.700 20 5 DDBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)S(C)(=O)=O ZINC000124272333 696741076 /nfs/dbraw/zinc/74/10/76/696741076.db2.gz GIXLBNUEVGSPIH-UHFFFAOYSA-N 1 1 314.407 1.892 20 5 DDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)S(C)(=O)=O ZINC000124272333 696741080 /nfs/dbraw/zinc/74/10/80/696741080.db2.gz GIXLBNUEVGSPIH-UHFFFAOYSA-N 1 1 314.407 1.892 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000151638373 696888668 /nfs/dbraw/zinc/88/86/68/696888668.db2.gz AUTOJLBROOHCNB-NSHDSACASA-N 1 1 318.333 1.787 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000151638373 696888669 /nfs/dbraw/zinc/88/86/69/696888669.db2.gz AUTOJLBROOHCNB-NSHDSACASA-N 1 1 318.333 1.787 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582168 698121192 /nfs/dbraw/zinc/12/11/92/698121192.db2.gz RVCURFPACBJKPP-KGLIPLIRSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1CCO ZINC000777831399 698225561 /nfs/dbraw/zinc/22/55/61/698225561.db2.gz CVLQEYWPGCWLCU-JTQLQIEISA-N 1 1 322.390 1.707 20 5 DDBDMO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1CCO ZINC000777831399 698225566 /nfs/dbraw/zinc/22/55/66/698225566.db2.gz CVLQEYWPGCWLCU-JTQLQIEISA-N 1 1 322.390 1.707 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778899585 698380747 /nfs/dbraw/zinc/38/07/47/698380747.db2.gz NBOGYCUGRQIRBT-UHFFFAOYSA-N 1 1 319.273 1.685 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794704606 699825336 /nfs/dbraw/zinc/82/53/36/699825336.db2.gz LIXCPBCAXGZWNK-OAHLLOKOSA-N 1 1 317.349 1.408 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000795752753 699889878 /nfs/dbraw/zinc/88/98/78/699889878.db2.gz VRJQWMBOZHMWOI-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000795752753 699889881 /nfs/dbraw/zinc/88/98/81/699889881.db2.gz VRJQWMBOZHMWOI-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C[C@H]1C ZINC000754079786 700481382 /nfs/dbraw/zinc/48/13/82/700481382.db2.gz LTTIGIGTZUNFBD-LLVKDONJSA-N 1 1 306.366 1.485 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076318 700840033 /nfs/dbraw/zinc/84/00/33/700840033.db2.gz NRRLOSOLCXRHFT-AAEUAGOBSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000767179302 701088602 /nfs/dbraw/zinc/08/86/02/701088602.db2.gz SQBQNZUJHPPKOU-SNVBAGLBSA-N 1 1 311.769 1.953 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000767179302 701088603 /nfs/dbraw/zinc/08/86/03/701088603.db2.gz SQBQNZUJHPPKOU-SNVBAGLBSA-N 1 1 311.769 1.953 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804446419 701190814 /nfs/dbraw/zinc/19/08/14/701190814.db2.gz GEJAKFYJBCIVHM-SNVBAGLBSA-N 1 1 309.326 1.161 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804446419 701190817 /nfs/dbraw/zinc/19/08/17/701190817.db2.gz GEJAKFYJBCIVHM-SNVBAGLBSA-N 1 1 309.326 1.161 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[N@@H+](C)C1CC1 ZINC000770220320 701271918 /nfs/dbraw/zinc/27/19/18/701271918.db2.gz DTXDEUCGWZOTMW-UHFFFAOYSA-N 1 1 306.366 1.485 20 5 DDBDMO CCOc1cc(NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000771201346 701312991 /nfs/dbraw/zinc/31/29/91/701312991.db2.gz GFXVVDDBHGGZRY-UHFFFAOYSA-N 1 1 322.365 1.179 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879145356 706598596 /nfs/dbraw/zinc/59/85/96/706598596.db2.gz TXQNPXWWKXTHHE-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO O=C1N[C@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000830917410 706602483 /nfs/dbraw/zinc/60/24/83/706602483.db2.gz XVJIOYUVBHCPAF-KWCYVHTRSA-N 1 1 321.333 1.059 20 5 DDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668353 701773977 /nfs/dbraw/zinc/77/39/77/701773977.db2.gz ZRGXFQMRYHLJCZ-HOCLYGCPSA-N 1 1 322.361 1.903 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867952751 701851197 /nfs/dbraw/zinc/85/11/97/701851197.db2.gz FAIQSYZSPNXVIQ-MRXNPFEDSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@H]21 ZINC000866207001 706648521 /nfs/dbraw/zinc/64/85/21/706648521.db2.gz NUVVZLLYSJTWOX-NXEZZACHSA-N 1 1 303.322 1.661 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206768 706648672 /nfs/dbraw/zinc/64/86/72/706648672.db2.gz NAYJROBUMLTZJL-RYUDHWBXSA-N 1 1 304.350 1.224 20 5 DDBDMO COCCCC[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000841690787 702540086 /nfs/dbraw/zinc/54/00/86/702540086.db2.gz IOCHZBJTSNXHSN-UHFFFAOYSA-N 1 1 321.175 1.870 20 5 DDBDMO COCCCC[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000841690787 702540088 /nfs/dbraw/zinc/54/00/88/702540088.db2.gz IOCHZBJTSNXHSN-UHFFFAOYSA-N 1 1 321.175 1.870 20 5 DDBDMO CON1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000846975216 703359685 /nfs/dbraw/zinc/35/96/85/703359685.db2.gz BWSQPKMHUUNESV-UHFFFAOYSA-N 1 1 322.365 1.411 20 5 DDBDMO C[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000818966594 704036845 /nfs/dbraw/zinc/03/68/45/704036845.db2.gz LMSBEZJZEFIANQ-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000818971349 704038798 /nfs/dbraw/zinc/03/87/98/704038798.db2.gz UPIJTTCFYZHHNQ-GWCFXTLKSA-N 1 1 317.349 1.517 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000852432207 704044749 /nfs/dbraw/zinc/04/47/49/704044749.db2.gz JANRVEWSTGLAQR-AWEZNQCLSA-N 1 1 305.334 1.664 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000852432980 704045612 /nfs/dbraw/zinc/04/56/12/704045612.db2.gz RLOCQGLIALVUOU-ZDUSSCGKSA-N 1 1 321.333 1.500 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000870874383 704153333 /nfs/dbraw/zinc/15/33/33/704153333.db2.gz IVGVBGLNBOHXBP-ZBEGNZNMSA-N 1 1 321.377 1.795 20 5 DDBDMO CCN(C[C@H]1CCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870875366 704153618 /nfs/dbraw/zinc/15/36/18/704153618.db2.gz LUKUNUFUXKUTHQ-MLGOLLRUSA-N 1 1 321.377 1.654 20 5 DDBDMO COCC1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870884685 704157064 /nfs/dbraw/zinc/15/70/64/704157064.db2.gz FVOJHWIFVZDHIA-MRXNPFEDSA-N 1 1 321.377 1.654 20 5 DDBDMO CN(C[C@H]1CCCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870922636 704170086 /nfs/dbraw/zinc/17/00/86/704170086.db2.gz KQJWVWKAPSWVJP-MLGOLLRUSA-N 1 1 321.377 1.654 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)n1 ZINC000871156772 704233843 /nfs/dbraw/zinc/23/38/43/704233843.db2.gz MCNJSBOPFOFMGX-UHFFFAOYSA-N 1 1 309.370 1.368 20 5 DDBDMO CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000855485764 704487321 /nfs/dbraw/zinc/48/73/21/704487321.db2.gz HDAFOBVEPBZZAU-GJZGRUSLSA-N 1 1 321.377 1.571 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000823100739 705139632 /nfs/dbraw/zinc/13/96/32/705139632.db2.gz IHNCATLRNQNNMQ-TZMCWYRMSA-N 1 1 303.362 1.988 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822360 705181467 /nfs/dbraw/zinc/18/14/67/705181467.db2.gz ARBBDDZLZGIVMT-KGLIPLIRSA-N 1 1 321.352 1.972 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827731 705186161 /nfs/dbraw/zinc/18/61/61/705186161.db2.gz SWYYQWWTDQFOBI-ZNMIVQPWSA-N 1 1 319.361 1.323 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000823469099 705249931 /nfs/dbraw/zinc/24/99/31/705249931.db2.gz OQPLJUWJXPHQFP-CABCVRRESA-N 1 1 317.349 1.557 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646701 705833229 /nfs/dbraw/zinc/83/32/29/705833229.db2.gz DRMGDQRVUIVVHS-IUODEOHRSA-N 1 1 321.377 1.428 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264784 705963320 /nfs/dbraw/zinc/96/33/20/705963320.db2.gz DOTUQMFNNVMITF-DGCLKSJQSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864958759 706312082 /nfs/dbraw/zinc/31/20/82/706312082.db2.gz UUUHPFKVXHBSQW-UHFFFAOYSA-N 1 1 320.324 1.988 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880528821 707005423 /nfs/dbraw/zinc/00/54/23/707005423.db2.gz HBIPXIIVAMFXCW-AEGPPILISA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880528821 707005425 /nfs/dbraw/zinc/00/54/25/707005425.db2.gz HBIPXIIVAMFXCW-AEGPPILISA-N 1 1 319.361 1.229 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880588939 707029601 /nfs/dbraw/zinc/02/96/01/707029601.db2.gz IHZLLMMHDCDIJF-HNNXBMFYSA-N 1 1 306.362 1.958 20 5 DDBDMO C[N@@H+](CCCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000837224554 707601711 /nfs/dbraw/zinc/60/17/11/707601711.db2.gz DNHOLORPAXSLGM-OAHLLOKOSA-N 1 1 321.377 1.619 20 5 DDBDMO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839464098 708049510 /nfs/dbraw/zinc/04/95/10/708049510.db2.gz VKQYYTSTCAEOPK-KFWWJZLASA-N 1 1 305.378 1.851 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897221628 708259160 /nfs/dbraw/zinc/25/91/60/708259160.db2.gz NXPCAXCOMKJUPJ-KBPBESRZSA-N 1 1 305.378 1.939 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221372 708259546 /nfs/dbraw/zinc/25/95/46/708259546.db2.gz MBDSGDKSQTZXHM-STQMWFEESA-N 1 1 323.397 1.155 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000886596181 708788003 /nfs/dbraw/zinc/78/80/03/708788003.db2.gz YLRWCHBVDUKHKX-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000886596181 708788004 /nfs/dbraw/zinc/78/80/04/708788004.db2.gz YLRWCHBVDUKHKX-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000898835474 708884384 /nfs/dbraw/zinc/88/43/84/708884384.db2.gz NPGAMDHQBBQGDL-KBPBESRZSA-N 1 1 319.361 1.903 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1C ZINC000899155274 709003151 /nfs/dbraw/zinc/00/31/51/709003151.db2.gz YAEPAZOAZIBYOP-LBPRGKRZSA-N 1 1 307.350 1.008 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887930630 709168999 /nfs/dbraw/zinc/16/89/99/709168999.db2.gz QDPPMNXPIXSZRF-BMIGLBTASA-N 1 1 307.325 1.758 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887934191 709170557 /nfs/dbraw/zinc/17/05/57/709170557.db2.gz CVSPPEZUOWZFFZ-WBMJQRKESA-N 1 1 303.362 1.927 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104022 713132292 /nfs/dbraw/zinc/13/22/92/713132292.db2.gz STCAQWJFTNIOJO-UONOGXRCSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104022 713132293 /nfs/dbraw/zinc/13/22/93/713132293.db2.gz STCAQWJFTNIOJO-UONOGXRCSA-N 1 1 321.402 1.904 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000891572208 710238701 /nfs/dbraw/zinc/23/87/01/710238701.db2.gz RLTGVEJXPWKFAX-CYBMUJFWSA-N 1 1 324.381 1.767 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913286078 713191629 /nfs/dbraw/zinc/19/16/29/713191629.db2.gz YRDFMULBILLXLT-IYBDPMFKSA-N 1 1 318.377 1.591 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928431520 713192702 /nfs/dbraw/zinc/19/27/02/713192702.db2.gz FBEXYQXVJIIWOX-FZMZJTMJSA-N 1 1 319.361 1.767 20 5 DDBDMO COc1c(O)ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000893669909 710770705 /nfs/dbraw/zinc/77/07/05/710770705.db2.gz XCLBNAQVRRRBRM-WDEREUQCSA-N 1 1 309.366 1.833 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc4nonc4c3[N+](=O)[O-])C2)C1 ZINC000893964399 710903331 /nfs/dbraw/zinc/90/33/31/710903331.db2.gz QMBBZVWBTSATTP-AWEZNQCLSA-N 1 1 303.322 1.663 20 5 DDBDMO COc1cc([C@@H](C)NC[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091851 711030092 /nfs/dbraw/zinc/03/00/92/711030092.db2.gz BMJJVKYGMXKSJU-DOMZBBRYSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([C@@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091851 711030097 /nfs/dbraw/zinc/03/00/97/711030097.db2.gz BMJJVKYGMXKSJU-DOMZBBRYSA-N 1 1 322.409 1.500 20 5 DDBDMO C[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912377504 711301055 /nfs/dbraw/zinc/30/10/55/711301055.db2.gz ORUDJEATZDSUOM-OAHLLOKOSA-N 1 1 305.334 1.515 20 5 DDBDMO Cc1nc(NC[C@@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521179 711737421 /nfs/dbraw/zinc/73/74/21/711737421.db2.gz HQQRYKYSNLDYGH-ZDUSSCGKSA-N 1 1 306.366 1.963 20 5 DDBDMO Nc1c(F)c(NC[C@@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521169 711737459 /nfs/dbraw/zinc/73/74/59/711737459.db2.gz HKUQGGUCPYRLGD-NSHDSACASA-N 1 1 324.356 1.981 20 5 DDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(F)c(Cl)c1 ZINC000905202480 711966672 /nfs/dbraw/zinc/96/66/72/711966672.db2.gz MNGPPPIBJBTEQJ-LLVKDONJSA-N 1 1 301.705 1.451 20 5 DDBDMO C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000906318149 712296567 /nfs/dbraw/zinc/29/65/67/712296567.db2.gz UVNWDEGJQSJJQY-GFCCVEGCSA-N 1 1 320.393 1.265 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000914291384 713371523 /nfs/dbraw/zinc/37/15/23/713371523.db2.gz KLOWPDUCTVUHPU-LBPRGKRZSA-N 1 1 308.338 1.107 20 5 DDBDMO CCOC(=O)c1ccc(N2CCC[N@H+](CC[N+](=O)[O-])CC2)nc1 ZINC000929926394 713719672 /nfs/dbraw/zinc/71/96/72/713719672.db2.gz VSTIUDCXADUNGM-UHFFFAOYSA-N 1 1 322.365 1.047 20 5 DDBDMO CCOC(=O)c1ccc(N2CCC[N@@H+](CC[N+](=O)[O-])CC2)nc1 ZINC000929926394 713719673 /nfs/dbraw/zinc/71/96/73/713719673.db2.gz VSTIUDCXADUNGM-UHFFFAOYSA-N 1 1 322.365 1.047 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1(O)CCCC1 ZINC000930354010 713812508 /nfs/dbraw/zinc/81/25/08/713812508.db2.gz NGXQTUFBEMNYCH-OAHLLOKOSA-N 1 1 308.378 1.735 20 5 DDBDMO CC1(C)CC(=O)NCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000931205461 714035803 /nfs/dbraw/zinc/03/58/03/714035803.db2.gz MXJYCEFGUGGZQG-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931311823 714062750 /nfs/dbraw/zinc/06/27/50/714062750.db2.gz PPYRQDFKJMZAMU-ZACQAIPSSA-N 1 1 319.405 1.902 20 5 DDBDMO C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439821 714098494 /nfs/dbraw/zinc/09/84/94/714098494.db2.gz ONZCVWNFGRTWCP-YCPHGPKFSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439821 714098501 /nfs/dbraw/zinc/09/85/01/714098501.db2.gz ONZCVWNFGRTWCP-YCPHGPKFSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439821 714098504 /nfs/dbraw/zinc/09/85/04/714098504.db2.gz ONZCVWNFGRTWCP-YCPHGPKFSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989610 714717974 /nfs/dbraw/zinc/71/79/74/714717974.db2.gz SSJCOIXUVJNSLS-IUCAKERBSA-N 1 1 313.741 1.043 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934252389 714774739 /nfs/dbraw/zinc/77/47/39/714774739.db2.gz MOODQSACGBAKRJ-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934252389 714774740 /nfs/dbraw/zinc/77/47/40/714774740.db2.gz MOODQSACGBAKRJ-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934252389 714774741 /nfs/dbraw/zinc/77/47/41/714774741.db2.gz MOODQSACGBAKRJ-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000611712217 719388927 /nfs/dbraw/zinc/38/89/27/719388927.db2.gz XZWBNTJGLXWLND-KGLIPLIRSA-N 1 1 315.333 1.057 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923253 721849247 /nfs/dbraw/zinc/84/92/47/721849247.db2.gz UNHOKRDCMBXEFW-UONOGXRCSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923253 721849248 /nfs/dbraw/zinc/84/92/48/721849248.db2.gz UNHOKRDCMBXEFW-UONOGXRCSA-N 1 1 305.382 1.204 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775280 736852628 /nfs/dbraw/zinc/85/26/28/736852628.db2.gz KXRVMRSUSZRSJI-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775280 736852632 /nfs/dbraw/zinc/85/26/32/736852632.db2.gz KXRVMRSUSZRSJI-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775280 736852634 /nfs/dbraw/zinc/85/26/34/736852634.db2.gz KXRVMRSUSZRSJI-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001126932158 742776653 /nfs/dbraw/zinc/77/66/53/742776653.db2.gz JXTJWFPDRPFIGM-HUUCEWRRSA-N 1 1 303.362 1.046 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685214 747576917 /nfs/dbraw/zinc/57/69/17/747576917.db2.gz HZUCEWJFBCCKJK-HUUCEWRRSA-N 1 1 321.377 1.790 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001137250278 749700871 /nfs/dbraw/zinc/70/08/71/749700871.db2.gz STDAGFNGQDTOLK-YPMHNXCESA-N 1 1 318.377 1.876 20 5 DDBDMO C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038233 762192662 /nfs/dbraw/zinc/19/26/62/762192662.db2.gz XGUXSHACXFZCFQ-NEPJUHHUSA-N 1 1 313.398 1.983 20 5 DDBDMO Cc1cncnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053207 762208199 /nfs/dbraw/zinc/20/81/99/762208199.db2.gz IEJSUKLVBVTMAX-HZSPNIEDSA-N 1 1 306.366 1.684 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674993 753877199 /nfs/dbraw/zinc/87/71/99/753877199.db2.gz PTVKBDWNKHPDMV-GHMZBOCLSA-N 1 1 321.299 1.352 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138916 760612372 /nfs/dbraw/zinc/61/23/72/760612372.db2.gz HYCAIANXMRTFIT-KBUPBQIOSA-N 1 1 303.362 1.131 20 5 DDBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325369 763467131 /nfs/dbraw/zinc/46/71/31/763467131.db2.gz AESJJTVQNVVQCU-HBJVGIJOSA-N 1 1 322.365 1.104 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327848 766254106 /nfs/dbraw/zinc/25/41/06/766254106.db2.gz IIKWAZPQSJXIMY-WDBKCZKBSA-N 1 1 312.341 1.939 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093840338 775123724 /nfs/dbraw/zinc/12/37/24/775123724.db2.gz IKEOWZZFFGIHHQ-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO CN(C)C(=O)C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915525 776929980 /nfs/dbraw/zinc/92/99/80/776929980.db2.gz NXVUPSKIAFRQSE-CQSZACIVSA-N 1 1 305.378 1.862 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001116405148 780506341 /nfs/dbraw/zinc/50/63/41/780506341.db2.gz WIMVXTYBYVOGAT-UHFFFAOYSA-N 1 1 303.322 1.562 20 5 DDBDMO CCn1cc([C@H](O)C[N@H+](CC[N+](=O)[O-])Cc2ccccc2)cn1 ZINC001119767204 781600284 /nfs/dbraw/zinc/60/02/84/781600284.db2.gz QCIJWLLNMSEZPD-MRXNPFEDSA-N 1 1 318.377 1.715 20 5 DDBDMO CCn1cc([C@H](O)C[N@@H+](CC[N+](=O)[O-])Cc2ccccc2)cn1 ZINC001119767204 781600287 /nfs/dbraw/zinc/60/02/87/781600287.db2.gz QCIJWLLNMSEZPD-MRXNPFEDSA-N 1 1 318.377 1.715 20 5 DDBDMO CC1(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001268828584 840875611 /nfs/dbraw/zinc/87/56/11/840875611.db2.gz FTUNTMABRAQYKS-UHFFFAOYSA-N 1 1 303.362 1.943 20 5 DDBDMO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001326823182 861633949 /nfs/dbraw/zinc/63/39/49/861633949.db2.gz SPCYZHXUZLLKRZ-HUUCEWRRSA-N 1 1 317.389 1.789 20 5 DDBDMO CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072724813 857641955 /nfs/dbraw/zinc/64/19/55/857641955.db2.gz FSIMYNAZFJWJRU-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072724813 857641960 /nfs/dbraw/zinc/64/19/60/857641960.db2.gz FSIMYNAZFJWJRU-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CCC(CC)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072724813 857641964 /nfs/dbraw/zinc/64/19/64/857641964.db2.gz FSIMYNAZFJWJRU-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001121931505 858638143 /nfs/dbraw/zinc/63/81/43/858638143.db2.gz BCSCTQXZDGUJOQ-UHFFFAOYSA-N 1 1 321.711 1.891 20 5 DDBDMO C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001122253112 858725314 /nfs/dbraw/zinc/72/53/14/858725314.db2.gz JPEWXZSXYKDPDM-XHDPSFHLSA-N 1 1 307.350 1.406 20 5 DDBDMO COc1cc(C)nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157266354 863694831 /nfs/dbraw/zinc/69/48/31/863694831.db2.gz RBEHOKKRAQEZAW-NEPJUHHUSA-N 1 1 306.366 1.837 20 5 DDBDMO Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158231531 864503744 /nfs/dbraw/zinc/50/37/44/864503744.db2.gz IKTDZMVLONNRGD-HNNXBMFYSA-N 1 1 322.365 1.271 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4CC[C@H]4C3)nn2)cc1 ZINC001158434472 864651684 /nfs/dbraw/zinc/65/16/84/864651684.db2.gz SEEWGLKXFFYOCB-AWEZNQCLSA-N 1 1 311.345 1.946 20 5 DDBDMO CN1CCOC[C@@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158707136 864831877 /nfs/dbraw/zinc/83/18/77/864831877.db2.gz IYLLHDKHYJBUSH-IHVVCDCBSA-N 1 1 321.381 1.265 20 5 DDBDMO COC(=O)c1cnc(NCC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001160965303 866224674 /nfs/dbraw/zinc/22/46/74/866224674.db2.gz WCKUKFPTDFNXFD-LLVKDONJSA-N 1 1 308.338 1.673 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1C ZINC001334414893 867553236 /nfs/dbraw/zinc/55/32/36/867553236.db2.gz HROWKMAQGYJQLQ-CYBMUJFWSA-N 1 1 320.393 1.187 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001162683170 867728244 /nfs/dbraw/zinc/72/82/44/867728244.db2.gz QOQXAKYRTFBMJP-VIFPVBQESA-N 1 1 321.312 1.420 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001162683170 867728252 /nfs/dbraw/zinc/72/82/52/867728252.db2.gz QOQXAKYRTFBMJP-VIFPVBQESA-N 1 1 321.312 1.420 20 5 DDBDMO Cc1nc(NCC[C@@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162815866 867850258 /nfs/dbraw/zinc/85/02/58/867850258.db2.gz ZVBRBJBCGNGIDZ-VIFPVBQESA-N 1 1 301.297 1.740 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001322752717 868362628 /nfs/dbraw/zinc/36/26/28/868362628.db2.gz MPAZNEDSTWUGOB-LBPRGKRZSA-N 1 1 308.382 1.580 20 5 DDBDMO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC001226068686 882189367 /nfs/dbraw/zinc/18/93/67/882189367.db2.gz UXDXTKZDZXQXKU-UHFFFAOYSA-N 1 1 314.363 1.471 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC(N3CC(F)C3)C2)ncc1[N+](=O)[O-] ZINC001163757861 868685999 /nfs/dbraw/zinc/68/59/99/868685999.db2.gz CKCSMAMVEOZBGU-ONEGZZNKSA-N 1 1 321.356 1.364 20 5 DDBDMO CCOc1nc(N2CCC(F)(F)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164323940 869129582 /nfs/dbraw/zinc/12/95/82/869129582.db2.gz PLGJCPYLYUSQDO-VIFPVBQESA-N 1 1 302.281 1.561 20 5 DDBDMO CC1(C)CC(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001164494361 869232004 /nfs/dbraw/zinc/23/20/04/869232004.db2.gz GXCUXXAOJYNEJA-ZIAGYGMSSA-N 1 1 323.437 1.964 20 5 DDBDMO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226441677 882433585 /nfs/dbraw/zinc/43/35/85/882433585.db2.gz TZBHQXRBAFDRKI-SNVBAGLBSA-N 1 1 324.333 1.863 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303985496 871171886 /nfs/dbraw/zinc/17/18/86/871171886.db2.gz GWBLCGCKJWKYBM-CQSZACIVSA-N 1 1 321.377 1.820 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1(CO)CC1 ZINC001307698377 871451049 /nfs/dbraw/zinc/45/10/49/871451049.db2.gz MYUCGZNBTHVMLE-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1(CO)CC1 ZINC001307698377 871451057 /nfs/dbraw/zinc/45/10/57/871451057.db2.gz MYUCGZNBTHVMLE-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO COC(=O)/C(C)=C\C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999812 871462817 /nfs/dbraw/zinc/46/28/17/871462817.db2.gz OTXNXEJAUUIDTA-OCOPJHETSA-N 1 1 308.334 1.511 20 5 DDBDMO COC(=O)/C(C)=C\C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999813 871463114 /nfs/dbraw/zinc/46/31/14/871463114.db2.gz OTXNXEJAUUIDTA-QARUFBMTSA-N 1 1 308.334 1.511 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC001308578351 871514305 /nfs/dbraw/zinc/51/43/05/871514305.db2.gz NREQHTIYHPCCPM-JTQLQIEISA-N 1 1 323.349 1.396 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C2COC(C)(C)OC2)c1[N+](=O)[O-] ZINC001308672795 871516675 /nfs/dbraw/zinc/51/66/75/871516675.db2.gz OIBIZQWXFKONLM-UHFFFAOYSA-N 1 1 312.322 1.550 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C1N=NC(=O)N1C ZINC001308846945 871531494 /nfs/dbraw/zinc/53/14/94/871531494.db2.gz XPBPMPUNZUUDLM-SNVBAGLBSA-N 1 1 305.338 1.897 20 5 DDBDMO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001348223685 874436024 /nfs/dbraw/zinc/43/60/24/874436024.db2.gz GCOXVLOSLVBQIX-QCZZGDTMSA-N 1 1 305.334 1.370 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001348223685 874436025 /nfs/dbraw/zinc/43/60/25/874436025.db2.gz GCOXVLOSLVBQIX-QCZZGDTMSA-N 1 1 305.334 1.370 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001355391970 878531724 /nfs/dbraw/zinc/53/17/24/878531724.db2.gz NSEGMRIUYCCROB-QWHCGFSZSA-N 1 1 324.429 1.191 20 5 DDBDMO CC[N@@H+]1CCC[C@@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228813268 883683520 /nfs/dbraw/zinc/68/35/20/883683520.db2.gz AKEHBKLNUWUSJH-SNVBAGLBSA-N 1 1 324.333 1.950 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228813268 883683528 /nfs/dbraw/zinc/68/35/28/883683528.db2.gz AKEHBKLNUWUSJH-SNVBAGLBSA-N 1 1 324.333 1.950 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)C[N+](C)(C)C)cc1O ZINC001228813391 883684543 /nfs/dbraw/zinc/68/45/43/883684543.db2.gz BZIOBONGOVGEPR-VIFPVBQESA-O 1 1 313.330 1.561 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCNC2(CC[NH2+]CC2)C1 ZINC001246606863 892732253 /nfs/dbraw/zinc/73/22/53/892732253.db2.gz SPUFAHPDORJYJH-AWEZNQCLSA-N 1 1 318.421 1.553 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246857607 892947443 /nfs/dbraw/zinc/94/74/43/892947443.db2.gz BNASOOILKPTTIG-CLJRNHLWSA-N 1 1 305.378 1.431 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001254553474 896499082 /nfs/dbraw/zinc/49/90/82/896499082.db2.gz VQMKCQCKIIQZBL-OSRSDYAFSA-N 1 1 320.389 1.998 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001254553474 896499090 /nfs/dbraw/zinc/49/90/90/896499090.db2.gz VQMKCQCKIIQZBL-OSRSDYAFSA-N 1 1 320.389 1.998 20 5 DDBDMO COC[C@]12COC[C@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595549 896522883 /nfs/dbraw/zinc/52/28/83/896522883.db2.gz LWNMOLNFIFCDHQ-DJIMGWMZSA-N 1 1 318.373 1.657 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001261510244 899612166 /nfs/dbraw/zinc/61/21/66/899612166.db2.gz SCMLMINJMVXOKP-CQSZACIVSA-N 1 1 321.352 1.973 20 5 DDBDMO COC(=O)c1ccnc(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001262710402 900323002 /nfs/dbraw/zinc/32/30/02/900323002.db2.gz OTGBYDXAIPQOOP-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001279252808 903202833 /nfs/dbraw/zinc/20/28/33/903202833.db2.gz CDQYWUQZUISFHC-AAVRWANBSA-N 1 1 315.389 1.523 20 5 DDBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000248780739 282108309 /nfs/dbraw/zinc/10/83/09/282108309.db2.gz WKGPRRHWSMEWIA-VXGBXAGGSA-N 1 1 309.370 1.028 20 5 DDBDMO CC[C@@]1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248951639 282120058 /nfs/dbraw/zinc/12/00/58/282120058.db2.gz PQJGGUFQXFTFKV-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248951639 282120066 /nfs/dbraw/zinc/12/00/66/282120066.db2.gz PQJGGUFQXFTFKV-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO O=[N+]([O-])c1ncn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000278579114 214251860 /nfs/dbraw/zinc/25/18/60/214251860.db2.gz OMOXBIAOEHRDTD-AWEZNQCLSA-N 1 1 317.349 1.477 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000296740497 529466304 /nfs/dbraw/zinc/46/63/04/529466304.db2.gz AOLOHBZIJXTDIW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000296740497 529466308 /nfs/dbraw/zinc/46/63/08/529466308.db2.gz AOLOHBZIJXTDIW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457212058 529467110 /nfs/dbraw/zinc/46/71/10/529467110.db2.gz WVSBJHSHGKGCNL-UHFFFAOYSA-N 1 1 309.370 1.485 20 5 DDBDMO C[N@H+](CCOCC1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000088599208 185259059 /nfs/dbraw/zinc/25/90/59/185259059.db2.gz FJNBGHFSNPOMPW-UHFFFAOYSA-N 1 1 307.350 1.552 20 5 DDBDMO C[N@@H+](CCOCC1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000088599208 185259060 /nfs/dbraw/zinc/25/90/60/185259060.db2.gz FJNBGHFSNPOMPW-UHFFFAOYSA-N 1 1 307.350 1.552 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000255640725 282271637 /nfs/dbraw/zinc/27/16/37/282271637.db2.gz TYDHVVOLCGIPTR-IDTUSYRASA-N 1 1 301.346 1.915 20 5 DDBDMO C[N@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000097028015 185399034 /nfs/dbraw/zinc/39/90/34/185399034.db2.gz NXAXBCIIFOQDMU-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425050719 529822072 /nfs/dbraw/zinc/82/20/72/529822072.db2.gz RTUJFLLGIORJIH-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286722008 219129567 /nfs/dbraw/zinc/12/95/67/219129567.db2.gz BDIBOCNDWIXKTF-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1=CC[N@@H+](C)CC1 ZINC000272753446 210156557 /nfs/dbraw/zinc/15/65/57/210156557.db2.gz FDDNCQXIZFDJQL-JTQLQIEISA-N 1 1 304.350 1.557 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000286737979 219137563 /nfs/dbraw/zinc/13/75/63/219137563.db2.gz XZCYHPJLRHQGIV-TZMCWYRMSA-N 1 1 323.349 1.387 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000458219189 530060981 /nfs/dbraw/zinc/06/09/81/530060981.db2.gz OTLWCQQERAHNFD-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000616359384 362656837 /nfs/dbraw/zinc/65/68/37/362656837.db2.gz OZAAEVTVFLLYAU-NSHDSACASA-N 1 1 321.377 1.983 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000272616694 210017080 /nfs/dbraw/zinc/01/70/80/210017080.db2.gz LHZIWVGJOXKKOY-GXFFZTMASA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138649502 186018361 /nfs/dbraw/zinc/01/83/61/186018361.db2.gz ARJHYFJUWAIJNK-GARJFASQSA-N 1 1 309.370 1.414 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000173342871 186178410 /nfs/dbraw/zinc/17/84/10/186178410.db2.gz GLKFXPQJPUGLLK-CYBMUJFWSA-N 1 1 322.365 1.331 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000265994987 186352457 /nfs/dbraw/zinc/35/24/57/186352457.db2.gz JJCVHGREOGODLL-ZDUSSCGKSA-N 1 1 323.397 1.276 20 5 DDBDMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026160020 352206007 /nfs/dbraw/zinc/20/60/07/352206007.db2.gz STOVBPACQQVARW-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](O)C3)o2)cc1 ZINC000048615476 352544295 /nfs/dbraw/zinc/54/42/95/352544295.db2.gz GVBUPYXMTCTIEY-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](O)C3)o2)cc1 ZINC000048615476 352544298 /nfs/dbraw/zinc/54/42/98/352544298.db2.gz GVBUPYXMTCTIEY-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000068960686 353139047 /nfs/dbraw/zinc/13/90/47/353139047.db2.gz NLHVVSSXJWOYNM-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO CCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072953252 353227661 /nfs/dbraw/zinc/22/76/61/353227661.db2.gz GKCGYGVHRZKHFI-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072953252 353227663 /nfs/dbraw/zinc/22/76/63/353227663.db2.gz GKCGYGVHRZKHFI-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO COc1ccccc1C[N@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174845303 198392727 /nfs/dbraw/zinc/39/27/27/198392727.db2.gz GLAUPQAVPJIQJP-UHFFFAOYSA-N 1 1 320.349 1.294 20 5 DDBDMO COc1ccccc1C[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174845303 198392728 /nfs/dbraw/zinc/39/27/28/198392728.db2.gz GLAUPQAVPJIQJP-UHFFFAOYSA-N 1 1 320.349 1.294 20 5 DDBDMO Cc1ccnc(N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000078293491 353509207 /nfs/dbraw/zinc/50/92/07/353509207.db2.gz DSBQQRJHJWFNRQ-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO Cc1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078662683 353527655 /nfs/dbraw/zinc/52/76/55/353527655.db2.gz ANHPLOGXNNBDNW-AWEZNQCLSA-N 1 1 320.393 1.847 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108298464 353949056 /nfs/dbraw/zinc/94/90/56/353949056.db2.gz MEFMCXJHEGMDSU-ZDUSSCGKSA-N 1 1 321.381 1.090 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144000922 354152223 /nfs/dbraw/zinc/15/22/23/354152223.db2.gz SIQUMQIABSPGHP-JTQLQIEISA-N 1 1 305.334 1.570 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157689610 354225922 /nfs/dbraw/zinc/22/59/22/354225922.db2.gz XJFLPXCFSXWLHF-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157689610 354225924 /nfs/dbraw/zinc/22/59/24/354225924.db2.gz XJFLPXCFSXWLHF-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000321498353 354532690 /nfs/dbraw/zinc/53/26/90/354532690.db2.gz SPSKAAKMGIOIEN-LBPRGKRZSA-N 1 1 316.365 1.196 20 5 DDBDMO CN1CCN(C)[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000321498353 354532693 /nfs/dbraw/zinc/53/26/93/354532693.db2.gz SPSKAAKMGIOIEN-LBPRGKRZSA-N 1 1 316.365 1.196 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000321498353 354532696 /nfs/dbraw/zinc/53/26/96/354532696.db2.gz SPSKAAKMGIOIEN-LBPRGKRZSA-N 1 1 316.365 1.196 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000321498353 354532699 /nfs/dbraw/zinc/53/26/99/354532699.db2.gz SPSKAAKMGIOIEN-LBPRGKRZSA-N 1 1 316.365 1.196 20 5 DDBDMO CCOc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000315929279 354498377 /nfs/dbraw/zinc/49/83/77/354498377.db2.gz XBVVVJCUJJRXFL-CYBMUJFWSA-N 1 1 308.382 1.651 20 5 DDBDMO CCOc1cc(N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000585783576 354841982 /nfs/dbraw/zinc/84/19/82/354841982.db2.gz BDAHJNKVCRXLMR-HUUCEWRRSA-N 1 1 321.377 1.903 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588009275 354893532 /nfs/dbraw/zinc/89/35/32/354893532.db2.gz DSMJUAXWGLCCQJ-GHMZBOCLSA-N 1 1 308.382 1.588 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601314550 358491969 /nfs/dbraw/zinc/49/19/69/358491969.db2.gz JHSHKBHMVSUGHS-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601314550 358491970 /nfs/dbraw/zinc/49/19/70/358491970.db2.gz JHSHKBHMVSUGHS-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)cc1 ZINC000590005644 355039420 /nfs/dbraw/zinc/03/94/20/355039420.db2.gz DFVGCCPZFULJEI-ITGUQSILSA-N 1 1 316.317 1.315 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)cc1 ZINC000590005644 355039423 /nfs/dbraw/zinc/03/94/23/355039423.db2.gz DFVGCCPZFULJEI-ITGUQSILSA-N 1 1 316.317 1.315 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000346352274 283071918 /nfs/dbraw/zinc/07/19/18/283071918.db2.gz PIRGBIOVEXPZQX-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000591054808 355238710 /nfs/dbraw/zinc/23/87/10/355238710.db2.gz DNSXFDCRCPXOCS-SWLSCSKDSA-N 1 1 310.350 1.039 20 5 DDBDMO C[C@@H]1[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000592794062 355693819 /nfs/dbraw/zinc/69/38/19/355693819.db2.gz MIDYFXRDDAUKPO-MWLCHTKSSA-N 1 1 317.349 1.428 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594026646 356093180 /nfs/dbraw/zinc/09/31/80/356093180.db2.gz GJQHCXZZGDIRQL-LSDHHAIUSA-N 1 1 321.377 1.115 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595473633 356507569 /nfs/dbraw/zinc/50/75/69/356507569.db2.gz YMXSCOGSGWTFJE-ZDUSSCGKSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595473633 356507574 /nfs/dbraw/zinc/50/75/74/356507574.db2.gz YMXSCOGSGWTFJE-ZDUSSCGKSA-N 1 1 324.381 1.578 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595524096 356533049 /nfs/dbraw/zinc/53/30/49/356533049.db2.gz XMKQZMOYYHEVIY-AWEZNQCLSA-N 1 1 320.393 1.921 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595741355 356630227 /nfs/dbraw/zinc/63/02/27/356630227.db2.gz MXSGOSBVTLBLFC-ZWNOBZJWSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595741355 356630228 /nfs/dbraw/zinc/63/02/28/356630228.db2.gz MXSGOSBVTLBLFC-ZWNOBZJWSA-N 1 1 307.325 1.834 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595741685 356630276 /nfs/dbraw/zinc/63/02/76/356630276.db2.gz DBUWNENQQZKHKS-IJLUTSLNSA-N 1 1 321.377 1.871 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595738562 356629290 /nfs/dbraw/zinc/62/92/90/356629290.db2.gz WFNGPFLJBBPIAX-CQSZACIVSA-N 1 1 323.349 1.271 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836580 356671584 /nfs/dbraw/zinc/67/15/84/356671584.db2.gz WTHODXSOAQQDCG-CHWSQXEVSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836580 356671587 /nfs/dbraw/zinc/67/15/87/356671587.db2.gz WTHODXSOAQQDCG-CHWSQXEVSA-N 1 1 319.361 1.810 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]4COC[C@@H]4C3)nc2c1 ZINC000595827693 356666836 /nfs/dbraw/zinc/66/68/36/356666836.db2.gz DADYNDDEXCZDIT-QWRGUYRKSA-N 1 1 302.334 1.939 20 5 DDBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000596188322 356806134 /nfs/dbraw/zinc/80/61/34/356806134.db2.gz WMQDJBMRRGODBO-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1nc(N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596246402 356831163 /nfs/dbraw/zinc/83/11/63/356831163.db2.gz DLQQIBUETVJJCS-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO CC[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596269595 356838842 /nfs/dbraw/zinc/83/88/42/356838842.db2.gz UTFJBNONMWGNSU-SNVBAGLBSA-N 1 1 307.354 1.009 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597574711 357233867 /nfs/dbraw/zinc/23/38/67/357233867.db2.gz GYMOQASUKBQMRM-RYUDHWBXSA-N 1 1 310.329 1.192 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597792848 357331430 /nfs/dbraw/zinc/33/14/30/357331430.db2.gz BPAHLLCWJBFZRN-LLVKDONJSA-N 1 1 323.349 1.141 20 5 DDBDMO COCCN1CCC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597792848 357331435 /nfs/dbraw/zinc/33/14/35/357331435.db2.gz BPAHLLCWJBFZRN-LLVKDONJSA-N 1 1 323.349 1.141 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597857361 357360021 /nfs/dbraw/zinc/36/00/21/357360021.db2.gz FIXJGGLNFKHZMK-SNVBAGLBSA-N 1 1 323.397 1.873 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597859172 357361231 /nfs/dbraw/zinc/36/12/31/357361231.db2.gz ALARUWBUKGAQJY-SNVBAGLBSA-N 1 1 309.370 1.179 20 5 DDBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000597947573 357396288 /nfs/dbraw/zinc/39/62/88/357396288.db2.gz ZBUFXGKJFLTBDE-CQSZACIVSA-N 1 1 305.378 1.998 20 5 DDBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039036 357436911 /nfs/dbraw/zinc/43/69/11/357436911.db2.gz HRMPENRJISMQSI-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598039036 357436917 /nfs/dbraw/zinc/43/69/17/357436917.db2.gz HRMPENRJISMQSI-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598221929 357498291 /nfs/dbraw/zinc/49/82/91/357498291.db2.gz YRASKIRXHNGQOM-SNVBAGLBSA-N 1 1 307.354 1.455 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178780564 198929774 /nfs/dbraw/zinc/92/97/74/198929774.db2.gz QDFURPBXJMESBZ-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000598668053 357678178 /nfs/dbraw/zinc/67/81/78/357678178.db2.gz OOELQRKTFWLWFA-PSLIRLAXSA-N 1 1 315.333 1.425 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(C)COC1 ZINC000600188293 358149904 /nfs/dbraw/zinc/14/99/04/358149904.db2.gz BYOJVTJMCQFNMR-UHFFFAOYSA-N 1 1 308.334 1.834 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000600312437 358191727 /nfs/dbraw/zinc/19/17/27/358191727.db2.gz SFCYNPRZEYVDNE-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)[C@H]3CCCO3)c2c1 ZINC000601201017 358444948 /nfs/dbraw/zinc/44/49/48/358444948.db2.gz JVICIHBNMZFSBM-HUUCEWRRSA-N 1 1 303.318 1.517 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000601139966 358417998 /nfs/dbraw/zinc/41/79/98/358417998.db2.gz OIKCWNKCRSOZNP-LSDHHAIUSA-N 1 1 321.377 1.820 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@@H]3C1)OCCO2 ZINC000601977486 358762733 /nfs/dbraw/zinc/76/27/33/358762733.db2.gz UTFBQGXNKGKYEM-TXEJJXNPSA-N 1 1 306.318 1.444 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000602847912 359235246 /nfs/dbraw/zinc/23/52/46/359235246.db2.gz LOEHTZZGNVOFRW-NSHDSACASA-N 1 1 315.324 1.125 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000602850227 359237825 /nfs/dbraw/zinc/23/78/25/359237825.db2.gz QAMGFEFHNMWXCZ-GFCCVEGCSA-N 1 1 308.382 1.991 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602823130 359216833 /nfs/dbraw/zinc/21/68/33/359216833.db2.gz YUGJCAGSRPPTMG-HIFRSBDPSA-N 1 1 324.381 1.370 20 5 DDBDMO C[C@@](CO)([NH2+]CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965941 359330452 /nfs/dbraw/zinc/33/04/52/359330452.db2.gz RSSSZBXHLUIMNY-INIZCTEOSA-N 1 1 321.377 1.404 20 5 DDBDMO Cc1[nH+]ccn1Cc1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603206382 359480898 /nfs/dbraw/zinc/48/08/98/359480898.db2.gz SDQACJCULLUFKH-UHFFFAOYSA-N 1 1 304.335 1.849 20 5 DDBDMO Cc1nn(CC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322097 359568775 /nfs/dbraw/zinc/56/87/75/359568775.db2.gz SVGDLFHDHVMAKA-GHMZBOCLSA-N 1 1 319.365 1.757 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186801627 200013500 /nfs/dbraw/zinc/01/35/00/200013500.db2.gz KKTZDIYOBREIIC-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186801627 200013501 /nfs/dbraw/zinc/01/35/01/200013501.db2.gz KKTZDIYOBREIIC-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO CCc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000186857726 200022672 /nfs/dbraw/zinc/02/26/72/200022672.db2.gz WMDLKJBGSYWEJM-GFCCVEGCSA-N 1 1 321.377 1.296 20 5 DDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000189412978 200396473 /nfs/dbraw/zinc/39/64/73/200396473.db2.gz VNHPUGNBSLZCKV-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000189412978 200396475 /nfs/dbraw/zinc/39/64/75/200396475.db2.gz VNHPUGNBSLZCKV-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO COc1cc(CN[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000608782074 360242210 /nfs/dbraw/zinc/24/22/10/360242210.db2.gz SCKUNFSSKSTSMS-LBPRGKRZSA-N 1 1 309.366 1.796 20 5 DDBDMO COc1cc(CN[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000608782074 360242213 /nfs/dbraw/zinc/24/22/13/360242213.db2.gz SCKUNFSSKSTSMS-LBPRGKRZSA-N 1 1 309.366 1.796 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccc(O)cc3CC2)n1 ZINC000610485153 360447378 /nfs/dbraw/zinc/44/73/78/360447378.db2.gz GMSBQKNDXLWBTP-UHFFFAOYSA-N 1 1 302.334 1.598 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610899532 360567621 /nfs/dbraw/zinc/56/76/21/360567621.db2.gz YYGOFWFMAJOMNP-BXUZGUMPSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899532 360567626 /nfs/dbraw/zinc/56/76/26/360567626.db2.gz YYGOFWFMAJOMNP-BXUZGUMPSA-N 1 1 322.365 1.113 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610808398 360542441 /nfs/dbraw/zinc/54/24/41/360542441.db2.gz IJRXARYEYXTDMG-LLVKDONJSA-N 1 1 324.406 1.399 20 5 DDBDMO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)CO1 ZINC000611185227 360653249 /nfs/dbraw/zinc/65/32/49/360653249.db2.gz SLXQLDZXPJEIEY-UHFFFAOYSA-N 1 1 309.366 1.646 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)CO1 ZINC000611185227 360653255 /nfs/dbraw/zinc/65/32/55/360653255.db2.gz SLXQLDZXPJEIEY-UHFFFAOYSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092338 360621936 /nfs/dbraw/zinc/62/19/36/360621936.db2.gz QKKQKMQZEULANC-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092338 360621942 /nfs/dbraw/zinc/62/19/42/360621942.db2.gz QKKQKMQZEULANC-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092338 360621947 /nfs/dbraw/zinc/62/19/47/360621947.db2.gz QKKQKMQZEULANC-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCOC1 ZINC000611275763 360687076 /nfs/dbraw/zinc/68/70/76/360687076.db2.gz UGIJWDLWKVVTED-NSHDSACASA-N 1 1 308.334 1.834 20 5 DDBDMO COc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271975043 209352587 /nfs/dbraw/zinc/35/25/87/209352587.db2.gz NKTFNGHPQYPSFY-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000612070175 360908960 /nfs/dbraw/zinc/90/89/60/360908960.db2.gz DAYJUXDTKYMMGY-UONOGXRCSA-N 1 1 324.377 1.429 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000612110345 360923415 /nfs/dbraw/zinc/92/34/15/360923415.db2.gz DLVXILPDBGJFGS-QWRGUYRKSA-N 1 1 316.304 1.922 20 5 DDBDMO Cc1cc([N+](=O)[O-])nn1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000612605181 361079229 /nfs/dbraw/zinc/07/92/29/361079229.db2.gz IELZJPXQHKJIQA-CQSZACIVSA-N 1 1 304.350 1.593 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000271886631 209295254 /nfs/dbraw/zinc/29/52/54/209295254.db2.gz CZUUCRAWKLDHCU-UHFFFAOYSA-N 1 1 315.333 1.463 20 5 DDBDMO C[N@H+]1CC=C(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000271886631 209295259 /nfs/dbraw/zinc/29/52/59/209295259.db2.gz CZUUCRAWKLDHCU-UHFFFAOYSA-N 1 1 315.333 1.463 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000271886631 209295261 /nfs/dbraw/zinc/29/52/61/209295261.db2.gz CZUUCRAWKLDHCU-UHFFFAOYSA-N 1 1 315.333 1.463 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000613705074 361526915 /nfs/dbraw/zinc/52/69/15/361526915.db2.gz HNDOHZMSXFEUDR-UHFFFAOYSA-N 1 1 310.402 1.156 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275181034 212178009 /nfs/dbraw/zinc/17/80/09/212178009.db2.gz ARGFFRXZVYXYSP-TYNCELHUSA-N 1 1 320.345 1.530 20 5 DDBDMO CCOCC[N@@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264579252 204009040 /nfs/dbraw/zinc/00/90/40/204009040.db2.gz JFEHPWVBFJPQJM-AWEZNQCLSA-N 1 1 312.366 1.693 20 5 DDBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264655527 204056198 /nfs/dbraw/zinc/05/61/98/204056198.db2.gz UALOHJGHRSDRQH-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@@H+](CCCN1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000282562568 217091315 /nfs/dbraw/zinc/09/13/15/217091315.db2.gz YPRONROKPNJDEY-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284504872 218055110 /nfs/dbraw/zinc/05/51/10/218055110.db2.gz XXKNHUTVJNGTLR-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccccc1 ZINC000284822039 218193902 /nfs/dbraw/zinc/19/39/02/218193902.db2.gz AKHNIBKSIWSJOE-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105824043 194137357 /nfs/dbraw/zinc/13/73/57/194137357.db2.gz VOFRVNBOCMZUAN-UONOGXRCSA-N 1 1 307.394 1.524 20 5 DDBDMO CC[N@H+](CCC(=O)OC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000064570496 184300416 /nfs/dbraw/zinc/30/04/16/184300416.db2.gz DKHSFKDLDYOSKG-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000064570496 184300419 /nfs/dbraw/zinc/30/04/19/184300419.db2.gz DKHSFKDLDYOSKG-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412310016 224008805 /nfs/dbraw/zinc/00/88/05/224008805.db2.gz CXSVWXYNVNPLCD-UHFFFAOYSA-N 1 1 307.354 1.266 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119824700 195043705 /nfs/dbraw/zinc/04/37/05/195043705.db2.gz QZMTUWRTODWFRX-GFCCVEGCSA-N 1 1 323.397 1.344 20 5 DDBDMO O=C1NCCCC[C@H]1[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119973522 195072807 /nfs/dbraw/zinc/07/28/07/195072807.db2.gz KIGOKQIOSAHHMD-WCQYABFASA-N 1 1 319.365 1.145 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](CCO)CC1CC1 ZINC000352479102 285080333 /nfs/dbraw/zinc/08/03/33/285080333.db2.gz AOCOHFSSARFWJL-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000261736388 285156503 /nfs/dbraw/zinc/15/65/03/285156503.db2.gz RRVNTUIWIANPCV-SECBINFHSA-N 1 1 317.342 1.154 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000413303108 224172644 /nfs/dbraw/zinc/17/26/44/224172644.db2.gz PZMCMCAOKRAJOB-UHFFFAOYSA-N 1 1 313.377 1.449 20 5 DDBDMO CN(CCCN(C)c1ncc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000413303108 224172646 /nfs/dbraw/zinc/17/26/46/224172646.db2.gz PZMCMCAOKRAJOB-UHFFFAOYSA-N 1 1 313.377 1.449 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000352802442 285311410 /nfs/dbraw/zinc/31/14/10/285311410.db2.gz DVDCZMFZFCWYNN-ABAIWWIYSA-N 1 1 321.352 1.829 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000294932028 224319929 /nfs/dbraw/zinc/31/99/29/224319929.db2.gz KGTJPGRHMXCKKX-ZDUSSCGKSA-N 1 1 310.354 1.579 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](CC)CCO ZINC000289864981 221278074 /nfs/dbraw/zinc/27/80/74/221278074.db2.gz RGCYBEJJEHABRA-UHFFFAOYSA-N 1 1 324.381 1.593 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000414655763 224368326 /nfs/dbraw/zinc/36/83/26/224368326.db2.gz LYABKXLEKSDFTQ-UHFFFAOYSA-N 1 1 304.253 1.319 20 5 DDBDMO COCC[N@H+](C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440021 407088895 /nfs/dbraw/zinc/08/88/95/407088895.db2.gz XZPNIKMZQVUAJV-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO COCC[N@@H+](C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440021 407088898 /nfs/dbraw/zinc/08/88/98/407088898.db2.gz XZPNIKMZQVUAJV-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO CC(C)[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000085862043 407106542 /nfs/dbraw/zinc/10/65/42/407106542.db2.gz ZYCXXGOZBRNREY-UHFFFAOYSA-N 1 1 307.350 1.187 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046879086 407064899 /nfs/dbraw/zinc/06/48/99/407064899.db2.gz KVLUADCYLKNJKN-NSHDSACASA-N 1 1 306.366 1.760 20 5 DDBDMO O=C(C[N@@H+]1CCCSCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089986238 407164382 /nfs/dbraw/zinc/16/43/82/407164382.db2.gz GGRLICSMFVKPLH-UHFFFAOYSA-N 1 1 321.402 1.923 20 5 DDBDMO O=C(C[N@H+]1CCCSCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000089986238 407164386 /nfs/dbraw/zinc/16/43/86/407164386.db2.gz GGRLICSMFVKPLH-UHFFFAOYSA-N 1 1 321.402 1.923 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000098104768 407305850 /nfs/dbraw/zinc/30/58/50/407305850.db2.gz XPICEYVYJPLXJZ-JTQLQIEISA-N 1 1 309.370 1.098 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124267957 407353269 /nfs/dbraw/zinc/35/32/69/407353269.db2.gz RKADRDOBFKYLOU-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124267957 407353270 /nfs/dbraw/zinc/35/32/70/407353270.db2.gz RKADRDOBFKYLOU-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124268155 407353474 /nfs/dbraw/zinc/35/34/74/407353474.db2.gz RKADRDOBFKYLOU-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000124268155 407353476 /nfs/dbraw/zinc/35/34/76/407353476.db2.gz RKADRDOBFKYLOU-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283663 407336064 /nfs/dbraw/zinc/33/60/64/407336064.db2.gz ROGFRWFIJNZMQZ-OLZOCXBDSA-N 1 1 321.377 1.950 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000112364040 407427642 /nfs/dbraw/zinc/42/76/42/407427642.db2.gz ZXXBAVYUQPRUJL-UHFFFAOYSA-N 1 1 315.395 1.605 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c1 ZINC000127153268 407429215 /nfs/dbraw/zinc/42/92/15/407429215.db2.gz SHAPRFFPQXLGMI-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113198165 407474988 /nfs/dbraw/zinc/47/49/88/407474988.db2.gz AZKZIYLUTIGOGI-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000173612033 407889608 /nfs/dbraw/zinc/88/96/08/407889608.db2.gz CJXWMULNIDMJFY-CQSZACIVSA-N 1 1 307.350 1.871 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000173612033 407889614 /nfs/dbraw/zinc/88/96/14/407889614.db2.gz CJXWMULNIDMJFY-CQSZACIVSA-N 1 1 307.350 1.871 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272467542 407934733 /nfs/dbraw/zinc/93/47/33/407934733.db2.gz WIABJMJPDXLUSI-QWRGUYRKSA-N 1 1 309.370 1.131 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]([C@@H]3CCCC[C@H]3O)C2)nc1 ZINC000245635271 408031562 /nfs/dbraw/zinc/03/15/62/408031562.db2.gz RFPNOBNZBJHLPZ-MRVWCRGKSA-N 1 1 306.366 1.780 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189553211 408049952 /nfs/dbraw/zinc/04/99/52/408049952.db2.gz CFVYQIUFZHGWTD-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C1CCC(=O)N1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237604 407994853 /nfs/dbraw/zinc/99/48/53/407994853.db2.gz FEMRKTMNZNUKLY-UHFFFAOYSA-N 1 1 317.345 1.708 20 5 DDBDMO O=C1CCC(=O)N1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237604 407994859 /nfs/dbraw/zinc/99/48/59/407994859.db2.gz FEMRKTMNZNUKLY-UHFFFAOYSA-N 1 1 317.345 1.708 20 5 DDBDMO CCOC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136805111 408127053 /nfs/dbraw/zinc/12/70/53/408127053.db2.gz JPIAIMKVJQINBW-OAHLLOKOSA-N 1 1 322.361 1.903 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000151012993 408239534 /nfs/dbraw/zinc/23/95/34/408239534.db2.gz OBHTUIMKLSEFMG-AWEZNQCLSA-N 1 1 321.352 1.973 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155704572 408199224 /nfs/dbraw/zinc/19/92/24/408199224.db2.gz MXHDUIRISZNAAB-DOMZBBRYSA-N 1 1 305.378 1.982 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1COc2ccccc2O1 ZINC000176193541 408304142 /nfs/dbraw/zinc/30/41/42/408304142.db2.gz ZDGOETREDMCHHZ-GFCCVEGCSA-N 1 1 318.333 1.563 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183184966 408347213 /nfs/dbraw/zinc/34/72/13/408347213.db2.gz AGRFETPLPRKKJK-WCQYABFASA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183184966 408347218 /nfs/dbraw/zinc/34/72/18/408347218.db2.gz AGRFETPLPRKKJK-WCQYABFASA-N 1 1 319.361 1.187 20 5 DDBDMO C[NH+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000170867471 162197149 /nfs/dbraw/zinc/19/71/49/162197149.db2.gz ICOINSSJNGBAEL-SNVBAGLBSA-N 1 1 303.322 1.247 20 5 DDBDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191258757 408395164 /nfs/dbraw/zinc/39/51/64/408395164.db2.gz COLOPABOEDCHGX-VXGBXAGGSA-N 1 1 321.377 1.791 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000191482983 408432673 /nfs/dbraw/zinc/43/26/73/408432673.db2.gz BEMCXCLUPRJUKH-GFCCVEGCSA-N 1 1 321.377 1.983 20 5 DDBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000264324797 408444561 /nfs/dbraw/zinc/44/45/61/408444561.db2.gz LBRQOZUHYLVCCK-NSHDSACASA-N 1 1 304.354 1.929 20 5 DDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000247658917 408500725 /nfs/dbraw/zinc/50/07/25/408500725.db2.gz XHRZIOTYENHYSJ-GXTWGEPZSA-N 1 1 304.354 1.571 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534274 408566211 /nfs/dbraw/zinc/56/62/11/408566211.db2.gz WDMVXQYWFPEHNU-DOMZBBRYSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534274 408566215 /nfs/dbraw/zinc/56/62/15/408566215.db2.gz WDMVXQYWFPEHNU-DOMZBBRYSA-N 1 1 321.377 1.793 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450130 408568964 /nfs/dbraw/zinc/56/89/64/408568964.db2.gz ILUOZQZLESQXEL-ZIAGYGMSSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@H]1CSCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462588 408573777 /nfs/dbraw/zinc/57/37/77/408573777.db2.gz PZPFXNFINAYNEN-NWDGAFQWSA-N 1 1 312.391 1.772 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000161317604 408586628 /nfs/dbraw/zinc/58/66/28/408586628.db2.gz OFPVHTSTMMLHCK-LLVKDONJSA-N 1 1 308.386 1.747 20 5 DDBDMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680758 408634332 /nfs/dbraw/zinc/63/43/32/408634332.db2.gz URCSPOHINMCOLU-AAEUAGOBSA-N 1 1 305.338 1.240 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859337 408711384 /nfs/dbraw/zinc/71/13/84/408711384.db2.gz ZOOOJOXTTRFXPD-LLVKDONJSA-N 1 1 309.370 1.323 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000185006706 408735396 /nfs/dbraw/zinc/73/53/96/408735396.db2.gz SQKNCBFWGJOCIU-OUKQBFOZSA-N 1 1 319.361 1.135 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000248997303 408675603 /nfs/dbraw/zinc/67/56/03/408675603.db2.gz YCBSFIUNHOCDRG-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000249054416 408679143 /nfs/dbraw/zinc/67/91/43/408679143.db2.gz LGBLTSUGWVIAHP-KGLIPLIRSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000249054416 408679147 /nfs/dbraw/zinc/67/91/47/408679147.db2.gz LGBLTSUGWVIAHP-KGLIPLIRSA-N 1 1 310.350 1.445 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185227214 408782480 /nfs/dbraw/zinc/78/24/80/408782480.db2.gz GQPWGAHSFFGNNV-UHFFFAOYSA-N 1 1 313.379 1.310 20 5 DDBDMO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000178213390 408788729 /nfs/dbraw/zinc/78/87/29/408788729.db2.gz RFGNERWACTXVDD-ZDUSSCGKSA-N 1 1 308.382 1.845 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265743478 408766716 /nfs/dbraw/zinc/76/67/16/408766716.db2.gz VKEHSNBRJJWIMK-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265743478 408766723 /nfs/dbraw/zinc/76/67/23/408766723.db2.gz VKEHSNBRJJWIMK-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265743478 408766729 /nfs/dbraw/zinc/76/67/29/408766729.db2.gz VKEHSNBRJJWIMK-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194707721 163294289 /nfs/dbraw/zinc/29/42/89/163294289.db2.gz SWJZDQUOEWHQFA-SNVBAGLBSA-N 1 1 303.322 1.295 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1(CO)CCC1 ZINC000292208721 409001591 /nfs/dbraw/zinc/00/15/91/409001591.db2.gz TUHBQCPEPUJEFM-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000287306787 409016549 /nfs/dbraw/zinc/01/65/49/409016549.db2.gz UNXZXRSNFZCFKW-NHYWBVRUSA-N 1 1 319.361 1.999 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)Cc1ccccc1 ZINC000293143686 409057632 /nfs/dbraw/zinc/05/76/32/409057632.db2.gz BFNMQSCVKOOZNC-AWEZNQCLSA-N 1 1 304.350 1.327 20 5 DDBDMO CC[N@@H+](CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000287693595 409078011 /nfs/dbraw/zinc/07/80/11/409078011.db2.gz DSSRWQHDYVXWAK-UHFFFAOYSA-N 1 1 308.338 1.673 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293315077 409087512 /nfs/dbraw/zinc/08/75/12/409087512.db2.gz FQJOTUBRKVGDKM-FRRDWIJNSA-N 1 1 320.393 1.946 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391112 409204882 /nfs/dbraw/zinc/20/48/82/409204882.db2.gz UHCKQMIWIBKABR-XJKSGUPXSA-N 1 1 324.377 1.835 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408028976 164202588 /nfs/dbraw/zinc/20/25/88/164202588.db2.gz VMODWNOVYOAALR-NWDGAFQWSA-N 1 1 309.370 1.029 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000356903498 409708421 /nfs/dbraw/zinc/70/84/21/409708421.db2.gz PRLJFEMSRQTCBL-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356835250 409645269 /nfs/dbraw/zinc/64/52/69/409645269.db2.gz BLKAMKFRESEIQY-NEPJUHHUSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475248 409661722 /nfs/dbraw/zinc/66/17/22/409661722.db2.gz RNUSOYXKEITLHJ-IUODEOHRSA-N 1 1 318.377 1.162 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000296854719 409669583 /nfs/dbraw/zinc/66/95/83/409669583.db2.gz UMCMRHATTRNQIO-KGLIPLIRSA-N 1 1 317.349 1.380 20 5 DDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000296879113 409683092 /nfs/dbraw/zinc/68/30/92/409683092.db2.gz JCGWUGKOHMWXIK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000296879113 409683119 /nfs/dbraw/zinc/68/31/19/409683119.db2.gz JCGWUGKOHMWXIK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406690 409831396 /nfs/dbraw/zinc/83/13/96/409831396.db2.gz VZSMNDUYQDIFAZ-ONGXEEELSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406690 409831402 /nfs/dbraw/zinc/83/14/02/409831402.db2.gz VZSMNDUYQDIFAZ-ONGXEEELSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406690 409831408 /nfs/dbraw/zinc/83/14/08/409831408.db2.gz VZSMNDUYQDIFAZ-ONGXEEELSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000354419424 409839513 /nfs/dbraw/zinc/83/95/13/409839513.db2.gz XEIXMPSMGDFOJP-ZDUSSCGKSA-N 1 1 323.397 1.562 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000357029293 409806885 /nfs/dbraw/zinc/80/68/85/409806885.db2.gz CSFDTOJKCUYDAP-STQMWFEESA-N 1 1 320.393 1.866 20 5 DDBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](C2CC2)CC1 ZINC000342886104 409974872 /nfs/dbraw/zinc/97/48/72/409974872.db2.gz FUDJWDZNHOVBBS-UHFFFAOYSA-N 1 1 314.345 1.996 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000332394031 410122125 /nfs/dbraw/zinc/12/21/25/410122125.db2.gz WGXIXJWZDAEUKU-HZPDHXFCSA-N 1 1 305.378 1.542 20 5 DDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635838 410125494 /nfs/dbraw/zinc/12/54/94/410125494.db2.gz QKRIXZNWIIQUOB-OLZOCXBDSA-N 1 1 309.366 1.239 20 5 DDBDMO COc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332671545 410203951 /nfs/dbraw/zinc/20/39/51/410203951.db2.gz ZQYJLPVWNKONAF-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000298471481 410246714 /nfs/dbraw/zinc/24/67/14/410246714.db2.gz QOAJQMFIRLYHBB-LBPRGKRZSA-N 1 1 303.362 1.738 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000354980668 410221693 /nfs/dbraw/zinc/22/16/93/410221693.db2.gz MNZCOAMXQSTKQH-UHFFFAOYSA-N 1 1 324.333 1.102 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351774206 410224968 /nfs/dbraw/zinc/22/49/68/410224968.db2.gz KDJOFYZAYGPGDQ-OLUVUFQESA-N 1 1 307.350 1.543 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351774206 410224974 /nfs/dbraw/zinc/22/49/74/410224974.db2.gz KDJOFYZAYGPGDQ-OLUVUFQESA-N 1 1 307.350 1.543 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(CO)CO ZINC000347354425 410493110 /nfs/dbraw/zinc/49/31/10/410493110.db2.gz BEYOAFAPHLXPPP-NTUHNPAUSA-N 1 1 308.378 1.921 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343612228 410570160 /nfs/dbraw/zinc/57/01/60/410570160.db2.gz VNXXGSLPKKRKBI-RISCZKNCSA-N 1 1 306.366 1.877 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000352195719 410538328 /nfs/dbraw/zinc/53/83/28/410538328.db2.gz SVSSYRBWSVTPRG-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000352195719 410538334 /nfs/dbraw/zinc/53/83/34/410538334.db2.gz SVSSYRBWSVTPRG-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000359392863 410635884 /nfs/dbraw/zinc/63/58/84/410635884.db2.gz NWGUNFYVZGFWJQ-ZDUSSCGKSA-N 1 1 321.377 1.601 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000301530275 410737487 /nfs/dbraw/zinc/73/74/87/410737487.db2.gz KWBFAPNDMVVBMY-OLZOCXBDSA-N 1 1 306.366 1.415 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330528757 410751685 /nfs/dbraw/zinc/75/16/85/410751685.db2.gz RSHBESMXNYXOIC-SNVBAGLBSA-N 1 1 313.379 1.409 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000330575468 410791823 /nfs/dbraw/zinc/79/18/23/410791823.db2.gz OGHXAYDOJRRBKF-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000330575468 410791824 /nfs/dbraw/zinc/79/18/24/410791824.db2.gz OGHXAYDOJRRBKF-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000301801013 410799947 /nfs/dbraw/zinc/79/99/47/410799947.db2.gz CDCBZRKHKIKDNX-ZDUSSCGKSA-N 1 1 320.393 1.903 20 5 DDBDMO Cc1nn(C)c(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301884954 410822888 /nfs/dbraw/zinc/82/28/88/410822888.db2.gz ZEUDTZFHPMEKEJ-RYUDHWBXSA-N 1 1 309.370 1.302 20 5 DDBDMO Cc1nn(C)c(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301884954 410822897 /nfs/dbraw/zinc/82/28/97/410822897.db2.gz ZEUDTZFHPMEKEJ-RYUDHWBXSA-N 1 1 309.370 1.302 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302542913 410847824 /nfs/dbraw/zinc/84/78/24/410847824.db2.gz OEKQPLLZGNSEPM-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000330666679 410862624 /nfs/dbraw/zinc/86/26/24/410862624.db2.gz WOZGRMFGWORLDC-BXUZGUMPSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344032849 410907933 /nfs/dbraw/zinc/90/79/33/410907933.db2.gz DXYADTZBPRABOV-FDRIWYBQSA-N 1 1 319.361 1.625 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344240688 411047701 /nfs/dbraw/zinc/04/77/01/411047701.db2.gz QZQIAFGPNFSLST-GFCCVEGCSA-N 1 1 311.313 1.184 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000331430508 411087415 /nfs/dbraw/zinc/08/74/15/411087415.db2.gz CDGQKCSYECETFG-ZWNOBZJWSA-N 1 1 319.361 1.816 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CCOC ZINC000360965900 418555780 /nfs/dbraw/zinc/55/57/80/418555780.db2.gz KJYPWFKBMXKMAR-LBPRGKRZSA-N 1 1 311.386 1.642 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188303953 222010849 /nfs/dbraw/zinc/01/08/49/222010849.db2.gz MWWAEHBMXCZTDL-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188303953 222010852 /nfs/dbraw/zinc/01/08/52/222010852.db2.gz MWWAEHBMXCZTDL-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375011465 418587862 /nfs/dbraw/zinc/58/78/62/418587862.db2.gz FZGIKRQOISLMBE-KBPBESRZSA-N 1 1 308.382 1.930 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194599753 222179312 /nfs/dbraw/zinc/17/93/12/222179312.db2.gz UUVIWUXSZDYOLS-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368231814 418707807 /nfs/dbraw/zinc/70/78/07/418707807.db2.gz YVSRPARRAMNZRF-AAEUAGOBSA-N 1 1 305.334 1.171 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)CC2 ZINC000368119469 418692463 /nfs/dbraw/zinc/69/24/63/418692463.db2.gz LHFFMWSBMRYOFR-UHFFFAOYSA-N 1 1 319.365 1.272 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000371099100 418761594 /nfs/dbraw/zinc/76/15/94/418761594.db2.gz JQZHCGHNHAKMDL-LBPRGKRZSA-N 1 1 310.350 1.951 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000371688060 418809267 /nfs/dbraw/zinc/80/92/67/418809267.db2.gz CLWUJUQLBRZLQK-KBPBESRZSA-N 1 1 324.377 1.429 20 5 DDBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000411227739 418881995 /nfs/dbraw/zinc/88/19/95/418881995.db2.gz LCGFGDVPYOBAIG-UHFFFAOYSA-N 1 1 309.322 1.418 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000411227739 418881998 /nfs/dbraw/zinc/88/19/98/418881998.db2.gz LCGFGDVPYOBAIG-UHFFFAOYSA-N 1 1 309.322 1.418 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000411413826 418901584 /nfs/dbraw/zinc/90/15/84/418901584.db2.gz AONLDTWRLPHYJY-JQWIXIFHSA-N 1 1 323.349 1.387 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000372973148 418918007 /nfs/dbraw/zinc/91/80/07/418918007.db2.gz JCTIBSAUMWBMQP-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411622365 419363960 /nfs/dbraw/zinc/36/39/60/419363960.db2.gz SSPCSOVGJBWALQ-QLFBSQMISA-N 1 1 303.362 1.909 20 5 DDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000421011086 419448007 /nfs/dbraw/zinc/44/80/07/419448007.db2.gz RSQCCCUXZSVORW-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011086 419448014 /nfs/dbraw/zinc/44/80/14/419448014.db2.gz RSQCCCUXZSVORW-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011086 419448018 /nfs/dbraw/zinc/44/80/18/419448018.db2.gz RSQCCCUXZSVORW-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[N@H+](Cc1occc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412024954 419569197 /nfs/dbraw/zinc/56/91/97/419569197.db2.gz GUWXLXFFMFKWEU-CYBMUJFWSA-N 1 1 308.338 1.576 20 5 DDBDMO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCSC1 ZINC000433187812 229169117 /nfs/dbraw/zinc/16/91/17/229169117.db2.gz BKDXTMGVPQYCFE-LLVKDONJSA-N 1 1 314.411 1.672 20 5 DDBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCSC1 ZINC000433187812 229169120 /nfs/dbraw/zinc/16/91/20/229169120.db2.gz BKDXTMGVPQYCFE-LLVKDONJSA-N 1 1 314.411 1.672 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000430280256 420103298 /nfs/dbraw/zinc/10/32/98/420103298.db2.gz VPRBDNVJBDZSLS-OAHLLOKOSA-N 1 1 307.350 1.561 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423969127 420287735 /nfs/dbraw/zinc/28/77/35/420287735.db2.gz LGHAPHDEXPXGER-LBPRGKRZSA-N 1 1 301.306 1.105 20 5 DDBDMO CO[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417024 420378308 /nfs/dbraw/zinc/37/83/08/420378308.db2.gz MCMKCXUHJTZZNE-OCCSQVGLSA-N 1 1 306.366 1.901 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453006097 420700380 /nfs/dbraw/zinc/70/03/80/420700380.db2.gz KXDCVNZLQHSTJW-GXFFZTMASA-N 1 1 305.334 1.380 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650327 420759324 /nfs/dbraw/zinc/75/93/24/420759324.db2.gz MUZFMKZKHFNLKB-SECBINFHSA-N 1 1 305.338 1.285 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448795578 420898263 /nfs/dbraw/zinc/89/82/63/420898263.db2.gz PVCOYSPNGMSOIS-SECBINFHSA-N 1 1 323.324 1.709 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455040381 420961776 /nfs/dbraw/zinc/96/17/76/420961776.db2.gz MHSXUUVWXCKUPX-LLVKDONJSA-N 1 1 307.354 1.360 20 5 DDBDMO CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000487956634 421060234 /nfs/dbraw/zinc/06/02/34/421060234.db2.gz VXQSIRKXGIBNQC-AWEZNQCLSA-N 1 1 308.382 1.029 20 5 DDBDMO Cn1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000494355681 421000553 /nfs/dbraw/zinc/00/05/53/421000553.db2.gz HAPPXZWNNHTNFT-YPMHNXCESA-N 1 1 316.365 1.619 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455818372 421065243 /nfs/dbraw/zinc/06/52/43/421065243.db2.gz AXVIVUMZLSOHMT-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000450397525 421192834 /nfs/dbraw/zinc/19/28/34/421192834.db2.gz VWFKRBWZRARDEF-OCCSQVGLSA-N 1 1 306.366 1.537 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCC[N@@H+]1CCCO)CCN2 ZINC000450591778 421213954 /nfs/dbraw/zinc/21/39/54/421213954.db2.gz GKZLZZNYXYFARS-LBPRGKRZSA-N 1 1 320.393 1.822 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000559840948 421226463 /nfs/dbraw/zinc/22/64/63/421226463.db2.gz DENRHNOBDVWEPG-UHFFFAOYSA-N 1 1 306.366 1.842 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000523352743 421234663 /nfs/dbraw/zinc/23/46/63/421234663.db2.gz QOLCGOQIVFFVKW-UHFFFAOYSA-N 1 1 323.397 1.819 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000523352743 421234664 /nfs/dbraw/zinc/23/46/64/421234664.db2.gz QOLCGOQIVFFVKW-UHFFFAOYSA-N 1 1 323.397 1.819 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000523352743 421234668 /nfs/dbraw/zinc/23/46/68/421234668.db2.gz QOLCGOQIVFFVKW-UHFFFAOYSA-N 1 1 323.397 1.819 20 5 DDBDMO CC(C)[N@H+](Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782934 421301345 /nfs/dbraw/zinc/30/13/45/421301345.db2.gz HBGSRULPXSNCLH-OAHLLOKOSA-N 1 1 319.365 1.458 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000524719958 421266171 /nfs/dbraw/zinc/26/61/71/421266171.db2.gz RQFZKPPPLZPECW-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000547838439 421372233 /nfs/dbraw/zinc/37/22/33/421372233.db2.gz OEKIVMKVDMUITO-GFCCVEGCSA-N 1 1 315.333 1.245 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000547838439 421372237 /nfs/dbraw/zinc/37/22/37/421372237.db2.gz OEKIVMKVDMUITO-GFCCVEGCSA-N 1 1 315.333 1.245 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000547838440 421372517 /nfs/dbraw/zinc/37/25/17/421372517.db2.gz OEKIVMKVDMUITO-LBPRGKRZSA-N 1 1 315.333 1.245 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000547838440 421372519 /nfs/dbraw/zinc/37/25/19/421372519.db2.gz OEKIVMKVDMUITO-LBPRGKRZSA-N 1 1 315.333 1.245 20 5 DDBDMO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000548058505 421394659 /nfs/dbraw/zinc/39/46/59/421394659.db2.gz RIADYHQBPWQEQU-MNOVXSKESA-N 1 1 321.381 1.422 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000562916497 421425726 /nfs/dbraw/zinc/42/57/26/421425726.db2.gz IKTMQUINZQFZBY-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000549189193 421496662 /nfs/dbraw/zinc/49/66/62/421496662.db2.gz BEUGNSLVFWJYBU-GHMZBOCLSA-N 1 1 321.381 1.701 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000553319371 421611248 /nfs/dbraw/zinc/61/12/48/421611248.db2.gz HRIDKLDPXNBZDY-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000553319371 421611250 /nfs/dbraw/zinc/61/12/50/421611250.db2.gz HRIDKLDPXNBZDY-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000554856889 421664262 /nfs/dbraw/zinc/66/42/62/421664262.db2.gz DFJDJLAHFOSSTR-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000537814636 421736033 /nfs/dbraw/zinc/73/60/33/421736033.db2.gz FXYBWTMIMGMJGL-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@@H+]1C ZINC000537814636 421736035 /nfs/dbraw/zinc/73/60/35/421736035.db2.gz FXYBWTMIMGMJGL-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000557572543 421777848 /nfs/dbraw/zinc/77/78/48/421777848.db2.gz WHMFRNVJGNVYKA-NSHDSACASA-N 1 1 322.365 1.839 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345328976 272220681 /nfs/dbraw/zinc/22/06/81/272220681.db2.gz VEJKXJXFHXAEQJ-VXGBXAGGSA-N 1 1 306.366 1.606 20 5 DDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000345901802 272362431 /nfs/dbraw/zinc/36/24/31/272362431.db2.gz HYEOVJBUCXZQFD-UWVGGRQHSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000345901802 272362433 /nfs/dbraw/zinc/36/24/33/272362433.db2.gz HYEOVJBUCXZQFD-UWVGGRQHSA-N 1 1 309.370 1.191 20 5 DDBDMO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCOCC1 ZINC000278408429 274226157 /nfs/dbraw/zinc/22/61/57/274226157.db2.gz HIVUUXJNEWLTLW-NSHDSACASA-N 1 1 319.365 1.851 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275387156 274270574 /nfs/dbraw/zinc/27/05/74/274270574.db2.gz PYSWOEPDMHWHBM-NWDGAFQWSA-N 1 1 320.393 1.454 20 5 DDBDMO O=C1OCC[C@@H]1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000177648984 275026844 /nfs/dbraw/zinc/02/68/44/275026844.db2.gz LCEYIQPJKZTMJK-ZDUSSCGKSA-N 1 1 319.361 1.670 20 5 DDBDMO CCC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000271012837 276049707 /nfs/dbraw/zinc/04/97/07/276049707.db2.gz YBJDBGUUMFVXLC-ZDUSSCGKSA-N 1 1 308.382 1.927 20 5 DDBDMO CC[N@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276952237 276165314 /nfs/dbraw/zinc/16/53/14/276165314.db2.gz VPWGNPHLIMSLBC-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO COC(=O)[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413492091 277134873 /nfs/dbraw/zinc/13/48/73/277134873.db2.gz CBLBCJWBCQDFEQ-JTQLQIEISA-N 1 1 311.313 1.275 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000420432279 280654719 /nfs/dbraw/zinc/65/47/19/280654719.db2.gz XVCSQJZBZUFPIR-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933163 281029765 /nfs/dbraw/zinc/02/97/65/281029765.db2.gz DLNGUECRMIZDCE-CHWSQXEVSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933163 281029768 /nfs/dbraw/zinc/02/97/68/281029768.db2.gz DLNGUECRMIZDCE-CHWSQXEVSA-N 1 1 321.377 1.650 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359357 301171628 /nfs/dbraw/zinc/17/16/28/301171628.db2.gz QQASQGKDBBISRB-INIZCTEOSA-N 1 1 318.421 1.807 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369677875 301211177 /nfs/dbraw/zinc/21/11/77/301211177.db2.gz ZKUYRDAOHXXDFU-GXTWGEPZSA-N 1 1 305.334 1.305 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000369998244 301254898 /nfs/dbraw/zinc/25/48/98/301254898.db2.gz QRCPFOHZFWNPPX-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000369998244 301254900 /nfs/dbraw/zinc/25/49/00/301254900.db2.gz QRCPFOHZFWNPPX-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000369998244 301254901 /nfs/dbraw/zinc/25/49/01/301254901.db2.gz QRCPFOHZFWNPPX-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000370166709 301286894 /nfs/dbraw/zinc/28/68/94/301286894.db2.gz ZQLKEXBMJOHHLD-MWLCHTKSSA-N 1 1 307.354 1.094 20 5 DDBDMO CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1c1ccccc1Cl ZINC000377123227 302145924 /nfs/dbraw/zinc/14/59/24/302145924.db2.gz OPKBEFNHOBRNLD-BNOWGMLFSA-N 1 1 323.780 1.820 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377362859 302172595 /nfs/dbraw/zinc/17/25/95/302172595.db2.gz QSSHTEFZDMSRPO-UWVGGRQHSA-N 1 1 305.338 1.127 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532078038 303274782 /nfs/dbraw/zinc/27/47/82/303274782.db2.gz IJQDDULYVBYBNF-YGRLFVJLSA-N 1 1 318.377 1.849 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143600 303277329 /nfs/dbraw/zinc/27/73/29/303277329.db2.gz OGTGLKPBWZWONW-GFCCVEGCSA-N 1 1 306.366 1.984 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000534338946 303332096 /nfs/dbraw/zinc/33/20/96/303332096.db2.gz GVUNNXQILANMBS-VXGBXAGGSA-N 1 1 321.377 1.697 20 5 DDBDMO Cc1nn(C)c(N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000364008620 307039698 /nfs/dbraw/zinc/03/96/98/307039698.db2.gz IBIXMTBRFYSZSB-NSHDSACASA-N 1 1 311.411 1.264 20 5 DDBDMO CNC(=O)c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371475743 307150956 /nfs/dbraw/zinc/15/09/56/307150956.db2.gz NAKGMBWBSPQFIF-ZDUSSCGKSA-N 1 1 318.377 1.629 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)n1 ZINC000375965524 307236491 /nfs/dbraw/zinc/23/64/91/307236491.db2.gz YBOCJQKLDCDFIX-HNNXBMFYSA-N 1 1 320.324 1.524 20 5 DDBDMO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452378487 534607152 /nfs/dbraw/zinc/60/71/52/534607152.db2.gz WZIRVILBGOEHHK-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451300863 534886803 /nfs/dbraw/zinc/88/68/03/534886803.db2.gz MREMEGJMKQVKRJ-SQWLQELKSA-N 1 1 306.362 1.957 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330990985 529096226 /nfs/dbraw/zinc/09/62/26/529096226.db2.gz AUQMGFJLBIYUPT-LBPRGKRZSA-N 1 1 323.397 1.469 20 5 DDBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296651363 529145241 /nfs/dbraw/zinc/14/52/41/529145241.db2.gz XKKMJGHPTBWHOX-UHFFFAOYSA-N 1 1 308.386 1.133 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCOCC1 ZINC000748495574 700121984 /nfs/dbraw/zinc/12/19/84/700121984.db2.gz SXWCNHGSDDHKSX-QPJJXVBHSA-N 1 1 320.345 1.874 20 5 DDBDMO Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000981137827 697015744 /nfs/dbraw/zinc/01/57/44/697015744.db2.gz GWFYQZZXAVJPPP-ZIAGYGMSSA-N 1 1 323.418 1.756 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653187 697286576 /nfs/dbraw/zinc/28/65/76/697286576.db2.gz HKBPJCYDFVOEKY-NMFUWQPSSA-N 1 1 321.352 1.475 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000178776411 697428775 /nfs/dbraw/zinc/42/87/75/697428775.db2.gz FIHTXOUJZPHTFF-LBPRGKRZSA-N 1 1 318.333 1.930 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678497 700176264 /nfs/dbraw/zinc/17/62/64/700176264.db2.gz SRUWIYVQWAKQAH-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678497 700176265 /nfs/dbraw/zinc/17/62/65/700176265.db2.gz SRUWIYVQWAKQAH-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(O)(C(C)C)C1 ZINC000773891719 697819263 /nfs/dbraw/zinc/81/92/63/697819263.db2.gz AEQSTORWLPKUEH-UHFFFAOYSA-N 1 1 321.377 1.935 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594043 698125060 /nfs/dbraw/zinc/12/50/60/698125060.db2.gz RZAKMXGHKGMOAD-CZUORRHYSA-N 1 1 321.377 1.428 20 5 DDBDMO C[N@@H+](CCCn1ccnc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600683 698126018 /nfs/dbraw/zinc/12/60/18/698126018.db2.gz DNVQNBLFLNBELW-OAHLLOKOSA-N 1 1 304.350 1.847 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262073041 698453275 /nfs/dbraw/zinc/45/32/75/698453275.db2.gz CVDHYRHUPSMAMV-LLCTXKFZSA-N 1 1 316.405 1.588 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000782633747 698755450 /nfs/dbraw/zinc/75/54/50/698755450.db2.gz QCPMKODWIWVCLM-ABAIWWIYSA-N 1 1 305.334 1.238 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786846002 699172745 /nfs/dbraw/zinc/17/27/45/699172745.db2.gz SIUALXVJNHTJGZ-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccncc2[N+](=O)[O-])cn1 ZINC000727430925 699411949 /nfs/dbraw/zinc/41/19/49/699411949.db2.gz GXTMMJBNQCVNIH-UHFFFAOYSA-N 1 1 310.317 1.913 20 5 DDBDMO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CC1 ZINC000790533074 699465630 /nfs/dbraw/zinc/46/56/30/699465630.db2.gz JLZRTUIPDDUMDO-ZANVPECISA-N 1 1 318.337 1.300 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000734484599 699652799 /nfs/dbraw/zinc/65/27/99/699652799.db2.gz ARAGIMNWYGUZJJ-SNVBAGLBSA-N 1 1 305.338 1.909 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744798669 699961333 /nfs/dbraw/zinc/96/13/33/699961333.db2.gz MRSVODITQNWBTA-JTQLQIEISA-N 1 1 322.321 1.575 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000751952091 700329791 /nfs/dbraw/zinc/32/97/91/700329791.db2.gz VIDYXYAQIVPXOG-CYBMUJFWSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000751952091 700329795 /nfs/dbraw/zinc/32/97/95/700329795.db2.gz VIDYXYAQIVPXOG-CYBMUJFWSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801886758 700350781 /nfs/dbraw/zinc/35/07/81/700350781.db2.gz FMOWRJFEIVLXAY-SECBINFHSA-N 1 1 310.329 1.388 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803519 700389041 /nfs/dbraw/zinc/38/90/41/700389041.db2.gz JNMLIZQRTPCRKH-JQWIXIFHSA-N 1 1 319.365 1.841 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876568 700951619 /nfs/dbraw/zinc/95/16/19/700951619.db2.gz UYGFDXFLXQIWBJ-CABCVRRESA-N 1 1 312.366 1.346 20 5 DDBDMO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000764533694 700975754 /nfs/dbraw/zinc/97/57/54/700975754.db2.gz UZZABKRIASLZLI-UHFFFAOYSA-N 1 1 321.381 1.845 20 5 DDBDMO CNc1c(C(=O)OCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000765517087 701017573 /nfs/dbraw/zinc/01/75/73/701017573.db2.gz UWZAMJIWZUZGHJ-UHFFFAOYSA-N 1 1 323.349 1.516 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000771407593 701318969 /nfs/dbraw/zinc/31/89/69/701318969.db2.gz RRVCBVIPLPVKEN-VXGBXAGGSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000771407593 701318971 /nfs/dbraw/zinc/31/89/71/701318971.db2.gz RRVCBVIPLPVKEN-VXGBXAGGSA-N 1 1 320.393 1.825 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C(C)(C)CC2)n1 ZINC000866112505 706621781 /nfs/dbraw/zinc/62/17/81/706621781.db2.gz DFEMEJPFSACCPE-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840094781 701966230 /nfs/dbraw/zinc/96/62/30/701966230.db2.gz WZONBSPLDVPLMN-ZDUSSCGKSA-N 1 1 303.366 1.928 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812337763 702161655 /nfs/dbraw/zinc/16/16/55/702161655.db2.gz HROWJSSSSTVGRM-WDEREUQCSA-N 1 1 321.381 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812337763 702161658 /nfs/dbraw/zinc/16/16/58/702161658.db2.gz HROWJSSSSTVGRM-WDEREUQCSA-N 1 1 321.381 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812337763 702161661 /nfs/dbraw/zinc/16/16/61/702161661.db2.gz HROWJSSSSTVGRM-WDEREUQCSA-N 1 1 321.381 1.465 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320874 706649102 /nfs/dbraw/zinc/64/91/02/706649102.db2.gz JSHBEQYEORECAY-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000817151530 702290999 /nfs/dbraw/zinc/29/09/99/702290999.db2.gz SVKOOZSOFVUZIF-SECBINFHSA-N 1 1 319.408 1.371 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000842829382 702780888 /nfs/dbraw/zinc/78/08/88/702780888.db2.gz HNSAFYVJSPCOQQ-NSHDSACASA-N 1 1 310.354 1.606 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000844334204 703016860 /nfs/dbraw/zinc/01/68/60/703016860.db2.gz VHKHQAVCPNLAGO-CYBMUJFWSA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000844334204 703016862 /nfs/dbraw/zinc/01/68/62/703016862.db2.gz VHKHQAVCPNLAGO-CYBMUJFWSA-N 1 1 308.334 1.727 20 5 DDBDMO C[C@@H]1C[C@@H]1C(N)=[NH+]O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000848518513 703560317 /nfs/dbraw/zinc/56/03/17/703560317.db2.gz KRVCARVVVUYWBQ-ICCXJUOJSA-N 1 1 318.333 1.855 20 5 DDBDMO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979996 704041611 /nfs/dbraw/zinc/04/16/11/704041611.db2.gz FNOSITSFMQDNHV-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979996 704041614 /nfs/dbraw/zinc/04/16/14/704041614.db2.gz FNOSITSFMQDNHV-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819176515 704081608 /nfs/dbraw/zinc/08/16/08/704081608.db2.gz FCIVOQBBWVMQDM-BMIGLBTASA-N 1 1 304.350 1.881 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819899971 704183989 /nfs/dbraw/zinc/18/39/89/704183989.db2.gz XHNWPXRVCYZIKE-SNVBAGLBSA-N 1 1 308.338 1.084 20 5 DDBDMO COc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000853451250 704241383 /nfs/dbraw/zinc/24/13/83/704241383.db2.gz DMFVDIKZEJMHAE-ZDUSSCGKSA-N 1 1 321.377 1.823 20 5 DDBDMO CN1CC(C[N@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000853552565 704266714 /nfs/dbraw/zinc/26/67/14/704266714.db2.gz BATOKRXOBATNAK-UHFFFAOYSA-N 1 1 315.377 1.909 20 5 DDBDMO CN1CC(C[N@@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000853552565 704266718 /nfs/dbraw/zinc/26/67/18/704266718.db2.gz BATOKRXOBATNAK-UHFFFAOYSA-N 1 1 315.377 1.909 20 5 DDBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000853708150 704302708 /nfs/dbraw/zinc/30/27/08/704302708.db2.gz GIBFDMPUOMKXEF-LLVKDONJSA-N 1 1 313.304 1.788 20 5 DDBDMO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000853708150 704302711 /nfs/dbraw/zinc/30/27/11/704302711.db2.gz GIBFDMPUOMKXEF-LLVKDONJSA-N 1 1 313.304 1.788 20 5 DDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853774243 704314084 /nfs/dbraw/zinc/31/40/84/704314084.db2.gz QHKRRLYCNRNNDD-LBPRGKRZSA-N 1 1 309.414 1.861 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853774243 704314085 /nfs/dbraw/zinc/31/40/85/704314085.db2.gz QHKRRLYCNRNNDD-LBPRGKRZSA-N 1 1 309.414 1.861 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000854986831 704465219 /nfs/dbraw/zinc/46/52/19/704465219.db2.gz CLDCPUFEOHOUFU-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284600 704477233 /nfs/dbraw/zinc/47/72/33/704477233.db2.gz WDBKTWSLNQZIFM-JSGCOSHPSA-N 1 1 321.377 1.617 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CCCF)CC1 ZINC000858599269 704732970 /nfs/dbraw/zinc/73/29/70/704732970.db2.gz LSIBWBKLHMARCW-UHFFFAOYSA-N 1 1 312.301 1.985 20 5 DDBDMO COc1cc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000858811919 704760742 /nfs/dbraw/zinc/76/07/42/704760742.db2.gz IQFKEUJNFMSMOL-SNVBAGLBSA-N 1 1 311.338 1.091 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000822568763 704976878 /nfs/dbraw/zinc/97/68/78/704976878.db2.gz HZMHUUJOONQETQ-LLVKDONJSA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161402 705119773 /nfs/dbraw/zinc/11/97/73/705119773.db2.gz XZMROFUHIQGYGJ-GIPNMCIBSA-N 1 1 319.317 1.027 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161402 705119774 /nfs/dbraw/zinc/11/97/74/705119774.db2.gz XZMROFUHIQGYGJ-GIPNMCIBSA-N 1 1 319.317 1.027 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176995 705124122 /nfs/dbraw/zinc/12/41/22/705124122.db2.gz LFPMQRHCWIYUGN-JKSUJKDBSA-N 1 1 321.377 1.619 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874827844 705186013 /nfs/dbraw/zinc/18/60/13/705186013.db2.gz DULZTCRMSKXMSF-CHWSQXEVSA-N 1 1 319.361 1.912 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874830011 705188461 /nfs/dbraw/zinc/18/84/61/705188461.db2.gz PRIKSHOALVPETQ-NWDGAFQWSA-N 1 1 319.365 1.340 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874833540 705191355 /nfs/dbraw/zinc/19/13/55/705191355.db2.gz LUCXSJHPRPNANT-QWHCGFSZSA-N 1 1 318.377 1.945 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874833536 705191486 /nfs/dbraw/zinc/19/14/86/705191486.db2.gz LUCXSJHPRPNANT-CHWSQXEVSA-N 1 1 318.377 1.945 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830352 705735477 /nfs/dbraw/zinc/73/54/77/705735477.db2.gz KNQHOVDEIUKUMP-GJZGRUSLSA-N 1 1 321.377 1.619 20 5 DDBDMO CCN1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876989401 705950023 /nfs/dbraw/zinc/95/00/23/705950023.db2.gz XZAWGYNAPMGDJC-IYXRBSQSSA-N 1 1 307.398 1.816 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000827339436 705980105 /nfs/dbraw/zinc/98/01/05/705980105.db2.gz TUPMZCUBSQPLLA-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626284 706039624 /nfs/dbraw/zinc/03/96/24/706039624.db2.gz VHAHOYQPYMMQOU-KKUMJFAQSA-N 1 1 303.362 1.909 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877835759 706227003 /nfs/dbraw/zinc/22/70/03/706227003.db2.gz WTWVTRIQRFQZJO-LBPRGKRZSA-N 1 1 322.361 1.959 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H](C(F)(F)F)O1 ZINC000880059587 706866569 /nfs/dbraw/zinc/86/65/69/706866569.db2.gz JKGZKGXQDKMUFS-GXSJLCMTSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H](C(F)(F)F)O1 ZINC000880059587 706866571 /nfs/dbraw/zinc/86/65/71/706866571.db2.gz JKGZKGXQDKMUFS-GXSJLCMTSA-N 1 1 322.287 1.833 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000880313053 706938114 /nfs/dbraw/zinc/93/81/14/706938114.db2.gz FGYWAJWAGAXSQH-GASCZTMLSA-N 1 1 303.362 1.813 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425590 706970491 /nfs/dbraw/zinc/97/04/91/706970491.db2.gz GHGPZRGPWFLYBM-SWLSCSKDSA-N 1 1 310.350 1.709 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832955077 706998306 /nfs/dbraw/zinc/99/83/06/706998306.db2.gz ZHVXLQBETNKYLX-IUODEOHRSA-N 1 1 323.393 1.865 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000834310209 707027710 /nfs/dbraw/zinc/02/77/10/707027710.db2.gz GYFZQHORCKKGJX-MFKMUULPSA-N 1 1 304.350 1.262 20 5 DDBDMO CC(C)(CCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)[N+](=O)[O-] ZINC000834591781 707090601 /nfs/dbraw/zinc/09/06/01/707090601.db2.gz DMTSSYMXDJAHGX-NWDGAFQWSA-N 1 1 301.362 1.467 20 5 DDBDMO Nc1c(F)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221449 708259173 /nfs/dbraw/zinc/25/91/73/708259173.db2.gz NBLFYSJHYRECOP-QWRGUYRKSA-N 1 1 324.356 1.352 20 5 DDBDMO CC1([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)OCCO1 ZINC000886125269 708702131 /nfs/dbraw/zinc/70/21/31/708702131.db2.gz MUXMJKGTYSRWGA-CYBMUJFWSA-N 1 1 307.350 1.965 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448249 713201012 /nfs/dbraw/zinc/20/10/12/713201012.db2.gz NDLDEHRKIAFMMD-CMPLNLGQSA-N 1 1 309.370 1.007 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928453565 713203975 /nfs/dbraw/zinc/20/39/75/713203975.db2.gz OWSUDWXEZYAJAP-NWDGAFQWSA-N 1 1 306.366 1.606 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941490 710893756 /nfs/dbraw/zinc/89/37/56/710893756.db2.gz SDWBHYGDQJPRLP-RISCZKNCSA-N 1 1 304.350 1.095 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000928573537 713234482 /nfs/dbraw/zinc/23/44/82/713234482.db2.gz QSXPSLVVJKOUQT-ZDUSSCGKSA-N 1 1 318.377 1.629 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000928573537 713234484 /nfs/dbraw/zinc/23/44/84/713234484.db2.gz QSXPSLVVJKOUQT-ZDUSSCGKSA-N 1 1 318.377 1.629 20 5 DDBDMO Cc1c(C[C@@H](C[NH3+])CNCc2ccccc2[N+](=O)[O-])cnn1C ZINC000903923043 711333568 /nfs/dbraw/zinc/33/35/68/711333568.db2.gz KEAUCNJMOZUWQC-ZDUSSCGKSA-N 1 1 317.393 1.544 20 5 DDBDMO COc1c(O)ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000895537972 711536921 /nfs/dbraw/zinc/53/69/21/711536921.db2.gz XCQGAMHEUZYUSO-NSHDSACASA-N 1 1 323.349 1.362 20 5 DDBDMO COc1c(O)ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000895537972 711536922 /nfs/dbraw/zinc/53/69/22/711536922.db2.gz XCQGAMHEUZYUSO-NSHDSACASA-N 1 1 323.349 1.362 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895847775 711623865 /nfs/dbraw/zinc/62/38/65/711623865.db2.gz FCPWEMFMAVFDNS-LLVKDONJSA-N 1 1 310.350 1.902 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895847775 711623866 /nfs/dbraw/zinc/62/38/66/711623866.db2.gz FCPWEMFMAVFDNS-LLVKDONJSA-N 1 1 310.350 1.902 20 5 DDBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896572425 711755690 /nfs/dbraw/zinc/75/56/90/711755690.db2.gz VBLUSBVZIRDZTC-KOLCDFICSA-N 1 1 312.395 1.020 20 5 DDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)c(Cl)c1 ZINC000905203302 711967283 /nfs/dbraw/zinc/96/72/83/711967283.db2.gz QXYJWRWPWNUMPF-LLVKDONJSA-N 1 1 318.160 1.965 20 5 DDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000905229262 711974967 /nfs/dbraw/zinc/97/49/67/711974967.db2.gz LTXNXPPUBDCHSR-ZDUSSCGKSA-N 1 1 313.304 1.322 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cn(CC[C@@H]2CCCC[N@H+]2C)c1=O ZINC000915668714 713426947 /nfs/dbraw/zinc/42/69/47/713426947.db2.gz NHFOPRSWHOJENO-NSHDSACASA-N 1 1 323.349 1.418 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCO[C@H]3CCOC3)C2)nc1 ZINC000929988910 713729930 /nfs/dbraw/zinc/72/99/30/713729930.db2.gz OOYWMASFHLUNNZ-JSGCOSHPSA-N 1 1 322.365 1.282 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930100058 713756107 /nfs/dbraw/zinc/75/61/07/713756107.db2.gz QDKGLUFLPGOQJR-CYBMUJFWSA-N 1 1 304.346 1.901 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCC3(COC3)O1)C2 ZINC000930100058 713756110 /nfs/dbraw/zinc/75/61/10/713756110.db2.gz QDKGLUFLPGOQJR-CYBMUJFWSA-N 1 1 304.346 1.901 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)C2(O)CCC2)C2CC2)cc1 ZINC000930140857 713765568 /nfs/dbraw/zinc/76/55/68/713765568.db2.gz IQDJXXRJWNZPNY-HNNXBMFYSA-N 1 1 306.362 1.835 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000930234498 713783046 /nfs/dbraw/zinc/78/30/46/713783046.db2.gz CGMSSZULCKLVAX-LBPRGKRZSA-N 1 1 321.377 1.883 20 5 DDBDMO C/C(=C/C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982050 714714671 /nfs/dbraw/zinc/71/46/71/714714671.db2.gz OPLBNAWKSQZRGY-GYZFRLQBSA-N 1 1 319.361 1.179 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000934003572 714720425 /nfs/dbraw/zinc/72/04/25/714720425.db2.gz ATOMTWBNGFQMHM-AWEZNQCLSA-N 1 1 306.322 1.410 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429752 715053244 /nfs/dbraw/zinc/05/32/44/715053244.db2.gz FJEUQCISPZCDKZ-HUUCEWRRSA-N 1 1 321.377 1.129 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001164674827 719426718 /nfs/dbraw/zinc/42/67/18/719426718.db2.gz XOBFLWRFKXMHKS-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1C[C@@]23CN(c4cc(N)c([N+](=O)[O-])cn4)C[C@]2(C1)CCCC3 ZINC001120900034 782220880 /nfs/dbraw/zinc/22/08/80/782220880.db2.gz MBUXNNPHLYIBTR-IYBDPMFKSA-N 1 1 317.393 1.884 20 5 DDBDMO Cc1[nH+]ccn1-c1ncccc1CNc1c([N+](=O)[O-])cnn1C ZINC001185969842 744322542 /nfs/dbraw/zinc/32/25/42/744322542.db2.gz RJQXYCIQVQXZCT-UHFFFAOYSA-N 1 1 313.321 1.830 20 5 DDBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001197787331 747264526 /nfs/dbraw/zinc/26/45/26/747264526.db2.gz UDZCFTPCBUNPGE-LLVKDONJSA-N 1 1 317.349 1.174 20 5 DDBDMO O=C(CCc1cnc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128992212 750750059 /nfs/dbraw/zinc/75/00/59/750750059.db2.gz URGYFVLDTKCMOH-UHFFFAOYSA-N 1 1 317.349 1.157 20 5 DDBDMO O=C(C1CCC1)N1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169028400 762185857 /nfs/dbraw/zinc/18/58/57/762185857.db2.gz RXQPQMCMDXHHPY-UKRRQHHQSA-N 1 1 309.410 1.766 20 5 DDBDMO CCOC(=O)N1CCC([N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038630 762193515 /nfs/dbraw/zinc/19/35/15/762193515.db2.gz JMBWXFDHYSRBNK-JSGCOSHPSA-N 1 1 313.398 1.985 20 5 DDBDMO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023551 762200590 /nfs/dbraw/zinc/20/05/90/762200590.db2.gz OYWUCPYYTJYXPR-IPVBOJNNSA-N 1 1 321.421 1.668 20 5 DDBDMO CCn1ncc2c1[C@H](COC)C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025070 762202436 /nfs/dbraw/zinc/20/24/36/762202436.db2.gz XNEIHPOAOMUOIM-QEJZJMRPSA-N 1 1 322.409 1.894 20 5 DDBDMO COc1cnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054637 762209940 /nfs/dbraw/zinc/20/99/40/762209940.db2.gz NBNGEQKJJFLVTF-RWMBFGLXSA-N 1 1 322.365 1.384 20 5 DDBDMO Cc1cnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057628 762211245 /nfs/dbraw/zinc/21/12/45/762211245.db2.gz WKJXUXIZWWHSSM-MELADBBJSA-N 1 1 306.366 1.684 20 5 DDBDMO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138853 760612448 /nfs/dbraw/zinc/61/24/48/760612448.db2.gz DXWJECGVSSMYCO-IXYNUQLISA-N 1 1 317.389 1.705 20 5 DDBDMO O=C(NC1(C2CC[NH+](CCCF)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000153796 761545123 /nfs/dbraw/zinc/54/51/23/761545123.db2.gz LLBBLCXLGGYOLN-CHWSQXEVSA-N 1 1 313.373 1.372 20 5 DDBDMO CCc1ccoc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001133401284 769778586 /nfs/dbraw/zinc/77/85/86/769778586.db2.gz CQKIXCYPMOFUAO-UHFFFAOYSA-N 1 1 321.337 1.003 20 5 DDBDMO Cc1cc(N[C@@H](N)CCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159788948 771928926 /nfs/dbraw/zinc/92/89/26/771928926.db2.gz NTHAHZVOWMKITB-CYBMUJFWSA-N 1 1 316.365 1.218 20 5 DDBDMO Cc1nc(NCCNC(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001093674109 774989469 /nfs/dbraw/zinc/98/94/69/774989469.db2.gz PCWPPTKOQOPXMJ-UHFFFAOYSA-N 1 1 309.370 1.167 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093840701 775125284 /nfs/dbraw/zinc/12/52/84/775125284.db2.gz QQXAOYPOSVYUHX-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO COC(=O)c1c(C)c([N+](=O)[O-])ccc1Nc1nccnc1C[NH3+] ZINC001171448645 776044880 /nfs/dbraw/zinc/04/48/80/776044880.db2.gz KLMCBOPNXXLLOW-UHFFFAOYSA-N 1 1 317.305 1.682 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001173222733 777055805 /nfs/dbraw/zinc/05/58/05/777055805.db2.gz UZRGCJRGYOHNDL-UHOFOFEASA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CCOCC2)C1 ZINC001173226010 777061093 /nfs/dbraw/zinc/06/10/93/777061093.db2.gz HANDUNPKAHJSIX-ZDUSSCGKSA-N 1 1 305.378 1.542 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101657646 777352388 /nfs/dbraw/zinc/35/23/88/777352388.db2.gz IXAAOXAVAAMJCZ-UHFFFAOYSA-N 1 1 309.370 1.200 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC001101705434 777415153 /nfs/dbraw/zinc/41/51/53/777415153.db2.gz GNHJOBNPKHEVJU-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@]2(CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001177002705 778384641 /nfs/dbraw/zinc/38/46/41/778384641.db2.gz NANAJQFFHDCPQP-OAHLLOKOSA-N 1 1 319.317 1.172 20 5 DDBDMO O=C(C[N@H+]1CC[C@@]2(CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001177002705 778384645 /nfs/dbraw/zinc/38/46/45/778384645.db2.gz NANAJQFFHDCPQP-OAHLLOKOSA-N 1 1 319.317 1.172 20 5 DDBDMO Cc1[nH+]ccn1CCCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001116432679 780508619 /nfs/dbraw/zinc/50/86/19/780508619.db2.gz INOTVVBFNNATNK-UHFFFAOYSA-N 1 1 321.293 1.650 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491569 780515084 /nfs/dbraw/zinc/51/50/84/780515084.db2.gz UITGZBNXQJEUAI-FZMZJTMJSA-N 1 1 307.350 1.216 20 5 DDBDMO C[N@H+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC001119330575 781406608 /nfs/dbraw/zinc/40/66/08/781406608.db2.gz IEOBABOLHWDNPI-UHFFFAOYSA-N 1 1 320.349 1.486 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267194394 837510180 /nfs/dbraw/zinc/51/01/80/837510180.db2.gz OJSNNIBZAXCLSG-ZIAGYGMSSA-N 1 1 309.341 1.369 20 5 DDBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267194394 837510186 /nfs/dbraw/zinc/51/01/86/837510186.db2.gz OJSNNIBZAXCLSG-ZIAGYGMSSA-N 1 1 309.341 1.369 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267194394 837510192 /nfs/dbraw/zinc/51/01/92/837510192.db2.gz OJSNNIBZAXCLSG-ZIAGYGMSSA-N 1 1 309.341 1.369 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001326394346 861329248 /nfs/dbraw/zinc/32/92/48/861329248.db2.gz OBMWYYIXQOYYFC-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC001328498509 863008989 /nfs/dbraw/zinc/00/89/89/863008989.db2.gz CFNDFCMMUODFCL-NSHDSACASA-N 1 1 306.366 1.700 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001121758236 858587605 /nfs/dbraw/zinc/58/76/05/858587605.db2.gz JORLVQZLRCMFNI-UHFFFAOYSA-N 1 1 310.402 1.038 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C[N+](=O)[O-])n2CC)C1 ZINC001121792139 858598085 /nfs/dbraw/zinc/59/80/85/858598085.db2.gz RJXUXUHEOBNEKH-LBPRGKRZSA-N 1 1 310.402 1.243 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC1CCCC1 ZINC001122844504 858984432 /nfs/dbraw/zinc/98/44/32/858984432.db2.gz BKGBGMLWSNHMAB-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975901 859506485 /nfs/dbraw/zinc/50/64/85/859506485.db2.gz GUSQVLAMRAVGBN-ZOWXZIJZSA-N 1 1 318.377 1.160 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141649552 860901826 /nfs/dbraw/zinc/90/18/26/860901826.db2.gz QGWCZLYURWZTLP-SNVBAGLBSA-N 1 1 309.370 1.422 20 5 DDBDMO O=C(NCCC[NH2+]Cc1cnc(Cl)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001157760622 864110561 /nfs/dbraw/zinc/11/05/61/864110561.db2.gz FUJPOEOLHUPZFL-RKDXNWHRSA-N 1 1 318.786 1.058 20 5 DDBDMO CN(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761637 864111169 /nfs/dbraw/zinc/11/11/69/864111169.db2.gz VOGXTVFTVZLIKU-UKRRQHHQSA-N 1 1 320.393 1.014 20 5 DDBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cn2nccc2[N+](=O)[O-])cn1 ZINC001331057917 864810734 /nfs/dbraw/zinc/81/07/34/864810734.db2.gz JQSYSCPCUCPTKZ-QXMXGUDHSA-N 1 1 316.365 1.893 20 5 DDBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cn2nccc2[N+](=O)[O-])cn1 ZINC001331057917 864810752 /nfs/dbraw/zinc/81/07/52/864810752.db2.gz JQSYSCPCUCPTKZ-QXMXGUDHSA-N 1 1 316.365 1.893 20 5 DDBDMO COc1nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001160465491 865861110 /nfs/dbraw/zinc/86/11/10/865861110.db2.gz IVXKYQFTBJCHLI-RTCCRHLQSA-N 1 1 307.354 1.821 20 5 DDBDMO Nc1cc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160724734 866073816 /nfs/dbraw/zinc/07/38/16/866073816.db2.gz MPNNEKLYBHRDQP-VXGBXAGGSA-N 1 1 307.354 1.237 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC([NH2+]C2COC2)C1 ZINC001164220475 869031150 /nfs/dbraw/zinc/03/11/50/869031150.db2.gz JDFANEYISXCXHK-UHFFFAOYSA-N 1 1 300.318 1.320 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001339139905 870365311 /nfs/dbraw/zinc/36/53/11/870365311.db2.gz NKNGTAOQMWJTEN-UHFFFAOYSA-N 1 1 313.277 1.161 20 5 DDBDMO Cc1cnoc1C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001317467037 870888668 /nfs/dbraw/zinc/88/86/68/870888668.db2.gz AUVSWIVGZWWPKF-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO Cc1cnoc1C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001317467037 870888679 /nfs/dbraw/zinc/88/86/79/870888679.db2.gz AUVSWIVGZWWPKF-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@H]2CCCN(C)C2=O)c1[N+](=O)[O-] ZINC001206691564 872512132 /nfs/dbraw/zinc/51/21/32/872512132.db2.gz JXUNNBILMBMMMP-JTQLQIEISA-N 1 1 309.322 1.019 20 5 DDBDMO COC(=O)[C@]1(F)CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596397 896522348 /nfs/dbraw/zinc/52/23/48/896522348.db2.gz CXYQEQFQJWGSPV-ZFWWWQNUSA-N 1 1 308.309 1.649 20 5 DDBDMO COC(=O)[C@]1(F)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596397 896522359 /nfs/dbraw/zinc/52/23/59/896522359.db2.gz CXYQEQFQJWGSPV-ZFWWWQNUSA-N 1 1 308.309 1.649 20 5 DDBDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595841 896522508 /nfs/dbraw/zinc/52/25/08/896522508.db2.gz NROYCEFNRULGKJ-PMRDEQMMSA-N 1 1 318.373 1.940 20 5 DDBDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254595841 896522518 /nfs/dbraw/zinc/52/25/18/896522518.db2.gz NROYCEFNRULGKJ-PMRDEQMMSA-N 1 1 318.373 1.940 20 5 DDBDMO CN(C1COC1)C1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604340 896528595 /nfs/dbraw/zinc/52/85/95/896528595.db2.gz VTGNQXZKLXHVOE-CQSZACIVSA-N 1 1 303.362 1.077 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001263980014 900853576 /nfs/dbraw/zinc/85/35/76/900853576.db2.gz LEJBWASZLQXSAR-BYCMXARLSA-N 1 1 303.362 1.973 20 5 DDBDMO O=C(CCCF)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265720857 902341332 /nfs/dbraw/zinc/34/13/32/902341332.db2.gz VSXZXZTYCTUJMT-FOLVSLTJSA-N 1 1 321.352 1.891 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1C(C)(C)C ZINC001307195213 915849814 /nfs/dbraw/zinc/84/98/14/915849814.db2.gz BMSLHZSNVFMCMH-LBPRGKRZSA-N 1 1 321.381 1.255 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452064487 231286614 /nfs/dbraw/zinc/28/66/14/231286614.db2.gz FLPOSEODXIRBNI-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452064487 231286619 /nfs/dbraw/zinc/28/66/19/231286619.db2.gz FLPOSEODXIRBNI-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO Cc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488736618 282270893 /nfs/dbraw/zinc/27/08/93/282270893.db2.gz VIZKZPOXXSEUNP-DMDPSCGWSA-N 1 1 307.398 1.803 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299295498 530057136 /nfs/dbraw/zinc/05/71/36/530057136.db2.gz CREWJXFWCYRLIL-CQSZACIVSA-N 1 1 316.361 1.760 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000413435751 530061092 /nfs/dbraw/zinc/06/10/92/530061092.db2.gz HUUDEMWASVCBMM-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000330762361 232050358 /nfs/dbraw/zinc/05/03/58/232050358.db2.gz HTBRHCQMVTVMAN-NSHDSACASA-N 1 1 321.381 1.293 20 5 DDBDMO Cc1ccc(C[N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000181979367 199370664 /nfs/dbraw/zinc/37/06/64/199370664.db2.gz JWIUVPUNIDBEKR-UHFFFAOYSA-N 1 1 304.350 1.594 20 5 DDBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671849 215050564 /nfs/dbraw/zinc/05/05/64/215050564.db2.gz DLYXIGJOPYGWIV-QWHCGFSZSA-N 1 1 309.366 1.382 20 5 DDBDMO CC1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000279679085 215056454 /nfs/dbraw/zinc/05/64/54/215056454.db2.gz GIRHAZQZTXQCLO-UHFFFAOYSA-N 1 1 311.407 1.974 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279723187 215092185 /nfs/dbraw/zinc/09/21/85/215092185.db2.gz IZHYQCNXYGYLIX-ZWNOBZJWSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279723187 215092187 /nfs/dbraw/zinc/09/21/87/215092187.db2.gz IZHYQCNXYGYLIX-ZWNOBZJWSA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000139425421 186022542 /nfs/dbraw/zinc/02/25/42/186022542.db2.gz FTELZWTUGKKPBN-UHFFFAOYSA-N 1 1 317.342 1.106 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000042811739 352352741 /nfs/dbraw/zinc/35/27/41/352352741.db2.gz FDKCRWQXRKBTMK-PHIMTYICSA-N 1 1 310.354 1.152 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000060410931 352871955 /nfs/dbraw/zinc/87/19/55/352871955.db2.gz WAXTXPMVWMUMIV-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO Cc1cccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000064333969 352933555 /nfs/dbraw/zinc/93/35/55/352933555.db2.gz LZKAHZGMXOUWRT-STQMWFEESA-N 1 1 319.361 1.496 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000067413202 353047839 /nfs/dbraw/zinc/04/78/39/353047839.db2.gz GDYCPJAYVACURP-CQSZACIVSA-N 1 1 321.377 1.822 20 5 DDBDMO C[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467751 353113412 /nfs/dbraw/zinc/11/34/12/353113412.db2.gz KZHKJRVZTRDJMM-UHFFFAOYSA-N 1 1 302.334 1.324 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000174641527 198363384 /nfs/dbraw/zinc/36/33/84/198363384.db2.gz WALCYYJUIWRPAJ-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076800569 353439088 /nfs/dbraw/zinc/43/90/88/353439088.db2.gz POHPUKSGYRAKNO-PHIMTYICSA-N 1 1 308.386 1.747 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078404033 353515178 /nfs/dbraw/zinc/51/51/78/353515178.db2.gz ZFHASLKTCWNFDD-ZDUSSCGKSA-N 1 1 306.366 1.457 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601291478 358480561 /nfs/dbraw/zinc/48/05/61/358480561.db2.gz KQRHMNTXMFXBEY-LNSITVRQSA-N 1 1 316.361 1.778 20 5 DDBDMO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000617751298 363287596 /nfs/dbraw/zinc/28/75/96/363287596.db2.gz FHMPGKJKYBEFSW-HUBLWGQQSA-N 1 1 321.377 1.534 20 5 DDBDMO C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000617751298 363287601 /nfs/dbraw/zinc/28/76/01/363287601.db2.gz FHMPGKJKYBEFSW-HUBLWGQQSA-N 1 1 321.377 1.534 20 5 DDBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161896808 354244142 /nfs/dbraw/zinc/24/41/42/354244142.db2.gz OOZDCDBJHSJWGU-CYBMUJFWSA-N 1 1 324.381 1.847 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293110161 354453878 /nfs/dbraw/zinc/45/38/78/354453878.db2.gz LPLSHKMSVGJUCD-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293110161 354453880 /nfs/dbraw/zinc/45/38/80/354453880.db2.gz LPLSHKMSVGJUCD-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C1CC1 ZINC000305721028 354471294 /nfs/dbraw/zinc/47/12/94/354471294.db2.gz IIVOKQRTTSZROA-HZMBPMFUSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C1CC1 ZINC000305721028 354471296 /nfs/dbraw/zinc/47/12/96/354471296.db2.gz IIVOKQRTTSZROA-HZMBPMFUSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320555842 354528106 /nfs/dbraw/zinc/52/81/06/354528106.db2.gz KMCGRARFCWNMID-NSHDSACASA-N 1 1 305.334 1.834 20 5 DDBDMO CC[N@H+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000317558078 354511932 /nfs/dbraw/zinc/51/19/32/354511932.db2.gz MZEAMPRZEAHDFK-LLVKDONJSA-N 1 1 307.350 1.912 20 5 DDBDMO C[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668486 299218396 /nfs/dbraw/zinc/21/83/96/299218396.db2.gz XNRIFYZIDPGCGH-ABAIWWIYSA-N 1 1 322.365 1.022 20 5 DDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000588002841 354891986 /nfs/dbraw/zinc/89/19/86/354891986.db2.gz VKCVGKITFHZQIL-SCZZXKLOSA-N 1 1 323.378 1.731 20 5 DDBDMO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000588002841 354891989 /nfs/dbraw/zinc/89/19/89/354891989.db2.gz VKCVGKITFHZQIL-SCZZXKLOSA-N 1 1 323.378 1.731 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000590047190 355044963 /nfs/dbraw/zinc/04/49/63/355044963.db2.gz XDJJTURWRTUFNN-RISCZKNCSA-N 1 1 319.361 1.688 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000590446887 355099646 /nfs/dbraw/zinc/09/96/46/355099646.db2.gz WVSFCDSZUZUFFU-JSGCOSHPSA-N 1 1 319.361 1.526 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655894 355138994 /nfs/dbraw/zinc/13/89/94/355138994.db2.gz CRLUBNDLXSHCSK-JSGCOSHPSA-N 1 1 322.361 1.974 20 5 DDBDMO CCn1cc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C(C)C)cn1 ZINC000593081615 355789293 /nfs/dbraw/zinc/78/92/93/355789293.db2.gz UBBKTBXQXMTVFY-UHFFFAOYSA-N 1 1 306.370 1.918 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593502946 355905763 /nfs/dbraw/zinc/90/57/63/355905763.db2.gz FYDOTWIWIYXROY-CYBMUJFWSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469717 356505064 /nfs/dbraw/zinc/50/50/64/356505064.db2.gz XDIWDQYGQCGJJG-LBPRGKRZSA-N 1 1 311.357 1.886 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595469717 356505068 /nfs/dbraw/zinc/50/50/68/356505068.db2.gz XDIWDQYGQCGJJG-LBPRGKRZSA-N 1 1 311.357 1.886 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3onc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000595506116 356522533 /nfs/dbraw/zinc/52/25/33/356522533.db2.gz ZQAQHOLAEDZVMF-NWDGAFQWSA-N 1 1 310.354 1.186 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556691 192290506 /nfs/dbraw/zinc/29/05/06/192290506.db2.gz SXDVPVAYEIDZFY-QWRGUYRKSA-N 1 1 322.365 1.236 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(COC2)C1 ZINC000595832610 356669511 /nfs/dbraw/zinc/66/95/11/356669511.db2.gz GGSSLMDAQCCUNH-LLVKDONJSA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(COC2)C1 ZINC000595832610 356669512 /nfs/dbraw/zinc/66/95/12/356669512.db2.gz GGSSLMDAQCCUNH-LLVKDONJSA-N 1 1 305.334 1.644 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H]4COC[C@H]4C3)nc2c1 ZINC000595827695 356666710 /nfs/dbraw/zinc/66/67/10/356666710.db2.gz DADYNDDEXCZDIT-WDEREUQCSA-N 1 1 302.334 1.939 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862393 356682364 /nfs/dbraw/zinc/68/23/64/356682364.db2.gz BISFALALHOIQMB-OAHLLOKOSA-N 1 1 321.377 1.331 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862393 356682366 /nfs/dbraw/zinc/68/23/66/356682366.db2.gz BISFALALHOIQMB-OAHLLOKOSA-N 1 1 321.377 1.331 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111001 356776119 /nfs/dbraw/zinc/77/61/19/356776119.db2.gz UBVUAQOWVRWUOR-LBPRGKRZSA-N 1 1 322.365 1.216 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000596170406 356801030 /nfs/dbraw/zinc/80/10/30/356801030.db2.gz ZLDJJQKPHSKJST-FZMZJTMJSA-N 1 1 318.377 1.614 20 5 DDBDMO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000597712902 357297751 /nfs/dbraw/zinc/29/77/51/357297751.db2.gz AECWSVYPPWZXAF-INIZCTEOSA-N 1 1 319.361 1.858 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000597712902 357297752 /nfs/dbraw/zinc/29/77/52/357297752.db2.gz AECWSVYPPWZXAF-INIZCTEOSA-N 1 1 319.361 1.858 20 5 DDBDMO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598038277 357437559 /nfs/dbraw/zinc/43/75/59/357437559.db2.gz BTUCKGFALKGHHX-NSHDSACASA-N 1 1 308.338 1.252 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598343108 357545508 /nfs/dbraw/zinc/54/55/08/357545508.db2.gz SJZPIJJXQCXPCL-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598342781 357545815 /nfs/dbraw/zinc/54/58/15/357545815.db2.gz QDEVTLBGHGNAMX-LLVKDONJSA-N 1 1 321.333 1.538 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598454587 357589578 /nfs/dbraw/zinc/58/95/78/357589578.db2.gz WZCONPTVWWWYCE-HNNXBMFYSA-N 1 1 319.361 1.266 20 5 DDBDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598648160 357669222 /nfs/dbraw/zinc/66/92/22/357669222.db2.gz OETAJHAZPZCUBO-CYBMUJFWSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598646912 357669315 /nfs/dbraw/zinc/66/93/15/357669315.db2.gz AVPAXNZJYHFJBK-MFKMUULPSA-N 1 1 307.350 1.144 20 5 DDBDMO C[NH+]1CCN(CC2CN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000599105971 357817546 /nfs/dbraw/zinc/81/75/46/357817546.db2.gz IGRMNFZDURRQNA-UHFFFAOYSA-N 1 1 308.357 1.418 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175509 357840153 /nfs/dbraw/zinc/84/01/53/357840153.db2.gz DKHCPAFPIRQXNH-GFCCVEGCSA-N 1 1 302.334 1.622 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1NCC[N@@H+]1CC[C@H](O)C1)CCCC2 ZINC000599200085 357847281 /nfs/dbraw/zinc/84/72/81/357847281.db2.gz WBICNJDUHNCKKS-LBPRGKRZSA-N 1 1 306.366 1.347 20 5 DDBDMO O=[N+]([O-])c1cccc2c(NCC[N@@H+]3CC[C@H](O)C3)ccnc21 ZINC000599198977 357847359 /nfs/dbraw/zinc/84/73/59/357847359.db2.gz DJRZHSQNWOPLFW-NSHDSACASA-N 1 1 302.334 1.622 20 5 DDBDMO Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599198924 357848036 /nfs/dbraw/zinc/84/80/36/357848036.db2.gz BFYMKNIGCUSCTC-LBPRGKRZSA-N 1 1 316.361 1.930 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000179396614 199028103 /nfs/dbraw/zinc/02/81/03/199028103.db2.gz DRYJELRDPQEQBZ-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC000599471915 357948678 /nfs/dbraw/zinc/94/86/78/357948678.db2.gz HAXJJHGLIICWBL-UHFFFAOYSA-N 1 1 305.378 1.891 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599567295 357976868 /nfs/dbraw/zinc/97/68/68/357976868.db2.gz WKZBSUZOZDLZBM-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599567295 357976871 /nfs/dbraw/zinc/97/68/71/357976871.db2.gz WKZBSUZOZDLZBM-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO CC(C)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808444 358320296 /nfs/dbraw/zinc/32/02/96/358320296.db2.gz OOJZQKWVUDNHGG-ZDUSSCGKSA-N 1 1 321.377 1.515 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601136474 358416993 /nfs/dbraw/zinc/41/69/93/358416993.db2.gz FLTNWQYPPPAFOG-YUMQZZPRSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601136474 358416996 /nfs/dbraw/zinc/41/69/96/358416996.db2.gz FLTNWQYPPPAFOG-YUMQZZPRSA-N 1 1 321.303 1.876 20 5 DDBDMO Cc1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000601149864 358422163 /nfs/dbraw/zinc/42/21/63/358422163.db2.gz QXMMEQHGGFJSNU-HNNXBMFYSA-N 1 1 304.350 1.634 20 5 DDBDMO O=C1CCC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)N1 ZINC000601156468 358425667 /nfs/dbraw/zinc/42/56/67/358425667.db2.gz RAAVIPZTHFCKEA-SNVBAGLBSA-N 1 1 300.318 1.646 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602150412 358849022 /nfs/dbraw/zinc/84/90/22/358849022.db2.gz JFACJAGRBHTOFW-CYBMUJFWSA-N 1 1 305.378 1.938 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602652026 359101272 /nfs/dbraw/zinc/10/12/72/359101272.db2.gz CUWLSHKIJNDBQN-UHFFFAOYSA-N 1 1 321.381 1.875 20 5 DDBDMO CCC(=O)N1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768655 359176480 /nfs/dbraw/zinc/17/64/80/359176480.db2.gz OUSVNHIBZHPMMP-UHFFFAOYSA-N 1 1 309.370 1.044 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768655 359176485 /nfs/dbraw/zinc/17/64/85/359176485.db2.gz OUSVNHIBZHPMMP-UHFFFAOYSA-N 1 1 309.370 1.044 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000602795317 359198188 /nfs/dbraw/zinc/19/81/88/359198188.db2.gz HUHOLHMXOWNHJD-OCCSQVGLSA-N 1 1 318.381 1.879 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602831704 359223806 /nfs/dbraw/zinc/22/38/06/359223806.db2.gz PWHXIDNHNMMMKF-RDJZCZTQSA-N 1 1 322.405 1.981 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000603142366 359430714 /nfs/dbraw/zinc/43/07/14/359430714.db2.gz JWNOAYVBCHYCKF-TXEJJXNPSA-N 1 1 323.397 1.431 20 5 DDBDMO CC[C@@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187580127 200130093 /nfs/dbraw/zinc/13/00/93/200130093.db2.gz NDYDAEHMQLQPRU-OAHLLOKOSA-N 1 1 309.366 1.241 20 5 DDBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982149 200185871 /nfs/dbraw/zinc/18/58/71/200185871.db2.gz VYNUQHZYQBGADJ-BDJLRTHQSA-N 1 1 321.377 1.677 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383578 360303343 /nfs/dbraw/zinc/30/33/43/360303343.db2.gz VLZPNYQKZXMQQG-ZDUSSCGKSA-N 1 1 319.361 1.574 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283849 360287099 /nfs/dbraw/zinc/28/70/99/360287099.db2.gz FREMKTLZMUTXFV-HIFRSBDPSA-N 1 1 323.393 1.361 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448293 360307807 /nfs/dbraw/zinc/30/78/07/360307807.db2.gz HZTXZRVNUVZTTQ-ZDUSSCGKSA-N 1 1 307.325 1.948 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899534 360567201 /nfs/dbraw/zinc/56/72/01/360567201.db2.gz YYGOFWFMAJOMNP-RISCZKNCSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899534 360567205 /nfs/dbraw/zinc/56/72/05/360567205.db2.gz YYGOFWFMAJOMNP-RISCZKNCSA-N 1 1 322.365 1.113 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000610912571 360570330 /nfs/dbraw/zinc/57/03/30/360570330.db2.gz YMUVKGTWURJEJS-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000610912571 360570334 /nfs/dbraw/zinc/57/03/34/360570334.db2.gz YMUVKGTWURJEJS-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO COCC1([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000611179035 360651228 /nfs/dbraw/zinc/65/12/28/360651228.db2.gz ZASZZOGIIFISDF-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO COCC1([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000611179035 360651233 /nfs/dbraw/zinc/65/12/33/360651233.db2.gz ZASZZOGIIFISDF-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148672 360637856 /nfs/dbraw/zinc/63/78/56/360637856.db2.gz RQSCMGDPGSUGAF-LBPRGKRZSA-N 1 1 316.361 1.829 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000611204917 360658717 /nfs/dbraw/zinc/65/87/17/360658717.db2.gz IGWNGUWIMGOEFD-UHFFFAOYSA-N 1 1 322.365 1.334 20 5 DDBDMO COCC[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699490 360796814 /nfs/dbraw/zinc/79/68/14/360796814.db2.gz DGUPJJWBCQZDNR-UHFFFAOYSA-N 1 1 317.349 1.306 20 5 DDBDMO C[N@H+](C[C@H](O)C1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086861 360913702 /nfs/dbraw/zinc/91/37/02/360913702.db2.gz YZYIHLRJYCOCLA-JSGCOSHPSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713164 223213251 /nfs/dbraw/zinc/21/32/51/223213251.db2.gz SVHQUAJLFACGAS-VXGBXAGGSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874032 364170411 /nfs/dbraw/zinc/17/04/11/364170411.db2.gz WWHKUUKURIORCJ-CYBMUJFWSA-N 1 1 318.377 1.023 20 5 DDBDMO CO[C@@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293061611 223378122 /nfs/dbraw/zinc/37/81/22/223378122.db2.gz IMYHSKDZNPZETD-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000275180368 212178134 /nfs/dbraw/zinc/17/81/34/212178134.db2.gz CPVUMQFANYMTOR-UHFFFAOYSA-N 1 1 311.769 2.000 20 5 DDBDMO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000274925101 212037866 /nfs/dbraw/zinc/03/78/66/212037866.db2.gz MBFDLYUVHBXNLI-JTQLQIEISA-N 1 1 305.334 1.681 20 5 DDBDMO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000274925101 212037868 /nfs/dbraw/zinc/03/78/68/212037868.db2.gz MBFDLYUVHBXNLI-JTQLQIEISA-N 1 1 305.334 1.681 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264641194 204046334 /nfs/dbraw/zinc/04/63/34/204046334.db2.gz OEVBRJKQZKZTRV-ZDUSSCGKSA-N 1 1 303.362 1.738 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000264664660 204062218 /nfs/dbraw/zinc/06/22/18/204062218.db2.gz JHHVSGGKUHSIKT-SNVBAGLBSA-N 1 1 311.386 1.731 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000265089104 204389457 /nfs/dbraw/zinc/38/94/57/204389457.db2.gz ZGZCFFZVHUWSIS-UHFFFAOYSA-N 1 1 318.333 1.685 20 5 DDBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000271731141 209164151 /nfs/dbraw/zinc/16/41/51/209164151.db2.gz MZSCYGMMOWYSQD-AVGNSLFASA-N 1 1 321.377 1.929 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000266192881 205173368 /nfs/dbraw/zinc/17/33/68/205173368.db2.gz GZAMJZPOFFJMAH-SNVBAGLBSA-N 1 1 305.338 1.909 20 5 DDBDMO C[NH+](C)C[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000267443853 206071107 /nfs/dbraw/zinc/07/11/07/206071107.db2.gz CPYFYMAOFCYYFJ-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061380226 184170256 /nfs/dbraw/zinc/17/02/56/184170256.db2.gz JJGAJLQOBTYQJC-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)CC1CC1 ZINC000352479059 285080419 /nfs/dbraw/zinc/08/04/19/285080419.db2.gz AFFUJSPQDKNMKU-CYBMUJFWSA-N 1 1 310.350 1.039 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000078671289 285112013 /nfs/dbraw/zinc/11/20/13/285112013.db2.gz KJFMKEGLYJGKDF-UHFFFAOYSA-N 1 1 322.283 1.968 20 5 DDBDMO COc1cc(C[N@@H+]2CCSC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000352546438 285130716 /nfs/dbraw/zinc/13/07/16/285130716.db2.gz VFUPNSNYDDVRBJ-GFCCVEGCSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1cc(C[N@H+]2CCSC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000352546438 285130718 /nfs/dbraw/zinc/13/07/18/285130718.db2.gz VFUPNSNYDDVRBJ-GFCCVEGCSA-N 1 1 312.391 1.903 20 5 DDBDMO CN(C)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413106626 224136308 /nfs/dbraw/zinc/13/63/08/224136308.db2.gz YXZWRIFKKSMMBD-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000567971134 304256929 /nfs/dbraw/zinc/25/69/29/304256929.db2.gz URLGPLUNBSFDTR-HNNXBMFYSA-N 1 1 310.350 1.829 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CO)C1 ZINC000121594323 195312163 /nfs/dbraw/zinc/31/21/63/195312163.db2.gz XACGOWKGCQCUCE-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CO)C1 ZINC000121594323 195312164 /nfs/dbraw/zinc/31/21/64/195312164.db2.gz XACGOWKGCQCUCE-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO COC(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027344323 406908618 /nfs/dbraw/zinc/90/86/18/406908618.db2.gz DCBFFLWGBPZHCE-UHFFFAOYSA-N 1 1 321.333 1.079 20 5 DDBDMO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000046599870 407061814 /nfs/dbraw/zinc/06/18/14/407061814.db2.gz GEJVWFVHCKRGLM-UHFFFAOYSA-N 1 1 320.349 1.357 20 5 DDBDMO C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1[N+](=O)[O-] ZINC000046599870 407061817 /nfs/dbraw/zinc/06/18/17/407061817.db2.gz GEJVWFVHCKRGLM-UHFFFAOYSA-N 1 1 320.349 1.357 20 5 DDBDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000056508282 407209988 /nfs/dbraw/zinc/20/99/88/407209988.db2.gz LDYZXHHYGJOEAE-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000097617542 407300657 /nfs/dbraw/zinc/30/06/57/407300657.db2.gz KRKGXHISKMZGEA-UHFFFAOYSA-N 1 1 318.377 1.947 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124497547 407359912 /nfs/dbraw/zinc/35/99/12/407359912.db2.gz ANOYWGXQRWWUGK-GXTWGEPZSA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124498006 407360171 /nfs/dbraw/zinc/36/01/71/407360171.db2.gz ANOYWGXQRWWUGK-JSGCOSHPSA-N 1 1 321.377 1.915 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000271010969 407466980 /nfs/dbraw/zinc/46/69/80/407466980.db2.gz ZSXFOQLZQMCTIK-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO COC[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762640 407442497 /nfs/dbraw/zinc/44/24/97/407442497.db2.gz HISXIZFDRNSJKR-GXTWGEPZSA-N 1 1 310.350 1.303 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270968065 407443392 /nfs/dbraw/zinc/44/33/92/407443392.db2.gz VTOGBQOVBXQCDG-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+](Cc1ccncc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270998750 407460700 /nfs/dbraw/zinc/46/07/00/407460700.db2.gz JWLTXNHXNIQTSG-CQSZACIVSA-N 1 1 305.338 1.069 20 5 DDBDMO C[C@H](C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541459 407552786 /nfs/dbraw/zinc/55/27/86/407552786.db2.gz QCHAPEJHYKOPMU-CZUORRHYSA-N 1 1 318.377 1.888 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000271257747 407599543 /nfs/dbraw/zinc/59/95/43/407599543.db2.gz ALBJXMNCIBUMIF-LBPRGKRZSA-N 1 1 307.354 1.050 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000178862616 407629222 /nfs/dbraw/zinc/62/92/22/407629222.db2.gz KQMCAXPNUNQWHU-LSDHHAIUSA-N 1 1 310.350 1.102 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178873013 407635470 /nfs/dbraw/zinc/63/54/70/407635470.db2.gz ADSHRAPYWOAJGN-JSGCOSHPSA-N 1 1 308.334 1.656 20 5 DDBDMO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000115517102 407687602 /nfs/dbraw/zinc/68/76/02/407687602.db2.gz PCIZZRZAIWXZTP-CYBMUJFWSA-N 1 1 308.382 1.845 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186764279 407766448 /nfs/dbraw/zinc/76/64/48/407766448.db2.gz HGOXBEFITKWLNQ-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186764279 407766455 /nfs/dbraw/zinc/76/64/55/407766455.db2.gz HGOXBEFITKWLNQ-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186764279 407766460 /nfs/dbraw/zinc/76/64/60/407766460.db2.gz HGOXBEFITKWLNQ-AWEZNQCLSA-N 1 1 323.393 1.361 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181184812 407963245 /nfs/dbraw/zinc/96/32/45/407963245.db2.gz NXDVFILTVWYRNR-PWSUYJOCSA-N 1 1 306.366 1.636 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272428621 407915320 /nfs/dbraw/zinc/91/53/20/407915320.db2.gz HJCOHNICAFFRFT-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO CCCCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000272555161 407982279 /nfs/dbraw/zinc/98/22/79/407982279.db2.gz LDNRGZZSHRMJBB-UHFFFAOYSA-N 1 1 309.366 1.951 20 5 DDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154464308 408038244 /nfs/dbraw/zinc/03/82/44/408038244.db2.gz UIODTKGWPISSPQ-UKRRQHHQSA-N 1 1 322.361 1.903 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245715105 408049552 /nfs/dbraw/zinc/04/95/52/408049552.db2.gz NXDVFILTVWYRNR-CMPLNLGQSA-N 1 1 306.366 1.636 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000273084932 408050189 /nfs/dbraw/zinc/05/01/89/408050189.db2.gz YOOSLURCAYKTKK-VNHYZAJKSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000273084932 408050194 /nfs/dbraw/zinc/05/01/94/408050194.db2.gz YOOSLURCAYKTKK-VNHYZAJKSA-N 1 1 322.361 1.588 20 5 DDBDMO C[NH+]1CCC(C)(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272585693 407994097 /nfs/dbraw/zinc/99/40/97/407994097.db2.gz YZHRBPGVKYHEEB-UHFFFAOYSA-N 1 1 307.350 1.762 20 5 DDBDMO O=C1NCCCC[C@@H]1[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245857470 408079342 /nfs/dbraw/zinc/07/93/42/408079342.db2.gz KIGOKQIOSAHHMD-YPMHNXCESA-N 1 1 319.365 1.145 20 5 DDBDMO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000245994035 408117090 /nfs/dbraw/zinc/11/70/90/408117090.db2.gz AAQFGLLOMFVSML-WFASDCNBSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000245994035 408117098 /nfs/dbraw/zinc/11/70/98/408117098.db2.gz AAQFGLLOMFVSML-WFASDCNBSA-N 1 1 319.361 1.811 20 5 DDBDMO COc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155075769 408123263 /nfs/dbraw/zinc/12/32/63/408123263.db2.gz QEYZWTYELLIKIS-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155075769 408123268 /nfs/dbraw/zinc/12/32/68/408123268.db2.gz QEYZWTYELLIKIS-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246315656 408215515 /nfs/dbraw/zinc/21/55/15/408215515.db2.gz KBGUGJKJJZPNRT-WFASDCNBSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000190348788 408226386 /nfs/dbraw/zinc/22/63/86/408226386.db2.gz KMNGYYFUMPTGDA-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO CCCCC[N@@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183053869 408314534 /nfs/dbraw/zinc/31/45/34/408314534.db2.gz YHZURUDATMZBTK-AWEZNQCLSA-N 1 1 309.366 1.606 20 5 DDBDMO CCCCC[N@H+](CC(N)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000183053869 408314538 /nfs/dbraw/zinc/31/45/38/408314538.db2.gz YHZURUDATMZBTK-AWEZNQCLSA-N 1 1 309.366 1.606 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190909434 408340507 /nfs/dbraw/zinc/34/05/07/408340507.db2.gz SJWHAPYXTZMOCF-NEPJUHHUSA-N 1 1 307.350 1.484 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C[C@H](C)O ZINC000246785044 408338133 /nfs/dbraw/zinc/33/81/33/408338133.db2.gz JAQKOEHUGGLUBW-QWRGUYRKSA-N 1 1 311.338 1.105 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C[C@H](C)O ZINC000246785044 408338138 /nfs/dbraw/zinc/33/81/38/408338138.db2.gz JAQKOEHUGGLUBW-QWRGUYRKSA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183184997 408348469 /nfs/dbraw/zinc/34/84/69/408348469.db2.gz AGRFETPLPRKKJK-AAEUAGOBSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183184997 408348472 /nfs/dbraw/zinc/34/84/72/408348472.db2.gz AGRFETPLPRKKJK-AAEUAGOBSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543568 408444868 /nfs/dbraw/zinc/44/48/68/408444868.db2.gz UUUKGIOXRAHXEU-YGRLFVJLSA-N 1 1 306.366 1.589 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)nc1 ZINC000248388057 408555590 /nfs/dbraw/zinc/55/55/90/408555590.db2.gz CUHSTHUGSJZPTG-PSASIEDQSA-N 1 1 320.271 1.399 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)nc1 ZINC000248388057 408555592 /nfs/dbraw/zinc/55/55/92/408555592.db2.gz CUHSTHUGSJZPTG-PSASIEDQSA-N 1 1 320.271 1.399 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248441390 408566190 /nfs/dbraw/zinc/56/61/90/408566190.db2.gz DQGXXAUHODJIDV-MGPQQGTHSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534276 408566457 /nfs/dbraw/zinc/56/64/57/408566457.db2.gz WDMVXQYWFPEHNU-IUODEOHRSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534276 408566459 /nfs/dbraw/zinc/56/64/59/408566459.db2.gz WDMVXQYWFPEHNU-IUODEOHRSA-N 1 1 321.377 1.793 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248459348 408570606 /nfs/dbraw/zinc/57/06/06/408570606.db2.gz NNXLKUZEMWOHGU-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193358651 408713454 /nfs/dbraw/zinc/71/34/54/408713454.db2.gz KPKGZHOLZYWACJ-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162617620 408719563 /nfs/dbraw/zinc/71/95/63/408719563.db2.gz LTDVUIOSHQJNKN-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249550064 408740756 /nfs/dbraw/zinc/74/07/56/408740756.db2.gz HPDTXANIZJCYTP-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000251696821 408785598 /nfs/dbraw/zinc/78/55/98/408785598.db2.gz IRBPJCRBIVCFJP-RYUDHWBXSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000251696821 408785601 /nfs/dbraw/zinc/78/56/01/408785601.db2.gz IRBPJCRBIVCFJP-RYUDHWBXSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000251903102 408788694 /nfs/dbraw/zinc/78/86/94/408788694.db2.gz SOJYVZOMZFLQHB-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000251903102 408788697 /nfs/dbraw/zinc/78/86/97/408788697.db2.gz SOJYVZOMZFLQHB-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000252441772 408794211 /nfs/dbraw/zinc/79/42/11/408794211.db2.gz RXRDTFGXKQPDQQ-UKRRQHHQSA-N 1 1 324.377 1.693 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000270942882 408752056 /nfs/dbraw/zinc/75/20/56/408752056.db2.gz RSFKXYPVNIOLCV-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000270942882 408752062 /nfs/dbraw/zinc/75/20/62/408752062.db2.gz RSFKXYPVNIOLCV-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000178004438 408754992 /nfs/dbraw/zinc/75/49/92/408754992.db2.gz TZQOQAHNUPGAFP-NHYWBVRUSA-N 1 1 318.377 1.733 20 5 DDBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191482894 163188862 /nfs/dbraw/zinc/18/88/62/163188862.db2.gz SSDLEKAQTBOUDK-HNNXBMFYSA-N 1 1 318.377 1.981 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCC[NH+]1CCN(C)CC1 ZINC000192585332 163227765 /nfs/dbraw/zinc/22/77/65/163227765.db2.gz IUDGCQAGGJRDGY-UHFFFAOYSA-N 1 1 324.429 1.193 20 5 DDBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166587 408935347 /nfs/dbraw/zinc/93/53/47/408935347.db2.gz WOIPALXJXAUSHJ-ZIAGYGMSSA-N 1 1 323.393 1.772 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277432161 408939352 /nfs/dbraw/zinc/93/93/52/408939352.db2.gz DTCZJRYFDUIFPJ-CYBMUJFWSA-N 1 1 321.381 1.315 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282209803 409011252 /nfs/dbraw/zinc/01/12/52/409011252.db2.gz XWAPLHJJVKLTEZ-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO O=c1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000278954119 409120831 /nfs/dbraw/zinc/12/08/31/409120831.db2.gz ZAOXYUDFPXFJJS-GASCZTMLSA-N 1 1 311.337 1.484 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283556770 409175664 /nfs/dbraw/zinc/17/56/64/409175664.db2.gz UJRWLWHIQMPZKZ-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO O=c1nc([C@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000289047478 409211522 /nfs/dbraw/zinc/21/15/22/409211522.db2.gz BWJRJJLBFAOHQQ-GFCCVEGCSA-N 1 1 303.322 1.733 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294020359 409226222 /nfs/dbraw/zinc/22/62/22/409226222.db2.gz QMCDDWIEAMXXSD-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294020359 409226225 /nfs/dbraw/zinc/22/62/25/409226225.db2.gz QMCDDWIEAMXXSD-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(=O)c1cc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000283848884 409227217 /nfs/dbraw/zinc/22/72/17/409227217.db2.gz TZEIAKMPUQHQHW-UHFFFAOYSA-N 1 1 307.350 1.302 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279384985 409203845 /nfs/dbraw/zinc/20/38/45/409203845.db2.gz IFOOUWFPUJDSPL-SNVBAGLBSA-N 1 1 324.356 1.730 20 5 DDBDMO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295260793 409402124 /nfs/dbraw/zinc/40/21/24/409402124.db2.gz GCJFLDMBADPCOF-STQMWFEESA-N 1 1 320.393 1.408 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285390764 409423223 /nfs/dbraw/zinc/42/32/23/409423223.db2.gz NXXJLDZYXQMSML-TZMCWYRMSA-N 1 1 320.353 1.103 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285390764 409423224 /nfs/dbraw/zinc/42/32/24/409423224.db2.gz NXXJLDZYXQMSML-TZMCWYRMSA-N 1 1 320.353 1.103 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425730 409476626 /nfs/dbraw/zinc/47/66/26/409476626.db2.gz UHMSWWOSXKUJCI-SNVBAGLBSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425730 409476629 /nfs/dbraw/zinc/47/66/29/409476629.db2.gz UHMSWWOSXKUJCI-SNVBAGLBSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425730 409476632 /nfs/dbraw/zinc/47/66/32/409476632.db2.gz UHMSWWOSXKUJCI-SNVBAGLBSA-N 1 1 321.381 1.437 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@H]2C1 ZINC000408278029 164283848 /nfs/dbraw/zinc/28/38/48/164283848.db2.gz COXGVHDCIIOSRJ-TXEJJXNPSA-N 1 1 314.345 1.710 20 5 DDBDMO C[N@@H+](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CCCC1 ZINC000290694411 409491013 /nfs/dbraw/zinc/49/10/13/409491013.db2.gz UYSAIVHHUSFZNK-UHFFFAOYSA-N 1 1 307.354 1.375 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356793983 409613263 /nfs/dbraw/zinc/61/32/63/409613263.db2.gz LWBVGLBWLPTQQB-GHMZBOCLSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356793983 409613272 /nfs/dbraw/zinc/61/32/72/409613272.db2.gz LWBVGLBWLPTQQB-GHMZBOCLSA-N 1 1 322.365 1.695 20 5 DDBDMO CC[N@H+](Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305034147 409657299 /nfs/dbraw/zinc/65/72/99/409657299.db2.gz IDKUGBVTDUZGSF-CQSZACIVSA-N 1 1 305.338 1.069 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881926 409689185 /nfs/dbraw/zinc/68/91/85/409689185.db2.gz PEFAAVVSPYXNIO-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881926 409689192 /nfs/dbraw/zinc/68/91/92/409689192.db2.gz PEFAAVVSPYXNIO-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881926 409689202 /nfs/dbraw/zinc/68/92/02/409689202.db2.gz PEFAAVVSPYXNIO-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881926 409689210 /nfs/dbraw/zinc/68/92/10/409689210.db2.gz PEFAAVVSPYXNIO-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000354439059 409854879 /nfs/dbraw/zinc/85/48/79/409854879.db2.gz UXKSYRABUQQWQD-NWDGAFQWSA-N 1 1 308.382 1.878 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002317 410479238 /nfs/dbraw/zinc/47/92/38/410479238.db2.gz JWXRWTRYIVHTFN-VXGBXAGGSA-N 1 1 322.340 1.673 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C[NH+](C)C)on1 ZINC000359175087 410563920 /nfs/dbraw/zinc/56/39/20/410563920.db2.gz RCUDFJOLJCFPLC-UHFFFAOYSA-N 1 1 318.333 1.917 20 5 DDBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355541670 410571020 /nfs/dbraw/zinc/57/10/20/410571020.db2.gz JAMFXCLPBYPRFD-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355541670 410571027 /nfs/dbraw/zinc/57/10/27/410571027.db2.gz JAMFXCLPBYPRFD-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](C)O ZINC000352228777 410562117 /nfs/dbraw/zinc/56/21/17/410562117.db2.gz AMZOYGGQZDGMSG-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](C)O ZINC000352228777 410562120 /nfs/dbraw/zinc/56/21/20/410562120.db2.gz AMZOYGGQZDGMSG-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301197144 410674970 /nfs/dbraw/zinc/67/49/70/410674970.db2.gz UQYJELUQTGODTP-LLVKDONJSA-N 1 1 324.356 1.733 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301406052 410714929 /nfs/dbraw/zinc/71/49/29/410714929.db2.gz UQAVZHSXEQHLTD-CYBMUJFWSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000301406052 410714940 /nfs/dbraw/zinc/71/49/40/410714940.db2.gz UQAVZHSXEQHLTD-CYBMUJFWSA-N 1 1 307.350 1.879 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCNC1=O ZINC000340217360 410760753 /nfs/dbraw/zinc/76/07/53/410760753.db2.gz BGJAXGRVDNRRMK-ZDUSSCGKSA-N 1 1 320.349 1.052 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600204 410813744 /nfs/dbraw/zinc/81/37/44/410813744.db2.gz FQIZJXFWBXMKHV-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600204 410813749 /nfs/dbraw/zinc/81/37/49/410813749.db2.gz FQIZJXFWBXMKHV-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600204 410813751 /nfs/dbraw/zinc/81/37/51/410813751.db2.gz FQIZJXFWBXMKHV-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600204 410813755 /nfs/dbraw/zinc/81/37/55/410813755.db2.gz FQIZJXFWBXMKHV-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000340310434 410845332 /nfs/dbraw/zinc/84/53/32/410845332.db2.gz YEYVDOGBYVNULQ-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000302659361 410846009 /nfs/dbraw/zinc/84/60/09/410846009.db2.gz AQUVLRGMHFMWFD-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO COc1cc(C(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])cc1OC ZINC000337617167 410900402 /nfs/dbraw/zinc/90/04/02/410900402.db2.gz MFAQTCYEPCHJBU-UHFFFAOYSA-N 1 1 309.322 1.048 20 5 DDBDMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331278105 411054473 /nfs/dbraw/zinc/05/44/73/411054473.db2.gz DFLFHTUVEXGLMZ-GFCCVEGCSA-N 1 1 321.381 1.343 20 5 DDBDMO CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331278105 411054478 /nfs/dbraw/zinc/05/44/78/411054478.db2.gz DFLFHTUVEXGLMZ-GFCCVEGCSA-N 1 1 321.381 1.343 20 5 DDBDMO C[N@H+](CCc1ccccc1O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000344230874 411042792 /nfs/dbraw/zinc/04/27/92/411042792.db2.gz YKECYCYPNWIKKT-UHFFFAOYSA-N 1 1 317.345 1.637 20 5 DDBDMO CC[C@H](CO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353671089 411105383 /nfs/dbraw/zinc/10/53/83/411105383.db2.gz JMKGGUFHADQMEI-OCCSQVGLSA-N 1 1 304.350 1.778 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000374501916 418535888 /nfs/dbraw/zinc/53/58/88/418535888.db2.gz GEKPQURIPNJXPQ-CALCHBBNSA-N 1 1 319.405 1.932 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000366956236 418542915 /nfs/dbraw/zinc/54/29/15/418542915.db2.gz XRWRMOBWUIEBMS-CYBMUJFWSA-N 1 1 315.333 1.094 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000366956236 418542919 /nfs/dbraw/zinc/54/29/19/418542919.db2.gz XRWRMOBWUIEBMS-CYBMUJFWSA-N 1 1 315.333 1.094 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCSC3)CC2)s1 ZINC000367148503 418564446 /nfs/dbraw/zinc/56/44/46/418564446.db2.gz XZQUJORMPMRLML-VIFPVBQESA-N 1 1 300.409 1.679 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000293617673 418580275 /nfs/dbraw/zinc/58/02/75/418580275.db2.gz DGTYAOBFRUIMHQ-OAHLLOKOSA-N 1 1 322.340 1.484 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365055772 418834567 /nfs/dbraw/zinc/83/45/67/418834567.db2.gz WJBLFOZWVNJZTE-NEPJUHHUSA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1ccnc(N2CCC[N@@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372593477 418886249 /nfs/dbraw/zinc/88/62/49/418886249.db2.gz MBSFLHUGWVRQBJ-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000411915461 419481024 /nfs/dbraw/zinc/48/10/24/419481024.db2.gz ZHDQRJLCOIWNPI-AWEZNQCLSA-N 1 1 321.377 1.440 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411916176 419481445 /nfs/dbraw/zinc/48/14/45/419481445.db2.gz USJQHMNXDZNQDT-UHFFFAOYSA-N 1 1 320.349 1.052 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000421000788 419431531 /nfs/dbraw/zinc/43/15/31/419431531.db2.gz KNIQYJOOQUCFOE-CQSZACIVSA-N 1 1 320.393 1.868 20 5 DDBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000420996870 419435350 /nfs/dbraw/zinc/43/53/50/419435350.db2.gz GHYQFRNBLAXINB-CYBMUJFWSA-N 1 1 306.366 1.220 20 5 DDBDMO COC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411902311 419457200 /nfs/dbraw/zinc/45/72/00/419457200.db2.gz HWZDNIBMBYZMPH-CYBMUJFWSA-N 1 1 307.350 1.131 20 5 DDBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000412092233 419646582 /nfs/dbraw/zinc/64/65/82/419646582.db2.gz VQULFMLJZZQHSR-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)C[NH3+] ZINC000418529905 419861088 /nfs/dbraw/zinc/86/10/88/419861088.db2.gz YJUSDXLMTLYPRU-UHFFFAOYSA-N 1 1 316.308 1.373 20 5 DDBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000429385351 420010717 /nfs/dbraw/zinc/01/07/17/420010717.db2.gz VKKVSZITFJTDHW-ZDUSSCGKSA-N 1 1 307.398 1.598 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430237706 420094958 /nfs/dbraw/zinc/09/49/58/420094958.db2.gz PKCYTMKOQBPCKU-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420585841 420323541 /nfs/dbraw/zinc/32/35/41/420323541.db2.gz NFSGGRGPYRQTGY-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420644194 420340271 /nfs/dbraw/zinc/34/02/71/420340271.db2.gz WPTKCXMHFVYUJP-OAHLLOKOSA-N 1 1 304.350 1.226 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420740720 420374660 /nfs/dbraw/zinc/37/46/60/420374660.db2.gz RVLJXDFMYDXACA-LBPRGKRZSA-N 1 1 313.379 1.310 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425504906 420403453 /nfs/dbraw/zinc/40/34/53/420403453.db2.gz XOBLWHNGIPACMW-CQSZACIVSA-N 1 1 317.349 1.902 20 5 DDBDMO CN(C)C[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317126 420448861 /nfs/dbraw/zinc/44/88/61/420448861.db2.gz VRMGPQYHQCLVCJ-GDBMZVCRSA-N 1 1 307.394 1.874 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000492360628 420534261 /nfs/dbraw/zinc/53/42/61/420534261.db2.gz ACFCCODOJHHAJV-HJWRWDBZSA-N 1 1 301.346 1.986 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457105359 420614648 /nfs/dbraw/zinc/61/46/48/420614648.db2.gz CDMQILOOSYOQDT-LBPRGKRZSA-N 1 1 309.370 1.041 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492988042 420728526 /nfs/dbraw/zinc/72/85/26/420728526.db2.gz NPYRFTZVECOGRS-FWWRYZNZSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492988042 420728529 /nfs/dbraw/zinc/72/85/29/420728529.db2.gz NPYRFTZVECOGRS-FWWRYZNZSA-N 1 1 319.361 1.133 20 5 DDBDMO CC1=CC[N@@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447682815 420793836 /nfs/dbraw/zinc/79/38/36/420793836.db2.gz KFTUJRGQDHTKTG-UHFFFAOYSA-N 1 1 301.350 1.957 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455095374 420968337 /nfs/dbraw/zinc/96/83/37/420968337.db2.gz TWHJABRFRGVTEQ-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455095374 420968339 /nfs/dbraw/zinc/96/83/39/420968339.db2.gz TWHJABRFRGVTEQ-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO CNc1nc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000454921238 420943085 /nfs/dbraw/zinc/94/30/85/420943085.db2.gz IIBVGGFIJGPVST-JTQLQIEISA-N 1 1 319.365 1.246 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000449433159 421010576 /nfs/dbraw/zinc/01/05/76/421010576.db2.gz LASCQXKMVCSYIC-FVQBIDKESA-N 1 1 306.362 1.957 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494261 421030760 /nfs/dbraw/zinc/03/07/60/421030760.db2.gz DDJFZZMCEULKSW-ONGXEEELSA-N 1 1 317.349 1.285 20 5 DDBDMO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449635816 421041466 /nfs/dbraw/zinc/04/14/66/421041466.db2.gz CHSPHBDNIFPSKI-ZJUUUORDSA-N 1 1 317.349 1.718 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000456362495 421149913 /nfs/dbraw/zinc/14/99/13/421149913.db2.gz WPZUVFKJQZKYPL-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450588459 421212926 /nfs/dbraw/zinc/21/29/26/421212926.db2.gz BIMRBXQMUFZSPM-GFCCVEGCSA-N 1 1 311.386 1.378 20 5 DDBDMO C[C@H]1COCCN1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525802642 421302969 /nfs/dbraw/zinc/30/29/69/421302969.db2.gz YTPFSXFTEOFNOK-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H]1COCCN1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525802642 421302972 /nfs/dbraw/zinc/30/29/72/421302972.db2.gz YTPFSXFTEOFNOK-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000545398076 421257650 /nfs/dbraw/zinc/25/76/50/421257650.db2.gz VVKUQCMDSUHHOO-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000545398076 421257651 /nfs/dbraw/zinc/25/76/51/421257651.db2.gz VVKUQCMDSUHHOO-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000564362042 421583830 /nfs/dbraw/zinc/58/38/30/421583830.db2.gz GGUUZJVXJNHHOG-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000564362042 421583833 /nfs/dbraw/zinc/58/38/33/421583833.db2.gz GGUUZJVXJNHHOG-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518026771 421637063 /nfs/dbraw/zinc/63/70/63/421637063.db2.gz FJNRDLUWOGRPPM-JTQLQIEISA-N 1 1 309.370 1.340 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000520065303 421738798 /nfs/dbraw/zinc/73/87/98/421738798.db2.gz RKEMPGWJNQTONA-JTQLQIEISA-N 1 1 307.354 1.231 20 5 DDBDMO Nc1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000596481103 422377353 /nfs/dbraw/zinc/37/73/53/422377353.db2.gz XIMMDSJEFSDMQS-NSHDSACASA-N 1 1 305.382 2.391 20 5 DDBDMO Cc1ccnc(NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000609669393 422463596 /nfs/dbraw/zinc/46/35/96/422463596.db2.gz YXAXNTMDDMGLKT-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000341583120 271127160 /nfs/dbraw/zinc/12/71/60/271127160.db2.gz UISULLXAWUIHOU-GXTWGEPZSA-N 1 1 307.350 1.257 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000341786137 271213000 /nfs/dbraw/zinc/21/30/00/271213000.db2.gz BFBIXHMGELJBRO-LLVKDONJSA-N 1 1 309.370 1.079 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000341786137 271213002 /nfs/dbraw/zinc/21/30/02/271213002.db2.gz BFBIXHMGELJBRO-LLVKDONJSA-N 1 1 309.370 1.079 20 5 DDBDMO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343440388 271772808 /nfs/dbraw/zinc/77/28/08/271772808.db2.gz NWTSFKVDJLDUCF-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343440388 271772811 /nfs/dbraw/zinc/77/28/11/271772811.db2.gz NWTSFKVDJLDUCF-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968820 274338259 /nfs/dbraw/zinc/33/82/59/274338259.db2.gz VHDAEBSRGVCDHV-BXUZGUMPSA-N 1 1 319.361 1.514 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c2nonc21 ZINC000291000356 275036415 /nfs/dbraw/zinc/03/64/15/275036415.db2.gz UZSIWFMZQYFKHA-UHFFFAOYSA-N 1 1 315.293 1.181 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000331225060 276178597 /nfs/dbraw/zinc/17/85/97/276178597.db2.gz XLPFUVDJYLDVTB-JTQLQIEISA-N 1 1 309.370 1.655 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284896891 295254494 /nfs/dbraw/zinc/25/44/94/295254494.db2.gz HHRAINCVHLNRLZ-LSDHHAIUSA-N 1 1 307.350 1.513 20 5 DDBDMO C[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000354205239 298363271 /nfs/dbraw/zinc/36/32/71/298363271.db2.gz QVVHZJYVJUNCGR-UWVGGRQHSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000354205239 298363273 /nfs/dbraw/zinc/36/32/73/298363273.db2.gz QVVHZJYVJUNCGR-UWVGGRQHSA-N 1 1 321.333 1.992 20 5 DDBDMO COCCCOC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355329945 298715781 /nfs/dbraw/zinc/71/57/81/298715781.db2.gz BKALJIFYVFHIOA-UHFFFAOYSA-N 1 1 312.370 1.346 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000357312604 299005988 /nfs/dbraw/zinc/00/59/88/299005988.db2.gz JNAMULTUGNQHIS-VHSXEESVSA-N 1 1 305.338 1.127 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363265560 300241787 /nfs/dbraw/zinc/24/17/87/300241787.db2.gz FYFAKBOAEKPFSW-LSDHHAIUSA-N 1 1 319.361 1.117 20 5 DDBDMO COc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000368688240 301075565 /nfs/dbraw/zinc/07/55/65/301075565.db2.gz NQIQNYIGILDBSQ-NSHDSACASA-N 1 1 302.334 1.974 20 5 DDBDMO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012207 301119213 /nfs/dbraw/zinc/11/92/13/301119213.db2.gz UMXJYJZBBXLXBR-OCCSQVGLSA-N 1 1 312.370 1.214 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377495281 302185844 /nfs/dbraw/zinc/18/58/44/302185844.db2.gz XOEWUGZNLFBFSR-LLVKDONJSA-N 1 1 320.349 1.121 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000377791133 302233851 /nfs/dbraw/zinc/23/38/51/302233851.db2.gz ZDLPFZIAUNBWFZ-TZMCWYRMSA-N 1 1 306.366 1.825 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000532078037 303274918 /nfs/dbraw/zinc/27/49/18/303274918.db2.gz IJQDDULYVBYBNF-QMTHXVAHSA-N 1 1 318.377 1.849 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1COCC2 ZINC000369541924 307122999 /nfs/dbraw/zinc/12/29/99/307122999.db2.gz QYFXWDORHVYPQE-XJKSGUPXSA-N 1 1 320.345 1.606 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000372658340 307172722 /nfs/dbraw/zinc/17/27/22/307172722.db2.gz YAFABQJYWLYJIZ-ZNMIVQPWSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000372658340 307172723 /nfs/dbraw/zinc/17/27/23/307172723.db2.gz YAFABQJYWLYJIZ-ZNMIVQPWSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000372658340 307172724 /nfs/dbraw/zinc/17/27/24/307172724.db2.gz YAFABQJYWLYJIZ-ZNMIVQPWSA-N 1 1 303.362 1.432 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169269 308022861 /nfs/dbraw/zinc/02/28/61/308022861.db2.gz GBXMZLOQTJFXNC-SWLSCSKDSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169269 308022862 /nfs/dbraw/zinc/02/28/62/308022862.db2.gz GBXMZLOQTJFXNC-SWLSCSKDSA-N 1 1 311.382 1.185 20 5 DDBDMO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773014 308201796 /nfs/dbraw/zinc/20/17/96/308201796.db2.gz VNCBMWOVCGFFFK-RYUDHWBXSA-N 1 1 306.366 1.735 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000573452006 308241019 /nfs/dbraw/zinc/24/10/19/308241019.db2.gz ZUPJPSZVPFHQSS-AWEZNQCLSA-N 1 1 319.361 1.913 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000573452006 308241021 /nfs/dbraw/zinc/24/10/21/308241021.db2.gz ZUPJPSZVPFHQSS-AWEZNQCLSA-N 1 1 319.361 1.913 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361591240 484521398 /nfs/dbraw/zinc/52/13/98/484521398.db2.gz YPNRDUHHDYWNKI-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248541849 500915906 /nfs/dbraw/zinc/91/59/06/500915906.db2.gz IIRBZIFUPCGPBY-GRYCIOLGSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248541849 500915908 /nfs/dbraw/zinc/91/59/08/500915908.db2.gz IIRBZIFUPCGPBY-GRYCIOLGSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295590746 534336166 /nfs/dbraw/zinc/33/61/66/534336166.db2.gz WMLXICCTHVVEFC-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc3ncc([N+](=O)[O-])n3n1)C2 ZINC000302608003 534506780 /nfs/dbraw/zinc/50/67/80/534506780.db2.gz BBWPRLXXJQINGK-SNVBAGLBSA-N 1 1 313.321 1.569 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423970378 534773460 /nfs/dbraw/zinc/77/34/60/534773460.db2.gz MPODFTZMXSAGAE-LBPRGKRZSA-N 1 1 318.358 1.838 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@@H+](C3CC3)CCO1)CCN2 ZINC000302483513 534884131 /nfs/dbraw/zinc/88/41/31/534884131.db2.gz XAXPIRQEDRDPAR-LBPRGKRZSA-N 1 1 318.377 1.838 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1C[N@H+](C3CC3)CCO1)CCN2 ZINC000302483513 534884134 /nfs/dbraw/zinc/88/41/34/534884134.db2.gz XAXPIRQEDRDPAR-LBPRGKRZSA-N 1 1 318.377 1.838 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451947751 527787071 /nfs/dbraw/zinc/78/70/71/527787071.db2.gz QGWASUNRLGRKAN-BXUZGUMPSA-N 1 1 314.313 1.636 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299299584 527795343 /nfs/dbraw/zinc/79/53/43/527795343.db2.gz ZGWUAKPOBWVKBG-UHFFFAOYSA-N 1 1 310.354 1.354 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293249157 527903047 /nfs/dbraw/zinc/90/30/47/527903047.db2.gz LYMRGMPUKVYWSK-JKSUJKDBSA-N 1 1 305.378 1.890 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000444616868 528934353 /nfs/dbraw/zinc/93/43/53/528934353.db2.gz DXKLEKWLYKBHCL-UHFFFAOYSA-N 1 1 323.397 1.420 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000298141187 529134186 /nfs/dbraw/zinc/13/41/86/529134186.db2.gz MNQMKMCIQFRFQN-UHFFFAOYSA-N 1 1 322.321 1.589 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821266279 599146666 /nfs/dbraw/zinc/14/66/66/599146666.db2.gz AHBYSYNQZJGTGY-SECBINFHSA-N 1 1 318.341 1.066 20 5 DDBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820664758 599590371 /nfs/dbraw/zinc/59/03/71/599590371.db2.gz BQDHMOSQSCXTNL-VHSXEESVSA-N 1 1 317.353 1.670 20 5 DDBDMO COCC[NH+](CCOC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000083104704 696550753 /nfs/dbraw/zinc/55/07/53/696550753.db2.gz VIRGCUAECNYSFP-UHFFFAOYSA-N 1 1 308.338 1.497 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000748350072 700112562 /nfs/dbraw/zinc/11/25/62/700112562.db2.gz NJFYHHMKNLRXBR-NSHDSACASA-N 1 1 317.349 1.107 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000748350072 700112563 /nfs/dbraw/zinc/11/25/63/700112563.db2.gz NJFYHHMKNLRXBR-NSHDSACASA-N 1 1 317.349 1.107 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000170686140 697348652 /nfs/dbraw/zinc/34/86/52/697348652.db2.gz KIFQKSHIBIVVQP-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO C[C@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000172494547 697368368 /nfs/dbraw/zinc/36/83/68/697368368.db2.gz DBSJCIXCPMOKBA-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000172494547 697368370 /nfs/dbraw/zinc/36/83/70/697368370.db2.gz DBSJCIXCPMOKBA-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1c[nH+]ccc1OC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000773342963 697747391 /nfs/dbraw/zinc/74/73/91/697747391.db2.gz XVJSNMWEWAOWBQ-UHFFFAOYSA-N 1 1 317.349 1.996 20 5 DDBDMO COCC[NH+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749937290 700192810 /nfs/dbraw/zinc/19/28/10/700192810.db2.gz LXBLEWNHAVZRLR-UHFFFAOYSA-N 1 1 323.353 1.200 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594041 698124709 /nfs/dbraw/zinc/12/47/09/698124709.db2.gz RZAKMXGHKGMOAD-BBRMVZONSA-N 1 1 321.377 1.428 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262534280 698473548 /nfs/dbraw/zinc/47/35/48/698473548.db2.gz QAUGDRVPDOWLRX-KGLIPLIRSA-N 1 1 304.394 1.635 20 5 DDBDMO COC[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000739872356 699781514 /nfs/dbraw/zinc/78/15/14/699781514.db2.gz PKUUYEBUYOYMSI-SNVBAGLBSA-N 1 1 307.306 1.429 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000739872356 699781515 /nfs/dbraw/zinc/78/15/15/699781515.db2.gz PKUUYEBUYOYMSI-SNVBAGLBSA-N 1 1 307.306 1.429 20 5 DDBDMO CC[N@@H+](CCc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744389771 699947310 /nfs/dbraw/zinc/94/73/10/699947310.db2.gz JYSBOQMZANVFFS-OAHLLOKOSA-N 1 1 319.365 1.112 20 5 DDBDMO Cc1nn(C[N@H+](C)CCOCC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000755946718 700594794 /nfs/dbraw/zinc/59/47/94/700594794.db2.gz PZSWTTMTKRNOTL-UHFFFAOYSA-N 1 1 319.365 1.964 20 5 DDBDMO Cc1nn(C[N@@H+](C)CCOCC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000755946718 700594795 /nfs/dbraw/zinc/59/47/95/700594795.db2.gz PZSWTTMTKRNOTL-UHFFFAOYSA-N 1 1 319.365 1.964 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660904 701770760 /nfs/dbraw/zinc/77/07/60/701770760.db2.gz ZLENMCAUWWDJEH-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660904 701770763 /nfs/dbraw/zinc/77/07/63/701770763.db2.gz ZLENMCAUWWDJEH-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660904 701770769 /nfs/dbraw/zinc/77/07/69/701770769.db2.gz ZLENMCAUWWDJEH-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660904 701770775 /nfs/dbraw/zinc/77/07/75/701770775.db2.gz ZLENMCAUWWDJEH-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660904 701770781 /nfs/dbraw/zinc/77/07/81/701770781.db2.gz ZLENMCAUWWDJEH-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041627 702320008 /nfs/dbraw/zinc/32/00/08/702320008.db2.gz BRYSXVCUNJOPQD-AWEZNQCLSA-N 1 1 304.394 1.905 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879361315 706660966 /nfs/dbraw/zinc/66/09/66/706660966.db2.gz CLDOSCIURGSEBE-GXTWGEPZSA-N 1 1 310.350 1.039 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848785890 703588932 /nfs/dbraw/zinc/58/89/32/703588932.db2.gz AUTOQSRLJMAAJS-UHFFFAOYSA-N 1 1 305.294 1.324 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000852432694 704045449 /nfs/dbraw/zinc/04/54/49/704045449.db2.gz NXNFLGZXRVLXBC-LBPRGKRZSA-N 1 1 321.333 1.500 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000819341953 704110624 /nfs/dbraw/zinc/11/06/24/704110624.db2.gz VBGSQTHXUGGRMG-LBPRGKRZSA-N 1 1 303.322 1.414 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000870885055 704157110 /nfs/dbraw/zinc/15/71/10/704157110.db2.gz AGLRRNHDFYEVGA-PEYYIBSZSA-N 1 1 321.377 1.795 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000854736991 704446202 /nfs/dbraw/zinc/44/62/02/704446202.db2.gz LYOMOEWBTJYUQY-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000832774716 706981271 /nfs/dbraw/zinc/98/12/71/706981271.db2.gz AFIBRHMTFNNLPY-ZNMIVQPWSA-N 1 1 306.362 1.985 20 5 DDBDMO COc1cc(COC(=O)Cn2c[nH+]cc2C)c([N+](=O)[O-])cc1F ZINC000859947525 705050139 /nfs/dbraw/zinc/05/01/39/705050139.db2.gz IGQOWTMEIQRQTL-UHFFFAOYSA-N 1 1 323.280 1.991 20 5 DDBDMO C[C@H]([C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCOCC1 ZINC000823130186 705148198 /nfs/dbraw/zinc/14/81/98/705148198.db2.gz VRWYNQLYUVLKFJ-NWDGAFQWSA-N 1 1 301.387 1.047 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851037 705204064 /nfs/dbraw/zinc/20/40/64/705204064.db2.gz ZCGGRJPAIMYLEC-STQMWFEESA-N 1 1 319.361 1.669 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCN(CC4CC4)CC3)C2)c1 ZINC000876946726 705933971 /nfs/dbraw/zinc/93/39/71/705933971.db2.gz PUICRFBXMJIPAQ-UHFFFAOYSA-N 1 1 319.409 1.959 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827313251 705973042 /nfs/dbraw/zinc/97/30/42/705973042.db2.gz YVPSQBRDAZHKJP-CMPLNLGQSA-N 1 1 304.350 1.343 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000827330865 705977540 /nfs/dbraw/zinc/97/75/40/705977540.db2.gz SKINIXDAJLKNPX-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608179 706158072 /nfs/dbraw/zinc/15/80/72/706158072.db2.gz ODRSQNPIKDUHAW-OLZOCXBDSA-N 1 1 322.361 1.567 20 5 DDBDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000877713923 706185995 /nfs/dbraw/zinc/18/59/95/706185995.db2.gz IUTWEJJGPKWZGY-OAHLLOKOSA-N 1 1 319.317 1.489 20 5 DDBDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000877713923 706185996 /nfs/dbraw/zinc/18/59/96/706185996.db2.gz IUTWEJJGPKWZGY-OAHLLOKOSA-N 1 1 319.317 1.489 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000877789311 706213799 /nfs/dbraw/zinc/21/37/99/706213799.db2.gz IENXCGBOHLGGCA-KGLIPLIRSA-N 1 1 324.402 1.504 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000877789311 706213801 /nfs/dbraw/zinc/21/38/01/706213801.db2.gz IENXCGBOHLGGCA-KGLIPLIRSA-N 1 1 324.402 1.504 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880059590 706866553 /nfs/dbraw/zinc/86/65/53/706866553.db2.gz JKGZKGXQDKMUFS-ONGXEEELSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880059590 706866556 /nfs/dbraw/zinc/86/65/56/706866556.db2.gz JKGZKGXQDKMUFS-ONGXEEELSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000880092290 706876641 /nfs/dbraw/zinc/87/66/41/706876641.db2.gz KUGFSCXXOAFTID-AVGNSLFASA-N 1 1 321.377 1.881 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137801 706887775 /nfs/dbraw/zinc/88/77/75/706887775.db2.gz KVMDWBWLQJUECK-XHSDSOJGSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137801 706887779 /nfs/dbraw/zinc/88/77/79/706887779.db2.gz KVMDWBWLQJUECK-XHSDSOJGSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137801 706887781 /nfs/dbraw/zinc/88/77/81/706887781.db2.gz KVMDWBWLQJUECK-XHSDSOJGSA-N 1 1 305.378 1.797 20 5 DDBDMO CC(C)(CCC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)[N+](=O)[O-] ZINC000834591780 707090671 /nfs/dbraw/zinc/09/06/71/707090671.db2.gz DMTSSYMXDJAHGX-NEPJUHHUSA-N 1 1 301.362 1.467 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781392 707597463 /nfs/dbraw/zinc/59/74/63/707597463.db2.gz SNOOOTIVEXZASB-NWDGAFQWSA-N 1 1 301.350 1.915 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)n2)c1 ZINC000872784935 707600185 /nfs/dbraw/zinc/60/01/85/707600185.db2.gz IFWFBJHZGLRACD-BETUJISGSA-N 1 1 315.333 1.389 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000882958643 707871913 /nfs/dbraw/zinc/87/19/13/707871913.db2.gz GSTDBKOBVRMNFN-SSDOTTSWSA-N 1 1 307.276 1.853 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896915514 708181500 /nfs/dbraw/zinc/18/15/00/708181500.db2.gz YXPJRWIENVUYHH-ABAIWWIYSA-N 1 1 301.350 1.630 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897222716 708260422 /nfs/dbraw/zinc/26/04/22/708260422.db2.gz XANUFHXQVMLLHZ-OLZOCXBDSA-N 1 1 309.341 1.769 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000884824037 708387598 /nfs/dbraw/zinc/38/75/98/708387598.db2.gz ONQSXCRRNDEVSB-UHFFFAOYSA-N 1 1 318.171 1.693 20 5 DDBDMO O=C([C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886006209 708680378 /nfs/dbraw/zinc/68/03/78/708680378.db2.gz OPRCKTIAHXVMCG-AWEZNQCLSA-N 1 1 318.377 1.824 20 5 DDBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886019401 708682375 /nfs/dbraw/zinc/68/23/75/708682375.db2.gz SQJZJIXTLDFVHI-ZIAGYGMSSA-N 1 1 321.377 1.742 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886080684 708694538 /nfs/dbraw/zinc/69/45/38/708694538.db2.gz FRGSVHKJLUURLP-UHFFFAOYSA-N 1 1 302.338 1.046 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886193737 708712558 /nfs/dbraw/zinc/71/25/58/708712558.db2.gz BEAYUAXAQMBYDC-ZDUSSCGKSA-N 1 1 306.366 1.871 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000886218089 708717314 /nfs/dbraw/zinc/71/73/14/708717314.db2.gz NLPLQUYCZQQLDN-UONOGXRCSA-N 1 1 306.366 1.285 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC12COC2 ZINC000886220886 708718114 /nfs/dbraw/zinc/71/81/14/708718114.db2.gz OVFXXJIQSVDNEI-LBPRGKRZSA-N 1 1 321.333 1.001 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC12COC2 ZINC000886220886 708718115 /nfs/dbraw/zinc/71/81/15/708718115.db2.gz OVFXXJIQSVDNEI-LBPRGKRZSA-N 1 1 321.333 1.001 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912612771 713050928 /nfs/dbraw/zinc/05/09/28/713050928.db2.gz QTZJTPJABAFVFX-UHFFFAOYSA-N 1 1 309.366 1.208 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000886285640 708735729 /nfs/dbraw/zinc/73/57/29/708735729.db2.gz OQXSUKGFQBRCLE-AWEZNQCLSA-N 1 1 306.366 1.021 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403310 709037662 /nfs/dbraw/zinc/03/76/62/709037662.db2.gz SZEOWTDITPDZOM-WFASDCNBSA-N 1 1 321.377 1.535 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403310 709037666 /nfs/dbraw/zinc/03/76/66/709037666.db2.gz SZEOWTDITPDZOM-WFASDCNBSA-N 1 1 321.377 1.535 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890078521 709738210 /nfs/dbraw/zinc/73/82/10/709738210.db2.gz FYQRNQDSEQRBPR-UHFFFAOYSA-N 1 1 309.370 1.098 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000910203564 709812871 /nfs/dbraw/zinc/81/28/71/709812871.db2.gz BGHHVUMTZIVGOT-LBPRGKRZSA-N 1 1 310.354 1.517 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910296270 709873782 /nfs/dbraw/zinc/87/37/82/709873782.db2.gz UIZVOGHYMIOHEM-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911477203 710814214 /nfs/dbraw/zinc/81/42/14/710814214.db2.gz UEYYNIMRRBDYFC-GFCCVEGCSA-N 1 1 313.304 1.974 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911477203 710814218 /nfs/dbraw/zinc/81/42/18/710814218.db2.gz UEYYNIMRRBDYFC-GFCCVEGCSA-N 1 1 313.304 1.974 20 5 DDBDMO COc1c(O)ccc(C[NH2+]CC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000893884186 710874015 /nfs/dbraw/zinc/87/40/15/710874015.db2.gz CDGZFSDMGGMGLH-UHFFFAOYSA-N 1 1 309.366 1.883 20 5 DDBDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCF ZINC000894256004 711039057 /nfs/dbraw/zinc/03/90/57/711039057.db2.gz AUZAUZYLDNUXES-QMMMGPOBSA-N 1 1 303.721 1.812 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000928555322 713224458 /nfs/dbraw/zinc/22/44/58/713224458.db2.gz OJIUNTCRXHZXRV-LBPRGKRZSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000928555322 713224460 /nfs/dbraw/zinc/22/44/60/713224460.db2.gz OJIUNTCRXHZXRV-LBPRGKRZSA-N 1 1 315.333 1.214 20 5 DDBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895777739 711604192 /nfs/dbraw/zinc/60/41/92/711604192.db2.gz WVGVSDPGOHAWBY-FUEXJSSKSA-N 1 1 305.334 1.897 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896519869 711737265 /nfs/dbraw/zinc/73/72/65/711737265.db2.gz YPRMXKXJGZEQAI-CYBMUJFWSA-N 1 1 306.366 1.963 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000913933880 713321906 /nfs/dbraw/zinc/32/19/06/713321906.db2.gz USZZDXSDUPAFSR-NEPJUHHUSA-N 1 1 321.381 1.399 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC12CCCCC2 ZINC000908571233 712809843 /nfs/dbraw/zinc/80/98/43/712809843.db2.gz SYPBPAHGVRENOV-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCc2ccncc2)CC1 ZINC000915218209 713413249 /nfs/dbraw/zinc/41/32/49/713413249.db2.gz SMSXFTOIWWNABN-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCn3cc[nH+]c32)c1 ZINC000931520502 714118402 /nfs/dbraw/zinc/11/84/02/714118402.db2.gz WMBCQYSZCKUPHL-UHFFFAOYSA-N 1 1 302.290 1.598 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000923269980 714291695 /nfs/dbraw/zinc/29/16/95/714291695.db2.gz ZRGHPXFMLZUMKE-VHSXEESVSA-N 1 1 322.340 1.625 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923889613 714485046 /nfs/dbraw/zinc/48/50/46/714485046.db2.gz AKGGMBOXANOCDW-GFCCVEGCSA-N 1 1 310.354 1.516 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2COCC[C@H]2OC)c1 ZINC000934035399 714727449 /nfs/dbraw/zinc/72/74/49/714727449.db2.gz MGSOZBOTCAIYMR-TZMCWYRMSA-N 1 1 324.333 1.275 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693902 715118428 /nfs/dbraw/zinc/11/84/28/715118428.db2.gz DRRDRDRBMWDWKK-CLWVCHIJSA-N 1 1 315.373 1.718 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164643045 719178088 /nfs/dbraw/zinc/17/80/88/719178088.db2.gz YWMJDCJFZDVXNV-VHSXEESVSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164643045 719178093 /nfs/dbraw/zinc/17/80/93/719178093.db2.gz YWMJDCJFZDVXNV-VHSXEESVSA-N 1 1 308.338 1.305 20 5 DDBDMO O=[N+]([O-])c1ccccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001120922924 782237512 /nfs/dbraw/zinc/23/75/12/782237512.db2.gz TWQQVZAEQJTRLP-SWLSCSKDSA-N 1 1 307.350 1.232 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001121389461 782487558 /nfs/dbraw/zinc/48/75/58/782487558.db2.gz SBVMYGZGDPWITD-UTUOFQBUSA-N 1 1 310.402 1.319 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C(F)F ZINC001025643197 736807015 /nfs/dbraw/zinc/80/70/15/736807015.db2.gz GSTWLQLQNDQJJZ-GDNZZTSVSA-N 1 1 311.288 1.406 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(F)cc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126932390 742777039 /nfs/dbraw/zinc/77/70/39/742777039.db2.gz VNUROQTXRKHPND-ZYHUDNBSSA-N 1 1 315.732 1.350 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)CC(F)F)nc2c1 ZINC001180865676 742970905 /nfs/dbraw/zinc/97/09/05/742970905.db2.gz QVDGKBNVEDPOBZ-ZETCQYMHSA-N 1 1 301.249 1.842 20 5 DDBDMO O=C(Cc1cnc[nH]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110356643 744156883 /nfs/dbraw/zinc/15/68/83/744156883.db2.gz HAOJRBZTKBJOIC-UHFFFAOYSA-N 1 1 315.333 1.621 20 5 DDBDMO CCn1cc2c(n1)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@H]2COC ZINC001169019274 762199458 /nfs/dbraw/zinc/19/94/58/762199458.db2.gz HCZSONFZAQHBIR-MELADBBJSA-N 1 1 322.409 1.894 20 5 DDBDMO CCn1cc2c(n1)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C[C@H]2COC ZINC001169019274 762199461 /nfs/dbraw/zinc/19/94/61/762199461.db2.gz HCZSONFZAQHBIR-MELADBBJSA-N 1 1 322.409 1.894 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024541 762202278 /nfs/dbraw/zinc/20/22/78/762202278.db2.gz WWLWBWAIEZAOJF-FRRDWIJNSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024541 762202282 /nfs/dbraw/zinc/20/22/82/762202282.db2.gz WWLWBWAIEZAOJF-FRRDWIJNSA-N 1 1 323.397 1.289 20 5 DDBDMO COc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053579 762208697 /nfs/dbraw/zinc/20/86/97/762208697.db2.gz IZFUONYPSVFUIN-MELADBBJSA-N 1 1 321.377 1.989 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328656 766253785 /nfs/dbraw/zinc/25/37/85/766253785.db2.gz LAVBFPYZKLLBAD-LYRGGWFBSA-N 1 1 324.377 1.880 20 5 DDBDMO COc1ccc(C[C@@H](C)N2CC[N@H+]3CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170355645 766261940 /nfs/dbraw/zinc/26/19/40/766261940.db2.gz NNVKFSAQQBSHDU-OCCSQVGLSA-N 1 1 305.378 1.924 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc(OC)c([N+](=O)[O-])n1 ZINC001170513021 767721206 /nfs/dbraw/zinc/72/12/06/767721206.db2.gz DRFMGRDOXFGWPI-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO CCC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001096244344 768743372 /nfs/dbraw/zinc/74/33/72/768743372.db2.gz XPEKZYJZFOCUIH-UHFFFAOYSA-N 1 1 321.381 1.028 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093953258 775262051 /nfs/dbraw/zinc/26/20/51/775262051.db2.gz TUUUEYDUWXQNIN-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094008182 775324454 /nfs/dbraw/zinc/32/44/54/775324454.db2.gz GTNZKLYXEYQKJK-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO COC(=O)[C@H](CN)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901368 776916270 /nfs/dbraw/zinc/91/62/70/776916270.db2.gz MLFIQNNPCBLZCV-ZIAGYGMSSA-N 1 1 321.377 1.180 20 5 DDBDMO C[C@]1(O)COCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906389 776916862 /nfs/dbraw/zinc/91/68/62/776916862.db2.gz XPBWHHXHGSSTGE-DOTOQJQBSA-N 1 1 320.389 1.925 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CO)COC2)c1F ZINC001173190420 777036600 /nfs/dbraw/zinc/03/66/00/777036600.db2.gz XTNYQYWWNPQXFX-VIFPVBQESA-N 1 1 314.313 1.024 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101705837 777416019 /nfs/dbraw/zinc/41/60/19/777416019.db2.gz ZKFKBXVOURFXEI-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101875262 777633191 /nfs/dbraw/zinc/63/31/91/777633191.db2.gz QSUGWABROSONLL-UHFFFAOYSA-N 1 1 318.337 1.065 20 5 DDBDMO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[N@@H+](C)C1CCC1 ZINC001102017452 777799825 /nfs/dbraw/zinc/79/98/25/777799825.db2.gz ZJUMXHQSXWMAHF-UHFFFAOYSA-N 1 1 321.381 1.344 20 5 DDBDMO Cc1nc(NC[C@@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001120064187 781745192 /nfs/dbraw/zinc/74/51/92/781745192.db2.gz CQTAFMAIWZMSNU-LBPRGKRZSA-N 1 1 307.354 1.358 20 5 DDBDMO Cc1ncc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001266660417 836609394 /nfs/dbraw/zinc/60/93/94/836609394.db2.gz NPGIRKFXXSGIHV-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO CN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696607 836684946 /nfs/dbraw/zinc/68/49/46/836684946.db2.gz NHSXKLLTACZBJS-NXEZZACHSA-N 1 1 311.304 1.432 20 5 DDBDMO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001268790466 840816423 /nfs/dbraw/zinc/81/64/23/840816423.db2.gz FZZYBBVYUWLPLW-CHWSQXEVSA-N 1 1 311.407 1.660 20 5 DDBDMO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC001326489243 861402997 /nfs/dbraw/zinc/40/29/97/861402997.db2.gz PLPNIQUVRHFISD-ZIAGYGMSSA-N 1 1 307.350 1.181 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001156379242 862988269 /nfs/dbraw/zinc/98/82/69/862988269.db2.gz RJLOIPHKNPNBSP-LLVKDONJSA-N 1 1 309.370 1.846 20 5 DDBDMO C[N@H+]1CCC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986808 881624858 /nfs/dbraw/zinc/62/48/58/881624858.db2.gz KKFKGSNVSNHFBG-AWEZNQCLSA-N 1 1 308.334 1.749 20 5 DDBDMO CC(C)[NH+]1CC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224987416 881625747 /nfs/dbraw/zinc/62/57/47/881625747.db2.gz QWGPMKPCXVSSGY-UHFFFAOYSA-N 1 1 308.334 1.747 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)n1 ZINC001157282398 863709714 /nfs/dbraw/zinc/70/97/14/863709714.db2.gz NBWPIYZLELCEHC-MFKMUULPSA-N 1 1 320.349 1.307 20 5 DDBDMO O=C(NCCC[NH2+]Cc1cccc(F)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC001157767206 864118007 /nfs/dbraw/zinc/11/80/07/864118007.db2.gz JNFFAQPJNOCHPL-ZYHUDNBSSA-N 1 1 313.304 1.226 20 5 DDBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001331509147 865124880 /nfs/dbraw/zinc/12/48/80/865124880.db2.gz RAHXBKNDRZTJDA-QXMXGUDHSA-N 1 1 316.365 1.893 20 5 DDBDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001331509147 865124881 /nfs/dbraw/zinc/12/48/81/865124881.db2.gz RAHXBKNDRZTJDA-QXMXGUDHSA-N 1 1 316.365 1.893 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159884670 865580924 /nfs/dbraw/zinc/58/09/24/865580924.db2.gz JVHDOLJHPXIQHN-GMXVVIOVSA-N 1 1 304.350 1.247 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160160330 865703999 /nfs/dbraw/zinc/70/39/99/865703999.db2.gz JELZJLSSINRPRG-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[NH+]1CCC(F)(F)CC1 ZINC001160752321 866099507 /nfs/dbraw/zinc/09/95/07/866099507.db2.gz NIFKLSMBQYWEQD-UHFFFAOYSA-N 1 1 316.308 1.680 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC001322583453 868262897 /nfs/dbraw/zinc/26/28/97/868262897.db2.gz PTJAXODYVGIGRO-UHFFFAOYSA-N 1 1 314.305 1.892 20 5 DDBDMO C[N@H+]1C[C@@]23CN(c4ccc(N)c([N+](=O)[O-])n4)C[C@]2(C1)CCCC3 ZINC001337352403 869447485 /nfs/dbraw/zinc/44/74/85/869447485.db2.gz CKFLVEQEGGQSAQ-IYBDPMFKSA-N 1 1 317.393 1.884 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001337837203 869651278 /nfs/dbraw/zinc/65/12/78/869651278.db2.gz YYQGGKGDUZPYOX-LEWSCRJBSA-N 1 1 304.350 1.368 20 5 DDBDMO COc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815420 870712100 /nfs/dbraw/zinc/71/21/00/870712100.db2.gz MPDPUAWHOPFNBN-BXUZGUMPSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339815420 870712112 /nfs/dbraw/zinc/71/21/12/870712112.db2.gz MPDPUAWHOPFNBN-BXUZGUMPSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339815420 870712127 /nfs/dbraw/zinc/71/21/27/870712127.db2.gz MPDPUAWHOPFNBN-BXUZGUMPSA-N 1 1 308.382 1.650 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001340011948 870838069 /nfs/dbraw/zinc/83/80/69/870838069.db2.gz MQNPHMVJOQLWAR-LBPRGKRZSA-N 1 1 310.402 1.038 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001303551765 871135781 /nfs/dbraw/zinc/13/57/81/871135781.db2.gz ZTMOBTLPTPGPAG-UHFFFAOYSA-N 1 1 319.296 1.389 20 5 DDBDMO Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317584794 871142347 /nfs/dbraw/zinc/14/23/47/871142347.db2.gz IVZRMBYOCOHKII-ZIAGYGMSSA-N 1 1 309.341 1.347 20 5 DDBDMO Cc1noc(C[C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001308111908 871471815 /nfs/dbraw/zinc/47/18/15/871471815.db2.gz BFGTYOUARRSNCL-LBPRGKRZSA-N 1 1 320.353 1.437 20 5 DDBDMO Cc1cc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC001350262984 875601771 /nfs/dbraw/zinc/60/17/71/875601771.db2.gz UEOJFYLBPGYHGB-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO COc1cc(CO[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001223397124 880946514 /nfs/dbraw/zinc/94/65/14/880946514.db2.gz VMDRJYIHAZEIFR-GFCCVEGCSA-N 1 1 310.350 1.841 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229919006 884231428 /nfs/dbraw/zinc/23/14/28/884231428.db2.gz IKBFPFMUHJYIPY-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229919006 884231445 /nfs/dbraw/zinc/23/14/45/884231445.db2.gz IKBFPFMUHJYIPY-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO [NH3+]Cc1nc(=O)[nH]n1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254467018 896453617 /nfs/dbraw/zinc/45/36/17/896453617.db2.gz RXEFYVJNXAFNDX-UHFFFAOYSA-N 1 1 318.337 1.192 20 5 DDBDMO C[C@]1(CO)C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593351 896521472 /nfs/dbraw/zinc/52/14/72/896521472.db2.gz LILUJHRMWPUFED-ARFHVFGLSA-N 1 1 306.362 1.127 20 5 DDBDMO Cc1cc(N(C(N)=[NH2+])[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[nH]n1 ZINC001254601093 896523784 /nfs/dbraw/zinc/52/37/84/896523784.db2.gz ZEHYKWMLENUYIY-GFCCVEGCSA-N 1 1 300.322 1.494 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597366 896523961 /nfs/dbraw/zinc/52/39/61/896523961.db2.gz CTQRIKUNHMFCLN-BBRMVZONSA-N 1 1 317.389 1.862 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599697 896524345 /nfs/dbraw/zinc/52/43/45/896524345.db2.gz PAFWHLFEUPVTHR-SWLSCSKDSA-N 1 1 304.346 1.947 20 5 DDBDMO CC(=O)N1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254606853 896527093 /nfs/dbraw/zinc/52/70/93/896527093.db2.gz IQWMVIYCBAQFNT-MEDUHNTESA-N 1 1 303.362 1.615 20 5 DDBDMO CC(=O)N1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254606853 896527106 /nfs/dbraw/zinc/52/71/06/896527106.db2.gz IQWMVIYCBAQFNT-MEDUHNTESA-N 1 1 303.362 1.615 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254605777 896528541 /nfs/dbraw/zinc/52/85/41/896528541.db2.gz DLEDTOAFXWNDPE-LKTVYLICSA-N 1 1 304.346 1.803 20 5 DDBDMO CCOC(=O)c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001261493969 899605956 /nfs/dbraw/zinc/60/59/56/899605956.db2.gz ZQNQDQGYLPWBED-UHFFFAOYSA-N 1 1 304.306 1.784 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCOCC1 ZINC000286536019 219041380 /nfs/dbraw/zinc/04/13/80/219041380.db2.gz COPCJJZCPLXHPZ-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCOCC1 ZINC000286536019 219041381 /nfs/dbraw/zinc/04/13/81/219041381.db2.gz COPCJJZCPLXHPZ-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305756636 231041052 /nfs/dbraw/zinc/04/10/52/231041052.db2.gz CTVDNZOZQZCBST-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305756636 231041054 /nfs/dbraw/zinc/04/10/54/231041054.db2.gz CTVDNZOZQZCBST-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000451243687 231044283 /nfs/dbraw/zinc/04/42/83/231044283.db2.gz CJQPZVHGMHOJJH-UHFFFAOYSA-N 1 1 309.366 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC(C)(C)CO ZINC000451243687 231044286 /nfs/dbraw/zinc/04/42/86/231044286.db2.gz CJQPZVHGMHOJJH-UHFFFAOYSA-N 1 1 309.366 1.792 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278783614 214399607 /nfs/dbraw/zinc/39/96/07/214399607.db2.gz DIJKDUIMRPFARB-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000495196475 529572570 /nfs/dbraw/zinc/57/25/70/529572570.db2.gz UQCXNGAEEFFTEL-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000495196475 529572576 /nfs/dbraw/zinc/57/25/76/529572576.db2.gz UQCXNGAEEFFTEL-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000421701039 529949504 /nfs/dbraw/zinc/94/95/04/529949504.db2.gz GRSJOKXTLBVZDW-NSHDSACASA-N 1 1 309.370 1.079 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286724899 219131030 /nfs/dbraw/zinc/13/10/30/219131030.db2.gz XKNFWFYTUWKRAW-NSHDSACASA-N 1 1 306.366 1.220 20 5 DDBDMO COc1c(C(=O)N2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000331025178 232364363 /nfs/dbraw/zinc/36/43/63/232364363.db2.gz AOHBQMMRHCTZKU-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459514629 233267329 /nfs/dbraw/zinc/26/73/29/233267329.db2.gz ARZHDNHVLVMICZ-JKOKRWQUSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459514629 233267336 /nfs/dbraw/zinc/26/73/36/233267336.db2.gz ARZHDNHVLVMICZ-JKOKRWQUSA-N 1 1 305.334 1.245 20 5 DDBDMO Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)ncc1[N+](=O)[O-] ZINC000266846704 186357078 /nfs/dbraw/zinc/35/70/78/186357078.db2.gz PFEBRXBHBDCPCQ-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488753103 233899062 /nfs/dbraw/zinc/89/90/62/233899062.db2.gz QHDPAOIMYJIDDM-NWDGAFQWSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000043085832 352360320 /nfs/dbraw/zinc/36/03/20/352360320.db2.gz FKWORRPFEYYIDH-NEPJUHHUSA-N 1 1 309.370 1.170 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000054644034 352699796 /nfs/dbraw/zinc/69/97/96/352699796.db2.gz BQCROYWIYJURPA-CYBMUJFWSA-N 1 1 306.366 1.531 20 5 DDBDMO CCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072953268 191256835 /nfs/dbraw/zinc/25/68/35/191256835.db2.gz PCMMTXLABUCSNM-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072953268 191256838 /nfs/dbraw/zinc/25/68/38/191256838.db2.gz PCMMTXLABUCSNM-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173405647 198211418 /nfs/dbraw/zinc/21/14/18/198211418.db2.gz LZAICLWYEAUXEV-GFCCVEGCSA-N 1 1 313.379 1.310 20 5 DDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173405647 198211420 /nfs/dbraw/zinc/21/14/20/198211420.db2.gz LZAICLWYEAUXEV-GFCCVEGCSA-N 1 1 313.379 1.310 20 5 DDBDMO O=[N+]([O-])c1cnccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797653 353173663 /nfs/dbraw/zinc/17/36/63/353173663.db2.gz NRBWGYTYOLLMML-CYBMUJFWSA-N 1 1 306.366 1.538 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)C(C)C ZINC000072610944 353204609 /nfs/dbraw/zinc/20/46/09/353204609.db2.gz OSVRGCPACXAOKS-LBPRGKRZSA-N 1 1 309.366 1.933 20 5 DDBDMO O=C(C[NH+]1CCC(CO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076991847 353447153 /nfs/dbraw/zinc/44/71/53/353447153.db2.gz XQBSAEFIYIEJKK-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000587974346 354888102 /nfs/dbraw/zinc/88/81/02/354888102.db2.gz XQNLRKCFLKJRFU-JTQLQIEISA-N 1 1 308.338 1.225 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000587974346 354888104 /nfs/dbraw/zinc/88/81/04/354888104.db2.gz XQNLRKCFLKJRFU-JTQLQIEISA-N 1 1 308.338 1.225 20 5 DDBDMO COc1ccc(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044221 355042553 /nfs/dbraw/zinc/04/25/53/355042553.db2.gz ISKOCPSNGZIHLT-JSGCOSHPSA-N 1 1 319.361 1.308 20 5 DDBDMO C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045679 355043681 /nfs/dbraw/zinc/04/36/81/355043681.db2.gz SVRKMGJNYXVODN-FIXISWKDSA-N 1 1 321.352 2.000 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000590047188 355044312 /nfs/dbraw/zinc/04/43/12/355044312.db2.gz XDJJTURWRTUFNN-BXUZGUMPSA-N 1 1 319.361 1.688 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590446498 355099853 /nfs/dbraw/zinc/09/98/53/355099853.db2.gz VZFCVKRQXNRXCN-GWCFXTLKSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590762310 355170173 /nfs/dbraw/zinc/17/01/73/355170173.db2.gz QLELKNXPOWQLDU-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[N@H+]1C ZINC000591505418 355322048 /nfs/dbraw/zinc/32/20/48/355322048.db2.gz JOFGMUYSXOJDRH-CYBMUJFWSA-N 1 1 321.377 1.892 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000593019059 355771051 /nfs/dbraw/zinc/77/10/51/355771051.db2.gz DGQLKQOJIFOPFB-VXGBXAGGSA-N 1 1 321.377 1.906 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593187839 355820869 /nfs/dbraw/zinc/82/08/69/355820869.db2.gz USWHIQWUFBGJCU-UTUOFQBUSA-N 1 1 309.370 1.121 20 5 DDBDMO [NH3+]CCC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593322963 355853759 /nfs/dbraw/zinc/85/37/59/355853759.db2.gz QPWZONRPTYAYNJ-UHFFFAOYSA-N 1 1 321.377 1.927 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593588731 355935036 /nfs/dbraw/zinc/93/50/36/355935036.db2.gz LXBKQCNUTCIOFL-NHYWBVRUSA-N 1 1 321.352 1.829 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594417365 356203266 /nfs/dbraw/zinc/20/32/66/356203266.db2.gz BZDBOQOBFZCBPD-QWRGUYRKSA-N 1 1 307.354 1.075 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000594571558 356252624 /nfs/dbraw/zinc/25/26/24/356252624.db2.gz QREGUCLXLOXUEE-ZDUSSCGKSA-N 1 1 304.350 1.771 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292270389 222953484 /nfs/dbraw/zinc/95/34/84/222953484.db2.gz ZKZDRYWSRJNYEF-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COC[C@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370251 356468112 /nfs/dbraw/zinc/46/81/12/356468112.db2.gz FYIHJIZBXWPYNJ-YPMHNXCESA-N 1 1 310.354 1.137 20 5 DDBDMO COC(=O)CC1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CCOCC1 ZINC000595385591 356473741 /nfs/dbraw/zinc/47/37/41/356473741.db2.gz YBYBBISYTZSCGC-UHFFFAOYSA-N 1 1 313.310 1.093 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595575691 356558968 /nfs/dbraw/zinc/55/89/68/356558968.db2.gz WHEGWVPPAIVPTF-AWEZNQCLSA-N 1 1 320.393 1.921 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000618210178 363512820 /nfs/dbraw/zinc/51/28/20/363512820.db2.gz SGKBATBAXXJYOA-LBPRGKRZSA-N 1 1 319.361 1.818 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595745626 356633722 /nfs/dbraw/zinc/63/37/22/356633722.db2.gz YSSWJUZDQKGQDK-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1[C@H]([N@H+]2CC[C@@]3(O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595757476 356640213 /nfs/dbraw/zinc/64/02/13/356640213.db2.gz MCSPSAMWCKWMRP-SGIREYDYSA-N 1 1 317.345 1.157 20 5 DDBDMO O=C1[C@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595757476 356640216 /nfs/dbraw/zinc/64/02/16/356640216.db2.gz MCSPSAMWCKWMRP-SGIREYDYSA-N 1 1 317.345 1.157 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595851030 356677115 /nfs/dbraw/zinc/67/71/15/356677115.db2.gz SLRJZDKSBSFALR-PHIMTYICSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595851030 356677119 /nfs/dbraw/zinc/67/71/19/356677119.db2.gz SLRJZDKSBSFALR-PHIMTYICSA-N 1 1 321.333 1.417 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825776 356665850 /nfs/dbraw/zinc/66/58/50/356665850.db2.gz GQZUHXAHXUPUOK-AWEZNQCLSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825776 356665851 /nfs/dbraw/zinc/66/58/51/356665851.db2.gz GQZUHXAHXUPUOK-AWEZNQCLSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H]2COC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829514 356666735 /nfs/dbraw/zinc/66/67/35/356666735.db2.gz IGDDJANBBURVBU-QWHCGFSZSA-N 1 1 319.361 1.526 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828149 356666851 /nfs/dbraw/zinc/66/68/51/356666851.db2.gz UVRPHTWSXSOHRE-CHWSQXEVSA-N 1 1 319.361 1.892 20 5 DDBDMO CCN1CC[NH+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596073008 356762877 /nfs/dbraw/zinc/76/28/77/356762877.db2.gz CVSWIYDAXLFYNS-UHFFFAOYSA-N 1 1 309.370 1.135 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163182 356797696 /nfs/dbraw/zinc/79/76/96/356797696.db2.gz QDQGZGPQBRBEEW-NOZJJQNGSA-N 1 1 304.350 1.588 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596189724 356806991 /nfs/dbraw/zinc/80/69/91/356806991.db2.gz QGHLRECYVULPHF-IINYFYTJSA-N 1 1 304.350 1.224 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123075 356781784 /nfs/dbraw/zinc/78/17/84/356781784.db2.gz MJUZAAZTHXYMEL-NSHDSACASA-N 1 1 321.381 1.276 20 5 DDBDMO C[NH+]1CCC(N2CC[C@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123075 356781787 /nfs/dbraw/zinc/78/17/87/356781787.db2.gz MJUZAAZTHXYMEL-NSHDSACASA-N 1 1 321.381 1.276 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)CO1 ZINC000596432130 356877974 /nfs/dbraw/zinc/87/79/74/356877974.db2.gz QMHVUIHBEFDTJX-QWRGUYRKSA-N 1 1 322.365 1.215 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)CO1 ZINC000596432130 356877976 /nfs/dbraw/zinc/87/79/76/356877976.db2.gz QMHVUIHBEFDTJX-QWRGUYRKSA-N 1 1 322.365 1.215 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268625 356838971 /nfs/dbraw/zinc/83/89/71/356838971.db2.gz KTTHQRJSXAMVEM-GFCCVEGCSA-N 1 1 320.393 1.875 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]3COC[C@@H]3C1)OCCO2 ZINC000597231771 357103171 /nfs/dbraw/zinc/10/31/71/357103171.db2.gz QPCOVUIOGUDPJM-YPMHNXCESA-N 1 1 320.345 1.834 20 5 DDBDMO CCc1n[nH]c(C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043928 357440844 /nfs/dbraw/zinc/44/08/44/357440844.db2.gz XMIBSJMATBSRNC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043928 357440847 /nfs/dbraw/zinc/44/08/47/357440847.db2.gz XMIBSJMATBSRNC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043928 357440851 /nfs/dbraw/zinc/44/08/51/357440851.db2.gz XMIBSJMATBSRNC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000599021213 357796542 /nfs/dbraw/zinc/79/65/42/357796542.db2.gz UPTYAYDPIQLTJI-GXSJLCMTSA-N 1 1 310.335 1.968 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600315554 358193771 /nfs/dbraw/zinc/19/37/71/358193771.db2.gz UVTQJTUPOHPTQF-ZDUSSCGKSA-N 1 1 323.397 1.338 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474008 358234719 /nfs/dbraw/zinc/23/47/19/358234719.db2.gz WAYNTESQMBPCSP-NSHDSACASA-N 1 1 307.354 1.373 20 5 DDBDMO C[C@@](CO)([NH2+]Cc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601148427 358422408 /nfs/dbraw/zinc/42/24/08/358422408.db2.gz BOUVTFJBKLWGFB-INIZCTEOSA-N 1 1 316.361 1.735 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)C1 ZINC000601186053 358438594 /nfs/dbraw/zinc/43/85/94/358438594.db2.gz DBGZZQQXHYTDIC-UHFFFAOYSA-N 1 1 321.303 1.878 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@@H+](C)C(C)(C)C1 ZINC000601186053 358438597 /nfs/dbraw/zinc/43/85/97/358438597.db2.gz DBGZZQQXHYTDIC-UHFFFAOYSA-N 1 1 321.303 1.878 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCOCC1 ZINC000601956633 358752804 /nfs/dbraw/zinc/75/28/04/358752804.db2.gz SEOCRJFQGQWAJY-CQSZACIVSA-N 1 1 324.377 1.319 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCOCC1 ZINC000601956633 358752805 /nfs/dbraw/zinc/75/28/05/358752805.db2.gz SEOCRJFQGQWAJY-CQSZACIVSA-N 1 1 324.377 1.319 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000601970239 358758545 /nfs/dbraw/zinc/75/85/45/358758545.db2.gz NFMIIZAHHPQZOI-AWEZNQCLSA-N 1 1 321.377 1.916 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602152956 358851061 /nfs/dbraw/zinc/85/10/61/358851061.db2.gz ZPDFVMAATNBVIR-CQSZACIVSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC(F)(F)CO)CC2)cn1 ZINC000602613364 359073853 /nfs/dbraw/zinc/07/38/53/359073853.db2.gz YMNVAYSHBAECQW-UHFFFAOYSA-N 1 1 316.308 1.176 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000602812846 359209791 /nfs/dbraw/zinc/20/97/91/359209791.db2.gz RXGYHTCBJMMWCV-UHFFFAOYSA-N 1 1 324.381 1.371 20 5 DDBDMO Cn1cc(CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822939 359217557 /nfs/dbraw/zinc/21/75/57/359217557.db2.gz HJXFEDOHUVNYHR-HUUCEWRRSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822939 359217560 /nfs/dbraw/zinc/21/75/60/359217560.db2.gz HJXFEDOHUVNYHR-HUUCEWRRSA-N 1 1 315.377 1.863 20 5 DDBDMO COC[C@](C)(CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000602933677 359303051 /nfs/dbraw/zinc/30/30/51/359303051.db2.gz WIYXWXQSVCACJX-ZDUSSCGKSA-N 1 1 302.302 1.230 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882263 359265390 /nfs/dbraw/zinc/26/53/90/359265390.db2.gz UEYJOOPZFWDOIO-ZDUSSCGKSA-N 1 1 303.322 1.317 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000602957659 359321864 /nfs/dbraw/zinc/32/18/64/359321864.db2.gz NTRAIINGDPNDHI-UHFFFAOYSA-N 1 1 305.338 1.032 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(CO)CC1 ZINC000186817709 200016305 /nfs/dbraw/zinc/01/63/05/200016305.db2.gz KEKVFJKXPPBGIK-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1(CO)CC1 ZINC000186817709 200016307 /nfs/dbraw/zinc/01/63/07/200016307.db2.gz KEKVFJKXPPBGIK-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1O ZINC000186830762 200018201 /nfs/dbraw/zinc/01/82/01/200018201.db2.gz NOXJMGAIKGNBIV-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1O ZINC000186830762 200018203 /nfs/dbraw/zinc/01/82/03/200018203.db2.gz NOXJMGAIKGNBIV-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186932165 200033057 /nfs/dbraw/zinc/03/30/57/200033057.db2.gz SOJYVZOMZFLQHB-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186932165 200033058 /nfs/dbraw/zinc/03/30/58/200033058.db2.gz SOJYVZOMZFLQHB-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1ccc(OCCN[C@@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430963 359635858 /nfs/dbraw/zinc/63/58/58/359635858.db2.gz DDEHABNBOZKNCT-ZIAGYGMSSA-N 1 1 309.366 1.698 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000604199914 359725776 /nfs/dbraw/zinc/72/57/76/359725776.db2.gz XEGDMRAUXPPWLA-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000189417837 200397787 /nfs/dbraw/zinc/39/77/87/200397787.db2.gz CEFCRWMDBWICIO-NSHDSACASA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000189428697 200399639 /nfs/dbraw/zinc/39/96/39/200399639.db2.gz UJGNDYMAHXQACJ-CYBMUJFWSA-N 1 1 307.394 1.872 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609570172 360326294 /nfs/dbraw/zinc/32/62/94/360326294.db2.gz TZTKMFAAMMYGMR-UHFFFAOYSA-N 1 1 323.349 1.785 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846479 360355317 /nfs/dbraw/zinc/35/53/17/360355317.db2.gz RTHJJMLEUZXLAE-JQWIXIFHSA-N 1 1 319.365 1.143 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846479 360355321 /nfs/dbraw/zinc/35/53/21/360355321.db2.gz RTHJJMLEUZXLAE-JQWIXIFHSA-N 1 1 319.365 1.143 20 5 DDBDMO Cc1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489136 360450356 /nfs/dbraw/zinc/45/03/56/360450356.db2.gz FTQYOOWDKKMGBF-CQSZACIVSA-N 1 1 320.393 1.989 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610615773 360482010 /nfs/dbraw/zinc/48/20/10/360482010.db2.gz SMWAFXXQKFSVOB-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO COC[C@H]1CCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610615773 360482013 /nfs/dbraw/zinc/48/20/13/360482013.db2.gz SMWAFXXQKFSVOB-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1c([N+](=O)[O-])ncn1C ZINC000611031275 360606917 /nfs/dbraw/zinc/60/69/17/360606917.db2.gz MBZGXSAYWRRVAW-UHFFFAOYSA-N 1 1 311.386 1.123 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088144 360619878 /nfs/dbraw/zinc/61/98/78/360619878.db2.gz FKWWNQUYKBKUQE-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088221 360620054 /nfs/dbraw/zinc/62/00/54/360620054.db2.gz KECHXNDXINQTIZ-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CCOC(=O)C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611237515 360674403 /nfs/dbraw/zinc/67/44/03/360674403.db2.gz NACYIRJNBLEFRN-HNNXBMFYSA-N 1 1 322.361 1.873 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000612120814 360924880 /nfs/dbraw/zinc/92/48/80/360924880.db2.gz XAOOTEIONWKJKW-ZDUSSCGKSA-N 1 1 322.361 1.447 20 5 DDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@]1(CO)CCOC1 ZINC000613130292 361283335 /nfs/dbraw/zinc/28/33/35/361283335.db2.gz SLQCGEGOWHJRMQ-CQSZACIVSA-N 1 1 307.306 1.319 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@]1(CO)CCOC1 ZINC000613130292 361283338 /nfs/dbraw/zinc/28/33/38/361283338.db2.gz SLQCGEGOWHJRMQ-CQSZACIVSA-N 1 1 307.306 1.319 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000619077474 363888014 /nfs/dbraw/zinc/88/80/14/363888014.db2.gz HKOHEUFVBHZWMF-IMMZDGJCSA-N 1 1 301.346 1.820 20 5 DDBDMO COc1ccc(OCC[NH2+][C@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000275164366 212164041 /nfs/dbraw/zinc/16/40/41/212164041.db2.gz JPEGAWIMGKVZPD-SNVBAGLBSA-N 1 1 321.337 1.462 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000262612957 203350526 /nfs/dbraw/zinc/35/05/26/203350526.db2.gz WSQFEDKQRBNNHJ-ZJUUUORDSA-N 1 1 307.354 1.237 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580224 204008345 /nfs/dbraw/zinc/00/83/45/204008345.db2.gz CHNPREUXKLHVAF-NSHDSACASA-N 1 1 321.381 1.581 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264653334 204054205 /nfs/dbraw/zinc/05/42/05/204054205.db2.gz HEXIWQKRJFSOPJ-JTQLQIEISA-N 1 1 302.334 1.758 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264659586 204061537 /nfs/dbraw/zinc/06/15/37/204061537.db2.gz HLHFJNMWUKSGQV-CQSZACIVSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1cc(C(=O)NCC[NH+]2CCSCC2)cc([N+](=O)[O-])c1 ZINC000264756855 204130965 /nfs/dbraw/zinc/13/09/65/204130965.db2.gz BZXLBGTXCUCJLJ-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288470090 220162619 /nfs/dbraw/zinc/16/26/19/220162619.db2.gz ORTNRKABGKNQEZ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288470090 220162623 /nfs/dbraw/zinc/16/26/23/220162623.db2.gz ORTNRKABGKNQEZ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365960 206014455 /nfs/dbraw/zinc/01/44/55/206014455.db2.gz XHZBLBNREQWVGU-STQMWFEESA-N 1 1 318.377 1.842 20 5 DDBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185881753 248543977 /nfs/dbraw/zinc/54/39/77/248543977.db2.gz AOZMVZGJULSKNE-CQSZACIVSA-N 1 1 306.410 1.710 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795943 218180970 /nfs/dbraw/zinc/18/09/70/218180970.db2.gz OGZBJKJROSBOJF-ZFWWWQNUSA-N 1 1 319.361 1.837 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000284910328 218232100 /nfs/dbraw/zinc/23/21/00/218232100.db2.gz VFFCMHPWHLJAEK-IUODEOHRSA-N 1 1 322.365 1.457 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000273776319 211050868 /nfs/dbraw/zinc/05/08/68/211050868.db2.gz RYEJNGPNGQYXTG-AWEZNQCLSA-N 1 1 318.377 1.939 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000273776319 211050871 /nfs/dbraw/zinc/05/08/71/211050871.db2.gz RYEJNGPNGQYXTG-AWEZNQCLSA-N 1 1 318.377 1.939 20 5 DDBDMO CC[N@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272964682 210349768 /nfs/dbraw/zinc/34/97/68/210349768.db2.gz UBHVTBYMRUXXHE-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1=O ZINC000352551221 285134148 /nfs/dbraw/zinc/13/41/48/285134148.db2.gz WQEFYBODKWBOCY-OAHLLOKOSA-N 1 1 303.362 1.832 20 5 DDBDMO C[N@@H+](C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000352708228 285244462 /nfs/dbraw/zinc/24/44/62/285244462.db2.gz FOKFKODTDXQGEJ-OAHLLOKOSA-N 1 1 321.377 1.244 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289855702 221271411 /nfs/dbraw/zinc/27/14/11/221271411.db2.gz CKBJNBZRDIELAQ-NSHDSACASA-N 1 1 307.354 1.088 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)C1 ZINC000122202688 195417193 /nfs/dbraw/zinc/41/71/93/195417193.db2.gz MBYFPFNQUPBATB-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000072044680 406872687 /nfs/dbraw/zinc/87/26/87/406872687.db2.gz HRRSCRZAABYUGE-ZDUSSCGKSA-N 1 1 307.350 1.431 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000084439778 407089187 /nfs/dbraw/zinc/08/91/87/407089187.db2.gz FLRAFWKUDPVDSS-JTQLQIEISA-N 1 1 304.755 1.525 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000046859977 407064721 /nfs/dbraw/zinc/06/47/21/407064721.db2.gz LXXZMRROCPLQCD-NSHDSACASA-N 1 1 306.366 1.902 20 5 DDBDMO CCOC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000055058865 407193506 /nfs/dbraw/zinc/19/35/06/407193506.db2.gz DEWGJLFXBUPLEJ-UHFFFAOYSA-N 1 1 307.350 1.670 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000055389448 407202163 /nfs/dbraw/zinc/20/21/63/407202163.db2.gz WMMAKOZLIJRFSL-BETUJISGSA-N 1 1 323.397 1.276 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000067706305 407280693 /nfs/dbraw/zinc/28/06/93/407280693.db2.gz RWKHBHNAMKGTMN-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284076 407336217 /nfs/dbraw/zinc/33/62/17/407336217.db2.gz ILKCSPUSYCBXHT-NWDGAFQWSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000127498289 407438486 /nfs/dbraw/zinc/43/84/86/407438486.db2.gz HVPMAKGSLRFCGD-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000127498092 407438720 /nfs/dbraw/zinc/43/87/20/407438720.db2.gz HVPMAKGSLRFCGD-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000178781996 407601365 /nfs/dbraw/zinc/60/13/65/407601365.db2.gz ZHZVPFKRNLABBK-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000266868717 407656864 /nfs/dbraw/zinc/65/68/64/407656864.db2.gz OLRVKAYUNWMPHM-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000266868717 407656868 /nfs/dbraw/zinc/65/68/68/407656868.db2.gz OLRVKAYUNWMPHM-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000116891458 407791446 /nfs/dbraw/zinc/79/14/46/407791446.db2.gz DPPVLABMJLJKLL-LBPRGKRZSA-N 1 1 313.379 1.027 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000116891458 407791453 /nfs/dbraw/zinc/79/14/53/407791453.db2.gz DPPVLABMJLJKLL-LBPRGKRZSA-N 1 1 313.379 1.027 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118107030 407891052 /nfs/dbraw/zinc/89/10/52/407891052.db2.gz KIBXOIJXNGMCCE-LBPRGKRZSA-N 1 1 320.349 1.052 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154063236 407964013 /nfs/dbraw/zinc/96/40/13/407964013.db2.gz RKRPNULOVPSKQG-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154063236 407964020 /nfs/dbraw/zinc/96/40/20/407964020.db2.gz RKRPNULOVPSKQG-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272532693 407969362 /nfs/dbraw/zinc/96/93/62/407969362.db2.gz ISKRCRQNZQATHP-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272532693 407969368 /nfs/dbraw/zinc/96/93/68/407969368.db2.gz ISKRCRQNZQATHP-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000153847617 407918118 /nfs/dbraw/zinc/91/81/18/407918118.db2.gz XWPOYHIRXDBXNN-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272441349 407922828 /nfs/dbraw/zinc/92/28/28/407922828.db2.gz INGPOMKBVCEFHH-IUODEOHRSA-N 1 1 303.362 1.690 20 5 DDBDMO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000189899960 408133116 /nfs/dbraw/zinc/13/31/16/408133116.db2.gz WGMFJVXYLFZBGQ-AWEZNQCLSA-N 1 1 321.421 1.914 20 5 DDBDMO Cn1cccc1[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175492957 408145217 /nfs/dbraw/zinc/14/52/17/408145217.db2.gz AKJYTKNBPAHZKU-DZGCQCFKSA-N 1 1 319.365 1.328 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246206941 408176872 /nfs/dbraw/zinc/17/68/72/408176872.db2.gz AARMECHHBSQGDS-WFASDCNBSA-N 1 1 318.377 1.702 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269330260 408270726 /nfs/dbraw/zinc/27/07/26/408270726.db2.gz FDVMAKAWNRDTRE-JTQLQIEISA-N 1 1 309.370 1.465 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000269377380 408289263 /nfs/dbraw/zinc/28/92/63/408289263.db2.gz IKPVRSMUPILYLO-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000269377380 408289267 /nfs/dbraw/zinc/28/92/67/408289267.db2.gz IKPVRSMUPILYLO-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000269377380 408289273 /nfs/dbraw/zinc/28/92/73/408289273.db2.gz IKPVRSMUPILYLO-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246853633 408352888 /nfs/dbraw/zinc/35/28/88/408352888.db2.gz BQBKKBGKQQEUEE-STQMWFEESA-N 1 1 308.382 1.580 20 5 DDBDMO COc1cc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000190936071 408343317 /nfs/dbraw/zinc/34/33/17/408343317.db2.gz HUHFHAIQEAUHPR-UWVGGRQHSA-N 1 1 316.329 1.306 20 5 DDBDMO COc1cc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000190936071 408343319 /nfs/dbraw/zinc/34/33/19/408343319.db2.gz HUHFHAIQEAUHPR-UWVGGRQHSA-N 1 1 316.329 1.306 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000176989627 408491031 /nfs/dbraw/zinc/49/10/31/408491031.db2.gz QMPVBLWYBQFYSK-ZYHUDNBSSA-N 1 1 304.350 1.486 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000177007219 408495216 /nfs/dbraw/zinc/49/52/16/408495216.db2.gz KDVJCBOFNGHVND-NEPJUHHUSA-N 1 1 318.377 1.794 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000191714652 408475032 /nfs/dbraw/zinc/47/50/32/408475032.db2.gz AKFODJPOTGAIND-LBPRGKRZSA-N 1 1 307.350 1.736 20 5 DDBDMO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000265193137 408576361 /nfs/dbraw/zinc/57/63/61/408576361.db2.gz LHWXDKDBNPZDAD-QWHCGFSZSA-N 1 1 308.382 1.580 20 5 DDBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000265363254 408624588 /nfs/dbraw/zinc/62/45/88/408624588.db2.gz FWQNUANYAIAJNI-UHFFFAOYSA-N 1 1 320.349 1.052 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792459 408650648 /nfs/dbraw/zinc/65/06/48/408650648.db2.gz YKVWBMOXBAESOJ-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792459 408650653 /nfs/dbraw/zinc/65/06/53/408650653.db2.gz YKVWBMOXBAESOJ-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792459 408650656 /nfs/dbraw/zinc/65/06/56/408650656.db2.gz YKVWBMOXBAESOJ-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421815 408699567 /nfs/dbraw/zinc/69/95/67/408699567.db2.gz HBCPHFKSCWTAIW-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421815 408699571 /nfs/dbraw/zinc/69/95/71/408699571.db2.gz HBCPHFKSCWTAIW-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000290807509 408836694 /nfs/dbraw/zinc/83/66/94/408836694.db2.gz ZGKWMCHXTPVKBW-SNVBAGLBSA-N 1 1 310.354 1.917 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000191193520 163176145 /nfs/dbraw/zinc/17/61/45/163176145.db2.gz PKSCBKDNUOYIBF-MRVPVSSYSA-N 1 1 316.155 1.471 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000291983553 408956616 /nfs/dbraw/zinc/95/66/16/408956616.db2.gz TZXKCFJVOHCXCO-SECBINFHSA-N 1 1 312.345 1.775 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286319419 408963028 /nfs/dbraw/zinc/96/30/28/408963028.db2.gz KVCZYQYXKRHEBW-NSHDSACASA-N 1 1 306.366 1.485 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286338824 408966691 /nfs/dbraw/zinc/96/66/91/408966691.db2.gz FAMUJIGAQJNBMP-OUCADQQQSA-N 1 1 310.350 1.180 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078769 408975894 /nfs/dbraw/zinc/97/58/94/408975894.db2.gz FLJCKMZLTQYALI-CVEARBPZSA-N 1 1 305.378 1.656 20 5 DDBDMO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000283322316 409137071 /nfs/dbraw/zinc/13/70/71/409137071.db2.gz OTIZWCWPMYEAKL-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000283322316 409137072 /nfs/dbraw/zinc/13/70/72/409137072.db2.gz OTIZWCWPMYEAKL-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO Nc1c(C(=O)NCC[N@@H+]2CC=CCC2)cc(F)cc1[N+](=O)[O-] ZINC000280284461 409285057 /nfs/dbraw/zinc/28/50/57/409285057.db2.gz QPSMPYUETTWAFS-UHFFFAOYSA-N 1 1 308.313 1.308 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337175 409294807 /nfs/dbraw/zinc/29/48/07/409294807.db2.gz HNWBZZUDHJAJQV-MAZHCROVSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337175 409294810 /nfs/dbraw/zinc/29/48/10/409294810.db2.gz HNWBZZUDHJAJQV-MAZHCROVSA-N 1 1 322.361 1.508 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc([N+](=O)[O-])c1 ZINC000295513627 409324431 /nfs/dbraw/zinc/32/44/31/409324431.db2.gz QBCJWILVTCOWCH-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000290448217 409406249 /nfs/dbraw/zinc/40/62/49/409406249.db2.gz CWCJKQDCJIMTLG-QWRGUYRKSA-N 1 1 305.338 1.127 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000280742451 409434678 /nfs/dbraw/zinc/43/46/78/409434678.db2.gz MNIBEGQIPAMNMA-AWEZNQCLSA-N 1 1 311.313 1.440 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)CO ZINC000295362280 409451022 /nfs/dbraw/zinc/45/10/22/409451022.db2.gz ZGJZPXIDPGWCJG-LLVKDONJSA-N 1 1 309.366 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)CO ZINC000295362280 409451026 /nfs/dbraw/zinc/45/10/26/409451026.db2.gz ZGJZPXIDPGWCJG-LLVKDONJSA-N 1 1 309.366 1.872 20 5 DDBDMO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295405316 409467629 /nfs/dbraw/zinc/46/76/29/409467629.db2.gz IXZOTRPIHRPHHK-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000408356037 164305944 /nfs/dbraw/zinc/30/59/44/164305944.db2.gz CILDJYWDWGQISW-AWEZNQCLSA-N 1 1 306.366 1.710 20 5 DDBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304323874 409605448 /nfs/dbraw/zinc/60/54/48/409605448.db2.gz MRDVLYVDTHDXKE-CQSZACIVSA-N 1 1 320.349 1.293 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338795230 410037494 /nfs/dbraw/zinc/03/74/94/410037494.db2.gz OMAQOXAJINQAAC-PHIMTYICSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338795230 410037500 /nfs/dbraw/zinc/03/75/00/410037500.db2.gz OMAQOXAJINQAAC-PHIMTYICSA-N 1 1 322.365 1.614 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298476007 410246387 /nfs/dbraw/zinc/24/63/87/410246387.db2.gz DHVZYKURDPKTGB-OLZOCXBDSA-N 1 1 319.361 1.717 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)CO ZINC000339634915 410348278 /nfs/dbraw/zinc/34/82/78/410348278.db2.gz KMURYAOGYULMAF-LLVKDONJSA-N 1 1 309.366 1.935 20 5 DDBDMO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347004970 410306496 /nfs/dbraw/zinc/30/64/96/410306496.db2.gz KQGMVLTXUCCYCW-CQSZACIVSA-N 1 1 319.361 1.669 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)n1 ZINC000357899986 410318931 /nfs/dbraw/zinc/31/89/31/410318931.db2.gz AGSKNLXETVWYNQ-JTQLQIEISA-N 1 1 308.260 1.181 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)n1 ZINC000357899986 410318938 /nfs/dbraw/zinc/31/89/38/410318938.db2.gz AGSKNLXETVWYNQ-JTQLQIEISA-N 1 1 308.260 1.181 20 5 DDBDMO COCC[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000194487567 306728866 /nfs/dbraw/zinc/72/88/66/306728866.db2.gz OITQCLOJNUXIKS-UHFFFAOYSA-N 1 1 322.365 1.068 20 5 DDBDMO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000358295152 410440808 /nfs/dbraw/zinc/44/08/08/410440808.db2.gz IBBKCGAXNUTTBL-UHFFFAOYSA-N 1 1 304.343 1.647 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310864 410707936 /nfs/dbraw/zinc/70/79/36/410707936.db2.gz BOQVATCONKFUIF-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000337310864 410707946 /nfs/dbraw/zinc/70/79/46/410707946.db2.gz BOQVATCONKFUIF-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000337310864 410707952 /nfs/dbraw/zinc/70/79/52/410707952.db2.gz BOQVATCONKFUIF-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310869 410709278 /nfs/dbraw/zinc/70/92/78/410709278.db2.gz BOZAOEYZSONRPI-ZOWXZIJZSA-N 1 1 319.361 1.626 20 5 DDBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355875729 410712752 /nfs/dbraw/zinc/71/27/52/410712752.db2.gz CVXUDNPZHOULKZ-LLVKDONJSA-N 1 1 304.350 1.486 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(S(C)(=O)=O)CC1 ZINC000353041030 410751921 /nfs/dbraw/zinc/75/19/21/410751921.db2.gz XCTKAFPBROQOCD-SECBINFHSA-N 1 1 316.354 1.789 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353052001 410759977 /nfs/dbraw/zinc/75/99/77/410759977.db2.gz XLSODSACPPDQGE-UHFFFAOYSA-N 1 1 324.377 1.837 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000301682873 410769304 /nfs/dbraw/zinc/76/93/04/410769304.db2.gz VUKRLOGMFPPUQF-HZPDHXFCSA-N 1 1 314.345 1.662 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343888470 410782405 /nfs/dbraw/zinc/78/24/05/410782405.db2.gz XHMUSFURKHDQQD-OAHLLOKOSA-N 1 1 308.334 1.483 20 5 DDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000356103781 410835885 /nfs/dbraw/zinc/83/58/85/410835885.db2.gz VKLUAJXMHOFYOI-AWEZNQCLSA-N 1 1 305.334 1.467 20 5 DDBDMO CCOC(=O)c1cc(C(=O)NCC[NH+]2CCC2)cc([N+](=O)[O-])c1 ZINC000337580363 410874699 /nfs/dbraw/zinc/87/46/99/410874699.db2.gz IKFPQJVUODOKLY-UHFFFAOYSA-N 1 1 321.333 1.207 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000341149663 410898107 /nfs/dbraw/zinc/89/81/07/410898107.db2.gz UIZGBRUZJXSNFZ-NSHDSACASA-N 1 1 306.370 2.170 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000356279247 410941383 /nfs/dbraw/zinc/94/13/83/410941383.db2.gz LJWPDHMAVAXMJQ-HNNXBMFYSA-N 1 1 319.365 1.130 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000341841961 411070616 /nfs/dbraw/zinc/07/06/16/411070616.db2.gz KOBXYTPCJJNQJE-SNVBAGLBSA-N 1 1 308.338 1.591 20 5 DDBDMO C[C@H](CCO)[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353517113 411041914 /nfs/dbraw/zinc/04/19/14/411041914.db2.gz HWKBFRDCOHXWKP-RISCZKNCSA-N 1 1 304.350 1.778 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419350877 226127504 /nfs/dbraw/zinc/12/75/04/226127504.db2.gz ZYWFAGMMRKAWIR-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695821 226133289 /nfs/dbraw/zinc/13/32/89/226133289.db2.gz METGVWBEINTYQI-CZUORRHYSA-N 1 1 324.377 1.693 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000366737329 418510922 /nfs/dbraw/zinc/51/09/22/418510922.db2.gz GRXHWOBFYZVVGM-ZDUSSCGKSA-N 1 1 309.322 1.348 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@@H]1CCCO1 ZINC000192707556 418526433 /nfs/dbraw/zinc/52/64/33/418526433.db2.gz XLFIXPBKJDHMEO-GJZGRUSLSA-N 1 1 324.377 1.583 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000193203246 418529833 /nfs/dbraw/zinc/52/98/33/418529833.db2.gz TYSBTDHRYCDBFN-UHFFFAOYSA-N 1 1 313.379 1.277 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000191840280 222110380 /nfs/dbraw/zinc/11/03/80/222110380.db2.gz YTMOVQFBUWUNFR-VHSXEESVSA-N 1 1 307.354 1.166 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@H]21 ZINC000375050719 418596063 /nfs/dbraw/zinc/59/60/63/418596063.db2.gz SFDVBJDHPQAUOU-BXKDBHETSA-N 1 1 303.322 1.661 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375053876 418596439 /nfs/dbraw/zinc/59/64/39/418596439.db2.gz IJANSJJBAVLURK-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361421329 418649847 /nfs/dbraw/zinc/64/98/47/418649847.db2.gz SUFWQXWIYCYCME-AWEZNQCLSA-N 1 1 319.361 1.329 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361421329 418649848 /nfs/dbraw/zinc/64/98/48/418649848.db2.gz SUFWQXWIYCYCME-AWEZNQCLSA-N 1 1 319.361 1.329 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000367774499 418632027 /nfs/dbraw/zinc/63/20/27/418632027.db2.gz WMDLOSUEGQLINP-OAHLLOKOSA-N 1 1 319.361 1.513 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000367774499 418632031 /nfs/dbraw/zinc/63/20/31/418632031.db2.gz WMDLOSUEGQLINP-OAHLLOKOSA-N 1 1 319.361 1.513 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368232015 418707438 /nfs/dbraw/zinc/70/74/38/418707438.db2.gz YVSRPARRAMNZRF-DGCLKSJQSA-N 1 1 305.334 1.171 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000367988160 418670118 /nfs/dbraw/zinc/67/01/18/418670118.db2.gz JAJTUWBXYRKKAY-SECBINFHSA-N 1 1 311.313 1.440 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCOC1 ZINC000361593778 418688735 /nfs/dbraw/zinc/68/87/35/418688735.db2.gz HMPDOPPHTOYDCD-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCOC1 ZINC000361593778 418688739 /nfs/dbraw/zinc/68/87/39/418688739.db2.gz HMPDOPPHTOYDCD-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000411607713 419360911 /nfs/dbraw/zinc/36/09/11/419360911.db2.gz DFUYVQOBKFOFGS-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1c(CC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425060763 228358161 /nfs/dbraw/zinc/35/81/61/228358161.db2.gz WYZMMWLINSZZMZ-GOEBONIOSA-N 1 1 317.389 1.998 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000425919072 419367317 /nfs/dbraw/zinc/36/73/17/419367317.db2.gz ATZCXMNOHBSQQA-HNNXBMFYSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+]1C ZINC000421002734 419439758 /nfs/dbraw/zinc/43/97/58/419439758.db2.gz MOXRGLXWLLBSRP-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079253 419627524 /nfs/dbraw/zinc/62/75/24/419627524.db2.gz LCOYBTLIODQPGN-CHWSQXEVSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079253 419627527 /nfs/dbraw/zinc/62/75/27/419627527.db2.gz LCOYBTLIODQPGN-CHWSQXEVSA-N 1 1 321.377 1.650 20 5 DDBDMO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000412092235 419649290 /nfs/dbraw/zinc/64/92/90/419649290.db2.gz VQULFMLJZZQHSR-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299624862 229275442 /nfs/dbraw/zinc/27/54/42/229275442.db2.gz KTIPTRZZRFAWCR-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO CC(C)[C@@H]([NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268592 419999299 /nfs/dbraw/zinc/99/92/99/419999299.db2.gz GPSPLAYWGIKICB-RISCZKNCSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@@H](N)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268592 419999302 /nfs/dbraw/zinc/99/93/02/419999302.db2.gz GPSPLAYWGIKICB-RISCZKNCSA-N 1 1 308.382 1.885 20 5 DDBDMO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378155 420249480 /nfs/dbraw/zinc/24/94/80/420249480.db2.gz WXEKLIDPMMSVTP-WQGACYEGSA-N 1 1 320.393 1.900 20 5 DDBDMO CNC(=O)c1ccc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425277976 420337447 /nfs/dbraw/zinc/33/74/47/420337447.db2.gz DDFLUPFOSPZXNS-SWLSCSKDSA-N 1 1 318.377 1.485 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302050141 230064568 /nfs/dbraw/zinc/06/45/68/230064568.db2.gz ZWXHNDLYTQGMLF-UHFFFAOYSA-N 1 1 312.395 1.621 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC000450614361 420499601 /nfs/dbraw/zinc/49/96/01/420499601.db2.gz MZHZANWMBJKGJT-ZDUSSCGKSA-N 1 1 308.382 1.865 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443065899 420741616 /nfs/dbraw/zinc/74/16/16/420741616.db2.gz CRPMLZFNSRDGPR-STQMWFEESA-N 1 1 320.393 1.983 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)[C@@H]3CCCO3)nc2c1 ZINC000447902562 420813080 /nfs/dbraw/zinc/81/30/80/420813080.db2.gz FKGKRJNAFDZGLW-NEPJUHHUSA-N 1 1 307.306 1.366 20 5 DDBDMO CNc1nc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455657475 421050481 /nfs/dbraw/zinc/05/04/81/421050481.db2.gz MFEZJUZEXLUVAZ-WDEREUQCSA-N 1 1 319.365 1.340 20 5 DDBDMO O=C1OCC[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494132453 420996997 /nfs/dbraw/zinc/99/69/97/420996997.db2.gz JAWKBAMGGVDGOQ-CQSZACIVSA-N 1 1 305.334 1.664 20 5 DDBDMO O=C1OCC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000494132453 420996998 /nfs/dbraw/zinc/99/69/98/420996998.db2.gz JAWKBAMGGVDGOQ-CQSZACIVSA-N 1 1 305.334 1.664 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357852 421084778 /nfs/dbraw/zinc/08/47/78/421084778.db2.gz QFCSTNSJFLIXKU-SWLSCSKDSA-N 1 1 305.378 1.793 20 5 DDBDMO C[C@H](O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000450574386 421211669 /nfs/dbraw/zinc/21/16/69/421211669.db2.gz ZUAGWTORMXWLOG-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000525620061 421293285 /nfs/dbraw/zinc/29/32/85/421293285.db2.gz ZESTYBXVEDMQJH-UWVGGRQHSA-N 1 1 321.333 1.536 20 5 DDBDMO COc1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000527245580 421370322 /nfs/dbraw/zinc/37/03/22/421370322.db2.gz VHMZTUXBQIELQR-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000562927003 421426381 /nfs/dbraw/zinc/42/63/81/421426381.db2.gz ZRVNHMVCPJJIDQ-NSHDSACASA-N 1 1 306.366 1.836 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])cn2)[nH+]c1 ZINC000531887323 421646173 /nfs/dbraw/zinc/64/61/73/421646173.db2.gz GQQAQNVBRZEUIT-UHFFFAOYSA-N 1 1 315.333 1.925 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000543767968 421841325 /nfs/dbraw/zinc/84/13/25/421841325.db2.gz ZGTHCZNQFDSXHT-LLVKDONJSA-N 1 1 307.354 1.264 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000573742131 422009507 /nfs/dbraw/zinc/00/95/07/422009507.db2.gz UWVLAKBGDLPPAD-LBPRGKRZSA-N 1 1 319.361 1.658 20 5 DDBDMO Nc1nccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000594345124 422346563 /nfs/dbraw/zinc/34/65/63/422346563.db2.gz UEENKVZFCYAHFT-NSHDSACASA-N 1 1 319.365 1.319 20 5 DDBDMO Nc1nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599125864 422402829 /nfs/dbraw/zinc/40/28/29/422402829.db2.gz DTECERYJSHIECY-NSHDSACASA-N 1 1 306.370 1.208 20 5 DDBDMO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000342295899 271369465 /nfs/dbraw/zinc/36/94/65/271369465.db2.gz PXXWSAIEGOYTDS-LBPRGKRZSA-N 1 1 314.345 1.957 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000342295897 271369519 /nfs/dbraw/zinc/36/95/19/271369519.db2.gz PXXWSAIEGOYTDS-GFCCVEGCSA-N 1 1 314.345 1.957 20 5 DDBDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343807243 271876581 /nfs/dbraw/zinc/87/65/81/271876581.db2.gz TURNZJDZRXJHQL-RYUDHWBXSA-N 1 1 323.397 1.948 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000344436219 272026558 /nfs/dbraw/zinc/02/65/58/272026558.db2.gz PVGUOFNMVRWIPJ-CQSZACIVSA-N 1 1 306.366 1.681 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344645343 272078778 /nfs/dbraw/zinc/07/87/78/272078778.db2.gz PDSUXDYYEZGEBC-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CC[N@@H+]4CCOC[C@@H]4C3)ccnc21 ZINC000432178214 275039569 /nfs/dbraw/zinc/03/95/69/275039569.db2.gz SSEJJHRUJLPYCK-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CC[N@H+]4CCOC[C@@H]4C3)ccnc21 ZINC000432178214 275039570 /nfs/dbraw/zinc/03/95/70/275039570.db2.gz SSEJJHRUJLPYCK-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000413278660 275040930 /nfs/dbraw/zinc/04/09/30/275040930.db2.gz FLQSYRSKHYEFIQ-LBPRGKRZSA-N 1 1 324.356 1.678 20 5 DDBDMO C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000119558354 281102689 /nfs/dbraw/zinc/10/26/89/281102689.db2.gz UUMRCYXIVLQSPA-UHFFFAOYSA-N 1 1 300.318 1.531 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358061664 299061581 /nfs/dbraw/zinc/06/15/81/299061581.db2.gz HAKURBFZOLYZTI-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362290457 300044981 /nfs/dbraw/zinc/04/49/81/300044981.db2.gz RVCCBSIBDURWLK-GWCFXTLKSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1 ZINC000362663732 300113103 /nfs/dbraw/zinc/11/31/03/300113103.db2.gz LTNMMIIVEMAHKZ-TXEJJXNPSA-N 1 1 315.333 1.643 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000362910235 300176353 /nfs/dbraw/zinc/17/63/53/300176353.db2.gz HDKMYYSTTYICNP-ZDUSSCGKSA-N 1 1 319.361 1.914 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940574 300183483 /nfs/dbraw/zinc/18/34/83/300183483.db2.gz GMQFHPVMTOFILI-KRWDZBQOSA-N 1 1 318.421 1.807 20 5 DDBDMO Cn1cc(C[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000363352643 300256064 /nfs/dbraw/zinc/25/60/64/300256064.db2.gz NHXLFWGFSAYPRF-LBPRGKRZSA-N 1 1 304.354 1.089 20 5 DDBDMO COC(=O)CN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363892115 300321775 /nfs/dbraw/zinc/32/17/75/300321775.db2.gz WJOKHMGMGCLJEA-UHFFFAOYSA-N 1 1 321.377 1.584 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367994109 300928789 /nfs/dbraw/zinc/92/87/89/300928789.db2.gz POBLPBXNZIBATG-ZYOFXKKJSA-N 1 1 311.288 1.674 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412264 301022191 /nfs/dbraw/zinc/02/21/91/301022191.db2.gz RMJWPXATFKIWBM-RISCZKNCSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412264 301022192 /nfs/dbraw/zinc/02/21/92/301022192.db2.gz RMJWPXATFKIWBM-RISCZKNCSA-N 1 1 319.361 1.687 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368596590 301061355 /nfs/dbraw/zinc/06/13/55/301061355.db2.gz VMBVMCJIFIDKHT-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685059 301212569 /nfs/dbraw/zinc/21/25/69/301212569.db2.gz ZJRIUZJZJFHHPP-CYBMUJFWSA-N 1 1 307.398 1.913 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685059 301212571 /nfs/dbraw/zinc/21/25/71/301212571.db2.gz ZJRIUZJZJFHHPP-CYBMUJFWSA-N 1 1 307.398 1.913 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685059 301212573 /nfs/dbraw/zinc/21/25/73/301212573.db2.gz ZJRIUZJZJFHHPP-CYBMUJFWSA-N 1 1 307.398 1.913 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000370445625 301340698 /nfs/dbraw/zinc/34/06/98/301340698.db2.gz WHMUTWSFPFXMPS-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000534306901 303330804 /nfs/dbraw/zinc/33/08/04/303330804.db2.gz JFLGHJCHMBJNNQ-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000534306901 303330805 /nfs/dbraw/zinc/33/08/05/303330805.db2.gz JFLGHJCHMBJNNQ-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CN1CCC[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712080 303389899 /nfs/dbraw/zinc/38/98/99/303389899.db2.gz PLRAFLFAFQYICM-WCQYABFASA-N 1 1 319.365 1.097 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000366325106 307070937 /nfs/dbraw/zinc/07/09/37/307070937.db2.gz JEPKZPDASJPCHW-GHMZBOCLSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000366325106 307070938 /nfs/dbraw/zinc/07/09/38/307070938.db2.gz JEPKZPDASJPCHW-GHMZBOCLSA-N 1 1 323.736 1.343 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000367253620 307089748 /nfs/dbraw/zinc/08/97/48/307089748.db2.gz SQYSIDXJDYWSPB-LKFCYVNXSA-N 1 1 322.340 1.482 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368793733 307109838 /nfs/dbraw/zinc/10/98/38/307109838.db2.gz ZJROLWVVGQXEAM-AWEZNQCLSA-N 1 1 319.361 1.689 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000370997933 307140173 /nfs/dbraw/zinc/14/01/73/307140173.db2.gz KLUGQRORYKFZAE-XFDYKOMQSA-N 1 1 306.362 1.721 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373938066 307198238 /nfs/dbraw/zinc/19/82/38/307198238.db2.gz MJVAOBUTAYURIQ-VXGBXAGGSA-N 1 1 304.350 1.655 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279337 307204987 /nfs/dbraw/zinc/20/49/87/307204987.db2.gz VGJHKYJTWGZXBS-YQQAZPJKSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279337 307204988 /nfs/dbraw/zinc/20/49/88/307204988.db2.gz VGJHKYJTWGZXBS-YQQAZPJKSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279337 307204989 /nfs/dbraw/zinc/20/49/89/307204989.db2.gz VGJHKYJTWGZXBS-YQQAZPJKSA-N 1 1 317.389 1.680 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](F)C1 ZINC000451197873 534325684 /nfs/dbraw/zinc/32/56/84/534325684.db2.gz ONRDZYRVKPIYJQ-SNVBAGLBSA-N 1 1 309.297 1.937 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](F)C1 ZINC000451197873 534325687 /nfs/dbraw/zinc/32/56/87/534325687.db2.gz ONRDZYRVKPIYJQ-SNVBAGLBSA-N 1 1 309.297 1.937 20 5 DDBDMO CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000451522230 527763198 /nfs/dbraw/zinc/76/31/98/527763198.db2.gz AWNKHJSKUMDDHU-TZMCWYRMSA-N 1 1 309.366 1.503 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000123295192 696730557 /nfs/dbraw/zinc/73/05/57/696730557.db2.gz FGBNBTDOZCQMPJ-UHFFFAOYSA-N 1 1 315.377 1.957 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108298495 696633473 /nfs/dbraw/zinc/63/34/73/696633473.db2.gz NDQRTCFYLXDGDM-LBPRGKRZSA-N 1 1 307.325 1.948 20 5 DDBDMO COCC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980573656 696802999 /nfs/dbraw/zinc/80/29/99/696802999.db2.gz KAFMDEOADDKVCT-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO COCC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980573656 696803000 /nfs/dbraw/zinc/80/30/00/696803000.db2.gz KAFMDEOADDKVCT-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195157982 697732580 /nfs/dbraw/zinc/73/25/80/697732580.db2.gz CDONLMAPKWWTGA-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO Cc1[nH+]ccn1-c1ncccc1CNc1c([N+](=O)[O-])ncn1C ZINC000774535603 697891321 /nfs/dbraw/zinc/89/13/21/697891321.db2.gz ARIAEZCBZJHOID-UHFFFAOYSA-N 1 1 313.321 1.830 20 5 DDBDMO C[N@@H+](CCCn1ccnc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776600682 698126037 /nfs/dbraw/zinc/12/60/37/698126037.db2.gz DNVQNBLFLNBELW-HNNXBMFYSA-N 1 1 304.350 1.847 20 5 DDBDMO Cc1nn(CN2CC[NH+](Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000779858759 698476542 /nfs/dbraw/zinc/47/65/42/698476542.db2.gz AGMQFRAGBXWFIF-UHFFFAOYSA-N 1 1 321.406 1.937 20 5 DDBDMO O=C1NCC2(CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)O1 ZINC000782004910 698672426 /nfs/dbraw/zinc/67/24/26/698672426.db2.gz SJDPLJMVXIPFMU-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCNC(=O)C1 ZINC000726792078 699380675 /nfs/dbraw/zinc/38/06/75/699380675.db2.gz KDRGINFYTVIMEE-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCNC(=O)C1 ZINC000726792078 699380677 /nfs/dbraw/zinc/38/06/77/699380677.db2.gz KDRGINFYTVIMEE-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000729529338 699481841 /nfs/dbraw/zinc/48/18/41/699481841.db2.gz RNYHHSVENKTLKV-NSHDSACASA-N 1 1 315.333 1.875 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000796081341 699911131 /nfs/dbraw/zinc/91/11/31/699911131.db2.gz TUNPYINNYUAFOV-CVEARBPZSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000796081341 699911132 /nfs/dbraw/zinc/91/11/32/699911132.db2.gz TUNPYINNYUAFOV-CVEARBPZSA-N 1 1 322.361 1.510 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000763222886 700929583 /nfs/dbraw/zinc/92/95/83/700929583.db2.gz DKLMVWOVASLBQK-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000763222886 700929584 /nfs/dbraw/zinc/92/95/84/700929584.db2.gz DKLMVWOVASLBQK-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876570 700951603 /nfs/dbraw/zinc/95/16/03/700951603.db2.gz UYGFDXFLXQIWBJ-HUUCEWRRSA-N 1 1 312.366 1.346 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808228582 701509509 /nfs/dbraw/zinc/50/95/09/701509509.db2.gz VAHXTMRUEOABJW-JTQLQIEISA-N 1 1 303.322 1.099 20 5 DDBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729426 701800866 /nfs/dbraw/zinc/80/08/66/701800866.db2.gz XWHYBZIWTHZGEZ-OWCLPIDISA-N 1 1 319.405 1.924 20 5 DDBDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729426 701800871 /nfs/dbraw/zinc/80/08/71/701800871.db2.gz XWHYBZIWTHZGEZ-OWCLPIDISA-N 1 1 319.405 1.924 20 5 DDBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729426 701800877 /nfs/dbraw/zinc/80/08/77/701800877.db2.gz XWHYBZIWTHZGEZ-OWCLPIDISA-N 1 1 319.405 1.924 20 5 DDBDMO COCCN(CCF)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984819 701874308 /nfs/dbraw/zinc/87/43/08/701874308.db2.gz PFZPUQNYNCISPF-AWEZNQCLSA-N 1 1 313.329 1.213 20 5 DDBDMO C[C@H]1CCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014218 701912400 /nfs/dbraw/zinc/91/24/00/701912400.db2.gz IQELVJPGDKOIAB-NHYWBVRUSA-N 1 1 305.334 1.974 20 5 DDBDMO C[C@H]1CCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014218 701912401 /nfs/dbraw/zinc/91/24/01/701912401.db2.gz IQELVJPGDKOIAB-NHYWBVRUSA-N 1 1 305.334 1.974 20 5 DDBDMO CCOCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172515 702308403 /nfs/dbraw/zinc/30/84/03/702308403.db2.gz JDFQXEQWAKVLII-AWEZNQCLSA-N 1 1 308.334 1.749 20 5 DDBDMO CCOCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172515 702308409 /nfs/dbraw/zinc/30/84/09/702308409.db2.gz JDFQXEQWAKVLII-AWEZNQCLSA-N 1 1 308.334 1.749 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986351 704043882 /nfs/dbraw/zinc/04/38/82/704043882.db2.gz MDRQUWGJTPBOFQ-BZUAXINKSA-N 1 1 321.377 1.081 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000818986351 704043885 /nfs/dbraw/zinc/04/38/85/704043885.db2.gz MDRQUWGJTPBOFQ-BZUAXINKSA-N 1 1 321.377 1.081 20 5 DDBDMO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000855360254 704480615 /nfs/dbraw/zinc/48/06/15/704480615.db2.gz DFCZGCNYHHGSFU-ZIAGYGMSSA-N 1 1 307.350 1.181 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824714705 705513117 /nfs/dbraw/zinc/51/31/17/705513117.db2.gz FCZBSDQLHNOESJ-CQSZACIVSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000825648113 705708486 /nfs/dbraw/zinc/70/84/86/705708486.db2.gz LRODMCOXLBGCFL-GFCCVEGCSA-N 1 1 323.418 1.957 20 5 DDBDMO Cc1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000825655937 705709437 /nfs/dbraw/zinc/70/94/37/705709437.db2.gz YFKOTPNHNJRXMD-UHFFFAOYSA-N 1 1 307.350 1.242 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827234540 705957339 /nfs/dbraw/zinc/95/73/39/705957339.db2.gz YIUJSOWODZCCQP-JSGCOSHPSA-N 1 1 321.352 1.829 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000877786303 706211531 /nfs/dbraw/zinc/21/15/31/706211531.db2.gz DLJLQSPMJUJCBN-UHFFFAOYSA-N 1 1 323.349 1.493 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC000865793944 706528471 /nfs/dbraw/zinc/52/84/71/706528471.db2.gz GAGJDHMINCSBEX-SNVBAGLBSA-N 1 1 306.297 1.850 20 5 DDBDMO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879040181 706569795 /nfs/dbraw/zinc/56/97/95/706569795.db2.gz AXQBILLXDBJNAM-CYBMUJFWSA-N 1 1 313.304 1.769 20 5 DDBDMO COC(=O)N(C)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865944651 706572876 /nfs/dbraw/zinc/57/28/76/706572876.db2.gz FHDREFHKZTWGKU-UHFFFAOYSA-N 1 1 304.306 1.675 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880069691 706869769 /nfs/dbraw/zinc/86/97/69/706869769.db2.gz UJPUGFWKCZMJDK-LSDHHAIUSA-N 1 1 321.377 1.115 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146547 706892227 /nfs/dbraw/zinc/89/22/27/706892227.db2.gz UOIKTJDBTOGWEX-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146547 706892229 /nfs/dbraw/zinc/89/22/29/706892229.db2.gz UOIKTJDBTOGWEX-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1c1cc[nH+]cc1 ZINC000880263335 706925275 /nfs/dbraw/zinc/92/52/75/706925275.db2.gz WUZOKPGCOBETAL-ZDUSSCGKSA-N 1 1 316.365 1.397 20 5 DDBDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377834 706956460 /nfs/dbraw/zinc/95/64/60/706956460.db2.gz GMMNFRWPBVZAQK-ZWNOBZJWSA-N 1 1 322.390 1.833 20 5 DDBDMO C[C@@H](NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851561 707138718 /nfs/dbraw/zinc/13/87/18/707138718.db2.gz ZNSKQJCHWGVXDI-TZMCWYRMSA-N 1 1 322.409 1.674 20 5 DDBDMO C[C@@H](NC[C@H]1CCC[N@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851561 707138720 /nfs/dbraw/zinc/13/87/20/707138720.db2.gz ZNSKQJCHWGVXDI-TZMCWYRMSA-N 1 1 322.409 1.674 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)Cn2cc(C[NH+]3CCCC3)nn2)c1 ZINC000881410574 707243751 /nfs/dbraw/zinc/24/37/51/707243751.db2.gz GCLWGUPWKAEXHO-HNNXBMFYSA-N 1 1 317.349 1.516 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000837414257 707640881 /nfs/dbraw/zinc/64/08/81/707640881.db2.gz RYZCAMDXZOZNTQ-LBPRGKRZSA-N 1 1 310.354 1.597 20 5 DDBDMO Cc1c(C[NH2+]CCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000873022740 707697775 /nfs/dbraw/zinc/69/77/75/707697775.db2.gz XZRJNJGDRHNTLB-UHFFFAOYSA-N 1 1 307.394 1.840 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000896912163 708180487 /nfs/dbraw/zinc/18/04/87/708180487.db2.gz QCLZIVWBWRPYOS-YGRLFVJLSA-N 1 1 306.322 1.891 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897222771 708260400 /nfs/dbraw/zinc/26/04/00/708260400.db2.gz XMKVGCYVANMTET-UONOGXRCSA-N 1 1 305.378 1.939 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972820 708673884 /nfs/dbraw/zinc/67/38/84/708673884.db2.gz LDRULJXSVLYEKJ-ZDUSSCGKSA-N 1 1 306.366 1.728 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972820 708673887 /nfs/dbraw/zinc/67/38/87/708673887.db2.gz LDRULJXSVLYEKJ-ZDUSSCGKSA-N 1 1 306.366 1.728 20 5 DDBDMO CC(C)(O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886036048 708686495 /nfs/dbraw/zinc/68/64/95/708686495.db2.gz SOWNNFZUDXTQRI-UHFFFAOYSA-N 1 1 309.366 1.742 20 5 DDBDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886217514 708716975 /nfs/dbraw/zinc/71/69/75/708716975.db2.gz BCRNCAHOZLJBMU-CYBMUJFWSA-N 1 1 318.377 1.726 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886589523 708783793 /nfs/dbraw/zinc/78/37/93/708783793.db2.gz YDTJMYKULRGNMB-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886589523 708783795 /nfs/dbraw/zinc/78/37/95/708783795.db2.gz YDTJMYKULRGNMB-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912912660 713122176 /nfs/dbraw/zinc/12/21/76/713122176.db2.gz CNXAHJUEVUKDBU-SNVBAGLBSA-N 1 1 307.354 1.362 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639648 710834252 /nfs/dbraw/zinc/83/42/52/710834252.db2.gz QQBZDNZCGVXUPG-UONOGXRCSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639648 710834254 /nfs/dbraw/zinc/83/42/54/710834254.db2.gz QQBZDNZCGVXUPG-UONOGXRCSA-N 1 1 317.349 1.920 20 5 DDBDMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903086831 711028157 /nfs/dbraw/zinc/02/81/57/711028157.db2.gz ANFBQHFTGIIINN-JTQLQIEISA-N 1 1 316.379 1.689 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000928569206 713232299 /nfs/dbraw/zinc/23/22/99/713232299.db2.gz LGPGDUFKVBASMC-AWEZNQCLSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000928569206 713232301 /nfs/dbraw/zinc/23/23/01/713232301.db2.gz LGPGDUFKVBASMC-AWEZNQCLSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000913534807 713248318 /nfs/dbraw/zinc/24/83/18/713248318.db2.gz LGNXYQKJJSJYJF-DTORHVGOSA-N 1 1 308.313 1.235 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000913534807 713248319 /nfs/dbraw/zinc/24/83/19/713248319.db2.gz LGNXYQKJJSJYJF-DTORHVGOSA-N 1 1 308.313 1.235 20 5 DDBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@H+]3C)c2c1 ZINC000895768125 711600672 /nfs/dbraw/zinc/60/06/72/711600672.db2.gz WUCDQCWBOVWUCZ-JTQLQIEISA-N 1 1 302.334 1.690 20 5 DDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000905116647 711941402 /nfs/dbraw/zinc/94/14/02/711941402.db2.gz HYBKRFFXXAYYLM-NSHDSACASA-N 1 1 317.267 1.677 20 5 DDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000905286201 711992786 /nfs/dbraw/zinc/99/27/86/711992786.db2.gz YAJPZEIGVXEBJW-UHFFFAOYSA-N 1 1 301.293 1.168 20 5 DDBDMO C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000908512399 712793481 /nfs/dbraw/zinc/79/34/81/712793481.db2.gz LCRNYMGACGYMND-LRDDRELGSA-N 1 1 321.377 1.619 20 5 DDBDMO COCCOCCOCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099748 713756001 /nfs/dbraw/zinc/75/60/01/713756001.db2.gz NQDSZMNTGDLRQV-UHFFFAOYSA-N 1 1 324.377 1.633 20 5 DDBDMO COCCOCCOCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099748 713756004 /nfs/dbraw/zinc/75/60/04/713756004.db2.gz NQDSZMNTGDLRQV-UHFFFAOYSA-N 1 1 324.377 1.633 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361980 713813994 /nfs/dbraw/zinc/81/39/94/713813994.db2.gz AWGXOEAAVUAMEK-UGFHNGPFSA-N 1 1 303.362 1.766 20 5 DDBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000931669028 714156345 /nfs/dbraw/zinc/15/63/45/714156345.db2.gz WRJZLLXOZRMCET-CQSZACIVSA-N 1 1 310.350 1.771 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932072782 714252604 /nfs/dbraw/zinc/25/26/04/714252604.db2.gz ZJUJYOCVVYEWFS-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO [NH3+]CC[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481779 714370149 /nfs/dbraw/zinc/37/01/49/714370149.db2.gz LOPMASGGSAWMTA-DOMZBBRYSA-N 1 1 318.377 1.371 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933440021 714589612 /nfs/dbraw/zinc/58/96/12/714589612.db2.gz XDMBIQLHULEGAH-WCQYABFASA-N 1 1 323.397 1.288 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000933760088 714666007 /nfs/dbraw/zinc/66/60/07/714666007.db2.gz OIKGAUTZLHWKBD-NHYWBVRUSA-N 1 1 307.325 1.821 20 5 DDBDMO CCOc1cc(C[N@@H+](CC)CCC(=O)NC)ccc1[N+](=O)[O-] ZINC000933863441 714686140 /nfs/dbraw/zinc/68/61/40/714686140.db2.gz YYONNMFPWIKWHV-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933913349 714700670 /nfs/dbraw/zinc/70/06/70/714700670.db2.gz BJAZEUOXMAKSPM-AWEZNQCLSA-N 1 1 323.418 1.974 20 5 DDBDMO Cc1ccc(CN2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000933993911 714717724 /nfs/dbraw/zinc/71/77/24/714717724.db2.gz RRQKCMNAAWPFBK-UHFFFAOYSA-N 1 1 306.410 1.582 20 5 DDBDMO O=C1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934160818 714757568 /nfs/dbraw/zinc/75/75/68/714757568.db2.gz CHLMFGJDDBXMPT-UHFFFAOYSA-N 1 1 321.377 1.966 20 5 DDBDMO Cc1c(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257978 714777500 /nfs/dbraw/zinc/77/75/00/714777500.db2.gz KSAIBTGNYBTRMG-DLBZAZTESA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257978 714777504 /nfs/dbraw/zinc/77/75/04/714777504.db2.gz KSAIBTGNYBTRMG-DLBZAZTESA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257978 714777506 /nfs/dbraw/zinc/77/75/06/714777506.db2.gz KSAIBTGNYBTRMG-DLBZAZTESA-N 1 1 319.405 1.934 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932526 721853728 /nfs/dbraw/zinc/85/37/28/721853728.db2.gz YQVAGGKZVBCUMK-CHWSQXEVSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932526 721853729 /nfs/dbraw/zinc/85/37/29/721853729.db2.gz YQVAGGKZVBCUMK-CHWSQXEVSA-N 1 1 305.382 1.204 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167358300 733288706 /nfs/dbraw/zinc/28/87/06/733288706.db2.gz OAJHRPKEJVTIMC-UHFFFAOYSA-N 1 1 313.239 1.737 20 5 DDBDMO CC(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087803 782350972 /nfs/dbraw/zinc/35/09/72/782350972.db2.gz UVJAINXEUSFUFD-QAALLOGESA-N 1 1 309.410 1.715 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nnc([C@@H](C)[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001121389460 782487478 /nfs/dbraw/zinc/48/74/78/782487478.db2.gz SBVMYGZGDPWITD-TUAOUCFPSA-N 1 1 310.402 1.319 20 5 DDBDMO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC000697579786 742099108 /nfs/dbraw/zinc/09/91/08/742099108.db2.gz NHDGRMSDNGPUQV-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO Cc1cc(C)c(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001126932085 742775940 /nfs/dbraw/zinc/77/59/40/742775940.db2.gz HPNXDAXXAYPIRB-UKRRQHHQSA-N 1 1 305.378 1.483 20 5 DDBDMO C[N@H+]1C[C@@]23CN(C(=O)c4cc([N+](=O)[O-])c[nH]4)C[C@]2(C1)CCCC3 ZINC001181505456 743215408 /nfs/dbraw/zinc/21/54/08/743215408.db2.gz ILRHDIZMAWAXRE-IYBDPMFKSA-N 1 1 318.377 1.871 20 5 DDBDMO CC1(C)CC(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001002789616 743419793 /nfs/dbraw/zinc/41/97/93/743419793.db2.gz WBWWFBPNMLWRES-ZIAGYGMSSA-N 1 1 309.410 1.668 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)Nc1cccnn1)c1ccccc1[N+](=O)[O-] ZINC001197513777 747183157 /nfs/dbraw/zinc/18/31/57/747183157.db2.gz DGSPKDFILVQTPR-SNVBAGLBSA-N 1 1 301.306 1.674 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169052081 762207191 /nfs/dbraw/zinc/20/71/91/762207191.db2.gz FXEDJRAZTCIFLJ-ZNMIVQPWSA-N 1 1 324.425 1.702 20 5 DDBDMO CN1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001169659971 762582803 /nfs/dbraw/zinc/58/28/03/762582803.db2.gz KVXTXBFHDJJEBC-LBPRGKRZSA-N 1 1 320.393 1.325 20 5 DDBDMO CN1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001169659971 762582808 /nfs/dbraw/zinc/58/28/08/762582808.db2.gz KVXTXBFHDJJEBC-LBPRGKRZSA-N 1 1 320.393 1.325 20 5 DDBDMO CC1(C)CC(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001086363239 761492757 /nfs/dbraw/zinc/49/27/57/761492757.db2.gz JEBHUHAPTRBUGP-FMKGYKFTSA-N 1 1 309.410 1.572 20 5 DDBDMO COc1ccc(C[C@@H](C)[NH+]2CC3(CN(C)C3)C2)c([N+](=O)[O-])c1 ZINC001170355465 766261246 /nfs/dbraw/zinc/26/12/46/766261246.db2.gz GCODTQYAKYWDJP-GFCCVEGCSA-N 1 1 305.378 1.782 20 5 DDBDMO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506995 773155257 /nfs/dbraw/zinc/15/52/57/773155257.db2.gz JMZLMYJCHMZFPJ-LSMGEYOZSA-N 1 1 307.394 1.542 20 5 DDBDMO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506995 773155259 /nfs/dbraw/zinc/15/52/59/773155259.db2.gz JMZLMYJCHMZFPJ-LSMGEYOZSA-N 1 1 307.394 1.542 20 5 DDBDMO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506995 773155261 /nfs/dbraw/zinc/15/52/61/773155261.db2.gz JMZLMYJCHMZFPJ-LSMGEYOZSA-N 1 1 307.394 1.542 20 5 DDBDMO CCC[N@H+](C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001148638715 773561559 /nfs/dbraw/zinc/56/15/59/773561559.db2.gz OLAOURMPFHSYGM-UHFFFAOYSA-N 1 1 314.411 1.204 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001148638715 773561563 /nfs/dbraw/zinc/56/15/63/773561563.db2.gz OLAOURMPFHSYGM-UHFFFAOYSA-N 1 1 314.411 1.204 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001094221680 775544182 /nfs/dbraw/zinc/54/41/82/775544182.db2.gz MMYYQGNUHRFQHD-UHFFFAOYSA-N 1 1 320.393 1.916 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](CO)C2)c1F ZINC001173188885 777036481 /nfs/dbraw/zinc/03/64/81/777036481.db2.gz HPOYHAGYPWJTRD-QWRGUYRKSA-N 1 1 312.341 1.988 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N(C)C2COC2)C1 ZINC001173234974 777065109 /nfs/dbraw/zinc/06/51/09/777065109.db2.gz VJYMVLKJIJHICO-LBPRGKRZSA-N 1 1 305.378 1.541 20 5 DDBDMO CC(=O)N(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001102409815 778122153 /nfs/dbraw/zinc/12/21/53/778122153.db2.gz WZZNSUIQAHSKDL-UHFFFAOYSA-N 1 1 306.366 1.195 20 5 DDBDMO CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450022 840210503 /nfs/dbraw/zinc/21/05/03/840210503.db2.gz MYLBGDVEYCYRMV-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001148553842 850804567 /nfs/dbraw/zinc/80/45/67/850804567.db2.gz VYISZYGHLVRCAU-LBPRGKRZSA-N 1 1 306.366 1.712 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022540 864332627 /nfs/dbraw/zinc/33/26/27/864332627.db2.gz LBJNKABUFLTMNJ-SFYZADRCSA-N 1 1 313.745 1.280 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001160152394 865702489 /nfs/dbraw/zinc/70/24/89/865702489.db2.gz ASIIMWCMJMYALW-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001160152394 865702494 /nfs/dbraw/zinc/70/24/94/865702494.db2.gz ASIIMWCMJMYALW-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001160152394 865702498 /nfs/dbraw/zinc/70/24/98/865702498.db2.gz ASIIMWCMJMYALW-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)C[C@H]1[N@H+]2C ZINC001225634006 881951465 /nfs/dbraw/zinc/95/14/65/881951465.db2.gz COYOZRZQNGJDMB-FQUUOJAGSA-N 1 1 321.333 1.535 20 5 DDBDMO COc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001225769323 882020015 /nfs/dbraw/zinc/02/00/15/882020015.db2.gz JPDPSBNYCIKCPS-UAKXVISKSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001225769323 882020033 /nfs/dbraw/zinc/02/00/33/882020033.db2.gz JPDPSBNYCIKCPS-UAKXVISKSA-N 1 1 306.318 1.786 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001336523190 868991933 /nfs/dbraw/zinc/99/19/33/868991933.db2.gz ZCZYNZZXEVCGGS-LBPRGKRZSA-N 1 1 315.333 1.115 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC([NH2+]C2COC2)C1 ZINC001164221164 869030187 /nfs/dbraw/zinc/03/01/87/869030187.db2.gz VKOQUKRCVCYYEB-UHFFFAOYSA-N 1 1 318.308 1.459 20 5 DDBDMO O=C(NCCC1(C[NH2+]C/C=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494415 869232208 /nfs/dbraw/zinc/23/22/08/869232208.db2.gz IZDSWOIGSJHMTO-WXQKJEBPSA-N 1 1 301.774 1.280 20 5 DDBDMO CC(=O)N(C)C1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001166729031 870198931 /nfs/dbraw/zinc/19/89/31/870198931.db2.gz BSBNMQSJKLWKNO-AATRIKPKSA-N 1 1 319.365 1.189 20 5 DDBDMO COC(=O)C1([NH3+])CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001166797279 870261131 /nfs/dbraw/zinc/26/11/31/870261131.db2.gz KTDZYQOCKQHYCF-UHFFFAOYSA-N 1 1 308.338 1.077 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001339316052 870442833 /nfs/dbraw/zinc/44/28/33/870442833.db2.gz GECHUHDHBHXLHO-ZLKJLUDKSA-N 1 1 319.361 1.673 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001339340144 870452411 /nfs/dbraw/zinc/45/24/11/870452411.db2.gz MOXKTVBMGJSKGB-AGIUHOORSA-N 1 1 324.429 1.802 20 5 DDBDMO Cc1cnoc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317467653 871367479 /nfs/dbraw/zinc/36/74/79/871367479.db2.gz JDNYLBRODVRFGZ-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO Cc1cnoc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317467653 871367499 /nfs/dbraw/zinc/36/74/99/871367499.db2.gz JDNYLBRODVRFGZ-UHFFFAOYSA-N 1 1 318.333 1.753 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cc1Cl ZINC001308983842 871544788 /nfs/dbraw/zinc/54/47/88/871544788.db2.gz UYLYCMNRPSDHLG-RYUDHWBXSA-N 1 1 314.769 1.671 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001348145016 874378726 /nfs/dbraw/zinc/37/87/26/874378726.db2.gz JLMLDVBFJILHMN-NEPJUHHUSA-N 1 1 322.413 1.556 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236383 882924595 /nfs/dbraw/zinc/92/45/95/882924595.db2.gz SILWLVHBSDGJPQ-SNVBAGLBSA-N 1 1 307.306 1.836 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001349907361 875447575 /nfs/dbraw/zinc/44/75/75/875447575.db2.gz DQDSGWZUOLJCSJ-JRPNMDOOSA-N 1 1 321.402 1.590 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1C1CCCC1 ZINC001350602887 875782224 /nfs/dbraw/zinc/78/22/24/875782224.db2.gz KMWUVPJAOGBRKF-LLVKDONJSA-N 1 1 321.381 1.417 20 5 DDBDMO CC(C)[N@@H+]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228603021 883567740 /nfs/dbraw/zinc/56/77/40/883567740.db2.gz HZCHEYXKMIEQDA-SNVBAGLBSA-N 1 1 308.338 1.829 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228603021 883567753 /nfs/dbraw/zinc/56/77/53/883567753.db2.gz HZCHEYXKMIEQDA-SNVBAGLBSA-N 1 1 308.338 1.829 20 5 DDBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1[N@H+]2C ZINC001233858968 887398065 /nfs/dbraw/zinc/39/80/65/887398065.db2.gz IZUYNXQVGDWGNJ-SCUASFONSA-N 1 1 321.333 1.535 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)C2)n1 ZINC001234908507 888246518 /nfs/dbraw/zinc/24/65/18/888246518.db2.gz GEAFQBYWTHKUSU-JTQLQIEISA-N 1 1 309.326 1.125 20 5 DDBDMO C[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC001290900463 913537562 /nfs/dbraw/zinc/53/75/62/913537562.db2.gz UYGRNIOCIRWHMR-WDEREUQCSA-N 1 1 321.381 1.422 20 5 DDBDMO C[N@H+]1CCC[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001248066385 893526978 /nfs/dbraw/zinc/52/69/78/893526978.db2.gz PTLQFGAGJMKHNN-MRVPVSSYSA-N 1 1 307.285 1.988 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(CCCO)CC1)C2 ZINC001254592641 896522762 /nfs/dbraw/zinc/52/27/62/896522762.db2.gz DTSODPHWVMJUQW-MRXNPFEDSA-N 1 1 305.378 1.062 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571652 214245557 /nfs/dbraw/zinc/24/55/57/214245557.db2.gz KNSRYTXLAWUNOK-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571652 214245561 /nfs/dbraw/zinc/24/55/61/214245561.db2.gz KNSRYTXLAWUNOK-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571652 214245564 /nfs/dbraw/zinc/24/55/64/214245564.db2.gz KNSRYTXLAWUNOK-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO Cc1nc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278648423 214300983 /nfs/dbraw/zinc/30/09/83/214300983.db2.gz DKSIJIXMLYTYAB-LBPRGKRZSA-N 1 1 320.393 1.988 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000305759650 231043132 /nfs/dbraw/zinc/04/31/32/231043132.db2.gz ILPWCNORGBGEOA-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000305759650 231043136 /nfs/dbraw/zinc/04/31/36/231043136.db2.gz ILPWCNORGBGEOA-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305762030 231044208 /nfs/dbraw/zinc/04/42/08/231044208.db2.gz MLEXKCSERCMKIA-GMXABZIVSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305762030 231044211 /nfs/dbraw/zinc/04/42/11/231044211.db2.gz MLEXKCSERCMKIA-GMXABZIVSA-N 1 1 321.377 1.933 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451629620 231144257 /nfs/dbraw/zinc/14/42/57/231144257.db2.gz KJAULPFUSAKPPH-TYNCELHUSA-N 1 1 318.377 1.558 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452067094 231289016 /nfs/dbraw/zinc/28/90/16/231289016.db2.gz LWLHJQPXAYUXRN-FZMZJTMJSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452067094 231289021 /nfs/dbraw/zinc/28/90/21/231289021.db2.gz LWLHJQPXAYUXRN-FZMZJTMJSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248528 529485533 /nfs/dbraw/zinc/48/55/33/529485533.db2.gz DEGIQWNYCRFFRP-DUVNUKRYSA-N 1 1 324.377 1.427 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452366034 231362770 /nfs/dbraw/zinc/36/27/70/231362770.db2.gz OGUDFUXMQMJROY-HNNXBMFYSA-N 1 1 321.377 1.100 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000254977555 282222206 /nfs/dbraw/zinc/22/22/06/282222206.db2.gz OJGMQQHPLDMZLT-YVMONPNESA-N 1 1 301.346 1.915 20 5 DDBDMO CC1(C)CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614923651 362081214 /nfs/dbraw/zinc/08/12/14/362081214.db2.gz PMNIJPGDVXCDDB-UHFFFAOYSA-N 1 1 311.357 1.622 20 5 DDBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550318 185302245 /nfs/dbraw/zinc/30/22/45/185302245.db2.gz SVLIWMZTHGHALV-ZIAGYGMSSA-N 1 1 323.393 1.892 20 5 DDBDMO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000563821271 303975954 /nfs/dbraw/zinc/97/59/54/303975954.db2.gz QBJIKQSUAFPMTP-RYUDHWBXSA-N 1 1 318.333 1.894 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266191721 282300864 /nfs/dbraw/zinc/30/08/64/282300864.db2.gz MMRWKOBSPZODQD-CQSZACIVSA-N 1 1 305.378 1.938 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491889105 530057139 /nfs/dbraw/zinc/05/71/39/530057139.db2.gz UURSUSVHMRGDDF-SCXUMTSISA-N 1 1 307.325 1.958 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491889104 530063010 /nfs/dbraw/zinc/06/30/10/530063010.db2.gz UURSUSVHMRGDDF-IYNGYCSASA-N 1 1 307.325 1.958 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181943819 199366771 /nfs/dbraw/zinc/36/67/71/199366771.db2.gz ILUOZQZLESQXEL-KGLIPLIRSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000358391866 299140437 /nfs/dbraw/zinc/14/04/37/299140437.db2.gz ITIQALUXLALPCD-ZYHUDNBSSA-N 1 1 309.341 1.875 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000286995002 219259667 /nfs/dbraw/zinc/25/96/67/219259667.db2.gz UHDYWBPAFCSRAY-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO Cc1c(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358444987 299153675 /nfs/dbraw/zinc/15/36/75/299153675.db2.gz WSFLGYIXUXMIBL-AWEZNQCLSA-N 1 1 308.338 1.091 20 5 DDBDMO C[N@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000279956608 215268212 /nfs/dbraw/zinc/26/82/12/215268212.db2.gz ZQRSQRVPTYRVPQ-UHFFFAOYSA-N 1 1 318.377 1.121 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152411959 186069971 /nfs/dbraw/zinc/06/99/71/186069971.db2.gz WXOOBVFQPQUXEZ-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO COc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155790711 186113078 /nfs/dbraw/zinc/11/30/78/186113078.db2.gz YPHSYEARDHOPMK-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272441891 209845577 /nfs/dbraw/zinc/84/55/77/209845577.db2.gz MOIAQYDCXSMDHP-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181883873 186214788 /nfs/dbraw/zinc/21/47/88/186214788.db2.gz HQTWBPQFXXAAQZ-SNVBAGLBSA-N 1 1 307.306 1.148 20 5 DDBDMO CC(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CC[NH+](C)CC1 ZINC000046551957 352455985 /nfs/dbraw/zinc/45/59/85/352455985.db2.gz SODDSCDXGBUEKV-GFCCVEGCSA-N 1 1 310.402 1.012 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060670051 352878667 /nfs/dbraw/zinc/87/86/67/352878667.db2.gz KLTUWDHVYUVGKW-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331908263 234262138 /nfs/dbraw/zinc/26/21/38/234262138.db2.gz ALQZSRQGYVHPQL-NXEZZACHSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331908263 234262143 /nfs/dbraw/zinc/26/21/43/234262143.db2.gz ALQZSRQGYVHPQL-NXEZZACHSA-N 1 1 317.349 1.636 20 5 DDBDMO CNC(=O)c1ccc(NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913119 353135826 /nfs/dbraw/zinc/13/58/26/353135826.db2.gz SLBSGDPENHYJTQ-JTQLQIEISA-N 1 1 306.366 1.849 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000072811020 353216603 /nfs/dbraw/zinc/21/66/03/353216603.db2.gz ANUWQWHOPWDAFT-BARDWOONSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000072811020 353216604 /nfs/dbraw/zinc/21/66/04/353216604.db2.gz ANUWQWHOPWDAFT-BARDWOONSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000072811020 353216605 /nfs/dbraw/zinc/21/66/05/353216605.db2.gz ANUWQWHOPWDAFT-BARDWOONSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000074105052 353292684 /nfs/dbraw/zinc/29/26/84/353292684.db2.gz LGOXGBKTHOBZIN-GFCCVEGCSA-N 1 1 307.350 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000174539713 198350164 /nfs/dbraw/zinc/35/01/64/198350164.db2.gz MUEPRFVLRLVHMT-FGWVZKOKSA-N 1 1 321.381 1.625 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C[C@@H](C)O ZINC000174618386 198361003 /nfs/dbraw/zinc/36/10/03/198361003.db2.gz JAQKOEHUGGLUBW-MNOVXSKESA-N 1 1 311.338 1.105 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C[C@@H](C)O ZINC000174618386 198361004 /nfs/dbraw/zinc/36/10/04/198361004.db2.gz JAQKOEHUGGLUBW-MNOVXSKESA-N 1 1 311.338 1.105 20 5 DDBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000077934081 353497473 /nfs/dbraw/zinc/49/74/73/353497473.db2.gz VPAONYNDLPJASJ-SNVBAGLBSA-N 1 1 320.349 1.815 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000079604003 353569665 /nfs/dbraw/zinc/56/96/65/353569665.db2.gz BQENGVXURUUPII-XHSDSOJGSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000079604003 353569666 /nfs/dbraw/zinc/56/96/66/353569666.db2.gz BQENGVXURUUPII-XHSDSOJGSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000079604003 353569669 /nfs/dbraw/zinc/56/96/69/353569669.db2.gz BQENGVXURUUPII-XHSDSOJGSA-N 1 1 317.389 1.475 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000081290876 353660778 /nfs/dbraw/zinc/66/07/78/353660778.db2.gz XVCXXIHSRXECRV-LBPRGKRZSA-N 1 1 321.381 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000088606094 353756694 /nfs/dbraw/zinc/75/66/94/353756694.db2.gz BMIKLALAVOVTCW-HNNXBMFYSA-N 1 1 302.334 1.211 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000088606094 353756696 /nfs/dbraw/zinc/75/66/96/353756696.db2.gz BMIKLALAVOVTCW-HNNXBMFYSA-N 1 1 302.334 1.211 20 5 DDBDMO C[C@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090526533 353794745 /nfs/dbraw/zinc/79/47/45/353794745.db2.gz VSPWEGBYSJDDKX-ZDUSSCGKSA-N 1 1 323.393 1.772 20 5 DDBDMO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000124876406 354042572 /nfs/dbraw/zinc/04/25/72/354042572.db2.gz FFKVGDUWMIBWBY-IUCAKERBSA-N 1 1 317.342 1.282 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293110151 354453862 /nfs/dbraw/zinc/45/38/62/354453862.db2.gz LPLSHKMSVGJUCD-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293110151 354453866 /nfs/dbraw/zinc/45/38/66/354453866.db2.gz LPLSHKMSVGJUCD-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405314984 354678291 /nfs/dbraw/zinc/67/82/91/354678291.db2.gz QWCWAVNIMZNHNS-QWHCGFSZSA-N 1 1 305.334 1.053 20 5 DDBDMO C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000601308745 358489704 /nfs/dbraw/zinc/48/97/04/358489704.db2.gz CTGJSSKEPODRNP-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CCC([N@@H+](C)CCCO)CC1 ZINC000590584457 355121023 /nfs/dbraw/zinc/12/10/23/355121023.db2.gz ITQRAQVGOFOXSE-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO C[NH+](C)C1(CS(=O)(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000601321437 358494863 /nfs/dbraw/zinc/49/48/63/358494863.db2.gz NBKDFXWSHRJFEE-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000591004640 355231199 /nfs/dbraw/zinc/23/11/99/355231199.db2.gz BULOZFALJYNHAU-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000591004640 355231200 /nfs/dbraw/zinc/23/12/00/355231200.db2.gz BULOZFALJYNHAU-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893459 355414505 /nfs/dbraw/zinc/41/45/05/355414505.db2.gz YKEJWFKTCDVTSV-GHMZBOCLSA-N 1 1 307.354 1.231 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000593033286 355775056 /nfs/dbraw/zinc/77/50/56/355775056.db2.gz LVDWBFPDESQXIN-CYBMUJFWSA-N 1 1 305.382 1.206 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2(CCC2)CO1 ZINC000593090662 355791853 /nfs/dbraw/zinc/79/18/53/355791853.db2.gz BZBKXEMKJBPNHQ-GFCCVEGCSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2(CCC2)CO1 ZINC000593090662 355791860 /nfs/dbraw/zinc/79/18/60/355791860.db2.gz BZBKXEMKJBPNHQ-GFCCVEGCSA-N 1 1 307.350 1.400 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000593188343 355820956 /nfs/dbraw/zinc/82/09/56/355820956.db2.gz DHWAWRGMLVUYSP-UTUOFQBUSA-N 1 1 323.397 1.429 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593483544 355899714 /nfs/dbraw/zinc/89/97/14/355899714.db2.gz ZWHRDRQQQKASHO-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594392611 356195089 /nfs/dbraw/zinc/19/50/89/356195089.db2.gz IOUFXZSQMSRJAR-UONOGXRCSA-N 1 1 319.361 1.048 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418450 356203940 /nfs/dbraw/zinc/20/39/40/356203940.db2.gz JBAFFCZSRDJNJH-QWRGUYRKSA-N 1 1 307.354 1.373 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594539415 356245608 /nfs/dbraw/zinc/24/56/08/356245608.db2.gz MXCVXNNDJLTUGC-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019554 356373096 /nfs/dbraw/zinc/37/30/96/356373096.db2.gz QXZWBVXBCNAQGA-CHWSQXEVSA-N 1 1 323.393 1.975 20 5 DDBDMO COCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019554 356373099 /nfs/dbraw/zinc/37/30/99/356373099.db2.gz QXZWBVXBCNAQGA-CHWSQXEVSA-N 1 1 323.393 1.975 20 5 DDBDMO CCCNC(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595291474 356436334 /nfs/dbraw/zinc/43/63/34/356436334.db2.gz YXBWXIABMHFXRR-UHFFFAOYSA-N 1 1 310.354 1.629 20 5 DDBDMO CO[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC000595423133 356486442 /nfs/dbraw/zinc/48/64/42/356486442.db2.gz JNELLYZVTAEFPK-ABAIWWIYSA-N 1 1 307.350 1.399 20 5 DDBDMO CO[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@@H]1CCOC1 ZINC000595423133 356486446 /nfs/dbraw/zinc/48/64/46/356486446.db2.gz JNELLYZVTAEFPK-ABAIWWIYSA-N 1 1 307.350 1.399 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000595546731 356543713 /nfs/dbraw/zinc/54/37/13/356543713.db2.gz QNADSUNLATZVHI-LBPRGKRZSA-N 1 1 322.365 1.868 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000595546731 356543716 /nfs/dbraw/zinc/54/37/16/356543716.db2.gz QNADSUNLATZVHI-LBPRGKRZSA-N 1 1 322.365 1.868 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595660251 356596555 /nfs/dbraw/zinc/59/65/55/356596555.db2.gz TVJYGDFAFWBDRL-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595734851 356627499 /nfs/dbraw/zinc/62/74/99/356627499.db2.gz CCNCDPOVGGYQCJ-GFCCVEGCSA-N 1 1 323.349 1.271 20 5 DDBDMO COc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000596123177 356781918 /nfs/dbraw/zinc/78/19/18/356781918.db2.gz LFJNYJXJESWWKG-CYBMUJFWSA-N 1 1 322.409 1.960 20 5 DDBDMO C[N@@H+](CCCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596260841 356835598 /nfs/dbraw/zinc/83/55/98/356835598.db2.gz LJZKCLQPRGESPS-UHFFFAOYSA-N 1 1 306.366 1.980 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596265211 356838011 /nfs/dbraw/zinc/83/80/11/356838011.db2.gz HAXWOIOMUGUTNG-UHFFFAOYSA-N 1 1 306.366 1.980 20 5 DDBDMO Cc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000597202441 357090937 /nfs/dbraw/zinc/09/09/37/357090937.db2.gz AYSPWFSNOOONHB-OAHLLOKOSA-N 1 1 305.378 1.810 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000597859616 357361052 /nfs/dbraw/zinc/36/10/52/357361052.db2.gz WITWWHKSYVYJDB-JTQLQIEISA-N 1 1 306.366 1.780 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597859538 357361241 /nfs/dbraw/zinc/36/12/41/357361241.db2.gz FFAVXBWBFWLNAE-NSHDSACASA-N 1 1 306.366 1.840 20 5 DDBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598042565 357439081 /nfs/dbraw/zinc/43/90/81/357439081.db2.gz PSFJWMCSRNONPV-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598218997 357497360 /nfs/dbraw/zinc/49/73/60/357497360.db2.gz KKOYTSMLHQAABP-JTQLQIEISA-N 1 1 307.354 1.455 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714061 357700838 /nfs/dbraw/zinc/70/08/38/357700838.db2.gz FIOWTXGWDFOTGB-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199468 357848005 /nfs/dbraw/zinc/84/80/05/357848005.db2.gz LPSGVMSQCJCSPY-NSHDSACASA-N 1 1 302.334 1.043 20 5 DDBDMO Cc1nc2n(n1)C[C@H](Nc1cc[nH+]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000601110252 358405313 /nfs/dbraw/zinc/40/53/13/358405313.db2.gz AXWDVMMAEJGCLJ-LLVKDONJSA-N 1 1 324.344 1.892 20 5 DDBDMO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601150536 358422392 /nfs/dbraw/zinc/42/23/92/358422392.db2.gz YZWPOZXWYRKVLR-MRXNPFEDSA-N 1 1 317.345 1.996 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775615 358689708 /nfs/dbraw/zinc/68/97/08/358689708.db2.gz GMVPMGCBAMOCIP-HNNXBMFYSA-N 1 1 309.366 1.260 20 5 DDBDMO O=[N+]([O-])c1nccn1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601965308 358755977 /nfs/dbraw/zinc/75/59/77/358755977.db2.gz UAPAUJNZAZIPRZ-OAHLLOKOSA-N 1 1 302.334 1.428 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602456377 358989783 /nfs/dbraw/zinc/98/97/83/358989783.db2.gz YLLWANNVJFAMGO-LBPRGKRZSA-N 1 1 323.397 1.313 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602456377 358989785 /nfs/dbraw/zinc/98/97/85/358989785.db2.gz YLLWANNVJFAMGO-LBPRGKRZSA-N 1 1 323.397 1.313 20 5 DDBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602635833 359089559 /nfs/dbraw/zinc/08/95/59/359089559.db2.gz CCEKWIIVBNMOKE-OAHLLOKOSA-N 1 1 324.381 1.740 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182703 /nfs/dbraw/zinc/18/27/03/359182703.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182727 /nfs/dbraw/zinc/18/27/27/359182727.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182731 /nfs/dbraw/zinc/18/27/31/359182731.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 1 1 309.414 1.904 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000602834801 359226810 /nfs/dbraw/zinc/22/68/10/359226810.db2.gz DBHAWFYFOGUPOM-OAHLLOKOSA-N 1 1 307.398 1.517 20 5 DDBDMO CS[C@@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602797269 359198934 /nfs/dbraw/zinc/19/89/34/359198934.db2.gz IBPQQAYJLGVXTI-NWDGAFQWSA-N 1 1 313.427 1.077 20 5 DDBDMO CS[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602797269 359198940 /nfs/dbraw/zinc/19/89/40/359198940.db2.gz IBPQQAYJLGVXTI-NWDGAFQWSA-N 1 1 313.427 1.077 20 5 DDBDMO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000602808366 359205297 /nfs/dbraw/zinc/20/52/97/359205297.db2.gz YJBRVSKIXCSVGF-LBPRGKRZSA-N 1 1 309.370 1.065 20 5 DDBDMO Cn1cc(CN[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822940 359217234 /nfs/dbraw/zinc/21/72/34/359217234.db2.gz HJXFEDOHUVNYHR-LSDHHAIUSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cc(CN[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822940 359217238 /nfs/dbraw/zinc/21/72/38/359217238.db2.gz HJXFEDOHUVNYHR-LSDHHAIUSA-N 1 1 315.377 1.863 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000602949334 359315033 /nfs/dbraw/zinc/31/50/33/359315033.db2.gz YKBDPJGSDPBLLM-UHFFFAOYSA-N 1 1 307.354 1.278 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141256 359430032 /nfs/dbraw/zinc/43/00/32/359430032.db2.gz FCMBGUPMOWGMEX-LLVKDONJSA-N 1 1 323.397 1.439 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141256 359430036 /nfs/dbraw/zinc/43/00/36/359430036.db2.gz FCMBGUPMOWGMEX-LLVKDONJSA-N 1 1 323.397 1.439 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186813288 200014928 /nfs/dbraw/zinc/01/49/28/200014928.db2.gz BKKWDKCNUVSCTD-UHFFFAOYSA-N 1 1 307.350 1.628 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000603402027 359617412 /nfs/dbraw/zinc/61/74/12/359617412.db2.gz LNTLALXWOAPWBU-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186954876 200037872 /nfs/dbraw/zinc/03/78/72/200037872.db2.gz QPAILHDQOPQQMG-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186954876 200037873 /nfs/dbraw/zinc/03/78/73/200037873.db2.gz QPAILHDQOPQQMG-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187592608 200132171 /nfs/dbraw/zinc/13/21/71/200132171.db2.gz FZHXHBZMTOXQAF-INIZCTEOSA-N 1 1 321.377 1.678 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604278113 359732443 /nfs/dbraw/zinc/73/24/43/359732443.db2.gz HQHKMXZLOPSYGZ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604278113 359732447 /nfs/dbraw/zinc/73/24/47/359732447.db2.gz HQHKMXZLOPSYGZ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000609269645 360285615 /nfs/dbraw/zinc/28/56/15/360285615.db2.gz UHUZLFGDZFDJOD-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281208481 216153587 /nfs/dbraw/zinc/15/35/87/216153587.db2.gz SHYKSTFTRNIZQO-OAHLLOKOSA-N 1 1 307.350 1.432 20 5 DDBDMO CN(CC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000610292836 360410993 /nfs/dbraw/zinc/41/09/93/360410993.db2.gz QJOJKEIKAZPASC-LBPRGKRZSA-N 1 1 306.366 1.241 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000611287539 360689896 /nfs/dbraw/zinc/68/98/96/360689896.db2.gz HFCOGYMXJSLJBM-GXFFZTMASA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611680915 360790815 /nfs/dbraw/zinc/79/08/15/360790815.db2.gz JKNLWEVGYNAYQO-ZDUSSCGKSA-N 1 1 320.393 1.362 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000612778501 361142548 /nfs/dbraw/zinc/14/25/48/361142548.db2.gz LVZLZLUYQLTMEU-ZDUSSCGKSA-N 1 1 307.354 1.076 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(C)=O)CC1 ZINC000619531330 364049799 /nfs/dbraw/zinc/04/97/99/364049799.db2.gz LGDVDOPNFIMCSO-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000350764128 284257000 /nfs/dbraw/zinc/25/70/00/284257000.db2.gz OCZHPQOVCHXRQF-AWEZNQCLSA-N 1 1 307.398 1.455 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111912 205107711 /nfs/dbraw/zinc/10/77/11/205107711.db2.gz VGVKNXXJQLGLJW-ONGXEEELSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111912 205107713 /nfs/dbraw/zinc/10/77/13/205107713.db2.gz VGVKNXXJQLGLJW-ONGXEEELSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111912 205107718 /nfs/dbraw/zinc/10/77/18/205107718.db2.gz VGVKNXXJQLGLJW-ONGXEEELSA-N 1 1 309.370 1.429 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000271865282 209278395 /nfs/dbraw/zinc/27/83/95/209278395.db2.gz JCTHCFDCNNYAMF-UHFFFAOYSA-N 1 1 318.377 1.698 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000274074022 211331955 /nfs/dbraw/zinc/33/19/55/211331955.db2.gz VGCYSLPDSMHFMC-ZDUSSCGKSA-N 1 1 304.350 1.631 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000274074022 211331958 /nfs/dbraw/zinc/33/19/58/211331958.db2.gz VGCYSLPDSMHFMC-ZDUSSCGKSA-N 1 1 304.350 1.631 20 5 DDBDMO Cc1ccc([C@@H](C)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847713 207014297 /nfs/dbraw/zinc/01/42/97/207014297.db2.gz BQBWEFGGCYOTGC-HIFRSBDPSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1ccc([C@@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847713 207014303 /nfs/dbraw/zinc/01/43/03/207014303.db2.gz BQBWEFGGCYOTGC-HIFRSBDPSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340982359 251317835 /nfs/dbraw/zinc/31/78/35/251317835.db2.gz YTDXEHQHVMOBQV-JQWIXIFHSA-N 1 1 307.350 1.687 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)CC1CC1 ZINC000352479060 285080471 /nfs/dbraw/zinc/08/04/71/285080471.db2.gz AFFUJSPQDKNMKU-ZDUSSCGKSA-N 1 1 310.350 1.039 20 5 DDBDMO CNc1nc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458216831 533076816 /nfs/dbraw/zinc/07/68/16/533076816.db2.gz VPLPULVINRFJCW-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288731357 220377528 /nfs/dbraw/zinc/37/75/28/220377528.db2.gz DZRQLJBNZDCQAO-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288731357 220377532 /nfs/dbraw/zinc/37/75/32/220377532.db2.gz DZRQLJBNZDCQAO-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352662261 285206310 /nfs/dbraw/zinc/20/63/10/285206310.db2.gz XZCYHPJLRHQGIV-JSGCOSHPSA-N 1 1 323.349 1.387 20 5 DDBDMO O=C(NCCCCC[NH+]1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000155036845 197016235 /nfs/dbraw/zinc/01/62/35/197016235.db2.gz ORVORNSYMBKEJU-UHFFFAOYSA-N 1 1 309.370 1.704 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798025 285307768 /nfs/dbraw/zinc/30/77/68/285307768.db2.gz WYQUJYBNQKUMCP-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000352914892 285384341 /nfs/dbraw/zinc/38/43/41/285384341.db2.gz MSIUHKSGNYGFSV-JTQLQIEISA-N 1 1 304.306 1.363 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332302 407321567 /nfs/dbraw/zinc/32/15/67/407321567.db2.gz VKHAWOBRMHBUEZ-LBPRGKRZSA-N 1 1 323.397 1.375 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000097617059 407300470 /nfs/dbraw/zinc/30/04/70/407300470.db2.gz BDGMUYANRVYNAE-UHFFFAOYSA-N 1 1 323.349 1.390 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101631741 407312937 /nfs/dbraw/zinc/31/29/37/407312937.db2.gz HYXZZGUQFIYTNJ-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000103284357 407336304 /nfs/dbraw/zinc/33/63/04/407336304.db2.gz CYMNYYJODXLQQZ-CMPLNLGQSA-N 1 1 307.350 1.689 20 5 DDBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000111917755 407419798 /nfs/dbraw/zinc/41/97/98/407419798.db2.gz KOQSGIJDWIVROH-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO C[NH+]1CCC(O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000265897552 407502975 /nfs/dbraw/zinc/50/29/75/407502975.db2.gz UAPXEYWABHAKSH-UHFFFAOYSA-N 1 1 313.785 1.795 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270968057 407442695 /nfs/dbraw/zinc/44/26/95/407442695.db2.gz VTLDDFAQAVVHFE-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000266791222 407634903 /nfs/dbraw/zinc/63/49/03/407634903.db2.gz SOYQKJIRAYWMDA-UHFFFAOYSA-N 1 1 320.393 1.921 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000261736389 407596062 /nfs/dbraw/zinc/59/60/62/407596062.db2.gz RRVNTUIWIANPCV-VIFPVBQESA-N 1 1 317.342 1.154 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115548919 407687796 /nfs/dbraw/zinc/68/77/96/407687796.db2.gz RGLHVUJRRSZPIQ-UHFFFAOYSA-N 1 1 321.421 1.916 20 5 DDBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266980386 407703295 /nfs/dbraw/zinc/70/32/95/407703295.db2.gz PVYMDSKWGZHGSN-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266980386 407703296 /nfs/dbraw/zinc/70/32/96/407703296.db2.gz PVYMDSKWGZHGSN-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262034281 407719150 /nfs/dbraw/zinc/71/91/50/407719150.db2.gz SRTSVAJICJNNOC-ZDUSSCGKSA-N 1 1 301.306 1.105 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000272049784 407756134 /nfs/dbraw/zinc/75/61/34/407756134.db2.gz ZCOMKRRTESDFEO-UHFFFAOYSA-N 1 1 318.377 1.775 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000267343405 407840987 /nfs/dbraw/zinc/84/09/87/407840987.db2.gz CYSLXTMDQQTEGE-LBPRGKRZSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000267343405 407840994 /nfs/dbraw/zinc/84/09/94/407840994.db2.gz CYSLXTMDQQTEGE-LBPRGKRZSA-N 1 1 320.267 1.973 20 5 DDBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1C1CC1 ZINC000133535421 407855562 /nfs/dbraw/zinc/85/55/62/407855562.db2.gz DVHHENDGNCALHP-BDAKNGLRSA-N 1 1 305.338 1.126 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187689248 407881241 /nfs/dbraw/zinc/88/12/41/407881241.db2.gz OJOBZOQDJNVMET-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000134055006 407884892 /nfs/dbraw/zinc/88/48/92/407884892.db2.gz RTOORFLEXWVDHX-BXUZGUMPSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000134055006 407884899 /nfs/dbraw/zinc/88/48/99/407884899.db2.gz RTOORFLEXWVDHX-BXUZGUMPSA-N 1 1 322.365 1.113 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000154063442 407966009 /nfs/dbraw/zinc/96/60/09/407966009.db2.gz RKRPNULOVPSKQG-MGPQQGTHSA-N 1 1 324.377 1.752 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154089205 407968659 /nfs/dbraw/zinc/96/86/59/407968659.db2.gz PMDWWHDUJLPHIJ-HNNXBMFYSA-N 1 1 321.377 1.772 20 5 DDBDMO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272542554 407973187 /nfs/dbraw/zinc/97/31/87/407973187.db2.gz OBFZMDZAHAUTDN-GFCCVEGCSA-N 1 1 307.350 1.905 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272542554 407973189 /nfs/dbraw/zinc/97/31/89/407973189.db2.gz OBFZMDZAHAUTDN-GFCCVEGCSA-N 1 1 307.350 1.905 20 5 DDBDMO CC(C)[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272549128 407979573 /nfs/dbraw/zinc/97/95/73/407979573.db2.gz GTLQTPZMCNGWRC-UHFFFAOYSA-N 1 1 307.350 1.903 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000153938099 407936836 /nfs/dbraw/zinc/93/68/36/407936836.db2.gz DQMUTQAIIJRNGG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272585474 407994814 /nfs/dbraw/zinc/99/48/14/407994814.db2.gz OQTNCUVLCYPROO-UHFFFAOYSA-N 1 1 319.361 1.905 20 5 DDBDMO COC(=O)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000154273032 408009478 /nfs/dbraw/zinc/00/94/78/408009478.db2.gz XXGDULIAXUFTMA-AWEZNQCLSA-N 1 1 310.350 1.902 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000155614126 408187086 /nfs/dbraw/zinc/18/70/86/408187086.db2.gz UOWUQDNKHNMXDO-UHFFFAOYSA-N 1 1 307.397 1.275 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246306145 408213692 /nfs/dbraw/zinc/21/36/92/408213692.db2.gz FRXWNAIAJNWQQY-GHMZBOCLSA-N 1 1 323.349 1.663 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000190371927 408232249 /nfs/dbraw/zinc/23/22/49/408232249.db2.gz JUXRGGWZYHVNBA-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000269479664 408324574 /nfs/dbraw/zinc/32/45/74/408324574.db2.gz XXHRWAJPQIWJQR-OAHLLOKOSA-N 1 1 321.377 1.562 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c2ccncc21 ZINC000269490235 408328111 /nfs/dbraw/zinc/32/81/11/408328111.db2.gz NUGAHSWVGPXQRR-LBPRGKRZSA-N 1 1 313.361 1.555 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333247 408271782 /nfs/dbraw/zinc/27/17/82/408271782.db2.gz ATGZKHRKRVHBSG-MNOVXSKESA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333247 408271788 /nfs/dbraw/zinc/27/17/88/408271788.db2.gz ATGZKHRKRVHBSG-MNOVXSKESA-N 1 1 323.397 1.996 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCO2 ZINC000176196527 408306009 /nfs/dbraw/zinc/30/60/09/408306009.db2.gz YPKGCWCSFCYKMG-UHFFFAOYSA-N 1 1 304.306 1.652 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197054 408350749 /nfs/dbraw/zinc/35/07/49/408350749.db2.gz MVDYXJUNXOXCFN-NWDGAFQWSA-N 1 1 310.350 1.685 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806423 162242669 /nfs/dbraw/zinc/24/26/69/162242669.db2.gz HDJUYRVMSFEWGU-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806423 162242672 /nfs/dbraw/zinc/24/26/72/162242672.db2.gz HDJUYRVMSFEWGU-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806423 162242673 /nfs/dbraw/zinc/24/26/73/162242673.db2.gz HDJUYRVMSFEWGU-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177081898 408513674 /nfs/dbraw/zinc/51/36/74/408513674.db2.gz XZISOKHRSOTQCL-WPRPVWTQSA-N 1 1 322.340 1.671 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000183961673 408518204 /nfs/dbraw/zinc/51/82/04/408518204.db2.gz QDIIVWSBWNFPHS-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000248344539 408551517 /nfs/dbraw/zinc/55/15/17/408551517.db2.gz LSQFRHMNRDIBEM-UWVGGRQHSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000248344539 408551520 /nfs/dbraw/zinc/55/15/20/408551520.db2.gz LSQFRHMNRDIBEM-UWVGGRQHSA-N 1 1 321.333 1.992 20 5 DDBDMO COc1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000270566142 408581709 /nfs/dbraw/zinc/58/17/09/408581709.db2.gz RSPHULVCQSUPCH-LLVKDONJSA-N 1 1 324.255 1.712 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1CCOC ZINC000265319936 408614091 /nfs/dbraw/zinc/61/40/91/408614091.db2.gz KNMQHKBVAIBYQP-LLVKDONJSA-N 1 1 311.338 1.371 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1CCOC ZINC000265319936 408614095 /nfs/dbraw/zinc/61/40/95/408614095.db2.gz KNMQHKBVAIBYQP-LLVKDONJSA-N 1 1 311.338 1.371 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000265465409 408661421 /nfs/dbraw/zinc/66/14/21/408661421.db2.gz HTEGEGKBIVJAOW-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248943493 408664158 /nfs/dbraw/zinc/66/41/58/408664158.db2.gz CZQCZPOLZLBHOQ-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248943493 408664161 /nfs/dbraw/zinc/66/41/61/408664161.db2.gz CZQCZPOLZLBHOQ-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000270898544 408732044 /nfs/dbraw/zinc/73/20/44/408732044.db2.gz FAHJOKXYWHDTHV-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)C3CCC3)n2)cc1 ZINC000275793363 408680290 /nfs/dbraw/zinc/68/02/90/408680290.db2.gz FFZCWRMPSFJLKA-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)C3CCC3)n2)cc1 ZINC000275793363 408680298 /nfs/dbraw/zinc/68/02/98/408680298.db2.gz FFZCWRMPSFJLKA-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000185338475 408797503 /nfs/dbraw/zinc/79/75/03/408797503.db2.gz KKZIFZPUZSYYOF-UHFFFAOYSA-N 1 1 310.354 1.339 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177980415 408750139 /nfs/dbraw/zinc/75/01/39/408750139.db2.gz GWYZBSVMSUTXLU-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CC)C(=O)OCC ZINC000276805859 408901111 /nfs/dbraw/zinc/90/11/11/408901111.db2.gz MPDWFXUHUJMPKI-GFCCVEGCSA-N 1 1 312.370 1.845 20 5 DDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CC)C(=O)OCC ZINC000276805859 408901114 /nfs/dbraw/zinc/90/11/14/408901114.db2.gz MPDWFXUHUJMPKI-GFCCVEGCSA-N 1 1 312.370 1.845 20 5 DDBDMO Cc1cc(OCC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000281799354 408931643 /nfs/dbraw/zinc/93/16/43/408931643.db2.gz VGWZIRIIGSBSIT-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291992231 408957649 /nfs/dbraw/zinc/95/76/49/408957649.db2.gz WXKLQIDYYJDNME-KGLIPLIRSA-N 1 1 324.377 1.834 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000277556357 408965700 /nfs/dbraw/zinc/96/57/00/408965700.db2.gz JJNCMZWRRBFVCG-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286338829 408967057 /nfs/dbraw/zinc/96/70/57/408967057.db2.gz FAMUJIGAQJNBMP-YRGRVCCFSA-N 1 1 310.350 1.180 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287356921 409024635 /nfs/dbraw/zinc/02/46/35/409024635.db2.gz LPQWHCXYRIHHQV-HUUCEWRRSA-N 1 1 324.377 1.700 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCCCO ZINC000278956881 409120720 /nfs/dbraw/zinc/12/07/20/409120720.db2.gz WKKJYSYPFFQLAD-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000287975364 409124401 /nfs/dbraw/zinc/12/44/01/409124401.db2.gz RBQGCZDGMXWOIK-LBPRGKRZSA-N 1 1 320.393 1.845 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283448848 409159299 /nfs/dbraw/zinc/15/92/99/409159299.db2.gz KOVZDQBVXCYFSA-UHFFFAOYSA-N 1 1 312.345 1.776 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCC1 ZINC000279501110 409226139 /nfs/dbraw/zinc/22/61/39/409226139.db2.gz SOSHWONXVLVJTD-UHFFFAOYSA-N 1 1 324.356 1.920 20 5 DDBDMO Cc1cccc(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000294312440 409275931 /nfs/dbraw/zinc/27/59/31/409275931.db2.gz XUGXDKMRDNWTGM-UHFFFAOYSA-N 1 1 320.393 1.271 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280291605 409286724 /nfs/dbraw/zinc/28/67/24/409286724.db2.gz FFEQEONMFCTILK-AWEZNQCLSA-N 1 1 317.349 1.340 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295189550 409364846 /nfs/dbraw/zinc/36/48/46/409364846.db2.gz JHQJMVCEXRGKPQ-UHFFFAOYSA-N 1 1 309.366 1.874 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285326944 409408734 /nfs/dbraw/zinc/40/87/34/409408734.db2.gz RWOZACUMANJVNN-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(NCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000296174059 409453038 /nfs/dbraw/zinc/45/30/38/409453038.db2.gz ZPYSGEISZVZEAU-UHFFFAOYSA-N 1 1 301.293 1.742 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290624888 409466717 /nfs/dbraw/zinc/46/67/17/409466717.db2.gz LVNWSEMRXUOHKJ-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286341 164027237 /nfs/dbraw/zinc/02/72/37/164027237.db2.gz KMXJZRUAOOBCEG-MNOVXSKESA-N 1 1 306.366 1.849 20 5 DDBDMO Cc1nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296253427 409479106 /nfs/dbraw/zinc/47/91/06/409479106.db2.gz FVBQVIYBIXTDTR-PHIMTYICSA-N 1 1 309.370 1.604 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000408134003 164238032 /nfs/dbraw/zinc/23/80/32/164238032.db2.gz QLMRGRZZNWPFAP-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000408134003 164238034 /nfs/dbraw/zinc/23/80/34/164238034.db2.gz QLMRGRZZNWPFAP-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000408134003 164238036 /nfs/dbraw/zinc/23/80/36/164238036.db2.gz QLMRGRZZNWPFAP-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356780517 409600027 /nfs/dbraw/zinc/60/00/27/409600027.db2.gz RMFWDDQNRFNOHD-UHFFFAOYSA-N 1 1 309.366 1.960 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000356834954 409646180 /nfs/dbraw/zinc/64/61/80/409646180.db2.gz BYWYKLKPYZOIHW-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000356834954 409646186 /nfs/dbraw/zinc/64/61/86/409646186.db2.gz BYWYKLKPYZOIHW-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596393 409674374 /nfs/dbraw/zinc/67/43/74/409674374.db2.gz UCNSFDSJZCGBFG-UONOGXRCSA-N 1 1 312.370 1.043 20 5 DDBDMO C[N@@H+](CCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CCCCC1 ZINC000357180643 409924411 /nfs/dbraw/zinc/92/44/11/409924411.db2.gz GSVLGISCUAHOJO-UHFFFAOYSA-N 1 1 318.381 2.314 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000354623293 409975106 /nfs/dbraw/zinc/97/51/06/409975106.db2.gz MBAQRRFIYKJIDQ-JTQLQIEISA-N 1 1 311.363 1.110 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000354623293 409975113 /nfs/dbraw/zinc/97/51/13/409975113.db2.gz MBAQRRFIYKJIDQ-JTQLQIEISA-N 1 1 311.363 1.110 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC(=O)NC1CC1 ZINC000338354325 409935331 /nfs/dbraw/zinc/93/53/31/409935331.db2.gz KATQECZMFSUYRB-UHFFFAOYSA-N 1 1 320.349 1.057 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC(=O)NC1CC1 ZINC000338354325 409935336 /nfs/dbraw/zinc/93/53/36/409935336.db2.gz KATQECZMFSUYRB-UHFFFAOYSA-N 1 1 320.349 1.057 20 5 DDBDMO C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000343024202 410081774 /nfs/dbraw/zinc/08/17/74/410081774.db2.gz DDGHKDFASFCQEC-VIFPVBQESA-N 1 1 323.378 1.102 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701773 410196602 /nfs/dbraw/zinc/19/66/02/410196602.db2.gz XSIILHYNWIWGGS-GXSJLCMTSA-N 1 1 308.338 1.671 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339620086 410334992 /nfs/dbraw/zinc/33/49/92/410334992.db2.gz TZQQXFLKQKIVPJ-BETUJISGSA-N 1 1 320.393 1.866 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351963927 410375618 /nfs/dbraw/zinc/37/56/18/410375618.db2.gz IIOHUWIVMVKKQP-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355351922 410462734 /nfs/dbraw/zinc/46/27/34/410462734.db2.gz UYRLUIOKSDHMQK-GJZGRUSLSA-N 1 1 319.361 1.530 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343525036 410508342 /nfs/dbraw/zinc/50/83/42/410508342.db2.gz LSZZEVSEIMJNMJ-ZYHUDNBSSA-N 1 1 307.350 1.816 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000343612963 410571949 /nfs/dbraw/zinc/57/19/49/410571949.db2.gz QCVLGYBJAQXARA-CQSZACIVSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000301095792 410656024 /nfs/dbraw/zinc/65/60/24/410656024.db2.gz NKNCEVFAGDVEPZ-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000353010703 410733801 /nfs/dbraw/zinc/73/38/01/410733801.db2.gz WRVJOVSIUGQWEZ-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000353010703 410733813 /nfs/dbraw/zinc/73/38/13/410733813.db2.gz WRVJOVSIUGQWEZ-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000353205190 410851115 /nfs/dbraw/zinc/85/11/15/410851115.db2.gz OVFIVLSTNXZBLK-LLVKDONJSA-N 1 1 323.349 1.860 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366126626 418430685 /nfs/dbraw/zinc/43/06/85/418430685.db2.gz NURIXZWEIIGTIJ-YPMHNXCESA-N 1 1 304.350 1.689 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192604596 418524967 /nfs/dbraw/zinc/52/49/67/418524967.db2.gz JMSIIPJKZAJAIE-LBPRGKRZSA-N 1 1 311.386 1.013 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192626500 418525428 /nfs/dbraw/zinc/52/54/28/418525428.db2.gz UUWFMFUBUSCJAE-CYBMUJFWSA-N 1 1 323.397 1.278 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015955 418589491 /nfs/dbraw/zinc/58/94/91/418589491.db2.gz DHABDNAWXQEBJG-NHYWBVRUSA-N 1 1 318.377 1.220 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052763 418596342 /nfs/dbraw/zinc/59/63/42/418596342.db2.gz ZLZVUUFUZYGOEC-YGRLFVJLSA-N 1 1 304.350 1.224 20 5 DDBDMO COCC[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000291327647 222315867 /nfs/dbraw/zinc/31/58/67/222315867.db2.gz VIGCKJXSPMOLMP-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO COCC[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000291327647 222315868 /nfs/dbraw/zinc/31/58/68/222315868.db2.gz VIGCKJXSPMOLMP-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000367836210 418643389 /nfs/dbraw/zinc/64/33/89/418643389.db2.gz RTQOLCUZXMFHDJ-JIMOISOXSA-N 1 1 303.318 1.250 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[N@@H+]3CCOC[C@H]3C2)s1 ZINC000367799440 418637233 /nfs/dbraw/zinc/63/72/33/418637233.db2.gz BFXKEVPRTWMVAM-SECBINFHSA-N 1 1 321.362 1.120 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[N@H+]3CCOC[C@H]3C2)s1 ZINC000367799440 418637236 /nfs/dbraw/zinc/63/72/36/418637236.db2.gz BFXKEVPRTWMVAM-SECBINFHSA-N 1 1 321.362 1.120 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(NCCC[NH+]3CCOCC3)c21 ZINC000347398279 418638740 /nfs/dbraw/zinc/63/87/40/418638740.db2.gz IHKPXWGEZTYGIM-UHFFFAOYSA-N 1 1 317.349 1.672 20 5 DDBDMO C[C@H]1COCCN1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610813 418661633 /nfs/dbraw/zinc/66/16/33/418661633.db2.gz HDTQXXZUGZGHKB-UONOGXRCSA-N 1 1 323.397 1.149 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849878 418737977 /nfs/dbraw/zinc/73/79/77/418737977.db2.gz XKTKIJCYDLWFLX-OLZOCXBDSA-N 1 1 307.350 1.287 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372470061 418873844 /nfs/dbraw/zinc/87/38/44/418873844.db2.gz CZNCTTYBUZLTBH-MNOVXSKESA-N 1 1 305.334 1.657 20 5 DDBDMO COc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425057728 228357200 /nfs/dbraw/zinc/35/72/00/228357200.db2.gz BLXZZEPFJKCQNB-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000426254577 419420305 /nfs/dbraw/zinc/42/03/05/419420305.db2.gz DZLRASKILOYYJZ-OCCSQVGLSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+]1C ZINC000421009412 419446911 /nfs/dbraw/zinc/44/69/11/419446911.db2.gz QAXQJPDJGVWYRK-SWLSCSKDSA-N 1 1 320.393 1.948 20 5 DDBDMO COc1cc(CNCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000414928216 419879253 /nfs/dbraw/zinc/87/92/53/419879253.db2.gz LZHBZRSCPNZQQC-UHFFFAOYSA-N 1 1 305.281 1.296 20 5 DDBDMO COc1ccc(NC(=O)[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000423726847 420144487 /nfs/dbraw/zinc/14/44/87/420144487.db2.gz QBLGPUKTIDUCLU-SECBINFHSA-N 1 1 315.276 1.787 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381744 420251014 /nfs/dbraw/zinc/25/10/14/420251014.db2.gz ZJHWHSGTCDHDCS-HSMVNMDESA-N 1 1 320.393 1.900 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416287330 420306926 /nfs/dbraw/zinc/30/69/26/420306926.db2.gz BWMOFCMSGNHBCZ-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416287330 420306927 /nfs/dbraw/zinc/30/69/27/420306927.db2.gz BWMOFCMSGNHBCZ-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000420802937 420396307 /nfs/dbraw/zinc/39/63/07/420396307.db2.gz SMTSJETYNHFPAC-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000443415748 230009430 /nfs/dbraw/zinc/00/94/30/230009430.db2.gz GQWBXBYQPLANDO-UHFFFAOYSA-N 1 1 300.334 1.696 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439174040 420499730 /nfs/dbraw/zinc/49/97/30/420499730.db2.gz YEJPJNVEZHADIP-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO CC(C)(C(=O)NCC[N@H+]1CCCC1(C)C)n1cc([N+](=O)[O-])cn1 ZINC000457071755 420602890 /nfs/dbraw/zinc/60/28/90/420602890.db2.gz IHDMBFBQZURILT-UHFFFAOYSA-N 1 1 323.397 1.517 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440652386 420593838 /nfs/dbraw/zinc/59/38/38/420593838.db2.gz MSSGTUOTSRAESZ-UHFFFAOYSA-N 1 1 324.429 1.558 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452068431 420620365 /nfs/dbraw/zinc/62/03/65/420620365.db2.gz NYJKOKVLTPWQKH-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)[C@H]3CCCO3)nc2c1 ZINC000447902565 420813280 /nfs/dbraw/zinc/81/32/80/420813280.db2.gz FKGKRJNAFDZGLW-VXGBXAGGSA-N 1 1 307.306 1.366 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448946431 420919960 /nfs/dbraw/zinc/91/99/60/420919960.db2.gz NQGFJHSGKAWBDT-SECBINFHSA-N 1 1 311.313 1.519 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000448946431 420919962 /nfs/dbraw/zinc/91/99/62/420919962.db2.gz NQGFJHSGKAWBDT-SECBINFHSA-N 1 1 311.313 1.519 20 5 DDBDMO Cc1c(CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000454849591 420933214 /nfs/dbraw/zinc/93/32/14/420933214.db2.gz FPHZWXRTWUEYDD-HIFRSBDPSA-N 1 1 318.377 1.749 20 5 DDBDMO CNc1nc(C(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000456071494 421095885 /nfs/dbraw/zinc/09/58/85/421095885.db2.gz RZYVEFVZDJANDL-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000455810273 421065007 /nfs/dbraw/zinc/06/50/07/421065007.db2.gz KREITOCPLSASEX-MNOVXSKESA-N 1 1 319.365 1.340 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449746132 421073140 /nfs/dbraw/zinc/07/31/40/421073140.db2.gz QGTDGNSTARXLME-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000449746132 421073143 /nfs/dbraw/zinc/07/31/43/421073143.db2.gz QGTDGNSTARXLME-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455906631 421075408 /nfs/dbraw/zinc/07/54/08/421075408.db2.gz GLAYHKVWDQNKHC-PWSUYJOCSA-N 1 1 321.381 1.490 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000523685365 421246343 /nfs/dbraw/zinc/24/63/43/421246343.db2.gz UGSGVNSUUSFOLY-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO CC(C)Oc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565850 422350744 /nfs/dbraw/zinc/35/07/44/422350744.db2.gz ISIVTQRRTQGGBC-DGCLKSJQSA-N 1 1 324.381 1.908 20 5 DDBDMO CC(C)Oc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565850 422350747 /nfs/dbraw/zinc/35/07/47/422350747.db2.gz ISIVTQRRTQGGBC-DGCLKSJQSA-N 1 1 324.381 1.908 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000598465465 422395880 /nfs/dbraw/zinc/39/58/80/422395880.db2.gz NNMGZXBCBSZONS-UHFFFAOYSA-N 1 1 323.397 1.882 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000342287102 271366719 /nfs/dbraw/zinc/36/67/19/271366719.db2.gz WWVNKYRRXKULEH-NSHDSACASA-N 1 1 300.318 1.701 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344910192 272139155 /nfs/dbraw/zinc/13/91/55/272139155.db2.gz KDPIFTVKMYOAHF-LLVKDONJSA-N 1 1 322.365 1.018 20 5 DDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332215414 274305304 /nfs/dbraw/zinc/30/53/04/274305304.db2.gz WPRQSTJYAHDYLW-OQPBUACISA-N 1 1 303.322 1.085 20 5 DDBDMO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302389625 274364881 /nfs/dbraw/zinc/36/48/81/274364881.db2.gz IAQXHKNQJDIXJH-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[N@H+](CCO)CC1 ZINC000450313217 275039614 /nfs/dbraw/zinc/03/96/14/275039614.db2.gz KNRLWLCGETYOEX-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000157108711 277052071 /nfs/dbraw/zinc/05/20/71/277052071.db2.gz NGZWNDRFCXUQLV-UHFFFAOYSA-N 1 1 317.342 1.060 20 5 DDBDMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000157108711 277052073 /nfs/dbraw/zinc/05/20/73/277052073.db2.gz NGZWNDRFCXUQLV-UHFFFAOYSA-N 1 1 317.342 1.060 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000089898169 281027198 /nfs/dbraw/zinc/02/71/98/281027198.db2.gz PIIJHOKKEGLXMA-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CCCC1 ZINC000089898169 281027200 /nfs/dbraw/zinc/02/72/00/281027200.db2.gz PIIJHOKKEGLXMA-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000324328975 298262972 /nfs/dbraw/zinc/26/29/72/298262972.db2.gz ZUPOSDWQEPGQOV-LBPRGKRZSA-N 1 1 320.349 1.006 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000354022928 298342277 /nfs/dbraw/zinc/34/22/77/298342277.db2.gz VBPRSKXRRZPYJB-UHFFFAOYSA-N 1 1 317.349 1.462 20 5 DDBDMO CC[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000362831308 300153859 /nfs/dbraw/zinc/15/38/59/300153859.db2.gz PGRFXDYQZSIJMX-UHFFFAOYSA-N 1 1 303.322 1.787 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364020015 300335518 /nfs/dbraw/zinc/33/55/18/300335518.db2.gz XKXIWJXPHMZODY-NWDGAFQWSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368804893 301090270 /nfs/dbraw/zinc/09/02/70/301090270.db2.gz JTJXZFHMJMFIFD-OLZOCXBDSA-N 1 1 309.391 1.494 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007170 301118291 /nfs/dbraw/zinc/11/82/91/301118291.db2.gz GRHCOKNDLRSWQB-DGCLKSJQSA-N 1 1 320.349 1.524 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000369800029 301226509 /nfs/dbraw/zinc/22/65/09/301226509.db2.gz QULYFLJBAYXYFX-HUUCEWRRSA-N 1 1 324.381 1.451 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000369800029 301226512 /nfs/dbraw/zinc/22/65/12/301226512.db2.gz QULYFLJBAYXYFX-HUUCEWRRSA-N 1 1 324.381 1.451 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377604872 302196916 /nfs/dbraw/zinc/19/69/16/302196916.db2.gz JTLIBOBPEWBVQI-WDEREUQCSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377604872 302196919 /nfs/dbraw/zinc/19/69/19/302196919.db2.gz JTLIBOBPEWBVQI-WDEREUQCSA-N 1 1 320.349 1.119 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000377647964 302203041 /nfs/dbraw/zinc/20/30/41/302203041.db2.gz WDRJPONZGXIKBW-AWEZNQCLSA-N 1 1 307.350 1.320 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000532988800 303303735 /nfs/dbraw/zinc/30/37/35/303303735.db2.gz HAZOSWWXWGVMSN-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363496452 307029674 /nfs/dbraw/zinc/02/96/74/307029674.db2.gz PZCDQEPXOXMIQY-NSHDSACASA-N 1 1 302.338 1.498 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000363496452 307029675 /nfs/dbraw/zinc/02/96/75/307029675.db2.gz PZCDQEPXOXMIQY-NSHDSACASA-N 1 1 302.338 1.498 20 5 DDBDMO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000364008619 307039732 /nfs/dbraw/zinc/03/97/32/307039732.db2.gz IBIXMTBRFYSZSB-LLVKDONJSA-N 1 1 311.411 1.264 20 5 DDBDMO Cn1nccc1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367251988 307089828 /nfs/dbraw/zinc/08/98/28/307089828.db2.gz KGQMPTCMFRULJQ-CYBMUJFWSA-N 1 1 304.354 1.404 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000367413796 307092646 /nfs/dbraw/zinc/09/26/46/307092646.db2.gz WHPMIYMUABUIBG-JKSUJKDBSA-N 1 1 321.377 1.035 20 5 DDBDMO CC[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000367442730 307093630 /nfs/dbraw/zinc/09/36/30/307093630.db2.gz KGZHLONKWASHDB-UHFFFAOYSA-N 1 1 317.349 1.776 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000378496202 307289840 /nfs/dbraw/zinc/28/98/40/307289840.db2.gz MSWJLAFXDJTAKL-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571870728 308205078 /nfs/dbraw/zinc/20/50/78/308205078.db2.gz QATPCYWYRRBUBY-JTQLQIEISA-N 1 1 304.350 1.590 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154398385 527313745 /nfs/dbraw/zinc/31/37/45/527313745.db2.gz DWVCBCMWPDXPEA-SWLSCSKDSA-N 1 1 318.377 1.855 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000157918744 527414216 /nfs/dbraw/zinc/41/42/16/527414216.db2.gz WUFWFEURDZEYAX-CQSZACIVSA-N 1 1 301.350 1.978 20 5 DDBDMO CCOc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419007322 528313264 /nfs/dbraw/zinc/31/32/64/528313264.db2.gz RKITYCALSFULKG-OLZOCXBDSA-N 1 1 323.393 1.885 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CO ZINC000292859286 528401115 /nfs/dbraw/zinc/40/11/15/528401115.db2.gz ACLJBZCRDILFNY-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO CCOCC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657234 528863736 /nfs/dbraw/zinc/86/37/36/528863736.db2.gz KBVXXSFWOBKWDQ-TZMCWYRMSA-N 1 1 324.381 1.264 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820715715 599084451 /nfs/dbraw/zinc/08/44/51/599084451.db2.gz DNGHYCJVMXTLAG-SNVBAGLBSA-N 1 1 317.353 1.671 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000066080631 696349564 /nfs/dbraw/zinc/34/95/64/696349564.db2.gz UZSLIOHCCPPFSB-GFCCVEGCSA-N 1 1 309.370 1.343 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000066080631 696349567 /nfs/dbraw/zinc/34/95/67/696349567.db2.gz UZSLIOHCCPPFSB-GFCCVEGCSA-N 1 1 309.370 1.343 20 5 DDBDMO CC1(C)C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066528461 696353304 /nfs/dbraw/zinc/35/33/04/696353304.db2.gz AUOXVVVXZYRRER-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO CC1(C)C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066528461 696353305 /nfs/dbraw/zinc/35/33/05/696353305.db2.gz AUOXVVVXZYRRER-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108327195 696633467 /nfs/dbraw/zinc/63/34/67/696633467.db2.gz FVNOKZRDCBOYIB-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO CCC(CC)(C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124068646 696738623 /nfs/dbraw/zinc/73/86/23/696738623.db2.gz UHBZTNXTIVIUBP-UHFFFAOYSA-N 1 1 319.358 1.530 20 5 DDBDMO CC(=O)N1C[C@]2(C)C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@]2(C)C1 ZINC000982177094 697049520 /nfs/dbraw/zinc/04/95/20/697049520.db2.gz DBUJYPIHYFWUQD-GASCZTMLSA-N 1 1 321.381 1.019 20 5 DDBDMO CC(=O)N1C[C@]2(C)C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@]2(C)C1 ZINC000982177094 697049523 /nfs/dbraw/zinc/04/95/23/697049523.db2.gz DBUJYPIHYFWUQD-GASCZTMLSA-N 1 1 321.381 1.019 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000776587133 698122517 /nfs/dbraw/zinc/12/25/17/698122517.db2.gz ULYPECVAELXWFB-KFWWJZLASA-N 1 1 324.402 1.835 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000750055116 700201583 /nfs/dbraw/zinc/20/15/83/700201583.db2.gz ZBWKEYCIZCSWMO-GJZGRUSLSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000750055116 700201586 /nfs/dbraw/zinc/20/15/86/700201586.db2.gz ZBWKEYCIZCSWMO-GJZGRUSLSA-N 1 1 322.361 1.856 20 5 DDBDMO CO[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@H]1C ZINC000783969074 698896392 /nfs/dbraw/zinc/89/63/92/698896392.db2.gz RYPGQAHNVPSBMJ-QMTHXVAHSA-N 1 1 319.365 1.962 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@H]1C ZINC000783969074 698896397 /nfs/dbraw/zinc/89/63/97/698896397.db2.gz RYPGQAHNVPSBMJ-QMTHXVAHSA-N 1 1 319.365 1.962 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786574200 699155354 /nfs/dbraw/zinc/15/53/54/699155354.db2.gz LOQKEAGAEWTPPH-CYBMUJFWSA-N 1 1 308.382 1.946 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000729469404 699479540 /nfs/dbraw/zinc/47/95/40/699479540.db2.gz GINYIKKKAWDNCV-VXGBXAGGSA-N 1 1 319.365 1.764 20 5 DDBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801552131 700319712 /nfs/dbraw/zinc/31/97/12/700319712.db2.gz ZJUTUNPUVVKBJF-LBPRGKRZSA-N 1 1 300.330 1.952 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801552131 700319715 /nfs/dbraw/zinc/31/97/15/700319715.db2.gz ZJUTUNPUVVKBJF-LBPRGKRZSA-N 1 1 300.330 1.952 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000761076616 700840120 /nfs/dbraw/zinc/84/01/20/700840120.db2.gz HXNGGVZQCFUJEI-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761076616 700840122 /nfs/dbraw/zinc/84/01/22/700840122.db2.gz HXNGGVZQCFUJEI-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000761076616 700840124 /nfs/dbraw/zinc/84/01/24/700840124.db2.gz HXNGGVZQCFUJEI-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cnn(C)n1 ZINC000806167202 701428483 /nfs/dbraw/zinc/42/84/83/701428483.db2.gz OHEVXYFZAVVCRO-JTQLQIEISA-N 1 1 318.337 1.230 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636466 701761880 /nfs/dbraw/zinc/76/18/80/701761880.db2.gz SPONLTJVRYZFJT-GXTWGEPZSA-N 1 1 307.350 1.038 20 5 DDBDMO COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668351 701773627 /nfs/dbraw/zinc/77/36/27/701773627.db2.gz ZRGXFQMRYHLJCZ-GDBMZVCRSA-N 1 1 322.361 1.903 20 5 DDBDMO CSc1ccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839780911 701824316 /nfs/dbraw/zinc/82/43/16/701824316.db2.gz YOHPHKROOHPNDY-MCIONIFRSA-N 1 1 323.418 1.793 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840474764 702124307 /nfs/dbraw/zinc/12/43/07/702124307.db2.gz MOYOBGRHAWYDPT-GHMZBOCLSA-N 1 1 323.315 1.527 20 5 DDBDMO CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])cnc21)[C@@H]1CCOC1 ZINC000812297267 702141069 /nfs/dbraw/zinc/14/10/69/702141069.db2.gz WQXTXTHDIPRSAG-LLVKDONJSA-N 1 1 305.338 1.716 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000816952049 702235033 /nfs/dbraw/zinc/23/50/33/702235033.db2.gz BEMWUXMHGRUYJB-SDBXPKJASA-N 1 1 308.313 1.092 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533662 706710819 /nfs/dbraw/zinc/71/08/19/706710819.db2.gz IOJLESWFFJSPPJ-JLLWLGSASA-N 1 1 303.318 1.202 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879576441 706724635 /nfs/dbraw/zinc/72/46/35/706724635.db2.gz SCGJMWIDCQPDKF-TZMCWYRMSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766666 703586156 /nfs/dbraw/zinc/58/61/56/703586156.db2.gz UBGWMTJYEGXZIM-NWDGAFQWSA-N 1 1 311.769 1.812 20 5 DDBDMO COC(=O)N1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000850446280 703731665 /nfs/dbraw/zinc/73/16/65/703731665.db2.gz RGBMBQRYFASPMT-VIFPVBQESA-N 1 1 309.322 1.705 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852298426 704001225 /nfs/dbraw/zinc/00/12/25/704001225.db2.gz ZTBKXOMUWWTWNK-HNNXBMFYSA-N 1 1 317.345 1.498 20 5 DDBDMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905310 704184322 /nfs/dbraw/zinc/18/43/22/704184322.db2.gz MHMQTELCDFGNDM-UHFFFAOYSA-N 1 1 301.306 1.890 20 5 DDBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000853579788 704274773 /nfs/dbraw/zinc/27/47/73/704274773.db2.gz ZVPNYMCJAFZBGF-RYUDHWBXSA-N 1 1 316.317 1.711 20 5 DDBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000853579788 704274775 /nfs/dbraw/zinc/27/47/75/704274775.db2.gz ZVPNYMCJAFZBGF-RYUDHWBXSA-N 1 1 316.317 1.711 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000823100737 705139640 /nfs/dbraw/zinc/13/96/40/705139640.db2.gz IHNCATLRNQNNMQ-JSGCOSHPSA-N 1 1 303.362 1.988 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861718168 705549613 /nfs/dbraw/zinc/54/96/13/705549613.db2.gz WMWSWAOTWQTABW-NWDGAFQWSA-N 1 1 323.324 1.015 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000827000805 705910490 /nfs/dbraw/zinc/91/04/90/705910490.db2.gz OXOIFLVBRBOJBG-CQSZACIVSA-N 1 1 305.334 1.930 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000877578329 706147663 /nfs/dbraw/zinc/14/76/63/706147663.db2.gz BCMXQGHJJDMNPM-HNNXBMFYSA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000877578329 706147666 /nfs/dbraw/zinc/14/76/66/706147666.db2.gz BCMXQGHJJDMNPM-HNNXBMFYSA-N 1 1 324.381 1.882 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878553787 706425886 /nfs/dbraw/zinc/42/58/86/706425886.db2.gz RUNVCLBSDZQOJO-CYBMUJFWSA-N 1 1 301.350 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](O)C(F)(F)F)c2c1 ZINC000865474553 706440753 /nfs/dbraw/zinc/44/07/53/706440753.db2.gz JXGIJEBOOQDAFG-NSHDSACASA-N 1 1 301.224 1.900 20 5 DDBDMO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000865705725 706500916 /nfs/dbraw/zinc/50/09/16/706500916.db2.gz YNFGCBUMJWUILA-OAHLLOKOSA-N 1 1 304.350 1.634 20 5 DDBDMO O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880070959 706870488 /nfs/dbraw/zinc/87/04/88/706870488.db2.gz PCQZZXUEPJCSCS-LSDHHAIUSA-N 1 1 321.377 1.115 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000832359080 706897044 /nfs/dbraw/zinc/89/70/44/706897044.db2.gz BTCDHDOMXOUJHS-RISCZKNCSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000832359080 706897046 /nfs/dbraw/zinc/89/70/46/706897046.db2.gz BTCDHDOMXOUJHS-RISCZKNCSA-N 1 1 307.350 1.181 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000882021657 707469514 /nfs/dbraw/zinc/46/95/14/707469514.db2.gz FKIJGZALXFFXHH-LLVKDONJSA-N 1 1 310.329 1.287 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)c2)c1 ZINC000872785478 707601293 /nfs/dbraw/zinc/60/12/93/707601293.db2.gz CWOYCBOQCUYZOP-GASCZTMLSA-N 1 1 314.345 1.994 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000837546723 707678076 /nfs/dbraw/zinc/67/80/76/707678076.db2.gz MKKLHSKAAZFPTQ-UHFFFAOYSA-N 1 1 317.349 1.153 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000838144214 707853602 /nfs/dbraw/zinc/85/36/02/707853602.db2.gz LGJXOXWFPNVIKJ-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000896650209 708108280 /nfs/dbraw/zinc/10/82/80/708108280.db2.gz CXLCCTQLXNOYHE-ZDUSSCGKSA-N 1 1 320.393 1.860 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219633 708257226 /nfs/dbraw/zinc/25/72/26/708257226.db2.gz MEXGMYHIKGALJH-STQMWFEESA-N 1 1 322.365 1.034 20 5 DDBDMO Cc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220418 708258581 /nfs/dbraw/zinc/25/85/81/708258581.db2.gz AYBTWJRBMLILOM-STQMWFEESA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222105 708260066 /nfs/dbraw/zinc/26/00/66/708260066.db2.gz RPKBHMHOVNLVHC-JKSUJKDBSA-N 1 1 305.378 1.939 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897222718 708260431 /nfs/dbraw/zinc/26/04/31/708260431.db2.gz XANUFHXQVMLLHZ-QWHCGFSZSA-N 1 1 309.341 1.769 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3C[C@]34CCOC4)C2)nc1 ZINC000886067096 708691516 /nfs/dbraw/zinc/69/15/16/708691516.db2.gz HFLYJRLAWYNQBR-IOASZLSFSA-N 1 1 318.377 1.903 20 5 DDBDMO CN(CCCN1CC[NH+](C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886091627 708696670 /nfs/dbraw/zinc/69/66/70/708696670.db2.gz FEQWTROOAGTZOE-UHFFFAOYSA-N 1 1 307.398 1.059 20 5 DDBDMO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000886160426 708708043 /nfs/dbraw/zinc/70/80/43/708708043.db2.gz SVLJNRVOFCZLAZ-GFCCVEGCSA-N 1 1 308.382 1.267 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886265729 708732481 /nfs/dbraw/zinc/73/24/81/708732481.db2.gz PYERCQJQTKIUPW-BETUJISGSA-N 1 1 308.382 1.531 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886823105 708854316 /nfs/dbraw/zinc/85/43/16/708854316.db2.gz ZAIWXAMQLVNYLE-JSGCOSHPSA-N 1 1 307.350 1.257 20 5 DDBDMO O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]12CC[N@@H+](C1)CCC2 ZINC000900099279 709288553 /nfs/dbraw/zinc/28/85/53/709288553.db2.gz OQCWYZXBUQQPBC-INIZCTEOSA-N 1 1 301.346 1.970 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811833 713098559 /nfs/dbraw/zinc/09/85/59/713098559.db2.gz ORXQGARZATYAPZ-CMPLNLGQSA-N 1 1 323.397 1.819 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910273648 709857350 /nfs/dbraw/zinc/85/73/50/709857350.db2.gz KBFMWMNHJHPGRK-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000892678984 710480477 /nfs/dbraw/zinc/48/04/77/710480477.db2.gz AQCNVRMTYARDIT-GFCCVEGCSA-N 1 1 322.365 1.157 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000928445235 713199260 /nfs/dbraw/zinc/19/92/60/713199260.db2.gz PQLCXAPPUCZAIA-BXUZGUMPSA-N 1 1 316.361 1.758 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000928574399 713234630 /nfs/dbraw/zinc/23/46/30/713234630.db2.gz VDYNTXUSBPYCPZ-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000928574399 713234631 /nfs/dbraw/zinc/23/46/31/713234631.db2.gz VDYNTXUSBPYCPZ-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686699 711238505 /nfs/dbraw/zinc/23/85/05/711238505.db2.gz ARUBDDFGDXGKMP-NEPJUHHUSA-N 1 1 310.350 1.902 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1CO ZINC000894884924 711307853 /nfs/dbraw/zinc/30/78/53/711307853.db2.gz LYMBOQPYBFKPHG-JTQLQIEISA-N 1 1 308.363 1.317 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1CO ZINC000894884924 711307857 /nfs/dbraw/zinc/30/78/57/711307857.db2.gz LYMBOQPYBFKPHG-JTQLQIEISA-N 1 1 308.363 1.317 20 5 DDBDMO COc1cc(N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000894995786 711356593 /nfs/dbraw/zinc/35/65/93/711356593.db2.gz GCOLXIWLUNDUML-VIFPVBQESA-N 1 1 304.306 1.845 20 5 DDBDMO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247163 711464874 /nfs/dbraw/zinc/46/48/74/711464874.db2.gz FEOHBFKRLSFPLT-ZJUUUORDSA-N 1 1 324.410 1.350 20 5 DDBDMO CCC[N@H+]1CC[C@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895438343 711512649 /nfs/dbraw/zinc/51/26/49/711512649.db2.gz PFGYUVDKWMOPPQ-LBPRGKRZSA-N 1 1 309.366 1.883 20 5 DDBDMO CCCN1CC[C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895438343 711512650 /nfs/dbraw/zinc/51/26/50/711512650.db2.gz PFGYUVDKWMOPPQ-LBPRGKRZSA-N 1 1 309.366 1.883 20 5 DDBDMO Nc1ccc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)nc1[N+](=O)[O-] ZINC000895567626 711544692 /nfs/dbraw/zinc/54/46/92/711544692.db2.gz GFEKGOCBMAVIJC-GHMZBOCLSA-N 1 1 309.395 1.564 20 5 DDBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1C ZINC000895735151 711590140 /nfs/dbraw/zinc/59/01/40/711590140.db2.gz VFKUYKZQOAFIRI-QMTHXVAHSA-N 1 1 318.377 1.992 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895734801 711590249 /nfs/dbraw/zinc/59/02/49/711590249.db2.gz AUPOKUSTSAFVKI-KOLCDFICSA-N 1 1 308.338 1.589 20 5 DDBDMO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1=O ZINC000905274224 711988959 /nfs/dbraw/zinc/98/89/59/711988959.db2.gz NXQNLRKYQFBAJN-RISCZKNCSA-N 1 1 309.341 1.744 20 5 DDBDMO O=C(NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963789777 717907361 /nfs/dbraw/zinc/90/73/61/717907361.db2.gz ASGXHUYHJKZLAE-KDUKZITGSA-N 1 1 321.421 1.859 20 5 DDBDMO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000930093818 713754776 /nfs/dbraw/zinc/75/47/76/713754776.db2.gz FSKIAVWRHXKTMN-RYUDHWBXSA-N 1 1 301.387 1.888 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931191018 714029928 /nfs/dbraw/zinc/02/99/28/714029928.db2.gz PAHVCLWLEFBRES-UHFFFAOYSA-N 1 1 318.333 1.601 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931191018 714029930 /nfs/dbraw/zinc/02/99/30/714029930.db2.gz PAHVCLWLEFBRES-UHFFFAOYSA-N 1 1 318.333 1.601 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069675 714251593 /nfs/dbraw/zinc/25/15/93/714251593.db2.gz FLGPCAXAEUGFFU-AEGPPILISA-N 1 1 303.362 1.909 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000923263029 714288616 /nfs/dbraw/zinc/28/86/16/714288616.db2.gz GGCYRSHYPLOLQO-UONOGXRCSA-N 1 1 321.352 1.972 20 5 DDBDMO CC1(C)C[NH2+]CC[C@@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923368375 714330012 /nfs/dbraw/zinc/33/00/12/714330012.db2.gz BHEBWAGJXUODRC-ZFWWWQNUSA-N 1 1 323.393 1.312 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932757591 714406739 /nfs/dbraw/zinc/40/67/39/714406739.db2.gz WWLQRKQZPKEUGI-ZDUSSCGKSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000923910113 714488191 /nfs/dbraw/zinc/48/81/91/714488191.db2.gz JLDIKBRDZCQZHY-AAEUAGOBSA-N 1 1 306.366 1.795 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933741794 714660284 /nfs/dbraw/zinc/66/02/84/714660284.db2.gz HYNAUHPOBDGTCC-CJNGLKHVSA-N 1 1 305.378 1.857 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832077 714912739 /nfs/dbraw/zinc/91/27/39/714912739.db2.gz NIFDRDMJQCTBSO-STQMWFEESA-N 1 1 308.382 1.967 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001164664734 719389888 /nfs/dbraw/zinc/38/98/88/719389888.db2.gz COEQLDSSFIOBFM-KGLIPLIRSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@H]21 ZINC001164664736 719390051 /nfs/dbraw/zinc/39/00/51/719390051.db2.gz COEQLDSSFIOBFM-ZIAGYGMSSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666135 719391085 /nfs/dbraw/zinc/39/10/85/719391085.db2.gz JJVUPWXEAOJVJT-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001120959087 782257440 /nfs/dbraw/zinc/25/74/40/782257440.db2.gz FLZNAZYKKRXQIA-WCQYABFASA-N 1 1 308.382 1.650 20 5 DDBDMO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022063685 734368264 /nfs/dbraw/zinc/36/82/64/734368264.db2.gz GVZGLOHUHLOBMP-QKPAOTATSA-N 1 1 317.389 1.440 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775895 736853283 /nfs/dbraw/zinc/85/32/83/736853283.db2.gz PEWWXRGRSYTPRK-LJIZCISZSA-N 1 1 319.405 1.589 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775895 736853285 /nfs/dbraw/zinc/85/32/85/736853285.db2.gz PEWWXRGRSYTPRK-LJIZCISZSA-N 1 1 319.405 1.589 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775895 736853287 /nfs/dbraw/zinc/85/32/87/736853287.db2.gz PEWWXRGRSYTPRK-LJIZCISZSA-N 1 1 319.405 1.589 20 5 DDBDMO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030386 762186621 /nfs/dbraw/zinc/18/66/21/762186621.db2.gz ZDLKVPIZLJANCO-ZIAGYGMSSA-N 1 1 315.414 1.249 20 5 DDBDMO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030386 762186626 /nfs/dbraw/zinc/18/66/26/762186626.db2.gz ZDLKVPIZLJANCO-ZIAGYGMSSA-N 1 1 315.414 1.249 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)C1 ZINC001169018398 762199176 /nfs/dbraw/zinc/19/91/76/762199176.db2.gz BDAIJUPTLOVRLH-APIJFGDWSA-N 1 1 317.393 1.290 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082462 760941930 /nfs/dbraw/zinc/94/19/30/760941930.db2.gz PGMUUQOWGHFJKP-CQROYNQRSA-N 1 1 321.352 1.475 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100127243 763148236 /nfs/dbraw/zinc/14/82/36/763148236.db2.gz CDPYZLGGIKQZIS-UHFFFAOYSA-N 1 1 317.349 1.352 20 5 DDBDMO CC(C)[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291251 764719021 /nfs/dbraw/zinc/71/90/21/764719021.db2.gz MLWGIYAOKKPXAJ-HZPDHXFCSA-N 1 1 317.389 1.735 20 5 DDBDMO CC(C)[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051291251 764719029 /nfs/dbraw/zinc/71/90/29/764719029.db2.gz MLWGIYAOKKPXAJ-HZPDHXFCSA-N 1 1 317.389 1.735 20 5 DDBDMO CC(C)[N@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051291251 764719033 /nfs/dbraw/zinc/71/90/33/764719033.db2.gz MLWGIYAOKKPXAJ-HZPDHXFCSA-N 1 1 317.389 1.735 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001170343611 766274826 /nfs/dbraw/zinc/27/48/26/766274826.db2.gz VDYMDDBUVCOBLY-UHFFFAOYSA-N 1 1 313.317 1.844 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C)CCCC1 ZINC001132003946 768555694 /nfs/dbraw/zinc/55/56/94/768555694.db2.gz HKHQSWUHGUTVIO-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO C[NH+](C)CCCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001133040170 769424786 /nfs/dbraw/zinc/42/47/86/769424786.db2.gz DODQSJPDQLXXSD-UHFFFAOYSA-N 1 1 314.411 1.204 20 5 DDBDMO C[NH+]1CCC(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001133286018 769665659 /nfs/dbraw/zinc/66/56/59/769665659.db2.gz SOJYLKNLSQEDNE-UHFFFAOYSA-N 1 1 320.393 1.142 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136452930 771971931 /nfs/dbraw/zinc/97/19/31/771971931.db2.gz OAZRPFVUHBUKLF-LLVKDONJSA-N 1 1 321.381 1.422 20 5 DDBDMO C[N@@H+](CC(=O)NCCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001094853849 776507363 /nfs/dbraw/zinc/50/73/63/776507363.db2.gz ZJSJWORONOVLBB-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231938 777063814 /nfs/dbraw/zinc/06/38/14/777063814.db2.gz PAVWENMSIMTQIQ-WFASDCNBSA-N 1 1 322.361 1.790 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001173235333 777065142 /nfs/dbraw/zinc/06/51/42/777065142.db2.gz WEURANYEBVCLFG-SWLSCSKDSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001173235333 777065144 /nfs/dbraw/zinc/06/51/44/777065144.db2.gz WEURANYEBVCLFG-SWLSCSKDSA-N 1 1 303.362 1.832 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cnon1)Cc1cccc([N+](=O)[O-])c1 ZINC001266425527 836235506 /nfs/dbraw/zinc/23/55/06/836235506.db2.gz RSALXKZSJJBYGB-UHFFFAOYSA-N 1 1 319.321 1.230 20 5 DDBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001268523190 840380548 /nfs/dbraw/zinc/38/05/48/840380548.db2.gz PTUGCWPMPFSFQY-UPHRSURJSA-N 1 1 322.346 1.720 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273508315 851042384 /nfs/dbraw/zinc/04/23/84/851042384.db2.gz ZOCXPWPZYRTVQU-UKRRQHHQSA-N 1 1 323.368 1.771 20 5 DDBDMO CN(CCC[N@H+](C)Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273508315 851042393 /nfs/dbraw/zinc/04/23/93/851042393.db2.gz ZOCXPWPZYRTVQU-UKRRQHHQSA-N 1 1 323.368 1.771 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273508315 851042402 /nfs/dbraw/zinc/04/24/02/851042402.db2.gz ZOCXPWPZYRTVQU-UKRRQHHQSA-N 1 1 323.368 1.771 20 5 DDBDMO COc1nc(NCC2(N(C)C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001156176058 862776674 /nfs/dbraw/zinc/77/66/74/862776674.db2.gz JDCRNDMPQIGGFA-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001203061435 860685992 /nfs/dbraw/zinc/68/59/92/860685992.db2.gz OAVJTOQLHCUIBC-LLVKDONJSA-N 1 1 307.354 1.183 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001332403322 865817125 /nfs/dbraw/zinc/81/71/25/865817125.db2.gz PVVNHMYDBNDLAQ-QMTHXVAHSA-N 1 1 304.350 1.713 20 5 DDBDMO COc1nc(-n2cc(CC[NH3+])c3cnccc32)ccc1[N+](=O)[O-] ZINC001160945501 866203956 /nfs/dbraw/zinc/20/39/56/866203956.db2.gz BXWLQACSUXAEMS-UHFFFAOYSA-N 1 1 313.317 1.839 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C2CCC1(CO)CC2 ZINC001333318372 866631217 /nfs/dbraw/zinc/63/12/17/866631217.db2.gz ALXXUVNKBLVVBY-UHFFFAOYSA-N 1 1 319.361 1.831 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C2CCC1(CO)CC2 ZINC001333318372 866631223 /nfs/dbraw/zinc/63/12/23/866631223.db2.gz ALXXUVNKBLVVBY-UHFFFAOYSA-N 1 1 319.361 1.831 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333874572 867101406 /nfs/dbraw/zinc/10/14/06/867101406.db2.gz BCYJXLWQOYJSRJ-LBPRGKRZSA-N 1 1 318.377 1.962 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C(C)C)[C@H](C)C2)n1 ZINC001165201865 869424865 /nfs/dbraw/zinc/42/48/65/869424865.db2.gz QZWFQTZACODGBH-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)[C@@H]3CCOC3)C2)n1 ZINC001165205841 869431591 /nfs/dbraw/zinc/43/15/91/869431591.db2.gz UJFJTIOBIQDIGN-GFCCVEGCSA-N 1 1 306.366 1.516 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001337533174 869528056 /nfs/dbraw/zinc/52/80/56/869528056.db2.gz AWCYICGDJKFHPU-LBPRGKRZSA-N 1 1 309.341 1.877 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468484 870511331 /nfs/dbraw/zinc/51/13/31/870511331.db2.gz VPCCTRLFFYPMPB-OLZOCXBDSA-N 1 1 324.429 1.804 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC001339997593 870829190 /nfs/dbraw/zinc/82/91/90/870829190.db2.gz DRMXPZKIRXRUST-LPEHRKFASA-N 1 1 303.322 1.883 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425864 871067678 /nfs/dbraw/zinc/06/76/78/871067678.db2.gz SWOPVFVRPZXEAB-HNNXBMFYSA-N 1 1 318.333 1.124 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001347539443 874179611 /nfs/dbraw/zinc/17/96/11/874179611.db2.gz KYJTWLVQHSFMKV-ZWKOPEQDSA-N 1 1 307.325 1.804 20 5 DDBDMO COc1cc2nc(=O)[nH]c(O[C@@H](C)C[N+](C)(C)C)c2cc1OC ZINC001227283386 882953683 /nfs/dbraw/zinc/95/36/83/882953683.db2.gz VHCFLZWRGOKRFY-JTQLQIEISA-O 1 1 322.385 1.826 20 5 DDBDMO C[N@H+]1CCC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242707 883404133 /nfs/dbraw/zinc/40/41/33/883404133.db2.gz RDCYPXLCQHTGFP-SNVBAGLBSA-N 1 1 304.306 1.717 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233754484 887280487 /nfs/dbraw/zinc/28/04/87/887280487.db2.gz VDSCBRWLCWWTOF-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO C[N@@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@H]1CCSC1 ZINC001253838971 896134919 /nfs/dbraw/zinc/13/49/19/896134919.db2.gz RIVOTMJYKWWPTQ-CQSZACIVSA-N 1 1 321.402 1.874 20 5 DDBDMO C[C@H](CN1CC[NH+](C)CC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278590840 214259870 /nfs/dbraw/zinc/25/98/70/214259870.db2.gz YWZGFEMHFIVVOZ-LLVKDONJSA-N 1 1 318.381 1.519 20 5 DDBDMO C[C@@]12C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378524 231082056 /nfs/dbraw/zinc/08/20/56/231082056.db2.gz YCSRAVJDXLUOAI-IPQWEPCOSA-N 1 1 318.377 1.296 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000451306467 231063134 /nfs/dbraw/zinc/06/31/34/231063134.db2.gz YHKCGJXGGUVPCI-OIISXLGYSA-N 1 1 320.389 1.999 20 5 DDBDMO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250334 529444607 /nfs/dbraw/zinc/44/46/07/529444607.db2.gz IXQRRSOSLGFNBW-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250334 529444610 /nfs/dbraw/zinc/44/46/10/529444610.db2.gz IXQRRSOSLGFNBW-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO COC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035170 231276925 /nfs/dbraw/zinc/27/69/25/231276925.db2.gz GDRVOODIDLLGDF-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO COCC[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255412258 282255415 /nfs/dbraw/zinc/25/54/15/282255415.db2.gz OCYDVYZIILYKET-DAXSKMNVSA-N 1 1 319.361 1.399 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294909810 530057405 /nfs/dbraw/zinc/05/74/05/530057405.db2.gz ISZNDJHFPILPBG-CQSZACIVSA-N 1 1 319.361 1.768 20 5 DDBDMO Cc1c(CC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330790439 232070574 /nfs/dbraw/zinc/07/05/74/232070574.db2.gz SPHCKBAVWPRXFB-TXEJJXNPSA-N 1 1 305.378 1.997 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)C(F)(F)F)OCCO2 ZINC000616487248 362721099 /nfs/dbraw/zinc/72/10/99/362721099.db2.gz FZZHBQAXYHHPOJ-LLVKDONJSA-N 1 1 322.239 1.379 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182026180 199376269 /nfs/dbraw/zinc/37/62/69/199376269.db2.gz MCVMPSLBXVRTED-AGIUHOORSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182026180 199376270 /nfs/dbraw/zinc/37/62/70/199376270.db2.gz MCVMPSLBXVRTED-AGIUHOORSA-N 1 1 310.350 1.444 20 5 DDBDMO C[N@@H+](CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701673 353062447 /nfs/dbraw/zinc/06/24/47/353062447.db2.gz JCJGPJFNHQVWBV-UHFFFAOYSA-N 1 1 309.391 1.897 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703542 353063732 /nfs/dbraw/zinc/06/37/32/353063732.db2.gz NCFXVYKPHLZRAG-NSHDSACASA-N 1 1 305.334 1.570 20 5 DDBDMO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995644 353500741 /nfs/dbraw/zinc/50/07/41/353500741.db2.gz QFAQRGOPRPFSCO-NSHDSACASA-N 1 1 322.365 1.074 20 5 DDBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000079832243 353578636 /nfs/dbraw/zinc/57/86/36/353578636.db2.gz NWMRBOXWXNDVOC-UHFFFAOYSA-N 1 1 316.365 1.901 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265719 353763839 /nfs/dbraw/zinc/76/38/39/353763839.db2.gz NWVPUUXIYLWBML-LLVKDONJSA-N 1 1 308.338 1.063 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265719 353763841 /nfs/dbraw/zinc/76/38/41/353763841.db2.gz NWVPUUXIYLWBML-LLVKDONJSA-N 1 1 308.338 1.063 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000089926539 353782727 /nfs/dbraw/zinc/78/27/27/353782727.db2.gz WFTPXAHQTPQVHN-UHFFFAOYSA-N 1 1 319.340 1.790 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000090554477 353795675 /nfs/dbraw/zinc/79/56/75/353795675.db2.gz SLKLQGARMROKPU-LBPRGKRZSA-N 1 1 317.349 1.359 20 5 DDBDMO CCc1nn(C)c(NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000094163899 353911753 /nfs/dbraw/zinc/91/17/53/353911753.db2.gz HDEASBHKFWRLRH-NSHDSACASA-N 1 1 311.386 1.271 20 5 DDBDMO NC(=O)N[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270623441 354408174 /nfs/dbraw/zinc/40/81/74/354408174.db2.gz KHPOTJDWTHBITP-LLVKDONJSA-N 1 1 308.338 1.106 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231304 283035012 /nfs/dbraw/zinc/03/50/12/283035012.db2.gz OBROETMBQSTOQC-SCRDCRAPSA-N 1 1 320.393 1.736 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216129 283032865 /nfs/dbraw/zinc/03/28/65/283032865.db2.gz IAARIYJUMISKAV-MISXGVKJSA-N 1 1 306.366 1.725 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000589515069 354998752 /nfs/dbraw/zinc/99/87/52/354998752.db2.gz UVFMXQRKXNBBAP-CYBMUJFWSA-N 1 1 308.334 1.728 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC000590446622 355099757 /nfs/dbraw/zinc/09/97/57/355099757.db2.gz TYJAIVXHGVBAHF-QMTHXVAHSA-N 1 1 314.345 1.852 20 5 DDBDMO C[C@@H]1[C@H](O)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000590762213 355170189 /nfs/dbraw/zinc/17/01/89/355170189.db2.gz BYWWODZEBPXHME-ZWNOBZJWSA-N 1 1 321.333 1.348 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204726 356139557 /nfs/dbraw/zinc/13/95/57/356139557.db2.gz XSYHNFBNPQEGOI-NWDGAFQWSA-N 1 1 306.366 1.680 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594539416 356245677 /nfs/dbraw/zinc/24/56/77/356245677.db2.gz MXCVXNNDJLTUGC-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595551447 356546162 /nfs/dbraw/zinc/54/61/62/356546162.db2.gz LZMGPXFKDXOHES-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536003 356537540 /nfs/dbraw/zinc/53/75/40/356537540.db2.gz LTFACGYHCDUPFL-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657528 356594813 /nfs/dbraw/zinc/59/48/13/356594813.db2.gz MKNGNUAQGDWKRP-MRXNPFEDSA-N 1 1 316.361 1.519 20 5 DDBDMO C[C@@H]1COC2(CCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595683294 356609153 /nfs/dbraw/zinc/60/91/53/356609153.db2.gz WKMXAJAEDLSMMM-GFCCVEGCSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595683294 356609154 /nfs/dbraw/zinc/60/91/54/356609154.db2.gz WKMXAJAEDLSMMM-GFCCVEGCSA-N 1 1 307.350 1.400 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744988 356632158 /nfs/dbraw/zinc/63/21/58/356632158.db2.gz XPLWGVKCKBYEPX-HIFRSBDPSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCO ZINC000595706885 356617160 /nfs/dbraw/zinc/61/71/60/356617160.db2.gz YEYWJSSLLYJQPZ-GXTWGEPZSA-N 1 1 309.366 1.239 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595728986 356625444 /nfs/dbraw/zinc/62/54/44/356625444.db2.gz PGGNRDWJKMDCQK-RISCZKNCSA-N 1 1 319.361 1.704 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000595756853 356638418 /nfs/dbraw/zinc/63/84/18/356638418.db2.gz XXSCJCMIZZNOBZ-YPMHNXCESA-N 1 1 300.334 1.224 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000595788824 356652969 /nfs/dbraw/zinc/65/29/69/356652969.db2.gz YFNLMYSLODHZHI-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000595788824 356652972 /nfs/dbraw/zinc/65/29/72/356652972.db2.gz YFNLMYSLODHZHI-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595833834 356670346 /nfs/dbraw/zinc/67/03/46/356670346.db2.gz RZRUGRHRWBHWCM-FRRDWIJNSA-N 1 1 319.361 1.890 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H]2COC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826936 356665992 /nfs/dbraw/zinc/66/59/92/356665992.db2.gz BESAWYNBWBZWAS-QWHCGFSZSA-N 1 1 319.361 1.892 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595832157 356668664 /nfs/dbraw/zinc/66/86/64/356668664.db2.gz CQCWUBPFLIZVJV-LBPRGKRZSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595832157 356668665 /nfs/dbraw/zinc/66/86/65/356668665.db2.gz CQCWUBPFLIZVJV-LBPRGKRZSA-N 1 1 319.361 1.953 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595865087 356683838 /nfs/dbraw/zinc/68/38/38/356683838.db2.gz ZAQMHISDEYMVAP-OAHLLOKOSA-N 1 1 323.368 1.765 20 5 DDBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000618288412 363567080 /nfs/dbraw/zinc/56/70/80/363567080.db2.gz GFIDKOXNXDTACC-LLVKDONJSA-N 1 1 303.366 1.997 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000596170405 356800924 /nfs/dbraw/zinc/80/09/24/356800924.db2.gz ZLDJJQKPHSKJST-BXUZGUMPSA-N 1 1 318.377 1.614 20 5 DDBDMO Cc1nc(N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596246401 356831267 /nfs/dbraw/zinc/83/12/67/356831267.db2.gz DLQQIBUETVJJCS-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715582 357299861 /nfs/dbraw/zinc/29/98/61/357299861.db2.gz MWIAPFIQEOAUNU-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715582 357299862 /nfs/dbraw/zinc/29/98/62/357299862.db2.gz MWIAPFIQEOAUNU-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597715582 357299864 /nfs/dbraw/zinc/29/98/64/357299864.db2.gz MWIAPFIQEOAUNU-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648864 357669976 /nfs/dbraw/zinc/66/99/76/357669976.db2.gz IAHAZUMIZJXQCD-OLZOCXBDSA-N 1 1 321.377 1.874 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c1 ZINC000599656489 358010527 /nfs/dbraw/zinc/01/05/27/358010527.db2.gz VXYBAXLNXQEHGE-GSJFWJNXSA-N 1 1 308.334 1.584 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674086 358019328 /nfs/dbraw/zinc/01/93/28/358019328.db2.gz WPQTUXJOLOIUOA-KLPPZKSPSA-N 1 1 323.349 1.245 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601127586 358413468 /nfs/dbraw/zinc/41/34/68/358413468.db2.gz KEZONFAMSSULCA-NSHDSACASA-N 1 1 307.325 1.948 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601967817 358757628 /nfs/dbraw/zinc/75/76/28/358757628.db2.gz CJFWRDNVWXVBGK-HNNXBMFYSA-N 1 1 321.377 1.916 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602546371 359038574 /nfs/dbraw/zinc/03/85/74/359038574.db2.gz QZWBHDOAZRWIMO-GFCCVEGCSA-N 1 1 319.365 1.071 20 5 DDBDMO COCCC[N@@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602559409 359045177 /nfs/dbraw/zinc/04/51/77/359045177.db2.gz IMBMGFXYOJYSIC-UHFFFAOYSA-N 1 1 322.365 1.794 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000602482359 359008626 /nfs/dbraw/zinc/00/86/26/359008626.db2.gz FNZOCNGWIYKYMU-WCQYABFASA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000602482359 359008629 /nfs/dbraw/zinc/00/86/29/359008629.db2.gz FNZOCNGWIYKYMU-WCQYABFASA-N 1 1 304.354 1.608 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181976 /nfs/dbraw/zinc/18/19/76/359181976.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181991 /nfs/dbraw/zinc/18/19/91/359181991.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181993 /nfs/dbraw/zinc/18/19/93/359181993.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 1 1 309.414 1.904 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3cnccn3)C2)nc1 ZINC000602794274 359196131 /nfs/dbraw/zinc/19/61/31/359196131.db2.gz NOTMQIUANWNQRI-ZDUSSCGKSA-N 1 1 314.349 1.509 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000602784994 359189802 /nfs/dbraw/zinc/18/98/02/359189802.db2.gz QVMXZSIOTLZBTR-RYUDHWBXSA-N 1 1 312.395 1.306 20 5 DDBDMO Cn1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])n1 ZINC000602716363 359145667 /nfs/dbraw/zinc/14/56/67/359145667.db2.gz UKNAZWYBWHWKPG-GASCZTMLSA-N 1 1 306.366 1.721 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000618467675 363642714 /nfs/dbraw/zinc/64/27/14/363642714.db2.gz PFKXCJSWCJEBBJ-AAEUAGOBSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000618467675 363642716 /nfs/dbraw/zinc/64/27/16/363642716.db2.gz PFKXCJSWCJEBBJ-AAEUAGOBSA-N 1 1 307.350 1.352 20 5 DDBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000603141019 359429838 /nfs/dbraw/zinc/42/98/38/359429838.db2.gz AKQPKFCVGDTCQX-PHIMTYICSA-N 1 1 306.366 1.853 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000603141019 359429843 /nfs/dbraw/zinc/42/98/43/359429843.db2.gz AKQPKFCVGDTCQX-PHIMTYICSA-N 1 1 306.366 1.853 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1O ZINC000186820175 200017021 /nfs/dbraw/zinc/01/70/21/200017021.db2.gz SRJKWAIKGGPKBG-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1O ZINC000186820175 200017023 /nfs/dbraw/zinc/01/70/23/200017023.db2.gz SRJKWAIKGGPKBG-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186944709 200035350 /nfs/dbraw/zinc/03/53/50/200035350.db2.gz OCWBEPSFWGQKRI-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@]1(CO)COCC[NH2+]1 ZINC000603418970 359628250 /nfs/dbraw/zinc/62/82/50/359628250.db2.gz JXZUICYPISNVGP-GFCCVEGCSA-N 1 1 301.730 1.011 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[NH2+]2)c(Cl)c1 ZINC000603418187 359628545 /nfs/dbraw/zinc/62/85/45/359628545.db2.gz CPKVHJSDKOMHFC-LBPRGKRZSA-N 1 1 301.730 1.011 20 5 DDBDMO [NH3+]CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000237786125 202354423 /nfs/dbraw/zinc/35/44/23/202354423.db2.gz UZDJXFBNFVWVRH-UHFFFAOYSA-N 1 1 303.322 1.472 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000609268777 360285325 /nfs/dbraw/zinc/28/53/25/360285325.db2.gz BAGBGZMZWJSUGA-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO O=C([C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610453354 360440542 /nfs/dbraw/zinc/44/05/42/360440542.db2.gz XFYNYNWNQLZZJA-ZDUSSCGKSA-N 1 1 321.381 1.126 20 5 DDBDMO CC[N@@H+](CCC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368177 360423027 /nfs/dbraw/zinc/42/30/27/360423027.db2.gz VKZXESYZRYGLJS-JTQLQIEISA-N 1 1 310.276 1.427 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000374490961 307209180 /nfs/dbraw/zinc/20/91/80/307209180.db2.gz XWLYQRBPCMUFOL-QWRGUYRKSA-N 1 1 312.395 1.477 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610929130 360573777 /nfs/dbraw/zinc/57/37/77/360573777.db2.gz KDHXVDGVCXJJIL-UHFFFAOYSA-N 1 1 314.773 1.536 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611261060 360682828 /nfs/dbraw/zinc/68/28/28/360682828.db2.gz IESVIGLCZYKDKA-SNVBAGLBSA-N 1 1 324.333 1.607 20 5 DDBDMO CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000611615844 360777401 /nfs/dbraw/zinc/77/74/01/360777401.db2.gz CZVMGNLRQDKSFN-KGLIPLIRSA-N 1 1 322.409 1.888 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619434452 364006583 /nfs/dbraw/zinc/00/65/83/364006583.db2.gz OINCDVNJWHYZLW-OAHLLOKOSA-N 1 1 321.333 1.063 20 5 DDBDMO COc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440431 364009964 /nfs/dbraw/zinc/00/99/64/364009964.db2.gz GRFLTXONQVHRKC-GXFFZTMASA-N 1 1 323.349 1.052 20 5 DDBDMO COc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440431 364009971 /nfs/dbraw/zinc/00/99/71/364009971.db2.gz GRFLTXONQVHRKC-GXFFZTMASA-N 1 1 323.349 1.052 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359215273 299359390 /nfs/dbraw/zinc/35/93/90/299359390.db2.gz AZKDMOSIKGGUHY-CYBMUJFWSA-N 1 1 318.377 1.973 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293061544 223377468 /nfs/dbraw/zinc/37/74/68/223377468.db2.gz IMNDROKKUWQIEM-FZMZJTMJSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](O)CC1 ZINC000293061544 223377470 /nfs/dbraw/zinc/37/74/70/223377470.db2.gz IMNDROKKUWQIEM-FZMZJTMJSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000261926690 203153278 /nfs/dbraw/zinc/15/32/78/203153278.db2.gz LDRIVWUNASBBSZ-WDMOLILDSA-N 1 1 307.350 1.457 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000264685205 204076859 /nfs/dbraw/zinc/07/68/59/204076859.db2.gz QVVLADVPPRKYIQ-LLVKDONJSA-N 1 1 323.397 1.732 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000282823064 217275828 /nfs/dbraw/zinc/27/58/28/217275828.db2.gz QDHYIWJEUCJZIY-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000282823064 217275830 /nfs/dbraw/zinc/27/58/30/217275830.db2.gz QDHYIWJEUCJZIY-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266344531 205281966 /nfs/dbraw/zinc/28/19/66/205281966.db2.gz IROOQQWDJBTCCX-RYUDHWBXSA-N 1 1 309.366 1.495 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000288515051 220192325 /nfs/dbraw/zinc/19/23/25/220192325.db2.gz QYKQTJQMWCNTJE-NSHDSACASA-N 1 1 306.366 1.652 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000288515051 220192326 /nfs/dbraw/zinc/19/23/26/220192326.db2.gz QYKQTJQMWCNTJE-NSHDSACASA-N 1 1 306.366 1.652 20 5 DDBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000567031840 304193884 /nfs/dbraw/zinc/19/38/84/304193884.db2.gz FOAJNCVIVVLTEB-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104389057 194003861 /nfs/dbraw/zinc/00/38/61/194003861.db2.gz SCFLAAQEPHPOSU-LBPRGKRZSA-N 1 1 308.382 1.853 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000106396254 194206317 /nfs/dbraw/zinc/20/63/17/194206317.db2.gz XFQZXFYWQDMLGY-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000285232031 218343619 /nfs/dbraw/zinc/34/36/19/218343619.db2.gz YEWBESGWALZYFC-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109848046 194293210 /nfs/dbraw/zinc/29/32/10/194293210.db2.gz ZKIMBADPOBIUTL-JTQLQIEISA-N 1 1 321.333 1.063 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110651847 194347125 /nfs/dbraw/zinc/34/71/25/194347125.db2.gz AXOBJQPQBUUAFI-SNVBAGLBSA-N 1 1 322.321 1.493 20 5 DDBDMO Cc1c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1C ZINC000268874837 207044337 /nfs/dbraw/zinc/04/43/37/207044337.db2.gz JXWLNTVUOGDLBI-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063512766 184284141 /nfs/dbraw/zinc/28/41/41/184284141.db2.gz FKHMMIFIJYBMTO-SNVBAGLBSA-N 1 1 313.741 1.643 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063512766 184284143 /nfs/dbraw/zinc/28/41/43/184284143.db2.gz FKHMMIFIJYBMTO-SNVBAGLBSA-N 1 1 313.741 1.643 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000120191256 195115512 /nfs/dbraw/zinc/11/55/12/195115512.db2.gz NQOXFRWBZBJENN-CQSZACIVSA-N 1 1 303.322 1.340 20 5 DDBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CSC[NH2+]1 ZINC000159143008 197330444 /nfs/dbraw/zinc/33/04/44/197330444.db2.gz MYRJNEJWYAIQFY-CYBMUJFWSA-N 1 1 309.391 1.696 20 5 DDBDMO COCCOC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000295890972 533104779 /nfs/dbraw/zinc/10/47/79/533104779.db2.gz BNDKKXHNLZETSW-INIZCTEOSA-N 1 1 324.377 1.583 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452093841 533676279 /nfs/dbraw/zinc/67/62/79/533676279.db2.gz JHBLFBMSSKEWGM-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452093841 533676268 /nfs/dbraw/zinc/67/62/68/533676268.db2.gz JHBLFBMSSKEWGM-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000073989099 406898073 /nfs/dbraw/zinc/89/80/73/406898073.db2.gz SFHNLXFUXYOXQA-UONOGXRCSA-N 1 1 303.362 1.832 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000032269063 406947352 /nfs/dbraw/zinc/94/73/52/406947352.db2.gz KRDJEKXQZITRKK-ZDUSSCGKSA-N 1 1 324.381 1.020 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)cc1 ZINC000084867114 407095453 /nfs/dbraw/zinc/09/54/53/407095453.db2.gz KAOZOHGPMKJUMW-LBPRGKRZSA-N 1 1 322.283 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)cc1 ZINC000084867114 407095456 /nfs/dbraw/zinc/09/54/56/407095456.db2.gz KAOZOHGPMKJUMW-LBPRGKRZSA-N 1 1 322.283 1.702 20 5 DDBDMO C[N@H+](CCn1cccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000111283242 407405579 /nfs/dbraw/zinc/40/55/79/407405579.db2.gz AWAZZZVWJVVJMB-UHFFFAOYSA-N 1 1 318.333 1.790 20 5 DDBDMO C[N@@H+](CCn1cccn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000111283242 407405581 /nfs/dbraw/zinc/40/55/81/407405581.db2.gz AWAZZZVWJVVJMB-UHFFFAOYSA-N 1 1 318.333 1.790 20 5 DDBDMO COCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112355233 407427711 /nfs/dbraw/zinc/42/77/11/407427711.db2.gz NKSKNVXPKVHTKG-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000113257612 407480205 /nfs/dbraw/zinc/48/02/05/407480205.db2.gz KXEYFDPZQHLKTI-RYUDHWBXSA-N 1 1 314.407 1.891 20 5 DDBDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000113257612 407480207 /nfs/dbraw/zinc/48/02/07/407480207.db2.gz KXEYFDPZQHLKTI-RYUDHWBXSA-N 1 1 314.407 1.891 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270980683 407449688 /nfs/dbraw/zinc/44/96/88/407449688.db2.gz XDCLSMQQAWQUCD-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270980683 407449692 /nfs/dbraw/zinc/44/96/92/407449692.db2.gz XDCLSMQQAWQUCD-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO COc1ccc(C[N@@H+](C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000178704072 407554999 /nfs/dbraw/zinc/55/49/99/407554999.db2.gz SAHJUKVDNICACO-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000171400811 407680802 /nfs/dbraw/zinc/68/08/02/407680802.db2.gz HWXXAUTWDDQSKM-GFCCVEGCSA-N 1 1 309.370 1.009 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000153110657 407756681 /nfs/dbraw/zinc/75/66/81/407756681.db2.gz LTIMTAYWLLBBPA-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO COc1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc(OC)c1 ZINC000267061578 407731753 /nfs/dbraw/zinc/73/17/53/407731753.db2.gz ISGTYFGJNJGQSO-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO CCC[NH+]1CCC(N(C)C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000171665456 407735005 /nfs/dbraw/zinc/73/50/05/407735005.db2.gz RLTSMQDMLOJCTL-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337966 407840395 /nfs/dbraw/zinc/84/03/95/407840395.db2.gz KQNNCLBQOFLXCO-ABAIWWIYSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337966 407840397 /nfs/dbraw/zinc/84/03/97/407840397.db2.gz KQNNCLBQOFLXCO-ABAIWWIYSA-N 1 1 307.350 1.687 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000134097250 407885788 /nfs/dbraw/zinc/88/57/88/407885788.db2.gz JARBIUWBVWXROJ-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000189464956 408025122 /nfs/dbraw/zinc/02/51/22/408025122.db2.gz CPPROEFNQACUKN-VOTSOKGWSA-N 1 1 319.361 1.447 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591207 407997712 /nfs/dbraw/zinc/99/77/12/407997712.db2.gz PMDGNDQFXFRXSX-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591207 407997716 /nfs/dbraw/zinc/99/77/16/407997716.db2.gz PMDGNDQFXFRXSX-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591203 407997928 /nfs/dbraw/zinc/99/79/28/407997928.db2.gz PMDGNDQFXFRXSX-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591203 407997934 /nfs/dbraw/zinc/99/79/34/407997934.db2.gz PMDGNDQFXFRXSX-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000135305454 408002252 /nfs/dbraw/zinc/00/22/52/408002252.db2.gz GPCLNAOTAWZSJO-OAHLLOKOSA-N 1 1 309.366 1.398 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136096463 408076764 /nfs/dbraw/zinc/07/67/64/408076764.db2.gz FZTWZLTUVBSEPD-NSHDSACASA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@H]1CCC[N@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136096463 408076770 /nfs/dbraw/zinc/07/67/70/408076770.db2.gz FZTWZLTUVBSEPD-NSHDSACASA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136096463 408076779 /nfs/dbraw/zinc/07/67/79/408076779.db2.gz FZTWZLTUVBSEPD-NSHDSACASA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220821 408098385 /nfs/dbraw/zinc/09/83/85/408098385.db2.gz DQGXXAUHODJIDV-IHRRRGAJSA-N 1 1 324.377 1.570 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000182327784 408127710 /nfs/dbraw/zinc/12/77/10/408127710.db2.gz BRYXPVRCDXDQOW-CQSZACIVSA-N 1 1 324.377 1.693 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000269432246 408305285 /nfs/dbraw/zinc/30/52/85/408305285.db2.gz BTHQFUYOZZLRGS-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269432750 408308067 /nfs/dbraw/zinc/30/80/67/408308067.db2.gz CIWNUFWVEGQKAL-MWLCHTKSSA-N 1 1 321.381 1.654 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1CO ZINC000190915572 408340863 /nfs/dbraw/zinc/34/08/63/408340863.db2.gz VLDCSMQGTXSQKD-PWSUYJOCSA-N 1 1 318.333 1.705 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225411 408359641 /nfs/dbraw/zinc/35/96/41/408359641.db2.gz QQHCYTHPSTUFMN-BZPMIXESSA-N 1 1 310.350 1.037 20 5 DDBDMO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246853614 408353795 /nfs/dbraw/zinc/35/37/95/408353795.db2.gz BQBKKBGKQQEUEE-QWHCGFSZSA-N 1 1 308.382 1.580 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000191021058 408358219 /nfs/dbraw/zinc/35/82/19/408358219.db2.gz JUKBUQQXBUZHMZ-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000183555139 408439805 /nfs/dbraw/zinc/43/98/05/408439805.db2.gz LKYWIPUPRNYJEG-MNOVXSKESA-N 1 1 307.354 1.936 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000270343052 408495870 /nfs/dbraw/zinc/49/58/70/408495870.db2.gz CSOLFVYWGJTFPR-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130334 408526955 /nfs/dbraw/zinc/52/69/55/408526955.db2.gz DECHSJVQDGHIHW-CMPLNLGQSA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176889797 408466959 /nfs/dbraw/zinc/46/69/59/408466959.db2.gz AFVKODSKOHYMTD-LLVKDONJSA-N 1 1 306.366 1.652 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177208309 408552048 /nfs/dbraw/zinc/55/20/48/408552048.db2.gz XBIIPUCODXXVPU-SECBINFHSA-N 1 1 306.322 1.550 20 5 DDBDMO C[C@@H]1CSCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462590 408574153 /nfs/dbraw/zinc/57/41/53/408574153.db2.gz PZPFXNFINAYNEN-VXGBXAGGSA-N 1 1 312.391 1.772 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177159446 408538412 /nfs/dbraw/zinc/53/84/12/408538412.db2.gz QULFGRXFEHRGLQ-MNOVXSKESA-N 1 1 319.361 1.958 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792441 408650709 /nfs/dbraw/zinc/65/07/09/408650709.db2.gz YKVWBMOXBAESOJ-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792441 408650713 /nfs/dbraw/zinc/65/07/13/408650713.db2.gz YKVWBMOXBAESOJ-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000192792441 408650718 /nfs/dbraw/zinc/65/07/18/408650718.db2.gz YKVWBMOXBAESOJ-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248880617 408653557 /nfs/dbraw/zinc/65/35/57/408653557.db2.gz WVPGHUACUMNUMJ-GVXVVHGQSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248880617 408653563 /nfs/dbraw/zinc/65/35/63/408653563.db2.gz WVPGHUACUMNUMJ-GVXVVHGQSA-N 1 1 308.338 1.065 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000248900270 408658168 /nfs/dbraw/zinc/65/81/68/408658168.db2.gz HEWIKXRIRHGSRD-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249541358 408739437 /nfs/dbraw/zinc/73/94/37/408739437.db2.gz DZQTUDSYOUPWEN-SWLSCSKDSA-N 1 1 321.377 1.950 20 5 DDBDMO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000193144341 408699989 /nfs/dbraw/zinc/69/99/89/408699989.db2.gz LKADIABDQJIAOG-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000251690516 408783668 /nfs/dbraw/zinc/78/36/68/408783668.db2.gz OYBWMSRIWBFEHZ-WDEREUQCSA-N 1 1 322.365 1.546 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000163751285 408788703 /nfs/dbraw/zinc/78/87/03/408788703.db2.gz AWTGRDSSMQMUJK-GRYCIOLGSA-N 1 1 323.397 1.425 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105885 408758168 /nfs/dbraw/zinc/75/81/68/408758168.db2.gz VCVIFEGTUZTYFE-BIBXISHDSA-N 1 1 300.380 1.672 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCn3cncc3C2)c1[N+](=O)[O-] ZINC000290867099 408846097 /nfs/dbraw/zinc/84/60/97/408846097.db2.gz ASVGTVRXASBGDZ-UHFFFAOYSA-N 1 1 304.310 1.123 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000280855696 408847247 /nfs/dbraw/zinc/84/72/47/408847247.db2.gz ATSSVRGAFYYGMU-CYBMUJFWSA-N 1 1 321.377 1.740 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)OC ZINC000291143843 408860065 /nfs/dbraw/zinc/86/00/65/408860065.db2.gz DBHUNVWLIGBSHD-LBPRGKRZSA-N 1 1 321.377 1.841 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)OC ZINC000291143843 408860068 /nfs/dbraw/zinc/86/00/68/408860068.db2.gz DBHUNVWLIGBSHD-LBPRGKRZSA-N 1 1 321.377 1.841 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000191096323 163172242 /nfs/dbraw/zinc/17/22/42/163172242.db2.gz MRKOANLZRHKVKH-UHFFFAOYSA-N 1 1 311.363 1.064 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277404967 408934557 /nfs/dbraw/zinc/93/45/57/408934557.db2.gz YRPYSVOXOZWZGE-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2C[NH+]3CCN2CC3)s1 ZINC000286216568 408943548 /nfs/dbraw/zinc/94/35/48/408943548.db2.gz NFPTWEJHKMKSQH-SECBINFHSA-N 1 1 320.378 1.011 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000292004270 408961297 /nfs/dbraw/zinc/96/12/97/408961297.db2.gz VKLAKELKKOXWLV-GFCCVEGCSA-N 1 1 309.366 1.819 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](C2CCC2)C1 ZINC000292256954 409010870 /nfs/dbraw/zinc/01/08/70/409010870.db2.gz FDGCEOTWDHSOGU-LLVKDONJSA-N 1 1 306.366 1.869 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000287517764 409048356 /nfs/dbraw/zinc/04/83/56/409048356.db2.gz UVCMBEFOZPZEBC-LBPRGKRZSA-N 1 1 321.377 1.577 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000293327982 409090087 /nfs/dbraw/zinc/09/00/87/409090087.db2.gz IWNZLWPGLPHUML-ZJUUUORDSA-N 1 1 307.354 1.094 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000289140405 409224002 /nfs/dbraw/zinc/22/40/02/409224002.db2.gz SEPJGWMHDGYBAX-JTQLQIEISA-N 1 1 309.370 1.621 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293919222 409206199 /nfs/dbraw/zinc/20/61/99/409206199.db2.gz PFPIDGCDDYQZME-INIZCTEOSA-N 1 1 318.377 1.561 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573619 409363329 /nfs/dbraw/zinc/36/33/29/409363329.db2.gz VRLHBEPQIHYMIO-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573619 409363336 /nfs/dbraw/zinc/36/33/36/409363336.db2.gz VRLHBEPQIHYMIO-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]([N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223019 409381928 /nfs/dbraw/zinc/38/19/28/409381928.db2.gz VVKRZAWYDIXMDI-RYUDHWBXSA-N 1 1 312.366 1.426 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290674995 409485081 /nfs/dbraw/zinc/48/50/81/409485081.db2.gz RPLPIDOWTDAVQR-LLVKDONJSA-N 1 1 321.381 1.765 20 5 DDBDMO COc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331520075 409595814 /nfs/dbraw/zinc/59/58/14/409595814.db2.gz NVPNIHAVQHHCIW-ZWNOBZJWSA-N 1 1 319.361 1.816 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354147467 409692823 /nfs/dbraw/zinc/69/28/23/409692823.db2.gz DECPUABOHKDPQQ-HNNXBMFYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000356853680 409664916 /nfs/dbraw/zinc/66/49/16/409664916.db2.gz OCQLLPAPJFTRSG-VXGBXAGGSA-N 1 1 307.350 1.525 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558958 409723104 /nfs/dbraw/zinc/72/31/04/409723104.db2.gz DSUYZFLCFPZAEQ-MFKMUULPSA-N 1 1 306.366 1.834 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000357012403 409794274 /nfs/dbraw/zinc/79/42/74/409794274.db2.gz YQJUYRQNWITJOT-OLZOCXBDSA-N 1 1 320.393 1.866 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000338422420 409975393 /nfs/dbraw/zinc/97/53/93/409975393.db2.gz AANRHAQWOIAZEP-CYBMUJFWSA-N 1 1 323.397 1.562 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@@H]3CC[N@@H+](C)C3)n2)c1 ZINC000350277004 409937008 /nfs/dbraw/zinc/93/70/08/409937008.db2.gz QSJVBQPPPVXNMJ-SNVBAGLBSA-N 1 1 318.333 1.996 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338794062 410037566 /nfs/dbraw/zinc/03/75/66/410037566.db2.gz KLJIWFIEPCGNBQ-PHIMTYICSA-N 1 1 306.366 1.483 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357460896 410052472 /nfs/dbraw/zinc/05/24/72/410052472.db2.gz RRFGCWKBNDADCO-NXEZZACHSA-N 1 1 307.354 1.008 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332311531 410061388 /nfs/dbraw/zinc/06/13/88/410061388.db2.gz MWRJETUMFGDJFB-LBPRGKRZSA-N 1 1 318.377 1.120 20 5 DDBDMO CCNC(=O)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000339321226 410089985 /nfs/dbraw/zinc/08/99/85/410089985.db2.gz QBOPUTONQMHXEX-CQSZACIVSA-N 1 1 319.365 1.721 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000332604588 410191376 /nfs/dbraw/zinc/19/13/76/410191376.db2.gz OEOALANOGJLCBK-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000332604588 410191379 /nfs/dbraw/zinc/19/13/79/410191379.db2.gz OEOALANOGJLCBK-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO Cc1[nH+]ccn1CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000298514544 410270253 /nfs/dbraw/zinc/27/02/53/410270253.db2.gz PCVIAZZYGCPXTN-UHFFFAOYSA-N 1 1 314.301 1.786 20 5 DDBDMO C[N@@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000343315509 410347053 /nfs/dbraw/zinc/34/70/53/410347053.db2.gz XVZUFLFTNLGGTJ-CYBMUJFWSA-N 1 1 323.418 1.691 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790190 410400683 /nfs/dbraw/zinc/40/06/83/410400683.db2.gz JMXYLJIUKWVAQU-QWRGUYRKSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790190 410400692 /nfs/dbraw/zinc/40/06/92/410400692.db2.gz JMXYLJIUKWVAQU-QWRGUYRKSA-N 1 1 321.333 1.417 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339781500 410453926 /nfs/dbraw/zinc/45/39/26/410453926.db2.gz YDYPPRRCIMALAK-ZFWWWQNUSA-N 1 1 324.381 1.043 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)O ZINC000352200654 410545910 /nfs/dbraw/zinc/54/59/10/410545910.db2.gz BFSLONUDBSZQLE-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H](C)O ZINC000352200654 410545916 /nfs/dbraw/zinc/54/59/16/410545916.db2.gz BFSLONUDBSZQLE-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000343725317 410649239 /nfs/dbraw/zinc/64/92/39/410649239.db2.gz NWWZVPQGYKALIR-CYBMUJFWSA-N 1 1 312.391 1.773 20 5 DDBDMO COCC1(O)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000330497461 410731866 /nfs/dbraw/zinc/73/18/66/410731866.db2.gz ZIOJEIBSARPKQA-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO Cc1ccnc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301246525 410685203 /nfs/dbraw/zinc/68/52/03/410685203.db2.gz ATDQRLAEXBCXIA-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCCCC1 ZINC000353165437 410822996 /nfs/dbraw/zinc/82/29/96/410822996.db2.gz IJYNJSURIASQLT-UHFFFAOYSA-N 1 1 309.414 1.989 20 5 DDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCCCC1 ZINC000353165437 410823002 /nfs/dbraw/zinc/82/30/02/410823002.db2.gz IJYNJSURIASQLT-UHFFFAOYSA-N 1 1 309.414 1.989 20 5 DDBDMO COc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330602657 410817061 /nfs/dbraw/zinc/81/70/61/410817061.db2.gz WUJUJFGIEFRVGN-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330602657 410817066 /nfs/dbraw/zinc/81/70/66/410817066.db2.gz WUJUJFGIEFRVGN-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080045 410935591 /nfs/dbraw/zinc/93/55/91/410935591.db2.gz XGQMVQPEAGSVAE-JSGCOSHPSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080045 410935594 /nfs/dbraw/zinc/93/55/94/410935594.db2.gz XGQMVQPEAGSVAE-JSGCOSHPSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)OCO2 ZINC000341292813 410987612 /nfs/dbraw/zinc/98/76/12/410987612.db2.gz HPIPNKPNYCEVHP-SECBINFHSA-N 1 1 304.306 1.908 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000331184641 411003345 /nfs/dbraw/zinc/00/33/45/411003345.db2.gz YIYASLLSUYDWMI-HNNXBMFYSA-N 1 1 321.377 1.772 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353369160 410944164 /nfs/dbraw/zinc/94/41/64/410944164.db2.gz KCBNOMCVBKELDE-LLVKDONJSA-N 1 1 307.354 1.312 20 5 DDBDMO COc1ccc(OCCN2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331279235 411053990 /nfs/dbraw/zinc/05/39/90/411053990.db2.gz SRXRHTHBRZYIOX-LBPRGKRZSA-N 1 1 309.366 1.618 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000331294207 411061622 /nfs/dbraw/zinc/06/16/22/411061622.db2.gz RHWFVLWIWJQEKD-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000331294207 411061626 /nfs/dbraw/zinc/06/16/26/411061626.db2.gz RHWFVLWIWJQEKD-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000356606237 411104026 /nfs/dbraw/zinc/10/40/26/411104026.db2.gz VSGVTOIFSSXCHE-NSHDSACASA-N 1 1 311.386 1.661 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000353710991 411116756 /nfs/dbraw/zinc/11/67/56/411116756.db2.gz LWTWHXFLVUQLAV-LLVKDONJSA-N 1 1 307.354 1.122 20 5 DDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000353774882 411127379 /nfs/dbraw/zinc/12/73/79/411127379.db2.gz JIAWSDCAUJVRPY-AGLBCWCQSA-N 1 1 324.402 1.975 20 5 DDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000353774882 411127382 /nfs/dbraw/zinc/12/73/82/411127382.db2.gz JIAWSDCAUJVRPY-AGLBCWCQSA-N 1 1 324.402 1.975 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000131842943 196203676 /nfs/dbraw/zinc/20/36/76/196203676.db2.gz HYFSYQVTKTYMEF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000134035216 196356028 /nfs/dbraw/zinc/35/60/28/196356028.db2.gz HKZCIOMABTUESF-LBPRGKRZSA-N 1 1 307.350 1.293 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000134069113 196358575 /nfs/dbraw/zinc/35/85/75/196358575.db2.gz QOCQLCURJKUPPO-LLVKDONJSA-N 1 1 311.338 1.155 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296666009 226103389 /nfs/dbraw/zinc/10/33/89/226103389.db2.gz KJOKVXOJRGIMRP-ZBFHGGJFSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000419322454 226114484 /nfs/dbraw/zinc/11/44/84/226114484.db2.gz HKDGQTWFYUWDMQ-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](C2CC2)C1 ZINC000296803079 226229674 /nfs/dbraw/zinc/22/96/74/226229674.db2.gz UJYZUUNVNROAIO-CYBMUJFWSA-N 1 1 320.393 1.173 20 5 DDBDMO O=C(CCN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360565417 418466459 /nfs/dbraw/zinc/46/64/59/418466459.db2.gz UPUUXUSCHQASPG-MRXNPFEDSA-N 1 1 318.377 1.609 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2nonc21 ZINC000366859500 418527878 /nfs/dbraw/zinc/52/78/78/418527878.db2.gz YNNPSNVPDBQULE-SNVBAGLBSA-N 1 1 319.321 1.042 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccncc1[N+](=O)[O-] ZINC000361041169 418572922 /nfs/dbraw/zinc/57/29/22/418572922.db2.gz CPHPHPVVGXWTSG-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000360967102 418556203 /nfs/dbraw/zinc/55/62/03/418556203.db2.gz WZIMKJVAABQKBE-LLVKDONJSA-N 1 1 311.386 1.413 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCOCC1 ZINC000361002695 418563875 /nfs/dbraw/zinc/56/38/75/418563875.db2.gz PABRKPVGZBXNCH-NSHDSACASA-N 1 1 311.386 1.500 20 5 DDBDMO C=Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000193983978 222168706 /nfs/dbraw/zinc/16/87/06/222168706.db2.gz MFUWDVPSMQCTKO-CYBMUJFWSA-N 1 1 314.349 1.973 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1[C@@H]1CCCO1 ZINC000367724746 418627799 /nfs/dbraw/zinc/62/77/99/418627799.db2.gz HFQBKASWMWDLAD-MELADBBJSA-N 1 1 324.381 1.042 20 5 DDBDMO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399829 418634426 /nfs/dbraw/zinc/63/44/26/418634426.db2.gz AXNSRNNSIYELME-QWHCGFSZSA-N 1 1 323.397 1.733 20 5 DDBDMO CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399829 418634427 /nfs/dbraw/zinc/63/44/27/418634427.db2.gz AXNSRNNSIYELME-QWHCGFSZSA-N 1 1 323.397 1.733 20 5 DDBDMO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362573 418635775 /nfs/dbraw/zinc/63/57/75/418635775.db2.gz TYPVGOVIHFKGSI-NWDGAFQWSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362573 418635778 /nfs/dbraw/zinc/63/57/78/418635778.db2.gz TYPVGOVIHFKGSI-NWDGAFQWSA-N 1 1 307.350 1.951 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000368133898 418694434 /nfs/dbraw/zinc/69/44/34/418694434.db2.gz IDLDZDDNNXPULU-REBRKWNGSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368133898 418694437 /nfs/dbraw/zinc/69/44/37/418694437.db2.gz IDLDZDDNNXPULU-REBRKWNGSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368133898 418694439 /nfs/dbraw/zinc/69/44/39/418694439.db2.gz IDLDZDDNNXPULU-REBRKWNGSA-N 1 1 303.362 1.288 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000371446961 418790946 /nfs/dbraw/zinc/79/09/46/418790946.db2.gz IENKFCGEZMSPCE-STQMWFEESA-N 1 1 308.382 1.967 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000364961216 418828454 /nfs/dbraw/zinc/82/84/54/418828454.db2.gz YAOHNDLEYFUKHU-GWCFXTLKSA-N 1 1 319.390 2.551 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572347 418877801 /nfs/dbraw/zinc/87/78/01/418877801.db2.gz LEFMFKBVTJFPDQ-HKUMRIAESA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572347 418877805 /nfs/dbraw/zinc/87/78/05/418877805.db2.gz LEFMFKBVTJFPDQ-HKUMRIAESA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000365572347 418877807 /nfs/dbraw/zinc/87/78/07/418877807.db2.gz LEFMFKBVTJFPDQ-HKUMRIAESA-N 1 1 323.418 1.912 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411186086 418877811 /nfs/dbraw/zinc/87/78/11/418877811.db2.gz IRDVWCIBKFJUMQ-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nn21 ZINC000372703428 418894120 /nfs/dbraw/zinc/89/41/20/418894120.db2.gz IDOIEHMCTDHWSJ-WDEREUQCSA-N 1 1 302.338 1.676 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365839909 418914988 /nfs/dbraw/zinc/91/49/88/418914988.db2.gz UBWWCQCCKPVOTO-BDJLRTHQSA-N 1 1 319.361 1.769 20 5 DDBDMO Cc1ccnc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000372957580 418916359 /nfs/dbraw/zinc/91/63/59/418916359.db2.gz ZUEOVVYAFGBGQL-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1ccnc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000372957580 418916361 /nfs/dbraw/zinc/91/63/61/418916361.db2.gz ZUEOVVYAFGBGQL-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000420968472 419389369 /nfs/dbraw/zinc/38/93/69/419389369.db2.gz BXCRZZIATVKKSJ-GFCCVEGCSA-N 1 1 321.377 1.950 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943302 419372482 /nfs/dbraw/zinc/37/24/82/419372482.db2.gz POQPOECQNYKBRA-OLZOCXBDSA-N 1 1 324.377 1.933 20 5 DDBDMO C[C@H](O)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101486 419661641 /nfs/dbraw/zinc/66/16/41/419661641.db2.gz WZXDFPRIFFUEST-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H](O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101486 419661656 /nfs/dbraw/zinc/66/16/56/419661656.db2.gz WZXDFPRIFFUEST-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCSC1 ZINC000433195554 229171209 /nfs/dbraw/zinc/17/12/09/229171209.db2.gz WINCLHJXUMMCDX-GFCCVEGCSA-N 1 1 314.411 1.635 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027297 419963415 /nfs/dbraw/zinc/96/34/15/419963415.db2.gz DRMGBCUDPQHEQX-HZSPNIEDSA-N 1 1 307.398 1.453 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430934694 420213645 /nfs/dbraw/zinc/21/36/45/420213645.db2.gz QLSGWTAZUQJVGN-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416287334 420308102 /nfs/dbraw/zinc/30/81/02/420308102.db2.gz BWMOFCMSGNHBCZ-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416287334 420308106 /nfs/dbraw/zinc/30/81/06/420308106.db2.gz BWMOFCMSGNHBCZ-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO CNC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420629996 420335123 /nfs/dbraw/zinc/33/51/23/420335123.db2.gz DATJHWNBJKYMSK-LBPRGKRZSA-N 1 1 306.366 1.485 20 5 DDBDMO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315462 230363163 /nfs/dbraw/zinc/36/31/63/230363163.db2.gz QPCFGKMJVSJFRL-MLGOLLRUSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315462 230363164 /nfs/dbraw/zinc/36/31/64/230363164.db2.gz QPCFGKMJVSJFRL-MLGOLLRUSA-N 1 1 324.377 1.365 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000450780378 420528044 /nfs/dbraw/zinc/52/80/44/420528044.db2.gz QDCTYUNKSBJJPW-XHDPSFHLSA-N 1 1 319.361 1.830 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000457079747 420605888 /nfs/dbraw/zinc/60/58/88/420605888.db2.gz SMIUVLAZHQGMDE-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000442309767 420678469 /nfs/dbraw/zinc/67/84/69/420678469.db2.gz UDOXXMQARJQSRQ-MNOVXSKESA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000442309767 420678472 /nfs/dbraw/zinc/67/84/72/420678472.db2.gz UDOXXMQARJQSRQ-MNOVXSKESA-N 1 1 320.349 1.084 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447911290 420816377 /nfs/dbraw/zinc/81/63/77/420816377.db2.gz ZMWAQJXWMDWBER-DGCLKSJQSA-N 1 1 300.742 1.878 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(N(C)C)no1 ZINC000449257990 420976517 /nfs/dbraw/zinc/97/65/17/420976517.db2.gz NYQXMQCTRHNPIV-SNVBAGLBSA-N 1 1 305.338 1.765 20 5 DDBDMO CNc1nc(C(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000455641903 421049096 /nfs/dbraw/zinc/04/90/96/421049096.db2.gz AEVIGWSHVHNIKY-UHFFFAOYSA-N 1 1 319.365 1.342 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456039688 421092652 /nfs/dbraw/zinc/09/26/52/421092652.db2.gz MVBYDWHFLRVSQS-CYBMUJFWSA-N 1 1 321.381 1.444 20 5 DDBDMO CNc1nc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000456065406 421094319 /nfs/dbraw/zinc/09/43/19/421094319.db2.gz NAOZFZGZIOOYMD-SNVBAGLBSA-N 1 1 309.370 1.490 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456226400 421127566 /nfs/dbraw/zinc/12/75/66/421127566.db2.gz OFRZEJGHFHHLBW-BETUJISGSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456226400 421127570 /nfs/dbraw/zinc/12/75/70/421127570.db2.gz OFRZEJGHFHHLBW-BETUJISGSA-N 1 1 321.377 1.051 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000449764501 421077834 /nfs/dbraw/zinc/07/78/34/421077834.db2.gz BQXCRFBHWDGTSZ-JQWIXIFHSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000449764501 421077835 /nfs/dbraw/zinc/07/78/35/421077835.db2.gz BQXCRFBHWDGTSZ-JQWIXIFHSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000449785785 421082016 /nfs/dbraw/zinc/08/20/16/421082016.db2.gz JCGBBDYBOBAFSA-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449785786 421082754 /nfs/dbraw/zinc/08/27/54/421082754.db2.gz JCGBBDYBOBAFSA-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000456335297 421143660 /nfs/dbraw/zinc/14/36/60/421143660.db2.gz AJDZELPTNPCLNK-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Nc1ncccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450569994 421211422 /nfs/dbraw/zinc/21/14/22/421211422.db2.gz OSNOIKFLBHOKLI-LBPRGKRZSA-N 1 1 314.349 1.653 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000560624416 421284508 /nfs/dbraw/zinc/28/45/08/421284508.db2.gz MVWXQHPPUFWHJQ-WCQYABFASA-N 1 1 319.361 1.912 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(C)(C)O)CC1 ZINC000563548491 421520510 /nfs/dbraw/zinc/52/05/10/421520510.db2.gz HDAUWAUQUKOPCX-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000516978464 421585980 /nfs/dbraw/zinc/58/59/80/421585980.db2.gz GNMXVLRPUIWNDO-UHFFFAOYSA-N 1 1 307.398 1.779 20 5 DDBDMO CN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010347 421587652 /nfs/dbraw/zinc/58/76/52/421587652.db2.gz JOZYWROWBHFUFA-OCCSQVGLSA-N 1 1 317.345 1.532 20 5 DDBDMO CN1C(=O)C[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010347 421587654 /nfs/dbraw/zinc/58/76/54/421587654.db2.gz JOZYWROWBHFUFA-OCCSQVGLSA-N 1 1 317.345 1.532 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128841 421633364 /nfs/dbraw/zinc/63/33/64/421633364.db2.gz SWZXXCGQGZBWGH-SCRDCRAPSA-N 1 1 320.393 1.736 20 5 DDBDMO COc1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000519832520 421733715 /nfs/dbraw/zinc/73/37/15/421733715.db2.gz IYOMXNOQMJULIC-UHFFFAOYSA-N 1 1 323.393 1.540 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522306429 421823820 /nfs/dbraw/zinc/82/38/20/421823820.db2.gz PDRSBBZZUDAVPY-LBPRGKRZSA-N 1 1 304.350 1.631 20 5 DDBDMO C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CC(C)C1 ZINC000580842306 421847318 /nfs/dbraw/zinc/84/73/18/421847318.db2.gz CGFOGAMDHSJOPF-SNVBAGLBSA-N 1 1 317.349 1.428 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000580929553 421863501 /nfs/dbraw/zinc/86/35/01/421863501.db2.gz AELAQLHYCOGKQJ-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000581984176 422082498 /nfs/dbraw/zinc/08/24/98/422082498.db2.gz QWQOJHMGCBRLSC-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000581984176 422082504 /nfs/dbraw/zinc/08/25/04/422082504.db2.gz QWQOJHMGCBRLSC-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO CNc1nccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597861295 422392190 /nfs/dbraw/zinc/39/21/90/422392190.db2.gz SKUFZEAFGXDXIM-SNVBAGLBSA-N 1 1 321.381 1.634 20 5 DDBDMO Nc1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc1[N+](=O)[O-] ZINC000599126990 422403068 /nfs/dbraw/zinc/40/30/68/422403068.db2.gz KUXAFLKRKZNFMN-GFCCVEGCSA-N 1 1 305.382 2.391 20 5 DDBDMO CC[NH+](CC)C[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341691093 271172485 /nfs/dbraw/zinc/17/24/85/271172485.db2.gz BBXOTGUADMPNNG-SNVBAGLBSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000341782273 271211161 /nfs/dbraw/zinc/21/11/61/271211161.db2.gz ZJDIWIRLMFCPFS-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000341782273 271211163 /nfs/dbraw/zinc/21/11/63/271211163.db2.gz ZJDIWIRLMFCPFS-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000344436218 272027058 /nfs/dbraw/zinc/02/70/58/272027058.db2.gz PVGUOFNMVRWIPJ-AWEZNQCLSA-N 1 1 306.366 1.681 20 5 DDBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344582145 272065144 /nfs/dbraw/zinc/06/51/44/272065144.db2.gz OGKWMFGHDVXSRP-NSHDSACASA-N 1 1 318.333 1.929 20 5 DDBDMO COc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000301646497 274096948 /nfs/dbraw/zinc/09/69/48/274096948.db2.gz ICIFIEAJOIQGEX-TZMCWYRMSA-N 1 1 311.313 1.262 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000433847087 276041841 /nfs/dbraw/zinc/04/18/41/276041841.db2.gz CMMMJRVOHNNBAT-QWRGUYRKSA-N 1 1 321.381 1.798 20 5 DDBDMO CCNc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000411038867 276271512 /nfs/dbraw/zinc/27/15/12/276271512.db2.gz CCFVPAJAZKLBGO-SWLSCSKDSA-N 1 1 318.377 1.803 20 5 DDBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181357457 294282762 /nfs/dbraw/zinc/28/27/62/294282762.db2.gz QZFHTEZWKOPOEZ-AWEZNQCLSA-N 1 1 315.333 1.115 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165683056 298216047 /nfs/dbraw/zinc/21/60/47/298216047.db2.gz LLLJFOBSZBXJRR-GFCCVEGCSA-N 1 1 323.397 1.713 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000362434293 300062034 /nfs/dbraw/zinc/06/20/34/300062034.db2.gz RMBWJUHRUCVAFZ-LLVKDONJSA-N 1 1 301.306 1.234 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000362434293 300062035 /nfs/dbraw/zinc/06/20/35/300062035.db2.gz RMBWJUHRUCVAFZ-LLVKDONJSA-N 1 1 301.306 1.234 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000363171562 300226024 /nfs/dbraw/zinc/22/60/24/300226024.db2.gz ZSEVUGJGSZWQSE-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000363171562 300226028 /nfs/dbraw/zinc/22/60/28/300226028.db2.gz ZSEVUGJGSZWQSE-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000363171562 300226029 /nfs/dbraw/zinc/22/60/29/300226029.db2.gz ZSEVUGJGSZWQSE-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412263 301022402 /nfs/dbraw/zinc/02/24/02/301022402.db2.gz RMJWPXATFKIWBM-FZMZJTMJSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000368412263 301022405 /nfs/dbraw/zinc/02/24/05/301022405.db2.gz RMJWPXATFKIWBM-FZMZJTMJSA-N 1 1 319.361 1.687 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497261 301040970 /nfs/dbraw/zinc/04/09/70/301040970.db2.gz XBSQUIIMJXFIBB-LVQVYYBASA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497261 301040972 /nfs/dbraw/zinc/04/09/72/301040972.db2.gz XBSQUIIMJXFIBB-LVQVYYBASA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497261 301040973 /nfs/dbraw/zinc/04/09/73/301040973.db2.gz XBSQUIIMJXFIBB-LVQVYYBASA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368587933 301059104 /nfs/dbraw/zinc/05/91/04/301059104.db2.gz BUQQVMYWXKYPHJ-TZMCWYRMSA-N 1 1 319.361 1.526 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964176 301111315 /nfs/dbraw/zinc/11/13/15/301111315.db2.gz NDCQJJJAVVZLIA-XUJVJEKNSA-N 1 1 319.361 1.559 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000370095054 301274919 /nfs/dbraw/zinc/27/49/19/301274919.db2.gz RDARFGGVVWUZON-GJZGRUSLSA-N 1 1 324.381 1.187 20 5 DDBDMO CCNC(=O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370872993 301398778 /nfs/dbraw/zinc/39/87/78/301398778.db2.gz MZECMBHQNVLSEL-UHFFFAOYSA-N 1 1 318.377 1.711 20 5 DDBDMO CCNC(=O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370872993 301398780 /nfs/dbraw/zinc/39/87/80/301398780.db2.gz MZECMBHQNVLSEL-UHFFFAOYSA-N 1 1 318.377 1.711 20 5 DDBDMO COC[C@@H](O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873997 301399101 /nfs/dbraw/zinc/39/91/01/301399101.db2.gz WRUUKVJQAGMCSL-AWEZNQCLSA-N 1 1 321.377 1.582 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058242 302138955 /nfs/dbraw/zinc/13/89/55/302138955.db2.gz VKAYDHXURRATFT-MNOVXSKESA-N 1 1 306.322 1.052 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]12 ZINC000377715114 302217863 /nfs/dbraw/zinc/21/78/63/302217863.db2.gz CTYOYUXHKQJIHC-KOLCDFICSA-N 1 1 316.317 1.304 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@H]12 ZINC000377715114 302217866 /nfs/dbraw/zinc/21/78/66/302217866.db2.gz CTYOYUXHKQJIHC-KOLCDFICSA-N 1 1 316.317 1.304 20 5 DDBDMO C[C@@H]1COCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000378286045 302308392 /nfs/dbraw/zinc/30/83/92/302308392.db2.gz JDUYRTKVUSPYRD-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000378398043 302321548 /nfs/dbraw/zinc/32/15/48/302321548.db2.gz GSEGRGPORSGCQA-HNNXBMFYSA-N 1 1 321.377 1.380 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000530306825 303191969 /nfs/dbraw/zinc/19/19/69/303191969.db2.gz MPOCPYRCXKZMPG-UHFFFAOYSA-N 1 1 319.361 1.524 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362582532 307020931 /nfs/dbraw/zinc/02/09/31/307020931.db2.gz ZMLNMHIDHROUOH-VIFPVBQESA-N 1 1 313.304 1.483 20 5 DDBDMO Cc1cc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887498 307052485 /nfs/dbraw/zinc/05/24/85/307052485.db2.gz JEHNEPJRDCNOHA-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000364887498 307052486 /nfs/dbraw/zinc/05/24/86/307052486.db2.gz JEHNEPJRDCNOHA-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000370813785 307136909 /nfs/dbraw/zinc/13/69/09/307136909.db2.gz BQKSMWCVXNIIMP-UHFFFAOYSA-N 1 1 305.378 2.000 20 5 DDBDMO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330448 307168022 /nfs/dbraw/zinc/16/80/22/307168022.db2.gz KZWUTCHFJKLOHJ-RWMBFGLXSA-N 1 1 323.397 1.731 20 5 DDBDMO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330448 307168023 /nfs/dbraw/zinc/16/80/23/307168023.db2.gz KZWUTCHFJKLOHJ-RWMBFGLXSA-N 1 1 323.397 1.731 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000517395356 307433525 /nfs/dbraw/zinc/43/35/25/307433525.db2.gz HSMXCNYHNBIMEF-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO COC(=O)c1cnc(NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000564766621 308005092 /nfs/dbraw/zinc/00/50/92/308005092.db2.gz GINVPWVZQHIYSU-NSHDSACASA-N 1 1 322.365 1.919 20 5 DDBDMO Cn1cc([C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2(C)C)cn1 ZINC000573264017 308234845 /nfs/dbraw/zinc/23/48/45/308234845.db2.gz QGWUQZYOUOGEFW-CYBMUJFWSA-N 1 1 318.381 1.650 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000451440160 533822184 /nfs/dbraw/zinc/82/21/84/533822184.db2.gz WLUPKLVHTWRLJT-ZDUSSCGKSA-N 1 1 302.277 1.805 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000451440160 533822194 /nfs/dbraw/zinc/82/21/94/533822194.db2.gz WLUPKLVHTWRLJT-ZDUSSCGKSA-N 1 1 302.277 1.805 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445176534 533826498 /nfs/dbraw/zinc/82/64/98/533826498.db2.gz DYUWAPWWXPPCLI-PHIMTYICSA-N 1 1 322.365 1.688 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000305427192 527363705 /nfs/dbraw/zinc/36/37/05/527363705.db2.gz CAMRGBVYKMBFNW-CYBMUJFWSA-N 1 1 307.350 1.429 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000444177429 528512970 /nfs/dbraw/zinc/51/29/70/528512970.db2.gz VWLPAHZIDGIKDS-UHFFFAOYSA-N 1 1 321.424 1.665 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457199682 528546113 /nfs/dbraw/zinc/54/61/13/528546113.db2.gz LDVDSDVDWHVJES-UHFFFAOYSA-N 1 1 323.397 1.875 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412270878 528984213 /nfs/dbraw/zinc/98/42/13/528984213.db2.gz PNZYZOJCPNCFNA-LSDHHAIUSA-N 1 1 303.362 1.907 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253361 529344102 /nfs/dbraw/zinc/34/41/02/529344102.db2.gz JNZSTJUTPAXASJ-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736848357 598243475 /nfs/dbraw/zinc/24/34/75/598243475.db2.gz LWEXFPVSDIVDGU-SECBINFHSA-N 1 1 303.326 1.139 20 5 DDBDMO CC[N@@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000736537122 598298591 /nfs/dbraw/zinc/29/85/91/598298591.db2.gz RGGFZWFISXQVLN-UHFFFAOYSA-N 1 1 317.353 1.671 20 5 DDBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000820281955 606706311 /nfs/dbraw/zinc/70/63/11/606706311.db2.gz ZSYFWWKZHZLXJL-QMMMGPOBSA-N 1 1 318.341 1.065 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821266423 607160664 /nfs/dbraw/zinc/16/06/64/607160664.db2.gz CMFAQIRNQFHOPN-SECBINFHSA-N 1 1 318.341 1.066 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000101955517 696609548 /nfs/dbraw/zinc/60/95/48/696609548.db2.gz YIHPPYYJRDKPOK-UHFFFAOYSA-N 1 1 310.310 1.573 20 5 DDBDMO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000106857507 696628270 /nfs/dbraw/zinc/62/82/70/696628270.db2.gz AJDQAEOUNXVCRK-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000106857507 696628271 /nfs/dbraw/zinc/62/82/71/696628271.db2.gz AJDQAEOUNXVCRK-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776582115 698121223 /nfs/dbraw/zinc/12/12/23/698121223.db2.gz QNUIPDIIELLOCW-IAQYHMDHSA-N 1 1 322.361 1.902 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000776590557 698123549 /nfs/dbraw/zinc/12/35/49/698123549.db2.gz HXRIEMHAGDTDMN-CQSZACIVSA-N 1 1 308.334 1.467 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000776590557 698123551 /nfs/dbraw/zinc/12/35/51/698123551.db2.gz HXRIEMHAGDTDMN-CQSZACIVSA-N 1 1 308.334 1.467 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000750095182 700203483 /nfs/dbraw/zinc/20/34/83/700203483.db2.gz WHGSUHRSMZVIKW-KGLIPLIRSA-N 1 1 312.391 1.428 20 5 DDBDMO NC(=[NH+]OCCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000782333630 698710129 /nfs/dbraw/zinc/71/01/29/698710129.db2.gz ZXOXSAKUKFIRIS-UHFFFAOYSA-N 1 1 309.322 1.899 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525614 698734458 /nfs/dbraw/zinc/73/44/58/698734458.db2.gz ZHZBTKDULMWVKI-ONGXEEELSA-N 1 1 311.313 1.518 20 5 DDBDMO Cc1nn(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000782899245 698782722 /nfs/dbraw/zinc/78/27/22/698782722.db2.gz SNVONUHHIOPWHE-LBPRGKRZSA-N 1 1 323.397 1.242 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000783922773 698892281 /nfs/dbraw/zinc/89/22/81/698892281.db2.gz WCZYZGALKKWMBX-LLVKDONJSA-N 1 1 306.366 1.851 20 5 DDBDMO CON(C)C(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000788020836 699268212 /nfs/dbraw/zinc/26/82/12/699268212.db2.gz JAANOAQHOFDQNV-UHFFFAOYSA-N 1 1 307.350 1.969 20 5 DDBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000714244111 699269689 /nfs/dbraw/zinc/26/96/89/699269689.db2.gz YQJNGKUXPAYPLS-XYPYZODXSA-N 1 1 318.782 1.913 20 5 DDBDMO O=C(NC1CC1)c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000791052768 699608857 /nfs/dbraw/zinc/60/88/57/699608857.db2.gz CCLNRFJTVJBDDK-UHFFFAOYSA-N 1 1 303.362 1.820 20 5 DDBDMO O=C(NC1CC1)c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)cc1 ZINC000791052768 699608859 /nfs/dbraw/zinc/60/88/59/699608859.db2.gz CCLNRFJTVJBDDK-UHFFFAOYSA-N 1 1 303.362 1.820 20 5 DDBDMO O=C1O[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC000792282512 699689696 /nfs/dbraw/zinc/68/96/96/699689696.db2.gz UHEZRKUITUWBGV-ZDUSSCGKSA-N 1 1 317.345 1.834 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CCC2 ZINC000792282512 699689697 /nfs/dbraw/zinc/68/96/97/699689697.db2.gz UHEZRKUITUWBGV-ZDUSSCGKSA-N 1 1 317.345 1.834 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000793925198 699787337 /nfs/dbraw/zinc/78/73/37/699787337.db2.gz NISYKTZSQTWTST-OLZOCXBDSA-N 1 1 303.362 1.927 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@](C)(O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000794672392 699823391 /nfs/dbraw/zinc/82/33/91/699823391.db2.gz LXIGLNDTQPJGFQ-OAHLLOKOSA-N 1 1 319.365 1.842 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCCCO)CC1 ZINC000795102605 699845855 /nfs/dbraw/zinc/84/58/55/699845855.db2.gz YLCOVNQCXZMAHR-UHFFFAOYSA-N 1 1 311.386 1.014 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000743376180 699909959 /nfs/dbraw/zinc/90/99/59/699909959.db2.gz JURUDDJACITOQS-HNNXBMFYSA-N 1 1 315.377 1.955 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761077096 700840287 /nfs/dbraw/zinc/84/02/87/700840287.db2.gz MWUKMYPUXFOCSA-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762715299 700904128 /nfs/dbraw/zinc/90/41/28/700904128.db2.gz BCVCMXSAFDSHKQ-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000763888908 700952112 /nfs/dbraw/zinc/95/21/12/700952112.db2.gz SXROIFLSPMYZPG-CYBMUJFWSA-N 1 1 300.742 1.831 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000765454028 701013464 /nfs/dbraw/zinc/01/34/64/701013464.db2.gz XFKZMNSPNLDPCM-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000839603859 701751177 /nfs/dbraw/zinc/75/11/77/701751177.db2.gz HXHURRNBYZBJFZ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000839603859 701751181 /nfs/dbraw/zinc/75/11/81/701751181.db2.gz HXHURRNBYZBJFZ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO Cn1ncc2c1CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000839625065 701757690 /nfs/dbraw/zinc/75/76/90/701757690.db2.gz MFZPWDKSWYOQHO-INIZCTEOSA-N 1 1 316.361 1.810 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658330 701768821 /nfs/dbraw/zinc/76/88/21/701768821.db2.gz FAMHGQDRLDNQOP-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658330 701768827 /nfs/dbraw/zinc/76/88/27/701768827.db2.gz FAMHGQDRLDNQOP-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658330 701768833 /nfs/dbraw/zinc/76/88/33/701768833.db2.gz FAMHGQDRLDNQOP-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658330 701768839 /nfs/dbraw/zinc/76/88/39/701768839.db2.gz FAMHGQDRLDNQOP-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658330 701768844 /nfs/dbraw/zinc/76/88/44/701768844.db2.gz FAMHGQDRLDNQOP-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724442 701798180 /nfs/dbraw/zinc/79/81/80/701798180.db2.gz IDLDZDDNNXPULU-ZGKBOVNRSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724442 701798186 /nfs/dbraw/zinc/79/81/86/701798186.db2.gz IDLDZDDNNXPULU-ZGKBOVNRSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724442 701798190 /nfs/dbraw/zinc/79/81/90/701798190.db2.gz IDLDZDDNNXPULU-ZGKBOVNRSA-N 1 1 303.362 1.288 20 5 DDBDMO Cc1nn(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000840085368 701959018 /nfs/dbraw/zinc/95/90/18/701959018.db2.gz DATOHZGAJRIAAR-OAHLLOKOSA-N 1 1 307.398 1.783 20 5 DDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCOC1 ZINC000812298283 702141976 /nfs/dbraw/zinc/14/19/76/702141976.db2.gz LAWJCPUSNHPYFG-ZDUSSCGKSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCOC1 ZINC000812298283 702141977 /nfs/dbraw/zinc/14/19/77/702141977.db2.gz LAWJCPUSNHPYFG-ZDUSSCGKSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206840 706648413 /nfs/dbraw/zinc/64/84/13/706648413.db2.gz GDWRGYANPJTHCS-PWSUYJOCSA-N 1 1 304.350 1.224 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000816952047 702235564 /nfs/dbraw/zinc/23/55/64/702235564.db2.gz BEMWUXMHGRUYJB-ISVAXAHUSA-N 1 1 308.313 1.092 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000816954086 702237808 /nfs/dbraw/zinc/23/78/08/702237808.db2.gz STGALXSLNNAYNT-ZDSVCRJJSA-N 1 1 301.346 1.771 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c(Cl)c1 ZINC000879364760 706662768 /nfs/dbraw/zinc/66/27/68/706662768.db2.gz OUCQJFFJBRMKMI-SMDDNHRTSA-N 1 1 314.769 1.813 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c(Cl)c1 ZINC000879364760 706662769 /nfs/dbraw/zinc/66/27/69/706662769.db2.gz OUCQJFFJBRMKMI-SMDDNHRTSA-N 1 1 314.769 1.813 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869284009 702552856 /nfs/dbraw/zinc/55/28/56/702552856.db2.gz CCJDNDGOUJSJKJ-GFCCVEGCSA-N 1 1 309.341 1.877 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)s1 ZINC000843218850 702844129 /nfs/dbraw/zinc/84/41/29/702844129.db2.gz GROYKTKMHNUFRJ-MRVPVSSYSA-N 1 1 310.335 1.975 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1[NH3+] ZINC000843353687 702865104 /nfs/dbraw/zinc/86/51/04/702865104.db2.gz MXRDREDUEFAZAB-GWCFXTLKSA-N 1 1 324.356 1.732 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1[NH3+] ZINC000843353688 702865164 /nfs/dbraw/zinc/86/51/64/702865164.db2.gz MXRDREDUEFAZAB-GXFFZTMASA-N 1 1 324.356 1.732 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879561542 706718370 /nfs/dbraw/zinc/71/83/70/706718370.db2.gz QFXBGHGIWHEHGK-QWHCGFSZSA-N 1 1 321.402 1.879 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000851820594 703864350 /nfs/dbraw/zinc/86/43/50/703864350.db2.gz CLMZBFSKFFXULW-SECBINFHSA-N 1 1 319.408 1.419 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437437 704048401 /nfs/dbraw/zinc/04/84/01/704048401.db2.gz YCCMXDFGUWEPCD-ZIAGYGMSSA-N 1 1 321.333 1.155 20 5 DDBDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789977 704132997 /nfs/dbraw/zinc/13/29/97/704132997.db2.gz LFZVPOHFWALDKJ-RYUDHWBXSA-N 1 1 310.354 1.597 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c(C)c1[N+](=O)[O-] ZINC000853595342 704280232 /nfs/dbraw/zinc/28/02/32/704280232.db2.gz ZPOBQHYDZPPQHQ-CYBMUJFWSA-N 1 1 321.381 1.310 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c(C)c1[N+](=O)[O-] ZINC000853595342 704280235 /nfs/dbraw/zinc/28/02/35/704280235.db2.gz ZPOBQHYDZPPQHQ-CYBMUJFWSA-N 1 1 321.381 1.310 20 5 DDBDMO O=C1CC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000821354873 704395876 /nfs/dbraw/zinc/39/58/76/704395876.db2.gz LACXBCMCUHWBCU-AWEZNQCLSA-N 1 1 305.334 1.422 20 5 DDBDMO Nc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000854494869 704407592 /nfs/dbraw/zinc/40/75/92/704407592.db2.gz GWKWPFQOLCQFRS-UHFFFAOYSA-N 1 1 322.365 1.618 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823113407 705143721 /nfs/dbraw/zinc/14/37/21/705143721.db2.gz XIVHQOZSCMMKSN-GFCCVEGCSA-N 1 1 301.387 1.049 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823234629 705178939 /nfs/dbraw/zinc/17/89/39/705178939.db2.gz KLMKZSRVRAFIMC-QMMMGPOBSA-N 1 1 300.315 1.011 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823246 705182364 /nfs/dbraw/zinc/18/23/64/705182364.db2.gz GVSKQFHBATWMDZ-UONOGXRCSA-N 1 1 321.352 1.972 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834282 705190932 /nfs/dbraw/zinc/19/09/32/705190932.db2.gz QUSLQUKNTWVUOJ-GHMZBOCLSA-N 1 1 306.322 1.004 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848392 705202186 /nfs/dbraw/zinc/20/21/86/705202186.db2.gz SGBVGBZXBBYDNV-KBPBESRZSA-N 1 1 318.377 1.945 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339487 705433461 /nfs/dbraw/zinc/43/34/61/705433461.db2.gz CDWSWBMNCLSUOB-ABAIWWIYSA-N 1 1 308.334 1.861 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827338671 705979709 /nfs/dbraw/zinc/97/97/09/705979709.db2.gz PZSGNMIGLFJPAO-TZMCWYRMSA-N 1 1 318.377 1.559 20 5 DDBDMO Cn1cc(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000877605290 706157071 /nfs/dbraw/zinc/15/70/71/706157071.db2.gz YLBBDPWYPNTHRA-MRXNPFEDSA-N 1 1 316.361 1.594 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000877605290 706157073 /nfs/dbraw/zinc/15/70/73/706157073.db2.gz YLBBDPWYPNTHRA-MRXNPFEDSA-N 1 1 316.361 1.594 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000829261959 706310658 /nfs/dbraw/zinc/31/06/58/706310658.db2.gz QRXDTIZWXNGNJY-LSDHHAIUSA-N 1 1 324.402 1.836 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000829261959 706310660 /nfs/dbraw/zinc/31/06/60/706310660.db2.gz QRXDTIZWXNGNJY-LSDHHAIUSA-N 1 1 324.402 1.836 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000830110206 706456446 /nfs/dbraw/zinc/45/64/46/706456446.db2.gz BQSDJGYEUARYBU-JUDXGUMMSA-N 1 1 303.362 1.907 20 5 DDBDMO C[C@@H]1CN(C)C(=O)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000865710760 706503040 /nfs/dbraw/zinc/50/30/40/706503040.db2.gz CMVBIAYSOWPEDC-SNVBAGLBSA-N 1 1 300.318 1.810 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)C1 ZINC000865827387 706538310 /nfs/dbraw/zinc/53/83/10/706538310.db2.gz JUVAAIWUGLIJHB-HNNXBMFYSA-N 1 1 309.341 1.758 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146273 706891877 /nfs/dbraw/zinc/89/18/77/706891877.db2.gz STNSINISOXCPOA-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880146273 706891881 /nfs/dbraw/zinc/89/18/81/706891881.db2.gz STNSINISOXCPOA-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@H]2CCOC[C@H]2OC)cc1[N+](=O)[O-] ZINC000880425586 706970647 /nfs/dbraw/zinc/97/06/47/706970647.db2.gz GHAWSLYHBHVUPG-SWLSCSKDSA-N 1 1 310.350 1.839 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430912 706973368 /nfs/dbraw/zinc/97/33/68/706973368.db2.gz XJLQPXNPKBBGEA-KGLIPLIRSA-N 1 1 323.349 1.269 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430912 706973371 /nfs/dbraw/zinc/97/33/71/706973371.db2.gz XJLQPXNPKBBGEA-KGLIPLIRSA-N 1 1 323.349 1.269 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433021 706974305 /nfs/dbraw/zinc/97/43/05/706974305.db2.gz SSEABQYWVCCHAV-RBSFLKMASA-N 1 1 310.350 1.364 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1C[N@@H+](C)CCN1C ZINC000873051183 707709589 /nfs/dbraw/zinc/70/95/89/707709589.db2.gz DELOHTIHAZAUEN-AWEZNQCLSA-N 1 1 306.410 1.547 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1C[N@H+](C)CCN1C ZINC000873051183 707709591 /nfs/dbraw/zinc/70/95/91/707709591.db2.gz DELOHTIHAZAUEN-AWEZNQCLSA-N 1 1 306.410 1.547 20 5 DDBDMO CCOC(=O)c1ccnc(NC[C@H]2CC[N@H+]2CC)c1[N+](=O)[O-] ZINC000882960760 707874700 /nfs/dbraw/zinc/87/47/00/707874700.db2.gz UXXZTOMUQMLOHT-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839464100 708049319 /nfs/dbraw/zinc/04/93/19/708049319.db2.gz VKQYYTSTCAEOPK-RBSFLKMASA-N 1 1 305.378 1.851 20 5 DDBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000886433766 708760395 /nfs/dbraw/zinc/76/03/95/708760395.db2.gz UBURAXQXCCBFIJ-AWEZNQCLSA-N 1 1 304.350 1.765 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593161 708785485 /nfs/dbraw/zinc/78/54/85/708785485.db2.gz JQEBWJCOABWWHQ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593161 708785489 /nfs/dbraw/zinc/78/54/89/708785489.db2.gz JQEBWJCOABWWHQ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593161 708785492 /nfs/dbraw/zinc/78/54/92/708785492.db2.gz JQEBWJCOABWWHQ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593161 708785494 /nfs/dbraw/zinc/78/54/94/708785494.db2.gz JQEBWJCOABWWHQ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887939006 709173576 /nfs/dbraw/zinc/17/35/76/709173576.db2.gz KATXQGULLMOUPH-CJNGLKHVSA-N 1 1 303.362 1.927 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000889636894 709568303 /nfs/dbraw/zinc/56/83/03/709568303.db2.gz HOINAFBUONVIDC-OCCSQVGLSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000889636894 709568305 /nfs/dbraw/zinc/56/83/05/709568305.db2.gz HOINAFBUONVIDC-OCCSQVGLSA-N 1 1 321.377 1.661 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000928448988 713201522 /nfs/dbraw/zinc/20/15/22/713201522.db2.gz DGOWJJVFLKARCK-PSASIEDQSA-N 1 1 307.306 1.146 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928456456 713204992 /nfs/dbraw/zinc/20/49/92/713204992.db2.gz RPLYOWIDVQDINW-ZWNOBZJWSA-N 1 1 318.377 1.992 20 5 DDBDMO COc1c(O)ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000893669907 710770505 /nfs/dbraw/zinc/77/05/05/710770505.db2.gz XCLBNAQVRRRBRM-MNOVXSKESA-N 1 1 309.366 1.833 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000893941963 710894570 /nfs/dbraw/zinc/89/45/70/710894570.db2.gz XULUMRVBBJOEQD-SCZZXKLOSA-N 1 1 305.363 1.740 20 5 DDBDMO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)cc([N+](=O)[O-])c1 ZINC000903209002 711065948 /nfs/dbraw/zinc/06/59/48/711065948.db2.gz DDHWHSWYRYJWII-UWVGGRQHSA-N 1 1 311.338 1.662 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000894650559 711229128 /nfs/dbraw/zinc/22/91/28/711229128.db2.gz XTBYKBLQKMQASZ-NSHDSACASA-N 1 1 310.350 1.903 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000894782674 711269874 /nfs/dbraw/zinc/26/98/74/711269874.db2.gz XBPKKMKVJNQPOZ-LLVKDONJSA-N 1 1 320.324 1.183 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1CO ZINC000894890914 711310923 /nfs/dbraw/zinc/31/09/23/711310923.db2.gz WGCWYDAJMVJBKB-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894996607 711356530 /nfs/dbraw/zinc/35/65/30/711356530.db2.gz NLEWNSVRSLEUSB-JTQLQIEISA-N 1 1 316.317 1.923 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913533660 713247893 /nfs/dbraw/zinc/24/78/93/713247893.db2.gz ZQUGFNVDEVESJJ-AOOOYVTPSA-N 1 1 324.768 1.749 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913533660 713247895 /nfs/dbraw/zinc/24/78/95/713247895.db2.gz ZQUGFNVDEVESJJ-AOOOYVTPSA-N 1 1 324.768 1.749 20 5 DDBDMO C[C@@H]1[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738216 711591216 /nfs/dbraw/zinc/59/12/16/711591216.db2.gz IATWKYPQOBCONY-MWLCHTKSSA-N 1 1 313.379 1.503 20 5 DDBDMO C[C@@H]1[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895738216 711591217 /nfs/dbraw/zinc/59/12/17/711591217.db2.gz IATWKYPQOBCONY-MWLCHTKSSA-N 1 1 313.379 1.503 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896564697 711753471 /nfs/dbraw/zinc/75/34/71/711753471.db2.gz RMMPEWVQQXOFSJ-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO O=[N+]([O-])CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000905067016 711926391 /nfs/dbraw/zinc/92/63/91/711926391.db2.gz XNUKGEHNQZVRKH-UHFFFAOYSA-N 1 1 317.139 1.587 20 5 DDBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000930557249 713865799 /nfs/dbraw/zinc/86/57/99/713865799.db2.gz BPSHQKDAEFKXPC-JTQLQIEISA-N 1 1 307.119 1.488 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000930715231 713902260 /nfs/dbraw/zinc/90/22/60/713902260.db2.gz GQFJIGADVMUDIX-LLVKDONJSA-N 1 1 303.156 1.691 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H](O)c1cccc(Br)c1 ZINC000930715231 713902261 /nfs/dbraw/zinc/90/22/61/713902261.db2.gz GQFJIGADVMUDIX-LLVKDONJSA-N 1 1 303.156 1.691 20 5 DDBDMO CN(C[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000931979698 714224567 /nfs/dbraw/zinc/22/45/67/714224567.db2.gz YVQYWGJEVUSWDA-LBPRGKRZSA-N 1 1 301.387 1.985 20 5 DDBDMO CN(C[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000931979698 714224568 /nfs/dbraw/zinc/22/45/68/714224568.db2.gz YVQYWGJEVUSWDA-LBPRGKRZSA-N 1 1 301.387 1.985 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932436609 714330803 /nfs/dbraw/zinc/33/08/03/714330803.db2.gz YYOVMGAAMPFFPC-GFCCVEGCSA-N 1 1 323.397 1.479 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932436609 714330804 /nfs/dbraw/zinc/33/08/04/714330804.db2.gz YYOVMGAAMPFFPC-GFCCVEGCSA-N 1 1 323.397 1.479 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933902374 714696999 /nfs/dbraw/zinc/69/69/99/714696999.db2.gz ZNTPYTDCSFMBHB-KGLIPLIRSA-N 1 1 308.334 1.466 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924990253 714718276 /nfs/dbraw/zinc/71/82/76/714718276.db2.gz UYVVSLXYMFQWSO-OLZOCXBDSA-N 1 1 321.377 1.315 20 5 DDBDMO C/C(=C\C(=O)NCC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000924997446 714721045 /nfs/dbraw/zinc/72/10/45/714721045.db2.gz HNMSCKKMOPZTJK-VAWYXSNFSA-N 1 1 307.350 1.038 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934121148 714747409 /nfs/dbraw/zinc/74/74/09/714747409.db2.gz KOUPFODPQIFTKG-TZMCWYRMSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934121148 714747410 /nfs/dbraw/zinc/74/74/10/714747410.db2.gz KOUPFODPQIFTKG-TZMCWYRMSA-N 1 1 323.349 1.651 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570365 714854120 /nfs/dbraw/zinc/85/41/20/714854120.db2.gz DXABTQLKKXUEBN-GXFFZTMASA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570365 714854121 /nfs/dbraw/zinc/85/41/21/714854121.db2.gz DXABTQLKKXUEBN-GXFFZTMASA-N 1 1 311.313 1.328 20 5 DDBDMO C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246696 740129884 /nfs/dbraw/zinc/12/98/84/740129884.db2.gz LBZJLXMFZLQIGH-WDBKCZKBSA-N 1 1 307.350 1.227 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC001195305567 746572606 /nfs/dbraw/zinc/57/26/06/746572606.db2.gz DGUPGQGKQVRKTK-CYBMUJFWSA-N 1 1 319.361 1.573 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001197739736 747255498 /nfs/dbraw/zinc/25/54/98/747255498.db2.gz QIRRRIFZUGCELZ-GUIRCDHDSA-N 1 1 322.361 1.037 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC001198755072 747600186 /nfs/dbraw/zinc/60/01/86/747600186.db2.gz XGCAVCLQPDNHCO-ZIAGYGMSSA-N 1 1 324.377 1.416 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080693 751247115 /nfs/dbraw/zinc/24/71/15/751247115.db2.gz VGECPZAUWXQULS-BVUBDWEXSA-N 1 1 315.373 1.861 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018751 762198816 /nfs/dbraw/zinc/19/88/16/762198816.db2.gz DIQCMSLLZLLXRR-XBFCOCLRSA-N 1 1 308.382 1.411 20 5 DDBDMO CCc1ncnc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022086 762201035 /nfs/dbraw/zinc/20/10/35/762201035.db2.gz MUIQWQQEPFJXOS-CHWSQXEVSA-N 1 1 304.394 1.885 20 5 DDBDMO CN1CCN(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169026325 762203535 /nfs/dbraw/zinc/20/35/35/762203535.db2.gz KVKJFFNMTGJGMT-HOCLYGCPSA-N 1 1 310.442 1.144 20 5 DDBDMO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083337 760943499 /nfs/dbraw/zinc/94/34/99/760943499.db2.gz VRTBPFOWQGSUTP-SLBVQIDZSA-N 1 1 317.389 1.645 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083309 760943686 /nfs/dbraw/zinc/94/36/86/760943686.db2.gz URTPAOXKIXEMEF-LXTVHRRPSA-N 1 1 307.394 1.636 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170344618 766275982 /nfs/dbraw/zinc/27/59/82/766275982.db2.gz DIVCYWYZJWQDDV-GFCCVEGCSA-N 1 1 322.361 1.983 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170344618 766275988 /nfs/dbraw/zinc/27/59/88/766275988.db2.gz DIVCYWYZJWQDDV-GFCCVEGCSA-N 1 1 322.361 1.983 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CC2(CCC2)C1 ZINC001132587457 769008117 /nfs/dbraw/zinc/00/81/17/769008117.db2.gz GKWAWVRJXVZDGV-UHFFFAOYSA-N 1 1 321.381 1.114 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001134551206 771059363 /nfs/dbraw/zinc/05/93/63/771059363.db2.gz YMFJLRZHJZVLTJ-BZNIZROVSA-N 1 1 319.361 1.627 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136452931 771972085 /nfs/dbraw/zinc/97/20/85/771972085.db2.gz OAZRPFVUHBUKLF-NSHDSACASA-N 1 1 321.381 1.422 20 5 DDBDMO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147505915 773155635 /nfs/dbraw/zinc/15/56/35/773155635.db2.gz ANOBSUXMEZJRBT-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147505915 773155637 /nfs/dbraw/zinc/15/56/37/773155637.db2.gz ANOBSUXMEZJRBT-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147505915 773155640 /nfs/dbraw/zinc/15/56/40/773155640.db2.gz ANOBSUXMEZJRBT-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](O)[C@H](CO)C1)CC2 ZINC001172903303 776916173 /nfs/dbraw/zinc/91/61/73/776916173.db2.gz GNVMATFAQXNDJV-ZMSDIMECSA-N 1 1 320.389 1.517 20 5 DDBDMO C[C@H]1C(=O)NCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908135 776918445 /nfs/dbraw/zinc/91/84/45/776918445.db2.gz BCKJZTCGPQFMBT-FZMZJTMJSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@H]1C(=O)NCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908135 776918452 /nfs/dbraw/zinc/91/84/52/776918452.db2.gz BCKJZTCGPQFMBT-FZMZJTMJSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001173228942 777062493 /nfs/dbraw/zinc/06/24/93/777062493.db2.gz OEOMBOWKGFHWOD-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C/C=C/CO ZINC001179122374 779288713 /nfs/dbraw/zinc/28/87/13/779288713.db2.gz AFHDZCXFBREBOH-OWOJBTEDSA-N 1 1 301.140 1.995 20 5 DDBDMO COc1cc(CNC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1O ZINC001179730251 779470271 /nfs/dbraw/zinc/47/02/71/779470271.db2.gz TXQPIQNZXBBAJY-GFCCVEGCSA-N 1 1 309.366 1.883 20 5 DDBDMO COc1cc(CNC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1O ZINC001179730251 779470273 /nfs/dbraw/zinc/47/02/73/779470273.db2.gz TXQPIQNZXBBAJY-GFCCVEGCSA-N 1 1 309.366 1.883 20 5 DDBDMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001116150878 780479807 /nfs/dbraw/zinc/47/98/07/780479807.db2.gz ZMAWRYCLOVVTJG-CQSZACIVSA-N 1 1 322.340 1.813 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC001117243984 780693420 /nfs/dbraw/zinc/69/34/20/780693420.db2.gz NPOXBTOUWCEJDZ-AWEZNQCLSA-N 1 1 321.425 1.404 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001119305542 781399264 /nfs/dbraw/zinc/39/92/64/781399264.db2.gz CHTNRNDKEGTXGM-LBPRGKRZSA-N 1 1 321.381 1.090 20 5 DDBDMO O=C(NCC1([NH2+]Cc2ccns2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001268036311 839510585 /nfs/dbraw/zinc/51/05/85/839510585.db2.gz QHBCRDVINFQHRB-VXGBXAGGSA-N 1 1 324.406 1.327 20 5 DDBDMO Nc1ccc[nH+]c1N1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001154782428 861448445 /nfs/dbraw/zinc/44/84/45/861448445.db2.gz OHRCCVVSKPKVRJ-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001274014971 851849248 /nfs/dbraw/zinc/84/92/48/851849248.db2.gz FOCXNZDKFLYEJC-JGPFYOFESA-N 1 1 317.389 1.731 20 5 DDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001155892648 862536123 /nfs/dbraw/zinc/53/61/23/862536123.db2.gz KSKAISRNXXEDDA-TVQRCGJNSA-N 1 1 321.333 1.204 20 5 DDBDMO COCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001327982217 862610392 /nfs/dbraw/zinc/61/03/92/862610392.db2.gz NSXHAXAWFGLJFI-CHWSQXEVSA-N 1 1 313.398 1.049 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020489 859530113 /nfs/dbraw/zinc/53/01/13/859530113.db2.gz OOAJUAZQBRSMDJ-SLEUVZQESA-N 1 1 318.377 1.160 20 5 DDBDMO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001157767449 864117871 /nfs/dbraw/zinc/11/78/71/864117871.db2.gz NEVFFZFLULPZPX-HUUCEWRRSA-N 1 1 305.378 1.565 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001225483848 881863002 /nfs/dbraw/zinc/86/30/02/881863002.db2.gz KAXNZSKGNLBXLB-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO COc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001225769322 882020995 /nfs/dbraw/zinc/02/09/95/882020995.db2.gz JPDPSBNYCIKCPS-TURKWSHLSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001225769322 882021017 /nfs/dbraw/zinc/02/10/17/882021017.db2.gz JPDPSBNYCIKCPS-TURKWSHLSA-N 1 1 306.318 1.786 20 5 DDBDMO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001162811088 867844912 /nfs/dbraw/zinc/84/49/12/867844912.db2.gz ZELCFTRWQXUPDM-HZPDHXFCSA-N 1 1 319.405 1.721 20 5 DDBDMO COc1nc(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163357054 868390537 /nfs/dbraw/zinc/39/05/37/868390537.db2.gz ITRMAYHJJDYVSA-MNOVXSKESA-N 1 1 309.370 1.924 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226131089 882222073 /nfs/dbraw/zinc/22/20/73/882222073.db2.gz ACABFYANHQLLGH-SNVBAGLBSA-N 1 1 301.730 1.743 20 5 DDBDMO CN1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336763994 869130624 /nfs/dbraw/zinc/13/06/24/869130624.db2.gz WRWDKIAJGLWVAZ-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO Nc1cc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001339824729 870717923 /nfs/dbraw/zinc/71/79/23/870717923.db2.gz RKDIJPVPWZTSNG-ZYHUDNBSSA-N 1 1 309.395 1.564 20 5 DDBDMO O=C(NCCCCC[NH+]1CCNCC1)c1ccccc1[N+](=O)[O-] ZINC001341824327 871846076 /nfs/dbraw/zinc/84/60/76/871846076.db2.gz SBSGQXAJXAAWAT-UHFFFAOYSA-N 1 1 320.393 1.400 20 5 DDBDMO C[C@@H](C[N+](C)(C)C)Oc1ncnc2[nH]nc(Br)c21 ZINC001226667638 882575256 /nfs/dbraw/zinc/57/52/56/882575256.db2.gz BHXWDWOPAALPSM-ZETCQYMHSA-N 1 1 315.195 1.589 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001348145017 874377724 /nfs/dbraw/zinc/37/77/24/874377724.db2.gz JLMLDVBFJILHMN-NWDGAFQWSA-N 1 1 322.413 1.556 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001349709043 875318103 /nfs/dbraw/zinc/31/81/03/875318103.db2.gz FCPIGNUJJGWQTR-UHFFFAOYSA-N 1 1 311.313 1.624 20 5 DDBDMO CN1C(=O)C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001351401421 876230855 /nfs/dbraw/zinc/23/08/55/876230855.db2.gz VKFBOLUBSIDNLW-WCQYABFASA-N 1 1 315.732 1.617 20 5 DDBDMO COCC[NH+](CCOC)C1CN(c2sccc2[N+](=O)[O-])C1 ZINC001354226708 877821365 /nfs/dbraw/zinc/82/13/65/877821365.db2.gz QXWOHWWTWLHXTG-UHFFFAOYSA-N 1 1 315.395 1.440 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001288259396 912803991 /nfs/dbraw/zinc/80/39/91/912803991.db2.gz NKZNSRPBOVLQGQ-NSHDSACASA-N 1 1 322.321 1.635 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001288259396 912804006 /nfs/dbraw/zinc/80/40/06/912804006.db2.gz NKZNSRPBOVLQGQ-NSHDSACASA-N 1 1 322.321 1.635 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H]3C[C@@H](CO)C[C@@H]31)C2 ZINC001254594728 896521073 /nfs/dbraw/zinc/52/10/73/896521073.db2.gz SPQVGZUGZHGYPP-RGXXSHLXSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H]3C[C@@H](CO)C[C@@H]31)C2 ZINC001254594728 896521080 /nfs/dbraw/zinc/52/10/80/896521080.db2.gz SPQVGZUGZHGYPP-RGXXSHLXSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](n3cncn3)C1)C2 ZINC001254604341 896528936 /nfs/dbraw/zinc/52/89/36/896528936.db2.gz VUOYQSNAEDPGDC-CVEARBPZSA-N 1 1 313.361 1.991 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(NCCC[NH+]3CCOCC3)nc2c1 ZINC000278518092 214205977 /nfs/dbraw/zinc/20/59/77/214205977.db2.gz SCCRHBMYXJITME-UHFFFAOYSA-N 1 1 305.338 1.605 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@H](C)C1 ZINC000286555157 219050961 /nfs/dbraw/zinc/05/09/61/219050961.db2.gz AAIOGCAUKXOPLB-GFCCVEGCSA-N 1 1 320.393 1.827 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@H](C)C1 ZINC000286555157 219050962 /nfs/dbraw/zinc/05/09/62/219050962.db2.gz AAIOGCAUKXOPLB-GFCCVEGCSA-N 1 1 320.393 1.827 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249500632 282161402 /nfs/dbraw/zinc/16/14/02/282161402.db2.gz XCYWJIKYBZVUOK-NEPJUHHUSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249500632 282161404 /nfs/dbraw/zinc/16/14/04/282161404.db2.gz XCYWJIKYBZVUOK-NEPJUHHUSA-N 1 1 323.349 1.005 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452348654 231356129 /nfs/dbraw/zinc/35/61/29/231356129.db2.gz LIZUDGYTNRJYCZ-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO CN(C(=O)C[N@H+](C)CCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000088600660 185259460 /nfs/dbraw/zinc/25/94/60/185259460.db2.gz OMELCZZSLZWTHD-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000088600660 185259461 /nfs/dbraw/zinc/25/94/61/185259461.db2.gz OMELCZZSLZWTHD-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CN1C(=O)CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000090027068 185278861 /nfs/dbraw/zinc/27/88/61/185278861.db2.gz QOFXAVUUFUQTFK-NSHDSACASA-N 1 1 311.725 1.485 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303152 /nfs/dbraw/zinc/30/31/52/185303152.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303157 /nfs/dbraw/zinc/30/31/57/185303157.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303158 /nfs/dbraw/zinc/30/31/58/185303158.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 1 1 322.409 1.419 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000299458805 282255699 /nfs/dbraw/zinc/25/56/99/282255699.db2.gz WVOJEZDZGMZSFE-VIFPVBQESA-N 1 1 320.353 1.208 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000444853605 529916945 /nfs/dbraw/zinc/91/69/45/529916945.db2.gz VABQDNMPWWBVTF-UHFFFAOYSA-N 1 1 322.365 1.690 20 5 DDBDMO C[N@@H+](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294534640 529913014 /nfs/dbraw/zinc/91/30/14/529913014.db2.gz MGMJRSINSRIXJD-UHFFFAOYSA-N 1 1 319.361 1.768 20 5 DDBDMO CCOC(=O)c1cc(N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615494260 362306864 /nfs/dbraw/zinc/30/68/64/362306864.db2.gz JNFKRGRGCGEVHU-NSHDSACASA-N 1 1 307.350 1.912 20 5 DDBDMO Cn1cc[nH+]c1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000158558471 290744504 /nfs/dbraw/zinc/74/45/04/290744504.db2.gz ROOICEBXKLTWHF-UHFFFAOYSA-N 1 1 311.301 1.600 20 5 DDBDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342301326 282545210 /nfs/dbraw/zinc/54/52/10/282545210.db2.gz XWRPMPAFYVYFTC-LBPRGKRZSA-N 1 1 315.370 1.691 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272609434 210008635 /nfs/dbraw/zinc/00/86/35/210008635.db2.gz SDKVKSJVSJUMLD-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272606289 210004361 /nfs/dbraw/zinc/00/43/61/210004361.db2.gz JRFRMVBCCCPRSP-ZFWWWQNUSA-N 1 1 303.362 1.690 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)n1 ZINC000331210785 232795104 /nfs/dbraw/zinc/79/51/04/232795104.db2.gz RGGGKRSARPCJRU-SNVBAGLBSA-N 1 1 307.354 1.191 20 5 DDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279920725 215238674 /nfs/dbraw/zinc/23/86/74/215238674.db2.gz WFHAJKWTPJWENC-ZDUSSCGKSA-N 1 1 307.350 1.626 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287077953 219299667 /nfs/dbraw/zinc/29/96/67/219299667.db2.gz YDXYWHSLAPZUBM-UHFFFAOYSA-N 1 1 317.349 1.774 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000149096191 186047860 /nfs/dbraw/zinc/04/78/60/186047860.db2.gz IKSGSEVREVJKBC-UHFFFAOYSA-N 1 1 304.350 1.609 20 5 DDBDMO C[C@H]1OCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000182026239 199376405 /nfs/dbraw/zinc/37/64/05/199376405.db2.gz MCVMPSLBXVRTED-XQQFMLRXSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@H]1OCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000182026239 199376407 /nfs/dbraw/zinc/37/64/07/199376407.db2.gz MCVMPSLBXVRTED-XQQFMLRXSA-N 1 1 310.350 1.444 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000266863572 186363241 /nfs/dbraw/zinc/36/32/41/186363241.db2.gz LEUAZICMFWRSTO-GFCCVEGCSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000266863572 186363242 /nfs/dbraw/zinc/36/32/42/186363242.db2.gz LEUAZICMFWRSTO-GFCCVEGCSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nccs1 ZINC000564845213 304019047 /nfs/dbraw/zinc/01/90/47/304019047.db2.gz RYRXBHSDKKJLSJ-JTQLQIEISA-N 1 1 309.347 1.581 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280057662 215343689 /nfs/dbraw/zinc/34/36/89/215343689.db2.gz MLIVVGLHEIHZHX-HNNXBMFYSA-N 1 1 307.350 1.431 20 5 DDBDMO CC(C)(CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCOCC1 ZINC000015171453 352153312 /nfs/dbraw/zinc/15/33/12/352153312.db2.gz YMTOTPDDWAQCLM-UHFFFAOYSA-N 1 1 321.337 1.654 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)N(C)C ZINC000041894458 352317074 /nfs/dbraw/zinc/31/70/74/352317074.db2.gz KLGNBXYELUETCL-UHFFFAOYSA-N 1 1 322.365 1.252 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063466938 352912664 /nfs/dbraw/zinc/91/26/64/352912664.db2.gz MNOSXBWMRGYPDG-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000069529192 353165812 /nfs/dbraw/zinc/16/58/12/353165812.db2.gz JPVJIFFOVWMPKC-LBPRGKRZSA-N 1 1 307.350 1.435 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])n1C ZINC000074095401 353290330 /nfs/dbraw/zinc/29/03/30/353290330.db2.gz JWPAVJWHOKJFAU-UHFFFAOYSA-N 1 1 317.349 1.253 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174534623 198349141 /nfs/dbraw/zinc/34/91/41/198349141.db2.gz MUWRMJKOXFZQHR-AWEZNQCLSA-N 1 1 305.378 1.938 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000174668172 198367495 /nfs/dbraw/zinc/36/74/95/198367495.db2.gz LLLQXCLNPALXMR-UHFFFAOYSA-N 1 1 311.386 1.338 20 5 DDBDMO Cc1cnc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078664105 353527673 /nfs/dbraw/zinc/52/76/73/353527673.db2.gz IWLFBPLTDKCJQD-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000093280904 353892204 /nfs/dbraw/zinc/89/22/04/353892204.db2.gz OCSYQBJWULVUSF-LBPRGKRZSA-N 1 1 324.381 1.703 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038048 354223344 /nfs/dbraw/zinc/22/33/44/354223344.db2.gz HONAWWFSCWSRTM-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038048 354223348 /nfs/dbraw/zinc/22/33/48/354223348.db2.gz HONAWWFSCWSRTM-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO O=C1CC2(CN1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000267721427 354405097 /nfs/dbraw/zinc/40/50/97/354405097.db2.gz YSNJOWVQOKAHCR-UHFFFAOYSA-N 1 1 307.325 1.836 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000318130265 354514465 /nfs/dbraw/zinc/51/44/65/354514465.db2.gz AKDHMNMJYHVUKR-PHIMTYICSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000318130265 354514467 /nfs/dbraw/zinc/51/44/67/354514467.db2.gz AKDHMNMJYHVUKR-PHIMTYICSA-N 1 1 306.366 1.801 20 5 DDBDMO Nc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587178313 354881903 /nfs/dbraw/zinc/88/19/03/354881903.db2.gz FEQANMCDGPPXJP-SNVBAGLBSA-N 1 1 306.366 1.566 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588862584 354944236 /nfs/dbraw/zinc/94/42/36/354944236.db2.gz GNUWJJLRWMGECZ-ZIAGYGMSSA-N 1 1 319.361 1.184 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861875 354944283 /nfs/dbraw/zinc/94/42/83/354944283.db2.gz VTYRTBXSUPIVGC-VXGBXAGGSA-N 1 1 323.324 1.015 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590537465 355109637 /nfs/dbraw/zinc/10/96/37/355109637.db2.gz JMHBBNQJBQUVED-YPMHNXCESA-N 1 1 308.313 1.248 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442833 355096814 /nfs/dbraw/zinc/09/68/14/355096814.db2.gz HLYSCOOTNPVXSX-BXUZGUMPSA-N 1 1 304.350 1.169 20 5 DDBDMO CCN1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000590659566 355140145 /nfs/dbraw/zinc/14/01/45/355140145.db2.gz YHWITHFJWXSZJQ-NSHDSACASA-N 1 1 321.333 1.076 20 5 DDBDMO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591155720 355256544 /nfs/dbraw/zinc/25/65/44/355256544.db2.gz GDPCIDJXORKKPF-LLVKDONJSA-N 1 1 311.361 1.567 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC1CC1 ZINC000591577324 355329763 /nfs/dbraw/zinc/32/97/63/355329763.db2.gz PYJGXWIMAUFJFJ-LLVKDONJSA-N 1 1 306.366 1.654 20 5 DDBDMO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592828097 355704895 /nfs/dbraw/zinc/70/48/95/355704895.db2.gz BNJAXCRZURDKHR-NSHDSACASA-N 1 1 308.338 1.252 20 5 DDBDMO CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828684 355705299 /nfs/dbraw/zinc/70/52/99/355705299.db2.gz HXVCOXXEHNZCCA-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592828684 355705302 /nfs/dbraw/zinc/70/53/02/355705302.db2.gz HXVCOXXEHNZCCA-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000592999032 355765645 /nfs/dbraw/zinc/76/56/45/355765645.db2.gz JCBGQEODUPWHGJ-CYBMUJFWSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000592999032 355765647 /nfs/dbraw/zinc/76/56/47/355765647.db2.gz JCBGQEODUPWHGJ-CYBMUJFWSA-N 1 1 308.334 1.728 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593186965 355820086 /nfs/dbraw/zinc/82/00/86/355820086.db2.gz BMIJCOFGDXPBLU-JHJVBQTASA-N 1 1 321.377 1.913 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081527107 192283396 /nfs/dbraw/zinc/28/33/96/192283396.db2.gz GJYIRGOOYTWISN-LLVKDONJSA-N 1 1 322.365 1.156 20 5 DDBDMO COc1ccc(C[N@@H+](CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000595598488 356569442 /nfs/dbraw/zinc/56/94/42/356569442.db2.gz FDCVESROWLGZDA-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756460 356638348 /nfs/dbraw/zinc/63/83/48/356638348.db2.gz GGPQELHCEMFEBK-LRDDRELGSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835870 356671300 /nfs/dbraw/zinc/67/13/00/356671300.db2.gz WKBHXUJLEKVTOH-AGIUHOORSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595835870 356671304 /nfs/dbraw/zinc/67/13/04/356671304.db2.gz WKBHXUJLEKVTOH-AGIUHOORSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](C)[NH+]1CCOCC1 ZINC000596113919 356777023 /nfs/dbraw/zinc/77/70/23/356777023.db2.gz FBFHWMGQHMKLNZ-MNOVXSKESA-N 1 1 322.365 1.215 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596512164 356902044 /nfs/dbraw/zinc/90/20/44/356902044.db2.gz REJUUSVUHZHKCG-CYBMUJFWSA-N 1 1 314.345 1.927 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596512164 356902047 /nfs/dbraw/zinc/90/20/47/356902047.db2.gz REJUUSVUHZHKCG-CYBMUJFWSA-N 1 1 314.345 1.927 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597209391 357093570 /nfs/dbraw/zinc/09/35/70/357093570.db2.gz AWPOZDSTLFTEQI-XHDPSFHLSA-N 1 1 308.334 1.569 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000597209391 357093573 /nfs/dbraw/zinc/09/35/73/357093573.db2.gz AWPOZDSTLFTEQI-XHDPSFHLSA-N 1 1 308.334 1.569 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000597716645 357300077 /nfs/dbraw/zinc/30/00/77/357300077.db2.gz RAJXVZFYIVNQSF-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597926258 357385473 /nfs/dbraw/zinc/38/54/73/357385473.db2.gz WYGICCFJOROFKG-LLVKDONJSA-N 1 1 306.366 1.901 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598218488 357497391 /nfs/dbraw/zinc/49/73/91/357497391.db2.gz GFYIFECFMIPLJL-LBPRGKRZSA-N 1 1 321.381 1.315 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598341645 357544758 /nfs/dbraw/zinc/54/47/58/357544758.db2.gz FFOHHSVQAUMUMV-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000598649094 357670480 /nfs/dbraw/zinc/67/04/80/357670480.db2.gz VLVYQGHSLOKOAF-FZMZJTMJSA-N 1 1 322.361 1.832 20 5 DDBDMO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599102251 357816039 /nfs/dbraw/zinc/81/60/39/357816039.db2.gz QDNKQLDGJRHBKN-VHSXEESVSA-N 1 1 317.342 1.153 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599790197 358059445 /nfs/dbraw/zinc/05/94/45/358059445.db2.gz BEESUKBQMODZKE-GFCCVEGCSA-N 1 1 322.365 1.400 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCOCC2)C1 ZINC000600068378 358114104 /nfs/dbraw/zinc/11/41/04/358114104.db2.gz AKIJPCHYPCAUDU-UHFFFAOYSA-N 1 1 319.361 1.117 20 5 DDBDMO C[NH2+]C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000600822829 358325258 /nfs/dbraw/zinc/32/52/58/358325258.db2.gz BBWHVTYAGUATPM-UHFFFAOYSA-N 1 1 303.322 1.343 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600963538 358360007 /nfs/dbraw/zinc/36/00/07/358360007.db2.gz XDWYYSBFHYIRRN-UHFFFAOYSA-N 1 1 324.356 1.101 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000601120528 358410594 /nfs/dbraw/zinc/41/05/94/358410594.db2.gz IAUVEFSGSBPSCE-NSHDSACASA-N 1 1 310.329 1.287 20 5 DDBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC(=O)N1C ZINC000601162754 358428742 /nfs/dbraw/zinc/42/87/42/358428742.db2.gz WMBJDGMKSDZAOJ-JTQLQIEISA-N 1 1 300.318 1.810 20 5 DDBDMO CCN1C[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601183488 358437717 /nfs/dbraw/zinc/43/77/17/358437717.db2.gz CQCMWJGTLDTVQZ-LLVKDONJSA-N 1 1 314.345 1.845 20 5 DDBDMO CCC1([NH+](C)C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000601792284 358697316 /nfs/dbraw/zinc/69/73/16/358697316.db2.gz UWYPVDSJNGDFLM-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO O=C1[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601975500 358761914 /nfs/dbraw/zinc/76/19/14/358761914.db2.gz WJOAFGPUCVUYEV-TYNCELHUSA-N 1 1 317.345 1.278 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601976252 358762922 /nfs/dbraw/zinc/76/29/22/358762922.db2.gz OZUNMULPHBJFPN-BETUJISGSA-N 1 1 306.318 1.460 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195462 358876468 /nfs/dbraw/zinc/87/64/68/358876468.db2.gz LSUJJTKVKJUDQE-LRDDRELGSA-N 1 1 321.377 1.260 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000602786924 359191273 /nfs/dbraw/zinc/19/12/73/359191273.db2.gz ZUUQCNJJDZKQCK-HNNXBMFYSA-N 1 1 308.382 1.992 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000602795312 359197921 /nfs/dbraw/zinc/19/79/21/359197921.db2.gz HUHOLHMXOWNHJD-JSGCOSHPSA-N 1 1 318.381 1.879 20 5 DDBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000602798991 359200125 /nfs/dbraw/zinc/20/01/25/359200125.db2.gz IGPDPLNUQWHZPD-SECBINFHSA-N 1 1 304.306 1.908 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817622 359212721 /nfs/dbraw/zinc/21/27/21/359212721.db2.gz USJQETZMWDBZPX-OBJOEFQTSA-N 1 1 322.365 1.373 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817622 359212726 /nfs/dbraw/zinc/21/27/26/359212726.db2.gz USJQETZMWDBZPX-OBJOEFQTSA-N 1 1 322.365 1.373 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000602832560 359223962 /nfs/dbraw/zinc/22/39/62/359223962.db2.gz PXPBLJQCIWLKAN-ZDUSSCGKSA-N 1 1 318.381 1.687 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000602910675 359289345 /nfs/dbraw/zinc/28/93/45/359289345.db2.gz YSPOIBZRKHUVFW-HOCLYGCPSA-N 1 1 324.377 1.700 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000602910675 359289350 /nfs/dbraw/zinc/28/93/50/359289350.db2.gz YSPOIBZRKHUVFW-HOCLYGCPSA-N 1 1 324.377 1.700 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602953163 359318324 /nfs/dbraw/zinc/31/83/24/359318324.db2.gz PHZRKVNZCQLMME-NSHDSACASA-N 1 1 307.354 1.278 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000602950564 359316567 /nfs/dbraw/zinc/31/65/67/359316567.db2.gz FUZFZLMGKIXLHL-MNOVXSKESA-N 1 1 307.354 1.276 20 5 DDBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000603400424 359616682 /nfs/dbraw/zinc/61/66/82/359616682.db2.gz XBEXQESDPOCIIO-NWDGAFQWSA-N 1 1 307.354 1.296 20 5 DDBDMO COc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189368714 200388546 /nfs/dbraw/zinc/38/85/46/200388546.db2.gz HTDPDEGUVZAZMI-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189368714 200388548 /nfs/dbraw/zinc/38/85/48/200388548.db2.gz HTDPDEGUVZAZMI-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609357430 360300559 /nfs/dbraw/zinc/30/05/59/360300559.db2.gz INVWVGHFTKJLGN-JTQLQIEISA-N 1 1 321.333 1.395 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609550422 360322640 /nfs/dbraw/zinc/32/26/40/360322640.db2.gz WXZCQUDVIWTMOF-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846478 360354907 /nfs/dbraw/zinc/35/49/07/360354907.db2.gz RTHJJMLEUZXLAE-CMPLNLGQSA-N 1 1 319.365 1.143 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846478 360354912 /nfs/dbraw/zinc/35/49/12/360354912.db2.gz RTHJJMLEUZXLAE-CMPLNLGQSA-N 1 1 319.365 1.143 20 5 DDBDMO C[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271195 360405477 /nfs/dbraw/zinc/40/54/77/360405477.db2.gz JWMXABVBMAZRSW-AAEUAGOBSA-N 1 1 321.377 1.938 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000610570057 360472514 /nfs/dbraw/zinc/47/25/14/360472514.db2.gz SBAYFLBXGMFMGH-OAHLLOKOSA-N 1 1 319.361 1.532 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525671 360747073 /nfs/dbraw/zinc/74/70/73/360747073.db2.gz DFPKHRLMPACTER-GFCCVEGCSA-N 1 1 322.409 1.837 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611556115 360758808 /nfs/dbraw/zinc/75/88/08/360758808.db2.gz IEUMILWRLSRWIU-GFCCVEGCSA-N 1 1 323.349 1.141 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611556115 360758816 /nfs/dbraw/zinc/75/88/16/360758816.db2.gz IEUMILWRLSRWIU-GFCCVEGCSA-N 1 1 323.349 1.141 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000281389934 216267555 /nfs/dbraw/zinc/26/75/55/216267555.db2.gz GGBLTGDWLZNXDJ-GHMZBOCLSA-N 1 1 319.365 1.362 20 5 DDBDMO CC(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000193381473 201043422 /nfs/dbraw/zinc/04/34/22/201043422.db2.gz UBVAEJYFPLNVHO-INIZCTEOSA-N 1 1 321.425 1.861 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000281457142 216313959 /nfs/dbraw/zinc/31/39/59/216313959.db2.gz LJJRYQJYYGHFBW-LLVKDONJSA-N 1 1 304.354 1.991 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619434451 364006961 /nfs/dbraw/zinc/00/69/61/364006961.db2.gz OINCDVNJWHYZLW-HNNXBMFYSA-N 1 1 321.333 1.063 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000619694485 364117499 /nfs/dbraw/zinc/11/74/99/364117499.db2.gz QIICHKIHGZRFAQ-NSHDSACASA-N 1 1 312.395 1.742 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCCOC ZINC000275403633 212311614 /nfs/dbraw/zinc/31/16/14/212311614.db2.gz FGMBLQBADZLCKL-UHFFFAOYSA-N 1 1 312.366 1.824 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261718798 203101180 /nfs/dbraw/zinc/10/11/80/203101180.db2.gz FARWWXJNYMPSKJ-LBPRGKRZSA-N 1 1 301.306 1.105 20 5 DDBDMO NC(=O)C[N@@H+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000350090389 284146208 /nfs/dbraw/zinc/14/62/08/284146208.db2.gz DIBBQHGSXCIAOG-UHFFFAOYSA-N 1 1 323.397 1.549 20 5 DDBDMO CCOCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000093315162 193230788 /nfs/dbraw/zinc/23/07/88/193230788.db2.gz XYTNYROZMBIXPI-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO CCOCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000093315162 193230790 /nfs/dbraw/zinc/23/07/90/193230790.db2.gz XYTNYROZMBIXPI-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO NC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282802548 217260509 /nfs/dbraw/zinc/26/05/09/217260509.db2.gz XGPLYJLMHXXMFM-ZDUSSCGKSA-N 1 1 320.349 1.263 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266267806 205226472 /nfs/dbraw/zinc/22/64/72/205226472.db2.gz GJCSENHHZWKVJR-UHFFFAOYSA-N 1 1 317.349 1.352 20 5 DDBDMO CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000160006213 197379695 /nfs/dbraw/zinc/37/96/95/197379695.db2.gz XWVMXXSAOFAONE-LBPRGKRZSA-N 1 1 323.397 1.804 20 5 DDBDMO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000338357557 249924412 /nfs/dbraw/zinc/92/44/12/249924412.db2.gz MWCOWLOMGFTBSS-UHFFFAOYSA-N 1 1 318.337 1.427 20 5 DDBDMO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159440807 197354468 /nfs/dbraw/zinc/35/44/68/197354468.db2.gz LWQMDCPVJAABLM-IUCAKERBSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000159440807 197354470 /nfs/dbraw/zinc/35/44/70/197354470.db2.gz LWQMDCPVJAABLM-IUCAKERBSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCCC[C@H]1C ZINC000339003568 250242506 /nfs/dbraw/zinc/24/25/06/250242506.db2.gz OCJKYRYAEGHHQS-GHMZBOCLSA-N 1 1 321.381 1.764 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110136 207250174 /nfs/dbraw/zinc/25/01/74/207250174.db2.gz IESJCWOIFWESRD-GHMZBOCLSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110136 207250179 /nfs/dbraw/zinc/25/01/79/207250179.db2.gz IESJCWOIFWESRD-GHMZBOCLSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110136 207250182 /nfs/dbraw/zinc/25/01/82/207250182.db2.gz IESJCWOIFWESRD-GHMZBOCLSA-N 1 1 307.354 1.183 20 5 DDBDMO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000065424365 184342707 /nfs/dbraw/zinc/34/27/07/184342707.db2.gz MTEDCFXTRIGYGB-JSGCOSHPSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000065424365 184342709 /nfs/dbraw/zinc/34/27/09/184342709.db2.gz MTEDCFXTRIGYGB-JSGCOSHPSA-N 1 1 324.377 1.834 20 5 DDBDMO COCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000330703796 532967666 /nfs/dbraw/zinc/96/76/66/532967666.db2.gz JLUGTVUMVWKBQW-GFCCVEGCSA-N 1 1 311.357 1.886 20 5 DDBDMO C[N@@H+](CCC(=O)N1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352537796 285124342 /nfs/dbraw/zinc/12/43/42/285124342.db2.gz AGOBUXCQHJLRSH-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661576 285205441 /nfs/dbraw/zinc/20/54/41/285205441.db2.gz UHYODYGAFIUJQW-HONMWMINSA-N 1 1 307.350 1.767 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000422711130 533223145 /nfs/dbraw/zinc/22/31/45/533223145.db2.gz GRAUZRNZMPFUIJ-AAEUAGOBSA-N 1 1 309.366 1.460 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451539475 533415863 /nfs/dbraw/zinc/41/58/63/533415863.db2.gz FISFUGJRPFNBHY-IVMMDQJWSA-N 1 1 324.377 1.691 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452095064 533675216 /nfs/dbraw/zinc/67/52/16/533675216.db2.gz KOTBOXWRTBVDEL-MRVWCRGKSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000114368936 407563647 /nfs/dbraw/zinc/56/36/47/407563647.db2.gz VFUMZELNBUVUIK-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO COC(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664936 406884364 /nfs/dbraw/zinc/88/43/64/406884364.db2.gz POUOZFKHKUONEC-NSHDSACASA-N 1 1 308.338 1.429 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000045430537 407043841 /nfs/dbraw/zinc/04/38/41/407043841.db2.gz ZPLKUHZRWPDPKY-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC(C)(C)C ZINC000046056535 407052764 /nfs/dbraw/zinc/05/27/64/407052764.db2.gz QJVUAQQLZSWFFI-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC(C)(C)C ZINC000046056535 407052766 /nfs/dbraw/zinc/05/27/66/407052766.db2.gz QJVUAQQLZSWFFI-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108406007 407385767 /nfs/dbraw/zinc/38/57/67/407385767.db2.gz VKVPKPDLTCPHOU-VIFPVBQESA-N 1 1 319.408 1.276 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270983946 407451593 /nfs/dbraw/zinc/45/15/93/407451593.db2.gz XOXCUFLCPGPQHA-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270983946 407451596 /nfs/dbraw/zinc/45/15/96/407451596.db2.gz XOXCUFLCPGPQHA-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000171062727 407585010 /nfs/dbraw/zinc/58/50/10/407585010.db2.gz QZJOFKZFTHZQKH-LBPRGKRZSA-N 1 1 321.333 1.079 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000171062727 407585016 /nfs/dbraw/zinc/58/50/16/407585016.db2.gz QZJOFKZFTHZQKH-LBPRGKRZSA-N 1 1 321.333 1.079 20 5 DDBDMO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261704222 407587303 /nfs/dbraw/zinc/58/73/03/407587303.db2.gz OPAZUZZSJWZZHH-VIFPVBQESA-N 1 1 319.358 1.530 20 5 DDBDMO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266225988 407534837 /nfs/dbraw/zinc/53/48/37/407534837.db2.gz RODHGCRBOYKLJS-STQMWFEESA-N 1 1 308.382 1.580 20 5 DDBDMO COc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000171104466 407598809 /nfs/dbraw/zinc/59/88/09/407598809.db2.gz CFRIQMDDWBTZLV-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCOC1 ZINC000178778194 407598911 /nfs/dbraw/zinc/59/89/11/407598911.db2.gz CFNWXVIPWOQQDO-LBPRGKRZSA-N 1 1 319.361 1.452 20 5 DDBDMO CNC(=O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000178952374 407671902 /nfs/dbraw/zinc/67/19/02/407671902.db2.gz AKZPZNLWFLYAIN-CYBMUJFWSA-N 1 1 323.349 1.322 20 5 DDBDMO Cc1nccn1CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000130491253 407693591 /nfs/dbraw/zinc/69/35/91/407693591.db2.gz KFMWQFQMIZNZHO-UHFFFAOYSA-N 1 1 319.365 1.284 20 5 DDBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1O ZINC000186797471 407771724 /nfs/dbraw/zinc/77/17/24/407771724.db2.gz VGJPRKOGAFGXNM-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1O ZINC000186797471 407771731 /nfs/dbraw/zinc/77/17/31/407771731.db2.gz VGJPRKOGAFGXNM-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135532096 408028648 /nfs/dbraw/zinc/02/86/48/408028648.db2.gz JASJCATXCOAPOF-GFCCVEGCSA-N 1 1 321.381 1.343 20 5 DDBDMO CC[C@@]1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135583242 408035133 /nfs/dbraw/zinc/03/51/33/408035133.db2.gz PQJGGUFQXFTFKV-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135583242 408035137 /nfs/dbraw/zinc/03/51/37/408035137.db2.gz PQJGGUFQXFTFKV-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000181784949 408039692 /nfs/dbraw/zinc/03/96/92/408039692.db2.gz WIOHNPUZSLYGIJ-JTQLQIEISA-N 1 1 300.318 1.940 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOCC(F)F)C2)nc1 ZINC000189677571 408076615 /nfs/dbraw/zinc/07/66/15/408076615.db2.gz VBZSFNHBNMBFGS-JTQLQIEISA-N 1 1 316.308 1.758 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000175211416 408081243 /nfs/dbraw/zinc/08/12/43/408081243.db2.gz GQXKKMVTSFDMAP-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000175242729 408085858 /nfs/dbraw/zinc/08/58/58/408085858.db2.gz CAZGNSMIEPJELL-LLVKDONJSA-N 1 1 307.350 1.691 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242512 408103885 /nfs/dbraw/zinc/10/38/85/408103885.db2.gz LTJHUTQBLAQSHH-MCIONIFRSA-N 1 1 324.377 1.570 20 5 DDBDMO CN(C(=O)C[N@@H+](CC(C)(C)O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000189907761 408134023 /nfs/dbraw/zinc/13/40/23/408134023.db2.gz ALYDQVDWZCRYHB-UHFFFAOYSA-N 1 1 321.377 1.793 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246122138 408147762 /nfs/dbraw/zinc/14/77/62/408147762.db2.gz NMZBZPAPDWCOTL-HIFRSBDPSA-N 1 1 310.350 1.445 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000155871981 408222063 /nfs/dbraw/zinc/22/20/63/408222063.db2.gz OPVQBRCNMSGQIX-LBPRGKRZSA-N 1 1 313.379 1.027 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000155871981 408222066 /nfs/dbraw/zinc/22/20/66/408222066.db2.gz OPVQBRCNMSGQIX-LBPRGKRZSA-N 1 1 313.379 1.027 20 5 DDBDMO CC[NH+](CC)[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481613 408323820 /nfs/dbraw/zinc/32/38/20/408323820.db2.gz KITZUAOVXDLMHN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176070131 408279632 /nfs/dbraw/zinc/27/96/32/408279632.db2.gz UPAZYYONJZVBIR-JTQLQIEISA-N 1 1 317.349 1.748 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000269450451 408312074 /nfs/dbraw/zinc/31/20/74/408312074.db2.gz GENMOQIUBKNRMF-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246820888 408347979 /nfs/dbraw/zinc/34/79/79/408347979.db2.gz SNABEVJSJGQKDA-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246820888 408347983 /nfs/dbraw/zinc/34/79/83/408347983.db2.gz SNABEVJSJGQKDA-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000183583205 408446961 /nfs/dbraw/zinc/44/69/61/408446961.db2.gz DCVYAGLEZXIJLE-LLVKDONJSA-N 1 1 323.353 1.080 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000264483719 408510471 /nfs/dbraw/zinc/51/04/71/408510471.db2.gz IFZBUTRPJZUCBB-GFCCVEGCSA-N 1 1 307.350 1.354 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264538368 408526841 /nfs/dbraw/zinc/52/68/41/408526841.db2.gz AGVMVPBCJHUVEQ-LBPRGKRZSA-N 1 1 308.338 1.437 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183647007 408461927 /nfs/dbraw/zinc/46/19/27/408461927.db2.gz JZYVFDJWOQDEMM-LLVKDONJSA-N 1 1 307.354 1.795 20 5 DDBDMO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274828896 408548359 /nfs/dbraw/zinc/54/83/59/408548359.db2.gz YZLFSKDVDAYPLL-GFCCVEGCSA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274828896 408548362 /nfs/dbraw/zinc/54/83/62/408548362.db2.gz YZLFSKDVDAYPLL-GFCCVEGCSA-N 1 1 307.350 1.903 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177269597 408567507 /nfs/dbraw/zinc/56/75/07/408567507.db2.gz KBFUXBNLXVTJJU-YPMHNXCESA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177269597 408567510 /nfs/dbraw/zinc/56/75/10/408567510.db2.gz KBFUXBNLXVTJJU-YPMHNXCESA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177269597 408567513 /nfs/dbraw/zinc/56/75/13/408567513.db2.gz KBFUXBNLXVTJJU-YPMHNXCESA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248609008 408597015 /nfs/dbraw/zinc/59/70/15/408597015.db2.gz PTKVMDNXRUNWII-UKRRQHHQSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000248609008 408597019 /nfs/dbraw/zinc/59/70/19/408597019.db2.gz PTKVMDNXRUNWII-UKRRQHHQSA-N 1 1 307.350 1.358 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178343327 408808364 /nfs/dbraw/zinc/80/83/64/408808364.db2.gz LSBBIXZBEFWHTH-JSGCOSHPSA-N 1 1 310.350 1.303 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177983921 408750858 /nfs/dbraw/zinc/75/08/58/408750858.db2.gz RPJIKRUQQIEKCB-ZUZCIYMTSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC000177983921 408750862 /nfs/dbraw/zinc/75/08/62/408750862.db2.gz RPJIKRUQQIEKCB-ZUZCIYMTSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177989383 408751991 /nfs/dbraw/zinc/75/19/91/408751991.db2.gz MASKDINFEUFIKL-MEBBXXQBSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177989383 408751998 /nfs/dbraw/zinc/75/19/98/408751998.db2.gz MASKDINFEUFIKL-MEBBXXQBSA-N 1 1 323.349 1.387 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000265733945 408761864 /nfs/dbraw/zinc/76/18/64/408761864.db2.gz CSVOSSRZAIGDHT-UHFFFAOYSA-N 1 1 321.362 1.352 20 5 DDBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@H](C)C1 ZINC000249890884 408770126 /nfs/dbraw/zinc/77/01/26/408770126.db2.gz STEKDNZZAHAXKO-NWDGAFQWSA-N 1 1 309.370 1.028 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000280914791 408858049 /nfs/dbraw/zinc/85/80/49/408858049.db2.gz FGIKPOUAUZGSDP-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000276841346 408901517 /nfs/dbraw/zinc/90/15/17/408901517.db2.gz PVPAXWJNJPPOQG-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277413196 408936036 /nfs/dbraw/zinc/93/60/36/408936036.db2.gz CIPCRYDABPEHCH-ZDUSSCGKSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193637237 163262395 /nfs/dbraw/zinc/26/23/95/163262395.db2.gz ATNUHCIATGAWLG-UPJWGTAASA-N 1 1 318.377 1.415 20 5 DDBDMO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000277617360 408978594 /nfs/dbraw/zinc/97/85/94/408978594.db2.gz ADNFXSRZVMCBTR-HNNXBMFYSA-N 1 1 324.381 1.989 20 5 DDBDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000277617360 408978597 /nfs/dbraw/zinc/97/85/97/408978597.db2.gz ADNFXSRZVMCBTR-HNNXBMFYSA-N 1 1 324.381 1.989 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277696435 408994703 /nfs/dbraw/zinc/99/47/03/408994703.db2.gz HEWLMQQTJSFDLP-UHFFFAOYSA-N 1 1 305.294 1.020 20 5 DDBDMO COC(=O)[C@]1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282261603 409021335 /nfs/dbraw/zinc/02/13/35/409021335.db2.gz CVQMMJVAEOFLSY-DIOULYMOSA-N 1 1 322.361 1.759 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000277908380 409032532 /nfs/dbraw/zinc/03/25/32/409032532.db2.gz HQDAPTGWJPZLKQ-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000293237217 409072868 /nfs/dbraw/zinc/07/28/68/409072868.db2.gz SOXGYDWWQSZGNJ-AWEZNQCLSA-N 1 1 309.366 1.503 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000293269502 409079407 /nfs/dbraw/zinc/07/94/07/409079407.db2.gz UVCJSIJUAHKHBZ-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000293269502 409079410 /nfs/dbraw/zinc/07/94/10/409079410.db2.gz UVCJSIJUAHKHBZ-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000283104571 409089131 /nfs/dbraw/zinc/08/91/31/409089131.db2.gz WUOBBMLRHXXXIJ-LBPRGKRZSA-N 1 1 307.350 1.262 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000283104571 409089135 /nfs/dbraw/zinc/08/91/35/409089135.db2.gz WUOBBMLRHXXXIJ-LBPRGKRZSA-N 1 1 307.350 1.262 20 5 DDBDMO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293786034 409179399 /nfs/dbraw/zinc/17/93/99/409179399.db2.gz WMCLEHXZQJQFAY-NSHDSACASA-N 1 1 321.381 1.275 20 5 DDBDMO COCCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000289125573 409222465 /nfs/dbraw/zinc/22/24/65/409222465.db2.gz XJYPYDMFDYMPAS-UHFFFAOYSA-N 1 1 309.322 1.831 20 5 DDBDMO COCCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000289125573 409222467 /nfs/dbraw/zinc/22/24/67/409222467.db2.gz XJYPYDMFDYMPAS-UHFFFAOYSA-N 1 1 309.322 1.831 20 5 DDBDMO CN(CC(=O)NCC[N@@H+]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000280311969 409289660 /nfs/dbraw/zinc/28/96/60/409289660.db2.gz SYOVTIJTYHFNQX-UHFFFAOYSA-N 1 1 318.377 1.409 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280705258 409417515 /nfs/dbraw/zinc/41/75/15/409417515.db2.gz ISWGOMXRJUYGSB-HNNXBMFYSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285393356 409426373 /nfs/dbraw/zinc/42/63/73/409426373.db2.gz XGDODKWQKXMXBR-UONOGXRCSA-N 1 1 319.361 1.448 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295336939 409440839 /nfs/dbraw/zinc/44/08/39/409440839.db2.gz MJQDJEDTFBHFBF-JTQLQIEISA-N 1 1 320.349 1.252 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549123 164051066 /nfs/dbraw/zinc/05/10/66/164051066.db2.gz YAEUHGAPYHMVND-GHMZBOCLSA-N 1 1 322.340 1.673 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000408223283 164266852 /nfs/dbraw/zinc/26/68/52/164266852.db2.gz TZDJMLWCGKDESQ-UHFFFAOYSA-N 1 1 307.354 1.029 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408462546 164338581 /nfs/dbraw/zinc/33/85/81/164338581.db2.gz AAMDYPAXLPYZLH-LLVKDONJSA-N 1 1 324.356 1.818 20 5 DDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798482 409618323 /nfs/dbraw/zinc/61/83/23/409618323.db2.gz GLOLHYMIOYYQEO-LKFCYVNXSA-N 1 1 305.334 1.513 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798482 409618324 /nfs/dbraw/zinc/61/83/24/409618324.db2.gz GLOLHYMIOYYQEO-LKFCYVNXSA-N 1 1 305.334 1.513 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432671 409625828 /nfs/dbraw/zinc/62/58/28/409625828.db2.gz PMDHQMOOWZFLDO-FZMZJTMJSA-N 1 1 305.334 1.014 20 5 DDBDMO O=C1[C@@H]([N@H+]2CC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432671 409625835 /nfs/dbraw/zinc/62/58/35/409625835.db2.gz PMDHQMOOWZFLDO-FZMZJTMJSA-N 1 1 305.334 1.014 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356867443 409677394 /nfs/dbraw/zinc/67/73/94/409677394.db2.gz YRBZYJRZROCSEU-QWRGUYRKSA-N 1 1 309.341 1.827 20 5 DDBDMO Cc1ccn(Cc2[nH+]ccn2CC(F)(F)F)c(=O)c1[N+](=O)[O-] ZINC000349147604 409718088 /nfs/dbraw/zinc/71/80/88/409718088.db2.gz ZYAKMWIHJHKLKC-UHFFFAOYSA-N 1 1 316.239 1.872 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342721282 409844603 /nfs/dbraw/zinc/84/46/03/409844603.db2.gz HQPOPUKCGSUXJQ-LBPRGKRZSA-N 1 1 313.304 1.498 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000332027118 409814523 /nfs/dbraw/zinc/81/45/23/409814523.db2.gz UHCQXTOZBHWWMH-VXGBXAGGSA-N 1 1 321.381 1.510 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000332027118 409814528 /nfs/dbraw/zinc/81/45/28/409814528.db2.gz UHCQXTOZBHWWMH-VXGBXAGGSA-N 1 1 321.381 1.510 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354523325 409917960 /nfs/dbraw/zinc/91/79/60/409917960.db2.gz WTSXUCGTYYGEMC-ZDUSSCGKSA-N 1 1 317.349 2.284 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000317099095 409861708 /nfs/dbraw/zinc/86/17/08/409861708.db2.gz BIAQNKFBILJHQE-JQWIXIFHSA-N 1 1 306.366 1.849 20 5 DDBDMO C[N@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000297711004 409967978 /nfs/dbraw/zinc/96/79/78/409967978.db2.gz BIPGGAYTFCACRJ-UHFFFAOYSA-N 1 1 324.356 1.700 20 5 DDBDMO CN1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000297711004 409967983 /nfs/dbraw/zinc/96/79/83/409967983.db2.gz BIPGGAYTFCACRJ-UHFFFAOYSA-N 1 1 324.356 1.700 20 5 DDBDMO CN1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000297711004 409967989 /nfs/dbraw/zinc/96/79/89/409967989.db2.gz BIPGGAYTFCACRJ-UHFFFAOYSA-N 1 1 324.356 1.700 20 5 DDBDMO CC(C)COCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298008175 410076711 /nfs/dbraw/zinc/07/67/11/410076711.db2.gz BXWMSQLACVNFAP-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000343066371 410115324 /nfs/dbraw/zinc/11/53/24/410115324.db2.gz FKWORRPFEYYIDH-NWDGAFQWSA-N 1 1 309.370 1.170 20 5 DDBDMO CC[NH+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000357700784 410195266 /nfs/dbraw/zinc/19/52/66/410195266.db2.gz LQLLXWDRUQVOJR-UHFFFAOYSA-N 1 1 321.377 1.836 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000351779757 410228353 /nfs/dbraw/zinc/22/83/53/410228353.db2.gz KJRSNMHUEZBJHK-BXKDBHETSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000351779757 410228361 /nfs/dbraw/zinc/22/83/61/410228361.db2.gz KJRSNMHUEZBJHK-BXKDBHETSA-N 1 1 304.306 1.457 20 5 DDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1[N+](=O)[O-] ZINC000355195843 410374156 /nfs/dbraw/zinc/37/41/56/410374156.db2.gz XSJMRQWYHIJFDK-LBPRGKRZSA-N 1 1 306.366 1.961 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1[N+](=O)[O-] ZINC000355195843 410374160 /nfs/dbraw/zinc/37/41/60/410374160.db2.gz XSJMRQWYHIJFDK-LBPRGKRZSA-N 1 1 306.366 1.961 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343462144 410469883 /nfs/dbraw/zinc/46/98/83/410469883.db2.gz SVSKYJSTVGPQLM-ZYHUDNBSSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339748651 410433859 /nfs/dbraw/zinc/43/38/59/410433859.db2.gz OXUYPDYUPFHPRQ-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000339748651 410433864 /nfs/dbraw/zinc/43/38/64/410433864.db2.gz OXUYPDYUPFHPRQ-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO O=C([C@H]1CC[NH2+]CC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000343417085 410435464 /nfs/dbraw/zinc/43/54/64/410435464.db2.gz NGEUYFNLBXNWKV-LLVKDONJSA-N 1 1 311.288 1.729 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000355332113 410447101 /nfs/dbraw/zinc/44/71/01/410447101.db2.gz FXGCQWULLLEQNN-UHFFFAOYSA-N 1 1 318.377 1.775 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000355595390 410600199 /nfs/dbraw/zinc/60/01/99/410600199.db2.gz HAKOXHIFFBCXNF-LBPRGKRZSA-N 1 1 324.333 1.103 20 5 DDBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301120895 410661541 /nfs/dbraw/zinc/66/15/41/410661541.db2.gz NOBASKIFASLQQS-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000301095795 410655207 /nfs/dbraw/zinc/65/52/07/410655207.db2.gz NKNCEVFAGDVEPZ-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430494 410720613 /nfs/dbraw/zinc/72/06/13/410720613.db2.gz QEUQLFADGMXJQH-DGCLKSJQSA-N 1 1 320.393 1.873 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330571993 410788292 /nfs/dbraw/zinc/78/82/92/410788292.db2.gz DKAINMBLKOZFIB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330571993 410788295 /nfs/dbraw/zinc/78/82/95/410788295.db2.gz DKAINMBLKOZFIB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000330585674 410800077 /nfs/dbraw/zinc/80/00/77/410800077.db2.gz LMJAWGNPQMDSOE-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330585674 410800084 /nfs/dbraw/zinc/80/00/84/410800084.db2.gz LMJAWGNPQMDSOE-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330585674 410800091 /nfs/dbraw/zinc/80/00/91/410800091.db2.gz LMJAWGNPQMDSOE-VNHYZAJKSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330659111 410856936 /nfs/dbraw/zinc/85/69/36/410856936.db2.gz AEWXKEWCSPLNEZ-NSHDSACASA-N 1 1 309.391 1.849 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330659111 410856943 /nfs/dbraw/zinc/85/69/43/410856943.db2.gz AEWXKEWCSPLNEZ-NSHDSACASA-N 1 1 309.391 1.849 20 5 DDBDMO CCCNC(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331059953 410925024 /nfs/dbraw/zinc/92/50/24/410925024.db2.gz NBZDFUVJPPBUMZ-UHFFFAOYSA-N 1 1 309.370 1.067 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341187161 410925283 /nfs/dbraw/zinc/92/52/83/410925283.db2.gz CGVZSRHUSOHKHF-TZMCWYRMSA-N 1 1 320.393 1.919 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1C ZINC000331135295 410969362 /nfs/dbraw/zinc/96/93/62/410969362.db2.gz KHKZBGYDEBFGLC-GFCCVEGCSA-N 1 1 308.338 1.108 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129186877 196027635 /nfs/dbraw/zinc/02/76/35/196027635.db2.gz ZXCFQFNQFWDPJU-JSGCOSHPSA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000419336575 226123070 /nfs/dbraw/zinc/12/30/70/226123070.db2.gz XHRUDGNGMWGPDC-UONOGXRCSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419336575 226123073 /nfs/dbraw/zinc/12/30/73/226123073.db2.gz XHRUDGNGMWGPDC-UONOGXRCSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419336575 226123076 /nfs/dbraw/zinc/12/30/76/226123076.db2.gz XHRUDGNGMWGPDC-UONOGXRCSA-N 1 1 307.394 1.524 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373809447 418462546 /nfs/dbraw/zinc/46/25/46/418462546.db2.gz JENQDCOINKARCE-HNNXBMFYSA-N 1 1 324.381 1.451 20 5 DDBDMO C[N@@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000193171132 418529124 /nfs/dbraw/zinc/52/91/24/418529124.db2.gz UJWDGDVTOJVKJJ-UHFFFAOYSA-N 1 1 323.397 1.562 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000361056610 418574290 /nfs/dbraw/zinc/57/42/90/418574290.db2.gz VWBGHQJTHYBLOH-UHFFFAOYSA-N 1 1 300.318 1.957 20 5 DDBDMO Cc1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1[N+](=O)[O-] ZINC000361056610 418574292 /nfs/dbraw/zinc/57/42/92/418574292.db2.gz VWBGHQJTHYBLOH-UHFFFAOYSA-N 1 1 300.318 1.957 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997255 418563008 /nfs/dbraw/zinc/56/30/08/418563008.db2.gz FUHRKIWPZCWMME-LSDHHAIUSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290981185 222046592 /nfs/dbraw/zinc/04/65/92/222046592.db2.gz RPRJJRIOORPPOB-UHFFFAOYSA-N 1 1 315.333 1.847 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375057014 418597425 /nfs/dbraw/zinc/59/74/25/418597425.db2.gz DPTNQYBJAPRMEX-WFASDCNBSA-N 1 1 319.361 1.526 20 5 DDBDMO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291348784 222329869 /nfs/dbraw/zinc/32/98/69/222329869.db2.gz XQHMJHLNLMXWPD-GXTWGEPZSA-N 1 1 312.366 1.691 20 5 DDBDMO Nc1ccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834582 418643558 /nfs/dbraw/zinc/64/35/58/418643558.db2.gz GKDITEHNWZUOBW-OLZOCXBDSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834582 418643560 /nfs/dbraw/zinc/64/35/60/418643560.db2.gz GKDITEHNWZUOBW-OLZOCXBDSA-N 1 1 306.366 1.842 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361408565 418645889 /nfs/dbraw/zinc/64/58/89/418645889.db2.gz OOKVKJNNYSBSBJ-LBPRGKRZSA-N 1 1 318.333 1.990 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361408565 418645892 /nfs/dbraw/zinc/64/58/92/418645892.db2.gz OOKVKJNNYSBSBJ-LBPRGKRZSA-N 1 1 318.333 1.990 20 5 DDBDMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000361371510 418638822 /nfs/dbraw/zinc/63/88/22/418638822.db2.gz GZVOSANBESOCKJ-GFCCVEGCSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000361371510 418638825 /nfs/dbraw/zinc/63/88/25/418638825.db2.gz GZVOSANBESOCKJ-GFCCVEGCSA-N 1 1 304.306 1.866 20 5 DDBDMO COCCC[N@@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347414855 418639046 /nfs/dbraw/zinc/63/90/46/418639046.db2.gz MOQQCRRIRQWUAM-UHFFFAOYSA-N 1 1 319.365 1.918 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000367988161 418670425 /nfs/dbraw/zinc/67/04/25/418670425.db2.gz JAJTUWBXYRKKAY-VIFPVBQESA-N 1 1 311.313 1.440 20 5 DDBDMO Cn1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707616 418699841 /nfs/dbraw/zinc/69/98/41/418699841.db2.gz WMAVSOZLDNEYQR-VXGBXAGGSA-N 1 1 306.366 1.490 20 5 DDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000421000183 419431234 /nfs/dbraw/zinc/43/12/34/419431234.db2.gz KANZSJACSKSMHN-HUUCEWRRSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000183 419431244 /nfs/dbraw/zinc/43/12/44/419431244.db2.gz KANZSJACSKSMHN-HUUCEWRRSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000183 419431253 /nfs/dbraw/zinc/43/12/53/419431253.db2.gz KANZSJACSKSMHN-HUUCEWRRSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412087447 419642564 /nfs/dbraw/zinc/64/25/64/419642564.db2.gz GUPYBPWTGXVLJB-TUKIKUTGSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412087447 419642569 /nfs/dbraw/zinc/64/25/69/419642569.db2.gz GUPYBPWTGXVLJB-TUKIKUTGSA-N 1 1 303.362 1.861 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000421859333 419751532 /nfs/dbraw/zinc/75/15/32/419751532.db2.gz FGKKSRCSAMPTOK-ZDUSSCGKSA-N 1 1 321.377 1.350 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1CCO ZINC000413254913 419775729 /nfs/dbraw/zinc/77/57/29/419775729.db2.gz ZVSUSFHVUSGVAJ-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000299458801 229128458 /nfs/dbraw/zinc/12/84/58/229128458.db2.gz WVOJEZDZGMZSFE-SECBINFHSA-N 1 1 320.353 1.208 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CNCCO2)o1 ZINC000415095185 419940222 /nfs/dbraw/zinc/94/02/22/419940222.db2.gz LRVNQKZYXDLGFH-CYBMUJFWSA-N 1 1 317.345 1.933 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416296641 420313851 /nfs/dbraw/zinc/31/38/51/420313851.db2.gz OHTONMABVRRVDZ-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416296641 420313854 /nfs/dbraw/zinc/31/38/54/420313854.db2.gz OHTONMABVRRVDZ-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439107430 420480726 /nfs/dbraw/zinc/48/07/26/420480726.db2.gz LVLIBERHULWRML-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439162718 420482971 /nfs/dbraw/zinc/48/29/71/420482971.db2.gz ZUOPFRSNRSMDFD-LLVKDONJSA-N 1 1 306.366 1.980 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457077256 420602981 /nfs/dbraw/zinc/60/29/81/420602981.db2.gz OZAPUIUUIBJYBA-UHFFFAOYSA-N 1 1 306.366 1.902 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC2(C)C)n1 ZINC000457064582 420599393 /nfs/dbraw/zinc/59/93/93/420599393.db2.gz XAGZYONSPGBJFU-UHFFFAOYSA-N 1 1 309.370 1.415 20 5 DDBDMO COc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000455096615 420967915 /nfs/dbraw/zinc/96/79/15/420967915.db2.gz HAGGLEROFMMCTQ-GXFFZTMASA-N 1 1 320.349 1.771 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382640 421150431 /nfs/dbraw/zinc/15/04/31/421150431.db2.gz BQZFXQODBQHFQK-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382640 421150436 /nfs/dbraw/zinc/15/04/36/421150436.db2.gz BQZFXQODBQHFQK-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382640 421150439 /nfs/dbraw/zinc/15/04/39/421150439.db2.gz BQZFXQODBQHFQK-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(c3cc(C)c([N+](=O)[O-])cn3)[C@H]2C1 ZINC000514720040 421448835 /nfs/dbraw/zinc/44/88/35/421448835.db2.gz ULTPMPXQKSTJSC-UONOGXRCSA-N 1 1 306.366 1.598 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000518650471 421662239 /nfs/dbraw/zinc/66/22/39/421662239.db2.gz JPUXXUQMYFYGAT-ZDUSSCGKSA-N 1 1 321.377 1.604 20 5 DDBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334222 421768710 /nfs/dbraw/zinc/76/87/10/421768710.db2.gz DAFPTFBAUJWPAX-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334222 421768711 /nfs/dbraw/zinc/76/87/11/421768711.db2.gz DAFPTFBAUJWPAX-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000557334222 421768714 /nfs/dbraw/zinc/76/87/14/421768714.db2.gz DAFPTFBAUJWPAX-CQSZACIVSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000580889236 421856500 /nfs/dbraw/zinc/85/65/00/421856500.db2.gz XSOLQUHBGXHIEP-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccnc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000575813473 422330711 /nfs/dbraw/zinc/33/07/11/422330711.db2.gz XPXNYBUXGBAPRK-CYBMUJFWSA-N 1 1 301.350 1.984 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000342144137 271318321 /nfs/dbraw/zinc/31/83/21/271318321.db2.gz XDTNIHXUVWSWKU-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344628897 272074000 /nfs/dbraw/zinc/07/40/00/272074000.db2.gz FNBMILJPOFSADT-VIFPVBQESA-N 1 1 304.306 1.565 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000345300448 272213213 /nfs/dbraw/zinc/21/32/13/272213213.db2.gz KAGSXLZTEIJZJU-LBPRGKRZSA-N 1 1 321.381 1.323 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000345573943 272281872 /nfs/dbraw/zinc/28/18/72/272281872.db2.gz VNXGISYBOGFQRD-NSHDSACASA-N 1 1 323.397 1.732 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000266326251 274118359 /nfs/dbraw/zinc/11/83/59/274118359.db2.gz GGUIRBWWCXXQEK-NWDGAFQWSA-N 1 1 309.366 1.495 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CCC[N@H+](CCO)CC3)ccc2c1 ZINC000171506908 275038853 /nfs/dbraw/zinc/03/88/53/275038853.db2.gz VITJFANNHOVGGM-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000126299593 281233520 /nfs/dbraw/zinc/23/35/20/281233520.db2.gz UJUFOSXWIRICRB-LLVKDONJSA-N 1 1 309.370 1.036 20 5 DDBDMO CCN1CC[NH+](CCC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130568997 281385398 /nfs/dbraw/zinc/38/53/98/281385398.db2.gz KQQSCFUINZTDHU-UHFFFAOYSA-N 1 1 320.393 1.239 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000130948009 281400134 /nfs/dbraw/zinc/40/01/34/281400134.db2.gz QYDVNICIAQGITE-PHIMTYICSA-N 1 1 313.379 1.107 20 5 DDBDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247347520 282047644 /nfs/dbraw/zinc/04/76/44/282047644.db2.gz GLQMLHMIUYTUQV-BLLLJJGKSA-N 1 1 316.361 1.599 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284576034 290237925 /nfs/dbraw/zinc/23/79/25/290237925.db2.gz OUVMIJWTABCKFZ-NWDGAFQWSA-N 1 1 312.757 1.553 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000358038652 299053949 /nfs/dbraw/zinc/05/39/49/299053949.db2.gz BONMIRGURBLDBF-HNNXBMFYSA-N 1 1 319.317 1.137 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362079098 300001896 /nfs/dbraw/zinc/00/18/96/300001896.db2.gz SVIYDAWWXKFAQT-VXGBXAGGSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362079098 300001898 /nfs/dbraw/zinc/00/18/98/300001898.db2.gz SVIYDAWWXKFAQT-VXGBXAGGSA-N 1 1 307.350 1.402 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362290460 300045162 /nfs/dbraw/zinc/04/51/62/300045162.db2.gz RVCCBSIBDURWLK-ZWNOBZJWSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125569 300215773 /nfs/dbraw/zinc/21/57/73/300215773.db2.gz RFBOOHWYROVARE-ZFWWWQNUSA-N 1 1 319.361 1.496 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]21 ZINC000364307975 300373170 /nfs/dbraw/zinc/37/31/70/300373170.db2.gz NTTLXUNWYNSWHL-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000370376358 301326692 /nfs/dbraw/zinc/32/66/92/301326692.db2.gz ZJUWMOTYYHEUEM-OAHLLOKOSA-N 1 1 318.377 1.893 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521837238 302880978 /nfs/dbraw/zinc/88/09/78/302880978.db2.gz CVKIQZORZYNMRS-SNVBAGLBSA-N 1 1 305.338 1.504 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000532078036 303275004 /nfs/dbraw/zinc/27/50/04/303275004.db2.gz IJQDDULYVBYBNF-IINYFYTJSA-N 1 1 318.377 1.849 20 5 DDBDMO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000558311026 303766355 /nfs/dbraw/zinc/76/63/55/303766355.db2.gz JENRHHPUIABAMD-UHFFFAOYSA-N 1 1 324.356 1.322 20 5 DDBDMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364755330 307050462 /nfs/dbraw/zinc/05/04/62/307050462.db2.gz PSKYWIGMEZPYDL-WQVCFCJDSA-N 1 1 317.389 1.993 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000364802578 307051675 /nfs/dbraw/zinc/05/16/75/307051675.db2.gz FVNKGXLQSHWPBB-NSHDSACASA-N 1 1 307.354 1.074 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000365013376 307056333 /nfs/dbraw/zinc/05/63/33/307056333.db2.gz NZVDPNIZVYMFMR-ZDUSSCGKSA-N 1 1 308.382 1.967 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655081 307078659 /nfs/dbraw/zinc/07/86/59/307078659.db2.gz PPHGCWNJCJYTCS-KBPBESRZSA-N 1 1 322.361 1.759 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000368615219 307106492 /nfs/dbraw/zinc/10/64/92/307106492.db2.gz UBACVBSOXWMGML-HBNTYKKESA-N 1 1 321.381 1.470 20 5 DDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000496780943 307360878 /nfs/dbraw/zinc/36/08/78/307360878.db2.gz IQYMWXYBLBBDID-CQSZACIVSA-N 1 1 319.361 1.911 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000570000420 308156281 /nfs/dbraw/zinc/15/62/81/308156281.db2.gz NSOLFDQBVDOSHG-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000570000420 308156282 /nfs/dbraw/zinc/15/62/82/308156282.db2.gz NSOLFDQBVDOSHG-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000195164313 325709290 /nfs/dbraw/zinc/70/92/90/325709290.db2.gz NDNSBDORNWTJHA-UHFFFAOYSA-N 1 1 310.329 1.310 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000584308592 332236381 /nfs/dbraw/zinc/23/63/81/332236381.db2.gz OXUGFTWVLFOXSY-GHMZBOCLSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000584308592 332236382 /nfs/dbraw/zinc/23/63/82/332236382.db2.gz OXUGFTWVLFOXSY-GHMZBOCLSA-N 1 1 322.365 1.614 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457141484 534331200 /nfs/dbraw/zinc/33/12/00/534331200.db2.gz YGXLTHXMAKQIKL-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457141484 534331209 /nfs/dbraw/zinc/33/12/09/534331209.db2.gz YGXLTHXMAKQIKL-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000331338431 534460281 /nfs/dbraw/zinc/46/02/81/534460281.db2.gz JMEIXTJWSHQKBG-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000331338431 534460286 /nfs/dbraw/zinc/46/02/86/534460286.db2.gz JMEIXTJWSHQKBG-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000331338431 534460290 /nfs/dbraw/zinc/46/02/90/534460290.db2.gz JMEIXTJWSHQKBG-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](CCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000452131847 534549362 /nfs/dbraw/zinc/54/93/62/534549362.db2.gz PUHIERQIDZLXMO-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](CCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000452131847 534549365 /nfs/dbraw/zinc/54/93/65/534549365.db2.gz PUHIERQIDZLXMO-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452183358 527737141 /nfs/dbraw/zinc/73/71/41/527737141.db2.gz OWPYOEKBDNRZOK-FZMZJTMJSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452183358 527737144 /nfs/dbraw/zinc/73/71/44/527737144.db2.gz OWPYOEKBDNRZOK-FZMZJTMJSA-N 1 1 307.350 1.493 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000433757216 527998774 /nfs/dbraw/zinc/99/87/74/527998774.db2.gz IRFIDUWCZQBPRU-NSHDSACASA-N 1 1 321.381 1.608 20 5 DDBDMO CCOc1cc(-c2nc(C[NH2+]C)no2)c([N+](=O)[O-])cc1OC ZINC000414497096 528188120 /nfs/dbraw/zinc/18/81/20/528188120.db2.gz FGWPFWKXJXDFSK-UHFFFAOYSA-N 1 1 308.294 1.772 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000302485922 528311395 /nfs/dbraw/zinc/31/13/95/528311395.db2.gz YKKMEMRJKHOSHX-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820664759 599589576 /nfs/dbraw/zinc/58/95/76/599589576.db2.gz BQDHMOSQSCXTNL-ZJUUUORDSA-N 1 1 317.353 1.670 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525087 700013162 /nfs/dbraw/zinc/01/31/62/700013162.db2.gz AKODOWSXMQAENN-ZFWWWQNUSA-N 1 1 307.350 1.086 20 5 DDBDMO CC1(C)CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000126571070 696763209 /nfs/dbraw/zinc/76/32/09/696763209.db2.gz JTNWNEYKJBMDOY-UHFFFAOYSA-N 1 1 317.342 1.106 20 5 DDBDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000775597876 698014267 /nfs/dbraw/zinc/01/42/67/698014267.db2.gz WVSBZVKANYXQGI-GFCCVEGCSA-N 1 1 307.350 1.494 20 5 DDBDMO C[N@H+](C[C@@H]1CCOC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000749965340 700195684 /nfs/dbraw/zinc/19/56/84/700195684.db2.gz ZRJRCBQNGSUYPL-QMMMGPOBSA-N 1 1 319.159 1.480 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000749965340 700195686 /nfs/dbraw/zinc/19/56/86/700195686.db2.gz ZRJRCBQNGSUYPL-QMMMGPOBSA-N 1 1 319.159 1.480 20 5 DDBDMO C[N@@H+](CCc1cnccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776599212 698125577 /nfs/dbraw/zinc/12/55/77/698125577.db2.gz XDFSXOWFLUABFD-OAHLLOKOSA-N 1 1 302.334 1.593 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000750094036 700203578 /nfs/dbraw/zinc/20/35/78/700203578.db2.gz MMXWKXNHSIZDKF-VXGBXAGGSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000750094036 700203579 /nfs/dbraw/zinc/20/35/79/700203579.db2.gz MMXWKXNHSIZDKF-VXGBXAGGSA-N 1 1 320.267 1.627 20 5 DDBDMO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765201 698558448 /nfs/dbraw/zinc/55/84/48/698558448.db2.gz WYDDVCKNDXLRGL-UKRRQHHQSA-N 1 1 315.377 1.711 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000780857627 698563645 /nfs/dbraw/zinc/56/36/45/698563645.db2.gz ZNLAVVICESVPQJ-UHFFFAOYSA-N 1 1 321.424 1.665 20 5 DDBDMO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000782961989 698789784 /nfs/dbraw/zinc/78/97/84/698789784.db2.gz LOEQTNSNJHIQNF-AWEZNQCLSA-N 1 1 320.349 1.639 20 5 DDBDMO COCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000782961989 698789787 /nfs/dbraw/zinc/78/97/87/698789787.db2.gz LOEQTNSNJHIQNF-AWEZNQCLSA-N 1 1 320.349 1.639 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000725789952 699334115 /nfs/dbraw/zinc/33/41/15/699334115.db2.gz SKJKQCXQAGPADY-VIFPVBQESA-N 1 1 307.310 1.264 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000725789952 699334118 /nfs/dbraw/zinc/33/41/18/699334118.db2.gz SKJKQCXQAGPADY-VIFPVBQESA-N 1 1 307.310 1.264 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000789516260 699392283 /nfs/dbraw/zinc/39/22/83/699392283.db2.gz NCBSRLQABKGMAZ-ZDUSSCGKSA-N 1 1 323.397 1.746 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000789516260 699392285 /nfs/dbraw/zinc/39/22/85/699392285.db2.gz NCBSRLQABKGMAZ-ZDUSSCGKSA-N 1 1 323.397 1.746 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000730806821 699516216 /nfs/dbraw/zinc/51/62/16/699516216.db2.gz MNKGRPPDMQMJOS-LLVKDONJSA-N 1 1 305.338 1.375 20 5 DDBDMO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000733192176 699582828 /nfs/dbraw/zinc/58/28/28/699582828.db2.gz XFZXCUCSDDSDLF-LBPRGKRZSA-N 1 1 301.350 1.915 20 5 DDBDMO COC(=O)[C@@H]1CC12CC[NH+](Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000733790837 699617109 /nfs/dbraw/zinc/61/71/09/699617109.db2.gz FJBIOLADWXGHFT-LBPRGKRZSA-N 1 1 322.365 1.641 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)NC ZINC000735870759 699707953 /nfs/dbraw/zinc/70/79/53/699707953.db2.gz YRTKZUWAYVBSLR-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000742058396 699858967 /nfs/dbraw/zinc/85/89/67/699858967.db2.gz BDMDYHXZBOONGU-OLZOCXBDSA-N 1 1 319.361 1.496 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]2C[C@H]21 ZINC000761095491 700843266 /nfs/dbraw/zinc/84/32/66/700843266.db2.gz QPCZIXIBTXVFHD-CMPLNLGQSA-N 1 1 303.318 1.987 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000767028539 701078641 /nfs/dbraw/zinc/07/86/41/701078641.db2.gz BXKNVMPHQKGIJS-CQSZACIVSA-N 1 1 312.297 1.546 20 5 DDBDMO Cc1nn(C)c(C(=O)OCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000767607881 701122345 /nfs/dbraw/zinc/12/23/45/701122345.db2.gz CWURPMLFTGJKMG-UHFFFAOYSA-N 1 1 307.310 1.389 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140405 701234034 /nfs/dbraw/zinc/23/40/34/701234034.db2.gz OJBJWARMTSCCDH-WDEREUQCSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140405 701234035 /nfs/dbraw/zinc/23/40/35/701234035.db2.gz OJBJWARMTSCCDH-WDEREUQCSA-N 1 1 306.366 1.650 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000771585968 701324697 /nfs/dbraw/zinc/32/46/97/701324697.db2.gz QQEXYKSDWPMVFS-UHFFFAOYSA-N 1 1 321.381 1.752 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCn1cc[nH+]c1C ZINC000771940002 701337684 /nfs/dbraw/zinc/33/76/84/701337684.db2.gz XFIYJVSQUFGEBX-UHFFFAOYSA-N 1 1 307.310 1.238 20 5 DDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668354 701773884 /nfs/dbraw/zinc/77/38/84/701773884.db2.gz ZRGXFQMRYHLJCZ-ZBFHGGJFSA-N 1 1 322.361 1.903 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000810841889 701859852 /nfs/dbraw/zinc/85/98/52/701859852.db2.gz RCVGLIZQNKHORD-MNOVXSKESA-N 1 1 308.338 1.595 20 5 DDBDMO C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1(C)C ZINC000866114275 706622165 /nfs/dbraw/zinc/62/21/65/706622165.db2.gz KIJKAZVPTXYQIG-UHFFFAOYSA-N 1 1 306.366 1.614 20 5 DDBDMO O=C1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCCCCCN1 ZINC000879254395 706630074 /nfs/dbraw/zinc/63/00/74/706630074.db2.gz YZRXKWUZRPFYIM-UHFFFAOYSA-N 1 1 309.370 1.174 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812332782 702157441 /nfs/dbraw/zinc/15/74/41/702157441.db2.gz VWKCOQDWJIESLI-CABCVRRESA-N 1 1 317.389 1.938 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000816950099 702234415 /nfs/dbraw/zinc/23/44/15/702234415.db2.gz LVEWAWGJOSJTTG-QMTHXVAHSA-N 1 1 323.324 1.275 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000817377188 702363928 /nfs/dbraw/zinc/36/39/28/702363928.db2.gz IXJUWDHISPJXKR-AWEZNQCLSA-N 1 1 303.366 1.928 20 5 DDBDMO Cc1nn(CCC(=O)OCC[C@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000847826196 703473617 /nfs/dbraw/zinc/47/36/17/703473617.db2.gz CBIKQEHPEWPSJU-CYBMUJFWSA-N 1 1 324.381 1.683 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000818971352 704039102 /nfs/dbraw/zinc/03/91/02/704039102.db2.gz UPIJTTCFYZHHNQ-ZWNOBZJWSA-N 1 1 317.349 1.517 20 5 DDBDMO CN(C)c1nc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819128159 704072953 /nfs/dbraw/zinc/07/29/53/704072953.db2.gz GDZRSXBQNMRTMV-CYBMUJFWSA-N 1 1 322.390 1.941 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870912458 704165725 /nfs/dbraw/zinc/16/57/25/704165725.db2.gz IAUVTJQTFATHKH-GOEBONIOSA-N 1 1 321.377 1.652 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870912461 704165751 /nfs/dbraw/zinc/16/57/51/704165751.db2.gz IAUVTJQTFATHKH-ZBFHGGJFSA-N 1 1 321.377 1.652 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br)C1CC1 ZINC000853064643 704191242 /nfs/dbraw/zinc/19/12/42/704191242.db2.gz JVKOCKUBRMSBFY-QMMMGPOBSA-N 1 1 319.159 1.009 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153397 704232698 /nfs/dbraw/zinc/23/26/98/704232698.db2.gz FSDSSPZAPLYXHC-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153397 704232701 /nfs/dbraw/zinc/23/27/01/704232701.db2.gz FSDSSPZAPLYXHC-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153397 704232702 /nfs/dbraw/zinc/23/27/02/704232702.db2.gz FSDSSPZAPLYXHC-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CC[N@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853490807 704248547 /nfs/dbraw/zinc/24/85/47/704248547.db2.gz FUSIRHGGLHDVIN-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO CC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853490807 704248548 /nfs/dbraw/zinc/24/85/48/704248548.db2.gz FUSIRHGGLHDVIN-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC000853585904 704276017 /nfs/dbraw/zinc/27/60/17/704276017.db2.gz KVEJXANPJLIGQZ-CHWSQXEVSA-N 1 1 302.334 1.870 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC000856795795 704538995 /nfs/dbraw/zinc/53/89/95/704538995.db2.gz JZYGBHQKMXLJGP-ZYHUDNBSSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC000856795795 704538996 /nfs/dbraw/zinc/53/89/96/704538996.db2.gz JZYGBHQKMXLJGP-ZYHUDNBSSA-N 1 1 309.322 1.953 20 5 DDBDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000858036707 704660376 /nfs/dbraw/zinc/66/03/76/704660376.db2.gz QWVURIQTNVLWPE-CQSZACIVSA-N 1 1 317.349 1.648 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000858599274 704732927 /nfs/dbraw/zinc/73/29/27/704732927.db2.gz LXQKYKLBKOPCOB-UHFFFAOYSA-N 1 1 312.301 1.985 20 5 DDBDMO O=[N+]([O-])c1c(NC2CC([NH+]3CCOCC3)C2)nc2ccccn21 ZINC000858601479 704733097 /nfs/dbraw/zinc/73/30/97/704733097.db2.gz ZGXVTPCSOXISGL-UHFFFAOYSA-N 1 1 317.349 1.518 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000859924850 705042844 /nfs/dbraw/zinc/04/28/44/705042844.db2.gz PRPXLECBBGWSOE-CWRNSKLLSA-N 1 1 306.362 1.723 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000859949735 705051849 /nfs/dbraw/zinc/05/18/49/705051849.db2.gz SSCUSJJQXMQPLE-UHFFFAOYSA-N 1 1 305.290 1.722 20 5 DDBDMO Cc1nc(C)c(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000862278961 705693157 /nfs/dbraw/zinc/69/31/57/705693157.db2.gz KEPFUHCIICAKNH-UKRRQHHQSA-N 1 1 321.333 1.384 20 5 DDBDMO Cc1ncc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000862278608 705693172 /nfs/dbraw/zinc/69/31/72/705693172.db2.gz GATVRWWXPZORKB-ZIAGYGMSSA-N 1 1 307.306 1.075 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825868754 705738502 /nfs/dbraw/zinc/73/85/02/705738502.db2.gz JQPSUFXAMOBOMK-AWEZNQCLSA-N 1 1 309.366 1.476 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000826970471 705903130 /nfs/dbraw/zinc/90/31/30/705903130.db2.gz MPINPKCLVFHPEF-IXPVHAAZSA-N 1 1 319.361 1.370 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252914 705960507 /nfs/dbraw/zinc/96/05/07/705960507.db2.gz ALTDZYPUZWNRQK-ZYHUDNBSSA-N 1 1 319.365 1.198 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827300689 705971719 /nfs/dbraw/zinc/97/17/19/705971719.db2.gz NCAPKWQUKMILIL-ZWNOBZJWSA-N 1 1 307.325 1.900 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000877764544 706201504 /nfs/dbraw/zinc/20/15/04/706201504.db2.gz HRWZSAUDWDBQQJ-OKILXGFUSA-N 1 1 308.378 1.751 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000828905411 706253410 /nfs/dbraw/zinc/25/34/10/706253410.db2.gz WPIPNMOQBOVGAA-ABAIWWIYSA-N 1 1 319.361 1.395 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(N2CCN(c3[nH]cc[nH+]3)CC2)cc1F ZINC000865729505 706508037 /nfs/dbraw/zinc/50/80/37/706508037.db2.gz JWTZYCPTBDGIIB-UHFFFAOYSA-N 1 1 321.312 1.276 20 5 DDBDMO NC(=O)[C@@H](F)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879048666 706573339 /nfs/dbraw/zinc/57/33/39/706573339.db2.gz XUMVHTYKMWFMFI-ZDUSSCGKSA-N 1 1 313.304 1.769 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614366 707041763 /nfs/dbraw/zinc/04/17/63/707041763.db2.gz UGYSKXHRVSSTSZ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614366 707041766 /nfs/dbraw/zinc/04/17/66/707041766.db2.gz UGYSKXHRVSSTSZ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614366 707041769 /nfs/dbraw/zinc/04/17/69/707041769.db2.gz UGYSKXHRVSSTSZ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614366 707041771 /nfs/dbraw/zinc/04/17/71/707041771.db2.gz UGYSKXHRVSSTSZ-NSHDSACASA-N 1 1 323.397 1.683 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000872726658 707573973 /nfs/dbraw/zinc/57/39/73/707573973.db2.gz UEAOAUKBONLFGV-ZFWWWQNUSA-N 1 1 315.377 1.928 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000837189581 707594462 /nfs/dbraw/zinc/59/44/62/707594462.db2.gz JOIGWQFQYMRZBX-GFCCVEGCSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000882486320 707657393 /nfs/dbraw/zinc/65/73/93/707657393.db2.gz QCEHBKSNMHRRRC-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000837610702 707695040 /nfs/dbraw/zinc/69/50/40/707695040.db2.gz YUWJRNPWVGQDHG-UHFFFAOYSA-N 1 1 318.333 1.617 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000873045481 707707491 /nfs/dbraw/zinc/70/74/91/707707491.db2.gz FVYUGOKFOSAJST-AWEZNQCLSA-N 1 1 320.437 1.937 20 5 DDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886090484 708696662 /nfs/dbraw/zinc/69/66/62/708696662.db2.gz ZJQPKDGKRHEFGZ-UHFFFAOYSA-N 1 1 321.425 1.448 20 5 DDBDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccnc1[N+](=O)[O-] ZINC000886090484 708696663 /nfs/dbraw/zinc/69/66/63/708696663.db2.gz ZJQPKDGKRHEFGZ-UHFFFAOYSA-N 1 1 321.425 1.448 20 5 DDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000886249583 708725553 /nfs/dbraw/zinc/72/55/53/708725553.db2.gz NZXIARPCMNCNJT-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000886249583 708725555 /nfs/dbraw/zinc/72/55/55/708725555.db2.gz NZXIARPCMNCNJT-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO CN(Cc1cccnc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000886249583 708725557 /nfs/dbraw/zinc/72/55/57/708725557.db2.gz NZXIARPCMNCNJT-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO O=C1C[C@H]([N@@H+]2CC[C@@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303590 709012135 /nfs/dbraw/zinc/01/21/35/709012135.db2.gz XFUJJEKFCRKDRJ-GWCFXTLKSA-N 1 1 321.308 1.518 20 5 DDBDMO O=C1C[C@H]([N@H+]2CC[C@@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303590 709012138 /nfs/dbraw/zinc/01/21/38/709012138.db2.gz XFUJJEKFCRKDRJ-GWCFXTLKSA-N 1 1 321.308 1.518 20 5 DDBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)CC1 ZINC000888993696 709426207 /nfs/dbraw/zinc/42/62/07/709426207.db2.gz CDOGGPJOGKHHIQ-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)CC1 ZINC000888993696 709426208 /nfs/dbraw/zinc/42/62/08/709426208.db2.gz CDOGGPJOGKHHIQ-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891897639 710321094 /nfs/dbraw/zinc/32/10/94/710321094.db2.gz MFQKDOIZHORZBC-LBPRGKRZSA-N 1 1 310.402 1.014 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000928455747 713204529 /nfs/dbraw/zinc/20/45/29/713204529.db2.gz UMMYINBGMWZOOQ-ZWNOBZJWSA-N 1 1 306.366 1.483 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000893939090 710893141 /nfs/dbraw/zinc/89/31/41/710893141.db2.gz HFDVBUMDOKJOLS-XHDPSFHLSA-N 1 1 316.361 1.620 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894973828 711346343 /nfs/dbraw/zinc/34/63/43/711346343.db2.gz BECKRDUSKGUBBT-QWRGUYRKSA-N 1 1 310.350 1.759 20 5 DDBDMO CCc1nn(C)c(NCc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000895465935 711519200 /nfs/dbraw/zinc/51/92/00/711519200.db2.gz NQRNMBFRRFSWIA-UHFFFAOYSA-N 1 1 304.354 1.964 20 5 DDBDMO C[C@@H]1[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738215 711591329 /nfs/dbraw/zinc/59/13/29/711591329.db2.gz IATWKYPQOBCONY-KOLCDFICSA-N 1 1 313.379 1.503 20 5 DDBDMO C[C@@H]1[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895738215 711591331 /nfs/dbraw/zinc/59/13/31/711591331.db2.gz IATWKYPQOBCONY-KOLCDFICSA-N 1 1 313.379 1.503 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000895776371 711604004 /nfs/dbraw/zinc/60/40/04/711604004.db2.gz HUNLXVVCAHWUHM-LBPRGKRZSA-N 1 1 304.350 1.603 20 5 DDBDMO Cc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000896219978 711693526 /nfs/dbraw/zinc/69/35/26/711693526.db2.gz LAJSGXIPOIRIJI-OKILXGFUSA-N 1 1 318.377 1.606 20 5 DDBDMO CCO[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000905577777 712084176 /nfs/dbraw/zinc/08/41/76/712084176.db2.gz BOORPHKLJLUQNL-GJZGRUSLSA-N 1 1 311.382 1.185 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000913933882 713321940 /nfs/dbraw/zinc/32/19/40/713321940.db2.gz USZZDXSDUPAFSR-RYUDHWBXSA-N 1 1 321.381 1.399 20 5 DDBDMO C[N@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930470642 713843214 /nfs/dbraw/zinc/84/32/14/713843214.db2.gz ICCPQXNZKLAJTF-UHFFFAOYSA-N 1 1 316.155 1.665 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930470642 713843217 /nfs/dbraw/zinc/84/32/17/713843217.db2.gz ICCPQXNZKLAJTF-UHFFFAOYSA-N 1 1 316.155 1.665 20 5 DDBDMO CC(C)(C)OC(=O)CC[N@@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000930808753 713925048 /nfs/dbraw/zinc/92/50/48/713925048.db2.gz KTEZDSFZXWEFLZ-UHFFFAOYSA-N 1 1 302.371 1.476 20 5 DDBDMO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000930882364 713949080 /nfs/dbraw/zinc/94/90/80/713949080.db2.gz KEVNGKOXQXQSKN-UHFFFAOYSA-N 1 1 321.381 1.306 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000932009871 714233846 /nfs/dbraw/zinc/23/38/46/714233846.db2.gz IVQRCOOMWHDDAU-GFCCVEGCSA-N 1 1 308.334 1.668 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923309204 714306556 /nfs/dbraw/zinc/30/65/56/714306556.db2.gz MVWXQHPPUFWHJQ-YPMHNXCESA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371045 714331646 /nfs/dbraw/zinc/33/16/46/714331646.db2.gz URIYHHQVQCWIBF-BRXULGCHSA-N 1 1 323.393 1.311 20 5 DDBDMO [NH3+]CC[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481782 714370024 /nfs/dbraw/zinc/37/00/24/714370024.db2.gz LOPMASGGSAWMTA-WFASDCNBSA-N 1 1 318.377 1.371 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932649080 714376215 /nfs/dbraw/zinc/37/62/15/714376215.db2.gz PGYAFGDKHYMZSK-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932649080 714376217 /nfs/dbraw/zinc/37/62/17/714376217.db2.gz PGYAFGDKHYMZSK-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO COC[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933326322 714562820 /nfs/dbraw/zinc/56/28/20/714562820.db2.gz ADWJTAFKSDLMMV-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933326322 714562822 /nfs/dbraw/zinc/56/28/22/714562822.db2.gz ADWJTAFKSDLMMV-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925317524 714806889 /nfs/dbraw/zinc/80/68/89/714806889.db2.gz MCKAOCIKYMURRK-WCQYABFASA-N 1 1 306.366 1.829 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832076 714912783 /nfs/dbraw/zinc/91/27/83/714912783.db2.gz NIFDRDMJQCTBSO-QWHCGFSZSA-N 1 1 308.382 1.967 20 5 DDBDMO Cc1ccc(CCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936848 742843507 /nfs/dbraw/zinc/84/35/07/742843507.db2.gz UNSQJPMAUZPACJ-HUUCEWRRSA-N 1 1 305.378 1.299 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107234057 749663963 /nfs/dbraw/zinc/66/39/63/749663963.db2.gz WMEJFWXVVRDHJO-SNAWJCMRSA-N 1 1 321.381 1.414 20 5 DDBDMO O=C(NCC1([NH2+]C/C=C/Cl)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530740 751045519 /nfs/dbraw/zinc/04/55/19/751045519.db2.gz OMBLSZZFJROUQF-KSOFABFVSA-N 1 1 315.801 1.813 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000997770906 751268543 /nfs/dbraw/zinc/26/85/43/751268543.db2.gz AVMGKEVYYMZGDY-HZPDHXFCSA-N 1 1 317.389 1.680 20 5 DDBDMO CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169029688 762186241 /nfs/dbraw/zinc/18/62/41/762186241.db2.gz VFSCUCSJTKGPJQ-FRRDWIJNSA-N 1 1 312.366 1.276 20 5 DDBDMO COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169050669 762207226 /nfs/dbraw/zinc/20/72/26/762207226.db2.gz CHCYGVHIMOSZOM-MELADBBJSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139568 760613736 /nfs/dbraw/zinc/61/37/36/760613736.db2.gz GBZGEMRSJJVGIA-RGCMKSIDSA-N 1 1 321.352 1.270 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170328654 766253868 /nfs/dbraw/zinc/25/38/68/766253868.db2.gz LAVBFPYZKLLBAD-KNXALSJPSA-N 1 1 324.377 1.880 20 5 DDBDMO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC001170352517 766260706 /nfs/dbraw/zinc/26/07/06/766260706.db2.gz XNDMNPBVMDMQMM-DVOMOZLQSA-N 1 1 323.393 1.015 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC001170352517 766260711 /nfs/dbraw/zinc/26/07/11/766260711.db2.gz XNDMNPBVMDMQMM-DVOMOZLQSA-N 1 1 323.393 1.015 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC001170352517 766260717 /nfs/dbraw/zinc/26/07/17/766260717.db2.gz XNDMNPBVMDMQMM-DVOMOZLQSA-N 1 1 323.393 1.015 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170352040 766280067 /nfs/dbraw/zinc/28/00/67/766280067.db2.gz KFWLEMIZZBISDF-GFCCVEGCSA-N 1 1 323.393 1.945 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001147741598 773227714 /nfs/dbraw/zinc/22/77/14/773227714.db2.gz GEKCQQIFFCEZMA-CMPLNLGQSA-N 1 1 321.381 1.517 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001100149975 775735550 /nfs/dbraw/zinc/73/55/50/775735550.db2.gz XYRREWWZDXCJHE-UHFFFAOYSA-N 1 1 322.409 1.796 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001094573775 776047576 /nfs/dbraw/zinc/04/75/76/776047576.db2.gz GSSDVRZTIVCRGR-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ncccc1[N+](=O)[O-] ZINC001100546922 776292614 /nfs/dbraw/zinc/29/26/14/776292614.db2.gz YLCRJXGLDOYOPM-UHFFFAOYSA-N 1 1 323.397 1.273 20 5 DDBDMO CCNC(=O)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907067 776918263 /nfs/dbraw/zinc/91/82/63/776918263.db2.gz CMEVWUXUCATIQF-AWEZNQCLSA-N 1 1 305.378 1.910 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001175839402 777922343 /nfs/dbraw/zinc/92/23/43/777922343.db2.gz XQBMBTRHWSXYOK-VIFPVBQESA-N 1 1 312.757 1.654 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001118535865 781152876 /nfs/dbraw/zinc/15/28/76/781152876.db2.gz GSTFGBHLABZIIB-ZDUSSCGKSA-N 1 1 309.414 1.404 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001118535865 781152881 /nfs/dbraw/zinc/15/28/81/781152881.db2.gz GSTFGBHLABZIIB-ZDUSSCGKSA-N 1 1 309.414 1.404 20 5 DDBDMO C[N@H+](CCNC(=O)C1=COCCO1)Cc1ccccc1[N+](=O)[O-] ZINC001267186187 837493341 /nfs/dbraw/zinc/49/33/41/837493341.db2.gz ZFWDSCOZRDQWGE-UHFFFAOYSA-N 1 1 321.333 1.031 20 5 DDBDMO C[N@@H+](CCNC(=O)C1=COCCO1)Cc1ccccc1[N+](=O)[O-] ZINC001267186187 837493347 /nfs/dbraw/zinc/49/33/47/837493347.db2.gz ZFWDSCOZRDQWGE-UHFFFAOYSA-N 1 1 321.333 1.031 20 5 DDBDMO CC(C)(F)C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001267673236 838619643 /nfs/dbraw/zinc/61/96/43/838619643.db2.gz AYCJBTJCDPJFGL-UHFFFAOYSA-N 1 1 309.341 1.891 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001292190694 846474852 /nfs/dbraw/zinc/47/48/52/846474852.db2.gz ACCZSJFQZLGWJN-UHFFFAOYSA-N 1 1 322.365 1.093 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975897 859506816 /nfs/dbraw/zinc/50/68/16/859506816.db2.gz GUSQVLAMRAVGBN-SLEUVZQESA-N 1 1 318.377 1.160 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001124109341 859583938 /nfs/dbraw/zinc/58/39/38/859583938.db2.gz MLWUUPLRAARESF-JHJVBQTASA-N 1 1 318.377 1.707 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156836516 863384395 /nfs/dbraw/zinc/38/43/95/863384395.db2.gz KOPWEIPPPMRQDD-JTQLQIEISA-N 1 1 307.354 1.032 20 5 DDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001157009826 863515118 /nfs/dbraw/zinc/51/51/18/863515118.db2.gz NFFOXEFPSPGNTR-JTQLQIEISA-N 1 1 314.773 1.801 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC001157266082 863694813 /nfs/dbraw/zinc/69/48/13/863694813.db2.gz NQEOHOJJWFQXQE-GWCFXTLKSA-N 1 1 320.349 1.307 20 5 DDBDMO COc1ncnc(N2CC[N@@H+](C)CC23CCCC3)c1[N+](=O)[O-] ZINC001158408905 864634479 /nfs/dbraw/zinc/63/44/79/864634479.db2.gz QWKORMOOEWOVLM-UHFFFAOYSA-N 1 1 307.354 1.458 20 5 DDBDMO CCOC(=O)C1=C(N=c2[nH]ccc(C)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453031 865309235 /nfs/dbraw/zinc/30/92/35/865309235.db2.gz MVRAEVXEXLMSBK-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO CCOC(=O)C1=C(Nc2nccc(C)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453031 865309252 /nfs/dbraw/zinc/30/92/52/865309252.db2.gz MVRAEVXEXLMSBK-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC001160152451 865702664 /nfs/dbraw/zinc/70/26/64/865702664.db2.gz BISZCSGSGMJCQC-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc(-n2cc(CC[NH3+])c3cnccc32)ncc1[N+](=O)[O-] ZINC001160945520 866205647 /nfs/dbraw/zinc/20/56/47/866205647.db2.gz CSDJQDAFFGHMPG-UHFFFAOYSA-N 1 1 313.317 1.839 20 5 DDBDMO COc1ccc2ncc([N+](=O)[O-])c(N3CC[NH+](C)CC3)c2c1 ZINC001333344730 866654162 /nfs/dbraw/zinc/65/41/62/866654162.db2.gz XDNFMOAZSUBPOV-UHFFFAOYSA-N 1 1 302.334 1.903 20 5 DDBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001321052234 867266731 /nfs/dbraw/zinc/26/67/31/867266731.db2.gz CWYIFKUFHFDVGC-UPHRSURJSA-N 1 1 321.362 1.455 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC001335513253 868353189 /nfs/dbraw/zinc/35/31/89/868353189.db2.gz URSDEHKPNPMUKT-NSHDSACASA-N 1 1 320.393 1.820 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001336746989 869122191 /nfs/dbraw/zinc/12/21/91/869122191.db2.gz YVHFRIWNOPJHIM-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001317204933 870466841 /nfs/dbraw/zinc/46/68/41/870466841.db2.gz LSYUAGNYKOSGQI-VIKVFOODSA-N 1 1 319.361 1.178 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CCNC3=S)nc2c1 ZINC001308988750 871543691 /nfs/dbraw/zinc/54/36/91/871543691.db2.gz UIMGDIWFGPXRGC-UHFFFAOYSA-N 1 1 321.362 1.016 20 5 DDBDMO C[C@H](C[N+](C)(C)C)Oc1ncnc2[nH]nc(Br)c21 ZINC001226667634 882575539 /nfs/dbraw/zinc/57/55/39/882575539.db2.gz BHXWDWOPAALPSM-SSDOTTSWSA-N 1 1 315.195 1.589 20 5 DDBDMO COc1ccc(NC(=O)NCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001347771105 874271478 /nfs/dbraw/zinc/27/14/78/874271478.db2.gz HAKABRALTVCBIW-UHFFFAOYSA-N 1 1 319.321 1.930 20 5 DDBDMO CC(C)[NH+]1CC(Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227092302 882824255 /nfs/dbraw/zinc/82/42/55/882824255.db2.gz PJPZPVHUSDZRLK-UHFFFAOYSA-N 1 1 304.306 1.715 20 5 DDBDMO C[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001349972671 875483282 /nfs/dbraw/zinc/48/32/82/875483282.db2.gz WZADWBDAQNETCY-OUAUKWLOSA-N 1 1 310.354 1.633 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001352968521 877044844 /nfs/dbraw/zinc/04/48/44/877044844.db2.gz FUUSLODMHSUCAA-JTQLQIEISA-N 1 1 307.354 1.407 20 5 DDBDMO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1COC[NH2+]1 ZINC001218857997 877770915 /nfs/dbraw/zinc/77/09/15/877770915.db2.gz SNDCANSRQVXNJJ-HNNXBMFYSA-N 1 1 309.329 1.250 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001223943265 881156885 /nfs/dbraw/zinc/15/68/85/881156885.db2.gz KOBMOMQBNOBZLL-BJJXKVORSA-N 1 1 320.345 1.924 20 5 DDBDMO C[N@H+]1CC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229562772 884049749 /nfs/dbraw/zinc/04/97/49/884049749.db2.gz IDAAMETVTURVOD-MRVPVSSYSA-N 1 1 302.128 1.835 20 5 DDBDMO COc1c(C)cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001229870498 884200367 /nfs/dbraw/zinc/20/03/67/884200367.db2.gz NKDXKIBVRIDIHB-VIFPVBQESA-N 1 1 311.294 1.903 20 5 DDBDMO COC(=O)c1cc(O[C@@H]2C[NH+]3CCC2CC3)c(F)cc1[N+](=O)[O-] ZINC001229943726 884243664 /nfs/dbraw/zinc/24/36/64/884243664.db2.gz UJWAJFFDSDRHCF-CQSZACIVSA-N 1 1 324.308 1.994 20 5 DDBDMO N[C@]12C[C@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870272 892961659 /nfs/dbraw/zinc/96/16/59/892961659.db2.gz OGZWMFNJWQTFMJ-LRDDRELGSA-N 1 1 302.378 1.597 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC001254479294 896457039 /nfs/dbraw/zinc/45/70/39/896457039.db2.gz WVTMAJSJBWWWSU-CYBMUJFWSA-N 1 1 305.378 1.878 20 5 DDBDMO CCC(=O)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254596343 896521095 /nfs/dbraw/zinc/52/10/95/896521095.db2.gz CPWOOLYCRDOSNJ-OAHLLOKOSA-N 1 1 303.362 1.616 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254604015 896528128 /nfs/dbraw/zinc/52/81/28/896528128.db2.gz SHIZFXYRKMPSHF-CABCVRRESA-N 1 1 301.346 1.369 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254604015 896528141 /nfs/dbraw/zinc/52/81/41/896528141.db2.gz SHIZFXYRKMPSHF-CABCVRRESA-N 1 1 301.346 1.369 20 5 DDBDMO CCOC(=O)C[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001262013464 899895912 /nfs/dbraw/zinc/89/59/12/899895912.db2.gz CVEFZZHVHQHGSJ-LBPRGKRZSA-N 1 1 310.354 1.517 20 5 DDBDMO Cc1c(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC001296421003 916402443 /nfs/dbraw/zinc/40/24/43/916402443.db2.gz PTDQZPDSWZMSPJ-HUUCEWRRSA-N 1 1 321.377 1.365 20 5 DDBDMO Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000278277167 214062851 /nfs/dbraw/zinc/06/28/51/214062851.db2.gz BHRYIJBITJOIGZ-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453614 214162361 /nfs/dbraw/zinc/16/23/61/214162361.db2.gz RDBVZNBEWGGPDU-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453614 214162364 /nfs/dbraw/zinc/16/23/64/214162364.db2.gz RDBVZNBEWGGPDU-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000278453614 214162375 /nfs/dbraw/zinc/16/23/75/214162375.db2.gz RDBVZNBEWGGPDU-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451578513 231129908 /nfs/dbraw/zinc/12/99/08/231129908.db2.gz XKIGOQXZHCKPGW-HZMBPMFUSA-N 1 1 307.350 1.551 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173249 185215687 /nfs/dbraw/zinc/21/56/87/185215687.db2.gz SUXVVMBZZPBTLA-VIFPVBQESA-N 1 1 307.306 1.977 20 5 DDBDMO CCC(CC)[N@@H+](CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525706 282184123 /nfs/dbraw/zinc/18/41/23/282184123.db2.gz OVSDLOUHPWRYTM-UHFFFAOYSA-N 1 1 311.382 1.894 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000295788908 529504961 /nfs/dbraw/zinc/50/49/61/529504961.db2.gz UWXUDCADGGURHZ-NSHDSACASA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000295788908 529504964 /nfs/dbraw/zinc/50/49/64/529504964.db2.gz UWXUDCADGGURHZ-NSHDSACASA-N 1 1 306.322 1.848 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452345771 231354529 /nfs/dbraw/zinc/35/45/29/231354529.db2.gz FTSXFBRLCFOOHM-AWEZNQCLSA-N 1 1 321.377 1.100 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000615037698 362123458 /nfs/dbraw/zinc/12/34/58/362123458.db2.gz IYVPUEPMPMCFLQ-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000615037698 362123464 /nfs/dbraw/zinc/12/34/64/362123464.db2.gz IYVPUEPMPMCFLQ-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671845 215050587 /nfs/dbraw/zinc/05/05/87/215050587.db2.gz DLYXIGJOPYGWIV-CHWSQXEVSA-N 1 1 309.366 1.382 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487515346 233812425 /nfs/dbraw/zinc/81/24/25/233812425.db2.gz KHQTVVDCKUSRLE-WCQYABFASA-N 1 1 321.381 1.153 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000063722336 352921076 /nfs/dbraw/zinc/92/10/76/352921076.db2.gz UKHFZUSCKORFRR-UHFFFAOYSA-N 1 1 309.370 1.124 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066048429 352975401 /nfs/dbraw/zinc/97/54/01/352975401.db2.gz SVWVAVAVAQDNFU-LLVKDONJSA-N 1 1 320.353 1.139 20 5 DDBDMO CC1(C)C[N@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000173396255 198210425 /nfs/dbraw/zinc/21/04/25/198210425.db2.gz AEVDQTULLIRGRO-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO CC1(C)C[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000173396255 198210426 /nfs/dbraw/zinc/21/04/26/198210426.db2.gz AEVDQTULLIRGRO-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2csc([N+](=O)[O-])c2)n1C ZINC000074094989 353290303 /nfs/dbraw/zinc/29/03/03/353290303.db2.gz WOYJUWJGVJUECT-UHFFFAOYSA-N 1 1 309.351 1.386 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076795579 353438728 /nfs/dbraw/zinc/43/87/28/353438728.db2.gz WEFVZGCJHSKCQN-LLVKDONJSA-N 1 1 308.386 1.891 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080451185 353609453 /nfs/dbraw/zinc/60/94/53/353609453.db2.gz OLHCNYXWHCGFPV-AWEZNQCLSA-N 1 1 321.402 1.858 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1 ZINC000090145881 353791441 /nfs/dbraw/zinc/79/14/41/353791441.db2.gz AFAWYIAPAJOWDX-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1 ZINC000090145881 353791442 /nfs/dbraw/zinc/79/14/42/353791442.db2.gz AFAWYIAPAJOWDX-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000092642215 353865119 /nfs/dbraw/zinc/86/51/19/353865119.db2.gz DJZBAPDACFDISL-GFCCVEGCSA-N 1 1 321.381 1.298 20 5 DDBDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000102487495 353926190 /nfs/dbraw/zinc/92/61/90/353926190.db2.gz IXKCERWYBJYYAH-NSHDSACASA-N 1 1 321.381 1.127 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765322 363298149 /nfs/dbraw/zinc/29/81/49/363298149.db2.gz WDGNUOTXPCNLQC-GFCCVEGCSA-N 1 1 309.366 1.129 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119364 354196507 /nfs/dbraw/zinc/19/65/07/354196507.db2.gz YKYWFEOVEGBPRU-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119364 354196510 /nfs/dbraw/zinc/19/65/10/354196510.db2.gz YKYWFEOVEGBPRU-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)C1CC1 ZINC000156634181 354220308 /nfs/dbraw/zinc/22/03/08/354220308.db2.gz CJOCKKKRIWFPJB-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)C1CC1 ZINC000156634181 354220312 /nfs/dbraw/zinc/22/03/12/354220312.db2.gz CJOCKKKRIWFPJB-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305729961 354471215 /nfs/dbraw/zinc/47/12/15/354471215.db2.gz KFAPPIXVFAAEFK-QMTHXVAHSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)Cc1ccccc1 ZINC000309543141 354473154 /nfs/dbraw/zinc/47/31/54/354473154.db2.gz NDSLESPXSKKVEF-UHFFFAOYSA-N 1 1 304.350 1.594 20 5 DDBDMO CC[N@@H+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000318517200 354516545 /nfs/dbraw/zinc/51/65/45/354516545.db2.gz YZOLNESOQJCECP-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000318517200 354516548 /nfs/dbraw/zinc/51/65/48/354516548.db2.gz YZOLNESOQJCECP-JTQLQIEISA-N 1 1 308.338 1.307 20 5 DDBDMO COc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1C ZINC000320040907 354524920 /nfs/dbraw/zinc/52/49/20/354524920.db2.gz CNRKKNFNISJMAG-LBPRGKRZSA-N 1 1 308.382 1.570 20 5 DDBDMO Nc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309780 354881905 /nfs/dbraw/zinc/88/19/05/354881905.db2.gz QUGNMBCJONQTNA-YPMHNXCESA-N 1 1 306.366 1.708 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501665 354996932 /nfs/dbraw/zinc/99/69/32/354996932.db2.gz VPWQHTGZJGGUED-JTQLQIEISA-N 1 1 323.349 1.195 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000589515070 354999121 /nfs/dbraw/zinc/99/91/21/354999121.db2.gz UVFMXQRKXNBBAP-ZDUSSCGKSA-N 1 1 308.334 1.728 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590442691 355096780 /nfs/dbraw/zinc/09/67/80/355096780.db2.gz ACHHCXYGGZBWPW-AAEUAGOBSA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@H]2C1 ZINC000590445623 355098722 /nfs/dbraw/zinc/09/87/22/355098722.db2.gz QZZRWDQHDMEHRP-SKDRFNHKSA-N 1 1 319.317 1.100 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)[C@H]1C ZINC000590759166 355168501 /nfs/dbraw/zinc/16/85/01/355168501.db2.gz ZPFWRVHBWHLIPB-RISCZKNCSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000590762238 355170098 /nfs/dbraw/zinc/17/00/98/355170098.db2.gz GZSXYNGGYCYODC-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000590762238 355170100 /nfs/dbraw/zinc/17/01/00/355170100.db2.gz GZSXYNGGYCYODC-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[N@@H+](CCCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC000591166369 355258313 /nfs/dbraw/zinc/25/83/13/355258313.db2.gz FUYFZWUIYUTVFG-UHFFFAOYSA-N 1 1 308.382 1.956 20 5 DDBDMO CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592829333 355705934 /nfs/dbraw/zinc/70/59/34/355705934.db2.gz NXKHYASARCWTQN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592829333 355705935 /nfs/dbraw/zinc/70/59/35/355705935.db2.gz NXKHYASARCWTQN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592829333 355705939 /nfs/dbraw/zinc/70/59/39/355705939.db2.gz NXKHYASARCWTQN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000594003569 356084369 /nfs/dbraw/zinc/08/43/69/356084369.db2.gz APOPJUAZDSBZJQ-RYUDHWBXSA-N 1 1 318.333 1.894 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000594056835 356101127 /nfs/dbraw/zinc/10/11/27/356101127.db2.gz ZGVMFTKHHIAXMP-SNVBAGLBSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000594056835 356101133 /nfs/dbraw/zinc/10/11/33/356101133.db2.gz ZGVMFTKHHIAXMP-SNVBAGLBSA-N 1 1 308.334 1.807 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284571803 283158558 /nfs/dbraw/zinc/15/85/58/283158558.db2.gz OKWSUCKTVFRBON-VXGBXAGGSA-N 1 1 312.757 1.553 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccn1 ZINC000595097697 356381840 /nfs/dbraw/zinc/38/18/40/356381840.db2.gz CMJRSFRZLCTYCY-NSHDSACASA-N 1 1 315.333 1.892 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595446562 356496465 /nfs/dbraw/zinc/49/64/65/356496465.db2.gz MDDYBXVNNXUSEW-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663088 356598075 /nfs/dbraw/zinc/59/80/75/356598075.db2.gz QXDWVMWWJTWTOY-MRXNPFEDSA-N 1 1 324.377 1.837 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc(CCc3c[nH+]cn3C)n2)n1C ZINC000347174899 283196642 /nfs/dbraw/zinc/19/66/42/283196642.db2.gz ZJFGNSYAWVBDEB-UHFFFAOYSA-N 1 1 317.309 1.205 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c1 ZINC000595767433 356643691 /nfs/dbraw/zinc/64/36/91/356643691.db2.gz XHFZXNAVNZBIRN-ZWNOBZJWSA-N 1 1 308.334 1.727 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595758703 356639427 /nfs/dbraw/zinc/63/94/27/356639427.db2.gz UGSMPSZZYIQOAF-BFQNTYOBSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595758703 356639429 /nfs/dbraw/zinc/63/94/29/356639429.db2.gz UGSMPSZZYIQOAF-BFQNTYOBSA-N 1 1 319.361 1.687 20 5 DDBDMO COc1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595760096 356641198 /nfs/dbraw/zinc/64/11/98/356641198.db2.gz QYTQZXVCIFYRJE-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000595760096 356641201 /nfs/dbraw/zinc/64/12/01/356641201.db2.gz QYTQZXVCIFYRJE-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762096 356641768 /nfs/dbraw/zinc/64/17/68/356641768.db2.gz ZXPOWZPUZRFGGD-LRDDRELGSA-N 1 1 322.361 1.951 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596214956 356817971 /nfs/dbraw/zinc/81/79/71/356817971.db2.gz NYSVPNZXPHHAIL-UHFFFAOYSA-N 1 1 309.370 1.119 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596214956 356817974 /nfs/dbraw/zinc/81/79/74/356817974.db2.gz NYSVPNZXPHHAIL-UHFFFAOYSA-N 1 1 309.370 1.119 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596308691 356852564 /nfs/dbraw/zinc/85/25/64/356852564.db2.gz KWWSHGQXBROTPH-LLVKDONJSA-N 1 1 306.366 1.978 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)CO ZINC000597237040 357106007 /nfs/dbraw/zinc/10/60/07/357106007.db2.gz VZCDNDMKWCXXHT-ZBEGNZNMSA-N 1 1 322.361 1.816 20 5 DDBDMO Cc1[nH+]cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)n1C ZINC000597148289 357072669 /nfs/dbraw/zinc/07/26/69/357072669.db2.gz BDXGBEFRZRMVTN-UHFFFAOYSA-N 1 1 316.365 1.354 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597921919 357382965 /nfs/dbraw/zinc/38/29/65/357382965.db2.gz HVDYSPYKVXYHEZ-SNVBAGLBSA-N 1 1 306.366 1.780 20 5 DDBDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597924405 357383343 /nfs/dbraw/zinc/38/33/43/357383343.db2.gz QTWGNTWODCRWDZ-LLVKDONJSA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597924405 357383349 /nfs/dbraw/zinc/38/33/49/357383349.db2.gz QTWGNTWODCRWDZ-LLVKDONJSA-N 1 1 307.350 1.903 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000347685953 283258807 /nfs/dbraw/zinc/25/88/07/283258807.db2.gz SAGHZYQKDSPXPV-GFCCVEGCSA-N 1 1 309.370 1.067 20 5 DDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598041440 357439582 /nfs/dbraw/zinc/43/95/82/357439582.db2.gz LWTAZKRMNMRNSJ-CQSZACIVSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000347685953 283258810 /nfs/dbraw/zinc/25/88/10/283258810.db2.gz SAGHZYQKDSPXPV-GFCCVEGCSA-N 1 1 309.370 1.067 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343408 357546056 /nfs/dbraw/zinc/54/60/56/357546056.db2.gz ULIMWFNLZVIXGB-ZDUSSCGKSA-N 1 1 320.393 1.632 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651087 357671815 /nfs/dbraw/zinc/67/18/15/357671815.db2.gz QQOSGWPRLOODMD-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651087 357671819 /nfs/dbraw/zinc/67/18/19/357671819.db2.gz QQOSGWPRLOODMD-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598569233 357635213 /nfs/dbraw/zinc/63/52/13/357635213.db2.gz BZBAGIBJHCTSKN-JTQLQIEISA-N 1 1 309.370 1.511 20 5 DDBDMO CNC(=O)c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599094660 357814271 /nfs/dbraw/zinc/81/42/71/357814271.db2.gz XLCUUPGWCOOCIJ-UHFFFAOYSA-N 1 1 324.356 1.436 20 5 DDBDMO C[N@@H+](CC1(C)COC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599571973 357979778 /nfs/dbraw/zinc/97/97/78/357979778.db2.gz ZADGJMCMQQVYHR-CQSZACIVSA-N 1 1 319.361 1.668 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599684413 358024205 /nfs/dbraw/zinc/02/42/05/358024205.db2.gz OHTUIGMTBHQWEP-COLVAYQJSA-N 1 1 320.345 1.727 20 5 DDBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601165107 358428949 /nfs/dbraw/zinc/42/89/49/358428949.db2.gz KGQFRDDOBNZOLO-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601165107 358428953 /nfs/dbraw/zinc/42/89/53/358428953.db2.gz KGQFRDDOBNZOLO-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000601956526 358752879 /nfs/dbraw/zinc/75/28/79/358752879.db2.gz RUNLZTJFGASDIC-GDBMZVCRSA-N 1 1 308.378 1.939 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000601956526 358752883 /nfs/dbraw/zinc/75/28/83/358752883.db2.gz RUNLZTJFGASDIC-GDBMZVCRSA-N 1 1 308.378 1.939 20 5 DDBDMO Cn1cc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602425615 358968420 /nfs/dbraw/zinc/96/84/20/358968420.db2.gz RSEKYPNVSAKHOG-HNNXBMFYSA-N 1 1 315.377 1.817 20 5 DDBDMO Cn1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602425615 358968423 /nfs/dbraw/zinc/96/84/23/358968423.db2.gz RSEKYPNVSAKHOG-HNNXBMFYSA-N 1 1 315.377 1.817 20 5 DDBDMO C[C@H](CCN(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602535645 359032831 /nfs/dbraw/zinc/03/28/31/359032831.db2.gz WEGILRZNUNYBTH-CYBMUJFWSA-N 1 1 321.425 1.888 20 5 DDBDMO COc1c(C)c[nH+]c(CN(C)Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC000602607900 359070159 /nfs/dbraw/zinc/07/01/59/359070159.db2.gz NJYUNEPNOBOUHC-UHFFFAOYSA-N 1 1 319.365 1.981 20 5 DDBDMO CCNC(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602589910 359058825 /nfs/dbraw/zinc/05/88/25/359058825.db2.gz ZNVKXGOIVLBHQB-UHFFFAOYSA-N 1 1 322.184 1.645 20 5 DDBDMO CC(=O)NC1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804097 359203039 /nfs/dbraw/zinc/20/30/39/359203039.db2.gz HYOVDCKKDVUVTJ-UHFFFAOYSA-N 1 1 323.397 1.479 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000602807284 359204637 /nfs/dbraw/zinc/20/46/37/359204637.db2.gz RKZVPQPCFFVJPI-UHFFFAOYSA-N 1 1 319.369 1.088 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000602807284 359204640 /nfs/dbraw/zinc/20/46/40/359204640.db2.gz RKZVPQPCFFVJPI-UHFFFAOYSA-N 1 1 319.369 1.088 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000602813828 359209072 /nfs/dbraw/zinc/20/90/72/359209072.db2.gz ZXYVGOVKTLVXIL-CQSZACIVSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000602915135 359292205 /nfs/dbraw/zinc/29/22/05/359292205.db2.gz JRMIOPZFGVFADC-UHFFFAOYSA-N 1 1 302.334 1.864 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(O)cccc2C1 ZINC000602915135 359292208 /nfs/dbraw/zinc/29/22/08/359292208.db2.gz JRMIOPZFGVFADC-UHFFFAOYSA-N 1 1 302.334 1.864 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000602950603 359316677 /nfs/dbraw/zinc/31/66/77/359316677.db2.gz GTCHJTVFVKVQJN-UHFFFAOYSA-N 1 1 307.354 1.278 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000603142351 359431482 /nfs/dbraw/zinc/43/14/82/359431482.db2.gz JQTKZYNRNGIDCI-TXEJJXNPSA-N 1 1 309.370 1.123 20 5 DDBDMO CC1(C)[C@H](Nc2ncc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000603400426 359616525 /nfs/dbraw/zinc/61/65/25/359616525.db2.gz XBEXQESDPOCIIO-VXGBXAGGSA-N 1 1 307.354 1.296 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000276309833 212792902 /nfs/dbraw/zinc/79/29/02/212792902.db2.gz OFYNUDMOKQMMHB-KBPBESRZSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000187810929 200160068 /nfs/dbraw/zinc/16/00/68/200160068.db2.gz KIHBIMCPHWAUKI-HIFRSBDPSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)o2)cc1 ZINC000187664225 200141364 /nfs/dbraw/zinc/14/13/64/200141364.db2.gz STXIZYIYLVVILL-KBPBESRZSA-N 1 1 318.329 1.782 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609382553 360303014 /nfs/dbraw/zinc/30/30/14/360303014.db2.gz BZOAUEGMORXJOI-ZDUSSCGKSA-N 1 1 319.361 1.574 20 5 DDBDMO COCC1([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611178845 360650164 /nfs/dbraw/zinc/65/01/64/360650164.db2.gz QEUXHBXFZNIXGW-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO COCC1([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611178845 360650168 /nfs/dbraw/zinc/65/01/68/360650168.db2.gz QEUXHBXFZNIXGW-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088437 360620095 /nfs/dbraw/zinc/62/00/95/360620095.db2.gz VVXNBZGWZPTJOP-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088437 360620096 /nfs/dbraw/zinc/62/00/96/360620096.db2.gz VVXNBZGWZPTJOP-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092538 360620786 /nfs/dbraw/zinc/62/07/86/360620786.db2.gz YCXOVAUXQWYFGX-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000611195855 360656729 /nfs/dbraw/zinc/65/67/29/360656729.db2.gz YXFPSHHEEFAWTN-JTQLQIEISA-N 1 1 302.334 1.900 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194610369 201262849 /nfs/dbraw/zinc/26/28/49/201262849.db2.gz OZFAOLANAAEJNT-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195326879 201378471 /nfs/dbraw/zinc/37/84/71/201378471.db2.gz UEOCNYZSSCMWGM-ZDUSSCGKSA-N 1 1 321.402 1.994 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252434 363945055 /nfs/dbraw/zinc/94/50/55/363945055.db2.gz LKXFTCIZXGATTF-ZYHUDNBSSA-N 1 1 322.340 1.435 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000275198949 212190333 /nfs/dbraw/zinc/19/03/33/212190333.db2.gz HFMZLVOXVDPIGJ-UHFFFAOYSA-N 1 1 302.334 1.899 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](CC)CN1C(C)=O ZINC000350487491 284205563 /nfs/dbraw/zinc/20/55/63/284205563.db2.gz ZNBBBRJACONNRB-ZIAGYGMSSA-N 1 1 323.397 1.513 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](CC)CN1C(C)=O ZINC000350487491 284205565 /nfs/dbraw/zinc/20/55/65/284205565.db2.gz ZNBBBRJACONNRB-ZIAGYGMSSA-N 1 1 323.397 1.513 20 5 DDBDMO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000264672160 204069213 /nfs/dbraw/zinc/06/92/13/204069213.db2.gz WWZKVJYWOFZCLG-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C)C1=O ZINC000282470142 217020442 /nfs/dbraw/zinc/02/04/42/217020442.db2.gz KPMVLZVXVTYAIC-ZDUSSCGKSA-N 1 1 305.334 1.564 20 5 DDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C)C1=O ZINC000282470142 217020443 /nfs/dbraw/zinc/02/04/43/217020443.db2.gz KPMVLZVXVTYAIC-ZDUSSCGKSA-N 1 1 305.334 1.564 20 5 DDBDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282685232 217175732 /nfs/dbraw/zinc/17/57/32/217175732.db2.gz NSTFAKWRKRZKIM-UHFFFAOYSA-N 1 1 322.365 1.367 20 5 DDBDMO COc1ccccc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266406676 205323712 /nfs/dbraw/zinc/32/37/12/205323712.db2.gz FXJNJFMBGAIFIZ-CQSZACIVSA-N 1 1 320.349 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288490007 220175092 /nfs/dbraw/zinc/17/50/92/220175092.db2.gz ROIRPQDEJWBKOD-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408556 218015817 /nfs/dbraw/zinc/01/58/17/218015817.db2.gz NUHFCYSEFFQDDC-SDBXPKJASA-N 1 1 322.340 1.529 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104747481 194034010 /nfs/dbraw/zinc/03/40/10/194034010.db2.gz SZGLRKYDHLVHDU-NSHDSACASA-N 1 1 313.379 1.167 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104831906 194044596 /nfs/dbraw/zinc/04/45/96/194044596.db2.gz LIDJXVVKQQSYNO-NSHDSACASA-N 1 1 306.366 1.700 20 5 DDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284739779 218155993 /nfs/dbraw/zinc/15/59/93/218155993.db2.gz KUCWSWWEFRROMB-UFBFGSQYSA-N 1 1 308.294 1.117 20 5 DDBDMO CCOC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000338785994 250135466 /nfs/dbraw/zinc/13/54/66/250135466.db2.gz BSWBUUQZLZBBHT-UHFFFAOYSA-N 1 1 324.333 1.846 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000338785994 250135471 /nfs/dbraw/zinc/13/54/71/250135471.db2.gz BSWBUUQZLZBBHT-UHFFFAOYSA-N 1 1 324.333 1.846 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000109620155 194277861 /nfs/dbraw/zinc/27/78/61/194277861.db2.gz UPMFSWGECRFXRM-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000268999678 207155618 /nfs/dbraw/zinc/15/56/18/207155618.db2.gz UJVPTOPOFJQHKQ-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000341004211 251329716 /nfs/dbraw/zinc/32/97/16/251329716.db2.gz AMLIPNGNJFPAGQ-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000341004211 251329718 /nfs/dbraw/zinc/32/97/18/251329718.db2.gz AMLIPNGNJFPAGQ-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000159170416 197333246 /nfs/dbraw/zinc/33/32/46/197333246.db2.gz VHLVJAIBXNFLII-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[N@H+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000159170416 197333248 /nfs/dbraw/zinc/33/32/48/197333248.db2.gz VHLVJAIBXNFLII-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000159170416 197333250 /nfs/dbraw/zinc/33/32/50/197333250.db2.gz VHLVJAIBXNFLII-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000154925230 197005944 /nfs/dbraw/zinc/00/59/44/197005944.db2.gz IYGCODNEPSMXDP-NSHDSACASA-N 1 1 323.397 1.948 20 5 DDBDMO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000154925230 197005946 /nfs/dbraw/zinc/00/59/46/197005946.db2.gz IYGCODNEPSMXDP-NSHDSACASA-N 1 1 323.397 1.948 20 5 DDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000154925230 197005948 /nfs/dbraw/zinc/00/59/48/197005948.db2.gz IYGCODNEPSMXDP-NSHDSACASA-N 1 1 323.397 1.948 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1(F)F ZINC000289664187 221138375 /nfs/dbraw/zinc/13/83/75/221138375.db2.gz FNCAMXUEVXLLEI-JTQLQIEISA-N 1 1 301.293 1.734 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000568646885 304303991 /nfs/dbraw/zinc/30/39/91/304303991.db2.gz KZWVLHYPJSESNW-LBPRGKRZSA-N 1 1 305.338 1.166 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026918304 406906641 /nfs/dbraw/zinc/90/66/41/406906641.db2.gz APJMGUJXNYBSGH-UHFFFAOYSA-N 1 1 304.262 1.467 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076345441 406964096 /nfs/dbraw/zinc/96/40/96/406964096.db2.gz NMZBZPAPDWCOTL-DZGCQCFKSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000077368709 406986266 /nfs/dbraw/zinc/98/62/66/406986266.db2.gz UJCROWLDZBLADJ-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000077368709 406986269 /nfs/dbraw/zinc/98/62/69/406986269.db2.gz UJCROWLDZBLADJ-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000053403975 407168675 /nfs/dbraw/zinc/16/86/75/407168675.db2.gz UYKFXYZSVLTIPU-GFCCVEGCSA-N 1 1 323.397 1.418 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124500761 407359979 /nfs/dbraw/zinc/35/99/79/407359979.db2.gz YZFCDLXBUMBENU-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000106884149 407364748 /nfs/dbraw/zinc/36/47/48/407364748.db2.gz PJUANTUIJQVJGO-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000124773090 407369469 /nfs/dbraw/zinc/36/94/69/407369469.db2.gz CBPKZDJZEXYWCN-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000124773090 407369471 /nfs/dbraw/zinc/36/94/71/407369471.db2.gz CBPKZDJZEXYWCN-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccco1 ZINC000124806252 407370159 /nfs/dbraw/zinc/37/01/59/407370159.db2.gz OSWSKHMMASNORW-LLVKDONJSA-N 1 1 320.305 1.321 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125223884 407382010 /nfs/dbraw/zinc/38/20/10/407382010.db2.gz IUDPJRCCILMRBC-UONOGXRCSA-N 1 1 319.409 1.960 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000111268394 407404337 /nfs/dbraw/zinc/40/43/37/407404337.db2.gz SRIISTRUSFWPRN-LLVKDONJSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126468918 407413771 /nfs/dbraw/zinc/41/37/71/407413771.db2.gz LLGLWCJQYKMWLV-PRWKNARSSA-N 1 1 300.380 1.672 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185820226 407510648 /nfs/dbraw/zinc/51/06/48/407510648.db2.gz QTDXWVQKRDJVPU-WPRPVWTQSA-N 1 1 306.322 1.050 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170809393 407511834 /nfs/dbraw/zinc/51/18/34/407511834.db2.gz SQYLJKVUPSKUAM-GFCCVEGCSA-N 1 1 322.365 1.139 20 5 DDBDMO C[NH+](C)C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000114148407 407545165 /nfs/dbraw/zinc/54/51/65/407545165.db2.gz ITIASNJQADYCOP-JTQLQIEISA-N 1 1 317.349 1.495 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCN1CCOCC1)C2 ZINC000153121131 407760057 /nfs/dbraw/zinc/76/00/57/407760057.db2.gz DMPYUVGQQSPXON-UHFFFAOYSA-N 1 1 305.378 1.675 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000171809881 407771894 /nfs/dbraw/zinc/77/18/94/407771894.db2.gz QTQCYLXWQRNVGB-UHFFFAOYSA-N 1 1 309.370 1.485 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191744 407773375 /nfs/dbraw/zinc/77/33/75/407773375.db2.gz WWPGNGLGERCYGL-MFKMUULPSA-N 1 1 307.350 1.429 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000272209568 407818180 /nfs/dbraw/zinc/81/81/80/407818180.db2.gz PXRNYWMHVZGYGQ-ZJUUUORDSA-N 1 1 307.379 1.834 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000133327244 407828989 /nfs/dbraw/zinc/82/89/89/407828989.db2.gz BGMPYHBUFKTADF-BXUZGUMPSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000133327244 407828995 /nfs/dbraw/zinc/82/89/95/407828995.db2.gz BGMPYHBUFKTADF-BXUZGUMPSA-N 1 1 322.365 1.113 20 5 DDBDMO Cc1c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796536 407872635 /nfs/dbraw/zinc/87/26/35/407872635.db2.gz ZJVYPMFOOOKJHT-DOMZBBRYSA-N 1 1 321.377 1.281 20 5 DDBDMO Cc1c(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796536 407872642 /nfs/dbraw/zinc/87/26/42/407872642.db2.gz ZJVYPMFOOOKJHT-DOMZBBRYSA-N 1 1 321.377 1.281 20 5 DDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)C(F)(F)F ZINC000189476139 408029690 /nfs/dbraw/zinc/02/96/90/408029690.db2.gz BUADHIKBPRBBMN-SNVBAGLBSA-N 1 1 323.271 1.002 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)C(F)(F)F ZINC000189476139 408029697 /nfs/dbraw/zinc/02/96/97/408029697.db2.gz BUADHIKBPRBBMN-SNVBAGLBSA-N 1 1 323.271 1.002 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(CCC)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000154414949 408033516 /nfs/dbraw/zinc/03/35/16/408033516.db2.gz QFHGWUZIZICPIY-UHFFFAOYSA-N 1 1 311.386 1.684 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171010 408085530 /nfs/dbraw/zinc/08/55/30/408085530.db2.gz KNVDZKVPTDSYKV-CFVMTHIKSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccs3)CC2)n1 ZINC000121370446 408193791 /nfs/dbraw/zinc/19/37/91/408193791.db2.gz AUBNZVFRWVXDIR-UHFFFAOYSA-N 1 1 307.379 1.675 20 5 DDBDMO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000189897500 408132906 /nfs/dbraw/zinc/13/29/06/408132906.db2.gz YCGGCAVWBMVKGD-ZDUSSCGKSA-N 1 1 307.394 1.872 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000175454083 408133762 /nfs/dbraw/zinc/13/37/62/408133762.db2.gz IHLHTXDICUVUHM-UHFFFAOYSA-N 1 1 308.382 1.947 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729275 408189484 /nfs/dbraw/zinc/18/94/84/408189484.db2.gz BYCCSKXKZZMPGR-BDAKNGLRSA-N 1 1 307.354 1.235 20 5 DDBDMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000150720619 408192358 /nfs/dbraw/zinc/19/23/58/408192358.db2.gz IQBUOGWEEOHKFQ-CYBMUJFWSA-N 1 1 321.377 1.222 20 5 DDBDMO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]2N1 ZINC000246405744 408247586 /nfs/dbraw/zinc/24/75/86/408247586.db2.gz BTXKYAHKVXEELQ-HUUCEWRRSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]2N1 ZINC000246405744 408247594 /nfs/dbraw/zinc/24/75/94/408247594.db2.gz BTXKYAHKVXEELQ-HUUCEWRRSA-N 1 1 303.362 1.880 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000246425176 408251680 /nfs/dbraw/zinc/25/16/80/408251680.db2.gz IIQRPQSOFIXUDC-IVMMDQJWSA-N 1 1 324.377 1.427 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263666831 408199165 /nfs/dbraw/zinc/19/91/65/408199165.db2.gz LCJKLHUCUXTDBR-MNOVXSKESA-N 1 1 323.397 1.731 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000263801187 408265105 /nfs/dbraw/zinc/26/51/05/408265105.db2.gz STCPGTSYFABXKM-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO Cc1nn(CCC(=O)NCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000263712911 408220006 /nfs/dbraw/zinc/22/00/06/408220006.db2.gz AOLJPAZLWMFYLF-UHFFFAOYSA-N 1 1 320.353 1.120 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176195745 408307403 /nfs/dbraw/zinc/30/74/03/408307403.db2.gz QVWZSQPYKNTNCQ-UHFFFAOYSA-N 1 1 320.349 1.811 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000173803693 162366461 /nfs/dbraw/zinc/36/64/61/162366461.db2.gz BUUVMMPNHJUKBP-AWEZNQCLSA-N 1 1 308.382 1.808 20 5 DDBDMO C[N@@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000183582940 408447245 /nfs/dbraw/zinc/44/72/45/408447245.db2.gz FMZUZWLLAWCHDY-UHFFFAOYSA-N 1 1 307.354 1.986 20 5 DDBDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1C ZINC000183364837 408391074 /nfs/dbraw/zinc/39/10/74/408391074.db2.gz DGMNLZZLNSFPHB-SECBINFHSA-N 1 1 317.349 1.586 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183569953 408441851 /nfs/dbraw/zinc/44/18/51/408441851.db2.gz GLEJFVNLDVQJMQ-UHFFFAOYSA-N 1 1 311.342 1.080 20 5 DDBDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000274861409 408557589 /nfs/dbraw/zinc/55/75/89/408557589.db2.gz ZDQBSRZCUHXKPS-CYBMUJFWSA-N 1 1 321.381 1.271 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457080 408572157 /nfs/dbraw/zinc/57/21/57/408572157.db2.gz MCVMPSLBXVRTED-FRRDWIJNSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457080 408572161 /nfs/dbraw/zinc/57/21/61/408572161.db2.gz MCVMPSLBXVRTED-FRRDWIJNSA-N 1 1 310.350 1.444 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000160874135 408534428 /nfs/dbraw/zinc/53/44/28/408534428.db2.gz AOMQAEYXTOARRG-RKDXNWHRSA-N 1 1 303.322 1.471 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270763342 408671600 /nfs/dbraw/zinc/67/16/00/408671600.db2.gz NHDQNSUDHZQBON-LLVKDONJSA-N 1 1 323.397 1.569 20 5 DDBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1CCOC ZINC000192517584 408603931 /nfs/dbraw/zinc/60/39/31/408603931.db2.gz QTVJZQOVWAHUQW-NSHDSACASA-N 1 1 314.411 1.988 20 5 DDBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1CCOC ZINC000192517584 408603935 /nfs/dbraw/zinc/60/39/35/408603935.db2.gz QTVJZQOVWAHUQW-NSHDSACASA-N 1 1 314.411 1.988 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@H+]1C1CC1 ZINC000184486878 408627467 /nfs/dbraw/zinc/62/74/67/408627467.db2.gz NHFFPKODVWPKTA-UWVGGRQHSA-N 1 1 304.350 1.532 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000161979143 408657902 /nfs/dbraw/zinc/65/79/02/408657902.db2.gz UEKXWSFNNVYELS-CYBMUJFWSA-N 1 1 323.397 1.562 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCC2)c2c(c1)COCO2 ZINC000275912896 408716204 /nfs/dbraw/zinc/71/62/04/408716204.db2.gz XPSXLRDRRMELEG-UHFFFAOYSA-N 1 1 308.334 1.808 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000270839071 408702489 /nfs/dbraw/zinc/70/24/89/408702489.db2.gz DUBCZFTUOQZMBS-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000250046720 408774047 /nfs/dbraw/zinc/77/40/47/408774047.db2.gz CXIGFPVFGCSJGP-DZGCQCFKSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250945557 408779687 /nfs/dbraw/zinc/77/96/87/408779687.db2.gz BPBNUZPXEYORQG-KBPBESRZSA-N 1 1 319.361 1.496 20 5 DDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285746211 408855544 /nfs/dbraw/zinc/85/55/44/408855544.db2.gz HJXCSRZJABAVCB-MNOVXSKESA-N 1 1 321.381 1.701 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285780973 408863167 /nfs/dbraw/zinc/86/31/67/408863167.db2.gz NAVAKFBQSMKVFV-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291624209 408896342 /nfs/dbraw/zinc/89/63/42/408896342.db2.gz CWUHZYBOZLTKIO-NSHDSACASA-N 1 1 316.304 1.923 20 5 DDBDMO COCC(C)(C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292116370 408983367 /nfs/dbraw/zinc/98/33/67/408983367.db2.gz JPVPSYGKEPTJSF-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO COCC(C)(C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292116370 408983369 /nfs/dbraw/zinc/98/33/69/408983369.db2.gz JPVPSYGKEPTJSF-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO CC[N@@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000282187780 409006758 /nfs/dbraw/zinc/00/67/58/409006758.db2.gz WJJHPSNWODJGFE-UHFFFAOYSA-N 1 1 309.322 1.567 20 5 DDBDMO O=C(CC[N@@H+]1CCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282193603 409008412 /nfs/dbraw/zinc/00/84/12/409008412.db2.gz BQTMJDQOCNJXHS-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293248254 409074860 /nfs/dbraw/zinc/07/48/60/409074860.db2.gz BKFAUHWOPHATJM-ZDUSSCGKSA-N 1 1 321.425 1.465 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000278811811 409093009 /nfs/dbraw/zinc/09/30/09/409093009.db2.gz OPSCMGPOXAVDLG-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283219419 409113863 /nfs/dbraw/zinc/11/38/63/409113863.db2.gz SESKLKPGKOQQLF-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1COC[C@H]1O ZINC000293485405 409122798 /nfs/dbraw/zinc/12/27/98/409122798.db2.gz GDTHDUPFQOHNEI-VXGBXAGGSA-N 1 1 320.267 1.805 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1COC[C@H]1O ZINC000293485405 409122800 /nfs/dbraw/zinc/12/28/00/409122800.db2.gz GDTHDUPFQOHNEI-VXGBXAGGSA-N 1 1 320.267 1.805 20 5 DDBDMO Cc1cc(N(C)CCC[N@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000289214387 409234364 /nfs/dbraw/zinc/23/43/64/409234364.db2.gz YQXSFDQUSPLJON-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1cc(N(C)CCCN(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000289214387 409234366 /nfs/dbraw/zinc/23/43/66/409234366.db2.gz YQXSFDQUSPLJON-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000295099030 409319708 /nfs/dbraw/zinc/31/97/08/409319708.db2.gz KDAAVTVPAJMUMW-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295240933 409394103 /nfs/dbraw/zinc/39/41/03/409394103.db2.gz PCNFOQOTHCRVEJ-LBPRGKRZSA-N 1 1 301.343 1.738 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280536478 409347077 /nfs/dbraw/zinc/34/70/77/409347077.db2.gz PINDOXLJMZUDAN-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280536478 409347083 /nfs/dbraw/zinc/34/70/83/409347083.db2.gz PINDOXLJMZUDAN-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000295268648 409406973 /nfs/dbraw/zinc/40/69/73/409406973.db2.gz GQWAHMGUYWWICI-GFCCVEGCSA-N 1 1 321.381 1.124 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295281812 409412370 /nfs/dbraw/zinc/41/23/70/409412370.db2.gz DACTUVICCOTKAH-GJZGRUSLSA-N 1 1 309.341 1.639 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280750015 409436265 /nfs/dbraw/zinc/43/62/65/409436265.db2.gz NFEPVVZUZCMBAC-BMIGLBTASA-N 1 1 320.349 1.119 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccnc2)cc1 ZINC000342349227 164083886 /nfs/dbraw/zinc/08/38/86/164083886.db2.gz WMDABBKHCITJJI-UHFFFAOYSA-N 1 1 321.358 1.553 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182340 164253684 /nfs/dbraw/zinc/25/36/84/164253684.db2.gz JJSXAAJFPIDZKI-VXGBXAGGSA-N 1 1 306.366 1.632 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000303047225 409530261 /nfs/dbraw/zinc/53/02/61/409530261.db2.gz WXFJIQWSDCGWCJ-VXGBXAGGSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000303047225 409530271 /nfs/dbraw/zinc/53/02/71/409530271.db2.gz WXFJIQWSDCGWCJ-VXGBXAGGSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297145229 409824130 /nfs/dbraw/zinc/82/41/30/409824130.db2.gz RCCGTVRSJASVEK-UHFFFAOYSA-N 1 1 316.317 1.390 20 5 DDBDMO CCOC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342717943 409841709 /nfs/dbraw/zinc/84/17/09/409841709.db2.gz DWZMWYDIWBSMDC-GFCCVEGCSA-N 1 1 322.365 1.819 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332028732 409818872 /nfs/dbraw/zinc/81/88/72/409818872.db2.gz HUPLBMUBCXJNJY-GJZGRUSLSA-N 1 1 303.362 1.880 20 5 DDBDMO CNc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000317348115 409867286 /nfs/dbraw/zinc/86/72/86/409867286.db2.gz DUGCRXKJKYENGM-GFCCVEGCSA-N 1 1 306.366 1.803 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229194 409871173 /nfs/dbraw/zinc/87/11/73/409871173.db2.gz ROXQSCVDGWXFEA-SDDRHHMPSA-N 1 1 307.350 1.990 20 5 DDBDMO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000324104444 409924042 /nfs/dbraw/zinc/92/40/42/409924042.db2.gz CZIJQSNCNPJHSY-BETUJISGSA-N 1 1 318.377 1.465 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000332238076 410003873 /nfs/dbraw/zinc/00/38/73/410003873.db2.gz HQWZMQHBXGCXIT-CHWSQXEVSA-N 1 1 319.361 1.960 20 5 DDBDMO COC(=O)c1cnc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000357547950 410096130 /nfs/dbraw/zinc/09/61/30/410096130.db2.gz NRVRHVRJVRESIW-JTQLQIEISA-N 1 1 310.354 1.917 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000298650405 410331029 /nfs/dbraw/zinc/33/10/29/410331029.db2.gz YBKBZFDMGJWLAV-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CO)C1 ZINC000298650405 410331037 /nfs/dbraw/zinc/33/10/37/410331037.db2.gz YBKBZFDMGJWLAV-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000352213518 410550716 /nfs/dbraw/zinc/55/07/16/410550716.db2.gz VLDKBLMWHVLCCR-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000352213518 410550720 /nfs/dbraw/zinc/55/07/20/410550720.db2.gz VLDKBLMWHVLCCR-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO COc1c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000355639642 410622560 /nfs/dbraw/zinc/62/25/60/410622560.db2.gz ZGEHRGSFXXCANR-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507760 410732232 /nfs/dbraw/zinc/73/22/32/410732232.db2.gz HMLKTWVJQWVXJL-OLZOCXBDSA-N 1 1 323.393 1.885 20 5 DDBDMO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761720 410678556 /nfs/dbraw/zinc/67/85/56/410678556.db2.gz SVXYYAOUBPXEOD-BBRMVZONSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761720 410678562 /nfs/dbraw/zinc/67/85/62/410678562.db2.gz SVXYYAOUBPXEOD-BBRMVZONSA-N 1 1 324.377 1.691 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330602656 410816755 /nfs/dbraw/zinc/81/67/55/410816755.db2.gz WUJUJFGIEFRVGN-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000301692304 410772335 /nfs/dbraw/zinc/77/23/35/410772335.db2.gz ZDGNQSLMJRHHPY-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330602656 410816760 /nfs/dbraw/zinc/81/67/60/410816760.db2.gz WUJUJFGIEFRVGN-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000301943195 410832961 /nfs/dbraw/zinc/83/29/61/410832961.db2.gz XYMNQXUWVUXUFE-GXTWGEPZSA-N 1 1 311.313 1.262 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000330677818 410869685 /nfs/dbraw/zinc/86/96/85/410869685.db2.gz VSIMBSWOWKIZSH-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000341149655 410896251 /nfs/dbraw/zinc/89/62/51/410896251.db2.gz UIZGBRUZJXSNFZ-LLVKDONJSA-N 1 1 306.370 2.170 20 5 DDBDMO COc1ccc([C@H](CCO)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341229085 410953772 /nfs/dbraw/zinc/95/37/72/410953772.db2.gz OIZKZJSQXCNCGB-ZDUSSCGKSA-N 1 1 320.349 1.550 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353474767 411012997 /nfs/dbraw/zinc/01/29/97/411012997.db2.gz WIYNFRRKQXMRKW-CYBMUJFWSA-N 1 1 310.350 1.181 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360137189 411068077 /nfs/dbraw/zinc/06/80/77/411068077.db2.gz YQXJKAZAERFWMC-LBPRGKRZSA-N 1 1 323.349 1.514 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CO)C1 ZINC000348568596 411021370 /nfs/dbraw/zinc/02/13/70/411021370.db2.gz CDHHQECVRZDVKG-LLVKDONJSA-N 1 1 321.333 1.207 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331216887 411022190 /nfs/dbraw/zinc/02/21/90/411022190.db2.gz PVNYOXLRRUJJDD-VHSXEESVSA-N 1 1 309.370 1.654 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353497802 411030871 /nfs/dbraw/zinc/03/08/71/411030871.db2.gz SYHOGUYNNFSQAX-VOMCLLRMSA-N 1 1 307.350 1.685 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353497802 411030877 /nfs/dbraw/zinc/03/08/77/411030877.db2.gz SYHOGUYNNFSQAX-VOMCLLRMSA-N 1 1 307.350 1.685 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339321899 306735822 /nfs/dbraw/zinc/73/58/22/306735822.db2.gz RKRPNULOVPSKQG-MELADBBJSA-N 1 1 324.377 1.752 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361075670 418578085 /nfs/dbraw/zinc/57/80/85/418578085.db2.gz CQBZEACTWVTGIC-WDEREUQCSA-N 1 1 306.366 1.849 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375011467 418587617 /nfs/dbraw/zinc/58/76/17/418587617.db2.gz FZGIKRQOISLMBE-UONOGXRCSA-N 1 1 308.382 1.930 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000361563859 418678827 /nfs/dbraw/zinc/67/88/27/418678827.db2.gz LMIMPQYUSNQCTM-WCQYABFASA-N 1 1 310.350 1.575 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000361662032 418697364 /nfs/dbraw/zinc/69/73/64/418697364.db2.gz PFSWXKMPMJJOFV-ZYHUDNBSSA-N 1 1 310.350 1.672 20 5 DDBDMO Cn1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707609 418699810 /nfs/dbraw/zinc/69/98/10/418699810.db2.gz WMAVSOZLDNEYQR-NWDGAFQWSA-N 1 1 306.366 1.490 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000371446958 418791958 /nfs/dbraw/zinc/79/19/58/418791958.db2.gz IENKFCGEZMSPCE-CHWSQXEVSA-N 1 1 308.382 1.967 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924584 418822941 /nfs/dbraw/zinc/82/29/41/418822941.db2.gz AXJYWWQSPNTYKW-CFVMTHIKSA-N 1 1 303.362 1.723 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000372352673 418860478 /nfs/dbraw/zinc/86/04/78/418860478.db2.gz ZYEKAFWAMKQYQB-KBPBESRZSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H]1CCC[N@H+]1C ZINC000421009411 419445771 /nfs/dbraw/zinc/44/57/71/419445771.db2.gz QAXQJPDJGVWYRK-IUODEOHRSA-N 1 1 320.393 1.948 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411960195 419521531 /nfs/dbraw/zinc/52/15/31/419521531.db2.gz WDWPQENLZYTWEA-SNVBAGLBSA-N 1 1 317.349 1.381 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411960195 419521540 /nfs/dbraw/zinc/52/15/40/419521540.db2.gz WDWPQENLZYTWEA-SNVBAGLBSA-N 1 1 317.349 1.381 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(N(C)C)c2)n1 ZINC000427368741 419645899 /nfs/dbraw/zinc/64/58/99/419645899.db2.gz ZDFUVBNGXPESAM-UHFFFAOYSA-N 1 1 304.310 1.525 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000427708105 419718420 /nfs/dbraw/zinc/71/84/20/419718420.db2.gz WBYBKPDREIAPCB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000427708105 419718428 /nfs/dbraw/zinc/71/84/28/419718428.db2.gz WBYBKPDREIAPCB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000416298474 420316031 /nfs/dbraw/zinc/31/60/31/420316031.db2.gz QXAOPILEGCUHOQ-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000416298474 420316034 /nfs/dbraw/zinc/31/60/34/420316034.db2.gz QXAOPILEGCUHOQ-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCC[NH+]1CCSCC1 ZINC000420593367 420325211 /nfs/dbraw/zinc/32/52/11/420325211.db2.gz BQQMPEYJGPFCAA-UHFFFAOYSA-N 1 1 310.379 1.154 20 5 DDBDMO CCCNC(=O)C1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC000440390676 420572681 /nfs/dbraw/zinc/57/26/81/420572681.db2.gz ZKYZAKJOCDRJEG-UHFFFAOYSA-N 1 1 323.397 1.647 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000454193273 420813476 /nfs/dbraw/zinc/81/34/76/420813476.db2.gz CWAVEDHXUFVNSU-LLVKDONJSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000454193273 420813478 /nfs/dbraw/zinc/81/34/78/420813478.db2.gz CWAVEDHXUFVNSU-LLVKDONJSA-N 1 1 322.365 1.434 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCCC1 ZINC000449093011 420948068 /nfs/dbraw/zinc/94/80/68/420948068.db2.gz NUYUDQLDHRTGPJ-HIFRSBDPSA-N 1 1 307.394 1.572 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCC1 ZINC000449093011 420948071 /nfs/dbraw/zinc/94/80/71/420948071.db2.gz NUYUDQLDHRTGPJ-HIFRSBDPSA-N 1 1 307.394 1.572 20 5 DDBDMO CNc1nc(C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000455387245 421005360 /nfs/dbraw/zinc/00/53/60/421005360.db2.gz IHUIRKKCGMKGJH-UHFFFAOYSA-N 1 1 321.381 1.588 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488767290 421114909 /nfs/dbraw/zinc/11/49/09/421114909.db2.gz VTVTVGZCRIXWSI-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488767290 421114913 /nfs/dbraw/zinc/11/49/13/421114913.db2.gz VTVTVGZCRIXWSI-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000489333272 421146875 /nfs/dbraw/zinc/14/68/75/421146875.db2.gz GHHHQAAQLOGCRE-CYBMUJFWSA-N 1 1 324.356 1.728 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525805300 421302571 /nfs/dbraw/zinc/30/25/71/421302571.db2.gz KFCSYMZHRNAVHR-JTQLQIEISA-N 1 1 321.333 1.395 20 5 DDBDMO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000548058508 421394945 /nfs/dbraw/zinc/39/49/45/421394945.db2.gz RIADYHQBPWQEQU-QWRGUYRKSA-N 1 1 321.381 1.422 20 5 DDBDMO Cn1nccc1[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873870 421463344 /nfs/dbraw/zinc/46/33/44/421463344.db2.gz YYGNUXSJHKYICJ-QWHCGFSZSA-N 1 1 302.334 1.639 20 5 DDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000570474794 421646932 /nfs/dbraw/zinc/64/69/32/421646932.db2.gz BTTQFYAGXNHYES-AWEZNQCLSA-N 1 1 319.361 1.187 20 5 DDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000570474794 421646935 /nfs/dbraw/zinc/64/69/35/421646935.db2.gz BTTQFYAGXNHYES-AWEZNQCLSA-N 1 1 319.361 1.187 20 5 DDBDMO O=C1NCC[C@H]1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571893062 421750068 /nfs/dbraw/zinc/75/00/68/421750068.db2.gz NQFDDMQGMSTPKE-NSHDSACASA-N 1 1 305.334 1.315 20 5 DDBDMO O=C1NCC[C@H]1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571893062 421750071 /nfs/dbraw/zinc/75/00/71/421750071.db2.gz NQFDDMQGMSTPKE-NSHDSACASA-N 1 1 305.334 1.315 20 5 DDBDMO COc1ccc(CC(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000540542772 421766091 /nfs/dbraw/zinc/76/60/91/421766091.db2.gz KLSRBHYODQDTHZ-UHFFFAOYSA-N 1 1 319.361 1.524 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576595433 422376335 /nfs/dbraw/zinc/37/63/35/422376335.db2.gz LBZFSGVJVDGOMG-NSHDSACASA-N 1 1 321.381 1.636 20 5 DDBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000577294250 422383941 /nfs/dbraw/zinc/38/39/41/422383941.db2.gz MGMOGRLPXSVXFO-WDEREUQCSA-N 1 1 321.381 1.565 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142272 422450713 /nfs/dbraw/zinc/45/07/13/422450713.db2.gz JHXCEXLEYVBUNO-PHIMTYICSA-N 1 1 321.381 1.586 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342099182 271297064 /nfs/dbraw/zinc/29/70/64/271297064.db2.gz SXEGWLUYZOLEJK-LLVKDONJSA-N 1 1 324.356 1.733 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000342221776 271345036 /nfs/dbraw/zinc/34/50/36/271345036.db2.gz DBMDCQFEXLCDPX-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO CN1CCNC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522046 277116157 /nfs/dbraw/zinc/11/61/57/277116157.db2.gz RENADVVNARJTTA-CJNGLKHVSA-N 1 1 318.421 1.810 20 5 DDBDMO Cc1nc(N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301641299 293294600 /nfs/dbraw/zinc/29/46/00/293294600.db2.gz GPVUYYWKAYDYLS-AWEZNQCLSA-N 1 1 320.393 1.989 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000354004236 298335903 /nfs/dbraw/zinc/33/59/03/298335903.db2.gz AVVLAZXEDVEDSC-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000368590606 301060203 /nfs/dbraw/zinc/06/02/03/301060203.db2.gz KZNRBRWFFIZYPJ-ABAIWWIYSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019113 301119811 /nfs/dbraw/zinc/11/98/11/301119811.db2.gz OATBYQUDBBHFCH-JQWIXIFHSA-N 1 1 307.354 1.095 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019113 301119815 /nfs/dbraw/zinc/11/98/15/301119815.db2.gz OATBYQUDBBHFCH-JQWIXIFHSA-N 1 1 307.354 1.095 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353099 301170215 /nfs/dbraw/zinc/17/02/15/301170215.db2.gz BLYCICCETVHSGG-KRWDZBQOSA-N 1 1 318.421 1.807 20 5 DDBDMO O=C1CCCCN1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370025039 301260574 /nfs/dbraw/zinc/26/05/74/301260574.db2.gz CFGITGFRIBQGQC-ZDUSSCGKSA-N 1 1 321.381 1.268 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000370217829 301296139 /nfs/dbraw/zinc/29/61/39/301296139.db2.gz BQENGVXURUUPII-ARFHVFGLSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000370217829 301296143 /nfs/dbraw/zinc/29/61/43/301296143.db2.gz BQENGVXURUUPII-ARFHVFGLSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000370217829 301296146 /nfs/dbraw/zinc/29/61/46/301296146.db2.gz BQENGVXURUUPII-ARFHVFGLSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468633 302182141 /nfs/dbraw/zinc/18/21/41/302182141.db2.gz CIDNPQDIYJATOW-KGLIPLIRSA-N 1 1 305.334 1.188 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254135 307015700 /nfs/dbraw/zinc/01/57/00/307015700.db2.gz BOCBYPWNTBCYJH-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO C=Cn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000365336546 307065207 /nfs/dbraw/zinc/06/52/07/307065207.db2.gz JMPIHJFSYYSYGP-CYBMUJFWSA-N 1 1 302.338 1.925 20 5 DDBDMO C=Cn1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000365336546 307065208 /nfs/dbraw/zinc/06/52/08/307065208.db2.gz JMPIHJFSYYSYGP-CYBMUJFWSA-N 1 1 302.338 1.925 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000368615213 307106461 /nfs/dbraw/zinc/10/64/61/307106461.db2.gz UBACVBSOXWMGML-AXFHLTTASA-N 1 1 321.381 1.470 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H](O)C4(CC4)C3)o2)cc1 ZINC000368799545 307110266 /nfs/dbraw/zinc/11/02/66/307110266.db2.gz JKAZVNSYKJGBGF-LBPRGKRZSA-N 1 1 316.317 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@H](O)C4(CC4)C3)o2)cc1 ZINC000368799545 307110267 /nfs/dbraw/zinc/11/02/67/307110267.db2.gz JKAZVNSYKJGBGF-LBPRGKRZSA-N 1 1 316.317 1.602 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929737 307112925 /nfs/dbraw/zinc/11/29/25/307112925.db2.gz IUUBTYVEHXKFDL-KGLIPLIRSA-N 1 1 304.350 1.174 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372086655 307162946 /nfs/dbraw/zinc/16/29/46/307162946.db2.gz NQSCZDULLJSWJT-LBPRGKRZSA-N 1 1 321.381 1.267 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000377217217 307266422 /nfs/dbraw/zinc/26/64/22/307266422.db2.gz XRMNYRMIIGWGKR-CYBMUJFWSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000377217217 307266423 /nfs/dbraw/zinc/26/64/23/307266423.db2.gz XRMNYRMIIGWGKR-CYBMUJFWSA-N 1 1 303.322 1.642 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169270 308022809 /nfs/dbraw/zinc/02/28/09/308022809.db2.gz GBXMZLOQTJFXNC-WFASDCNBSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000565169270 308022810 /nfs/dbraw/zinc/02/28/10/308022810.db2.gz GBXMZLOQTJFXNC-WFASDCNBSA-N 1 1 311.382 1.185 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncccc3O)C2)nc1 ZINC000565976312 308039892 /nfs/dbraw/zinc/03/98/92/308039892.db2.gz AWDCFFKUPHWXLH-LLVKDONJSA-N 1 1 315.333 1.777 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000570164201 308161054 /nfs/dbraw/zinc/16/10/54/308161054.db2.gz CILKVBRRBHDTGT-LLVKDONJSA-N 1 1 321.381 1.211 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000570644135 308175230 /nfs/dbraw/zinc/17/52/30/308175230.db2.gz BCEVTRBGVIIHOO-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576358566 308309812 /nfs/dbraw/zinc/30/98/12/308309812.db2.gz AKJGRMXNJUFPTC-UHFFFAOYSA-N 1 1 304.306 1.295 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000582713096 337123949 /nfs/dbraw/zinc/12/39/49/337123949.db2.gz ZOVHOCBLZKMOFV-CQSZACIVSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000582713096 337123950 /nfs/dbraw/zinc/12/39/50/337123950.db2.gz ZOVHOCBLZKMOFV-CQSZACIVSA-N 1 1 314.345 1.664 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452132178 534480462 /nfs/dbraw/zinc/48/04/62/534480462.db2.gz QKFOHUREBNHZBC-LLVKDONJSA-N 1 1 307.350 1.288 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451341752 534889158 /nfs/dbraw/zinc/88/91/58/534889158.db2.gz LQYRKOANRNAYGL-RRFJBIMHSA-N 1 1 308.382 1.807 20 5 DDBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663732 527530223 /nfs/dbraw/zinc/53/02/23/527530223.db2.gz OSTXSGJXVVBHRF-OLZOCXBDSA-N 1 1 321.381 1.269 20 5 DDBDMO CC1=CC[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302139469 528119677 /nfs/dbraw/zinc/11/96/77/528119677.db2.gz GBQBAHRTQKBANK-UHFFFAOYSA-N 1 1 302.338 1.701 20 5 DDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825465067 607821746 /nfs/dbraw/zinc/82/17/46/607821746.db2.gz HIGFCIVDFCAILP-JTQLQIEISA-N 1 1 317.353 1.305 20 5 DDBDMO CCC[N@@H+](CC)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821095056 606138598 /nfs/dbraw/zinc/13/85/98/606138598.db2.gz WFXSJCRFVVRBTB-UHFFFAOYSA-N 1 1 319.369 1.919 20 5 DDBDMO CCC[N@@H+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821094309 606138715 /nfs/dbraw/zinc/13/87/15/606138715.db2.gz GGBVMFKBZALNFN-UHFFFAOYSA-N 1 1 320.357 1.314 20 5 DDBDMO CCOC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000143129040 696869178 /nfs/dbraw/zinc/86/91/78/696869178.db2.gz OUGAANKZPLWQBW-UHFFFAOYSA-N 1 1 307.350 1.670 20 5 DDBDMO Nc1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000748492958 700121705 /nfs/dbraw/zinc/12/17/05/700121705.db2.gz WZHXTRZBUBZUKD-UHFFFAOYSA-N 1 1 309.322 1.056 20 5 DDBDMO Cc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136674 697015229 /nfs/dbraw/zinc/01/52/29/697015229.db2.gz DNWNZQPKCISOQH-HZPDHXFCSA-N 1 1 317.389 1.695 20 5 DDBDMO Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000981136674 697015232 /nfs/dbraw/zinc/01/52/32/697015232.db2.gz DNWNZQPKCISOQH-HZPDHXFCSA-N 1 1 317.389 1.695 20 5 DDBDMO Cc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000981136674 697015235 /nfs/dbraw/zinc/01/52/35/697015235.db2.gz DNWNZQPKCISOQH-HZPDHXFCSA-N 1 1 317.389 1.695 20 5 DDBDMO C[C@H]1CCC[N@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678500 700176298 /nfs/dbraw/zinc/17/62/98/700176298.db2.gz SRUWIYVQWAKQAH-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678500 700176299 /nfs/dbraw/zinc/17/62/99/700176299.db2.gz SRUWIYVQWAKQAH-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863237 697936393 /nfs/dbraw/zinc/93/63/93/697936393.db2.gz LWUZPEYNYVDTKR-LLVKDONJSA-N 1 1 322.321 1.733 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000775577628 698011191 /nfs/dbraw/zinc/01/11/91/698011191.db2.gz QEKFTLUOSJBKQD-NEPJUHHUSA-N 1 1 307.350 1.493 20 5 DDBDMO CCOCC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273790 698090361 /nfs/dbraw/zinc/09/03/61/698090361.db2.gz AAUASWYTTXHUOX-MRXNPFEDSA-N 1 1 323.393 1.282 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000779865021 698476316 /nfs/dbraw/zinc/47/63/16/698476316.db2.gz KATDFXIVIBALIU-GFCCVEGCSA-N 1 1 304.354 1.355 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000779865021 698476317 /nfs/dbraw/zinc/47/63/17/698476317.db2.gz KATDFXIVIBALIU-GFCCVEGCSA-N 1 1 304.354 1.355 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000783918168 698892656 /nfs/dbraw/zinc/89/26/56/698892656.db2.gz DVGNYPLWAOJAQA-SNVBAGLBSA-N 1 1 309.370 1.655 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000783918166 698892735 /nfs/dbraw/zinc/89/27/35/698892735.db2.gz DVGNYPLWAOJAQA-JTQLQIEISA-N 1 1 309.370 1.655 20 5 DDBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000714243907 699269731 /nfs/dbraw/zinc/26/97/31/699269731.db2.gz POCZSHMBTRAQQZ-XYPYZODXSA-N 1 1 318.782 1.913 20 5 DDBDMO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788762523 699337981 /nfs/dbraw/zinc/33/79/81/699337981.db2.gz HCRNRIOETZDGSD-QMMMGPOBSA-N 1 1 304.306 1.720 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455912 699529166 /nfs/dbraw/zinc/52/91/66/699529166.db2.gz XGRXQMVBAAUZTA-TZMCWYRMSA-N 1 1 323.324 1.327 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000791055284 699609257 /nfs/dbraw/zinc/60/92/57/699609257.db2.gz RHVLJIFRZAPHGS-GFCCVEGCSA-N 1 1 324.356 1.936 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000741750682 699850438 /nfs/dbraw/zinc/85/04/38/699850438.db2.gz XIDFKSCTGCIEME-UHFFFAOYSA-N 1 1 324.337 1.398 20 5 DDBDMO Cc1c[nH+]ccc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759487547 700754421 /nfs/dbraw/zinc/75/44/21/700754421.db2.gz RGOHAMJZBCQSNC-UHFFFAOYSA-N 1 1 307.331 1.662 20 5 DDBDMO C/C(=C\C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721749 700904893 /nfs/dbraw/zinc/90/48/93/700904893.db2.gz NKJAXMPIXPXARU-YHVDPYDOSA-N 1 1 319.361 1.181 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845777 701140911 /nfs/dbraw/zinc/14/09/11/701140911.db2.gz YKKIIYRLIWBMAT-REWMRKHYSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845777 701140914 /nfs/dbraw/zinc/14/09/14/701140914.db2.gz YKKIIYRLIWBMAT-REWMRKHYSA-N 1 1 300.380 1.327 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)COc1ccccc1[N+](=O)[O-] ZINC000771865793 701334798 /nfs/dbraw/zinc/33/47/98/701334798.db2.gz PHXBEIMWOBBBRW-UHFFFAOYSA-N 1 1 305.290 1.722 20 5 DDBDMO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839648738 701765977 /nfs/dbraw/zinc/76/59/77/701765977.db2.gz RASSYBGZPSUVGH-IACUBPJLSA-N 1 1 305.378 1.897 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866073872 706611212 /nfs/dbraw/zinc/61/12/12/706611212.db2.gz UVXIRYYAJSZOAI-PWSUYJOCSA-N 1 1 309.341 1.875 20 5 DDBDMO CC(C)(C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839511 701859451 /nfs/dbraw/zinc/85/94/51/701859451.db2.gz BSOLGBGUNNNJDT-AAEUAGOBSA-N 1 1 322.365 1.696 20 5 DDBDMO C[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982278 701889962 /nfs/dbraw/zinc/88/99/62/701889962.db2.gz CDAARUKHQXQVKT-ABAIWWIYSA-N 1 1 305.334 1.831 20 5 DDBDMO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982278 701889966 /nfs/dbraw/zinc/88/99/66/701889966.db2.gz CDAARUKHQXQVKT-ABAIWWIYSA-N 1 1 305.334 1.831 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000879362335 706661415 /nfs/dbraw/zinc/66/14/15/706661415.db2.gz WCHAWJUTKZOFBA-XJKSGUPXSA-N 1 1 324.377 1.429 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120796 702823915 /nfs/dbraw/zinc/82/39/15/702823915.db2.gz CVDHYRHUPSMAMV-IMMZDGJCSA-N 1 1 316.405 1.588 20 5 DDBDMO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843381313 702870544 /nfs/dbraw/zinc/87/05/44/702870544.db2.gz COWGVPXZSHIONC-OAHLLOKOSA-N 1 1 324.356 1.733 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000843488045 702891568 /nfs/dbraw/zinc/89/15/68/702891568.db2.gz WLUNOSIOCVDWRN-CQSZACIVSA-N 1 1 313.304 1.816 20 5 DDBDMO CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000843987273 702949386 /nfs/dbraw/zinc/94/93/86/702949386.db2.gz DLDPBLSKNZATNL-HUUCEWRRSA-N 1 1 321.377 1.571 20 5 DDBDMO CON(C)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539498 706727927 /nfs/dbraw/zinc/72/79/27/706727927.db2.gz SIWUMORMCLKVJY-CYBMUJFWSA-N 1 1 307.350 1.794 20 5 DDBDMO CON(C)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539498 706727928 /nfs/dbraw/zinc/72/79/28/706727928.db2.gz SIWUMORMCLKVJY-CYBMUJFWSA-N 1 1 307.350 1.794 20 5 DDBDMO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000848478685 703555077 /nfs/dbraw/zinc/55/50/77/703555077.db2.gz QURMULKENIFCHM-CABCVRRESA-N 1 1 319.361 1.589 20 5 DDBDMO C[N@@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000848478685 703555078 /nfs/dbraw/zinc/55/50/78/703555078.db2.gz QURMULKENIFCHM-CABCVRRESA-N 1 1 319.361 1.589 20 5 DDBDMO COC/C=C/C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377092 704014772 /nfs/dbraw/zinc/01/47/72/704014772.db2.gz GWKXIWXANVUAEG-VFQAQYNWSA-N 1 1 320.345 1.915 20 5 DDBDMO COC/C=C/C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377092 704014774 /nfs/dbraw/zinc/01/47/74/704014774.db2.gz GWKXIWXANVUAEG-VFQAQYNWSA-N 1 1 320.345 1.915 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1F ZINC000852708128 704103243 /nfs/dbraw/zinc/10/32/43/704103243.db2.gz RJDMDSLDLQJSJW-CQSZACIVSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCn2ccnc21 ZINC000819337785 704109511 /nfs/dbraw/zinc/10/95/11/704109511.db2.gz PHCQPLBIQNUYBF-NEPJUHHUSA-N 1 1 318.333 1.266 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000820264838 704248762 /nfs/dbraw/zinc/24/87/62/704248762.db2.gz SNGZPRRJUHAGET-DOMZBBRYSA-N 1 1 321.352 1.829 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(N2CC(C[NH+]3CCOCC3)C2)c(F)c1 ZINC000820591256 704306502 /nfs/dbraw/zinc/30/65/02/704306502.db2.gz GKSNZSPCSCNAPH-UHFFFAOYSA-N 1 1 313.304 1.641 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822359 705181382 /nfs/dbraw/zinc/18/13/82/705181382.db2.gz ARBBDDZLZGIVMT-KBPBESRZSA-N 1 1 321.352 1.972 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834285 705191082 /nfs/dbraw/zinc/19/10/82/705191082.db2.gz QUSLQUKNTWVUOJ-QWRGUYRKSA-N 1 1 306.322 1.004 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874840448 705195497 /nfs/dbraw/zinc/19/54/97/705195497.db2.gz OBJVCMICRZAPKI-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000823926513 705340359 /nfs/dbraw/zinc/34/03/59/705340359.db2.gz ABQFDOVWGGQBNN-IINYFYTJSA-N 1 1 319.365 1.735 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823997710 705351598 /nfs/dbraw/zinc/35/15/98/705351598.db2.gz GRPSLLPCRJZRMQ-UHFFFAOYSA-N 1 1 307.354 1.737 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777199 705729759 /nfs/dbraw/zinc/72/97/59/705729759.db2.gz RFSZPCQOXBVXDG-RISCZKNCSA-N 1 1 307.350 1.086 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827346626 705982366 /nfs/dbraw/zinc/98/23/66/705982366.db2.gz PSBOFNCFIKVFKU-WFASDCNBSA-N 1 1 319.361 1.526 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864963738 706314062 /nfs/dbraw/zinc/31/40/62/706314062.db2.gz YMRGIHMPTXOJCM-NSHDSACASA-N 1 1 321.352 1.877 20 5 DDBDMO CC(C)[C@@H](O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251193 706339009 /nfs/dbraw/zinc/33/90/09/706339009.db2.gz HPDSOKAPRYAFNY-JSGCOSHPSA-N 1 1 308.382 1.883 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000830112626 706457061 /nfs/dbraw/zinc/45/70/61/706457061.db2.gz UIILPSNCEFOTFC-GXFFZTMASA-N 1 1 309.341 1.875 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000865688549 706497691 /nfs/dbraw/zinc/49/76/91/706497691.db2.gz GNZIFZDWCVJUIQ-JTQLQIEISA-N 1 1 306.297 1.850 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(NCC[N@H+]2CCCOCC2)cc1F ZINC000865711879 706503470 /nfs/dbraw/zinc/50/34/70/706503470.db2.gz QAVQPSFVPHFHOO-UHFFFAOYSA-N 1 1 313.329 1.360 20 5 DDBDMO Cn1nnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879916089 706818124 /nfs/dbraw/zinc/81/81/24/706818124.db2.gz HKTMAPLWMODTMD-UHFFFAOYSA-N 1 1 320.328 1.637 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000882486134 707657120 /nfs/dbraw/zinc/65/71/20/707657120.db2.gz ZHQWWFOHLHOBCH-CQSZACIVSA-N 1 1 316.361 1.760 20 5 DDBDMO Cc1cc(NCC[N@H+](C)CCOCCO)c([N+](=O)[O-])s1 ZINC000882950853 707866994 /nfs/dbraw/zinc/86/69/94/707866994.db2.gz CWLHQBOCHGASNW-UHFFFAOYSA-N 1 1 303.384 1.317 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000882961267 707874357 /nfs/dbraw/zinc/87/43/57/707874357.db2.gz JPTJIVQCRWTBJW-ZDUSSCGKSA-N 1 1 318.377 1.993 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000883167698 707945700 /nfs/dbraw/zinc/94/57/00/707945700.db2.gz FPMWESZPAHYUEF-ZDUSSCGKSA-N 1 1 322.365 1.497 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838908551 708001454 /nfs/dbraw/zinc/00/14/54/708001454.db2.gz GBXKZIFSAVELBC-OKILXGFUSA-N 1 1 320.345 1.923 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)CCOCCO)ccc1Cl ZINC000839194291 708034781 /nfs/dbraw/zinc/03/47/81/708034781.db2.gz KDGFFKHAAJPNNH-UHFFFAOYSA-N 1 1 318.757 1.051 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896913151 708181291 /nfs/dbraw/zinc/18/12/91/708181291.db2.gz NKQUJXTXIQUTIY-XHDPSFHLSA-N 1 1 320.349 1.164 20 5 DDBDMO Cc1cccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897220928 708258720 /nfs/dbraw/zinc/25/87/20/708258720.db2.gz ZSKMHWBJKIKQDQ-KBPBESRZSA-N 1 1 305.378 1.939 20 5 DDBDMO Nc1c(F)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221448 708259184 /nfs/dbraw/zinc/25/91/84/708259184.db2.gz NBLFYSJHYRECOP-MNOVXSKESA-N 1 1 324.356 1.352 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886578212 708780413 /nfs/dbraw/zinc/78/04/13/708780413.db2.gz NMIWHHPMHQMUFW-UHIISALHSA-N 1 1 305.334 1.236 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886578212 708780415 /nfs/dbraw/zinc/78/04/15/708780415.db2.gz NMIWHHPMHQMUFW-UHIISALHSA-N 1 1 305.334 1.236 20 5 DDBDMO Cc1cc(Cl)c(C(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899738498 709184458 /nfs/dbraw/zinc/18/44/58/709184458.db2.gz DRULNSZFQPCTPM-UHFFFAOYSA-N 1 1 315.757 1.211 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000900098995 709288576 /nfs/dbraw/zinc/28/85/76/709288576.db2.gz LMOVQGIJKTXQKY-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC000893186701 710568341 /nfs/dbraw/zinc/56/83/41/710568341.db2.gz BBJCHRLMHFTBLK-HNNXBMFYSA-N 1 1 320.324 1.183 20 5 DDBDMO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928442802 713197960 /nfs/dbraw/zinc/19/79/60/713197960.db2.gz CFFOFIPZLTVHGL-PWSUYJOCSA-N 1 1 323.349 1.191 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000928448999 713201608 /nfs/dbraw/zinc/20/16/08/713201608.db2.gz DGOWJJVFLKARCK-WPRPVWTQSA-N 1 1 307.306 1.146 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000893936005 710892512 /nfs/dbraw/zinc/89/25/12/710892512.db2.gz TYNZPZWGTDGQJQ-HTQZYQBOSA-N 1 1 319.287 1.487 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893942028 710894793 /nfs/dbraw/zinc/89/47/93/710894793.db2.gz YQFCSHAPEIVHQU-PWSUYJOCSA-N 1 1 320.349 1.225 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000928571329 713233515 /nfs/dbraw/zinc/23/35/15/713233515.db2.gz MBFYKBCBMQHGQE-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000928571329 713233517 /nfs/dbraw/zinc/23/35/17/713233517.db2.gz MBFYKBCBMQHGQE-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@@H+](CCO)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC000895241370 711462238 /nfs/dbraw/zinc/46/22/38/711462238.db2.gz RISFQZSIDDATSP-UHFFFAOYSA-N 1 1 324.768 1.554 20 5 DDBDMO COC/C(C)=C\C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000929171763 713561079 /nfs/dbraw/zinc/56/10/79/713561079.db2.gz ODURHLSSXGXLEP-ACAGNQJTSA-N 1 1 306.366 1.705 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651587 713887693 /nfs/dbraw/zinc/88/76/93/713887693.db2.gz YVXJTMNOYPWJIS-CABCVRRESA-N 1 1 303.362 1.909 20 5 DDBDMO CC1(C)CC(=O)NCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000931205331 714035770 /nfs/dbraw/zinc/03/57/70/714035770.db2.gz LCJMIMGSLRLKNQ-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO CC1(C)CC(=O)NCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000931205331 714035772 /nfs/dbraw/zinc/03/57/72/714035772.db2.gz LCJMIMGSLRLKNQ-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932646328 714373921 /nfs/dbraw/zinc/37/39/21/714373921.db2.gz HWUZABZSHROYFM-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932757590 714406904 /nfs/dbraw/zinc/40/69/04/714406904.db2.gz WWLQRKQZPKEUGI-CYBMUJFWSA-N 1 1 323.397 1.480 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000923888148 714484842 /nfs/dbraw/zinc/48/48/42/714484842.db2.gz BYMHKKQBTGBGJV-CYBMUJFWSA-N 1 1 323.349 1.173 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925309435 714803161 /nfs/dbraw/zinc/80/31/61/714803161.db2.gz ZYLBKTMLDMCLLC-KOLCDFICSA-N 1 1 308.338 1.818 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925410424 714846633 /nfs/dbraw/zinc/84/66/33/714846633.db2.gz RNDCEQFXXKGJLE-OAHLLOKOSA-N 1 1 318.377 1.973 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666140 719391572 /nfs/dbraw/zinc/39/15/72/719391572.db2.gz JJVUPWXEAOJVJT-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO CCOC(=O)COc1ncc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167278825 732888858 /nfs/dbraw/zinc/88/88/58/732888858.db2.gz UILMBBAVVRSDNG-JTQLQIEISA-N 1 1 324.337 1.048 20 5 DDBDMO C[C@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001121388797 782486881 /nfs/dbraw/zinc/48/68/81/782486881.db2.gz GTBLLUJGQLZLQR-LLVKDONJSA-N 1 1 310.402 1.463 20 5 DDBDMO Cc1c(F)cnc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC001167832604 738953873 /nfs/dbraw/zinc/95/38/73/738953873.db2.gz LEUUSVKJMXLBKN-UHFFFAOYSA-N 1 1 300.359 1.898 20 5 DDBDMO Cc1csc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001126732429 741864204 /nfs/dbraw/zinc/86/42/04/741864204.db2.gz HSVWEUAJZAPWKJ-UHFFFAOYSA-N 1 1 323.378 1.218 20 5 DDBDMO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699192 744521260 /nfs/dbraw/zinc/52/12/60/744521260.db2.gz ADMAIQSJCSYLPH-HUUCEWRRSA-N 1 1 321.421 1.932 20 5 DDBDMO CO[C@H]1CC[NH2+][C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001212240502 747104809 /nfs/dbraw/zinc/10/48/09/747104809.db2.gz ALHJPZUGDKGNLQ-DTWKUNHWSA-N 1 1 323.284 1.618 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)c(Cl)c1 ZINC001198752042 747599112 /nfs/dbraw/zinc/59/91/12/747599112.db2.gz HZEKDJBMNMFTRD-ZYHUDNBSSA-N 1 1 314.769 1.671 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054391 762209733 /nfs/dbraw/zinc/20/97/33/762209733.db2.gz LTEJMGNVMCYJCB-WXHSDQCUSA-N 1 1 310.329 1.514 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147155433 773054353 /nfs/dbraw/zinc/05/43/53/773054353.db2.gz ZPDKEMKPVFGQKL-SSDOTTSWSA-N 1 1 315.761 1.574 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093642096 774939710 /nfs/dbraw/zinc/93/97/10/774939710.db2.gz KFXXDLRVHHARIN-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@H](CO)C1)CC2 ZINC001172907080 776918125 /nfs/dbraw/zinc/91/81/25/776918125.db2.gz CRIBLMPUUYPQDC-ZBFHGGJFSA-N 1 1 306.362 1.535 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001173235434 777064539 /nfs/dbraw/zinc/06/45/39/777064539.db2.gz WYJLKJHLROVBGX-CJNGLKHVSA-N 1 1 319.405 1.931 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860299 779214794 /nfs/dbraw/zinc/21/47/94/779214794.db2.gz AAKIRMXOVBTIJT-NSHDSACASA-N 1 1 307.354 1.032 20 5 DDBDMO Cc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC001116360273 780500449 /nfs/dbraw/zinc/50/04/49/780500449.db2.gz JTDSOXURMXKBDL-UHFFFAOYSA-N 1 1 304.310 1.047 20 5 DDBDMO CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001271805483 844121568 /nfs/dbraw/zinc/12/15/68/844121568.db2.gz BHMPJJBBQZZFJG-HUUCEWRRSA-N 1 1 305.378 1.680 20 5 DDBDMO COc1cc([N+](=O)[O-])cn(Cc2cn3ccccc3[nH+]2)c1=O ZINC001307378947 836469417 /nfs/dbraw/zinc/46/94/17/836469417.db2.gz IODGCYNLMIKXDW-UHFFFAOYSA-N 1 1 300.274 1.461 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC001150120266 862099124 /nfs/dbraw/zinc/09/91/24/862099124.db2.gz UWVZJAYITBMNDV-YMTOWFKASA-N 1 1 304.350 1.511 20 5 DDBDMO CCc1onc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276001055 854124128 /nfs/dbraw/zinc/12/41/28/854124128.db2.gz DJIISVUGKYKAFT-DGCLKSJQSA-N 1 1 324.381 1.149 20 5 DDBDMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@H+]2C1 ZINC001123668800 859353196 /nfs/dbraw/zinc/35/31/96/859353196.db2.gz HIGHYNGCOLJXKA-UPJWGTAASA-N 1 1 321.381 1.028 20 5 DDBDMO CSc1nc(Cl)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156580762 863164875 /nfs/dbraw/zinc/16/48/75/863164875.db2.gz LKNQCYQVFPDFGI-LURJTMIESA-N 1 1 303.775 1.876 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158433927 864652183 /nfs/dbraw/zinc/65/21/83/864652183.db2.gz PUWMYHJYRPSINR-JTQLQIEISA-N 1 1 306.322 1.061 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160724980 866072562 /nfs/dbraw/zinc/07/25/62/866072562.db2.gz NMQYNTXITJZPPM-OLZOCXBDSA-N 1 1 307.354 1.237 20 5 DDBDMO CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320734381 866988979 /nfs/dbraw/zinc/98/89/79/866988979.db2.gz IHWAURWVEXUXCP-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO COc1ncnc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163361653 868397003 /nfs/dbraw/zinc/39/70/03/868397003.db2.gz JYHWABWIEFKTKG-WDEREUQCSA-N 1 1 309.370 1.924 20 5 DDBDMO CCOC(=O)C=C(N)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163448854 868458648 /nfs/dbraw/zinc/45/86/48/868458648.db2.gz HRWMPKNHNMUXRG-UHFFFAOYSA-N 1 1 320.349 1.925 20 5 DDBDMO CCOC(=O)C=C(N)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163448854 868458655 /nfs/dbraw/zinc/45/86/55/868458655.db2.gz HRWMPKNHNMUXRG-UHFFFAOYSA-N 1 1 320.349 1.925 20 5 DDBDMO O=C(NCCC1(C[NH2+]C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494416 869231644 /nfs/dbraw/zinc/23/16/44/869231644.db2.gz IZDSWOIGSJHMTO-ZMYMIGOBSA-N 1 1 301.774 1.280 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001337836245 869651569 /nfs/dbraw/zinc/65/15/69/869651569.db2.gz OTYUDNUGSJGCBD-CQDKDKBSSA-N 1 1 319.361 1.430 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001226431934 882429485 /nfs/dbraw/zinc/42/94/85/882429485.db2.gz VIXUEQXPOCFHKL-VIFPVBQESA-N 1 1 310.306 1.473 20 5 DDBDMO C[NH+]1CCN(CCCO[C@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001206591221 872459649 /nfs/dbraw/zinc/45/96/49/872459649.db2.gz RCUIEJWSOZTIAU-OAHLLOKOSA-N 1 1 308.382 1.054 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001319181581 872481741 /nfs/dbraw/zinc/48/17/41/872481741.db2.gz MKZCNYDJRIZNDQ-KCQAQPDRSA-N 1 1 308.382 1.664 20 5 DDBDMO O=C(CC[NH+]1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319558766 872693721 /nfs/dbraw/zinc/69/37/21/872693721.db2.gz MQBFFZZPKPDJKP-UHFFFAOYSA-N 1 1 319.361 1.202 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001355391968 878533285 /nfs/dbraw/zinc/53/32/85/878533285.db2.gz NSEGMRIUYCCROB-OLZOCXBDSA-N 1 1 324.429 1.191 20 5 DDBDMO C[C@H](C[NH+](C)C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001228659694 883600368 /nfs/dbraw/zinc/60/03/68/883600368.db2.gz BKQXPMUWLVGCAO-SECBINFHSA-N 1 1 302.352 1.327 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233579208 887122225 /nfs/dbraw/zinc/12/22/25/887122225.db2.gz ZYUMAINRKIEPRP-SNVBAGLBSA-N 1 1 311.294 1.603 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233576673 887123226 /nfs/dbraw/zinc/12/32/26/887123226.db2.gz YLSNELVMFCXEBZ-RLCGTCKNSA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc([N+](=O)[O-])c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233576673 887123231 /nfs/dbraw/zinc/12/32/31/887123231.db2.gz YLSNELVMFCXEBZ-RLCGTCKNSA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001235715592 888906337 /nfs/dbraw/zinc/90/63/37/888906337.db2.gz IDVCTZUTKQWCHJ-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCN4CC[C@@H]4C3)CC2)cc1 ZINC001254482430 896456550 /nfs/dbraw/zinc/45/65/50/896456550.db2.gz JBPJWJPOXQLQSU-QGZVFWFLSA-N 1 1 316.405 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N3CC[N@@H+]4CC[C@@H]4C3)CC2)cc1 ZINC001254482430 896456558 /nfs/dbraw/zinc/45/65/58/896456558.db2.gz JBPJWJPOXQLQSU-QGZVFWFLSA-N 1 1 316.405 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N3CC[N@H+]4CC[C@@H]4C3)CC2)cc1 ZINC001254482430 896456567 /nfs/dbraw/zinc/45/65/67/896456567.db2.gz JBPJWJPOXQLQSU-QGZVFWFLSA-N 1 1 316.405 1.954 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263415598 900605224 /nfs/dbraw/zinc/60/52/24/900605224.db2.gz HFMFGEIQCCKOEG-STQMWFEESA-N 1 1 324.429 1.802 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ncc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001264983557 901390243 /nfs/dbraw/zinc/39/02/43/901390243.db2.gz GCQAULCVXOQKJP-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO CC(=O)NC1(CO)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001281796450 905227476 /nfs/dbraw/zinc/22/74/76/905227476.db2.gz YDLNLHLLKRPKKL-UHFFFAOYSA-N 1 1 307.350 1.058 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571655 214244676 /nfs/dbraw/zinc/24/46/76/214244676.db2.gz KNSRYTXLAWUNOK-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571655 214244679 /nfs/dbraw/zinc/24/46/79/214244679.db2.gz KNSRYTXLAWUNOK-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278571655 214244682 /nfs/dbraw/zinc/24/46/82/214244682.db2.gz KNSRYTXLAWUNOK-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000305764468 231043607 /nfs/dbraw/zinc/04/36/07/231043607.db2.gz PSOCEUPQLBYMFR-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000305764468 231043610 /nfs/dbraw/zinc/04/36/10/231043610.db2.gz PSOCEUPQLBYMFR-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451576904 231129979 /nfs/dbraw/zinc/12/99/79/231129979.db2.gz VCDXAVXYBVYCHT-RISCZKNCSA-N 1 1 307.350 1.890 20 5 DDBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451576904 231129982 /nfs/dbraw/zinc/12/99/82/231129982.db2.gz VCDXAVXYBVYCHT-RISCZKNCSA-N 1 1 307.350 1.890 20 5 DDBDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452351190 231356808 /nfs/dbraw/zinc/35/68/08/231356808.db2.gz PHCQTEBMJXTKMZ-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552603 185303005 /nfs/dbraw/zinc/30/30/05/185303005.db2.gz IHEYZFTXTUANNS-HIFRSBDPSA-N 1 1 320.393 1.173 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000615140571 362170517 /nfs/dbraw/zinc/17/05/17/362170517.db2.gz XXQZPPDLHJYDPK-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444675804 529903300 /nfs/dbraw/zinc/90/33/00/529903300.db2.gz SBADEHDCSNDULX-UHFFFAOYSA-N 1 1 303.366 1.997 20 5 DDBDMO O=[N+]([O-])c1c(N2CCN(c3[nH]cc[nH+]3)CC2)nc2sccn21 ZINC000278799612 282326257 /nfs/dbraw/zinc/32/62/57/282326257.db2.gz YCPUHPYUKNPTID-UHFFFAOYSA-N 1 1 319.350 1.354 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451774889 529984325 /nfs/dbraw/zinc/98/43/25/529984325.db2.gz CBFYXXULPDIKRG-CYBMUJFWSA-N 1 1 323.393 1.923 20 5 DDBDMO C[NH2+]Cc1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000414649994 530011711 /nfs/dbraw/zinc/01/17/11/530011711.db2.gz XNYIHNBKUQAIIQ-UHFFFAOYSA-N 1 1 300.221 1.966 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491889107 530057037 /nfs/dbraw/zinc/05/70/37/530057037.db2.gz UURSUSVHMRGDDF-VUDGCMKMSA-N 1 1 307.325 1.958 20 5 DDBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272700796 210105067 /nfs/dbraw/zinc/10/50/67/210105067.db2.gz UHCUWBHJBDAZLR-OLZOCXBDSA-N 1 1 319.361 1.999 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272700796 210105071 /nfs/dbraw/zinc/10/50/71/210105071.db2.gz UHCUWBHJBDAZLR-OLZOCXBDSA-N 1 1 319.361 1.999 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279708060 215079368 /nfs/dbraw/zinc/07/93/68/215079368.db2.gz HRPSJSAVIJIJMO-JSGCOSHPSA-N 1 1 310.350 1.037 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCCO)Cc2ccccn2)c1 ZINC000287121229 219328685 /nfs/dbraw/zinc/32/86/85/219328685.db2.gz XGCLOARETBFHME-UHFFFAOYSA-N 1 1 305.338 1.071 20 5 DDBDMO C[C@H]1OCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000182026217 199376746 /nfs/dbraw/zinc/37/67/46/199376746.db2.gz MCVMPSLBXVRTED-UPJWGTAASA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@H]1OCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000182026217 199376748 /nfs/dbraw/zinc/37/67/48/199376748.db2.gz MCVMPSLBXVRTED-UPJWGTAASA-N 1 1 310.350 1.444 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000617352630 363066912 /nfs/dbraw/zinc/06/69/12/363066912.db2.gz JAILZQAVGAUBSM-GFCCVEGCSA-N 1 1 319.361 1.818 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1C ZINC000026452173 352208849 /nfs/dbraw/zinc/20/88/49/352208849.db2.gz GAGHHUOBKOXPLW-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1C ZINC000026452173 352208853 /nfs/dbraw/zinc/20/88/53/352208853.db2.gz GAGHHUOBKOXPLW-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000052191843 352603499 /nfs/dbraw/zinc/60/34/99/352603499.db2.gz VXSZJHQJZKOOSY-UHFFFAOYSA-N 1 1 317.349 1.718 20 5 DDBDMO CCN1CC[NH+](C[C@@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000060380155 352870065 /nfs/dbraw/zinc/87/00/65/352870065.db2.gz QZPMGUFITOETSL-ZDUSSCGKSA-N 1 1 307.398 1.675 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000065892030 352967733 /nfs/dbraw/zinc/96/77/33/352967733.db2.gz KVLSOTTXTCJKNJ-VXGBXAGGSA-N 1 1 323.397 1.336 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000067633346 353059474 /nfs/dbraw/zinc/05/94/74/353059474.db2.gz KHKUUAABIIENTH-ZDUSSCGKSA-N 1 1 305.378 1.984 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293253720 354454684 /nfs/dbraw/zinc/45/46/84/354454684.db2.gz UBZSOAFOXWTKCS-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293253720 354454686 /nfs/dbraw/zinc/45/46/86/354454686.db2.gz UBZSOAFOXWTKCS-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231299 283035065 /nfs/dbraw/zinc/03/50/65/283035065.db2.gz OBROETMBQSTOQC-OBJOEFQTSA-N 1 1 320.393 1.736 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccnc21 ZINC000405214651 354677368 /nfs/dbraw/zinc/67/73/68/354677368.db2.gz JMRTZJZNIUVNND-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587224639 354881918 /nfs/dbraw/zinc/88/19/18/354881918.db2.gz VKJPLZDNZVKUQO-LLVKDONJSA-N 1 1 308.382 1.956 20 5 DDBDMO Cc1cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000590392089 355083710 /nfs/dbraw/zinc/08/37/10/355083710.db2.gz LLWPCBZFAWENKF-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000494791559 235089748 /nfs/dbraw/zinc/08/97/48/235089748.db2.gz DVNDWQVYBKDPJB-JTQLQIEISA-N 1 1 318.337 1.403 20 5 DDBDMO CN1C[C@H]2[C@@H](CC[N@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000591037767 355236739 /nfs/dbraw/zinc/23/67/39/355236739.db2.gz ZMZDFWANZDYMPK-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1C[C@H]2[C@@H](CCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000591037767 355236740 /nfs/dbraw/zinc/23/67/40/355236740.db2.gz ZMZDFWANZDYMPK-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000591037767 355236744 /nfs/dbraw/zinc/23/67/44/355236744.db2.gz ZMZDFWANZDYMPK-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209140 355539455 /nfs/dbraw/zinc/53/94/55/355539455.db2.gz VKGULDRGKUIRCK-OUCADQQQSA-N 1 1 322.361 1.820 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256116 355548250 /nfs/dbraw/zinc/54/82/50/355548250.db2.gz ZJMFTGMECAGLEG-WDEREUQCSA-N 1 1 307.354 1.088 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593679320 355964704 /nfs/dbraw/zinc/96/47/04/355964704.db2.gz KQCICCCUHHGJTF-SDSFWRRZSA-N 1 1 317.389 1.749 20 5 DDBDMO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000594003570 356084252 /nfs/dbraw/zinc/08/42/52/356084252.db2.gz APOPJUAZDSBZJQ-VXGBXAGGSA-N 1 1 318.333 1.894 20 5 DDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760355 356309596 /nfs/dbraw/zinc/30/95/96/356309596.db2.gz MFKZGYNNQGLVDU-UHFFFAOYSA-N 1 1 316.383 1.000 20 5 DDBDMO COCC[N@@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042032 356375999 /nfs/dbraw/zinc/37/59/99/356375999.db2.gz SKKCGTXMLCFPNS-GFCCVEGCSA-N 1 1 311.382 1.832 20 5 DDBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595295384 356438137 /nfs/dbraw/zinc/43/81/37/356438137.db2.gz KZWNHQAUIJHWSV-SNVBAGLBSA-N 1 1 307.310 1.962 20 5 DDBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595295384 356438140 /nfs/dbraw/zinc/43/81/40/356438140.db2.gz KZWNHQAUIJHWSV-SNVBAGLBSA-N 1 1 307.310 1.962 20 5 DDBDMO CCO[C@@H]1C[C@](CO)([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595447070 356496580 /nfs/dbraw/zinc/49/65/80/356496580.db2.gz FTBFXJHVHYOBAN-BXUZGUMPSA-N 1 1 313.354 1.547 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081519637 192278013 /nfs/dbraw/zinc/27/80/13/192278013.db2.gz KPDAHCKUEZWXIY-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608365 356575338 /nfs/dbraw/zinc/57/53/38/356575338.db2.gz OJXSQDBYFBBZJM-GFCCVEGCSA-N 1 1 317.349 1.717 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608845 356575737 /nfs/dbraw/zinc/57/57/37/356575737.db2.gz XJRAZMVJFXZACX-ZDUSSCGKSA-N 1 1 317.349 1.587 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744987 356632377 /nfs/dbraw/zinc/63/23/77/356632377.db2.gz XPLWGVKCKBYEPX-DZGCQCFKSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754986 356637469 /nfs/dbraw/zinc/63/74/69/356637469.db2.gz DOMQTFNESKNIKO-XPKDYRNWSA-N 1 1 322.361 1.303 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000595761072 356642006 /nfs/dbraw/zinc/64/20/06/356642006.db2.gz WNUKVDSDRIPXAG-CJNGLKHVSA-N 1 1 320.345 1.850 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595833836 356670428 /nfs/dbraw/zinc/67/04/28/356670428.db2.gz RZRUGRHRWBHWCM-UPJWGTAASA-N 1 1 319.361 1.890 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000595852257 356678448 /nfs/dbraw/zinc/67/84/48/356678448.db2.gz YOEOMARFWZMUJP-LLVKDONJSA-N 1 1 310.354 1.628 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000595852257 356678451 /nfs/dbraw/zinc/67/84/51/356678451.db2.gz YOEOMARFWZMUJP-LLVKDONJSA-N 1 1 310.354 1.628 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595826596 356665885 /nfs/dbraw/zinc/66/58/85/356665885.db2.gz AWPAMPVMNJOSFM-GZBFAFLISA-N 1 1 322.361 1.303 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595870479 356685752 /nfs/dbraw/zinc/68/57/52/356685752.db2.gz GOPXMXZZUOLHPO-LRDDRELGSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595870479 356685756 /nfs/dbraw/zinc/68/57/56/356685756.db2.gz GOPXMXZZUOLHPO-LRDDRELGSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595873317 356686824 /nfs/dbraw/zinc/68/68/24/356686824.db2.gz LLJFXEFQABKQIV-MLGOLLRUSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595873317 356686827 /nfs/dbraw/zinc/68/68/27/356686827.db2.gz LLJFXEFQABKQIV-MLGOLLRUSA-N 1 1 321.377 1.792 20 5 DDBDMO NC(=O)c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596078990 356765033 /nfs/dbraw/zinc/76/50/33/356765033.db2.gz HQGIEBOYCROUBX-SNVBAGLBSA-N 1 1 304.350 1.590 20 5 DDBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000618288413 363567603 /nfs/dbraw/zinc/56/76/03/363567603.db2.gz GFIDKOXNXDTACC-NSHDSACASA-N 1 1 303.366 1.997 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151944 356792680 /nfs/dbraw/zinc/79/26/80/356792680.db2.gz MYSZBNFUPDOZAV-MFKMUULPSA-N 1 1 306.366 1.470 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166796 356799515 /nfs/dbraw/zinc/79/95/15/356799515.db2.gz WQOGNJRHMGBWAQ-SMDDNHRTSA-N 1 1 318.377 1.614 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000596199690 356811079 /nfs/dbraw/zinc/81/10/79/356811079.db2.gz FKQBPQWYYQTALW-SNVBAGLBSA-N 1 1 301.306 1.317 20 5 DDBDMO CCC[N@H+]1CC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000596516252 356903433 /nfs/dbraw/zinc/90/34/33/356903433.db2.gz DEVOUTZVPPXMLU-LLVKDONJSA-N 1 1 322.365 1.981 20 5 DDBDMO Cc1[nH+]cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C ZINC000596977378 357032367 /nfs/dbraw/zinc/03/23/67/357032367.db2.gz KZVDPFXHVMSLKD-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597716945 357300059 /nfs/dbraw/zinc/30/00/59/357300059.db2.gz UFHDEVMLWVCTPH-OAHLLOKOSA-N 1 1 306.366 1.491 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597853902 357357945 /nfs/dbraw/zinc/35/79/45/357357945.db2.gz DKUBLZWZMUGVEF-JTQLQIEISA-N 1 1 323.397 1.731 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597923123 357384014 /nfs/dbraw/zinc/38/40/14/357384014.db2.gz LSLLQYBUENYKMR-SECBINFHSA-N 1 1 309.370 1.483 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598343342 357545130 /nfs/dbraw/zinc/54/51/30/357545130.db2.gz VEHOFCURLGNCHU-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598559781 357631789 /nfs/dbraw/zinc/63/17/89/357631789.db2.gz ZJOCTPWOESIWRB-LLVKDONJSA-N 1 1 307.354 1.170 20 5 DDBDMO COc1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1[N+](=O)[O-] ZINC000599126595 357822605 /nfs/dbraw/zinc/82/26/05/357822605.db2.gz OLKXAPCEBNVAFR-UHFFFAOYSA-N 1 1 304.306 1.425 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000600072215 358115232 /nfs/dbraw/zinc/11/52/32/358115232.db2.gz PPYZTJBKIQONGT-UHFFFAOYSA-N 1 1 313.304 1.851 20 5 DDBDMO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000600721975 358296092 /nfs/dbraw/zinc/29/60/92/358296092.db2.gz DDGRKBIHLMKAPA-KRWDZBQOSA-N 1 1 321.421 1.964 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000180854428 199218634 /nfs/dbraw/zinc/21/86/34/199218634.db2.gz XSNCBTBHPRGMNV-VHSXEESVSA-N 1 1 304.350 1.532 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000601109663 358405140 /nfs/dbraw/zinc/40/51/40/358405140.db2.gz WGIISJIPOZEVHZ-ZETCQYMHSA-N 1 1 319.287 1.996 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000601103271 358402826 /nfs/dbraw/zinc/40/28/26/358402826.db2.gz SJPJHGGVRWQZOW-ZDUSSCGKSA-N 1 1 324.356 1.820 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCSC[C@@H]1C[N@H+](C)CCO1 ZINC000601918118 358740353 /nfs/dbraw/zinc/74/03/53/358740353.db2.gz ONFQPCMIERMYNE-NSHDSACASA-N 1 1 300.384 1.164 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000601918118 358740359 /nfs/dbraw/zinc/74/03/59/358740359.db2.gz ONFQPCMIERMYNE-NSHDSACASA-N 1 1 300.384 1.164 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602438183 358977138 /nfs/dbraw/zinc/97/71/38/358977138.db2.gz BPYSNDMSKQZYGG-GFCCVEGCSA-N 1 1 321.381 1.067 20 5 DDBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602482230 359007913 /nfs/dbraw/zinc/00/79/13/359007913.db2.gz HPCQIYRYVSWEFT-NSHDSACASA-N 1 1 304.354 1.126 20 5 DDBDMO CC[NH+]1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359197989 /nfs/dbraw/zinc/19/79/89/359197989.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359197994 /nfs/dbraw/zinc/19/79/94/359197994.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359197998 /nfs/dbraw/zinc/19/79/98/359197998.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359198001 /nfs/dbraw/zinc/19/80/01/359198001.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359198003 /nfs/dbraw/zinc/19/80/03/359198003.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359198004 /nfs/dbraw/zinc/19/80/04/359198004.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602823134 359217004 /nfs/dbraw/zinc/21/70/04/359217004.db2.gz YUGJCAGSRPPTMG-ZFWWWQNUSA-N 1 1 324.381 1.370 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000602910444 359289546 /nfs/dbraw/zinc/28/95/46/359289546.db2.gz YSPOIBZRKHUVFW-GDBMZVCRSA-N 1 1 324.377 1.700 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000602910444 359289549 /nfs/dbraw/zinc/28/95/49/359289549.db2.gz YSPOIBZRKHUVFW-GDBMZVCRSA-N 1 1 324.377 1.700 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000602914522 359291814 /nfs/dbraw/zinc/29/18/14/359291814.db2.gz FVRMCLBWQQTHKO-YNEHKIRRSA-N 1 1 322.365 1.492 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000602914522 359291818 /nfs/dbraw/zinc/29/18/18/359291818.db2.gz FVRMCLBWQQTHKO-YNEHKIRRSA-N 1 1 322.365 1.492 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901550 359282793 /nfs/dbraw/zinc/28/27/93/359282793.db2.gz ZZASTAKXRNCCNN-DOMZBBRYSA-N 1 1 310.350 1.311 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997601 359346090 /nfs/dbraw/zinc/34/60/90/359346090.db2.gz NKDLRMNACFFHFG-RDBSUJKOSA-N 1 1 308.382 1.725 20 5 DDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCCC3)nn2)c(F)c1 ZINC000603224544 359496310 /nfs/dbraw/zinc/49/63/10/359496310.db2.gz QBTMCWOFYUTALO-UHFFFAOYSA-N 1 1 305.313 1.970 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[N@@H+](C)C1CC1 ZINC000186782698 200009508 /nfs/dbraw/zinc/00/95/08/200009508.db2.gz GWFRCXGBMCTDBX-LBPRGKRZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186931650 200033833 /nfs/dbraw/zinc/03/38/33/200033833.db2.gz HUDQTVUXGWQZQH-LBPRGKRZSA-N 1 1 321.377 1.512 20 5 DDBDMO COc1ccc(OCCN[C@@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430960 359635285 /nfs/dbraw/zinc/63/52/85/359635285.db2.gz DDEHABNBOZKNCT-UONOGXRCSA-N 1 1 309.366 1.698 20 5 DDBDMO CCO[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436835 359750493 /nfs/dbraw/zinc/75/04/93/359750493.db2.gz ASQVPBYQBVPZDN-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604533251 359761981 /nfs/dbraw/zinc/76/19/81/359761981.db2.gz DYNCJTDNKHXWPX-CYBMUJFWSA-N 1 1 321.377 1.820 20 5 DDBDMO COC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189406229 200395718 /nfs/dbraw/zinc/39/57/18/200395718.db2.gz CQHZVXHKBKFNJB-SWLSCSKDSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000189406229 200395720 /nfs/dbraw/zinc/39/57/20/200395720.db2.gz CQHZVXHKBKFNJB-SWLSCSKDSA-N 1 1 310.350 1.709 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000609204400 360273538 /nfs/dbraw/zinc/27/35/38/360273538.db2.gz MUQXDZKGYRNRMX-UKRRQHHQSA-N 1 1 324.377 1.429 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359027165 299310847 /nfs/dbraw/zinc/31/08/47/299310847.db2.gz NAHPDXIYIUGYBF-GHMZBOCLSA-N 1 1 307.354 1.358 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359028220 299311255 /nfs/dbraw/zinc/31/12/55/299311255.db2.gz PJPJJKMDNPUGDK-NWDGAFQWSA-N 1 1 305.338 1.160 20 5 DDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000612672348 361103468 /nfs/dbraw/zinc/10/34/68/361103468.db2.gz LHKKGOVDHHPYEF-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000612672348 361103469 /nfs/dbraw/zinc/10/34/69/361103469.db2.gz LHKKGOVDHHPYEF-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO COCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000194592699 201259665 /nfs/dbraw/zinc/25/96/65/201259665.db2.gz FKHLQKVYELXJPA-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252704 363945529 /nfs/dbraw/zinc/94/55/29/363945529.db2.gz NOMUVPMXMVGGIY-OCCSQVGLSA-N 1 1 307.325 1.853 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000376302052 307242591 /nfs/dbraw/zinc/24/25/91/307242591.db2.gz IRXPMUXPNTYBDN-CYBMUJFWSA-N 1 1 313.379 1.027 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000376302052 307242592 /nfs/dbraw/zinc/24/25/92/307242592.db2.gz IRXPMUXPNTYBDN-CYBMUJFWSA-N 1 1 313.379 1.027 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261782987 203117064 /nfs/dbraw/zinc/11/70/64/203117064.db2.gz LHFVKDJCRAXLAY-UHFFFAOYSA-N 1 1 321.381 1.486 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000265028009 204352104 /nfs/dbraw/zinc/35/21/04/204352104.db2.gz XAOGHFNITUKAIH-ZDUSSCGKSA-N 1 1 323.397 1.480 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266073817 205076164 /nfs/dbraw/zinc/07/61/64/205076164.db2.gz XMIBDSICGHPCCZ-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266151782 205139630 /nfs/dbraw/zinc/13/96/30/205139630.db2.gz FURZHMIUGRSDHV-SECBINFHSA-N 1 1 319.358 1.352 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000359595604 299495648 /nfs/dbraw/zinc/49/56/48/299495648.db2.gz WOFCSGDWNPYAEM-LLVKDONJSA-N 1 1 304.354 1.847 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000104977044 194061104 /nfs/dbraw/zinc/06/11/04/194061104.db2.gz OVKFRCDMRYLCCT-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO Cc1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284719168 218147618 /nfs/dbraw/zinc/14/76/18/218147618.db2.gz UTHHUGJRDMOMSA-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000284923278 218235330 /nfs/dbraw/zinc/23/53/30/218235330.db2.gz UDBBXQCDVTWMIZ-GDBMZVCRSA-N 1 1 321.377 1.508 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000159481298 197356864 /nfs/dbraw/zinc/35/68/64/197356864.db2.gz OVGNKEVTBYGJGD-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000159481298 197356866 /nfs/dbraw/zinc/35/68/66/197356866.db2.gz OVGNKEVTBYGJGD-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000058046735 184070527 /nfs/dbraw/zinc/07/05/27/184070527.db2.gz SULYBWSDWMNQSC-VOTSOKGWSA-N 1 1 319.361 1.447 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106282 251384401 /nfs/dbraw/zinc/38/44/01/251384401.db2.gz WKAZQVMWPSDXQI-NEPJUHHUSA-N 1 1 306.366 1.321 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952735 197314059 /nfs/dbraw/zinc/31/40/59/197314059.db2.gz NHKTZTMUXOCLBN-NSHDSACASA-N 1 1 321.312 1.490 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000158748956 197298006 /nfs/dbraw/zinc/29/80/06/197298006.db2.gz HHIRCFUHZUXURE-HNNXBMFYSA-N 1 1 316.361 1.952 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCn2cncn2)CC1 ZINC000264094488 285163149 /nfs/dbraw/zinc/16/31/49/285163149.db2.gz OFGKPDKRBREFRE-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)Cc2cccnc2)cc1 ZINC000156766101 197139714 /nfs/dbraw/zinc/13/97/14/197139714.db2.gz BGUVURNETUTDFP-UHFFFAOYSA-N 1 1 317.345 1.863 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000156492816 197118246 /nfs/dbraw/zinc/11/82/46/197118246.db2.gz GCULUEHOEYCDNJ-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289540721 221053590 /nfs/dbraw/zinc/05/35/90/221053590.db2.gz BQXURDDJKNKXQN-VHSXEESVSA-N 1 1 315.333 1.153 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422718201 533223078 /nfs/dbraw/zinc/22/30/78/533223078.db2.gz PIEMKJNPXZSSRX-HOTGVXAUSA-N 1 1 321.377 1.460 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000121122313 195295757 /nfs/dbraw/zinc/29/57/57/195295757.db2.gz IIBRPTDJDUMYMC-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734567 285380808 /nfs/dbraw/zinc/38/08/08/285380808.db2.gz SZHZXKIUGRLADI-KBPBESRZSA-N 1 1 320.393 1.906 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000294869979 533538853 /nfs/dbraw/zinc/53/88/53/533538853.db2.gz BVXZDLKSWYBXOS-VIFPVBQESA-N 1 1 311.313 1.567 20 5 DDBDMO COc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000025136540 406894011 /nfs/dbraw/zinc/89/40/11/406894011.db2.gz FGOUNLNPLNNSKU-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO NC(=O)C[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000037980067 406996009 /nfs/dbraw/zinc/99/60/09/406996009.db2.gz WGFCUHXWTGZKIF-UHFFFAOYSA-N 1 1 312.757 1.610 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079338047 407053989 /nfs/dbraw/zinc/05/39/89/407053989.db2.gz MTPFJCKOTWKOPH-CYBMUJFWSA-N 1 1 320.393 1.632 20 5 DDBDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191846 407322516 /nfs/dbraw/zinc/32/25/16/407322516.db2.gz LUXHWLWXCDWBQL-FZMZJTMJSA-N 1 1 320.393 1.608 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124920098 407374410 /nfs/dbraw/zinc/37/44/10/407374410.db2.gz SCJZIDPGACAHQQ-OAHLLOKOSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124920098 407374412 /nfs/dbraw/zinc/37/44/12/407374412.db2.gz SCJZIDPGACAHQQ-OAHLLOKOSA-N 1 1 307.350 1.404 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124811938 407370378 /nfs/dbraw/zinc/37/03/78/407370378.db2.gz LLPVMHOMXAFNEL-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000107894122 407381282 /nfs/dbraw/zinc/38/12/82/407381282.db2.gz YKPMVPRUJSFGPU-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266397156 407536675 /nfs/dbraw/zinc/53/66/75/407536675.db2.gz OXUDAIOITGXYOQ-QWHCGFSZSA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452106358 533677665 /nfs/dbraw/zinc/67/76/65/533677665.db2.gz ZZRYPORAAGHOSH-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452106358 533677672 /nfs/dbraw/zinc/67/76/72/533677672.db2.gz ZZRYPORAAGHOSH-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171261795 407642612 /nfs/dbraw/zinc/64/26/12/407642612.db2.gz HEPBRGGFCJMTPT-STQMWFEESA-N 1 1 320.393 1.408 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000266853759 407652316 /nfs/dbraw/zinc/65/23/16/407652316.db2.gz GFSAIVWZFIWGFI-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000266853759 407652321 /nfs/dbraw/zinc/65/23/21/407652321.db2.gz GFSAIVWZFIWGFI-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000267000400 407712106 /nfs/dbraw/zinc/71/21/06/407712106.db2.gz CTIGMPOTJVZJGK-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000171809655 407772982 /nfs/dbraw/zinc/77/29/82/407772982.db2.gz WJCSWCZKBBKLAZ-UHFFFAOYSA-N 1 1 309.370 1.294 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153797537 407904711 /nfs/dbraw/zinc/90/47/11/407904711.db2.gz CNBWWPNGLSFMKT-NSHDSACASA-N 1 1 314.773 1.536 20 5 DDBDMO CC[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118827271 407949505 /nfs/dbraw/zinc/94/95/05/407949505.db2.gz YYVYQUGVPDQCMG-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118751826 407941091 /nfs/dbraw/zinc/94/10/91/407941091.db2.gz FOIHHSIMDJBLPM-CQSZACIVSA-N 1 1 322.365 1.515 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000119079939 407990164 /nfs/dbraw/zinc/99/01/64/407990164.db2.gz XWHZHBWLBJNGKU-NSHDSACASA-N 1 1 308.386 1.889 20 5 DDBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000189654344 408070993 /nfs/dbraw/zinc/07/09/93/408070993.db2.gz AVYKJPSOWSAYPC-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000189654344 408071000 /nfs/dbraw/zinc/07/10/00/408071000.db2.gz AVYKJPSOWSAYPC-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182209604 408096726 /nfs/dbraw/zinc/09/67/26/408096726.db2.gz HEWFACPKNJLCML-GFCCVEGCSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182209604 408096733 /nfs/dbraw/zinc/09/67/33/408096733.db2.gz HEWFACPKNJLCML-GFCCVEGCSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000136330915 408097798 /nfs/dbraw/zinc/09/77/98/408097798.db2.gz GTLRIYNNDSIICG-YDHLFZDLSA-N 1 1 324.377 1.427 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246310963 408217126 /nfs/dbraw/zinc/21/71/26/408217126.db2.gz ZIRMKDXYAXURSF-UKRRQHHQSA-N 1 1 324.377 1.693 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269459844 408317162 /nfs/dbraw/zinc/31/71/62/408317162.db2.gz HMGNVBZGGJFJQY-VHSXEESVSA-N 1 1 321.381 1.796 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000246522874 408281132 /nfs/dbraw/zinc/28/11/32/408281132.db2.gz KUBLSILTVRREKE-RDBSUJKOSA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000246522874 408281136 /nfs/dbraw/zinc/28/11/36/408281136.db2.gz KUBLSILTVRREKE-RDBSUJKOSA-N 1 1 310.354 1.060 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000269535072 408345669 /nfs/dbraw/zinc/34/56/69/408345669.db2.gz TUIDMRHWNOCFOX-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205969 408387163 /nfs/dbraw/zinc/38/71/63/408387163.db2.gz ROBLWIBQQIZFCS-RAIGVLPGSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205969 408387168 /nfs/dbraw/zinc/38/71/68/408387168.db2.gz ROBLWIBQQIZFCS-RAIGVLPGSA-N 1 1 308.338 1.065 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(O)CC1 ZINC000177300913 408575937 /nfs/dbraw/zinc/57/59/37/408575937.db2.gz JMAXLZIWEYJGCK-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264606081 408541404 /nfs/dbraw/zinc/54/14/04/408541404.db2.gz OLNPLLRKLCNINY-SNVBAGLBSA-N 1 1 310.310 1.636 20 5 DDBDMO CN(CC(=O)N1CC[N@@H+](C)CC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000270885488 408725396 /nfs/dbraw/zinc/72/53/96/408725396.db2.gz GLEGQADQRIJPOF-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000251496174 408781139 /nfs/dbraw/zinc/78/11/39/408781139.db2.gz DMBWAIRPECDWNB-CMPLNLGQSA-N 1 1 320.349 1.252 20 5 DDBDMO C[NH+](C)CCc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000276269721 408828309 /nfs/dbraw/zinc/82/83/09/408828309.db2.gz PZWNZURFTMGMGP-UHFFFAOYSA-N 1 1 317.349 1.352 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)o2)c1 ZINC000187666782 163025928 /nfs/dbraw/zinc/02/59/28/163025928.db2.gz HLDKAWJFYPQMRQ-KBPBESRZSA-N 1 1 318.329 1.782 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000285924749 408889747 /nfs/dbraw/zinc/88/97/47/408889747.db2.gz UPXWZPNTQUWKED-ZIAGYGMSSA-N 1 1 323.324 1.279 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277396223 408933070 /nfs/dbraw/zinc/93/30/70/408933070.db2.gz DQDUQLOINNONDA-CYBMUJFWSA-N 1 1 321.377 1.826 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277570282 408968245 /nfs/dbraw/zinc/96/82/45/408968245.db2.gz ZTERFYPKXJKZHP-LLVKDONJSA-N 1 1 319.365 1.518 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282209797 409010956 /nfs/dbraw/zinc/01/09/56/409010956.db2.gz XWAPLHJJVKLTEZ-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293248190 409075544 /nfs/dbraw/zinc/07/55/44/409075544.db2.gz BJBBLKOFJMXOHP-PHIMTYICSA-N 1 1 306.366 1.218 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000278848621 409100211 /nfs/dbraw/zinc/10/02/11/409100211.db2.gz KADHYUKDDVXJSW-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000278848621 409100214 /nfs/dbraw/zinc/10/02/14/409100214.db2.gz KADHYUKDDVXJSW-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)CO ZINC000293390540 409104178 /nfs/dbraw/zinc/10/41/78/409104178.db2.gz KMURYAOGYULMAF-NSHDSACASA-N 1 1 309.366 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293558968 409138079 /nfs/dbraw/zinc/13/80/79/409138079.db2.gz ZXIDNLPDTBWHKL-BETUJISGSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000293786027 409179240 /nfs/dbraw/zinc/17/92/40/409179240.db2.gz WMCLEHXZQJQFAY-LLVKDONJSA-N 1 1 321.381 1.275 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280316346 409291236 /nfs/dbraw/zinc/29/12/36/409291236.db2.gz QAGXKCHPBMMAFW-OAHLLOKOSA-N 1 1 307.350 1.691 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295083731 409315896 /nfs/dbraw/zinc/31/58/96/409315896.db2.gz RMVOBGIQMXOMLI-LLVKDONJSA-N 1 1 309.370 1.606 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295099028 409319615 /nfs/dbraw/zinc/31/96/15/409319615.db2.gz KDAAVTVPAJMUMW-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000294260676 409269110 /nfs/dbraw/zinc/26/91/10/409269110.db2.gz QMGWUFFUKKATDV-UHFFFAOYSA-N 1 1 311.313 1.520 20 5 DDBDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295135111 409335918 /nfs/dbraw/zinc/33/59/18/409335918.db2.gz PAJALHKMOURMLX-ZBFHGGJFSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@@H]([N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295142830 409342901 /nfs/dbraw/zinc/34/29/01/409342901.db2.gz LDWJYJVEMNUJLV-LLVKDONJSA-N 1 1 321.377 1.575 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296038366 409408474 /nfs/dbraw/zinc/40/84/74/409408474.db2.gz FCVJVABIPPHNEQ-IAQYHMDHSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296038366 409408480 /nfs/dbraw/zinc/40/84/80/409408480.db2.gz FCVJVABIPPHNEQ-IAQYHMDHSA-N 1 1 319.361 1.329 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295339795 409442568 /nfs/dbraw/zinc/44/25/68/409442568.db2.gz DPDKKVZKOWWJOO-LBPRGKRZSA-N 1 1 307.350 1.171 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286339 164027354 /nfs/dbraw/zinc/02/73/54/164027354.db2.gz KMXJZRUAOOBCEG-GHMZBOCLSA-N 1 1 306.366 1.849 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cs1 ZINC000285582709 409497166 /nfs/dbraw/zinc/49/71/66/409497166.db2.gz SUSLRYKPOZUYAI-ZDUSSCGKSA-N 1 1 323.378 1.275 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)cs1 ZINC000285582709 409497170 /nfs/dbraw/zinc/49/71/70/409497170.db2.gz SUSLRYKPOZUYAI-ZDUSSCGKSA-N 1 1 323.378 1.275 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881927 409686605 /nfs/dbraw/zinc/68/66/05/409686605.db2.gz PEFAAVVSPYXNIO-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881927 409686613 /nfs/dbraw/zinc/68/66/13/409686613.db2.gz PEFAAVVSPYXNIO-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881927 409686621 /nfs/dbraw/zinc/68/66/21/409686621.db2.gz PEFAAVVSPYXNIO-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881927 409686629 /nfs/dbraw/zinc/68/66/29/409686629.db2.gz PEFAAVVSPYXNIO-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663733 409747661 /nfs/dbraw/zinc/74/76/61/409747661.db2.gz OSTXSGJXVVBHRF-QWHCGFSZSA-N 1 1 321.381 1.269 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000356913441 409716515 /nfs/dbraw/zinc/71/65/15/409716515.db2.gz YFCBZMPDAHMGLU-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356913441 409716523 /nfs/dbraw/zinc/71/65/23/409716523.db2.gz YFCBZMPDAHMGLU-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO C[N@H+]1CC[C@](O)(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985271 409806377 /nfs/dbraw/zinc/80/63/77/409806377.db2.gz TZOSZQQBOBTPFZ-HOTGVXAUSA-N 1 1 305.378 1.628 20 5 DDBDMO CN1CC[C@](O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000331985271 409806389 /nfs/dbraw/zinc/80/63/89/409806389.db2.gz TZOSZQQBOBTPFZ-HOTGVXAUSA-N 1 1 305.378 1.628 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346144008 409819156 /nfs/dbraw/zinc/81/91/56/409819156.db2.gz UCIWFUGLJSCOKH-WDEREUQCSA-N 1 1 323.397 1.873 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229484 409870665 /nfs/dbraw/zinc/87/06/65/409870665.db2.gz MBNUOODYTMMJMR-JBLDHEPKSA-N 1 1 307.354 1.120 20 5 DDBDMO CC(C)NC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297559924 409929024 /nfs/dbraw/zinc/92/90/24/409929024.db2.gz BBLISFPPCYAUQR-UHFFFAOYSA-N 1 1 321.381 1.027 20 5 DDBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000354670546 410004918 /nfs/dbraw/zinc/00/49/18/410004918.db2.gz CESUBINIRMRZJW-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000332695025 410219541 /nfs/dbraw/zinc/21/95/41/410219541.db2.gz RJERJTBNEAAPTB-GXSJLCMTSA-N 1 1 321.333 1.536 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000343273048 410298109 /nfs/dbraw/zinc/29/81/09/410298109.db2.gz QTMKWJIMSCIMNO-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000343273048 410298113 /nfs/dbraw/zinc/29/81/13/410298113.db2.gz QTMKWJIMSCIMNO-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000351976390 410386944 /nfs/dbraw/zinc/38/69/44/410386944.db2.gz ATFIGOTVKOQBJI-CYBMUJFWSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000351976390 410386953 /nfs/dbraw/zinc/38/69/53/410386953.db2.gz ATFIGOTVKOQBJI-CYBMUJFWSA-N 1 1 307.350 1.656 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343457051 410466644 /nfs/dbraw/zinc/46/66/44/410466644.db2.gz KOYBYCNWNJOCKQ-GXFFZTMASA-N 1 1 306.366 1.849 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347329318 410474336 /nfs/dbraw/zinc/47/43/36/410474336.db2.gz IFNAJRGXBPLJCE-RYUDHWBXSA-N 1 1 300.742 1.566 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000343615844 410573157 /nfs/dbraw/zinc/57/31/57/410573157.db2.gz RTBLTUWHOUHKOP-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343568387 410539819 /nfs/dbraw/zinc/53/98/19/410539819.db2.gz KRGJYNYPXXAZLV-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)O ZINC000352202812 410543497 /nfs/dbraw/zinc/54/34/97/410543497.db2.gz MNIPCFRGUJJXTF-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000352203422 410545155 /nfs/dbraw/zinc/54/51/55/410545155.db2.gz RRUXDFFSQLKSSD-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000352203422 410545163 /nfs/dbraw/zinc/54/51/63/410545163.db2.gz RRUXDFFSQLKSSD-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243509 410668852 /nfs/dbraw/zinc/66/88/52/410668852.db2.gz HGVHLLITUISMBA-NWDGAFQWSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243509 410668856 /nfs/dbraw/zinc/66/88/56/410668856.db2.gz HGVHLLITUISMBA-NWDGAFQWSA-N 1 1 323.349 1.005 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000301221085 410677276 /nfs/dbraw/zinc/67/72/76/410677276.db2.gz BGDHJUXOTJCFEX-CQSZACIVSA-N 1 1 306.366 1.681 20 5 DDBDMO Cn1[nH]c([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)nc1=N ZINC000340216325 410761543 /nfs/dbraw/zinc/76/15/43/410761543.db2.gz YZIAOXPMKHBZSF-ZDUSSCGKSA-N 1 1 316.365 1.515 20 5 DDBDMO Cn1[nH]c([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)nc1=N ZINC000340216325 410761546 /nfs/dbraw/zinc/76/15/46/410761546.db2.gz YZIAOXPMKHBZSF-ZDUSSCGKSA-N 1 1 316.365 1.515 20 5 DDBDMO Cc1cc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000301851327 410812477 /nfs/dbraw/zinc/81/24/77/410812477.db2.gz FUZISWZFDOCUMR-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000301851327 410812487 /nfs/dbraw/zinc/81/24/87/410812487.db2.gz FUZISWZFDOCUMR-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709283 410849576 /nfs/dbraw/zinc/84/95/76/410849576.db2.gz DDRCDJFGXZZMDV-NWDGAFQWSA-N 1 1 316.365 1.558 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356142859 410861265 /nfs/dbraw/zinc/86/12/65/410861265.db2.gz AVRSMYMYTUOGGR-LBPRGKRZSA-N 1 1 323.397 1.713 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000131919866 196209749 /nfs/dbraw/zinc/20/97/49/196209749.db2.gz PPDQUCIHSJGSJP-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000131919866 196209753 /nfs/dbraw/zinc/20/97/53/196209753.db2.gz PPDQUCIHSJGSJP-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366851651 418526653 /nfs/dbraw/zinc/52/66/53/418526653.db2.gz MNHPUZOVLRBBQG-ZDUSSCGKSA-N 1 1 307.350 1.514 20 5 DDBDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374679138 418554174 /nfs/dbraw/zinc/55/41/74/418554174.db2.gz MOMVAUZIIUYITG-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](CCOC)CC1 ZINC000360955724 418554535 /nfs/dbraw/zinc/55/45/35/418554535.db2.gz XTDQFJZUZRXRII-UHFFFAOYSA-N 1 1 311.386 1.278 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CCO1 ZINC000367064700 418556823 /nfs/dbraw/zinc/55/68/23/418556823.db2.gz COGFSDCZGRDMTK-GFCCVEGCSA-N 1 1 320.393 1.867 20 5 DDBDMO CC(=O)c1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000290941538 222016390 /nfs/dbraw/zinc/01/63/90/222016390.db2.gz LLTMQWZDUKOQAE-UHFFFAOYSA-N 1 1 315.333 1.847 20 5 DDBDMO CC[N@@H+](C[C@H](C)OC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312706 222305503 /nfs/dbraw/zinc/30/55/03/222305503.db2.gz TWUHCQHEWCQJPF-STQMWFEESA-N 1 1 312.366 1.691 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361422320 418650917 /nfs/dbraw/zinc/65/09/17/418650917.db2.gz ZRYGHMCAZPLXEI-ZDUSSCGKSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361593757 418689793 /nfs/dbraw/zinc/68/97/93/418689793.db2.gz HICVYHGTKJRNPY-ZIAGYGMSSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364922021 418822528 /nfs/dbraw/zinc/82/25/28/418822528.db2.gz LUSBLPVFAFVWCZ-CQSZACIVSA-N 1 1 307.394 1.792 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364932852 418824730 /nfs/dbraw/zinc/82/47/30/418824730.db2.gz KRYWPAUYNHKPAH-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364961223 418827735 /nfs/dbraw/zinc/82/77/35/418827735.db2.gz YAOHNDLEYFUKHU-ZWNOBZJWSA-N 1 1 319.390 2.551 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712158 418893747 /nfs/dbraw/zinc/89/37/47/418893747.db2.gz FDIZQUSVGWEYTQ-OLZOCXBDSA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712158 418893748 /nfs/dbraw/zinc/89/37/48/418893748.db2.gz FDIZQUSVGWEYTQ-OLZOCXBDSA-N 1 1 321.381 1.304 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430316 418903326 /nfs/dbraw/zinc/90/33/26/418903326.db2.gz OALBNPRODBTTJM-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430316 418903327 /nfs/dbraw/zinc/90/33/27/418903327.db2.gz OALBNPRODBTTJM-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411430316 418903329 /nfs/dbraw/zinc/90/33/29/418903329.db2.gz OALBNPRODBTTJM-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO NC(=O)c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000372945099 418915332 /nfs/dbraw/zinc/91/53/32/418915332.db2.gz CXYOELFSFUQRHN-LBPRGKRZSA-N 1 1 304.350 1.368 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930537 419362688 /nfs/dbraw/zinc/36/26/88/419362688.db2.gz CKRPACNPDIIOSE-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930537 419362692 /nfs/dbraw/zinc/36/26/92/419362692.db2.gz CKRPACNPDIIOSE-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc(OCC(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421711530 419698592 /nfs/dbraw/zinc/69/85/92/419698592.db2.gz OOGHTXGXFTZLEY-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(NCCC[NH+]3CCOCC3)c2c1 ZINC000413023021 419765581 /nfs/dbraw/zinc/76/55/81/419765581.db2.gz HUOLLFDMZOTAEA-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CNCC[C@H]1C ZINC000414932426 419877957 /nfs/dbraw/zinc/87/79/57/419877957.db2.gz RBXQHEKUBICHDF-LALPHHSUSA-N 1 1 320.393 1.900 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434444370 229296784 /nfs/dbraw/zinc/29/67/84/229296784.db2.gz BZTWYNXXCIRIPR-NSHDSACASA-N 1 1 307.354 1.075 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(F)(F)C[NH3+] ZINC000423539283 420076231 /nfs/dbraw/zinc/07/62/31/420076231.db2.gz ICJAIIMIJOGXRP-UHFFFAOYSA-N 1 1 303.265 1.317 20 5 DDBDMO O=[N+]([O-])c1cccc(CN(CCN2CC[NH2+]CC2)C2CC2)c1 ZINC000420352428 420229050 /nfs/dbraw/zinc/22/90/50/420229050.db2.gz ANURRKUVKQMYHN-UHFFFAOYSA-N 1 1 304.394 1.464 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416287332 420307064 /nfs/dbraw/zinc/30/70/64/420307064.db2.gz BWMOFCMSGNHBCZ-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416287332 420307067 /nfs/dbraw/zinc/30/70/67/420307067.db2.gz BWMOFCMSGNHBCZ-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO CC[C@@](C)(C(=O)OC)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC000425509409 420403880 /nfs/dbraw/zinc/40/38/80/420403880.db2.gz IJLSDWPHLYZSSX-HNNXBMFYSA-N 1 1 324.381 1.845 20 5 DDBDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444699055 230122606 /nfs/dbraw/zinc/12/26/06/230122606.db2.gz DQLPWOKCBDDLBB-MRXNPFEDSA-N 1 1 318.377 1.901 20 5 DDBDMO CCn1cncc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417789200 420479957 /nfs/dbraw/zinc/47/99/57/420479957.db2.gz IZFBAWCODMNUHA-GFCCVEGCSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1cncc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417789200 420479959 /nfs/dbraw/zinc/47/99/59/420479959.db2.gz IZFBAWCODMNUHA-GFCCVEGCSA-N 1 1 316.365 1.893 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000451345394 420596024 /nfs/dbraw/zinc/59/60/24/420596024.db2.gz QROGHMBOQHWSSC-MJBXVCDLSA-N 1 1 308.382 1.807 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114142 420619230 /nfs/dbraw/zinc/61/92/30/420619230.db2.gz KGGZXCAPRSYCHI-LLVKDONJSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114142 420619232 /nfs/dbraw/zinc/61/92/32/420619232.db2.gz KGGZXCAPRSYCHI-LLVKDONJSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114142 420619235 /nfs/dbraw/zinc/61/92/35/420619235.db2.gz KGGZXCAPRSYCHI-LLVKDONJSA-N 1 1 323.397 1.825 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459803631 420877211 /nfs/dbraw/zinc/87/72/11/420877211.db2.gz NOWQYUHRVMICOD-GXTWGEPZSA-N 1 1 308.382 1.701 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459803631 420877214 /nfs/dbraw/zinc/87/72/14/420877214.db2.gz NOWQYUHRVMICOD-GXTWGEPZSA-N 1 1 308.382 1.701 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C\c3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000493594427 420892828 /nfs/dbraw/zinc/89/28/28/420892828.db2.gz UCTFPLLMKMVFEG-VFWWJLHSSA-N 1 1 319.336 1.767 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769099 421060074 /nfs/dbraw/zinc/06/00/74/421060074.db2.gz YUSJAPJMERAGML-UWVGGRQHSA-N 1 1 307.354 1.244 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456172229 421113006 /nfs/dbraw/zinc/11/30/06/421113006.db2.gz SFSADMINTCZGBD-RISCZKNCSA-N 1 1 304.350 1.169 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456211311 421122419 /nfs/dbraw/zinc/12/24/19/421122419.db2.gz NSQBPRVPOVLWMC-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456211311 421122421 /nfs/dbraw/zinc/12/24/21/421122421.db2.gz NSQBPRVPOVLWMC-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000489396197 421151742 /nfs/dbraw/zinc/15/17/42/421151742.db2.gz MJYDABSNKUOQSS-ZDUSSCGKSA-N 1 1 306.366 1.589 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456379834 421154850 /nfs/dbraw/zinc/15/48/50/421154850.db2.gz NISFKJVQZWTSBB-LLVKDONJSA-N 1 1 308.338 1.252 20 5 DDBDMO COCC[N@@H+](C)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450259203 421173907 /nfs/dbraw/zinc/17/39/07/421173907.db2.gz VPJJQMBKQSZEQQ-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DDBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCOC1 ZINC000490051791 421187287 /nfs/dbraw/zinc/18/72/87/421187287.db2.gz XEBJUUDGEGTODD-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCOC1 ZINC000490051791 421187289 /nfs/dbraw/zinc/18/72/89/421187289.db2.gz XEBJUUDGEGTODD-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)n1 ZINC000450598851 421215140 /nfs/dbraw/zinc/21/51/40/421215140.db2.gz RSCVMKZHEPBCOW-CYBMUJFWSA-N 1 1 308.382 1.865 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000561143777 421308010 /nfs/dbraw/zinc/30/80/10/421308010.db2.gz HVASKMYVXCWKIE-SNVBAGLBSA-N 1 1 320.349 1.673 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720014 421267309 /nfs/dbraw/zinc/26/73/09/421267309.db2.gz UQERUYDFQHVAER-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548408050 421435964 /nfs/dbraw/zinc/43/59/64/421435964.db2.gz FHXJSYIPSYCCTH-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418846 421506547 /nfs/dbraw/zinc/50/65/47/421506547.db2.gz QINQVXDWMRYTBR-SWLSCSKDSA-N 1 1 304.394 1.418 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418846 421506549 /nfs/dbraw/zinc/50/65/49/421506549.db2.gz QINQVXDWMRYTBR-SWLSCSKDSA-N 1 1 304.394 1.418 20 5 DDBDMO Cc1nnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000570391249 421642888 /nfs/dbraw/zinc/64/28/88/421642888.db2.gz ZWVWCWRTHCNIGT-LLVKDONJSA-N 1 1 324.362 1.284 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000571577374 421727884 /nfs/dbraw/zinc/72/78/84/421727884.db2.gz OWLBBQTYIFDNEC-MNOVXSKESA-N 1 1 318.377 1.992 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000522145310 421816462 /nfs/dbraw/zinc/81/64/62/421816462.db2.gz VLXFVGUEZLQMHT-CYBMUJFWSA-N 1 1 318.377 1.195 20 5 DDBDMO C[N@@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000522142480 421817389 /nfs/dbraw/zinc/81/73/89/421817389.db2.gz BIBVSMGFAJOWON-UHFFFAOYSA-N 1 1 322.365 1.367 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594371567 422346300 /nfs/dbraw/zinc/34/63/00/422346300.db2.gz LSVCOVRIGBJCJF-UHFFFAOYSA-N 1 1 309.370 1.280 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000594572575 422350394 /nfs/dbraw/zinc/35/03/94/422350394.db2.gz NSJAALGSHZFCCZ-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000594572575 422350398 /nfs/dbraw/zinc/35/03/98/422350398.db2.gz NSJAALGSHZFCCZ-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO Nc1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000596481101 422378051 /nfs/dbraw/zinc/37/80/51/422378051.db2.gz XIMMDSJEFSDMQS-LLVKDONJSA-N 1 1 305.382 2.391 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000341583122 271127324 /nfs/dbraw/zinc/12/73/24/271127324.db2.gz UISULLXAWUIHOU-OCCSQVGLSA-N 1 1 307.350 1.257 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345321783 272219148 /nfs/dbraw/zinc/21/91/48/272219148.db2.gz OUQYRXIADAGGPE-LDYMZIIASA-N 1 1 310.329 1.529 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000345883204 272356835 /nfs/dbraw/zinc/35/68/35/272356835.db2.gz YUHOHHCHOJRLKI-VXGBXAGGSA-N 1 1 323.397 1.479 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000280994392 274004275 /nfs/dbraw/zinc/00/42/75/274004275.db2.gz OZAOXLFIGSGRCR-UHFFFAOYSA-N 1 1 306.322 1.061 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000275372757 274272258 /nfs/dbraw/zinc/27/22/58/274272258.db2.gz NSTMBWMPTMBHEY-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000275372757 274272259 /nfs/dbraw/zinc/27/22/59/274272259.db2.gz NSTMBWMPTMBHEY-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000275746937 274272588 /nfs/dbraw/zinc/27/25/88/274272588.db2.gz CPTWDUAJOKNQAM-SECBINFHSA-N 1 1 300.746 1.146 20 5 DDBDMO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000193522072 274362156 /nfs/dbraw/zinc/36/21/56/274362156.db2.gz YGXFCQYJZABWQZ-LLVKDONJSA-N 1 1 308.382 1.458 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](C4CC4)CC3)nn21 ZINC000179288331 275041587 /nfs/dbraw/zinc/04/15/87/275041587.db2.gz NJHCCKQIYBGAGP-UHFFFAOYSA-N 1 1 302.338 1.312 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000158959721 276071383 /nfs/dbraw/zinc/07/13/83/276071383.db2.gz QETUVBIGLRJRSE-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299289169 277081118 /nfs/dbraw/zinc/08/11/18/277081118.db2.gz PDDYQCIPQLDCLJ-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452784243 281257655 /nfs/dbraw/zinc/25/76/55/281257655.db2.gz OETKDMTYJDSHDZ-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1oncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129081113 281331100 /nfs/dbraw/zinc/33/11/00/281331100.db2.gz RPQNKHORYFZPFY-LBPRGKRZSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1oncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000129081113 281331101 /nfs/dbraw/zinc/33/11/01/281331101.db2.gz RPQNKHORYFZPFY-LBPRGKRZSA-N 1 1 303.322 1.973 20 5 DDBDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246725805 282010477 /nfs/dbraw/zinc/01/04/77/282010477.db2.gz MHADJYQXKOJFQJ-WCQYABFASA-N 1 1 322.340 1.984 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000192572308 295287504 /nfs/dbraw/zinc/28/75/04/295287504.db2.gz OQQUABFCAZSULY-NWDGAFQWSA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1cnn(C)c1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368578585 301056784 /nfs/dbraw/zinc/05/67/84/301056784.db2.gz OLLLWGZKDLVFBD-LBPRGKRZSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1cnn(C)c1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368578585 301056787 /nfs/dbraw/zinc/05/67/87/301056787.db2.gz OLLLWGZKDLVFBD-LBPRGKRZSA-N 1 1 304.354 1.670 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007171 301118249 /nfs/dbraw/zinc/11/82/49/301118249.db2.gz GRHCOKNDLRSWQB-WCQYABFASA-N 1 1 320.349 1.524 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CCNC(=O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000369428708 301185522 /nfs/dbraw/zinc/18/55/22/301185522.db2.gz TWFNLXWQYJKVGR-NSHDSACASA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCNC(=O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000369428708 301185523 /nfs/dbraw/zinc/18/55/23/301185523.db2.gz TWFNLXWQYJKVGR-NSHDSACASA-N 1 1 323.349 1.193 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC000370044645 301264765 /nfs/dbraw/zinc/26/47/65/301264765.db2.gz FYPOOOUBARLADY-NSHDSACASA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC000370044645 301264769 /nfs/dbraw/zinc/26/47/69/301264769.db2.gz FYPOOOUBARLADY-NSHDSACASA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000370044645 301264770 /nfs/dbraw/zinc/26/47/70/301264770.db2.gz FYPOOOUBARLADY-NSHDSACASA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000370044645 301264772 /nfs/dbraw/zinc/26/47/72/301264772.db2.gz FYPOOOUBARLADY-NSHDSACASA-N 1 1 304.354 1.739 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000370063260 301268890 /nfs/dbraw/zinc/26/88/90/301268890.db2.gz ABDBLWGXTNEWFR-UHFFFAOYSA-N 1 1 322.365 1.499 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377475390 302182684 /nfs/dbraw/zinc/18/26/84/302182684.db2.gz MBRLWJCLNUGEMC-KBPBESRZSA-N 1 1 319.361 1.117 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nccs2)c1 ZINC000519772400 302853675 /nfs/dbraw/zinc/85/36/75/302853675.db2.gz UFCKSCBCZFRQSR-NSHDSACASA-N 1 1 309.347 1.581 20 5 DDBDMO CCc1ccc([C@H](CO)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000359624742 306958326 /nfs/dbraw/zinc/95/83/26/306958326.db2.gz JJLQTPSYQBWJMW-ZDUSSCGKSA-N 1 1 304.350 1.714 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365018718 307056573 /nfs/dbraw/zinc/05/65/73/307056573.db2.gz ORTLMWBXFZELFR-XHDPSFHLSA-N 1 1 318.377 1.485 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000365194451 307061642 /nfs/dbraw/zinc/06/16/42/307061642.db2.gz DEBNVBQEPMUKSX-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H](O)C4(CC4)C3)o2)cc1 ZINC000368799540 307110200 /nfs/dbraw/zinc/11/02/00/307110200.db2.gz JKAZVNSYKJGBGF-GFCCVEGCSA-N 1 1 316.317 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)o2)cc1 ZINC000368799540 307110201 /nfs/dbraw/zinc/11/02/01/307110201.db2.gz JKAZVNSYKJGBGF-GFCCVEGCSA-N 1 1 316.317 1.602 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373972936 307198875 /nfs/dbraw/zinc/19/88/75/307198875.db2.gz KXMQDAHWEVVUBZ-ARFHVFGLSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373972936 307198876 /nfs/dbraw/zinc/19/88/76/307198876.db2.gz KXMQDAHWEVVUBZ-ARFHVFGLSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373972936 307198877 /nfs/dbraw/zinc/19/88/77/307198877.db2.gz KXMQDAHWEVVUBZ-ARFHVFGLSA-N 1 1 317.389 1.332 20 5 DDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000552341637 307820459 /nfs/dbraw/zinc/82/04/59/307820459.db2.gz QYGWVYCRYFYMFO-JTQLQIEISA-N 1 1 318.337 1.382 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000566564120 308057047 /nfs/dbraw/zinc/05/70/47/308057047.db2.gz RJFBKBMSKNZGBF-ZDUSSCGKSA-N 1 1 308.338 1.296 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000566564120 308057049 /nfs/dbraw/zinc/05/70/49/308057049.db2.gz RJFBKBMSKNZGBF-ZDUSSCGKSA-N 1 1 308.338 1.296 20 5 DDBDMO CNc1nc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000572358498 308218533 /nfs/dbraw/zinc/21/85/33/308218533.db2.gz DSXVNZXVUZORPD-JTQLQIEISA-N 1 1 307.354 1.103 20 5 DDBDMO Cc1nnc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000577842995 308417955 /nfs/dbraw/zinc/41/79/55/308417955.db2.gz SJFLBHVGJYFIMP-UHFFFAOYSA-N 1 1 321.362 1.873 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000584649408 337380547 /nfs/dbraw/zinc/38/05/47/337380547.db2.gz INEGSBQGXVAGSR-RYUDHWBXSA-N 1 1 309.370 1.029 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000421019807 484111091 /nfs/dbraw/zinc/11/10/91/484111091.db2.gz MTVGBCRKWIIISR-HNNXBMFYSA-N 1 1 305.334 1.788 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305766037 533901033 /nfs/dbraw/zinc/90/10/33/533901033.db2.gz RFDFFFVWCCRSRD-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459580403 528035537 /nfs/dbraw/zinc/03/55/37/528035537.db2.gz BJVDIKOHDQNJGU-UHFFFAOYSA-N 1 1 322.365 1.346 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302456820 528311441 /nfs/dbraw/zinc/31/14/41/528311441.db2.gz QPDDJNDBRQPHQA-QWHCGFSZSA-N 1 1 323.393 1.885 20 5 DDBDMO CCOC(=O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444620668 528724345 /nfs/dbraw/zinc/72/43/45/528724345.db2.gz PDBARIIVQRAGQC-UHFFFAOYSA-N 1 1 306.322 1.856 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444620668 528724354 /nfs/dbraw/zinc/72/43/54/528724354.db2.gz PDBARIIVQRAGQC-UHFFFAOYSA-N 1 1 306.322 1.856 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452112040 529077226 /nfs/dbraw/zinc/07/72/26/529077226.db2.gz DWAIDMQNVVWOFN-AWEZNQCLSA-N 1 1 320.393 1.608 20 5 DDBDMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411135014 529131674 /nfs/dbraw/zinc/13/16/74/529131674.db2.gz GMPNRGCEXIPRTI-LSDHHAIUSA-N 1 1 303.362 1.862 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735883092 598500230 /nfs/dbraw/zinc/50/02/30/598500230.db2.gz WFBNPWXTFCENPA-SECBINFHSA-N 1 1 318.341 1.065 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328798 598500611 /nfs/dbraw/zinc/50/06/11/598500611.db2.gz YQWQMIRDBOXPPV-VIFPVBQESA-N 1 1 320.357 1.312 20 5 DDBDMO C[C@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000820669007 606711907 /nfs/dbraw/zinc/71/19/07/606711907.db2.gz YKKPZWLSYHOSIN-IUCAKERBSA-N 1 1 318.341 1.065 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122592642 696723592 /nfs/dbraw/zinc/72/35/92/696723592.db2.gz QXUHNIGBYNJVIV-OLZOCXBDSA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122592642 696723594 /nfs/dbraw/zinc/72/35/94/696723594.db2.gz QXUHNIGBYNJVIV-OLZOCXBDSA-N 1 1 323.397 1.766 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000050693344 696234067 /nfs/dbraw/zinc/23/40/67/696234067.db2.gz NLPLIKGYQVTFAC-UHFFFAOYSA-N 1 1 312.757 1.608 20 5 DDBDMO COCC[NH+](CCOC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000083104494 696550451 /nfs/dbraw/zinc/55/04/51/696550451.db2.gz OYCKKEVSWOTEJK-UHFFFAOYSA-N 1 1 308.338 1.497 20 5 DDBDMO Cc1nn(C[NH+]2CCC(Cn3ccnn3)CC2)c(C)c1[N+](=O)[O-] ZINC000157017546 696971730 /nfs/dbraw/zinc/97/17/30/696971730.db2.gz AUKNAEQSEQDAMM-UHFFFAOYSA-N 1 1 319.369 1.369 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000773196440 697726440 /nfs/dbraw/zinc/72/64/40/697726440.db2.gz FFSIYVXBEIUUTA-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773199221 697727088 /nfs/dbraw/zinc/72/70/88/697727088.db2.gz QCFBCOJYYVXKSC-JTQLQIEISA-N 1 1 322.321 1.717 20 5 DDBDMO C[C@H](NC(=O)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000775597877 698014250 /nfs/dbraw/zinc/01/42/50/698014250.db2.gz WVSBZVKANYXQGI-LBPRGKRZSA-N 1 1 307.350 1.494 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000750055118 700201372 /nfs/dbraw/zinc/20/13/72/700201372.db2.gz ZBWKEYCIZCSWMO-HUUCEWRRSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000750055118 700201373 /nfs/dbraw/zinc/20/13/73/700201373.db2.gz ZBWKEYCIZCSWMO-HUUCEWRRSA-N 1 1 322.361 1.856 20 5 DDBDMO CC1(C)CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000781961532 698666240 /nfs/dbraw/zinc/66/62/40/698666240.db2.gz URGTYJRRJVTGBP-UHFFFAOYSA-N 1 1 311.357 1.622 20 5 DDBDMO O=C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782480616 698728164 /nfs/dbraw/zinc/72/81/64/698728164.db2.gz BAGCJZICIGYUMC-PHIMTYICSA-N 1 1 322.340 1.214 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782507895 698733171 /nfs/dbraw/zinc/73/31/71/698733171.db2.gz WHUIJTWJYRNJQD-LLVKDONJSA-N 1 1 311.313 1.783 20 5 DDBDMO C/C(=C\C(=O)N1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784647420 699032509 /nfs/dbraw/zinc/03/25/09/699032509.db2.gz PXNXOOWZHFXMFC-OUKQBFOZSA-N 1 1 319.361 1.135 20 5 DDBDMO CN1CCC[N@H+](CCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000729683809 699485184 /nfs/dbraw/zinc/48/51/84/699485184.db2.gz BNHMPKQQOOHIQE-UHFFFAOYSA-N 1 1 312.439 1.774 20 5 DDBDMO CN1CCC[N@@H+](CCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000729683809 699485185 /nfs/dbraw/zinc/48/51/85/699485185.db2.gz BNHMPKQQOOHIQE-UHFFFAOYSA-N 1 1 312.439 1.774 20 5 DDBDMO C[C@@H]1CN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000795222962 699852622 /nfs/dbraw/zinc/85/26/22/699852622.db2.gz VAAAOFRIKZWVGK-GFCCVEGCSA-N 1 1 321.377 1.667 20 5 DDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(CCC[NH+]1CCOCC1)CC2 ZINC000754109100 700484458 /nfs/dbraw/zinc/48/44/58/700484458.db2.gz IMFJQDMJPNOACO-UHFFFAOYSA-N 1 1 305.378 1.988 20 5 DDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761068763 700838268 /nfs/dbraw/zinc/83/82/68/700838268.db2.gz JKEYCIQWFNGFHZ-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@@H+]1C ZINC000763222883 700929586 /nfs/dbraw/zinc/92/95/86/700929586.db2.gz DKLMVWOVASLBQK-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000763222883 700929587 /nfs/dbraw/zinc/92/95/87/700929587.db2.gz DKLMVWOVASLBQK-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000768843151 701208801 /nfs/dbraw/zinc/20/88/01/701208801.db2.gz RIAPOFMRZYXWAD-IUCAKERBSA-N 1 1 319.408 1.417 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000808215932 701508335 /nfs/dbraw/zinc/50/83/35/701508335.db2.gz FDWNDTLMJGVHGP-AWEZNQCLSA-N 1 1 323.397 1.604 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000808215932 701508336 /nfs/dbraw/zinc/50/83/36/701508336.db2.gz FDWNDTLMJGVHGP-AWEZNQCLSA-N 1 1 323.397 1.604 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000810620468 701802995 /nfs/dbraw/zinc/80/29/95/701802995.db2.gz HNWOIJJSDCGBQL-SECBINFHSA-N 1 1 304.306 1.927 20 5 DDBDMO C[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982280 701889303 /nfs/dbraw/zinc/88/93/03/701889303.db2.gz CDAARUKHQXQVKT-IAQYHMDHSA-N 1 1 305.334 1.831 20 5 DDBDMO C[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982280 701889308 /nfs/dbraw/zinc/88/93/08/701889308.db2.gz CDAARUKHQXQVKT-IAQYHMDHSA-N 1 1 305.334 1.831 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261388 706633040 /nfs/dbraw/zinc/63/30/40/706633040.db2.gz JMGVNWZFIXPNRL-ZNMIVQPWSA-N 1 1 310.350 1.100 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000868535303 702183248 /nfs/dbraw/zinc/18/32/48/702183248.db2.gz REFVXADOGIATRI-INIZCTEOSA-N 1 1 321.352 1.831 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC000866209057 706649119 /nfs/dbraw/zinc/64/91/19/706649119.db2.gz PBMVOPDXBBHGPZ-PWSUYJOCSA-N 1 1 320.349 1.307 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000816954085 702237199 /nfs/dbraw/zinc/23/71/99/702237199.db2.gz STGALXSLNNAYNT-NBVGUUKWSA-N 1 1 301.346 1.771 20 5 DDBDMO CO[C@H](C)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172857 702308323 /nfs/dbraw/zinc/30/83/23/702308323.db2.gz OZQIRFUQJHGADM-RISCZKNCSA-N 1 1 308.334 1.747 20 5 DDBDMO CO[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172857 702308330 /nfs/dbraw/zinc/30/83/30/702308330.db2.gz OZQIRFUQJHGADM-RISCZKNCSA-N 1 1 308.334 1.747 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844447173 703032514 /nfs/dbraw/zinc/03/25/14/703032514.db2.gz MXLKAAFWJTVTBZ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844447173 703032517 /nfs/dbraw/zinc/03/25/17/703032517.db2.gz MXLKAAFWJTVTBZ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CCN1C[C@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000846893002 703347782 /nfs/dbraw/zinc/34/77/82/703347782.db2.gz DWEOHQXITBRUEZ-AWEZNQCLSA-N 1 1 307.350 1.910 20 5 DDBDMO CCN1C[C@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000846901845 703349272 /nfs/dbraw/zinc/34/92/72/703349272.db2.gz QGCQXFQUDUPCOX-ZDUSSCGKSA-N 1 1 307.350 1.910 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1Cl ZINC000848925736 703604337 /nfs/dbraw/zinc/60/43/37/703604337.db2.gz FMQDGOQGAQRCRV-NWDGAFQWSA-N 1 1 311.769 1.499 20 5 DDBDMO COC(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000851843886 703868906 /nfs/dbraw/zinc/86/89/06/703868906.db2.gz NYBWTXAJJLYTEE-LLVKDONJSA-N 1 1 310.354 1.485 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000853540925 704263476 /nfs/dbraw/zinc/26/34/76/704263476.db2.gz NABGZEHPLIHRSI-SNVBAGLBSA-N 1 1 302.338 1.690 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587166 704276842 /nfs/dbraw/zinc/27/68/42/704276842.db2.gz FZHUKHOJHPWXHH-VXGBXAGGSA-N 1 1 317.349 1.574 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000821339811 704393445 /nfs/dbraw/zinc/39/34/45/704393445.db2.gz IPBPFKCGURAISS-LBPRGKRZSA-N 1 1 303.362 1.821 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391163 704402821 /nfs/dbraw/zinc/40/28/21/704402821.db2.gz IMSRUJKUYJIPJF-CYBMUJFWSA-N 1 1 315.801 1.993 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828747 705187209 /nfs/dbraw/zinc/18/72/09/705187209.db2.gz HTYIKJFPUPURPI-CHWSQXEVSA-N 1 1 322.340 1.625 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874845997 705200675 /nfs/dbraw/zinc/20/06/75/705200675.db2.gz XBZSUSUIASOXQE-GJZGRUSLSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000823968692 705347079 /nfs/dbraw/zinc/34/70/79/705347079.db2.gz YILNUUOTXZECBL-SNVBAGLBSA-N 1 1 319.365 1.949 20 5 DDBDMO Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000823994246 705350774 /nfs/dbraw/zinc/35/07/74/705350774.db2.gz ORGMDZKJXOJPSI-GFCCVEGCSA-N 1 1 319.365 1.783 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000893877129 710870642 /nfs/dbraw/zinc/87/06/42/710870642.db2.gz UNAMCPZWJXPKNV-CYBMUJFWSA-N 1 1 320.393 1.921 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000861388074 705454720 /nfs/dbraw/zinc/45/47/20/705454720.db2.gz FFFJEWSSBJISDQ-UHFFFAOYSA-N 1 1 316.317 1.643 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC000877752051 706199681 /nfs/dbraw/zinc/19/96/81/706199681.db2.gz LZJDGKLJJXMRQX-CYBMUJFWSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC000877752051 706199682 /nfs/dbraw/zinc/19/96/82/706199682.db2.gz LZJDGKLJJXMRQX-CYBMUJFWSA-N 1 1 322.361 1.974 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829572828 706358668 /nfs/dbraw/zinc/35/86/68/706358668.db2.gz ZLEONQWLJQGVDS-JTQLQIEISA-N 1 1 310.310 1.006 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829572828 706358670 /nfs/dbraw/zinc/35/86/70/706358670.db2.gz ZLEONQWLJQGVDS-JTQLQIEISA-N 1 1 310.310 1.006 20 5 DDBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000880092305 706876895 /nfs/dbraw/zinc/87/68/95/706876895.db2.gz MZSCYGMMOWYSQD-XQQFMLRXSA-N 1 1 321.377 1.929 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872772270 707593540 /nfs/dbraw/zinc/59/35/40/707593540.db2.gz SABRUXSAYONFRD-LLVKDONJSA-N 1 1 320.353 1.160 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872772270 707593543 /nfs/dbraw/zinc/59/35/43/707593543.db2.gz SABRUXSAYONFRD-LLVKDONJSA-N 1 1 320.353 1.160 20 5 DDBDMO CCO[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000897068935 708222325 /nfs/dbraw/zinc/22/23/25/708222325.db2.gz PNFGLENDJNRTDI-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000897068935 708222328 /nfs/dbraw/zinc/22/23/28/708222328.db2.gz PNFGLENDJNRTDI-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219630 708257164 /nfs/dbraw/zinc/25/71/64/708257164.db2.gz MEXGMYHIKGALJH-CHWSQXEVSA-N 1 1 322.365 1.034 20 5 DDBDMO C[C@@](O)(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)F ZINC000885935287 708666188 /nfs/dbraw/zinc/66/61/88/708666188.db2.gz HGQQXSSGELMJIT-CQSZACIVSA-N 1 1 315.320 1.733 20 5 DDBDMO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000930557250 713865709 /nfs/dbraw/zinc/86/57/09/713865709.db2.gz BPSHQKDAEFKXPC-SNVBAGLBSA-N 1 1 307.119 1.488 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889783129 709634076 /nfs/dbraw/zinc/63/40/76/709634076.db2.gz VLWISJJKFTVIRV-LSDHHAIUSA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000900968694 709854561 /nfs/dbraw/zinc/85/45/61/709854561.db2.gz WRMDPUMODKBGAS-DETPVDSQSA-N 1 1 321.377 1.536 20 5 DDBDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247074 713157359 /nfs/dbraw/zinc/15/73/59/713157359.db2.gz PKSRVOUCOLFRDM-GFCCVEGCSA-N 1 1 307.350 1.494 20 5 DDBDMO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000893264673 710582461 /nfs/dbraw/zinc/58/24/61/710582461.db2.gz GOSGQAVRVOXNNL-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000928555321 713224796 /nfs/dbraw/zinc/22/47/96/713224796.db2.gz OJIUNTCRXHZXRV-GFCCVEGCSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000928555321 713224797 /nfs/dbraw/zinc/22/47/97/713224797.db2.gz OJIUNTCRXHZXRV-GFCCVEGCSA-N 1 1 315.333 1.214 20 5 DDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928569790 713232927 /nfs/dbraw/zinc/23/29/27/713232927.db2.gz RGLXLMCQQFYNDL-CMPLNLGQSA-N 1 1 309.391 1.896 20 5 DDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928569790 713232930 /nfs/dbraw/zinc/23/29/30/713232930.db2.gz RGLXLMCQQFYNDL-CMPLNLGQSA-N 1 1 309.391 1.896 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)c1C ZINC000895464034 711518746 /nfs/dbraw/zinc/51/87/46/711518746.db2.gz BXYKSGHJFCTONC-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895701614 711581819 /nfs/dbraw/zinc/58/18/19/711581819.db2.gz AYAUYZQTIRRUQW-HNNXBMFYSA-N 1 1 308.334 1.321 20 5 DDBDMO Cc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000896219942 711693535 /nfs/dbraw/zinc/69/35/35/711693535.db2.gz JMEWOKOFZXWPCK-ZFWWWQNUSA-N 1 1 318.377 1.749 20 5 DDBDMO C[N@@H+]1CCC[C@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000917228687 713488385 /nfs/dbraw/zinc/48/83/85/713488385.db2.gz ZJMIPDVHVTWJMD-QMMMGPOBSA-N 1 1 316.155 1.613 20 5 DDBDMO C[N@H+]1CCC[C@H]1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000917228687 713488387 /nfs/dbraw/zinc/48/83/87/713488387.db2.gz ZJMIPDVHVTWJMD-QMMMGPOBSA-N 1 1 316.155 1.613 20 5 DDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(C(F)(F)F)cc1 ZINC000905116646 711941404 /nfs/dbraw/zinc/94/14/04/711941404.db2.gz HYBKRFFXXAYYLM-LLVKDONJSA-N 1 1 317.267 1.677 20 5 DDBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(F)c(Cl)c1 ZINC000905202481 711966680 /nfs/dbraw/zinc/96/66/80/711966680.db2.gz MNGPPPIBJBTEQJ-NSHDSACASA-N 1 1 301.705 1.451 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000905696097 712121749 /nfs/dbraw/zinc/12/17/49/712121749.db2.gz SYZMCVHPUZKARB-LLVKDONJSA-N 1 1 318.333 1.597 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCO[C@@H]3CCOC3)C2)nc1 ZINC000929988916 713730009 /nfs/dbraw/zinc/73/00/09/713730009.db2.gz OOYWMASFHLUNNZ-TZMCWYRMSA-N 1 1 322.365 1.282 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCS1(=O)=O ZINC000930354565 713812575 /nfs/dbraw/zinc/81/25/75/713812575.db2.gz QBEZIWRKULLONV-CQSZACIVSA-N 1 1 312.391 1.646 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCS1(=O)=O ZINC000930354565 713812579 /nfs/dbraw/zinc/81/25/79/713812579.db2.gz QBEZIWRKULLONV-CQSZACIVSA-N 1 1 312.391 1.646 20 5 DDBDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095198 714000378 /nfs/dbraw/zinc/00/03/78/714000378.db2.gz WYCXBPYDMUSYFA-OAHLLOKOSA-N 1 1 308.382 1.263 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000931564208 714129238 /nfs/dbraw/zinc/12/92/38/714129238.db2.gz VINJQZMPGZQNOI-CHWSQXEVSA-N 1 1 313.398 1.985 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000931564211 714129327 /nfs/dbraw/zinc/12/93/27/714129327.db2.gz VINJQZMPGZQNOI-STQMWFEESA-N 1 1 313.398 1.985 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932003464 714230776 /nfs/dbraw/zinc/23/07/76/714230776.db2.gz PWASTLKWPCSLRX-JSGCOSHPSA-N 1 1 308.334 1.323 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000923330845 714317109 /nfs/dbraw/zinc/31/71/09/714317109.db2.gz CJSDOWYUUOJWJF-SLBVQIDZSA-N 1 1 305.378 1.687 20 5 DDBDMO C[C@@H]1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923379846 714334773 /nfs/dbraw/zinc/33/47/73/714334773.db2.gz ABGFVIVNJNLOMI-FAXLKDOZSA-N 1 1 307.394 1.933 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933171384 714527280 /nfs/dbraw/zinc/52/72/80/714527280.db2.gz STKQZOXRRYPUAP-UXIGCNINSA-N 1 1 322.361 1.902 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120441 714747359 /nfs/dbraw/zinc/74/73/59/714747359.db2.gz HFAHTNJCMULCOG-AAEUAGOBSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120441 714747360 /nfs/dbraw/zinc/74/73/60/714747360.db2.gz HFAHTNJCMULCOG-AAEUAGOBSA-N 1 1 307.350 1.951 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000925345678 714822446 /nfs/dbraw/zinc/82/24/46/714822446.db2.gz XRTKDYAZUDWVDN-IUODEOHRSA-N 1 1 320.393 1.871 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000925345677 714822455 /nfs/dbraw/zinc/82/24/55/714822455.db2.gz XRTKDYAZUDWVDN-DOMZBBRYSA-N 1 1 320.393 1.871 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cn1 ZINC001106809502 746138268 /nfs/dbraw/zinc/13/82/68/746138268.db2.gz VJDMNECXCRCRHP-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC001200471546 748265333 /nfs/dbraw/zinc/26/53/33/748265333.db2.gz NQNYFYZHBNHWBQ-SNVBAGLBSA-N 1 1 316.379 1.516 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039485539 762071925 /nfs/dbraw/zinc/07/19/25/762071925.db2.gz DOAVHJBDCWIWRH-HZPDHXFCSA-N 1 1 321.421 1.765 20 5 DDBDMO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186648 751269001 /nfs/dbraw/zinc/26/90/01/751269001.db2.gz HXZBGWMOGAGPPK-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186648 751269007 /nfs/dbraw/zinc/26/90/07/751269007.db2.gz HXZBGWMOGAGPPK-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186648 751269014 /nfs/dbraw/zinc/26/90/14/751269014.db2.gz HXZBGWMOGAGPPK-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO COC[C@H]1Cn2nccc2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026719 762203069 /nfs/dbraw/zinc/20/30/69/762203069.db2.gz NLIUFLOZFOOPOV-BFHYXJOUSA-N 1 1 308.382 1.407 20 5 DDBDMO COC(=O)c1cnc2c(c1)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169055914 762209771 /nfs/dbraw/zinc/20/97/71/762209771.db2.gz RFGKWGUWYYRBGX-FZMZJTMJSA-N 1 1 319.361 1.672 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097212185 756980922 /nfs/dbraw/zinc/98/09/22/756980922.db2.gz NNGQLYHUSTYPQI-OKILXGFUSA-N 1 1 320.393 1.996 20 5 DDBDMO CC1(C)CC(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001001400321 762826355 /nfs/dbraw/zinc/82/63/55/762826355.db2.gz QJEQZWRQPXNIHA-HUUCEWRRSA-N 1 1 323.437 1.916 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCOC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335726 766257386 /nfs/dbraw/zinc/25/73/86/766257386.db2.gz QPIBKPMOHIEPAV-MLGOLLRUSA-N 1 1 324.377 1.618 20 5 DDBDMO O=C(C1CC1)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048635542 769603382 /nfs/dbraw/zinc/60/33/82/769603382.db2.gz CDGRDRWUVKGHKV-BETUJISGSA-N 1 1 321.402 1.957 20 5 DDBDMO O=C(C1CC1)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048635542 769603384 /nfs/dbraw/zinc/60/33/84/769603384.db2.gz CDGRDRWUVKGHKV-BETUJISGSA-N 1 1 321.402 1.957 20 5 DDBDMO CC[C@]([NH3+])(CO)Nc1nccc(Br)c1[N+](=O)[O-] ZINC001170865266 771778059 /nfs/dbraw/zinc/77/80/59/771778059.db2.gz ZVJVUJSAUDKUFG-SECBINFHSA-N 1 1 305.132 1.222 20 5 DDBDMO Cc1cc(N[C@@H](N)CCC[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170897296 771897212 /nfs/dbraw/zinc/89/72/12/771897212.db2.gz LXNCSKFUEFWSON-CYBMUJFWSA-N 1 1 316.365 1.796 20 5 DDBDMO Cc1ccnc(NCCNC(=O)C[N@H+](C)C2CCC2)c1[N+](=O)[O-] ZINC001094221356 775541100 /nfs/dbraw/zinc/54/11/00/775541100.db2.gz AUCIDWBYNJUIKI-UHFFFAOYSA-N 1 1 321.381 1.311 20 5 DDBDMO COC(=O)[C@H](CN)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901364 776915881 /nfs/dbraw/zinc/91/58/81/776915881.db2.gz MLFIQNNPCBLZCV-KGLIPLIRSA-N 1 1 321.377 1.180 20 5 DDBDMO O=C1OCC[C@@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001177001139 778383666 /nfs/dbraw/zinc/38/36/66/778383666.db2.gz BZDITDKELZAOGV-CQSZACIVSA-N 1 1 321.289 1.642 20 5 DDBDMO O=C1OCC[C@@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001177001139 778383670 /nfs/dbraw/zinc/38/36/70/778383670.db2.gz BZDITDKELZAOGV-CQSZACIVSA-N 1 1 321.289 1.642 20 5 DDBDMO Cc1nocc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458354 779058477 /nfs/dbraw/zinc/05/84/77/779058477.db2.gz CKEDBJCRZMHPKM-ZIAGYGMSSA-N 1 1 324.381 1.414 20 5 DDBDMO CCc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268791207 840818587 /nfs/dbraw/zinc/81/85/87/840818587.db2.gz MYVDLBULLGVAAX-BXUZGUMPSA-N 1 1 324.381 1.149 20 5 DDBDMO O=C(CCc1cnc[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326852446 861660116 /nfs/dbraw/zinc/66/01/16/861660116.db2.gz JEPSGXCDYSXXHG-UHFFFAOYSA-N 1 1 318.337 1.311 20 5 DDBDMO COc1ncnc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021298 850518357 /nfs/dbraw/zinc/51/83/57/850518357.db2.gz KLLPFFRQTUERTH-VXGBXAGGSA-N 1 1 306.366 1.331 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001121918265 858633108 /nfs/dbraw/zinc/63/31/08/858633108.db2.gz DEHUSFDCVPKUFH-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1(O)CCC1)CC2 ZINC001329224490 863546528 /nfs/dbraw/zinc/54/65/28/863546528.db2.gz YHXITANBWMPPBU-OAHLLOKOSA-N 1 1 306.362 1.619 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC1(O)CCC1)CC2 ZINC001329224490 863546533 /nfs/dbraw/zinc/54/65/33/863546533.db2.gz YHXITANBWMPPBU-OAHLLOKOSA-N 1 1 306.362 1.619 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001157271047 863700589 /nfs/dbraw/zinc/70/05/89/863700589.db2.gz HGXSPGPUIWXBTK-MWLCHTKSSA-N 1 1 312.757 1.412 20 5 DDBDMO COc1ncnc(NCC[C@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001162810280 867844702 /nfs/dbraw/zinc/84/47/02/867844702.db2.gz KEHSYCLPSYRFEC-MRVPVSSYSA-N 1 1 317.296 1.440 20 5 DDBDMO Nc1cc(NCC[C@@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162813675 867847144 /nfs/dbraw/zinc/84/71/44/867847144.db2.gz YAYLIDKJRIZVBK-QMMMGPOBSA-N 1 1 301.297 1.619 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C[C@H](OC)C(F)(F)F)c1[N+](=O)[O-] ZINC001335441810 868299329 /nfs/dbraw/zinc/29/93/29/868299329.db2.gz UQERIECOBLWFCI-VIFPVBQESA-N 1 1 324.255 1.976 20 5 DDBDMO CNc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164211877 869018717 /nfs/dbraw/zinc/01/87/17/869018717.db2.gz UUCICZSHICABNW-UHFFFAOYSA-N 1 1 322.413 1.469 20 5 DDBDMO [NH3+][C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCC1(F)F ZINC001164327710 869130952 /nfs/dbraw/zinc/13/09/52/869130952.db2.gz PYEFTNUKTOUYNU-JTQLQIEISA-N 1 1 309.276 1.711 20 5 DDBDMO Cc1oncc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494559 869232437 /nfs/dbraw/zinc/23/24/37/869232437.db2.gz MGKVCXDBEPLFOC-CHWSQXEVSA-N 1 1 322.365 1.024 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001337837313 869653217 /nfs/dbraw/zinc/65/32/17/869653217.db2.gz ZXRKZUFYVVHDNO-MELADBBJSA-N 1 1 303.362 1.973 20 5 DDBDMO Cc1cccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1[N+](=O)[O-] ZINC001338162753 869842749 /nfs/dbraw/zinc/84/27/49/869842749.db2.gz MOWNPCGUQRPUCT-XJKSGUPXSA-N 1 1 321.377 1.541 20 5 DDBDMO Nc1ccn(Cc2[nH+]ccn2CC(F)(F)F)c(=O)c1[N+](=O)[O-] ZINC001166501171 870029929 /nfs/dbraw/zinc/02/99/29/870029929.db2.gz OOWBIMAQMNHOKP-UHFFFAOYSA-N 1 1 317.227 1.146 20 5 DDBDMO CC(CC(=O)OC(C)C)=Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001166748612 870219147 /nfs/dbraw/zinc/21/91/47/870219147.db2.gz ZQMCDUCHXOHHLK-WTKPLQERSA-N 1 1 321.337 1.339 20 5 DDBDMO C[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[C@H](C)[N@H+]1C ZINC001298676636 870669801 /nfs/dbraw/zinc/66/98/01/870669801.db2.gz IXOXXSBZDVAIJL-KNVOCYPGSA-N 1 1 301.734 1.136 20 5 DDBDMO C[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[C@H](C)[N@@H+]1C ZINC001298676636 870669808 /nfs/dbraw/zinc/66/98/08/870669808.db2.gz IXOXXSBZDVAIJL-KNVOCYPGSA-N 1 1 301.734 1.136 20 5 DDBDMO O=C(CCCF)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001318146369 871778316 /nfs/dbraw/zinc/77/83/16/871778316.db2.gz RFHIRXXJJHQLEQ-UHFFFAOYSA-N 1 1 309.341 1.893 20 5 DDBDMO CCc1[nH+]ccn1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001213722735 876029988 /nfs/dbraw/zinc/02/99/88/876029988.db2.gz MYBSOSMUNPXFEE-UHFFFAOYSA-N 1 1 324.362 1.332 20 5 DDBDMO COC(=O)[C@H](O[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644524 881039008 /nfs/dbraw/zinc/03/90/08/881039008.db2.gz VHJWCLKWPXEDKR-SMDDNHRTSA-N 1 1 308.334 1.920 20 5 DDBDMO CC[N@@H+]1CCC[C@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228813267 883683806 /nfs/dbraw/zinc/68/38/06/883683806.db2.gz AKEHBKLNUWUSJH-JTQLQIEISA-N 1 1 324.333 1.950 20 5 DDBDMO CC[N@H+]1CCC[C@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228813267 883683816 /nfs/dbraw/zinc/68/38/16/883683816.db2.gz AKEHBKLNUWUSJH-JTQLQIEISA-N 1 1 324.333 1.950 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001234243575 887783815 /nfs/dbraw/zinc/78/38/15/887783815.db2.gz JOLXFUBBRJHLPY-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[C@H]1C(=O)NCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478765 896457015 /nfs/dbraw/zinc/45/70/15/896457015.db2.gz IXXOUTZZSNRJDX-LBPRGKRZSA-N 1 1 318.377 1.384 20 5 DDBDMO C[C@H]1C(=O)NCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478765 896457022 /nfs/dbraw/zinc/45/70/22/896457022.db2.gz IXXOUTZZSNRJDX-LBPRGKRZSA-N 1 1 318.377 1.384 20 5 DDBDMO O=C1NCC[C@]12CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594363 896522226 /nfs/dbraw/zinc/52/22/26/896522226.db2.gz QIINQQHGKCDKHJ-GOEBONIOSA-N 1 1 301.346 1.274 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](N3CCOCC3)C1)C2 ZINC001254601424 896524826 /nfs/dbraw/zinc/52/48/26/896524826.db2.gz ZSBKLWOGNIYUIX-DLBZAZTESA-N 1 1 317.389 1.469 20 5 DDBDMO C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCS(=O)(=O)CC1 ZINC001254605065 896526450 /nfs/dbraw/zinc/52/64/50/896526450.db2.gz ZWYGSDCWJWULIC-HNNXBMFYSA-N 1 1 324.402 1.571 20 5 DDBDMO Cc1cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001264010884 900871291 /nfs/dbraw/zinc/87/12/91/900871291.db2.gz NTGOPCKNHJMBAM-ZDUSSCGKSA-N 1 1 305.334 1.562 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)[NH+]1CCOCC1 ZINC000278374415 214124281 /nfs/dbraw/zinc/12/42/81/214124281.db2.gz DTEKGMJHBFBTON-GHMZBOCLSA-N 1 1 319.365 1.992 20 5 DDBDMO CN1CC[NH+](CCCn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000272863891 210257548 /nfs/dbraw/zinc/25/75/48/210257548.db2.gz VBSDFGLEFNEDIP-UHFFFAOYSA-N 1 1 314.773 1.047 20 5 DDBDMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457350 231101965 /nfs/dbraw/zinc/10/19/65/231101965.db2.gz MGWQVHCBVYCNJO-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457350 231101968 /nfs/dbraw/zinc/10/19/68/231101968.db2.gz MGWQVHCBVYCNJO-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452113977 231306137 /nfs/dbraw/zinc/30/61/37/231306137.db2.gz JDDJVBZRAOBHFN-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO COCCC[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614996518 362111113 /nfs/dbraw/zinc/11/11/13/362111113.db2.gz HSIWVPUNRSAELF-UHFFFAOYSA-N 1 1 309.322 1.567 20 5 DDBDMO C[N@@H+](CC(C)(C)CO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451260357 529848236 /nfs/dbraw/zinc/84/82/36/529848236.db2.gz ZKUVJAYKYVXOHT-CQSZACIVSA-N 1 1 321.377 1.650 20 5 DDBDMO CN(CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266333745 282339942 /nfs/dbraw/zinc/33/99/42/282339942.db2.gz WJELZZUJZGSIGL-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO C[NH2+]C[C@H](C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414844968 529999018 /nfs/dbraw/zinc/99/90/18/529999018.db2.gz RZNNYFGZLKXWMH-LBPRGKRZSA-N 1 1 317.393 1.940 20 5 DDBDMO C[N@@H+](CCCCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279693286 215066549 /nfs/dbraw/zinc/06/65/49/215066549.db2.gz HYKHGVNOMJXLAN-UHFFFAOYSA-N 1 1 321.377 1.578 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+]Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000261942619 282568591 /nfs/dbraw/zinc/56/85/91/282568591.db2.gz LTJBNIPNWSJXNA-UHFFFAOYSA-N 1 1 300.318 1.683 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279953846 215266867 /nfs/dbraw/zinc/26/68/67/215266867.db2.gz YZUAVVRZDDGWPZ-LBPRGKRZSA-N 1 1 319.361 1.188 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279953846 215266870 /nfs/dbraw/zinc/26/68/70/215266870.db2.gz YZUAVVRZDDGWPZ-LBPRGKRZSA-N 1 1 319.361 1.188 20 5 DDBDMO COC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181878947 186214430 /nfs/dbraw/zinc/21/44/30/186214430.db2.gz SIPZURBNOKEKJI-KBPBESRZSA-N 1 1 324.377 1.693 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000191854495 186264771 /nfs/dbraw/zinc/26/47/71/186264771.db2.gz VMXLUOKTKZIKBP-NEPJUHHUSA-N 1 1 321.381 1.368 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264264189 186332438 /nfs/dbraw/zinc/33/24/38/186332438.db2.gz JYRLDHQUUQARIH-UHFFFAOYSA-N 1 1 324.356 1.101 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000281322773 186523826 /nfs/dbraw/zinc/52/38/26/186523826.db2.gz YECQAMMQYQKFMN-HNNXBMFYSA-N 1 1 307.350 1.561 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000026342639 352208203 /nfs/dbraw/zinc/20/82/03/352208203.db2.gz SNQDMJHBKJWJPA-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C)C1 ZINC000026342639 352208205 /nfs/dbraw/zinc/20/82/05/352208205.db2.gz SNQDMJHBKJWJPA-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000041926523 352318874 /nfs/dbraw/zinc/31/88/74/352318874.db2.gz FBFFEYAYICOISK-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO COC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053898174 352670753 /nfs/dbraw/zinc/67/07/53/352670753.db2.gz VGJVGZFLNGJQJN-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000061205603 352885565 /nfs/dbraw/zinc/88/55/65/352885565.db2.gz UDTWCZOVMSVTBJ-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413287 353047612 /nfs/dbraw/zinc/04/76/12/353047612.db2.gz WBUCLYVHMDQEET-HNNXBMFYSA-N 1 1 305.378 1.985 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000174321503 198318895 /nfs/dbraw/zinc/31/88/95/198318895.db2.gz VBIKHVAJGDKCAG-LLVKDONJSA-N 1 1 321.381 1.438 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174705039 198372835 /nfs/dbraw/zinc/37/28/35/198372835.db2.gz CJIWUNZYYZCYRC-NSHDSACASA-N 1 1 323.349 1.246 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000174715832 198373679 /nfs/dbraw/zinc/37/36/79/198373679.db2.gz BTRPZOLFKTVCCP-INIZCTEOSA-N 1 1 316.361 1.817 20 5 DDBDMO Cc1nc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090146177 353791525 /nfs/dbraw/zinc/79/15/25/353791525.db2.gz LVJXVQPFSQPTJQ-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1nc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090146177 353791527 /nfs/dbraw/zinc/79/15/27/353791527.db2.gz LVJXVQPFSQPTJQ-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)C1CCCCC1 ZINC000090565236 353795495 /nfs/dbraw/zinc/79/54/95/353795495.db2.gz LHDIJMYYDBPPFA-UHFFFAOYSA-N 1 1 309.366 1.384 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000093343810 353897710 /nfs/dbraw/zinc/89/77/10/353897710.db2.gz KLMZZELQQXHDAC-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108342753 353951333 /nfs/dbraw/zinc/95/13/33/353951333.db2.gz GILLHDNGKFHMJM-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055449 354228773 /nfs/dbraw/zinc/22/87/73/354228773.db2.gz CACLFRXXZRBNNI-AAEUAGOBSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055449 354228777 /nfs/dbraw/zinc/22/87/77/354228777.db2.gz CACLFRXXZRBNNI-AAEUAGOBSA-N 1 1 307.350 1.352 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](O)C1CC1 ZINC000305239887 354469817 /nfs/dbraw/zinc/46/98/17/354469817.db2.gz QLOPQBJCUKUMRD-OAHLLOKOSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](O)C1CC1 ZINC000305239887 354469820 /nfs/dbraw/zinc/46/98/20/354469820.db2.gz QLOPQBJCUKUMRD-OAHLLOKOSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](C)[NH+]1CCOCC1 ZINC000587882051 354886221 /nfs/dbraw/zinc/88/62/21/354886221.db2.gz RVBINPWAZUTNER-QWRGUYRKSA-N 1 1 324.381 1.190 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861873 354944154 /nfs/dbraw/zinc/94/41/54/354944154.db2.gz VTYRTBXSUPIVGC-NWDGAFQWSA-N 1 1 323.324 1.015 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000589494150 354996025 /nfs/dbraw/zinc/99/60/25/354996025.db2.gz GCHYUJLICWYEEL-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCCO2)c1 ZINC000589494150 354996028 /nfs/dbraw/zinc/99/60/28/354996028.db2.gz GCHYUJLICWYEEL-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045623 355043757 /nfs/dbraw/zinc/04/37/57/355043757.db2.gz SKKDWERJXVPTKH-NJZAAPMLSA-N 1 1 303.362 1.861 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000590548467 355110952 /nfs/dbraw/zinc/11/09/52/355110952.db2.gz FBVBGUNVRJWQIY-QWHCGFSZSA-N 1 1 319.361 1.184 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403651 355085622 /nfs/dbraw/zinc/08/56/22/355085622.db2.gz LLZRDAJUGYRHRW-VHSXEESVSA-N 1 1 309.370 1.606 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205585 355536999 /nfs/dbraw/zinc/53/69/99/355536999.db2.gz DBOWGBVAMPIWTL-QKCSRTOESA-N 1 1 308.334 1.512 20 5 DDBDMO CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592832113 355707063 /nfs/dbraw/zinc/70/70/63/355707063.db2.gz QGQURPPYGOWQDV-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nncn2C)CC1 ZINC000594612849 356265899 /nfs/dbraw/zinc/26/58/99/356265899.db2.gz NCXGCZBMBBUADW-UHFFFAOYSA-N 1 1 316.365 1.354 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595494871 356517859 /nfs/dbraw/zinc/51/78/59/356517859.db2.gz CMSZEHUVAJISER-GFCCVEGCSA-N 1 1 310.354 1.629 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595494871 356517862 /nfs/dbraw/zinc/51/78/62/356517862.db2.gz CMSZEHUVAJISER-GFCCVEGCSA-N 1 1 310.354 1.629 20 5 DDBDMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657527 356594726 /nfs/dbraw/zinc/59/47/26/356594726.db2.gz MKNGNUAQGDWKRP-INIZCTEOSA-N 1 1 316.361 1.519 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767447 356644293 /nfs/dbraw/zinc/64/42/93/356644293.db2.gz XKZTXERIGOUDCY-RWMBFGLXSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757042 356638437 /nfs/dbraw/zinc/63/84/37/356638437.db2.gz LJOBUPVWQCGXJP-JRPNMDOOSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757042 356638440 /nfs/dbraw/zinc/63/84/40/356638440.db2.gz LJOBUPVWQCGXJP-JRPNMDOOSA-N 1 1 305.334 1.379 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595759606 356640627 /nfs/dbraw/zinc/64/06/27/356640627.db2.gz XSWGROGHVLQOOZ-XHDPSFHLSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595829064 356666817 /nfs/dbraw/zinc/66/68/17/356666817.db2.gz GZIPKAKGGPCPEG-STQMWFEESA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595829064 356666819 /nfs/dbraw/zinc/66/68/19/356666819.db2.gz GZIPKAKGGPCPEG-STQMWFEESA-N 1 1 319.361 1.810 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cs1 ZINC000595866385 356684184 /nfs/dbraw/zinc/68/41/84/356684184.db2.gz LFNAITSJJSULQB-ZDUSSCGKSA-N 1 1 311.407 1.687 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595906848 356700955 /nfs/dbraw/zinc/70/09/55/356700955.db2.gz OISAGILRIMBPST-VXGBXAGGSA-N 1 1 324.356 1.603 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](F)[C@H](N)C2)cccc1[N+](=O)[O-] ZINC000595906848 356700960 /nfs/dbraw/zinc/70/09/60/356700960.db2.gz OISAGILRIMBPST-VXGBXAGGSA-N 1 1 324.356 1.603 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000595915181 356703499 /nfs/dbraw/zinc/70/34/99/356703499.db2.gz KWJAWZSCYDCDRB-QEJZJMRPSA-N 1 1 308.382 1.807 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596071068 356761884 /nfs/dbraw/zinc/76/18/84/356761884.db2.gz XIBSXZWNBDKMDX-PHIMTYICSA-N 1 1 310.354 1.607 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596146732 356791311 /nfs/dbraw/zinc/79/13/11/356791311.db2.gz IPBQWBODQCQTLS-UHFFFAOYSA-N 1 1 310.354 1.242 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596136092 356786452 /nfs/dbraw/zinc/78/64/52/356786452.db2.gz HCUIDCOHBPWMAQ-RISCZKNCSA-N 1 1 320.393 1.860 20 5 DDBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@@H+](CC)C1 ZINC000598042773 357439443 /nfs/dbraw/zinc/43/94/43/357439443.db2.gz YATPBODSMDUCKK-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NC3CC([NH+]4CCOCC4)C3)[nH]c2c1 ZINC000599095853 357814171 /nfs/dbraw/zinc/81/41/71/357814171.db2.gz WPRNRCQXCSLLDR-UHFFFAOYSA-N 1 1 317.349 1.168 20 5 DDBDMO Cn1cc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000599333898 357897723 /nfs/dbraw/zinc/89/77/23/357897723.db2.gz BMHSWZKTGYKOGE-UHFFFAOYSA-N 1 1 301.350 1.930 20 5 DDBDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689904 358027142 /nfs/dbraw/zinc/02/71/42/358027142.db2.gz LLRZMWMUWOUTCZ-MZSZDEQASA-N 1 1 308.382 1.830 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)CO)cs2)c1 ZINC000276706002 213058027 /nfs/dbraw/zinc/05/80/27/213058027.db2.gz FYJRPHLAAHGELG-LBPRGKRZSA-N 1 1 309.347 1.161 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000600313120 358193439 /nfs/dbraw/zinc/19/34/39/358193439.db2.gz HXEYEHYAIFVWLX-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000600677248 358280361 /nfs/dbraw/zinc/28/03/61/358280361.db2.gz CWZAPKYVJPKINT-SNVBAGLBSA-N 1 1 317.292 1.274 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000276627922 213009000 /nfs/dbraw/zinc/00/90/00/213009000.db2.gz VRYGDUKREGRVPS-NWDGAFQWSA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000565579969 304077030 /nfs/dbraw/zinc/07/70/30/304077030.db2.gz OXGREKMDVBFPGM-QWHCGFSZSA-N 1 1 321.381 1.749 20 5 DDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601191190 358440671 /nfs/dbraw/zinc/44/06/71/358440671.db2.gz JZYNVPRVGYUCIL-NSHDSACASA-N 1 1 313.377 1.813 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601191190 358440675 /nfs/dbraw/zinc/44/06/75/358440675.db2.gz JZYNVPRVGYUCIL-NSHDSACASA-N 1 1 313.377 1.813 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602476383 359003758 /nfs/dbraw/zinc/00/37/58/359003758.db2.gz MJJIZRIVVLQPIJ-JTQLQIEISA-N 1 1 310.354 1.492 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602476383 359003760 /nfs/dbraw/zinc/00/37/60/359003760.db2.gz MJJIZRIVVLQPIJ-JTQLQIEISA-N 1 1 310.354 1.492 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])n1 ZINC000602620621 359078408 /nfs/dbraw/zinc/07/84/08/359078408.db2.gz YNAHQTCNGZFUEX-MRXNPFEDSA-N 1 1 314.345 1.960 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])n1 ZINC000602620621 359078413 /nfs/dbraw/zinc/07/84/13/359078413.db2.gz YNAHQTCNGZFUEX-MRXNPFEDSA-N 1 1 314.345 1.960 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000602795321 359198262 /nfs/dbraw/zinc/19/82/62/359198262.db2.gz HUHOLHMXOWNHJD-TZMCWYRMSA-N 1 1 318.381 1.879 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000602796884 359199491 /nfs/dbraw/zinc/19/94/91/359199491.db2.gz ALCHBFJFLALGSF-KBPBESRZSA-N 1 1 308.382 1.848 20 5 DDBDMO COC[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000602933118 359303660 /nfs/dbraw/zinc/30/36/60/359303660.db2.gz RTMCSMKWNGUMQJ-HNNXBMFYSA-N 1 1 312.366 1.869 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000603203930 359479129 /nfs/dbraw/zinc/47/91/29/359479129.db2.gz RXWRRUJPIYHQBL-UHFFFAOYSA-N 1 1 305.313 1.970 20 5 DDBDMO C[N@@H+](CCn1ccc(N)c([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000603419831 359629409 /nfs/dbraw/zinc/62/94/09/359629409.db2.gz AVPVZOHORCTNBO-UHFFFAOYSA-N 1 1 302.334 1.471 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCCO)C1CC1 ZINC000610132992 360385072 /nfs/dbraw/zinc/38/50/72/360385072.db2.gz PHJQXDGAEIQWOS-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCCO)C1CC1 ZINC000610132992 360385077 /nfs/dbraw/zinc/38/50/77/360385077.db2.gz PHJQXDGAEIQWOS-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000611185703 360653429 /nfs/dbraw/zinc/65/34/29/360653429.db2.gz OJDAFRHPBZXCPS-UHFFFAOYSA-N 1 1 309.366 1.648 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611087359 360619078 /nfs/dbraw/zinc/61/90/78/360619078.db2.gz BOJVPDDJSCYCCG-GFCCVEGCSA-N 1 1 321.377 1.699 20 5 DDBDMO CC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092300 360621362 /nfs/dbraw/zinc/62/13/62/360621362.db2.gz ODQPXSBFMFBKHQ-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611555698 360757434 /nfs/dbraw/zinc/75/74/34/360757434.db2.gz URFYBBXRJVYCFJ-LBPRGKRZSA-N 1 1 307.350 1.903 20 5 DDBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000619221243 363937715 /nfs/dbraw/zinc/93/77/15/363937715.db2.gz BKKPHJKRJNWJTA-CQSZACIVSA-N 1 1 308.334 1.569 20 5 DDBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000619221243 363937718 /nfs/dbraw/zinc/93/77/18/363937718.db2.gz BKKPHJKRJNWJTA-CQSZACIVSA-N 1 1 308.334 1.569 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000619578851 364070705 /nfs/dbraw/zinc/07/07/05/364070705.db2.gz SAORSRHOXZELHL-NSHDSACASA-N 1 1 309.370 1.193 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293061555 223377296 /nfs/dbraw/zinc/37/72/96/223377296.db2.gz IMNDROKKUWQIEM-RISCZKNCSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](O)CC1 ZINC000293061555 223377297 /nfs/dbraw/zinc/37/72/97/223377297.db2.gz IMNDROKKUWQIEM-RISCZKNCSA-N 1 1 307.350 1.769 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCSCC1 ZINC000264801749 204166400 /nfs/dbraw/zinc/16/64/00/204166400.db2.gz MYHARPOLJRJJRE-UHFFFAOYSA-N 1 1 309.391 1.302 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000266012910 205026294 /nfs/dbraw/zinc/02/62/94/205026294.db2.gz IBYJCVBWDFYQOA-UHFFFAOYSA-N 1 1 320.393 1.271 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288317845 220081483 /nfs/dbraw/zinc/08/14/83/220081483.db2.gz HUTIERCHTYGXCI-NSHDSACASA-N 1 1 323.397 1.351 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000266419197 205333415 /nfs/dbraw/zinc/33/34/15/205333415.db2.gz IKDZKBBSJWMWAF-GDBMZVCRSA-N 1 1 316.361 1.772 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464772 205366509 /nfs/dbraw/zinc/36/65/09/205366509.db2.gz ANTVJYIWWLQXLU-GHMZBOCLSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464772 205366513 /nfs/dbraw/zinc/36/65/13/205366513.db2.gz ANTVJYIWWLQXLU-GHMZBOCLSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464772 205366517 /nfs/dbraw/zinc/36/65/17/205366517.db2.gz ANTVJYIWWLQXLU-GHMZBOCLSA-N 1 1 307.354 1.325 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288490008 220174855 /nfs/dbraw/zinc/17/48/55/220174855.db2.gz ROIRPQDEJWBKOD-QWRGUYRKSA-N 1 1 321.381 1.579 20 5 DDBDMO Cc1c(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000284471389 218040585 /nfs/dbraw/zinc/04/05/85/218040585.db2.gz AGLHBCNXDNPPAF-JKSUJKDBSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cncc1F ZINC000285594559 218528790 /nfs/dbraw/zinc/52/87/90/218528790.db2.gz IYNIMSWFMKGMMG-SECBINFHSA-N 1 1 324.287 1.781 20 5 DDBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000110653769 194346986 /nfs/dbraw/zinc/34/69/86/194346986.db2.gz VGIDGPZWWIGNEB-SNVBAGLBSA-N 1 1 309.391 1.998 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106285 251384438 /nfs/dbraw/zinc/38/44/38/251384438.db2.gz WKAZQVMWPSDXQI-RYUDHWBXSA-N 1 1 306.366 1.321 20 5 DDBDMO CN(C(=O)C[N@@H+](CCO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000352464933 285069958 /nfs/dbraw/zinc/06/99/58/285069958.db2.gz ZDIYOFUWLUYTJO-UHFFFAOYSA-N 1 1 307.350 1.262 20 5 DDBDMO COC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000452078492 533134235 /nfs/dbraw/zinc/13/42/35/533134235.db2.gz DPBIPMVMPCERNM-ZDUSSCGKSA-N 1 1 309.366 1.505 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352657093 285201344 /nfs/dbraw/zinc/20/13/44/285201344.db2.gz FAMUJIGAQJNBMP-SCRDCRAPSA-N 1 1 310.350 1.180 20 5 DDBDMO C[N@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCC[C@H]1O ZINC000352668261 285211089 /nfs/dbraw/zinc/21/10/89/285211089.db2.gz QQJFICOFDACSCV-RRFJBIMHSA-N 1 1 319.361 1.545 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487175 221011790 /nfs/dbraw/zinc/01/17/90/221011790.db2.gz SGSYDSXLJWGPLF-WDEREUQCSA-N 1 1 317.349 1.947 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000123486791 291993117 /nfs/dbraw/zinc/99/31/17/291993117.db2.gz QCPNDMVIOUGOBW-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CCn1ccnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569332881 304347045 /nfs/dbraw/zinc/34/70/45/304347045.db2.gz GEPVHAFYNRVGIW-LBPRGKRZSA-N 1 1 320.349 1.341 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000075848992 406943022 /nfs/dbraw/zinc/94/30/22/406943022.db2.gz KJGXXGOMSHIQDM-LBPRGKRZSA-N 1 1 319.361 1.574 20 5 DDBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000090550397 407170123 /nfs/dbraw/zinc/17/01/23/407170123.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 1 1 308.382 1.030 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000055407960 407203179 /nfs/dbraw/zinc/20/31/79/407203179.db2.gz XOGZHPKFVRGPIG-NWDGAFQWSA-N 1 1 309.370 1.028 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107891945 407381270 /nfs/dbraw/zinc/38/12/70/407381270.db2.gz LGVYELJWZIYYQS-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271177868 407556127 /nfs/dbraw/zinc/55/61/27/407556127.db2.gz YEXPEKQAYFVDTO-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO CCCC[C@H](C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261704220 407586563 /nfs/dbraw/zinc/58/65/63/407586563.db2.gz OPAZUZZSJWZZHH-SECBINFHSA-N 1 1 319.358 1.530 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464778 407540012 /nfs/dbraw/zinc/54/00/12/407540012.db2.gz ANTVJYIWWLQXLU-QWRGUYRKSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464778 407540015 /nfs/dbraw/zinc/54/00/15/407540015.db2.gz ANTVJYIWWLQXLU-QWRGUYRKSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464778 407540020 /nfs/dbraw/zinc/54/00/20/407540020.db2.gz ANTVJYIWWLQXLU-QWRGUYRKSA-N 1 1 307.354 1.325 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCn3ccnc3)C2)nc1 ZINC000131883847 407756058 /nfs/dbraw/zinc/75/60/58/407756058.db2.gz WXNDUIAWACCLGF-GFCCVEGCSA-N 1 1 302.338 1.373 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000186725914 407756954 /nfs/dbraw/zinc/75/69/54/407756954.db2.gz CDFAUYPTDDIWFH-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000179259060 407762772 /nfs/dbraw/zinc/76/27/72/407762772.db2.gz QLSVBUGEHUCIQH-CYBMUJFWSA-N 1 1 323.418 1.991 20 5 DDBDMO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237441407 407818267 /nfs/dbraw/zinc/81/82/67/407818267.db2.gz TVDXZADYHAEZKR-ZANVPECISA-N 1 1 317.349 1.813 20 5 DDBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000117340444 407831841 /nfs/dbraw/zinc/83/18/41/407831841.db2.gz UCNYGTYKZYFNSY-LBPRGKRZSA-N 1 1 321.333 1.614 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337969 407839804 /nfs/dbraw/zinc/83/98/04/407839804.db2.gz KQNNCLBQOFLXCO-IAQYHMDHSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337969 407839808 /nfs/dbraw/zinc/83/98/08/407839808.db2.gz KQNNCLBQOFLXCO-IAQYHMDHSA-N 1 1 307.350 1.687 20 5 DDBDMO CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccc[nH+]c21 ZINC000272300002 407858462 /nfs/dbraw/zinc/85/84/62/407858462.db2.gz UJIFXPWOHDMASK-OAHLLOKOSA-N 1 1 314.345 1.980 20 5 DDBDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268220545 407956431 /nfs/dbraw/zinc/95/64/31/407956431.db2.gz JSCLGOCZHYZPJX-GFCCVEGCSA-N 1 1 313.741 1.195 20 5 DDBDMO C[N@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268220545 407956438 /nfs/dbraw/zinc/95/64/38/407956438.db2.gz JSCLGOCZHYZPJX-GFCCVEGCSA-N 1 1 313.741 1.195 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233461 407960679 /nfs/dbraw/zinc/96/06/79/407960679.db2.gz SPFXCJDDDMBGAL-FZMZJTMJSA-N 1 1 318.377 1.606 20 5 DDBDMO CC[C@H](CSC)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245592727 408021279 /nfs/dbraw/zinc/02/12/79/408021279.db2.gz LXXCGKVFGDGFLH-ZYHUDNBSSA-N 1 1 302.400 1.226 20 5 DDBDMO CN(CCC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000181989470 408062166 /nfs/dbraw/zinc/06/21/66/408062166.db2.gz SXHAALQCZYKEOL-UHFFFAOYSA-N 1 1 305.338 1.495 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000136148476 408081966 /nfs/dbraw/zinc/08/19/66/408081966.db2.gz HBOHXYOBQXQRMW-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC2(C1)OCCO2 ZINC000136148476 408081973 /nfs/dbraw/zinc/08/19/73/408081973.db2.gz HBOHXYOBQXQRMW-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000189763240 408100684 /nfs/dbraw/zinc/10/06/84/408100684.db2.gz IRAYVXOATOCLPH-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO CCN1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190221132 408191502 /nfs/dbraw/zinc/19/15/02/408191502.db2.gz JMMKRXUVEFYILI-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO CCN1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190221132 408191509 /nfs/dbraw/zinc/19/15/09/408191509.db2.gz JMMKRXUVEFYILI-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269273246 408245360 /nfs/dbraw/zinc/24/53/60/408245360.db2.gz HHXBOTUAVMFXAD-NSHDSACASA-N 1 1 307.350 1.714 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269273246 408245365 /nfs/dbraw/zinc/24/53/65/408245365.db2.gz HHXBOTUAVMFXAD-NSHDSACASA-N 1 1 307.350 1.714 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284687 408252622 /nfs/dbraw/zinc/25/26/22/408252622.db2.gz MXPBYTSBNKWDRY-ZIAGYGMSSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284687 408252627 /nfs/dbraw/zinc/25/26/27/408252627.db2.gz MXPBYTSBNKWDRY-ZIAGYGMSSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284687 408252632 /nfs/dbraw/zinc/25/26/32/408252632.db2.gz MXPBYTSBNKWDRY-ZIAGYGMSSA-N 1 1 305.334 1.657 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156523109 408264163 /nfs/dbraw/zinc/26/41/63/408264163.db2.gz CXHYPRISOWDQAD-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269333256 408274102 /nfs/dbraw/zinc/27/41/02/408274102.db2.gz AUCGKSRMPUCEEX-QWRGUYRKSA-N 1 1 323.397 1.900 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000246627074 408307402 /nfs/dbraw/zinc/30/74/02/408307402.db2.gz AQCXSAHEEAAVIC-KOLCDFICSA-N 1 1 322.287 1.427 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246838140 408350475 /nfs/dbraw/zinc/35/04/75/408350475.db2.gz SUENZZMPOSULBG-DZGCQCFKSA-N 1 1 319.361 1.695 20 5 DDBDMO C[NH+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000170867473 162196793 /nfs/dbraw/zinc/19/67/93/162196793.db2.gz ICOINSSJNGBAEL-JTQLQIEISA-N 1 1 303.322 1.247 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173118753 162322404 /nfs/dbraw/zinc/32/24/04/162322404.db2.gz VZKKAUQMUWBCIL-HNNXBMFYSA-N 1 1 305.378 1.936 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247040189 408394594 /nfs/dbraw/zinc/39/45/94/408394594.db2.gz XWXODMWXNBECOU-QWHCGFSZSA-N 1 1 321.377 1.512 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000247040189 408394603 /nfs/dbraw/zinc/39/46/03/408394603.db2.gz XWXODMWXNBECOU-QWHCGFSZSA-N 1 1 321.377 1.512 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080535 408403052 /nfs/dbraw/zinc/40/30/52/408403052.db2.gz HAKDHCBKAAFMLC-QWHCGFSZSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C(C)C ZINC000177032494 408500049 /nfs/dbraw/zinc/50/00/49/408500049.db2.gz QBGIOHCKMIWCRC-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475399 408507370 /nfs/dbraw/zinc/50/73/70/408507370.db2.gz YPJSBOZDQBIYQZ-SWLSCSKDSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475399 408507375 /nfs/dbraw/zinc/50/73/75/408507375.db2.gz YPJSBOZDQBIYQZ-SWLSCSKDSA-N 1 1 321.377 1.793 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094036 408516602 /nfs/dbraw/zinc/51/66/02/408516602.db2.gz IWCMWSZXSGEZSB-CMPLNLGQSA-N 1 1 319.361 1.958 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183975307 408523506 /nfs/dbraw/zinc/52/35/06/408523506.db2.gz NJYIIIASKZCLQH-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000184794980 408691371 /nfs/dbraw/zinc/69/13/71/408691371.db2.gz TYMZSDMZHOTTDY-CYBMUJFWSA-N 1 1 320.393 1.786 20 5 DDBDMO COc1cccc(NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185454493 408810405 /nfs/dbraw/zinc/81/04/05/408810405.db2.gz IBZWEMUNVLFPNY-GFCCVEGCSA-N 1 1 309.366 1.984 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](C)(O)C1 ZINC000178003534 408754113 /nfs/dbraw/zinc/75/41/13/408754113.db2.gz KRZAXVZVOADKEB-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270960227 408760191 /nfs/dbraw/zinc/76/01/91/408760191.db2.gz XNDGUKIVPDXASH-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285704953 408847077 /nfs/dbraw/zinc/84/70/77/408847077.db2.gz IYVGSUYMFUFCBY-UONOGXRCSA-N 1 1 305.334 1.140 20 5 DDBDMO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000277303993 408915332 /nfs/dbraw/zinc/91/53/32/408915332.db2.gz PHEYTMSKIHWGFX-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292058280 408971913 /nfs/dbraw/zinc/97/19/13/408971913.db2.gz APDXXZVHVVEUPZ-HNNXBMFYSA-N 1 1 307.325 1.902 20 5 DDBDMO Cn1cc([C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277866336 409026147 /nfs/dbraw/zinc/02/61/47/409026147.db2.gz UMFAGOONFMWDNJ-STQMWFEESA-N 1 1 322.390 1.598 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277866336 409026151 /nfs/dbraw/zinc/02/61/51/409026151.db2.gz UMFAGOONFMWDNJ-STQMWFEESA-N 1 1 322.390 1.598 20 5 DDBDMO Cc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701780 409040200 /nfs/dbraw/zinc/04/02/00/409040200.db2.gz SBOMCNDSZACXGE-GJZGRUSLSA-N 1 1 309.341 1.952 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](O)CC3)o2)cc1 ZINC000293297470 409084761 /nfs/dbraw/zinc/08/47/61/409084761.db2.gz WJBACZZEXZKRIP-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](O)CC3)o2)cc1 ZINC000293297470 409084762 /nfs/dbraw/zinc/08/47/62/409084762.db2.gz WJBACZZEXZKRIP-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283166131 409102142 /nfs/dbraw/zinc/10/21/42/409102142.db2.gz PEGKEUIDFWGQTA-JTQLQIEISA-N 1 1 324.356 1.919 20 5 DDBDMO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000294059358 409233402 /nfs/dbraw/zinc/23/34/02/409233402.db2.gz UVRWKSQDRHSDCJ-TXEJJXNPSA-N 1 1 307.350 1.525 20 5 DDBDMO CN(CC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000295217821 409380808 /nfs/dbraw/zinc/38/08/08/409380808.db2.gz MHGIILTZDFZNPS-OAHLLOKOSA-N 1 1 324.356 1.191 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295389149 409460617 /nfs/dbraw/zinc/46/06/17/409460617.db2.gz KZODMTYQMSYXRX-XHSDSOJGSA-N 1 1 321.377 1.033 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000361425497 164153824 /nfs/dbraw/zinc/15/38/24/164153824.db2.gz GZIRJMMRLSRWJD-CYBMUJFWSA-N 1 1 307.350 1.403 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000361425497 164153826 /nfs/dbraw/zinc/15/38/26/164153826.db2.gz GZIRJMMRLSRWJD-CYBMUJFWSA-N 1 1 307.350 1.403 20 5 DDBDMO Cn1cc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000331550288 409627303 /nfs/dbraw/zinc/62/73/03/409627303.db2.gz GTCNBFVPAKGSDX-AWEZNQCLSA-N 1 1 304.354 1.752 20 5 DDBDMO Cn1cc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000331550288 409627307 /nfs/dbraw/zinc/62/73/07/409627307.db2.gz GTCNBFVPAKGSDX-AWEZNQCLSA-N 1 1 304.354 1.752 20 5 DDBDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290270 409599248 /nfs/dbraw/zinc/59/92/48/409599248.db2.gz CFDLHPLGNGUOLU-AYRXBEOTSA-N 1 1 308.382 1.805 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000304339054 409609865 /nfs/dbraw/zinc/60/98/65/409609865.db2.gz PGALAKOWPHARFT-HZPDHXFCSA-N 1 1 316.361 1.989 20 5 DDBDMO COC[C@H]1CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354057802 409615396 /nfs/dbraw/zinc/61/53/96/409615396.db2.gz ZZPHDSUWZJNXFC-GFCCVEGCSA-N 1 1 324.333 1.367 20 5 DDBDMO COC[C@H]1CC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354057802 409615400 /nfs/dbraw/zinc/61/54/00/409615400.db2.gz ZZPHDSUWZJNXFC-GFCCVEGCSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000296835453 409659376 /nfs/dbraw/zinc/65/93/76/409659376.db2.gz DEFCPPMPBDAAFR-YOGCLGLASA-N 1 1 318.377 1.840 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858130 409669089 /nfs/dbraw/zinc/66/90/89/409669089.db2.gz UALMXNIVYYVRTN-ZIAGYGMSSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858130 409669092 /nfs/dbraw/zinc/66/90/92/409669092.db2.gz UALMXNIVYYVRTN-ZIAGYGMSSA-N 1 1 323.349 1.401 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCCc3[nH+]ccn32)n1 ZINC000354169977 409713813 /nfs/dbraw/zinc/71/38/13/409713813.db2.gz PTDWDAKBPDQRQO-MRVPVSSYSA-N 1 1 315.293 1.501 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000357050518 409821261 /nfs/dbraw/zinc/82/12/61/409821261.db2.gz IEFWAQRTZYFGEO-LBPRGKRZSA-N 1 1 321.381 1.132 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357005052 409785644 /nfs/dbraw/zinc/78/56/44/409785644.db2.gz QQQNWFUNWPLTET-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005052 409785655 /nfs/dbraw/zinc/78/56/55/409785655.db2.gz QQQNWFUNWPLTET-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005052 409785665 /nfs/dbraw/zinc/78/56/65/409785665.db2.gz QQQNWFUNWPLTET-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052080 409819070 /nfs/dbraw/zinc/81/90/70/409819070.db2.gz QXMANWCXANSZMM-QWRGUYRKSA-N 1 1 307.354 1.027 20 5 DDBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC(=O)N(C)C1=O ZINC000338327236 409913460 /nfs/dbraw/zinc/91/34/60/409913460.db2.gz XQMUUSOIGDWSSC-AWEZNQCLSA-N 1 1 319.361 1.873 20 5 DDBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC(=O)N(C)C1=O ZINC000338327236 409913461 /nfs/dbraw/zinc/91/34/61/409913461.db2.gz XQMUUSOIGDWSSC-AWEZNQCLSA-N 1 1 319.361 1.873 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)[NH+](C)[C@@H](C)C2)n1 ZINC000319479772 409897553 /nfs/dbraw/zinc/89/75/53/409897553.db2.gz XAWNGFFAPXEYSW-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000332309876 410057023 /nfs/dbraw/zinc/05/70/23/410057023.db2.gz XCILZTUMELFCTK-STQMWFEESA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1COC[C@@H]1O ZINC000339192480 410069738 /nfs/dbraw/zinc/06/97/38/410069738.db2.gz GDTHDUPFQOHNEI-RYUDHWBXSA-N 1 1 320.267 1.805 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1COC[C@@H]1O ZINC000339192480 410069744 /nfs/dbraw/zinc/06/97/44/410069744.db2.gz GDTHDUPFQOHNEI-RYUDHWBXSA-N 1 1 320.267 1.805 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000346691743 410086894 /nfs/dbraw/zinc/08/68/94/410086894.db2.gz WAZSXXSPSZRMFJ-JOYOIKCWSA-N 1 1 321.333 1.077 20 5 DDBDMO CCNC(=O)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000339326888 410098106 /nfs/dbraw/zinc/09/81/06/410098106.db2.gz TWBUFGXTHBWFNS-CQSZACIVSA-N 1 1 309.366 1.854 20 5 DDBDMO COc1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000354811979 410105362 /nfs/dbraw/zinc/10/53/62/410105362.db2.gz WVKSWVIVJNJVSM-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298105659 410118402 /nfs/dbraw/zinc/11/84/02/410118402.db2.gz NRCMVBYGIWJKPK-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO C[C@H]1CN(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000332604589 410190806 /nfs/dbraw/zinc/19/08/06/410190806.db2.gz OEOALANOGJLCBK-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H]1CN(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000332604589 410190813 /nfs/dbraw/zinc/19/08/13/410190813.db2.gz OEOALANOGJLCBK-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357907368 410322388 /nfs/dbraw/zinc/32/23/88/410322388.db2.gz FEJWCSRNMBXCBN-KGLIPLIRSA-N 1 1 323.397 1.513 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000298729041 410370672 /nfs/dbraw/zinc/37/06/72/410370672.db2.gz RLYVKAHHTWKOHJ-VIFPVBQESA-N 1 1 307.310 1.264 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000355323510 410441237 /nfs/dbraw/zinc/44/12/37/410441237.db2.gz SVIVOFDDLLXNJR-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343572768 410542571 /nfs/dbraw/zinc/54/25/71/410542571.db2.gz PIVGJHPBUVPUPD-CQSZACIVSA-N 1 1 321.377 1.964 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299180775 410559108 /nfs/dbraw/zinc/55/91/08/410559108.db2.gz ZCWFMQMIBSGZRQ-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCOCC3)CC2)nc1 ZINC000301353995 410705434 /nfs/dbraw/zinc/70/54/34/410705434.db2.gz KAKXNXGSRVMISM-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340224263 410772358 /nfs/dbraw/zinc/77/23/58/410772358.db2.gz ZCBLSISZOAKEQP-ZDUSSCGKSA-N 1 1 320.349 1.052 20 5 DDBDMO C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000343921699 410811511 /nfs/dbraw/zinc/81/15/11/410811511.db2.gz VFKPXCAFZKVMBN-WFASDCNBSA-N 1 1 321.377 1.411 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750019 410857650 /nfs/dbraw/zinc/85/76/50/410857650.db2.gz GWKLHYSZFDCPBI-ONGXEEELSA-N 1 1 320.349 1.814 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000302778192 410863812 /nfs/dbraw/zinc/86/38/12/410863812.db2.gz PWKIKCVIFNWDOR-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288526 410899085 /nfs/dbraw/zinc/89/90/85/410899085.db2.gz WMCXNNYDUBSTDS-MIMYLULJSA-N 1 1 322.287 1.425 20 5 DDBDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288525 410900640 /nfs/dbraw/zinc/90/06/40/410900640.db2.gz WMCXNNYDUBSTDS-IEBDPFPHSA-N 1 1 322.287 1.425 20 5 DDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353360736 410941631 /nfs/dbraw/zinc/94/16/31/410941631.db2.gz LIMSSPBDMGUYGM-GQCTYLIASA-N 1 1 319.405 1.997 20 5 DDBDMO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353360736 410941641 /nfs/dbraw/zinc/94/16/41/410941641.db2.gz LIMSSPBDMGUYGM-GQCTYLIASA-N 1 1 319.405 1.997 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356293976 410950918 /nfs/dbraw/zinc/95/09/18/410950918.db2.gz ITYNTFMXJRTQDJ-INIZCTEOSA-N 1 1 318.377 1.856 20 5 DDBDMO Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360054358 411023191 /nfs/dbraw/zinc/02/31/91/411023191.db2.gz SVEKSMPTHXNQPY-GFCCVEGCSA-N 1 1 311.357 1.935 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356444448 411034032 /nfs/dbraw/zinc/03/40/32/411034032.db2.gz IAEYKMDTXCHADH-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339326659 306735818 /nfs/dbraw/zinc/73/58/18/306735818.db2.gz LSQNYWKGZOECNO-KCQAQPDRSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000129192762 196027763 /nfs/dbraw/zinc/02/77/63/196027763.db2.gz RGMMVGKBMSTYMA-CQSZACIVSA-N 1 1 320.393 1.916 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000130717207 196103452 /nfs/dbraw/zinc/10/34/52/196103452.db2.gz ZCPSGFIBSFPSED-UHFFFAOYSA-N 1 1 320.353 1.235 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000358036053 299053349 /nfs/dbraw/zinc/05/33/49/299053349.db2.gz BVUMCGOVBOIGAE-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000177296221 221845588 /nfs/dbraw/zinc/84/55/88/221845588.db2.gz PECGWISWHNSWFF-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000177296221 221845591 /nfs/dbraw/zinc/84/55/91/221845591.db2.gz PECGWISWHNSWFF-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360947548 418551970 /nfs/dbraw/zinc/55/19/70/418551970.db2.gz XMXCEBHQVHAFGA-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360947548 418551973 /nfs/dbraw/zinc/55/19/73/418551973.db2.gz XMXCEBHQVHAFGA-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000361006286 418564773 /nfs/dbraw/zinc/56/47/73/418564773.db2.gz CHBKAXGVKDLERS-QWRGUYRKSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000191840293 222110412 /nfs/dbraw/zinc/11/04/12/222110412.db2.gz YTMOVQFBUWUNFR-UWVGGRQHSA-N 1 1 307.354 1.166 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191830084 222110498 /nfs/dbraw/zinc/11/04/98/222110498.db2.gz CCIZMBWZRZSUGB-GFCCVEGCSA-N 1 1 323.397 1.615 20 5 DDBDMO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000190240515 222071533 /nfs/dbraw/zinc/07/15/33/222071533.db2.gz FYAIIRXUAMBPQI-YVARQFDVSA-N 1 1 305.378 1.606 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[N@H+](C)C[C@H]3C)n2)n1C ZINC000361248769 418612267 /nfs/dbraw/zinc/61/22/67/418612267.db2.gz CXVDLPKPCNYPOU-APPZFPTMSA-N 1 1 306.326 1.352 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375333421 418630945 /nfs/dbraw/zinc/63/09/45/418630945.db2.gz POOAGZFPSBIEFW-GFCCVEGCSA-N 1 1 303.322 1.512 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392286 418633185 /nfs/dbraw/zinc/63/31/85/418633185.db2.gz NNEFQRNJVKMRKE-VXGBXAGGSA-N 1 1 323.397 1.731 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392286 418633187 /nfs/dbraw/zinc/63/31/87/418633187.db2.gz NNEFQRNJVKMRKE-VXGBXAGGSA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403849 418634479 /nfs/dbraw/zinc/63/44/79/418634479.db2.gz MOIIZZYJZIWZNZ-OCCSQVGLSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)N1CC[C@H]([N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403849 418634482 /nfs/dbraw/zinc/63/44/82/418634482.db2.gz MOIIZZYJZIWZNZ-OCCSQVGLSA-N 1 1 321.381 1.438 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000375508593 418651697 /nfs/dbraw/zinc/65/16/97/418651697.db2.gz UDIQCSNIVLIHIX-SNVBAGLBSA-N 1 1 314.773 1.536 20 5 DDBDMO CC(=O)c1ccc(N2CCC[N@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364954054 418827719 /nfs/dbraw/zinc/82/77/19/418827719.db2.gz JEKBGCMVJPMVNY-LBPRGKRZSA-N 1 1 321.377 1.690 20 5 DDBDMO CCc1nc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365724274 418900307 /nfs/dbraw/zinc/90/03/07/418900307.db2.gz QHMLVSZKVHTJJR-NSHDSACASA-N 1 1 320.353 1.616 20 5 DDBDMO CCc1nc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365724274 418900309 /nfs/dbraw/zinc/90/03/09/418900309.db2.gz QHMLVSZKVHTJJR-NSHDSACASA-N 1 1 320.353 1.616 20 5 DDBDMO CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365848163 418916234 /nfs/dbraw/zinc/91/62/34/418916234.db2.gz NEPIMNLHQQSWBZ-GFCCVEGCSA-N 1 1 323.397 1.589 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000426230005 419411597 /nfs/dbraw/zinc/41/15/97/419411597.db2.gz JTHPGXCFCIDNLL-CHWSQXEVSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430947497 420219174 /nfs/dbraw/zinc/21/91/74/420219174.db2.gz BHDWQTNXGYSWRK-VXGBXAGGSA-N 1 1 320.393 1.981 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420774892 420387138 /nfs/dbraw/zinc/38/71/38/420387138.db2.gz YXBDPTDKVDIOEC-VIFPVBQESA-N 1 1 319.408 1.371 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420774892 420387141 /nfs/dbraw/zinc/38/71/41/420387141.db2.gz YXBDPTDKVDIOEC-VIFPVBQESA-N 1 1 319.408 1.371 20 5 DDBDMO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000450790781 420532705 /nfs/dbraw/zinc/53/27/05/420532705.db2.gz HKHFICXGMZFXTI-PHIMTYICSA-N 1 1 319.365 1.362 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000453041965 420705444 /nfs/dbraw/zinc/70/54/44/420705444.db2.gz SBRBRONHRZNGNX-ILXRZTDVSA-N 1 1 310.398 1.765 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000454193276 420812591 /nfs/dbraw/zinc/81/25/91/420812591.db2.gz CWAVEDHXUFVNSU-NSHDSACASA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000454193276 420812596 /nfs/dbraw/zinc/81/25/96/420812596.db2.gz CWAVEDHXUFVNSU-NSHDSACASA-N 1 1 322.365 1.434 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000447994167 420831335 /nfs/dbraw/zinc/83/13/35/420831335.db2.gz TTWINYWTFATHKT-ZDUSSCGKSA-N 1 1 321.381 1.654 20 5 DDBDMO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000449134362 420955744 /nfs/dbraw/zinc/95/57/44/420955744.db2.gz IRBNDVKSUJVSBH-LSDHHAIUSA-N 1 1 320.437 1.751 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000449360232 420997094 /nfs/dbraw/zinc/99/70/94/420997094.db2.gz HQONDZWPZJSPGM-AWEZNQCLSA-N 1 1 320.345 1.606 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@@H+]1CCO ZINC000449533346 421024403 /nfs/dbraw/zinc/02/44/03/421024403.db2.gz KDANLARTCKARJR-TXEJJXNPSA-N 1 1 311.357 1.621 20 5 DDBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000496156009 421140115 /nfs/dbraw/zinc/14/01/15/421140115.db2.gz DKJBFBHYSNLWTA-SNVBAGLBSA-N 1 1 311.363 1.930 20 5 DDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000496156009 421140118 /nfs/dbraw/zinc/14/01/18/421140118.db2.gz DKJBFBHYSNLWTA-SNVBAGLBSA-N 1 1 311.363 1.930 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450291287 421177977 /nfs/dbraw/zinc/17/79/77/421177977.db2.gz SQTJPOGJCSHKHB-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450291287 421177978 /nfs/dbraw/zinc/17/79/78/421177978.db2.gz SQTJPOGJCSHKHB-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000522811420 421225486 /nfs/dbraw/zinc/22/54/86/421225486.db2.gz PHXVLNXYJGYXJP-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000524775240 421271579 /nfs/dbraw/zinc/27/15/79/421271579.db2.gz AVQPTVZHVZSXRG-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000574643732 422150458 /nfs/dbraw/zinc/15/04/58/422150458.db2.gz HWIWDHLLIUFLHH-DOMZBBRYSA-N 1 1 319.361 1.445 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+](C2CCC2)C1 ZINC000344696847 272093220 /nfs/dbraw/zinc/09/32/20/272093220.db2.gz HRXQGDQDDHDJHR-NSHDSACASA-N 1 1 321.381 1.275 20 5 DDBDMO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000347313625 272659664 /nfs/dbraw/zinc/65/96/64/272659664.db2.gz IIUHGGSENQCYKO-KIWPFMIBSA-N 1 1 321.377 1.820 20 5 DDBDMO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000347313625 272659667 /nfs/dbraw/zinc/65/96/67/272659667.db2.gz IIUHGGSENQCYKO-KIWPFMIBSA-N 1 1 321.377 1.820 20 5 DDBDMO CO[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067399370 274062957 /nfs/dbraw/zinc/06/29/57/274062957.db2.gz QTDCVUWOSYGQTH-HUUCEWRRSA-N 1 1 319.361 1.811 20 5 DDBDMO CO[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067399370 274062958 /nfs/dbraw/zinc/06/29/58/274062958.db2.gz QTDCVUWOSYGQTH-HUUCEWRRSA-N 1 1 319.361 1.811 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000275432673 274118434 /nfs/dbraw/zinc/11/84/34/274118434.db2.gz FABGEWJWSNHHFD-LBPRGKRZSA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000278292700 274266933 /nfs/dbraw/zinc/26/69/33/274266933.db2.gz CTORGVGFVFUHLJ-VHSXEESVSA-N 1 1 313.310 1.067 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC000278292700 274266936 /nfs/dbraw/zinc/26/69/36/274266936.db2.gz CTORGVGFVFUHLJ-VHSXEESVSA-N 1 1 313.310 1.067 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000153718271 274272347 /nfs/dbraw/zinc/27/23/47/274272347.db2.gz BOFAGCIDDGIGHX-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000153718271 274272351 /nfs/dbraw/zinc/27/23/51/274272351.db2.gz BOFAGCIDDGIGHX-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362967 274333172 /nfs/dbraw/zinc/33/31/72/274333172.db2.gz XAHNMFDKBGPYOB-GFCCVEGCSA-N 1 1 318.377 1.120 20 5 DDBDMO O=C1NCCCC[C@H]1[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119973391 275022566 /nfs/dbraw/zinc/02/25/66/275022566.db2.gz KIGOKQIOSAHHMD-DGCLKSJQSA-N 1 1 319.365 1.145 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c2cccnc21 ZINC000413230109 275036555 /nfs/dbraw/zinc/03/65/55/275036555.db2.gz KSWGCFUZYOWYLO-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c2cccnc21 ZINC000413230109 275036557 /nfs/dbraw/zinc/03/65/57/275036557.db2.gz KSWGCFUZYOWYLO-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](CCO)CC1 ZINC000291595904 275041907 /nfs/dbraw/zinc/04/19/07/275041907.db2.gz IAVAZBJQJHDOHO-UHFFFAOYSA-N 1 1 302.334 1.257 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000337313358 277045449 /nfs/dbraw/zinc/04/54/49/277045449.db2.gz ADTGSDZSFSXCSZ-CQSZACIVSA-N 1 1 319.409 1.596 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]2C1 ZINC000287617710 277199687 /nfs/dbraw/zinc/19/96/87/277199687.db2.gz GLVVIRZNQINCPS-AOOOYVTPSA-N 1 1 315.333 1.241 20 5 DDBDMO O=C(CC[NH+]1CCN(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000126076783 281225625 /nfs/dbraw/zinc/22/56/25/281225625.db2.gz MTTQVBFXVFYYIK-UHFFFAOYSA-N 1 1 318.377 1.703 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000128404602 281310339 /nfs/dbraw/zinc/31/03/39/281310339.db2.gz VRVFGXSYFFRFQA-LBPRGKRZSA-N 1 1 323.397 1.569 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444041 300064588 /nfs/dbraw/zinc/06/45/88/300064588.db2.gz BRXQEAZRXZLQIJ-SMDDNHRTSA-N 1 1 306.366 1.321 20 5 DDBDMO O=C([C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000363106476 300211806 /nfs/dbraw/zinc/21/18/06/300211806.db2.gz NJWMRNWIMRIZLJ-CYBMUJFWSA-N 1 1 321.381 1.268 20 5 DDBDMO O=C([C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000363106476 300211808 /nfs/dbraw/zinc/21/18/08/300211808.db2.gz NJWMRNWIMRIZLJ-CYBMUJFWSA-N 1 1 321.381 1.268 20 5 DDBDMO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973693 301114756 /nfs/dbraw/zinc/11/47/56/301114756.db2.gz KZIZBVIZJKFZQW-YDHLFZDLSA-N 1 1 303.362 1.989 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973693 301114758 /nfs/dbraw/zinc/11/47/58/301114758.db2.gz KZIZBVIZJKFZQW-YDHLFZDLSA-N 1 1 303.362 1.989 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C1 ZINC000376176626 302045943 /nfs/dbraw/zinc/04/59/43/302045943.db2.gz YCGNTZGDKWVNME-AWEZNQCLSA-N 1 1 319.409 1.393 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000532311600 303282195 /nfs/dbraw/zinc/28/21/95/303282195.db2.gz AYXOSJNZTDWXIW-GFCCVEGCSA-N 1 1 308.382 1.641 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397553 303285072 /nfs/dbraw/zinc/28/50/72/303285072.db2.gz ZNQSPVRDGCOHNW-LBPRGKRZSA-N 1 1 306.366 1.698 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000538918459 303392284 /nfs/dbraw/zinc/39/22/84/303392284.db2.gz CKZAEYUCECPRGQ-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000538918459 303392286 /nfs/dbraw/zinc/39/22/86/303392286.db2.gz CKZAEYUCECPRGQ-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735021 303550052 /nfs/dbraw/zinc/55/00/52/303550052.db2.gz GDAYAMZCBNCQHB-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000362075628 307012961 /nfs/dbraw/zinc/01/29/61/307012961.db2.gz ISMIGBUSOBAZOO-DGCLKSJQSA-N 1 1 319.361 1.044 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1CO ZINC000362089713 307013900 /nfs/dbraw/zinc/01/39/00/307013900.db2.gz VLDCSMQGTXSQKD-JQWIXIFHSA-N 1 1 318.333 1.705 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363398878 307027408 /nfs/dbraw/zinc/02/74/08/307027408.db2.gz QBJWAAMWMCFAND-RRFJBIMHSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363398878 307027409 /nfs/dbraw/zinc/02/74/09/307027409.db2.gz QBJWAAMWMCFAND-RRFJBIMHSA-N 1 1 318.377 1.075 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363398878 307027410 /nfs/dbraw/zinc/02/74/10/307027410.db2.gz QBJWAAMWMCFAND-RRFJBIMHSA-N 1 1 318.377 1.075 20 5 DDBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373798624 307195521 /nfs/dbraw/zinc/19/55/21/307195521.db2.gz SNAQHXUZKQFKST-SJXGUFTOSA-N 1 1 315.373 1.795 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373973972 307198734 /nfs/dbraw/zinc/19/87/34/307198734.db2.gz CLLMSHQCONJHFL-VZJVUDMVSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373973972 307198735 /nfs/dbraw/zinc/19/87/35/307198735.db2.gz CLLMSHQCONJHFL-VZJVUDMVSA-N 1 1 319.361 1.689 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000570780248 308179419 /nfs/dbraw/zinc/17/94/19/308179419.db2.gz NAJRSLZYSBVGRY-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384153 308276072 /nfs/dbraw/zinc/27/60/72/308276072.db2.gz GMFYCFXZOOUOFS-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384153 308276074 /nfs/dbraw/zinc/27/60/74/308276074.db2.gz GMFYCFXZOOUOFS-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575384153 308276076 /nfs/dbraw/zinc/27/60/76/308276076.db2.gz GMFYCFXZOOUOFS-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO O=[N+]([O-])c1c(NCC[NH+]2CCSCC2)nc2sccn21 ZINC000226231078 490701438 /nfs/dbraw/zinc/70/14/38/490701438.db2.gz XUKCSMPXULIMQC-UHFFFAOYSA-N 1 1 313.408 1.765 20 5 DDBDMO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000305770325 534055975 /nfs/dbraw/zinc/05/59/75/534055975.db2.gz XINRGLZAGHATTP-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000305770325 534055980 /nfs/dbraw/zinc/05/59/80/534055980.db2.gz XINRGLZAGHATTP-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO CC[N@@H+](CC(C)(C)O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305721687 527954705 /nfs/dbraw/zinc/95/47/05/527954705.db2.gz ILSWDPWLMXLFFI-CQSZACIVSA-N 1 1 321.377 1.793 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(-c2nc(C[NH2+]C)no2)cc1OC ZINC000414495008 528335582 /nfs/dbraw/zinc/33/55/82/528335582.db2.gz AWEQIZFOIFRBCT-UHFFFAOYSA-N 1 1 308.294 1.772 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(OC)CC1 ZINC000447087548 528611713 /nfs/dbraw/zinc/61/17/13/528611713.db2.gz OZTGDURKJLYKII-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328796 598500405 /nfs/dbraw/zinc/50/04/05/598500405.db2.gz YQWQMIRDBOXPPV-SECBINFHSA-N 1 1 320.357 1.312 20 5 DDBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821241150 606731308 /nfs/dbraw/zinc/73/13/08/606731308.db2.gz KGNQDKJJBORQJO-JOYOIKCWSA-N 1 1 317.353 1.527 20 5 DDBDMO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000826499641 607978143 /nfs/dbraw/zinc/97/81/43/607978143.db2.gz QQSTXVKSQRXHFT-UHFFFAOYSA-N 1 1 314.305 1.700 20 5 DDBDMO Cc1nn(C[NH+]2CCC(C(N)=O)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121053695 696705748 /nfs/dbraw/zinc/70/57/48/696705748.db2.gz LLLOVTFLFSAVLA-UHFFFAOYSA-N 1 1 317.349 1.408 20 5 DDBDMO COCC[NH+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000798075140 700040208 /nfs/dbraw/zinc/04/02/08/700040208.db2.gz LAARDYDHSKNRMJ-UHFFFAOYSA-N 1 1 324.406 1.556 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3OCCO3)C2)nc1 ZINC000124994680 696748190 /nfs/dbraw/zinc/74/81/90/696748190.db2.gz YPVMMOLXMSUAON-LLVKDONJSA-N 1 1 308.338 1.239 20 5 DDBDMO Cc1nn(CN2CCC[C@H]2C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000173372446 697377758 /nfs/dbraw/zinc/37/77/58/697377758.db2.gz VNPBCKKISNYAHE-AWEZNQCLSA-N 1 1 323.397 1.162 20 5 DDBDMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271807 698090097 /nfs/dbraw/zinc/09/00/97/698090097.db2.gz HKHOOXMNMGWFGO-ZFWWWQNUSA-N 1 1 322.361 1.903 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000776582595 698121681 /nfs/dbraw/zinc/12/16/81/698121681.db2.gz VSHLTWYEIJEWJW-LSDHHAIUSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC000776582595 698121682 /nfs/dbraw/zinc/12/16/82/698121682.db2.gz VSHLTWYEIJEWJW-LSDHHAIUSA-N 1 1 322.361 1.856 20 5 DDBDMO NC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000789556525 699395575 /nfs/dbraw/zinc/39/55/75/699395575.db2.gz BAYVYANVDJDQCC-UHFFFAOYSA-N 1 1 313.741 1.372 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000791055289 699609211 /nfs/dbraw/zinc/60/92/11/699609211.db2.gz RHVLJIFRZAPHGS-LBPRGKRZSA-N 1 1 324.356 1.936 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000742237815 699868658 /nfs/dbraw/zinc/86/86/58/699868658.db2.gz PWVYBDFHSCSTBJ-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C1NC2(CO1)CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000801539613 700318369 /nfs/dbraw/zinc/31/83/69/700318369.db2.gz KERRAZSKHSYHJC-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000753030688 700402978 /nfs/dbraw/zinc/40/29/78/700402978.db2.gz VEYBTMWOQQVHLM-VIFPVBQESA-N 1 1 312.345 1.775 20 5 DDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000753452820 700435230 /nfs/dbraw/zinc/43/52/30/700435230.db2.gz OJXAWRVWGOMSDM-GFCCVEGCSA-N 1 1 324.356 1.018 20 5 DDBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000753452820 700435231 /nfs/dbraw/zinc/43/52/31/700435231.db2.gz OJXAWRVWGOMSDM-GFCCVEGCSA-N 1 1 324.356 1.018 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+]1CCCOCC1 ZINC000808043962 701495232 /nfs/dbraw/zinc/49/52/32/701495232.db2.gz SFHASMMSYREYEV-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+]1CCCOCC1 ZINC000808043962 701495234 /nfs/dbraw/zinc/49/52/34/701495234.db2.gz SFHASMMSYREYEV-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000810615857 701802061 /nfs/dbraw/zinc/80/20/61/701802061.db2.gz OKTSQNXBHBCVBA-VIFPVBQESA-N 1 1 307.310 1.562 20 5 DDBDMO CCOCCN(CC)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867955045 701851655 /nfs/dbraw/zinc/85/16/55/701851655.db2.gz VYBVAWXFPWFROS-OAHLLOKOSA-N 1 1 309.366 1.654 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205425 706647771 /nfs/dbraw/zinc/64/77/71/706647771.db2.gz LULDMJKBSFQFIX-OLZOCXBDSA-N 1 1 318.377 1.485 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207488 706648993 /nfs/dbraw/zinc/64/89/93/706648993.db2.gz PMBFWAWYQMDZMM-ZJUUUORDSA-N 1 1 307.379 1.834 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207486 706649200 /nfs/dbraw/zinc/64/92/00/706649200.db2.gz PMBFWAWYQMDZMM-UWVGGRQHSA-N 1 1 307.379 1.834 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000866210229 706649808 /nfs/dbraw/zinc/64/98/08/706649808.db2.gz ZTVKBWRTQQZKTQ-HZMBPMFUSA-N 1 1 306.366 1.200 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949336 702233146 /nfs/dbraw/zinc/23/31/46/702233146.db2.gz TUIPTCMYZSUVIR-MFKMUULPSA-N 1 1 304.350 1.262 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817370098 702356589 /nfs/dbraw/zinc/35/65/89/702356589.db2.gz GTDSQGRWKGPMSZ-NSHDSACASA-N 1 1 317.349 1.278 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845741124 703195796 /nfs/dbraw/zinc/19/57/96/703195796.db2.gz RXVFZFAGAJTKQP-NSHDSACASA-N 1 1 310.354 1.597 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000879710469 706767174 /nfs/dbraw/zinc/76/71/74/706767174.db2.gz ZEMDQNBFTMMEKG-MRXNPFEDSA-N 1 1 324.377 1.756 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972940 704039190 /nfs/dbraw/zinc/03/91/90/704039190.db2.gz PHWLLUZTRRYJAF-BLLLJJGKSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972940 704039191 /nfs/dbraw/zinc/03/91/91/704039191.db2.gz PHWLLUZTRRYJAF-BLLLJJGKSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972940 704039192 /nfs/dbraw/zinc/03/91/92/704039192.db2.gz PHWLLUZTRRYJAF-BLLLJJGKSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000819040288 704057237 /nfs/dbraw/zinc/05/72/37/704057237.db2.gz ZAQDOKWNMAOFQM-HOCLYGCPSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000819040288 704057242 /nfs/dbraw/zinc/05/72/42/704057242.db2.gz ZAQDOKWNMAOFQM-HOCLYGCPSA-N 1 1 305.378 1.702 20 5 DDBDMO CC(C)N1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870863485 704148824 /nfs/dbraw/zinc/14/88/24/704148824.db2.gz KGUUVMHNFMOROR-INIZCTEOSA-N 1 1 320.393 1.321 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@@H]2COCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000853556729 704268393 /nfs/dbraw/zinc/26/83/93/704268393.db2.gz CGFUJXMFEWOYBZ-CYBMUJFWSA-N 1 1 320.349 1.558 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2COCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000853556729 704268395 /nfs/dbraw/zinc/26/83/95/704268395.db2.gz CGFUJXMFEWOYBZ-CYBMUJFWSA-N 1 1 320.349 1.558 20 5 DDBDMO C[N@H+](C[C@H]1COCCO1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853558250 704269329 /nfs/dbraw/zinc/26/93/29/704269329.db2.gz FUUNTKGHBSSFLT-ZDUSSCGKSA-N 1 1 306.322 1.249 20 5 DDBDMO C[N@@H+](C[C@H]1COCCO1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853558250 704269331 /nfs/dbraw/zinc/26/93/31/704269331.db2.gz FUUNTKGHBSSFLT-ZDUSSCGKSA-N 1 1 306.322 1.249 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874827079 705185459 /nfs/dbraw/zinc/18/54/59/705185459.db2.gz AXDOFSOVTYSJAD-ZIAGYGMSSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828754 705187381 /nfs/dbraw/zinc/18/73/81/705187381.db2.gz HTYIKJFPUPURPI-STQMWFEESA-N 1 1 322.340 1.625 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828752 705187448 /nfs/dbraw/zinc/18/74/48/705187448.db2.gz HTYIKJFPUPURPI-QWHCGFSZSA-N 1 1 322.340 1.625 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850084 705202980 /nfs/dbraw/zinc/20/29/80/705202980.db2.gz NUJBKPZLAIGDOE-OLZOCXBDSA-N 1 1 304.350 1.486 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827290327 705969590 /nfs/dbraw/zinc/96/95/90/705969590.db2.gz SWEQCZYCCNCYMZ-CMPLNLGQSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nc1 ZINC000877657195 706172225 /nfs/dbraw/zinc/17/22/25/706172225.db2.gz ARPZARQTSYHPGZ-CYBMUJFWSA-N 1 1 317.349 1.685 20 5 DDBDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nc1 ZINC000877657195 706172226 /nfs/dbraw/zinc/17/22/26/706172226.db2.gz ARPZARQTSYHPGZ-CYBMUJFWSA-N 1 1 317.349 1.685 20 5 DDBDMO C[N@@H+](CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000829838046 706404894 /nfs/dbraw/zinc/40/48/94/706404894.db2.gz QXSQNMVHHPVJSL-UHFFFAOYSA-N 1 1 323.284 1.971 20 5 DDBDMO O=C1[C@@H]([N@H+]2CC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296672 706932022 /nfs/dbraw/zinc/93/20/22/706932022.db2.gz FSVYVZSPYRBSOS-RISCZKNCSA-N 1 1 307.325 1.992 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880425999 706970279 /nfs/dbraw/zinc/97/02/79/706970279.db2.gz RFROUJYYEIGOJR-UKRRQHHQSA-N 1 1 310.350 1.839 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832976320 706998891 /nfs/dbraw/zinc/99/88/91/706998891.db2.gz ZHVXLQBETNKYLX-SWLSCSKDSA-N 1 1 323.393 1.865 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880529348 707005689 /nfs/dbraw/zinc/00/56/89/707005689.db2.gz KXXXSLPMKUJTRF-ZFWWWQNUSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851559 707138785 /nfs/dbraw/zinc/13/87/85/707138785.db2.gz ZNSKQJCHWGVXDI-JSGCOSHPSA-N 1 1 322.409 1.674 20 5 DDBDMO C[C@H](NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851559 707138787 /nfs/dbraw/zinc/13/87/87/707138787.db2.gz ZNSKQJCHWGVXDI-JSGCOSHPSA-N 1 1 322.409 1.674 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCC1(C)C ZINC000881388045 707228119 /nfs/dbraw/zinc/22/81/19/707228119.db2.gz FINKBJCIBGHTNU-UHFFFAOYSA-N 1 1 308.338 1.252 20 5 DDBDMO [NH3+]C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872149838 707303846 /nfs/dbraw/zinc/30/38/46/707303846.db2.gz RDVSDIJLSMKBSJ-MWLCHTKSSA-N 1 1 319.283 1.869 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000837414254 707641082 /nfs/dbraw/zinc/64/10/82/707641082.db2.gz RYZCAMDXZOZNTQ-GFCCVEGCSA-N 1 1 310.354 1.597 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@]2(C)C1 ZINC000896912391 708180474 /nfs/dbraw/zinc/18/04/74/708180474.db2.gz WDMFKQYQGRDSDI-BMIGLBTASA-N 1 1 304.350 1.082 20 5 DDBDMO CCOCCOCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000897203844 708252628 /nfs/dbraw/zinc/25/26/28/708252628.db2.gz FTHXZTVETDKGJH-UHFFFAOYSA-N 1 1 309.322 1.879 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886689774 708814460 /nfs/dbraw/zinc/81/44/60/708814460.db2.gz HNFJTXSIDPWHQV-CYBMUJFWSA-N 1 1 316.365 1.769 20 5 DDBDMO O=C1C[C@@H]([N@@H+]2CC[C@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303593 709012092 /nfs/dbraw/zinc/01/20/92/709012092.db2.gz XFUJJEKFCRKDRJ-ZWNOBZJWSA-N 1 1 321.308 1.518 20 5 DDBDMO O=C1C[C@@H]([N@H+]2CC[C@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303593 709012096 /nfs/dbraw/zinc/01/20/96/709012096.db2.gz XFUJJEKFCRKDRJ-ZWNOBZJWSA-N 1 1 321.308 1.518 20 5 DDBDMO C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000887403212 709037674 /nfs/dbraw/zinc/03/76/74/709037674.db2.gz RLTBAVYKORUDFK-ZDUSSCGKSA-N 1 1 320.393 1.062 20 5 DDBDMO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888992355 709425675 /nfs/dbraw/zinc/42/56/75/709425675.db2.gz IDBSAYSDFPDPGU-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888992355 709425677 /nfs/dbraw/zinc/42/56/77/709425677.db2.gz IDBSAYSDFPDPGU-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269078 709853343 /nfs/dbraw/zinc/85/33/43/709853343.db2.gz DSOGJLVYQBLFKU-DOMZBBRYSA-N 1 1 321.377 1.571 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000928249075 713157380 /nfs/dbraw/zinc/15/73/80/713157380.db2.gz OWPYOEKBDNRZOK-BXUZGUMPSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000928249075 713157381 /nfs/dbraw/zinc/15/73/81/713157381.db2.gz OWPYOEKBDNRZOK-BXUZGUMPSA-N 1 1 307.350 1.493 20 5 DDBDMO COc1c(O)ccc(CNCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000893304368 710591470 /nfs/dbraw/zinc/59/14/70/710591470.db2.gz MQBPTHIEJGGPQT-UHFFFAOYSA-N 1 1 307.350 1.661 20 5 DDBDMO COc1c(O)ccc(CNCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000893304368 710591474 /nfs/dbraw/zinc/59/14/74/710591474.db2.gz MQBPTHIEJGGPQT-UHFFFAOYSA-N 1 1 307.350 1.661 20 5 DDBDMO CCO[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000902528456 710783335 /nfs/dbraw/zinc/78/33/35/710783335.db2.gz PSSTXEUSULQWSJ-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000902528456 710783339 /nfs/dbraw/zinc/78/33/39/710783339.db2.gz PSSTXEUSULQWSJ-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928554503 713224069 /nfs/dbraw/zinc/22/40/69/713224069.db2.gz PYIKICOAXGGALX-LBPRGKRZSA-N 1 1 307.350 1.816 20 5 DDBDMO CC(C)Oc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928554503 713224070 /nfs/dbraw/zinc/22/40/70/713224070.db2.gz PYIKICOAXGGALX-LBPRGKRZSA-N 1 1 307.350 1.816 20 5 DDBDMO C[N@@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1CO ZINC000894881214 711306985 /nfs/dbraw/zinc/30/69/85/711306985.db2.gz LMBMWOMIJGWTAN-SECBINFHSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@@H]1CO ZINC000894881214 711306987 /nfs/dbraw/zinc/30/69/87/711306987.db2.gz LMBMWOMIJGWTAN-SECBINFHSA-N 1 1 319.283 1.726 20 5 DDBDMO CN(CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1ccccc1[N+](=O)[O-] ZINC000913536654 713248672 /nfs/dbraw/zinc/24/86/72/713248672.db2.gz GLRRQDHUBXUOGH-BETUJISGSA-N 1 1 318.377 1.336 20 5 DDBDMO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247160 711464781 /nfs/dbraw/zinc/46/47/81/711464781.db2.gz FEOHBFKRLSFPLT-NXEZZACHSA-N 1 1 324.410 1.350 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000905696098 712121691 /nfs/dbraw/zinc/12/16/91/712121691.db2.gz SYZMCVHPUZKARB-NSHDSACASA-N 1 1 318.333 1.597 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCOCC1 ZINC000908277714 712726674 /nfs/dbraw/zinc/72/66/74/712726674.db2.gz DMJYHTSEZZLLSC-UHFFFAOYSA-N 1 1 323.349 1.654 20 5 DDBDMO C[N@H+]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915278107 713415166 /nfs/dbraw/zinc/41/51/66/713415166.db2.gz KMQMPQQXHRXGIR-UHFFFAOYSA-N 1 1 317.349 1.109 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCO[C@@H]3CCOC3)C2)nc1 ZINC000929988907 713730072 /nfs/dbraw/zinc/73/00/72/713730072.db2.gz OOYWMASFHLUNNZ-GXTWGEPZSA-N 1 1 322.365 1.282 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000930362937 713814304 /nfs/dbraw/zinc/81/43/04/713814304.db2.gz BRWGXFRXUQWHDD-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO O=[N+]([O-])CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930454231 713839372 /nfs/dbraw/zinc/83/93/72/713839372.db2.gz FLSUVLVKSSZZDJ-KRWDZBQOSA-N 1 1 318.421 1.155 20 5 DDBDMO COc1ccc(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000930770128 713915987 /nfs/dbraw/zinc/91/59/87/713915987.db2.gz VUFUOCDWENYWIM-GWCFXTLKSA-N 1 1 320.349 1.771 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000931261542 714050796 /nfs/dbraw/zinc/05/07/96/714050796.db2.gz BBMUBXWZNBGAGJ-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC000931459972 714102769 /nfs/dbraw/zinc/10/27/69/714102769.db2.gz CPFNJDDRWVUTRU-IINYFYTJSA-N 1 1 302.334 1.971 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2c[nH]nc21 ZINC000931460725 714103088 /nfs/dbraw/zinc/10/30/88/714103088.db2.gz LAVKAMLBSSJMMU-JTQLQIEISA-N 1 1 303.322 1.099 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2c[nH]nc21 ZINC000931460725 714103090 /nfs/dbraw/zinc/10/30/90/714103090.db2.gz LAVKAMLBSSJMMU-JTQLQIEISA-N 1 1 303.322 1.099 20 5 DDBDMO O=C1N[C@@H](C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CO1 ZINC000932779712 714412114 /nfs/dbraw/zinc/41/21/14/714412114.db2.gz BKRFMGDTFBCPJF-LLVKDONJSA-N 1 1 311.363 1.977 20 5 DDBDMO C[C@H]([NH2+][C@@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000933038615 714505968 /nfs/dbraw/zinc/50/59/68/714505968.db2.gz NGZIYLMBPLWHOH-SMDDNHRTSA-N 1 1 319.361 1.541 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000933171762 714527251 /nfs/dbraw/zinc/52/72/51/714527251.db2.gz YQOZCRGCNHZXQS-VXGBXAGGSA-N 1 1 323.349 1.030 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000933440019 714589718 /nfs/dbraw/zinc/58/97/18/714589718.db2.gz XDMBIQLHULEGAH-AAEUAGOBSA-N 1 1 323.397 1.288 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)n1 ZINC000933682110 714647587 /nfs/dbraw/zinc/64/75/87/714647587.db2.gz OMMSDXQRUWEYBV-CHWSQXEVSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2C[C@H]2CCCO2)n1 ZINC000933682110 714647588 /nfs/dbraw/zinc/64/75/88/714647588.db2.gz OMMSDXQRUWEYBV-CHWSQXEVSA-N 1 1 310.354 1.061 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934121147 714747263 /nfs/dbraw/zinc/74/72/63/714747263.db2.gz KOUPFODPQIFTKG-OCCSQVGLSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934121147 714747266 /nfs/dbraw/zinc/74/72/66/714747266.db2.gz KOUPFODPQIFTKG-OCCSQVGLSA-N 1 1 323.349 1.651 20 5 DDBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCN(C(C)=O)CC1 ZINC000957654250 715986223 /nfs/dbraw/zinc/98/62/23/715986223.db2.gz PXCJKOWGFJOYLQ-UHFFFAOYSA-N 1 1 323.397 1.409 20 5 DDBDMO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589294 718844216 /nfs/dbraw/zinc/84/42/16/718844216.db2.gz QHIFIMVNWCLTGW-LXTVHRRPSA-N 1 1 309.410 1.478 20 5 DDBDMO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589294 718844222 /nfs/dbraw/zinc/84/42/22/718844222.db2.gz QHIFIMVNWCLTGW-LXTVHRRPSA-N 1 1 309.410 1.478 20 5 DDBDMO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589294 718844227 /nfs/dbraw/zinc/84/42/27/718844227.db2.gz QHIFIMVNWCLTGW-LXTVHRRPSA-N 1 1 309.410 1.478 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001164674828 719426233 /nfs/dbraw/zinc/42/62/33/719426233.db2.gz XOBFLWRFKXMHKS-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC001022064073 734368610 /nfs/dbraw/zinc/36/86/10/734368610.db2.gz UPTUODPBIMLATB-QVHKTLOISA-N 1 1 321.352 1.536 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064071 734368729 /nfs/dbraw/zinc/36/87/29/734368729.db2.gz UOBVKRAVOMEHDP-WRWGMCAJSA-N 1 1 324.768 1.137 20 5 DDBDMO COCC[NH+](CCOC)C1CN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC001120943582 744569646 /nfs/dbraw/zinc/56/96/46/744569646.db2.gz IEIDTTQCLJQGQL-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2ncnc(NCC3([NH+]4CCCC4)COC3)c12 ZINC001168444565 744946997 /nfs/dbraw/zinc/94/69/97/744946997.db2.gz VJYOMODCOSWKBT-UHFFFAOYSA-N 1 1 318.337 1.143 20 5 DDBDMO COC1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001122029138 745052009 /nfs/dbraw/zinc/05/20/09/745052009.db2.gz RJEVIVSSVVBRED-OAHLLOKOSA-N 1 1 307.350 1.406 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001200470897 748264703 /nfs/dbraw/zinc/26/47/03/748264703.db2.gz AFTIQLZYHFMROL-AQKAQLFCSA-N 1 1 322.192 1.551 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000996428423 749586004 /nfs/dbraw/zinc/58/60/04/749586004.db2.gz CFKDWLJEATUCFR-HUUCEWRRSA-N 1 1 321.352 1.572 20 5 DDBDMO CCOC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978820 762147041 /nfs/dbraw/zinc/14/70/41/762147041.db2.gz UMZLJSCRDHAOSL-TUAOUCFPSA-N 1 1 304.412 1.706 20 5 DDBDMO CCN1CC[C@@]2(C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025836 762203647 /nfs/dbraw/zinc/20/36/47/762203647.db2.gz ZGHNKMYSVBISMA-FQLMCAECSA-N 1 1 309.410 1.622 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054389 762210220 /nfs/dbraw/zinc/21/02/20/762210220.db2.gz LTEJMGNVMCYJCB-RAIGVLPGSA-N 1 1 310.329 1.514 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001170342977 766275130 /nfs/dbraw/zinc/27/51/30/766275130.db2.gz NMYMZZZGTKRORO-UHFFFAOYSA-N 1 1 313.317 1.844 20 5 DDBDMO CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525291 769492560 /nfs/dbraw/zinc/49/25/60/769492560.db2.gz SMBAJYRTAVVBNC-YIDVYQOGSA-N 1 1 321.421 1.977 20 5 DDBDMO CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525291 769492568 /nfs/dbraw/zinc/49/25/68/769492568.db2.gz SMBAJYRTAVVBNC-YIDVYQOGSA-N 1 1 321.421 1.977 20 5 DDBDMO CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525291 769492573 /nfs/dbraw/zinc/49/25/73/769492573.db2.gz SMBAJYRTAVVBNC-YIDVYQOGSA-N 1 1 321.421 1.977 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093787420 775078134 /nfs/dbraw/zinc/07/81/34/775078134.db2.gz CBCXAVPCXYAGOB-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](CO)C2)c1F ZINC001173188881 777036330 /nfs/dbraw/zinc/03/63/30/777036330.db2.gz HPOYHAGYPWJTRD-GHMZBOCLSA-N 1 1 312.341 1.988 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](CO)C2)c1F ZINC001173188892 777036746 /nfs/dbraw/zinc/03/67/46/777036746.db2.gz HPOYHAGYPWJTRD-WDEREUQCSA-N 1 1 312.341 1.988 20 5 DDBDMO COCCN1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220665 777053531 /nfs/dbraw/zinc/05/35/31/777053531.db2.gz BTJQXFVHDRBTEV-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1c(CC(=O)NCc2c[nH+]c3n2CCC3)cccc1[N+](=O)[O-] ZINC001177740627 778718071 /nfs/dbraw/zinc/71/80/71/778718071.db2.gz WCDGMQMTDSRZQH-UHFFFAOYSA-N 1 1 314.345 1.905 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709318 779154456 /nfs/dbraw/zinc/15/44/56/779154456.db2.gz MDOBQLYLOGHHHL-ZDUSSCGKSA-N 1 1 309.341 1.733 20 5 DDBDMO Cc1cc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)on1 ZINC001267257758 837680455 /nfs/dbraw/zinc/68/04/55/837680455.db2.gz SSYPYHFWJUQHTC-ZIAGYGMSSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1cc(C[N@@H+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)on1 ZINC001267257758 837680459 /nfs/dbraw/zinc/68/04/59/837680459.db2.gz SSYPYHFWJUQHTC-ZIAGYGMSSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1cc(C[N@H+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)on1 ZINC001267257758 837680464 /nfs/dbraw/zinc/68/04/64/837680464.db2.gz SSYPYHFWJUQHTC-ZIAGYGMSSA-N 1 1 324.381 1.365 20 5 DDBDMO C[NH+](C)C=Cc1cc(Nc2c[nH]c(=O)nc2N)ncc1[N+](=O)[O-] ZINC001155264151 861910232 /nfs/dbraw/zinc/91/02/32/861910232.db2.gz ZNGJYVTULVTHOS-ONEGZZNKSA-N 1 1 317.309 1.344 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001148553841 850804825 /nfs/dbraw/zinc/80/48/25/850804825.db2.gz VYISZYGHLVRCAU-GFCCVEGCSA-N 1 1 306.366 1.712 20 5 DDBDMO CN(C)C1(CNc2cc(N)c([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001156182353 862787430 /nfs/dbraw/zinc/78/74/30/862787430.db2.gz QOINSKXDNMQABT-UHFFFAOYSA-N 1 1 308.386 1.010 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156827367 863372361 /nfs/dbraw/zinc/37/23/61/863372361.db2.gz CCFZCYYAUYSMGK-GFCCVEGCSA-N 1 1 324.356 1.776 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1[N+](=O)[O-] ZINC001333581883 866858932 /nfs/dbraw/zinc/85/89/32/866858932.db2.gz HNSRLWQAICAPCA-SNVBAGLBSA-N 1 1 308.338 1.382 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c1[N+](=O)[O-] ZINC001333581883 866858946 /nfs/dbraw/zinc/85/89/46/866858946.db2.gz HNSRLWQAICAPCA-SNVBAGLBSA-N 1 1 308.338 1.382 20 5 DDBDMO [NH3+][C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)CCC1(F)F ZINC001164319625 869124203 /nfs/dbraw/zinc/12/42/03/869124203.db2.gz KYXLDRJOQLGDQK-NSHDSACASA-N 1 1 309.276 1.711 20 5 DDBDMO Cc1cnc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001164490660 869230234 /nfs/dbraw/zinc/23/02/34/869230234.db2.gz QCBTVVGDAKUBAV-VXGBXAGGSA-N 1 1 322.365 1.024 20 5 DDBDMO CC(=O)c1c(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085166 869790653 /nfs/dbraw/zinc/79/06/53/869790653.db2.gz VLQABJDAHZELAA-NHYWBVRUSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085166 869790659 /nfs/dbraw/zinc/79/06/59/869790659.db2.gz VLQABJDAHZELAA-NHYWBVRUSA-N 1 1 320.393 1.844 20 5 DDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340877179 871404664 /nfs/dbraw/zinc/40/46/64/871404664.db2.gz CRXZWLLICMCJAS-SDDRHHMPSA-N 1 1 310.402 1.555 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC001347181894 874044847 /nfs/dbraw/zinc/04/48/47/874044847.db2.gz PYCSMZQRQUPWOS-NSHDSACASA-N 1 1 308.382 1.813 20 5 DDBDMO COCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258592 882939029 /nfs/dbraw/zinc/93/90/29/882939029.db2.gz SYQWIIDBEYBIAK-ZIAGYGMSSA-N 1 1 313.398 1.049 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001215998116 876839059 /nfs/dbraw/zinc/83/90/59/876839059.db2.gz UVDJMWPEBSDAIW-LLVKDONJSA-N 1 1 307.354 1.265 20 5 DDBDMO Nc1ccc2n(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)c3ccccc3cc-2c1=O ZINC001219255825 878060290 /nfs/dbraw/zinc/06/02/90/878060290.db2.gz LXNWDLSRBIMRFY-RISCZKNCSA-N 1 1 322.368 1.018 20 5 DDBDMO CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114769 880835999 /nfs/dbraw/zinc/83/59/99/880835999.db2.gz RPYHXJWXSNHHOF-HUUCEWRRSA-N 1 1 311.426 1.916 20 5 DDBDMO COC(=O)c1c(CO[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223292873 880909340 /nfs/dbraw/zinc/90/93/40/880909340.db2.gz BEYTXJHGYXPQCT-LBPRGKRZSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C3CC3)[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228607514 883571523 /nfs/dbraw/zinc/57/15/23/883571523.db2.gz WBGYYDYTBSLRGV-URLYPYJESA-N 1 1 320.349 1.972 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C3CC3)[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228607514 883571533 /nfs/dbraw/zinc/57/15/33/883571533.db2.gz WBGYYDYTBSLRGV-URLYPYJESA-N 1 1 320.349 1.972 20 5 DDBDMO CC(C)C(=O)Nc1nc2nc[nH]c2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001230446754 884492924 /nfs/dbraw/zinc/49/29/24/884492924.db2.gz WFZDBACOGKHVGN-SNVBAGLBSA-O 1 1 321.405 1.421 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@@H](CO)C3)CC2)cc1 ZINC001254474072 896456345 /nfs/dbraw/zinc/45/63/45/896456345.db2.gz KVHBWBSJOSQSFL-MRXNPFEDSA-N 1 1 321.377 1.257 20 5 DDBDMO CC(=O)N1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254608703 896530836 /nfs/dbraw/zinc/53/08/36/896530836.db2.gz SJYLCYWGSNSCRG-ZBEGNZNMSA-N 1 1 303.362 1.615 20 5 DDBDMO CC(=O)N1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254608703 896530845 /nfs/dbraw/zinc/53/08/45/896530845.db2.gz SJYLCYWGSNSCRG-ZBEGNZNMSA-N 1 1 303.362 1.615 20 5 DDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccsc1 ZINC001266042800 902824373 /nfs/dbraw/zinc/82/43/73/902824373.db2.gz PDMSMCPMNDVPKU-CHWSQXEVSA-N 1 1 311.407 1.742 20 5 DDBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccsc1 ZINC001266042800 902824389 /nfs/dbraw/zinc/82/43/89/902824389.db2.gz PDMSMCPMNDVPKU-CHWSQXEVSA-N 1 1 311.407 1.742 20 5 DDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccsc1 ZINC001266042800 902824402 /nfs/dbraw/zinc/82/44/02/902824402.db2.gz PDMSMCPMNDVPKU-CHWSQXEVSA-N 1 1 311.407 1.742 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001293854983 914734116 /nfs/dbraw/zinc/73/41/16/914734116.db2.gz KABQUWDTXATABP-UHFFFAOYSA-N 1 1 317.349 1.892 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278503522 214196445 /nfs/dbraw/zinc/19/64/45/214196445.db2.gz VVHBUINZYQHHKX-OAHLLOKOSA-N 1 1 303.362 1.880 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C)(C)C(N)=O ZINC000451138521 231017039 /nfs/dbraw/zinc/01/70/39/231017039.db2.gz ZMUFKIRGCSHSDZ-UHFFFAOYSA-N 1 1 322.365 1.428 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000452123110 231310230 /nfs/dbraw/zinc/31/02/30/231310230.db2.gz IAXXAPLDBIYJLB-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452136607 231317850 /nfs/dbraw/zinc/31/78/50/231317850.db2.gz YSWUJQZHDXKHCC-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452136607 231317853 /nfs/dbraw/zinc/31/78/53/231317853.db2.gz YSWUJQZHDXKHCC-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO C[N@@H+](CCCCNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000413348890 529884296 /nfs/dbraw/zinc/88/42/96/529884296.db2.gz PSMUXEOCOBIKED-UHFFFAOYSA-N 1 1 306.366 1.980 20 5 DDBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000297322165 529915795 /nfs/dbraw/zinc/91/57/95/529915795.db2.gz CSPWLVNMISGXTO-UHFFFAOYSA-N 1 1 313.358 1.248 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330897379 232145625 /nfs/dbraw/zinc/14/56/25/232145625.db2.gz HLLLYKIXJRLJSP-VXGBXAGGSA-N 1 1 307.350 1.573 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286837785 219190402 /nfs/dbraw/zinc/19/04/02/219190402.db2.gz XYCLGEQDXSBUFB-UHFFFAOYSA-N 1 1 321.337 1.505 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000358391862 299140327 /nfs/dbraw/zinc/14/03/27/299140327.db2.gz ITIQALUXLALPCD-CMPLNLGQSA-N 1 1 309.341 1.875 20 5 DDBDMO COC[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000279783346 215144132 /nfs/dbraw/zinc/14/41/32/215144132.db2.gz LNLCGOSHGZQLEF-GFCCVEGCSA-N 1 1 323.374 1.815 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159581685 186129241 /nfs/dbraw/zinc/12/92/41/186129241.db2.gz OOWAGRPRUYSLNB-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](CCn1cccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181868728 186212732 /nfs/dbraw/zinc/21/27/32/186212732.db2.gz AOPHEOIMUYJGTD-ZDUSSCGKSA-N 1 1 320.349 1.163 20 5 DDBDMO C[C@H]1CSCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000172590333 198118960 /nfs/dbraw/zinc/11/89/60/198118960.db2.gz DRLUAKVRTAVZJX-AAEUAGOBSA-N 1 1 312.391 1.772 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043149044 352362921 /nfs/dbraw/zinc/36/29/21/352362921.db2.gz VAROWPPOVPOZMM-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000060410898 352872562 /nfs/dbraw/zinc/87/25/62/352872562.db2.gz KCYGONHABKWOPT-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068520257 353116448 /nfs/dbraw/zinc/11/64/48/353116448.db2.gz BYDSONUEWRBGFN-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000070870427 353184734 /nfs/dbraw/zinc/18/47/34/353184734.db2.gz FMABQHAZTDEHSI-UHFFFAOYSA-N 1 1 321.333 1.144 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174104996 198292562 /nfs/dbraw/zinc/29/25/62/198292562.db2.gz MAQIPKSCXZQCPZ-CQSZACIVSA-N 1 1 324.377 1.959 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000174189028 198303231 /nfs/dbraw/zinc/30/32/31/198303231.db2.gz FSFSBNGSGJHRBV-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074764473 353329585 /nfs/dbraw/zinc/32/95/85/353329585.db2.gz XXTVLTJKPUPLNM-UHFFFAOYSA-N 1 1 306.366 1.484 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000080389911 353605561 /nfs/dbraw/zinc/60/55/61/353605561.db2.gz UGPUFPSDNGQEFY-UHFFFAOYSA-N 1 1 318.333 1.685 20 5 DDBDMO COCCC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080605773 353617785 /nfs/dbraw/zinc/61/77/85/353617785.db2.gz ZVFNSHYMZHDVCO-UHFFFAOYSA-N 1 1 308.382 1.847 20 5 DDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000091461459 353827379 /nfs/dbraw/zinc/82/73/79/353827379.db2.gz GSSQTBBHMNQSAB-UHFFFAOYSA-N 1 1 308.338 1.915 20 5 DDBDMO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000093064733 353884109 /nfs/dbraw/zinc/88/41/09/353884109.db2.gz SUAKRCKROVPJES-KGLIPLIRSA-N 1 1 304.350 1.079 20 5 DDBDMO CCNC(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131311531 354099364 /nfs/dbraw/zinc/09/93/64/354099364.db2.gz AGHLNGIEALJLGV-UHFFFAOYSA-N 1 1 303.265 1.422 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000149245095 354172274 /nfs/dbraw/zinc/17/22/74/354172274.db2.gz PRLPODPIQNDCPE-UHFFFAOYSA-N 1 1 319.361 1.670 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000143978993 354152095 /nfs/dbraw/zinc/15/20/95/354152095.db2.gz ICARADYTZUZCBE-NSHDSACASA-N 1 1 304.350 1.603 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739655 354200880 /nfs/dbraw/zinc/20/08/80/354200880.db2.gz DYOOXXGQBNOPRR-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739655 354200885 /nfs/dbraw/zinc/20/08/85/354200885.db2.gz DYOOXXGQBNOPRR-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192525 283017438 /nfs/dbraw/zinc/01/74/38/283017438.db2.gz NLMHDWPAINVCFG-HBNTYKKESA-N 1 1 307.354 1.120 20 5 DDBDMO O=c1[nH]cnc2cc(N[C@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000320983901 354530450 /nfs/dbraw/zinc/53/04/50/354530450.db2.gz BNZSXYRURXVRHY-VIFPVBQESA-N 1 1 315.333 1.892 20 5 DDBDMO C[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668487 299218168 /nfs/dbraw/zinc/21/81/68/299218168.db2.gz XNRIFYZIDPGCGH-IAQYHMDHSA-N 1 1 322.365 1.022 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000322570957 354537626 /nfs/dbraw/zinc/53/76/26/354537626.db2.gz FUMKGRKYHOUMSJ-CHWSQXEVSA-N 1 1 318.377 1.993 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706850 354831190 /nfs/dbraw/zinc/83/11/90/354831190.db2.gz SKBFFHFHMQBQGB-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706850 354831195 /nfs/dbraw/zinc/83/11/95/354831195.db2.gz SKBFFHFHMQBQGB-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H]1C ZINC000588009276 354893472 /nfs/dbraw/zinc/89/34/72/354893472.db2.gz DSMJUAXWGLCCQJ-MNOVXSKESA-N 1 1 308.382 1.588 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067577 354898696 /nfs/dbraw/zinc/89/86/96/354898696.db2.gz AADFNHOZZAZWGH-JTQLQIEISA-N 1 1 317.305 1.400 20 5 DDBDMO CC[N@H+]1CCC[C@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000587416339 354882734 /nfs/dbraw/zinc/88/27/34/354882734.db2.gz XSIYIENJPXOHHK-NSHDSACASA-N 1 1 322.365 1.981 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CCCOC2)c1 ZINC000589516638 354998848 /nfs/dbraw/zinc/99/88/48/354998848.db2.gz OOHQXABZDHWACI-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCCOC2)c1 ZINC000589516638 354998852 /nfs/dbraw/zinc/99/88/52/354998852.db2.gz OOHQXABZDHWACI-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590044137 355042333 /nfs/dbraw/zinc/04/23/33/355042333.db2.gz HGHYQLITGDWLKP-YPMHNXCESA-N 1 1 305.334 1.136 20 5 DDBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196511 355533116 /nfs/dbraw/zinc/53/31/16/355533116.db2.gz CBXZXDGZKCIPFD-STQMWFEESA-N 1 1 308.334 1.259 20 5 DDBDMO CC1([NH3+])CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592485243 355596094 /nfs/dbraw/zinc/59/60/94/355596094.db2.gz SWVBSLDZMKPWTM-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO COc1ncncc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592513989 355609088 /nfs/dbraw/zinc/60/90/88/355609088.db2.gz NVAMAXXEPCZXGM-UHFFFAOYSA-N 1 1 318.337 1.427 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593107958 355800035 /nfs/dbraw/zinc/80/00/35/355800035.db2.gz RTRVCCUDSCLMQD-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593107958 355800039 /nfs/dbraw/zinc/80/00/39/355800039.db2.gz RTRVCCUDSCLMQD-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)C(C)(C)O)c1 ZINC000593029601 355774737 /nfs/dbraw/zinc/77/47/37/355774737.db2.gz CTSLGAVMKAXGFX-SNVBAGLBSA-N 1 1 310.350 1.973 20 5 DDBDMO COCCOCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000593516281 355910722 /nfs/dbraw/zinc/91/07/22/355910722.db2.gz CRUODMQKTVPYPT-UHFFFAOYSA-N 1 1 324.381 1.083 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593573239 355930529 /nfs/dbraw/zinc/93/05/29/355930529.db2.gz VWKNNMAZCWBHRY-WDEREUQCSA-N 1 1 309.341 1.827 20 5 DDBDMO [NH3+]C[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727030 355977034 /nfs/dbraw/zinc/97/70/34/355977034.db2.gz APWCMFNOQRIXEH-ZDUSSCGKSA-N 1 1 321.377 1.488 20 5 DDBDMO [NH3+]C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727030 355977036 /nfs/dbraw/zinc/97/70/36/355977036.db2.gz APWCMFNOQRIXEH-ZDUSSCGKSA-N 1 1 321.377 1.488 20 5 DDBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055358 356101411 /nfs/dbraw/zinc/10/14/11/356101411.db2.gz KZDXKESHWMJTCX-BXUZGUMPSA-N 1 1 310.350 1.180 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594200385 356137912 /nfs/dbraw/zinc/13/79/12/356137912.db2.gz LRQWSSHZPJDCFR-OLZOCXBDSA-N 1 1 306.366 1.680 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594200417 356138357 /nfs/dbraw/zinc/13/83/57/356138357.db2.gz LVXPZTJKPOFQEM-NWDGAFQWSA-N 1 1 321.381 1.383 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000594716036 356294397 /nfs/dbraw/zinc/29/43/97/356294397.db2.gz GWZOXUPYWIFDGD-GJZGRUSLSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000594716036 356294401 /nfs/dbraw/zinc/29/44/01/356294401.db2.gz GWZOXUPYWIFDGD-GJZGRUSLSA-N 1 1 320.324 1.738 20 5 DDBDMO COCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019557 356372814 /nfs/dbraw/zinc/37/28/14/356372814.db2.gz QXZWBVXBCNAQGA-STQMWFEESA-N 1 1 323.393 1.975 20 5 DDBDMO COCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019557 356372818 /nfs/dbraw/zinc/37/28/18/356372818.db2.gz QXZWBVXBCNAQGA-STQMWFEESA-N 1 1 323.393 1.975 20 5 DDBDMO O=C(CC[N@H+]1CCn2cncc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595491620 356516870 /nfs/dbraw/zinc/51/68/70/356516870.db2.gz SQGWFIWBVDPZTR-UHFFFAOYSA-N 1 1 315.333 1.636 20 5 DDBDMO Cc1noc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595496403 356518917 /nfs/dbraw/zinc/51/89/17/356518917.db2.gz BLJIFNFYEVADKU-LLVKDONJSA-N 1 1 324.381 1.576 20 5 DDBDMO CCCC[C@H](C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236935457 202079470 /nfs/dbraw/zinc/07/94/70/202079470.db2.gz SUABWTKFUIIPQK-SECBINFHSA-N 1 1 305.338 1.718 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000595744994 356632605 /nfs/dbraw/zinc/63/26/05/356632605.db2.gz XQNZRENLMQTPJL-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000595744994 356632607 /nfs/dbraw/zinc/63/26/07/356632607.db2.gz XQNZRENLMQTPJL-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595736345 356628330 /nfs/dbraw/zinc/62/83/30/356628330.db2.gz FAVGTCMYXPGLPT-SMDDNHRTSA-N 1 1 319.361 1.704 20 5 DDBDMO O=C1[C@@H]([N@H+]2CC[C@@]3(O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595757466 356640151 /nfs/dbraw/zinc/64/01/51/356640151.db2.gz MCSPSAMWCKWMRP-HZUKXOBISA-N 1 1 317.345 1.157 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CC[C@@]3(O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595757466 356640154 /nfs/dbraw/zinc/64/01/54/356640154.db2.gz MCSPSAMWCKWMRP-HZUKXOBISA-N 1 1 317.345 1.157 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](C2CC2)C1 ZINC000596255402 356834525 /nfs/dbraw/zinc/83/45/25/356834525.db2.gz OKKSUUPBOWELEO-LLVKDONJSA-N 1 1 318.377 1.614 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000597861453 357362596 /nfs/dbraw/zinc/36/25/96/357362596.db2.gz UNMKCFBFTRCDTL-NSHDSACASA-N 1 1 323.397 1.661 20 5 DDBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](CC)C1 ZINC000598042774 357439625 /nfs/dbraw/zinc/43/96/25/357439625.db2.gz YATPBODSMDUCKK-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598512441 357612002 /nfs/dbraw/zinc/61/20/02/357612002.db2.gz SQXHOCALEUJVLA-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598512441 357612008 /nfs/dbraw/zinc/61/20/08/357612008.db2.gz SQXHOCALEUJVLA-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648771 357669920 /nfs/dbraw/zinc/66/99/20/357669920.db2.gz HGEAZGKGYOHXAO-CHWSQXEVSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648771 357669927 /nfs/dbraw/zinc/66/99/27/357669927.db2.gz HGEAZGKGYOHXAO-CHWSQXEVSA-N 1 1 321.377 1.508 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716206 357701753 /nfs/dbraw/zinc/70/17/53/357701753.db2.gz AIFMNIWVMXDIRD-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643654 358003804 /nfs/dbraw/zinc/00/38/04/358003804.db2.gz BUJDNDFIDKKDMY-KLPPZKSPSA-N 1 1 320.349 1.037 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@H]21 ZINC000599661224 358013712 /nfs/dbraw/zinc/01/37/12/358013712.db2.gz TVCUSCRLCKCBBO-XQQFMLRXSA-N 1 1 322.365 1.455 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000599704830 358032964 /nfs/dbraw/zinc/03/29/64/358032964.db2.gz UVHWKCCOKKHLPY-AWEZNQCLSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600071546 358115151 /nfs/dbraw/zinc/11/51/51/358115151.db2.gz DOPWVGBXCRVYFA-UHFFFAOYSA-N 1 1 310.329 1.416 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000600205853 358156584 /nfs/dbraw/zinc/15/65/84/358156584.db2.gz XVFBOIYKQLTNCQ-IYBDPMFKSA-N 1 1 308.378 1.716 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600312986 358192782 /nfs/dbraw/zinc/19/27/82/358192782.db2.gz WLZOLQLNSKIGLF-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO O=C(NCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601100585 358402219 /nfs/dbraw/zinc/40/22/19/358402219.db2.gz OELWELSHZYYGII-UHFFFAOYSA-N 1 1 300.318 1.503 20 5 DDBDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000602448570 358983926 /nfs/dbraw/zinc/98/39/26/358983926.db2.gz MKUJIYUBPHXQLN-GFCCVEGCSA-N 1 1 316.365 1.806 20 5 DDBDMO Cc1nccc([C@@H]2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000602448570 358983928 /nfs/dbraw/zinc/98/39/28/358983928.db2.gz MKUJIYUBPHXQLN-GFCCVEGCSA-N 1 1 316.365 1.806 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000602673581 359118565 /nfs/dbraw/zinc/11/85/65/359118565.db2.gz WAVQSHPJGFRCTJ-MFKMUULPSA-N 1 1 302.334 1.872 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000602778368 359185248 /nfs/dbraw/zinc/18/52/48/359185248.db2.gz AYXALHGQCISMIB-CYBMUJFWSA-N 1 1 318.381 1.398 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602829656 359222688 /nfs/dbraw/zinc/22/26/88/359222688.db2.gz WZUIXVGCQXCROH-GFCCVEGCSA-N 1 1 309.370 1.209 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000602950566 359316559 /nfs/dbraw/zinc/31/65/59/359316559.db2.gz FUZFZLMGKIXLHL-WDEREUQCSA-N 1 1 307.354 1.276 20 5 DDBDMO CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000602961630 359325030 /nfs/dbraw/zinc/32/50/30/359325030.db2.gz XZMKUTDSPXHDIS-LBPRGKRZSA-N 1 1 321.381 1.668 20 5 DDBDMO O=[N+]([O-])c1cccc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)c1 ZINC000603165175 359449799 /nfs/dbraw/zinc/44/97/99/359449799.db2.gz VKOIGJMHZDKRBZ-OAHLLOKOSA-N 1 1 317.349 1.191 20 5 DDBDMO O=[N+]([O-])c1cccc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)c1 ZINC000603165175 359449804 /nfs/dbraw/zinc/44/98/04/359449804.db2.gz VKOIGJMHZDKRBZ-OAHLLOKOSA-N 1 1 317.349 1.191 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186758478 200005263 /nfs/dbraw/zinc/00/52/63/200005263.db2.gz CMFKGAQTQTZNQR-HNNXBMFYSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186758478 200005264 /nfs/dbraw/zinc/00/52/64/200005264.db2.gz CMFKGAQTQTZNQR-HNNXBMFYSA-N 1 1 323.393 1.361 20 5 DDBDMO CN(CC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186758478 200005266 /nfs/dbraw/zinc/00/52/66/200005266.db2.gz CMFKGAQTQTZNQR-HNNXBMFYSA-N 1 1 323.393 1.361 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187675240 200143047 /nfs/dbraw/zinc/14/30/47/200143047.db2.gz IIRBQNMORBKUNW-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604278244 359731911 /nfs/dbraw/zinc/73/19/11/359731911.db2.gz XTTSHDRRJFMUCQ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604278244 359731913 /nfs/dbraw/zinc/73/19/13/359731913.db2.gz XTTSHDRRJFMUCQ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399730 360304645 /nfs/dbraw/zinc/30/46/45/360304645.db2.gz MLENLWSTPZLRND-CQSZACIVSA-N 1 1 318.377 1.878 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000609895008 360364047 /nfs/dbraw/zinc/36/40/47/360364047.db2.gz YXNDBPRYUHMFIM-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000609895008 360364052 /nfs/dbraw/zinc/36/40/52/360364052.db2.gz YXNDBPRYUHMFIM-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610504991 360455487 /nfs/dbraw/zinc/45/54/87/360455487.db2.gz PSJITOCUXNSNOU-HUUCEWRRSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610504991 360455492 /nfs/dbraw/zinc/45/54/92/360455492.db2.gz PSJITOCUXNSNOU-HUUCEWRRSA-N 1 1 320.324 1.738 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762617 360530817 /nfs/dbraw/zinc/53/08/17/360530817.db2.gz GUAXHQIEJUSUCF-JSGCOSHPSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762617 360530822 /nfs/dbraw/zinc/53/08/22/360530822.db2.gz GUAXHQIEJUSUCF-JSGCOSHPSA-N 1 1 301.346 1.968 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564061 360760951 /nfs/dbraw/zinc/76/09/51/360760951.db2.gz VAXGEIWCBLSGSI-NWDGAFQWSA-N 1 1 322.361 1.959 20 5 DDBDMO COc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000611823804 360835077 /nfs/dbraw/zinc/83/50/77/360835077.db2.gz XVXPNCYYBWXYHN-UHFFFAOYSA-N 1 1 320.349 1.915 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292596647 223164860 /nfs/dbraw/zinc/16/48/60/223164860.db2.gz RIQXUGDPVHDKBY-HNNXBMFYSA-N 1 1 321.381 1.044 20 5 DDBDMO COCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193651043 201096297 /nfs/dbraw/zinc/09/62/97/201096297.db2.gz GGSVAZIEELYHSI-UHFFFAOYSA-N 1 1 324.337 1.267 20 5 DDBDMO COCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194821796 201295706 /nfs/dbraw/zinc/29/57/06/201295706.db2.gz FAWIMVWBPVLUHP-UHFFFAOYSA-N 1 1 313.310 1.334 20 5 DDBDMO COCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194821796 201295709 /nfs/dbraw/zinc/29/57/09/201295709.db2.gz FAWIMVWBPVLUHP-UHFFFAOYSA-N 1 1 313.310 1.334 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252433 363945204 /nfs/dbraw/zinc/94/52/04/363945204.db2.gz LKXFTCIZXGATTF-PWSUYJOCSA-N 1 1 322.340 1.435 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275271071 212238030 /nfs/dbraw/zinc/23/80/30/212238030.db2.gz UUZPFOOFPHFJBE-NSHDSACASA-N 1 1 305.334 1.834 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1=O ZINC000275271071 212238032 /nfs/dbraw/zinc/23/80/32/212238032.db2.gz UUZPFOOFPHFJBE-NSHDSACASA-N 1 1 305.334 1.834 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288576827 220254070 /nfs/dbraw/zinc/25/40/70/220254070.db2.gz UUSWGKUZJHVSJC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288576827 220254073 /nfs/dbraw/zinc/25/40/73/220254073.db2.gz UUSWGKUZJHVSJC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288576827 220254076 /nfs/dbraw/zinc/25/40/76/220254076.db2.gz UUSWGKUZJHVSJC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288576827 220254080 /nfs/dbraw/zinc/25/40/80/220254080.db2.gz UUSWGKUZJHVSJC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334042163 249190630 /nfs/dbraw/zinc/19/06/30/249190630.db2.gz GZFYJTBZHWJYGS-PWSUYJOCSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000159482580 197357311 /nfs/dbraw/zinc/35/73/11/197357311.db2.gz JINJVWZMNLFTIV-BDAKNGLRSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000159482580 197357313 /nfs/dbraw/zinc/35/73/13/197357313.db2.gz JINJVWZMNLFTIV-BDAKNGLRSA-N 1 1 315.757 1.888 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1(CO)CC1 ZINC000285350465 218392316 /nfs/dbraw/zinc/39/23/16/218392316.db2.gz AVSYZLMRVDHBHI-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000340745915 251189499 /nfs/dbraw/zinc/18/94/99/251189499.db2.gz SABCAHMFWCZGEE-JTQLQIEISA-N 1 1 320.378 1.684 20 5 DDBDMO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269193920 207313959 /nfs/dbraw/zinc/31/39/59/207313959.db2.gz PBWGHVGIRHYRAX-NSHDSACASA-N 1 1 307.350 1.905 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269193920 207313963 /nfs/dbraw/zinc/31/39/63/207313963.db2.gz PBWGHVGIRHYRAX-NSHDSACASA-N 1 1 307.350 1.905 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](CCO)CC2CC2)c([N+](=O)[O-])c1 ZINC000352458979 285063810 /nfs/dbraw/zinc/06/38/10/285063810.db2.gz RIJXQUJZUBMYNV-UHFFFAOYSA-N 1 1 323.349 1.246 20 5 DDBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000288616590 220292320 /nfs/dbraw/zinc/29/23/20/220292320.db2.gz RAWJXEVIOZRPMR-GZMMTYOYSA-N 1 1 318.782 1.771 20 5 DDBDMO CNc1nc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000458216833 533076199 /nfs/dbraw/zinc/07/61/99/533076199.db2.gz VPLPULVINRFJCW-NSHDSACASA-N 1 1 321.381 1.493 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000158701264 197295246 /nfs/dbraw/zinc/29/52/46/197295246.db2.gz MVIZKTMFILADPE-CQSZACIVSA-N 1 1 307.354 1.096 20 5 DDBDMO COc1cc(C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000158604852 197287432 /nfs/dbraw/zinc/28/74/32/197287432.db2.gz CYSXRBKEWXWANK-UHFFFAOYSA-N 1 1 323.349 1.309 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155354028 197047411 /nfs/dbraw/zinc/04/74/11/197047411.db2.gz IPIWDDOHYMRRPW-NSHDSACASA-N 1 1 322.365 1.380 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)nc1 ZINC000121613588 195317325 /nfs/dbraw/zinc/31/73/25/195317325.db2.gz CUHSTHUGSJZPTG-WPRPVWTQSA-N 1 1 320.271 1.399 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)nc1 ZINC000121613588 195317327 /nfs/dbraw/zinc/31/73/27/195317327.db2.gz CUHSTHUGSJZPTG-WPRPVWTQSA-N 1 1 320.271 1.399 20 5 DDBDMO CO[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451565644 533410279 /nfs/dbraw/zinc/41/02/79/533410279.db2.gz LMYGYWPNHWHDKR-IUODEOHRSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451565644 533410282 /nfs/dbraw/zinc/41/02/82/533410282.db2.gz LMYGYWPNHWHDKR-IUODEOHRSA-N 1 1 321.377 1.914 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452063833 533671351 /nfs/dbraw/zinc/67/13/51/533671351.db2.gz CKWOCFPCJRPCEB-BXUZGUMPSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452063833 533671354 /nfs/dbraw/zinc/67/13/54/533671354.db2.gz CKWOCFPCJRPCEB-BXUZGUMPSA-N 1 1 319.361 1.187 20 5 DDBDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000353383568 285698692 /nfs/dbraw/zinc/69/86/92/285698692.db2.gz GBHCRJZVWKOWGW-VIFPVBQESA-N 1 1 304.306 1.950 20 5 DDBDMO COCCC[N@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000189926509 292342488 /nfs/dbraw/zinc/34/24/88/292342488.db2.gz DKUIAEJHVKCSRU-UHFFFAOYSA-N 1 1 316.329 1.573 20 5 DDBDMO COCCC[N@@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000189926509 292342489 /nfs/dbraw/zinc/34/24/89/292342489.db2.gz DKUIAEJHVKCSRU-UHFFFAOYSA-N 1 1 316.329 1.573 20 5 DDBDMO CCC[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000074290041 406908718 /nfs/dbraw/zinc/90/87/18/406908718.db2.gz RZEGDDBKIAYZDO-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440155 407089009 /nfs/dbraw/zinc/08/90/09/407089009.db2.gz QIVXXCWMVNOYLO-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO COCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353708 407183517 /nfs/dbraw/zinc/18/35/17/407183517.db2.gz QPIAMHRCXCSKSH-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO COCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353708 407183520 /nfs/dbraw/zinc/18/35/20/407183520.db2.gz QPIAMHRCXCSKSH-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000066832884 407260030 /nfs/dbraw/zinc/26/00/30/407260030.db2.gz JLMMPGPZUXHHML-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000123247023 407323874 /nfs/dbraw/zinc/32/38/74/407323874.db2.gz WHTUENXVUYFUOZ-RYUDHWBXSA-N 1 1 323.397 1.468 20 5 DDBDMO CCOc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000098072430 407305403 /nfs/dbraw/zinc/30/54/03/407305403.db2.gz FQIMQUYBCXQOAU-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000126047937 407403587 /nfs/dbraw/zinc/40/35/87/407403587.db2.gz GDPPBWZYJCQJLZ-OCCSQVGLSA-N 1 1 320.393 1.805 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000127027912 407426179 /nfs/dbraw/zinc/42/61/79/407426179.db2.gz NISICDHMDTZEGH-UHFFFAOYSA-N 1 1 308.338 1.253 20 5 DDBDMO COC[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000265762648 407442928 /nfs/dbraw/zinc/44/29/28/407442928.db2.gz HISXIZFDRNSJKR-TZMCWYRMSA-N 1 1 310.350 1.303 20 5 DDBDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540034 407550936 /nfs/dbraw/zinc/55/09/36/407550936.db2.gz PRXSKKMKVQBXKL-SWLSCSKDSA-N 1 1 316.361 1.772 20 5 DDBDMO CC[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000152172120 407576775 /nfs/dbraw/zinc/57/67/75/407576775.db2.gz ZDWORJDQPBYLPR-UHFFFAOYSA-N 1 1 309.341 1.877 20 5 DDBDMO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000266216031 407533198 /nfs/dbraw/zinc/53/31/98/407533198.db2.gz OXRYOESIPHCNJY-CYBMUJFWSA-N 1 1 308.382 1.845 20 5 DDBDMO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000266216036 407535317 /nfs/dbraw/zinc/53/53/17/407535317.db2.gz OXRYOESIPHCNJY-ZDUSSCGKSA-N 1 1 308.382 1.845 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000260675610 407536649 /nfs/dbraw/zinc/53/66/49/407536649.db2.gz YBGFALMGHNWEKR-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000260675610 407536655 /nfs/dbraw/zinc/53/66/55/407536655.db2.gz YBGFALMGHNWEKR-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000114140988 407545204 /nfs/dbraw/zinc/54/52/04/407545204.db2.gz JXTPSNHKTDHTHQ-CYBMUJFWSA-N 1 1 320.393 1.208 20 5 DDBDMO Cc1nn(C)c(N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000114709660 407602376 /nfs/dbraw/zinc/60/23/76/407602376.db2.gz QYDNNUDRUGIVBM-UHFFFAOYSA-N 1 1 318.381 1.829 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000178850790 407624454 /nfs/dbraw/zinc/62/44/54/407624454.db2.gz RBIVBPFDJCSFLE-VIFPVBQESA-N 1 1 309.370 1.470 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000267214644 407793954 /nfs/dbraw/zinc/79/39/54/407793954.db2.gz IALYZZVJWWALTP-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272336853 407873670 /nfs/dbraw/zinc/87/36/70/407873670.db2.gz MLXBGIVGXBNKDP-LBPRGKRZSA-N 1 1 313.304 1.897 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268242970 407965618 /nfs/dbraw/zinc/96/56/18/407965618.db2.gz VGABIQLVQBMZAW-MFKMUULPSA-N 1 1 319.361 1.816 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245418488 407972270 /nfs/dbraw/zinc/97/22/70/407972270.db2.gz AVNOIIBWGRTLRJ-RISCZKNCSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245418488 407972279 /nfs/dbraw/zinc/97/22/79/407972279.db2.gz AVNOIIBWGRTLRJ-RISCZKNCSA-N 1 1 307.350 1.493 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177658 407928645 /nfs/dbraw/zinc/92/86/45/407928645.db2.gz KWSHIZRJLPPIEF-XHDPSFHLSA-N 1 1 319.361 1.573 20 5 DDBDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245714591 408048680 /nfs/dbraw/zinc/04/86/80/408048680.db2.gz PWTOXOXDNXDGBV-CABCVRRESA-N 1 1 319.365 1.630 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154158016 407984548 /nfs/dbraw/zinc/98/45/48/407984548.db2.gz HASUCRIQGLQWSF-AWEZNQCLSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154158016 407984553 /nfs/dbraw/zinc/98/45/53/407984553.db2.gz HASUCRIQGLQWSF-AWEZNQCLSA-N 1 1 322.361 1.589 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154862961 408098397 /nfs/dbraw/zinc/09/83/97/408098397.db2.gz MPIRBIBVYGPGJR-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136806011 408127633 /nfs/dbraw/zinc/12/76/33/408127633.db2.gz UIODTKGWPISSPQ-ZFWWWQNUSA-N 1 1 322.361 1.903 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000190218575 408191065 /nfs/dbraw/zinc/19/10/65/408191065.db2.gz LKMBQJHCUNNYIW-UHFFFAOYSA-N 1 1 307.350 1.690 20 5 DDBDMO C[NH+]1CCC(N2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000273614532 408265407 /nfs/dbraw/zinc/26/54/07/408265407.db2.gz MYCPTWQBGJMPIR-UHFFFAOYSA-N 1 1 320.397 1.355 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221223 408315637 /nfs/dbraw/zinc/31/56/37/408315637.db2.gz SHWWDMWFIMONNO-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000246739043 408330044 /nfs/dbraw/zinc/33/00/44/408330044.db2.gz AWLGLJXJMURAHC-GOEBONIOSA-N 1 1 322.361 1.447 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000269445295 408313367 /nfs/dbraw/zinc/31/33/67/408313367.db2.gz QIKWCFCULXJNDL-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000274244932 408340211 /nfs/dbraw/zinc/34/02/11/408340211.db2.gz SNWGRWSVIZJDAK-XJKSGUPXSA-N 1 1 323.393 1.281 20 5 DDBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(N)=O ZINC000133965602 162068792 /nfs/dbraw/zinc/06/87/92/162068792.db2.gz MSTNSHNZWVGMCC-AWEZNQCLSA-N 1 1 308.338 1.085 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000246844236 408352830 /nfs/dbraw/zinc/35/28/30/408352830.db2.gz UMHLTFHMGWLTJB-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000246844236 408352833 /nfs/dbraw/zinc/35/28/33/408352833.db2.gz UMHLTFHMGWLTJB-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000246977515 408378920 /nfs/dbraw/zinc/37/89/20/408378920.db2.gz GFTGUXUIHIDTMX-DGCLKSJQSA-N 1 1 309.370 1.026 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274548927 408445718 /nfs/dbraw/zinc/44/57/18/408445718.db2.gz WQFMCJIZVLXLEM-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000183625345 408458883 /nfs/dbraw/zinc/45/88/83/408458883.db2.gz JUAJWOTUOXLHAJ-UHFFFAOYSA-N 1 1 307.306 1.101 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000159446022 408408667 /nfs/dbraw/zinc/40/86/67/408408667.db2.gz JEZKNLTWQLCCKI-ZJUUUORDSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000159446022 408408673 /nfs/dbraw/zinc/40/86/73/408408673.db2.gz JEZKNLTWQLCCKI-ZJUUUORDSA-N 1 1 311.338 1.243 20 5 DDBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264286479 408427769 /nfs/dbraw/zinc/42/77/69/408427769.db2.gz KTPNOWVTIIACPO-LBPRGKRZSA-N 1 1 314.345 1.996 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000191482970 408431240 /nfs/dbraw/zinc/43/12/40/408431240.db2.gz BEMCXCLUPRJUKH-LBPRGKRZSA-N 1 1 321.377 1.983 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410912 408480020 /nfs/dbraw/zinc/48/00/20/408480020.db2.gz JNOAHRHTJIKRKO-GXFFZTMASA-N 1 1 307.350 1.429 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)C2CCOCC2)cc1 ZINC000275639882 408630223 /nfs/dbraw/zinc/63/02/23/408630223.db2.gz WBVGJPLEMFVSEY-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO CC[N@@H+](CCO)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000184548209 408639574 /nfs/dbraw/zinc/63/95/74/408639574.db2.gz QEFMCFITFSTFMP-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO CCN(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184548209 408639581 /nfs/dbraw/zinc/63/95/81/408639581.db2.gz QEFMCFITFSTFMP-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)C1CCC1 ZINC000275920613 408719217 /nfs/dbraw/zinc/71/92/17/408719217.db2.gz ZHBWHZMZGCSSFV-CYBMUJFWSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000290814700 408838038 /nfs/dbraw/zinc/83/80/38/408838038.db2.gz RQZRQIRZHWGZRH-PWSUYJOCSA-N 1 1 321.381 1.255 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000285773570 408861184 /nfs/dbraw/zinc/86/11/84/408861184.db2.gz MQKZKYSPAZBLLD-NEPJUHHUSA-N 1 1 320.349 1.072 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000285773570 408861187 /nfs/dbraw/zinc/86/11/87/408861187.db2.gz MQKZKYSPAZBLLD-NEPJUHHUSA-N 1 1 320.349 1.072 20 5 DDBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166586 408936240 /nfs/dbraw/zinc/93/62/40/408936240.db2.gz WOIPALXJXAUSHJ-UONOGXRCSA-N 1 1 323.393 1.772 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277620272 408978860 /nfs/dbraw/zinc/97/88/60/408978860.db2.gz QWLUVAZLLRKAGJ-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000277638662 408982461 /nfs/dbraw/zinc/98/24/61/408982461.db2.gz TUHZCGDKHVQUOJ-YGRLFVJLSA-N 1 1 319.361 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](O)CC3)o2)cc1 ZINC000293297474 409084466 /nfs/dbraw/zinc/08/44/66/409084466.db2.gz WJBACZZEXZKRIP-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](O)CC3)o2)cc1 ZINC000293297474 409084469 /nfs/dbraw/zinc/08/44/69/409084469.db2.gz WJBACZZEXZKRIP-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@H]1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000279165401 409161832 /nfs/dbraw/zinc/16/18/32/409161832.db2.gz IQFZFLPGDNRFQS-STQMWFEESA-N 1 1 320.393 1.853 20 5 DDBDMO COc1cc(C[NH2+]Cc2cc(C)nn2C)c([N+](=O)[O-])cc1OC ZINC000283812839 409220775 /nfs/dbraw/zinc/22/07/75/409220775.db2.gz DEXIQWQEKJDPCD-UHFFFAOYSA-N 1 1 320.349 1.944 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000280403913 409308091 /nfs/dbraw/zinc/30/80/91/409308091.db2.gz HHLRFXONAIUMRH-AWEZNQCLSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000280403913 409308093 /nfs/dbraw/zinc/30/80/93/409308093.db2.gz HHLRFXONAIUMRH-AWEZNQCLSA-N 1 1 310.350 1.815 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284321180 409318236 /nfs/dbraw/zinc/31/82/36/409318236.db2.gz HXTDCEBXPSSCSQ-UHFFFAOYSA-N 1 1 312.345 1.778 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C1CC1)C1COC1 ZINC000295536799 409336206 /nfs/dbraw/zinc/33/62/06/409336206.db2.gz VXCNETRKAAHLQA-CYBMUJFWSA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C1CC1)C1COC1 ZINC000295536799 409336211 /nfs/dbraw/zinc/33/62/11/409336211.db2.gz VXCNETRKAAHLQA-CYBMUJFWSA-N 1 1 308.334 1.198 20 5 DDBDMO C[N@@H+](CCCN1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000285203258 409402869 /nfs/dbraw/zinc/40/28/69/409402869.db2.gz DCXRDXVZNIWGGI-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO COc1ccc(OCC[N@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC000295395694 409466777 /nfs/dbraw/zinc/46/67/77/409466777.db2.gz LNTIAGXDTBRZBD-UHFFFAOYSA-N 1 1 308.334 1.845 20 5 DDBDMO COc1ccc(OCC[N@@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC000295395694 409466779 /nfs/dbraw/zinc/46/67/79/409466779.db2.gz LNTIAGXDTBRZBD-UHFFFAOYSA-N 1 1 308.334 1.845 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408156402 164245360 /nfs/dbraw/zinc/24/53/60/164245360.db2.gz ZJLFGGFCYWXNAQ-RYUDHWBXSA-N 1 1 321.381 1.222 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[N@H+](C)C1 ZINC000331658521 409742851 /nfs/dbraw/zinc/74/28/51/409742851.db2.gz WTUPUCLPOKJBGJ-JSGCOSHPSA-N 1 1 305.334 1.203 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[N@@H+](C)C1 ZINC000331658521 409742855 /nfs/dbraw/zinc/74/28/55/409742855.db2.gz WTUPUCLPOKJBGJ-JSGCOSHPSA-N 1 1 305.334 1.203 20 5 DDBDMO C[N@@H+](CC[C@H]1CCCO1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609863 409762648 /nfs/dbraw/zinc/76/26/48/409762648.db2.gz WGULFFXXYIXQOS-LSDHHAIUSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000354670548 410005254 /nfs/dbraw/zinc/00/52/54/410005254.db2.gz CESUBINIRMRZJW-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000343066372 410116320 /nfs/dbraw/zinc/11/63/20/410116320.db2.gz FKWORRPFEYYIDH-VXGBXAGGSA-N 1 1 309.370 1.170 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000355043804 410262109 /nfs/dbraw/zinc/26/21/09/410262109.db2.gz SNXIWNUJOQSTQZ-CMPLNLGQSA-N 1 1 324.333 1.102 20 5 DDBDMO COc1ccc(OCCN2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847587 410284441 /nfs/dbraw/zinc/28/44/41/410284441.db2.gz AQPRIDCYSKHMQV-NEPJUHHUSA-N 1 1 309.366 1.651 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000347103798 410347049 /nfs/dbraw/zinc/34/70/49/410347049.db2.gz ANLLGQKMAGKKBF-MRVPVSSYSA-N 1 1 315.293 1.305 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000352013313 410413428 /nfs/dbraw/zinc/41/34/28/410413428.db2.gz IPRQUWYDWRMPJD-MNOVXSKESA-N 1 1 309.370 1.041 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343462141 410471610 /nfs/dbraw/zinc/47/16/10/410471610.db2.gz SVSKYJSTVGPQLM-CMPLNLGQSA-N 1 1 307.350 1.816 20 5 DDBDMO CCOCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339742047 410430036 /nfs/dbraw/zinc/43/00/36/410430036.db2.gz YGIHUISJUOFYQT-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000358295505 410441846 /nfs/dbraw/zinc/44/18/46/410441846.db2.gz BRBMLXOIMXDKGO-CYBMUJFWSA-N 1 1 317.292 1.675 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000343645196 410592326 /nfs/dbraw/zinc/59/23/26/410592326.db2.gz TVCUNPWHGGQQOE-LLVKDONJSA-N 1 1 309.370 1.415 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352201193 410544799 /nfs/dbraw/zinc/54/47/99/410544799.db2.gz DTBGCEAGJXVXBV-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352201193 410544804 /nfs/dbraw/zinc/54/48/04/410544804.db2.gz DTBGCEAGJXVXBV-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000301301642 410696001 /nfs/dbraw/zinc/69/60/01/410696001.db2.gz RKKUVLFDLJKLEJ-CYBMUJFWSA-N 1 1 305.382 1.206 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310863 410707392 /nfs/dbraw/zinc/70/73/92/410707392.db2.gz BOQVATCONKFUIF-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310863 410707397 /nfs/dbraw/zinc/70/73/97/410707397.db2.gz BOQVATCONKFUIF-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310863 410707401 /nfs/dbraw/zinc/70/74/01/410707401.db2.gz BOQVATCONKFUIF-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533381 410714950 /nfs/dbraw/zinc/71/49/50/410714950.db2.gz AFCSYKBEFBUAQV-NXEZZACHSA-N 1 1 321.337 1.770 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000330419126 410678984 /nfs/dbraw/zinc/67/89/84/410678984.db2.gz CFSONBMJNZMYLS-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000330419126 410678988 /nfs/dbraw/zinc/67/89/88/410678988.db2.gz CFSONBMJNZMYLS-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000301692307 410774032 /nfs/dbraw/zinc/77/40/32/410774032.db2.gz ZDGNQSLMJRHHPY-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000337427430 410777445 /nfs/dbraw/zinc/77/74/45/410777445.db2.gz SWWNABANKIRICT-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343851573 410748325 /nfs/dbraw/zinc/74/83/25/410748325.db2.gz DMPRQEQLFFAHNJ-GXTWGEPZSA-N 1 1 320.393 1.919 20 5 DDBDMO CCc1nn(C)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000301928576 410834226 /nfs/dbraw/zinc/83/42/26/410834226.db2.gz ITWBEZSZLFXIID-WCQYABFASA-N 1 1 307.398 1.811 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344032847 410909337 /nfs/dbraw/zinc/90/93/37/410909337.db2.gz DXYADTZBPRABOV-BAESOJJISA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344064104 410931504 /nfs/dbraw/zinc/93/15/04/410931504.db2.gz OSNAMWMAWKDLEC-NWJSVONSSA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344064104 410931508 /nfs/dbraw/zinc/93/15/08/410931508.db2.gz OSNAMWMAWKDLEC-NWJSVONSSA-N 1 1 319.361 1.625 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331300874 411066164 /nfs/dbraw/zinc/06/61/64/411066164.db2.gz QZAUCAPYJLHYBQ-UHFFFAOYSA-N 1 1 323.397 1.732 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000331216403 411022479 /nfs/dbraw/zinc/02/24/79/411022479.db2.gz VVYBLNLRTWBHDE-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000331216403 411022482 /nfs/dbraw/zinc/02/24/82/411022482.db2.gz VVYBLNLRTWBHDE-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000344215504 411032703 /nfs/dbraw/zinc/03/27/03/411032703.db2.gz KVGSQMLKHXEROH-NXEZZACHSA-N 1 1 317.349 2.140 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366332969 418459444 /nfs/dbraw/zinc/45/94/44/418459444.db2.gz PNBADEOIFUWTCF-ADEWGFFLSA-N 1 1 303.318 1.250 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000360740318 418504110 /nfs/dbraw/zinc/50/41/10/418504110.db2.gz VZUDDLHQLRPBNV-WDEREUQCSA-N 1 1 309.370 1.131 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374836177 418567862 /nfs/dbraw/zinc/56/78/62/418567862.db2.gz ZICQNKHAXYJCMX-VHSXEESVSA-N 1 1 322.340 1.673 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000195164490 418553613 /nfs/dbraw/zinc/55/36/13/418553613.db2.gz NNGRMPWPDSSFNE-UHFFFAOYSA-N 1 1 310.329 1.310 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000360961829 418556617 /nfs/dbraw/zinc/55/66/17/418556617.db2.gz VHYOHPKWMADHFJ-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375036892 418593118 /nfs/dbraw/zinc/59/31/18/418593118.db2.gz IJGGVTLPBJRZJV-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341798428 418626043 /nfs/dbraw/zinc/62/60/43/418626043.db2.gz KYDVACWGURZCKD-TUAOUCFPSA-N 1 1 320.397 1.809 20 5 DDBDMO CO[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361355985 418632971 /nfs/dbraw/zinc/63/29/71/418632971.db2.gz KHLMITUNAQEBIN-LBPRGKRZSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361355985 418632972 /nfs/dbraw/zinc/63/29/72/418632972.db2.gz KHLMITUNAQEBIN-LBPRGKRZSA-N 1 1 304.306 1.866 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000368238172 418708554 /nfs/dbraw/zinc/70/85/54/418708554.db2.gz BLLGAWVFIYEJSD-CMPLNLGQSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000368238172 418708556 /nfs/dbraw/zinc/70/85/56/418708556.db2.gz BLLGAWVFIYEJSD-CMPLNLGQSA-N 1 1 309.753 1.816 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364933276 418825445 /nfs/dbraw/zinc/82/54/45/418825445.db2.gz MCAKHAHZJYAURR-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CC1(CNC(=O)[C@H]2CC2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564747 418876424 /nfs/dbraw/zinc/87/64/24/418876424.db2.gz NQUKJWWCAIJFKQ-UONOGXRCSA-N 1 1 303.362 1.290 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840209 418907699 /nfs/dbraw/zinc/90/76/99/418907699.db2.gz VWHYNTQPSQAING-IACUBPJLSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840209 418907702 /nfs/dbraw/zinc/90/77/02/418907702.db2.gz VWHYNTQPSQAING-IACUBPJLSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840209 418907705 /nfs/dbraw/zinc/90/77/05/418907705.db2.gz VWHYNTQPSQAING-IACUBPJLSA-N 1 1 307.394 1.375 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372933797 418914510 /nfs/dbraw/zinc/91/45/10/418914510.db2.gz QQRQIOYPVFIMLG-LSDHHAIUSA-N 1 1 319.361 1.266 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372933796 418914575 /nfs/dbraw/zinc/91/45/75/418914575.db2.gz QQRQIOYPVFIMLG-HUUCEWRRSA-N 1 1 319.361 1.266 20 5 DDBDMO CN1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000365852762 418916147 /nfs/dbraw/zinc/91/61/47/418916147.db2.gz XVZKOPSXLIVMEK-CYBMUJFWSA-N 1 1 320.349 1.025 20 5 DDBDMO CN1C[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000365852762 418916148 /nfs/dbraw/zinc/91/61/48/418916148.db2.gz XVZKOPSXLIVMEK-CYBMUJFWSA-N 1 1 320.349 1.025 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3CCO)n2)cc1 ZINC000426225412 419409538 /nfs/dbraw/zinc/40/95/38/419409538.db2.gz FBRYOVKMNVMLIP-LBPRGKRZSA-N 1 1 318.333 1.992 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000420943304 419374022 /nfs/dbraw/zinc/37/40/22/419374022.db2.gz POQPOECQNYKBRA-STQMWFEESA-N 1 1 324.377 1.933 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954655 419385581 /nfs/dbraw/zinc/38/55/81/419385581.db2.gz ZPLPEHVUYXORML-QWRGUYRKSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954655 419385585 /nfs/dbraw/zinc/38/55/85/419385585.db2.gz ZPLPEHVUYXORML-QWRGUYRKSA-N 1 1 304.350 1.921 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411938079 419507180 /nfs/dbraw/zinc/50/71/80/419507180.db2.gz JOCWHSLPFUPVNQ-GJZGRUSLSA-N 1 1 302.334 1.599 20 5 DDBDMO CNC(=O)NC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000412056873 419602371 /nfs/dbraw/zinc/60/23/71/419602371.db2.gz VJEKQYXDZXPSGM-UHFFFAOYSA-N 1 1 322.365 1.497 20 5 DDBDMO C[C@@H](O)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103855 419663638 /nfs/dbraw/zinc/66/36/38/419663638.db2.gz ZKUCPNWBEXUSAX-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](O)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103855 419663644 /nfs/dbraw/zinc/66/36/44/419663644.db2.gz ZKUCPNWBEXUSAX-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(N)=O ZINC000428855622 419941307 /nfs/dbraw/zinc/94/13/07/419941307.db2.gz HICHYZIFRZTDMR-GXFFZTMASA-N 1 1 317.349 1.076 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430787131 420190331 /nfs/dbraw/zinc/19/03/31/420190331.db2.gz FFLGINURLBHFHV-OCCSQVGLSA-N 1 1 321.377 1.881 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416291928 420310586 /nfs/dbraw/zinc/31/05/86/420310586.db2.gz IFTBUKDPRHEWEQ-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416291928 420310587 /nfs/dbraw/zinc/31/05/87/420310587.db2.gz IFTBUKDPRHEWEQ-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO COC(=O)c1cc(C)nc(N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420638582 420338260 /nfs/dbraw/zinc/33/82/60/420338260.db2.gz QQAWEXXOKDCXHM-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769101 421060160 /nfs/dbraw/zinc/06/01/60/421060160.db2.gz YUSJAPJMERAGML-ZJUUUORDSA-N 1 1 307.354 1.244 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456026295 421091099 /nfs/dbraw/zinc/09/10/99/421091099.db2.gz WZIYGHJULSACPS-NXEZZACHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456026295 421091103 /nfs/dbraw/zinc/09/11/03/421091103.db2.gz WZIYGHJULSACPS-NXEZZACHSA-N 1 1 307.354 1.196 20 5 DDBDMO NC(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489939526 421180995 /nfs/dbraw/zinc/18/09/95/421180995.db2.gz OYBBAMSOUOWQAV-SNVBAGLBSA-N 1 1 301.306 1.317 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000527119523 421357379 /nfs/dbraw/zinc/35/73/79/421357379.db2.gz DORSLBRVMKISFR-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000527119523 421357382 /nfs/dbraw/zinc/35/73/82/421357382.db2.gz DORSLBRVMKISFR-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000548739583 421469403 /nfs/dbraw/zinc/46/94/03/421469403.db2.gz JJZNFXTYRBAOAV-PHIMTYICSA-N 1 1 323.397 1.804 20 5 DDBDMO CC(C)(O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000531416300 421633753 /nfs/dbraw/zinc/63/37/53/421633753.db2.gz ALYISWCLRQBIHA-UHFFFAOYSA-N 1 1 312.370 1.043 20 5 DDBDMO COc1ccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000571577280 421727948 /nfs/dbraw/zinc/72/79/48/421727948.db2.gz JTEHJVNBWYISEM-CYBMUJFWSA-N 1 1 309.366 1.148 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000520549487 421755707 /nfs/dbraw/zinc/75/57/07/421755707.db2.gz ZPUBNDCFEJRYNU-UHFFFAOYSA-N 1 1 321.333 1.538 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000542651509 421826135 /nfs/dbraw/zinc/82/61/35/421826135.db2.gz GJAKEZXNICBHNP-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO CN(C)C(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000574627811 422144297 /nfs/dbraw/zinc/14/42/97/422144297.db2.gz AWAUWAKPNDIPSF-LBPRGKRZSA-N 1 1 321.381 1.344 20 5 DDBDMO CC(=O)NCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000578010672 422476338 /nfs/dbraw/zinc/47/63/38/422476338.db2.gz YEIYOTLCJAGHTF-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000342706710 271483431 /nfs/dbraw/zinc/48/34/31/271483431.db2.gz ROVWMGGYPISMEF-YPMHNXCESA-N 1 1 318.377 1.614 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cs1 ZINC000344355424 272005850 /nfs/dbraw/zinc/00/58/50/272005850.db2.gz LKXVUDZUWLBNLF-JTQLQIEISA-N 1 1 304.393 1.713 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345282719 272208345 /nfs/dbraw/zinc/20/83/45/272208345.db2.gz GQZPHLHXPBGOES-NXEZZACHSA-N 1 1 309.370 1.483 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000347479195 272703729 /nfs/dbraw/zinc/70/37/29/272703729.db2.gz RUFGDDGNJQTUAN-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO COC(=O)Cc1ccc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294851141 277331393 /nfs/dbraw/zinc/33/13/93/277331393.db2.gz CCSMJWSZMGLKRO-TXEJJXNPSA-N 1 1 321.377 1.839 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[N@H+]1C ZINC000421002728 279237235 /nfs/dbraw/zinc/23/72/35/279237235.db2.gz MOXRGLXWLLBSRP-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCC1 ZINC000089898545 281027108 /nfs/dbraw/zinc/02/71/08/281027108.db2.gz FUZURQWGMOLQIL-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCC1 ZINC000089898545 281027111 /nfs/dbraw/zinc/02/71/11/281027111.db2.gz FUZURQWGMOLQIL-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125231033 281204637 /nfs/dbraw/zinc/20/46/37/281204637.db2.gz TUCRKFAXGKSFBY-IVMMDQJWSA-N 1 1 324.377 1.427 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362072582 300000444 /nfs/dbraw/zinc/00/04/44/300000444.db2.gz OVIGEHNKKJIUOL-GHMZBOCLSA-N 1 1 323.349 1.102 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362072582 300000446 /nfs/dbraw/zinc/00/04/46/300000446.db2.gz OVIGEHNKKJIUOL-GHMZBOCLSA-N 1 1 323.349 1.102 20 5 DDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000363451146 300269582 /nfs/dbraw/zinc/26/95/82/300269582.db2.gz WQPIUXHIKXQXOO-GFCCVEGCSA-N 1 1 318.381 1.924 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364208657 300357174 /nfs/dbraw/zinc/35/71/74/300357174.db2.gz CZGCCGFTJMGHDQ-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422064 301024952 /nfs/dbraw/zinc/02/49/52/301024952.db2.gz KGZPAKLKQORXRQ-RYUDHWBXSA-N 1 1 302.338 1.979 20 5 DDBDMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422064 301024954 /nfs/dbraw/zinc/02/49/54/301024954.db2.gz KGZPAKLKQORXRQ-RYUDHWBXSA-N 1 1 302.338 1.979 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000369136220 301135725 /nfs/dbraw/zinc/13/57/25/301135725.db2.gz ARLBGOKATIXBSH-SNVBAGLBSA-N 1 1 321.381 1.627 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c1C ZINC000054371024 301429368 /nfs/dbraw/zinc/42/93/68/301429368.db2.gz JDOUVIPPSLRPDB-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000377058245 302138977 /nfs/dbraw/zinc/13/89/77/302138977.db2.gz VKAYDHXURRATFT-WDEREUQCSA-N 1 1 306.322 1.052 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641906 302360134 /nfs/dbraw/zinc/36/01/34/302360134.db2.gz XMMALNVQKMATHG-NWDGAFQWSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641906 302360135 /nfs/dbraw/zinc/36/01/35/302360135.db2.gz XMMALNVQKMATHG-NWDGAFQWSA-N 1 1 307.350 1.484 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000531887977 303263790 /nfs/dbraw/zinc/26/37/90/303263790.db2.gz PSWVLFGVKFEDDW-GFCCVEGCSA-N 1 1 304.306 1.616 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143142 303277122 /nfs/dbraw/zinc/27/71/22/303277122.db2.gz ILDQSLNUEIAVRC-GFCCVEGCSA-N 1 1 306.366 1.936 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000533129075 303311234 /nfs/dbraw/zinc/31/12/34/303311234.db2.gz WUZALUKHSIKQRN-JTQLQIEISA-N 1 1 316.379 1.516 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000362090445 307013993 /nfs/dbraw/zinc/01/39/93/307013993.db2.gz NHQPITCKCCIFJK-AAEUAGOBSA-N 1 1 319.361 1.044 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362254293 307015642 /nfs/dbraw/zinc/01/56/42/307015642.db2.gz ZFTWMTJZXLPMRR-LBPRGKRZSA-N 1 1 308.382 1.737 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364894536 307052830 /nfs/dbraw/zinc/05/28/30/307052830.db2.gz KJRYQMPIIXWBNE-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO Cc1ccn(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000364895767 307052893 /nfs/dbraw/zinc/05/28/93/307052893.db2.gz NRFNSMNSZQUIAU-UHFFFAOYSA-N 1 1 304.354 1.670 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365078312 307057931 /nfs/dbraw/zinc/05/79/31/307057931.db2.gz STZDXCWYRUIEIG-ZWNOBZJWSA-N 1 1 320.349 1.307 20 5 DDBDMO CC(=O)c1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000367450000 307093935 /nfs/dbraw/zinc/09/39/35/307093935.db2.gz GEAGKCHGIABNAW-LBPRGKRZSA-N 1 1 321.377 1.690 20 5 DDBDMO Nc1c(C(=O)NCc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000367641412 307099993 /nfs/dbraw/zinc/09/99/93/307099993.db2.gz FQMOMWBQMQXDFT-UHFFFAOYSA-N 1 1 315.333 1.640 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000368881836 307112312 /nfs/dbraw/zinc/11/23/12/307112312.db2.gz IIJUCQDAIUJYCL-UHFFFAOYSA-N 1 1 318.377 1.758 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CN1 ZINC000369483124 307121434 /nfs/dbraw/zinc/12/14/34/307121434.db2.gz GLICAXYPFYNNRM-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CN1 ZINC000369483124 307121435 /nfs/dbraw/zinc/12/14/35/307121435.db2.gz GLICAXYPFYNNRM-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373973973 307198893 /nfs/dbraw/zinc/19/88/93/307198893.db2.gz CLLMSHQCONJHFL-XEGUGMAKSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373973973 307198894 /nfs/dbraw/zinc/19/88/94/307198894.db2.gz CLLMSHQCONJHFL-XEGUGMAKSA-N 1 1 319.361 1.689 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000378474493 307288791 /nfs/dbraw/zinc/28/87/91/307288791.db2.gz RBEOYIPRHRRNOW-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO CC1(C)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000434696157 307304458 /nfs/dbraw/zinc/30/44/58/307304458.db2.gz XBGHLPRKAPFRHF-LBPRGKRZSA-N 1 1 314.411 1.370 20 5 DDBDMO O=C1OCCN1C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000496780942 307360909 /nfs/dbraw/zinc/36/09/09/307360909.db2.gz IQYMWXYBLBBDID-AWEZNQCLSA-N 1 1 319.361 1.911 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571041529 308189626 /nfs/dbraw/zinc/18/96/26/308189626.db2.gz UFEJHOBSSLRPLH-LBPRGKRZSA-N 1 1 320.393 1.371 20 5 DDBDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361707 332353745 /nfs/dbraw/zinc/35/37/45/332353745.db2.gz PNXLTCHCCYVXKF-OCCSQVGLSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361707 332353746 /nfs/dbraw/zinc/35/37/46/332353746.db2.gz PNXLTCHCCYVXKF-OCCSQVGLSA-N 1 1 324.377 1.365 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451634546 534298627 /nfs/dbraw/zinc/29/86/27/534298627.db2.gz RQCMMHGSWHRGIR-TYNCELHUSA-N 1 1 318.377 1.558 20 5 DDBDMO CC(C)C(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330999371 527527574 /nfs/dbraw/zinc/52/75/74/527527574.db2.gz NJOPKJWRSPZUAD-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000330999371 527527581 /nfs/dbraw/zinc/52/75/81/527527581.db2.gz NJOPKJWRSPZUAD-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444643263 527820003 /nfs/dbraw/zinc/82/00/03/527820003.db2.gz YRJGMKAFYDDTGT-UHFFFAOYSA-N 1 1 305.338 1.429 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000292360272 527900951 /nfs/dbraw/zinc/90/09/51/527900951.db2.gz XYVYYICFYUNISA-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000444174250 528513313 /nfs/dbraw/zinc/51/33/13/528513313.db2.gz GIOUWSKVOHPOEV-UHFFFAOYSA-N 1 1 315.395 1.603 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000490293376 528721951 /nfs/dbraw/zinc/72/19/51/528721951.db2.gz NPDLXRYBCATRJW-HNNXBMFYSA-N 1 1 320.393 1.805 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797415227 700008252 /nfs/dbraw/zinc/00/82/52/700008252.db2.gz SSYYQQVFUSXVGU-HNNXBMFYSA-N 1 1 317.349 1.360 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(C(N)=O)c1 ZINC000746663627 700035549 /nfs/dbraw/zinc/03/55/49/700035549.db2.gz TVDPYSNPGOEGON-UHFFFAOYSA-N 1 1 303.322 1.022 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964242 696378805 /nfs/dbraw/zinc/37/88/05/696378805.db2.gz UJZCOFAZXRSHMP-STQMWFEESA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964242 696378806 /nfs/dbraw/zinc/37/88/06/696378806.db2.gz UJZCOFAZXRSHMP-STQMWFEESA-N 1 1 323.397 1.766 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000151983835 696893299 /nfs/dbraw/zinc/89/32/99/696893299.db2.gz OCHWVYLDKPGKCE-UHFFFAOYSA-N 1 1 306.322 1.787 20 5 DDBDMO COc1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000748494025 700121742 /nfs/dbraw/zinc/12/17/42/700121742.db2.gz GGFZTJYRDQJYEV-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981138004 697015711 /nfs/dbraw/zinc/01/57/11/697015711.db2.gz KNROTTZZSCRCFH-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981138004 697015712 /nfs/dbraw/zinc/01/57/12/697015712.db2.gz KNROTTZZSCRCFH-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981138004 697015716 /nfs/dbraw/zinc/01/57/16/697015716.db2.gz KNROTTZZSCRCFH-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278623 697082016 /nfs/dbraw/zinc/08/20/16/697082016.db2.gz LXVFFTZWPWGUEJ-XOUADPBQSA-N 1 1 309.410 1.478 20 5 DDBDMO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278623 697082019 /nfs/dbraw/zinc/08/20/19/697082019.db2.gz LXVFFTZWPWGUEJ-XOUADPBQSA-N 1 1 309.410 1.478 20 5 DDBDMO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278623 697082021 /nfs/dbraw/zinc/08/20/21/697082021.db2.gz LXVFFTZWPWGUEJ-XOUADPBQSA-N 1 1 309.410 1.478 20 5 DDBDMO Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983649845 697286499 /nfs/dbraw/zinc/28/64/99/697286499.db2.gz SRUAKYHHLJQYLC-RGCMKSIDSA-N 1 1 318.377 1.040 20 5 DDBDMO CCCNC(=O)C[N@H+](CCC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579869 698120407 /nfs/dbraw/zinc/12/04/07/698120407.db2.gz PAFXLQSBDZICOM-OAHLLOKOSA-N 1 1 323.393 1.866 20 5 DDBDMO CCCNC(=O)C[N@@H+](CCC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579869 698120409 /nfs/dbraw/zinc/12/04/09/698120409.db2.gz PAFXLQSBDZICOM-OAHLLOKOSA-N 1 1 323.393 1.866 20 5 DDBDMO C[N@@H+](CCN1CCCC1=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581998 698120949 /nfs/dbraw/zinc/12/09/49/698120949.db2.gz LHMCJNPEEMDIHA-CQSZACIVSA-N 1 1 307.350 1.182 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000742239767 699868940 /nfs/dbraw/zinc/86/89/40/699868940.db2.gz HDANIGSDQGSUQR-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801934920 700357184 /nfs/dbraw/zinc/35/71/84/700357184.db2.gz SSQPQBGYBXLIFK-ZJUUUORDSA-N 1 1 324.356 1.871 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCOC[C@@H]4C3)sc2c1 ZINC000754080379 700481579 /nfs/dbraw/zinc/48/15/79/700481579.db2.gz DNHUYZYOTBXRAY-NSHDSACASA-N 1 1 320.374 1.725 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCOC[C@@H]4C3)sc2c1 ZINC000754080379 700481580 /nfs/dbraw/zinc/48/15/80/700481580.db2.gz DNHUYZYOTBXRAY-NSHDSACASA-N 1 1 320.374 1.725 20 5 DDBDMO O=C1O[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CC2 ZINC000763760042 700948102 /nfs/dbraw/zinc/94/81/02/700948102.db2.gz LSUJLBFMUFQGFQ-GFCCVEGCSA-N 1 1 303.318 1.444 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CC2 ZINC000763760042 700948104 /nfs/dbraw/zinc/94/81/04/700948104.db2.gz LSUJLBFMUFQGFQ-GFCCVEGCSA-N 1 1 303.318 1.444 20 5 DDBDMO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000866068641 706609794 /nfs/dbraw/zinc/60/97/94/706609794.db2.gz USDYQXYNGYMQJF-LBPRGKRZSA-N 1 1 309.341 1.829 20 5 DDBDMO CCOCCN(CC)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867955044 701851786 /nfs/dbraw/zinc/85/17/86/701851786.db2.gz VYBVAWXFPWFROS-HNNXBMFYSA-N 1 1 309.366 1.654 20 5 DDBDMO CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000867970200 701863172 /nfs/dbraw/zinc/86/31/72/701863172.db2.gz XLXMFFWTIXRHSW-TZMCWYRMSA-N 1 1 309.391 1.733 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866204650 706648052 /nfs/dbraw/zinc/64/80/52/706648052.db2.gz FMUURESLXBONGC-BXUZGUMPSA-N 1 1 318.377 1.485 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866206014 706648490 /nfs/dbraw/zinc/64/84/90/706648490.db2.gz ICIDIQGBTCXJBY-NWDGAFQWSA-N 1 1 301.350 1.773 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000840993563 702304733 /nfs/dbraw/zinc/30/47/33/702304733.db2.gz CDGQTUDCUGMLFL-JTQLQIEISA-N 1 1 306.278 1.598 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cc1 ZINC000842568849 702734325 /nfs/dbraw/zinc/73/43/25/702734325.db2.gz CMIRGVHUQSBACW-LBPRGKRZSA-N 1 1 304.306 1.913 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000843488043 702891598 /nfs/dbraw/zinc/89/15/98/702891598.db2.gz WLUNOSIOCVDWRN-AWEZNQCLSA-N 1 1 313.304 1.816 20 5 DDBDMO CC(C)[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847784447 703466198 /nfs/dbraw/zinc/46/61/98/703466198.db2.gz SEVXRJPGRNOCEW-ZDUSSCGKSA-N 1 1 324.381 1.882 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852431658 704044787 /nfs/dbraw/zinc/04/47/87/704044787.db2.gz JHGUHQFHJGPZCJ-ZDUSSCGKSA-N 1 1 305.334 1.930 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000852495439 704062441 /nfs/dbraw/zinc/06/24/41/704062441.db2.gz KXFFXVZGFSMXHA-SNPRPXQTSA-N 1 1 319.361 1.229 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701694 704102691 /nfs/dbraw/zinc/10/26/91/704102691.db2.gz DXFSUVZJJPASQZ-IINYFYTJSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701694 704102692 /nfs/dbraw/zinc/10/26/92/704102692.db2.gz DXFSUVZJJPASQZ-IINYFYTJSA-N 1 1 309.322 1.953 20 5 DDBDMO COc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000853477817 704246237 /nfs/dbraw/zinc/24/62/37/704246237.db2.gz ZQYBYVCPHOPBKW-LBPRGKRZSA-N 1 1 307.350 1.433 20 5 DDBDMO COc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000853477817 704246239 /nfs/dbraw/zinc/24/62/39/704246239.db2.gz ZQYBYVCPHOPBKW-LBPRGKRZSA-N 1 1 307.350 1.433 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000821030225 704361746 /nfs/dbraw/zinc/36/17/46/704361746.db2.gz CPCSHHBHTPMPND-OAHLLOKOSA-N 1 1 321.381 1.044 20 5 DDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000854589931 704423181 /nfs/dbraw/zinc/42/31/81/704423181.db2.gz IREWPDDVRAMBTR-UHFFFAOYSA-N 1 1 323.324 1.138 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163133 704471605 /nfs/dbraw/zinc/47/16/05/704471605.db2.gz SYCVAGYSIKKEFR-ZIAGYGMSSA-N 1 1 321.377 1.617 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163132 704471614 /nfs/dbraw/zinc/47/16/14/704471614.db2.gz SYCVAGYSIKKEFR-UONOGXRCSA-N 1 1 321.377 1.617 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874444554 705068635 /nfs/dbraw/zinc/06/86/35/705068635.db2.gz WTMKBNORHOWNLG-CYBMUJFWSA-N 1 1 321.377 1.662 20 5 DDBDMO Nc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000824003001 705352668 /nfs/dbraw/zinc/35/26/68/705352668.db2.gz LCFJYEHIXOROSD-RYUDHWBXSA-N 1 1 319.365 1.925 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345109 705436839 /nfs/dbraw/zinc/43/68/39/705436839.db2.gz YWBYYBNHHFWONT-QMTHXVAHSA-N 1 1 311.338 1.199 20 5 DDBDMO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000825664409 705710549 /nfs/dbraw/zinc/71/05/49/705710549.db2.gz FAAVRXXHNGPZMH-YGRLFVJLSA-N 1 1 307.350 1.227 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646702 705833593 /nfs/dbraw/zinc/83/35/93/705833593.db2.gz DRMGDQRVUIVVHS-SWLSCSKDSA-N 1 1 321.377 1.428 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000827330868 705977352 /nfs/dbraw/zinc/97/73/52/705977352.db2.gz SKINIXDAJLKNPX-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000828145558 706127296 /nfs/dbraw/zinc/12/72/96/706127296.db2.gz MHRFTKIOLOPHNN-CYBMUJFWSA-N 1 1 307.350 1.181 20 5 DDBDMO C[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000828145558 706127299 /nfs/dbraw/zinc/12/72/99/706127299.db2.gz MHRFTKIOLOPHNN-CYBMUJFWSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000877618447 706160687 /nfs/dbraw/zinc/16/06/87/706160687.db2.gz UXKIYMDEQYBLBT-UONOGXRCSA-N 1 1 305.378 1.462 20 5 DDBDMO C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000829736425 706386072 /nfs/dbraw/zinc/38/60/72/706386072.db2.gz IKKYZFNWBMQDEL-LBPRGKRZSA-N 1 1 315.414 1.126 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000878728337 706482884 /nfs/dbraw/zinc/48/28/84/706482884.db2.gz LTSVJDSDYLHBRT-MRXNPFEDSA-N 1 1 318.377 1.939 20 5 DDBDMO COc1ccc(CNc2cc3n(n2)CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000865844288 706541897 /nfs/dbraw/zinc/54/18/97/706541897.db2.gz HVJFBKRAPSSZIB-UHFFFAOYSA-N 1 1 317.349 1.857 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000879920539 706819849 /nfs/dbraw/zinc/81/98/49/706819849.db2.gz ASCPUEYQFVGGBE-UHFFFAOYSA-N 1 1 323.349 1.493 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000879971160 706839245 /nfs/dbraw/zinc/83/92/45/706839245.db2.gz MXJWUAPZVBQYIP-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880069017 706869350 /nfs/dbraw/zinc/86/93/50/706869350.db2.gz RJSQSBVHGKKOFC-LSDHHAIUSA-N 1 1 321.377 1.244 20 5 DDBDMO COCC1([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000880187366 706905355 /nfs/dbraw/zinc/90/53/55/706905355.db2.gz JUIIYNANDAUWEL-AWEZNQCLSA-N 1 1 324.377 1.835 20 5 DDBDMO CO[C@]1(C(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880302216 706933503 /nfs/dbraw/zinc/93/35/03/706933503.db2.gz DPUPHITYDDAWMX-SNVBAGLBSA-N 1 1 308.260 1.445 20 5 DDBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880302216 706933506 /nfs/dbraw/zinc/93/35/06/706933506.db2.gz DPUPHITYDDAWMX-SNVBAGLBSA-N 1 1 308.260 1.445 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872263110 707354469 /nfs/dbraw/zinc/35/44/69/707354469.db2.gz WKQBXWBSGWPGDT-YUTCNCBUSA-N 1 1 308.382 1.581 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187659 707593551 /nfs/dbraw/zinc/59/35/51/707593551.db2.gz AWXNEKKIGZBJAS-LSDHHAIUSA-N 1 1 321.377 1.569 20 5 DDBDMO Cc1cc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000838911490 708001729 /nfs/dbraw/zinc/00/17/29/708001729.db2.gz BTCIROGQBIELDU-OKILXGFUSA-N 1 1 320.345 1.923 20 5 DDBDMO Nc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219935 708258022 /nfs/dbraw/zinc/25/80/22/708258022.db2.gz QIXSAFORLSYVGA-OLZOCXBDSA-N 1 1 306.366 1.212 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221371 708259254 /nfs/dbraw/zinc/25/92/54/708259254.db2.gz MBDSGDKSQTZXHM-QWHCGFSZSA-N 1 1 323.397 1.155 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000886084240 708695421 /nfs/dbraw/zinc/69/54/21/708695421.db2.gz SZYGCJDRSKFNKL-GFCCVEGCSA-N 1 1 302.338 1.494 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000886574119 708779204 /nfs/dbraw/zinc/77/92/04/708779204.db2.gz OQTYTQARUOFPNU-OLUVUFQESA-N 1 1 302.334 1.674 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000886574119 708779206 /nfs/dbraw/zinc/77/92/06/708779206.db2.gz OQTYTQARUOFPNU-OLUVUFQESA-N 1 1 302.334 1.674 20 5 DDBDMO C[N@H+](CCc1ccc2c(c1)OCO2)CCn1ccc([N+](=O)[O-])n1 ZINC000887095275 708953978 /nfs/dbraw/zinc/95/39/78/708953978.db2.gz FTQPACRHJPKESK-UHFFFAOYSA-N 1 1 318.333 1.695 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887929287 709168183 /nfs/dbraw/zinc/16/81/83/709168183.db2.gz QOGTZILIVRBPMD-BMIGLBTASA-N 1 1 304.350 1.201 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000890078336 709737199 /nfs/dbraw/zinc/73/71/99/709737199.db2.gz AWLCOWBOFBJOEW-UHFFFAOYSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000928440063 713197047 /nfs/dbraw/zinc/19/70/47/713197047.db2.gz AMGROLIEJPFZIE-RNCFNFMXSA-N 1 1 311.769 2.000 20 5 DDBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)cc([N+](=O)[O-])c1 ZINC000903209004 711065920 /nfs/dbraw/zinc/06/59/20/711065920.db2.gz DDHWHSWYRYJWII-ZJUUUORDSA-N 1 1 311.338 1.662 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000912025196 711129737 /nfs/dbraw/zinc/12/97/37/711129737.db2.gz ZKJWEAWMDPAOHM-PHIMTYICSA-N 1 1 306.366 1.732 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000913533341 713247627 /nfs/dbraw/zinc/24/76/27/713247627.db2.gz NPYDWDUXCWLTOI-TXEJJXNPSA-N 1 1 307.325 1.581 20 5 DDBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894997227 711357442 /nfs/dbraw/zinc/35/74/42/711357442.db2.gz XMDJKAXVXVIKTL-MRVPVSSYSA-N 1 1 324.138 1.986 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000913537410 713249042 /nfs/dbraw/zinc/24/90/42/713249042.db2.gz HQDNVZMKSBCVGH-PHIMTYICSA-N 1 1 323.324 1.418 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000913537410 713249043 /nfs/dbraw/zinc/24/90/43/713249043.db2.gz HQDNVZMKSBCVGH-PHIMTYICSA-N 1 1 323.324 1.418 20 5 DDBDMO C[C@H]1[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738214 711591093 /nfs/dbraw/zinc/59/10/93/711591093.db2.gz IATWKYPQOBCONY-GXSJLCMTSA-N 1 1 313.379 1.503 20 5 DDBDMO C[C@H]1[C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895738214 711591096 /nfs/dbraw/zinc/59/10/96/711591096.db2.gz IATWKYPQOBCONY-GXSJLCMTSA-N 1 1 313.379 1.503 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CCC([C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000895815922 711615219 /nfs/dbraw/zinc/61/52/19/711615219.db2.gz ORPXYRIYQXHMNJ-SNVBAGLBSA-N 1 1 310.350 1.902 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000913933883 713321845 /nfs/dbraw/zinc/32/18/45/713321845.db2.gz USZZDXSDUPAFSR-VXGBXAGGSA-N 1 1 321.381 1.399 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)C2(O)CCC2)C2CC2)c1 ZINC000929853342 713707430 /nfs/dbraw/zinc/70/74/30/713707430.db2.gz LYDONWWDJYYHMX-OAHLLOKOSA-N 1 1 306.362 1.835 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)C1(O)CCC1)C1CC1 ZINC000930061230 713746926 /nfs/dbraw/zinc/74/69/26/713746926.db2.gz PGYQSKNINMUWHG-OAHLLOKOSA-N 1 1 306.362 1.835 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)C1(O)CCC1)C1CC1 ZINC000930061230 713746928 /nfs/dbraw/zinc/74/69/28/713746928.db2.gz PGYQSKNINMUWHG-OAHLLOKOSA-N 1 1 306.362 1.835 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930441066 713835924 /nfs/dbraw/zinc/83/59/24/713835924.db2.gz QXWKVHMGTLHOKI-DZKIICNBSA-N 1 1 306.362 1.873 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000921681045 713841266 /nfs/dbraw/zinc/84/12/66/713841266.db2.gz PPKIZLWIFJQNTH-BXUZGUMPSA-N 1 1 306.366 1.529 20 5 DDBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000930684316 713895904 /nfs/dbraw/zinc/89/59/04/713895904.db2.gz OVJANDGHURFVPJ-RYUDHWBXSA-N 1 1 301.387 1.746 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434145 714096216 /nfs/dbraw/zinc/09/62/16/714096216.db2.gz NITZHVJCXGGUJL-OLZOCXBDSA-N 1 1 318.377 1.417 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932003465 714230690 /nfs/dbraw/zinc/23/06/90/714230690.db2.gz PWASTLKWPCSLRX-OCCSQVGLSA-N 1 1 308.334 1.323 20 5 DDBDMO C[C@]1([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016807 714236009 /nfs/dbraw/zinc/23/60/09/714236009.db2.gz PLDAUXNTJOCUFG-IUODEOHRSA-N 1 1 320.349 1.700 20 5 DDBDMO COc1c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000923267392 714290196 /nfs/dbraw/zinc/29/01/96/714290196.db2.gz DVHVWZOLQDVEBN-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3nc(C4CC4)cc3C2)n1 ZINC000932605541 714366155 /nfs/dbraw/zinc/36/61/55/714366155.db2.gz FYFAMJLTCOBJQT-UHFFFAOYSA-N 1 1 302.338 1.381 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3nc(C4CC4)cc3C2)n1 ZINC000932605541 714366158 /nfs/dbraw/zinc/36/61/58/714366158.db2.gz FYFAMJLTCOBJQT-UHFFFAOYSA-N 1 1 302.338 1.381 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933900313 714696637 /nfs/dbraw/zinc/69/66/37/714696637.db2.gz JIUMPIXXMAFMMM-UONOGXRCSA-N 1 1 308.334 1.466 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000933900313 714696639 /nfs/dbraw/zinc/69/66/39/714696639.db2.gz JIUMPIXXMAFMMM-UONOGXRCSA-N 1 1 308.334 1.466 20 5 DDBDMO O=C1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCCCCN1 ZINC000934162294 714758369 /nfs/dbraw/zinc/75/83/69/714758369.db2.gz INORZFKVTLOGBZ-UHFFFAOYSA-N 1 1 321.377 1.966 20 5 DDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164664952 719386522 /nfs/dbraw/zinc/38/65/22/719386522.db2.gz DCKYTSDPZIORCL-GHMZBOCLSA-N 1 1 312.757 1.471 20 5 DDBDMO COc1ncnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164774286 721288458 /nfs/dbraw/zinc/28/84/58/721288458.db2.gz YTFQGBHSECVVHY-UHFFFAOYSA-N 1 1 319.365 1.316 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610514187 721901535 /nfs/dbraw/zinc/90/15/35/721901535.db2.gz JSCUDUBLNRXPJZ-CQSZACIVSA-N 1 1 306.366 1.599 20 5 DDBDMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001100386793 732306068 /nfs/dbraw/zinc/30/60/68/732306068.db2.gz VWFPLRPTCGFDMG-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO CC(C)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126932224 742776505 /nfs/dbraw/zinc/77/65/05/742776505.db2.gz NBZICUGFIAZPSR-TZMCWYRMSA-N 1 1 306.366 1.076 20 5 DDBDMO Cn1cc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)c([N+](=O)[O-])n1 ZINC001191831231 745623983 /nfs/dbraw/zinc/62/39/83/745623983.db2.gz FSQKWBLPRDMOEC-UHFFFAOYSA-N 1 1 321.381 1.257 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001198883807 747645400 /nfs/dbraw/zinc/64/54/00/747645400.db2.gz VJIJPXFAFVAJBI-HNNXBMFYSA-N 1 1 320.393 1.584 20 5 DDBDMO O=C(c1ccco1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007156 762174893 /nfs/dbraw/zinc/17/48/93/762174893.db2.gz LOHCKSDVOTZOBN-STQMWFEESA-N 1 1 307.350 1.483 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001086084067 760944871 /nfs/dbraw/zinc/94/48/71/760944871.db2.gz AVCAZONRFHSKGR-LYIQGSDWSA-N 1 1 324.406 1.101 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363318 761493055 /nfs/dbraw/zinc/49/30/55/761493055.db2.gz NXMURTOLNLLCFA-NMFUWQPSSA-N 1 1 321.421 1.716 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001170340370 766274124 /nfs/dbraw/zinc/27/41/24/766274124.db2.gz UXJCCLYBTANPGF-UHFFFAOYSA-N 1 1 301.306 1.777 20 5 DDBDMO COC(=O)C[C@H]1COCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231913 777063630 /nfs/dbraw/zinc/06/36/30/777063630.db2.gz OTFMTZKPJQMVRV-DOMZBBRYSA-N 1 1 322.361 1.790 20 5 DDBDMO COC(=O)C[C@H]1COCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231913 777063636 /nfs/dbraw/zinc/06/36/36/777063636.db2.gz OTFMTZKPJQMVRV-DOMZBBRYSA-N 1 1 322.361 1.790 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C(=O)N(C)C)CC1 ZINC001173229407 777063698 /nfs/dbraw/zinc/06/36/98/777063698.db2.gz UJYDXJXLWBRFSG-ZDUSSCGKSA-N 1 1 320.393 1.825 20 5 DDBDMO CCN(C(=O)OC(C)(C)C)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001177057030 778417858 /nfs/dbraw/zinc/41/78/58/778417858.db2.gz KNPKJXQSJPAAEN-UHFFFAOYSA-N 1 1 301.387 1.985 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001116442116 780509969 /nfs/dbraw/zinc/50/99/69/780509969.db2.gz IHJOAANFQBJTMH-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001116442116 780509974 /nfs/dbraw/zinc/50/99/74/780509974.db2.gz IHJOAANFQBJTMH-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CCn1cc([C@@H](O)C[N@H+](CC[N+](=O)[O-])Cc2ccccc2)cn1 ZINC001119767203 781600307 /nfs/dbraw/zinc/60/03/07/781600307.db2.gz QCIJWLLNMSEZPD-INIZCTEOSA-N 1 1 318.377 1.715 20 5 DDBDMO CCn1cc([C@@H](O)C[N@@H+](CC[N+](=O)[O-])Cc2ccccc2)cn1 ZINC001119767203 781600313 /nfs/dbraw/zinc/60/03/13/781600313.db2.gz QCIJWLLNMSEZPD-INIZCTEOSA-N 1 1 318.377 1.715 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001120040271 781734597 /nfs/dbraw/zinc/73/45/97/781734597.db2.gz CBVCMYYIFCQQCF-OAHLLOKOSA-N 1 1 306.366 1.921 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482966 861401164 /nfs/dbraw/zinc/40/11/64/861401164.db2.gz RPNNPAOIBDOEBH-BYCMXARLSA-N 1 1 321.377 1.427 20 5 DDBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnon1 ZINC001272138810 844648416 /nfs/dbraw/zinc/64/84/16/844648416.db2.gz ZJPPQTNBUWAXCY-UHFFFAOYSA-N 1 1 319.321 1.182 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC1=CCCCC1 ZINC001124810593 859820265 /nfs/dbraw/zinc/82/02/65/859820265.db2.gz WPBLDOGRRFHBDD-UHFFFAOYSA-N 1 1 321.381 1.425 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001137818863 859981454 /nfs/dbraw/zinc/98/14/54/859981454.db2.gz ABUDNXZKBIUBOK-UHFFFAOYSA-N 1 1 324.768 1.822 20 5 DDBDMO O=C(NCC[NH+]1CC=CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001320144172 866507459 /nfs/dbraw/zinc/50/74/59/866507459.db2.gz SQYYJFVPADJFDZ-UHFFFAOYSA-N 1 1 311.288 1.675 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001320576748 866848730 /nfs/dbraw/zinc/84/87/30/866848730.db2.gz ZOKZOIBGIOBMSB-CYBMUJFWSA-N 1 1 306.366 1.457 20 5 DDBDMO Nc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001333885846 867116416 /nfs/dbraw/zinc/11/64/16/867116416.db2.gz QWQFOYYBYDPHQN-GFCCVEGCSA-N 1 1 319.365 1.879 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CCCNC(=O)C2)ncc1[N+](=O)[O-] ZINC001162454031 867546260 /nfs/dbraw/zinc/54/62/60/867546260.db2.gz NBUYKNDAOICSSR-PZBABLGHSA-N 1 1 319.365 1.603 20 5 DDBDMO C[N@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001321850087 867832783 /nfs/dbraw/zinc/83/27/83/867832783.db2.gz NRCIRPLGTIYDGH-UHFFFAOYSA-N 1 1 316.155 1.665 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001321850087 867832795 /nfs/dbraw/zinc/83/27/95/867832795.db2.gz NRCIRPLGTIYDGH-UHFFFAOYSA-N 1 1 316.155 1.665 20 5 DDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC001334951693 867942049 /nfs/dbraw/zinc/94/20/49/867942049.db2.gz LITKOBKVEHJLNP-LLVKDONJSA-N 1 1 304.354 1.521 20 5 DDBDMO COC(=O)c1cc(C)nc(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC001163920413 868791463 /nfs/dbraw/zinc/79/14/63/868791463.db2.gz ZYVHIQXTEBTXHY-UHFFFAOYSA-N 1 1 319.321 1.702 20 5 DDBDMO CC(C)[N@@H+](CCO)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001336713440 869105570 /nfs/dbraw/zinc/10/55/70/869105570.db2.gz VUENUJHHHXVCGB-UHFFFAOYSA-N 1 1 322.409 1.909 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762923 869128217 /nfs/dbraw/zinc/12/82/17/869128217.db2.gz JQZIEUZWERRKAH-CJNGLKHVSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762923 869128226 /nfs/dbraw/zinc/12/82/26/869128226.db2.gz JQZIEUZWERRKAH-CJNGLKHVSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762923 869128233 /nfs/dbraw/zinc/12/82/33/869128233.db2.gz JQZIEUZWERRKAH-CJNGLKHVSA-N 1 1 307.394 1.948 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cc(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001165261588 869475359 /nfs/dbraw/zinc/47/53/59/869475359.db2.gz RPYSAYARJZOWGI-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001337536868 869530124 /nfs/dbraw/zinc/53/01/24/869530124.db2.gz YJEZRZSZXVNQQA-JTQLQIEISA-N 1 1 321.333 1.538 20 5 DDBDMO COC(=O)c1cnc(N2CCn3c(C)[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC001165384988 869556040 /nfs/dbraw/zinc/55/60/40/869556040.db2.gz OCLZJODPIVQQKA-UHFFFAOYSA-N 1 1 317.305 1.302 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001338083933 869790790 /nfs/dbraw/zinc/79/07/90/869790790.db2.gz LTUGOHOVOAPTHT-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001338083933 869790800 /nfs/dbraw/zinc/79/08/00/869790800.db2.gz LTUGOHOVOAPTHT-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CCC(OC(C)=O)CC2)c1[N+](=O)[O-] ZINC001204347680 871068765 /nfs/dbraw/zinc/06/87/65/871068765.db2.gz KLTPLKVBXYBSPD-UHFFFAOYSA-N 1 1 324.333 1.837 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001318620815 872173543 /nfs/dbraw/zinc/17/35/43/872173543.db2.gz ONLWQHOXZZFHQX-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO Cc1c(C(=O)OCC(C)(C)[N+](=O)[O-])cnn1-c1cc[nH+]cc1 ZINC001345048311 873237637 /nfs/dbraw/zinc/23/76/37/873237637.db2.gz APCCKDCYFIYJRO-UHFFFAOYSA-N 1 1 304.306 1.788 20 5 DDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001350473183 875711552 /nfs/dbraw/zinc/71/15/52/875711552.db2.gz AERZGPSNDQPXIO-NSHDSACASA-N 1 1 317.349 1.888 20 5 DDBDMO Nc1c(C(=O)NC[C@@]23CC[N@@H+](C2)CCC3)cc(F)cc1[N+](=O)[O-] ZINC001300104021 876905472 /nfs/dbraw/zinc/90/54/72/876905472.db2.gz NCKKPFUXUJZKSY-OAHLLOKOSA-N 1 1 322.340 1.532 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC001356545363 879095878 /nfs/dbraw/zinc/09/58/78/879095878.db2.gz VGMZZDQACBIUTJ-OAHLLOKOSA-N 1 1 317.349 1.735 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cn[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001234368201 887908086 /nfs/dbraw/zinc/90/80/86/887908086.db2.gz AABPBLUZQJQVPH-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001291881664 913591817 /nfs/dbraw/zinc/59/18/17/913591817.db2.gz DKWQVWFUMBYDOV-NSHDSACASA-N 1 1 311.769 1.859 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCOCC1 ZINC001254550953 896499463 /nfs/dbraw/zinc/49/94/63/896499463.db2.gz TZJBBPFQGGQJEH-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001254567614 896505259 /nfs/dbraw/zinc/50/52/59/896505259.db2.gz XSCGOVWJYXFGQZ-FPMFFAJLSA-N 1 1 303.362 1.594 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC001316594027 903190381 /nfs/dbraw/zinc/19/03/81/903190381.db2.gz JDQIQTHMKXJNIF-UHFFFAOYSA-N 1 1 323.397 1.192 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000286538455 219041973 /nfs/dbraw/zinc/04/19/73/219041973.db2.gz OAYUQOLZHBLBGN-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153623415 290649672 /nfs/dbraw/zinc/64/96/72/290649672.db2.gz KZRKFLOZAOBYCW-MGPQQGTHSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+](C2CC2)C1 ZINC000452178289 231326770 /nfs/dbraw/zinc/32/67/70/231326770.db2.gz YVKKASSXXHIJEY-SNVBAGLBSA-N 1 1 319.365 1.128 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895368 362066668 /nfs/dbraw/zinc/06/66/68/362066668.db2.gz QPBHIXJWPDDRLQ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895368 362066672 /nfs/dbraw/zinc/06/66/72/362066672.db2.gz QPBHIXJWPDDRLQ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000615037697 362123196 /nfs/dbraw/zinc/12/31/96/362123196.db2.gz IYVPUEPMPMCFLQ-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000615037697 362123203 /nfs/dbraw/zinc/12/32/03/362123203.db2.gz IYVPUEPMPMCFLQ-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+](C)CCOC ZINC000443429008 529932861 /nfs/dbraw/zinc/93/28/61/529932861.db2.gz PNMASNCBMCCSAY-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295159549 282363735 /nfs/dbraw/zinc/36/37/35/282363735.db2.gz SAVKNRQRDNWELI-CJNGLKHVSA-N 1 1 321.377 1.508 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000330783996 232065060 /nfs/dbraw/zinc/06/50/60/232065060.db2.gz RGGXFNOXTSORRT-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000330783996 232065062 /nfs/dbraw/zinc/06/50/62/232065062.db2.gz RGGXFNOXTSORRT-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305655407 282398605 /nfs/dbraw/zinc/39/86/05/282398605.db2.gz PFCXZYMTTOADHT-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305655407 282398608 /nfs/dbraw/zinc/39/86/08/282398608.db2.gz PFCXZYMTTOADHT-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO CC(=O)c1cc(N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000286854384 219195943 /nfs/dbraw/zinc/19/59/43/219195943.db2.gz MNNBMXQXTQIIEN-NSHDSACASA-N 1 1 307.350 1.300 20 5 DDBDMO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000150712928 186059079 /nfs/dbraw/zinc/05/90/79/186059079.db2.gz KZYVZOTYAKBQNH-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851834 186193198 /nfs/dbraw/zinc/19/31/98/186193198.db2.gz DOSKMLLLVZWTPP-SMDDNHRTSA-N 1 1 307.350 1.411 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851834 186193200 /nfs/dbraw/zinc/19/32/00/186193200.db2.gz DOSKMLLLVZWTPP-SMDDNHRTSA-N 1 1 307.350 1.411 20 5 DDBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490047925 233989082 /nfs/dbraw/zinc/98/90/82/233989082.db2.gz UIAHOWLYCFDBOA-CYBMUJFWSA-N 1 1 310.350 1.711 20 5 DDBDMO COC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000042567334 352343894 /nfs/dbraw/zinc/34/38/94/352343894.db2.gz ZJZPKBLGGRBYLA-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)nc1 ZINC000072665118 191211253 /nfs/dbraw/zinc/21/12/53/191211253.db2.gz XQCIZLYOJJRBTJ-CYBMUJFWSA-N 1 1 306.366 1.903 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CCOCC3)C2)nc1 ZINC000072665119 191211687 /nfs/dbraw/zinc/21/16/87/191211687.db2.gz XQCIZLYOJJRBTJ-ZDUSSCGKSA-N 1 1 306.366 1.903 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](O)C3)o2)cc1 ZINC000048615474 352544166 /nfs/dbraw/zinc/54/41/66/352544166.db2.gz GVBUPYXMTCTIEY-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](O)C3)o2)cc1 ZINC000048615474 352544169 /nfs/dbraw/zinc/54/41/69/352544169.db2.gz GVBUPYXMTCTIEY-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067717805 353063983 /nfs/dbraw/zinc/06/39/83/353063983.db2.gz BIAUOSLAQWMAGB-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000067273256 353041701 /nfs/dbraw/zinc/04/17/01/353041701.db2.gz LFQCMKMOISSGNY-VMPITWQZSA-N 1 1 307.350 1.302 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067417875 353048371 /nfs/dbraw/zinc/04/83/71/353048371.db2.gz SGCSLPFVPPIVAA-CYBMUJFWSA-N 1 1 321.377 1.952 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067417875 353048373 /nfs/dbraw/zinc/04/83/73/353048373.db2.gz SGCSLPFVPPIVAA-CYBMUJFWSA-N 1 1 321.377 1.952 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332012026 234386896 /nfs/dbraw/zinc/38/68/96/234386896.db2.gz SGHRPCRYVRAJPQ-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1cnc(N2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000074773370 353330435 /nfs/dbraw/zinc/33/04/35/353330435.db2.gz ZNSMDYZFPODHIN-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000174655335 198365377 /nfs/dbraw/zinc/36/53/77/198365377.db2.gz IWTCXSTXISEBPA-UHFFFAOYSA-N 1 1 324.337 1.965 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000079481802 353563404 /nfs/dbraw/zinc/56/34/04/353563404.db2.gz YABHCMGCBJWXLM-CYBMUJFWSA-N 1 1 311.407 1.953 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157813732 354227201 /nfs/dbraw/zinc/22/72/01/354227201.db2.gz OLNGSEGAEQVKJF-NOZJJQNGSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157813732 354227204 /nfs/dbraw/zinc/22/72/04/354227204.db2.gz OLNGSEGAEQVKJF-NOZJJQNGSA-N 1 1 311.313 1.183 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000357243405 291030041 /nfs/dbraw/zinc/03/00/41/291030041.db2.gz XEWZKHLHQUZTAC-JTQLQIEISA-N 1 1 319.365 1.518 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310471 358490204 /nfs/dbraw/zinc/49/02/04/358490204.db2.gz PMJFASSNPBLPCY-BXKDBHETSA-N 1 1 307.325 1.946 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588862580 354944393 /nfs/dbraw/zinc/94/43/93/354944393.db2.gz GNUWJJLRWMGECZ-KGLIPLIRSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1cccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863639 354944485 /nfs/dbraw/zinc/94/44/85/354944485.db2.gz SGMITZDFPYJMLW-STQMWFEESA-N 1 1 319.361 1.184 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000588976805 354953623 /nfs/dbraw/zinc/95/36/23/354953623.db2.gz YUAOPLBYHXYMFR-VIFPVBQESA-N 1 1 303.322 1.168 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000588976805 354953630 /nfs/dbraw/zinc/95/36/30/354953630.db2.gz YUAOPLBYHXYMFR-VIFPVBQESA-N 1 1 303.322 1.168 20 5 DDBDMO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276974566 213212444 /nfs/dbraw/zinc/21/24/44/213212444.db2.gz XKEJXLWCVOPSQB-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276974566 213212447 /nfs/dbraw/zinc/21/24/47/213212447.db2.gz XKEJXLWCVOPSQB-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000591510741 355323069 /nfs/dbraw/zinc/32/30/69/355323069.db2.gz GADNKSURVSCSTA-IUODEOHRSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000591510741 355323074 /nfs/dbraw/zinc/32/30/74/355323074.db2.gz GADNKSURVSCSTA-IUODEOHRSA-N 1 1 321.377 1.661 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592999799 355765674 /nfs/dbraw/zinc/76/56/74/355765674.db2.gz DYTGWZCCXMRIIN-CQSZACIVSA-N 1 1 304.394 1.811 20 5 DDBDMO C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000593448322 355888160 /nfs/dbraw/zinc/88/81/60/355888160.db2.gz QKGUPGHPFCHLQU-SNVBAGLBSA-N 1 1 309.341 1.875 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594058110 356102525 /nfs/dbraw/zinc/10/25/25/356102525.db2.gz FMQVXXXFXKWDIX-QWHCGFSZSA-N 1 1 320.349 1.186 20 5 DDBDMO CCN1CC[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373216 356469698 /nfs/dbraw/zinc/46/96/98/356469698.db2.gz YPFNLAJVTUIKPC-AAEUAGOBSA-N 1 1 319.365 1.097 20 5 DDBDMO CCN1CC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373216 356469701 /nfs/dbraw/zinc/46/97/01/356469701.db2.gz YPFNLAJVTUIKPC-AAEUAGOBSA-N 1 1 319.365 1.097 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081362741 192256997 /nfs/dbraw/zinc/25/69/97/192256997.db2.gz NRFIZTDRRQFFAR-ZDUSSCGKSA-N 1 1 323.397 1.372 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000565224454 304055055 /nfs/dbraw/zinc/05/50/55/304055055.db2.gz JCUAANSZRLUIGI-CQSZACIVSA-N 1 1 314.407 1.767 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1COCCO1 ZINC000595738009 356629445 /nfs/dbraw/zinc/62/94/45/356629445.db2.gz UUDJBLBKBVADAM-RISCZKNCSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1COCCO1 ZINC000595738009 356629446 /nfs/dbraw/zinc/62/94/46/356629446.db2.gz UUDJBLBKBVADAM-RISCZKNCSA-N 1 1 323.349 1.269 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595756493 356638953 /nfs/dbraw/zinc/63/89/53/356638953.db2.gz GMPCFPUGDNDKMI-BLLLJJGKSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595756493 356638956 /nfs/dbraw/zinc/63/89/56/356638956.db2.gz GMPCFPUGDNDKMI-BLLLJJGKSA-N 1 1 319.361 1.810 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759871 356640492 /nfs/dbraw/zinc/64/04/92/356640492.db2.gz QLCVJRQXWFAFMZ-BLLLJJGKSA-N 1 1 319.361 1.892 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760094 356641193 /nfs/dbraw/zinc/64/11/93/356641193.db2.gz SAAVOGBZDSXQDV-XHDPSFHLSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760094 356641195 /nfs/dbraw/zinc/64/11/95/356641195.db2.gz SAAVOGBZDSXQDV-XHDPSFHLSA-N 1 1 305.334 1.502 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618265119 363551165 /nfs/dbraw/zinc/55/11/65/363551165.db2.gz UWIUCVGCOZZTKY-ZDUSSCGKSA-N 1 1 317.349 1.572 20 5 DDBDMO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596206013 356813402 /nfs/dbraw/zinc/81/34/02/356813402.db2.gz JWLIDHNVNHCMNZ-CQSZACIVSA-N 1 1 306.366 1.470 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596272242 356840144 /nfs/dbraw/zinc/84/01/44/356840144.db2.gz VHSIFWUFXKRTRJ-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000358788527 299255227 /nfs/dbraw/zinc/25/52/27/299255227.db2.gz FSTWMGBATNBYBF-SNVBAGLBSA-N 1 1 318.337 1.403 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000597677978 357281391 /nfs/dbraw/zinc/28/13/91/357281391.db2.gz KIARSQNZOHAKBK-LLVKDONJSA-N 1 1 322.365 1.248 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000597922517 357382948 /nfs/dbraw/zinc/38/29/48/357382948.db2.gz FKLRSAUMPFVPJU-LBPRGKRZSA-N 1 1 321.377 1.963 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598342515 357545964 /nfs/dbraw/zinc/54/59/64/357545964.db2.gz OCWWWLZGKKAOOX-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598646918 357668767 /nfs/dbraw/zinc/66/87/67/357668767.db2.gz AVPAXNZJYHFJBK-ZWNOBZJWSA-N 1 1 307.350 1.144 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648869 357670396 /nfs/dbraw/zinc/67/03/96/357670396.db2.gz IAHAZUMIZJXQCD-STQMWFEESA-N 1 1 321.377 1.874 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599779356 358057141 /nfs/dbraw/zinc/05/71/41/358057141.db2.gz HCSGWDYQEUDRRB-LBPRGKRZSA-N 1 1 308.338 1.091 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600534614 358250799 /nfs/dbraw/zinc/25/07/99/358250799.db2.gz OYFCNKOISNKTEH-GFCCVEGCSA-N 1 1 313.741 1.045 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180931588 199228985 /nfs/dbraw/zinc/22/89/85/199228985.db2.gz DDQMAYLUHYSTNI-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO O=C1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000601126408 358413491 /nfs/dbraw/zinc/41/34/91/358413491.db2.gz XYSRQNAMVLKMEA-JTQLQIEISA-N 1 1 312.329 1.740 20 5 DDBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601134820 358416273 /nfs/dbraw/zinc/41/62/73/358416273.db2.gz LXJVXQBCFXDYOB-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601134820 358416276 /nfs/dbraw/zinc/41/62/76/358416276.db2.gz LXJVXQBCFXDYOB-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434228 358551696 /nfs/dbraw/zinc/55/16/96/358551696.db2.gz NOIKOOXFYAHVGA-SECBINFHSA-N 1 1 319.408 1.195 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000601583515 358611395 /nfs/dbraw/zinc/61/13/95/358611395.db2.gz BULNLEZDMKSBNN-QWRGUYRKSA-N 1 1 323.324 1.015 20 5 DDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601521350 358586494 /nfs/dbraw/zinc/58/64/94/358586494.db2.gz XNCSURMFFGXTHS-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601521350 358586497 /nfs/dbraw/zinc/58/64/97/358586497.db2.gz XNCSURMFFGXTHS-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000602775666 359182597 /nfs/dbraw/zinc/18/25/97/359182597.db2.gz MAFJAVFFTSAAQN-KOLCDFICSA-N 1 1 322.287 1.487 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000602783087 359189166 /nfs/dbraw/zinc/18/91/66/359189166.db2.gz YESKUXVPIIDHBT-LBPRGKRZSA-N 1 1 324.381 1.763 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000602840546 359230354 /nfs/dbraw/zinc/23/03/54/359230354.db2.gz NUEJYOOMXWADMU-CYBMUJFWSA-N 1 1 321.425 1.906 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)c2[nH+]cccc21 ZINC000602799868 359200609 /nfs/dbraw/zinc/20/06/09/359200609.db2.gz QMUPJLUVPKKFMQ-UHFFFAOYSA-N 1 1 302.338 1.451 20 5 DDBDMO Cn1cc(CN[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822936 359217059 /nfs/dbraw/zinc/21/70/59/359217059.db2.gz HJXFEDOHUVNYHR-CABCVRRESA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cc(CN[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822936 359217066 /nfs/dbraw/zinc/21/70/66/359217066.db2.gz HJXFEDOHUVNYHR-CABCVRRESA-N 1 1 315.377 1.863 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000602951364 359316057 /nfs/dbraw/zinc/31/60/57/359316057.db2.gz JAIATILNGJUXIF-AAEUAGOBSA-N 1 1 319.365 1.278 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000602961503 359324013 /nfs/dbraw/zinc/32/40/13/359324013.db2.gz UUKSYINBAUEHPO-HNNXBMFYSA-N 1 1 319.365 1.280 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(CO)CC1 ZINC000186798465 200013480 /nfs/dbraw/zinc/01/34/80/200013480.db2.gz DKUSVCGKAHPJPB-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(CO)CC1 ZINC000186798465 200013481 /nfs/dbraw/zinc/01/34/81/200013481.db2.gz DKUSVCGKAHPJPB-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO Cc1c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000186804715 200014001 /nfs/dbraw/zinc/01/40/01/200014001.db2.gz OBTGSCHUJMOFPV-LLVKDONJSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186806659 200014325 /nfs/dbraw/zinc/01/43/25/200014325.db2.gz YWVTZMFIBSKNPA-WXJAXGNASA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000603401261 359617824 /nfs/dbraw/zinc/61/78/24/359617824.db2.gz KPMNSPJOJHQTOA-LLVKDONJSA-N 1 1 324.356 1.818 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCCO ZINC000276225932 212741670 /nfs/dbraw/zinc/74/16/70/212741670.db2.gz BTPRWVCDTMKMPH-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CC[N@H+](CC(N)=O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188064402 200188715 /nfs/dbraw/zinc/18/87/15/200188715.db2.gz FQAUGBPIIRXTAA-UHFFFAOYSA-N 1 1 317.349 1.303 20 5 DDBDMO CC[N@@H+](CC(N)=O)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188064402 200188716 /nfs/dbraw/zinc/18/87/16/200188716.db2.gz FQAUGBPIIRXTAA-UHFFFAOYSA-N 1 1 317.349 1.303 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCN(C)CC1 ZINC000449220721 296006838 /nfs/dbraw/zinc/00/68/38/296006838.db2.gz RBIBRXNCSCYVNL-HNNXBMFYSA-N 1 1 320.437 1.753 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000609044639 360258167 /nfs/dbraw/zinc/25/81/67/360258167.db2.gz NVQMWTQYHZDBMK-GFCCVEGCSA-N 1 1 307.350 1.356 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000609283851 360287043 /nfs/dbraw/zinc/28/70/43/360287043.db2.gz FREMKTLZMUTXFV-ZFWWWQNUSA-N 1 1 323.393 1.361 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208768 360390747 /nfs/dbraw/zinc/39/07/47/360390747.db2.gz KRPRCMCVDQXJMO-WCQYABFASA-N 1 1 321.377 1.745 20 5 DDBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899533 360567219 /nfs/dbraw/zinc/56/72/19/360567219.db2.gz YYGOFWFMAJOMNP-FZMZJTMJSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899533 360567225 /nfs/dbraw/zinc/56/72/25/360567225.db2.gz YYGOFWFMAJOMNP-FZMZJTMJSA-N 1 1 322.365 1.113 20 5 DDBDMO CCOC(=O)C[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611237165 360672339 /nfs/dbraw/zinc/67/23/39/360672339.db2.gz CLFXXMMMSKZBMO-AWEZNQCLSA-N 1 1 322.361 1.873 20 5 DDBDMO CCOC(=O)C[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611237165 360672342 /nfs/dbraw/zinc/67/23/42/360672342.db2.gz CLFXXMMMSKZBMO-AWEZNQCLSA-N 1 1 322.361 1.873 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253067 363946911 /nfs/dbraw/zinc/94/69/11/363946911.db2.gz QYEQFLJPDWXFFL-KGLIPLIRSA-N 1 1 307.325 1.853 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000619704908 364122631 /nfs/dbraw/zinc/12/26/31/364122631.db2.gz YDOILUHDMFAQEP-ZDUSSCGKSA-N 1 1 306.366 1.538 20 5 DDBDMO C[C@H](c1ccccn1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091704438 193094633 /nfs/dbraw/zinc/09/46/33/193094633.db2.gz QTHUBOOFELLQSQ-GFCCVEGCSA-N 1 1 302.334 1.845 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264654992 204056112 /nfs/dbraw/zinc/05/61/12/204056112.db2.gz PRIQNDJQIGQCBE-CYBMUJFWSA-N 1 1 321.381 1.271 20 5 DDBDMO Cc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000264840955 204198857 /nfs/dbraw/zinc/19/88/57/204198857.db2.gz WZAQIILKUQWXOU-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000266338977 205278053 /nfs/dbraw/zinc/27/80/53/205278053.db2.gz IAJOSKAXUPPWQB-GFCCVEGCSA-N 1 1 309.366 1.760 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859132 249266765 /nfs/dbraw/zinc/26/67/65/249266765.db2.gz FIZDEHBJZDGWGA-JQWIXIFHSA-N 1 1 306.366 1.849 20 5 DDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCCC[C@@H]1C ZINC000339003576 250241627 /nfs/dbraw/zinc/24/16/27/250241627.db2.gz OCJKYRYAEGHHQS-QWRGUYRKSA-N 1 1 321.381 1.764 20 5 DDBDMO Cc1nnc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000273537727 210851004 /nfs/dbraw/zinc/85/10/04/210851004.db2.gz ABDYNTLGJJHJCY-QMMMGPOBSA-N 1 1 309.351 1.267 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352404119 285027817 /nfs/dbraw/zinc/02/78/17/285027817.db2.gz CGCLMCGKIYZDIR-PWSUYJOCSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120020958 195081970 /nfs/dbraw/zinc/08/19/70/195081970.db2.gz HCPUPRGBNQCBIF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000120020958 195081972 /nfs/dbraw/zinc/08/19/72/195081972.db2.gz HCPUPRGBNQCBIF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000174014506 285112618 /nfs/dbraw/zinc/11/26/18/285112618.db2.gz ONTBZBJYOZXGOM-MRXNPFEDSA-N 1 1 305.378 1.891 20 5 DDBDMO Cc1cc(C(=O)NCCC[N@H+](C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000288729580 220375810 /nfs/dbraw/zinc/37/58/10/220375810.db2.gz NLLSODWVHWMWBI-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1cc(C(=O)NCCCN(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000288729580 220375814 /nfs/dbraw/zinc/37/58/14/220375814.db2.gz NLLSODWVHWMWBI-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@@H]1O ZINC000352657399 285201884 /nfs/dbraw/zinc/20/18/84/285201884.db2.gz AEEYUQQXBRDGAU-OLZOCXBDSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@@H]1O ZINC000352657399 285201888 /nfs/dbraw/zinc/20/18/88/285201888.db2.gz AEEYUQQXBRDGAU-OLZOCXBDSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000121848832 195360710 /nfs/dbraw/zinc/36/07/10/195360710.db2.gz DWVAZBZPNKPVMU-ZDUSSCGKSA-N 1 1 320.393 1.208 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124812084 195681536 /nfs/dbraw/zinc/68/15/36/195681536.db2.gz LLPVMHOMXAFNEL-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000494791560 533373146 /nfs/dbraw/zinc/37/31/46/533373146.db2.gz DVNDWQVYBKDPJB-SNVBAGLBSA-N 1 1 318.337 1.403 20 5 DDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc([S@@](C)=O)cc1 ZINC000360211955 299616074 /nfs/dbraw/zinc/61/60/74/299616074.db2.gz HJUCOAFYFVMDQZ-ZQJOYCHOSA-N 1 1 322.390 1.917 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000076951554 406975527 /nfs/dbraw/zinc/97/55/27/406975527.db2.gz MABRLSLBUMBHOJ-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](CC)CCO)c([N+](=O)[O-])c1 ZINC000029839095 406927451 /nfs/dbraw/zinc/92/74/51/406927451.db2.gz BJSZBUFWFJJTAZ-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)CCO)c([N+](=O)[O-])c1 ZINC000029839095 406927454 /nfs/dbraw/zinc/92/74/54/406927454.db2.gz BJSZBUFWFJJTAZ-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000046952150 407067473 /nfs/dbraw/zinc/06/74/73/407067473.db2.gz WKGPRRHWSMEWIA-RYUDHWBXSA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000091081658 407177061 /nfs/dbraw/zinc/17/70/61/407177061.db2.gz JJCWLFCATOGALW-CYBMUJFWSA-N 1 1 304.354 1.968 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102486967 407323554 /nfs/dbraw/zinc/32/35/54/407323554.db2.gz IDMTWLYJRKIHBE-ZDUSSCGKSA-N 1 1 323.397 1.399 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123947477 407343460 /nfs/dbraw/zinc/34/34/60/407343460.db2.gz VCVGDZGAPWNQLO-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)C1 ZINC000123947477 407343461 /nfs/dbraw/zinc/34/34/61/407343461.db2.gz VCVGDZGAPWNQLO-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124497760 407360388 /nfs/dbraw/zinc/36/03/88/407360388.db2.gz ANOYWGXQRWWUGK-OCCSQVGLSA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@@H+](CCn1cccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000111283784 407406200 /nfs/dbraw/zinc/40/62/00/407406200.db2.gz MEZJVBQOJXDIDU-CQSZACIVSA-N 1 1 320.349 1.163 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CCO)CC1 ZINC000151695483 407478912 /nfs/dbraw/zinc/47/89/12/407478912.db2.gz BARNAEYXXAKOEA-UHFFFAOYSA-N 1 1 322.365 1.353 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185766172 407497355 /nfs/dbraw/zinc/49/73/55/407497355.db2.gz DSLONXRDFORPEW-LLVKDONJSA-N 1 1 315.395 1.603 20 5 DDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185774876 407499590 /nfs/dbraw/zinc/49/95/90/407499590.db2.gz SLAFDLLXCGXMLA-LLVKDONJSA-N 1 1 313.379 1.215 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccsc1 ZINC000270978322 407449229 /nfs/dbraw/zinc/44/92/29/407449229.db2.gz ILIGBWHJUZJLIU-VIFPVBQESA-N 1 1 309.351 1.412 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639936 407459472 /nfs/dbraw/zinc/45/94/72/407459472.db2.gz VNZGNYLUFWGRDA-NSHDSACASA-N 1 1 304.350 1.986 20 5 DDBDMO CC[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000151607644 407461847 /nfs/dbraw/zinc/46/18/47/407461847.db2.gz KUGKOFDVTOAAAR-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265807059 407463431 /nfs/dbraw/zinc/46/34/31/407463431.db2.gz PFCITIFFAKMQBN-LBPRGKRZSA-N 1 1 319.361 1.452 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000271321503 407635087 /nfs/dbraw/zinc/63/50/87/407635087.db2.gz OPOZDAHQBRXDEQ-UHFFFAOYSA-N 1 1 321.362 1.377 20 5 DDBDMO Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000266796832 407639628 /nfs/dbraw/zinc/63/96/28/407639628.db2.gz AUUDRUAKZWMOHQ-CYBMUJFWSA-N 1 1 306.366 1.457 20 5 DDBDMO O=C(NCC1=CC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186335487 407641274 /nfs/dbraw/zinc/64/12/74/407641274.db2.gz DSJKNCDVPIZFCI-UHFFFAOYSA-N 1 1 301.306 1.121 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115436478 407679634 /nfs/dbraw/zinc/67/96/34/407679634.db2.gz MPUZIVRAPKGMKM-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC[N@@H+](C)C1CC1 ZINC000186735233 407762821 /nfs/dbraw/zinc/76/28/21/407762821.db2.gz OQNMNVPVMCWNLU-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1nn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000179858446 407837646 /nfs/dbraw/zinc/83/76/46/407837646.db2.gz IFLRJGCOLSEDER-HNNXBMFYSA-N 1 1 316.361 1.519 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153745829 407895200 /nfs/dbraw/zinc/89/52/00/407895200.db2.gz YWBMAAQWCOMFIY-MRXNPFEDSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153745829 407895205 /nfs/dbraw/zinc/89/52/05/407895205.db2.gz YWBMAAQWCOMFIY-MRXNPFEDSA-N 1 1 319.361 1.954 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268213356 407953028 /nfs/dbraw/zinc/95/30/28/407953028.db2.gz AZOSRUCRJISFRS-GXTWGEPZSA-N 1 1 320.349 1.972 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272506527 407953712 /nfs/dbraw/zinc/95/37/12/407953712.db2.gz JHLUUSGATXIKIQ-ZYHUDNBSSA-N 1 1 307.350 1.855 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506527 407953717 /nfs/dbraw/zinc/95/37/17/407953717.db2.gz JHLUUSGATXIKIQ-ZYHUDNBSSA-N 1 1 307.350 1.855 20 5 DDBDMO CCOc1cccc(N2CCC[N@@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000181213381 407968842 /nfs/dbraw/zinc/96/88/42/407968842.db2.gz ODWRHMHBTQNTAA-UHFFFAOYSA-N 1 1 309.366 1.498 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCC[C@H]1O ZINC000272451898 407929371 /nfs/dbraw/zinc/92/93/71/407929371.db2.gz CHDQCEJBJNBSJL-GXTWGEPZSA-N 1 1 309.366 1.239 20 5 DDBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000175047675 408039308 /nfs/dbraw/zinc/03/93/08/408039308.db2.gz UFURRJWMHSDGLX-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO CCSCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245449879 407987505 /nfs/dbraw/zinc/98/75/05/407987505.db2.gz OCPWBMFZPPXVSR-WCQYABFASA-N 1 1 316.427 1.616 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189655498 408070596 /nfs/dbraw/zinc/07/05/96/408070596.db2.gz XXJNXROHGCNSKT-GOEBONIOSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245916108 408098360 /nfs/dbraw/zinc/09/83/60/408098360.db2.gz NBZYONFCINZDKK-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245916108 408098365 /nfs/dbraw/zinc/09/83/65/408098365.db2.gz NBZYONFCINZDKK-ABAIWWIYSA-N 1 1 307.350 1.769 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOCC12CCC2 ZINC000182229210 408099807 /nfs/dbraw/zinc/09/98/07/408099807.db2.gz JTJDLOAHIWSSTK-CYBMUJFWSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOCC12CCC2 ZINC000182229210 408099811 /nfs/dbraw/zinc/09/98/11/408099811.db2.gz JTJDLOAHIWSSTK-CYBMUJFWSA-N 1 1 322.361 1.589 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000182242286 408104203 /nfs/dbraw/zinc/10/42/03/408104203.db2.gz MXDVAMIGJIGSGO-ZDUSSCGKSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(O)C1 ZINC000245962869 408110607 /nfs/dbraw/zinc/11/06/07/408110607.db2.gz VCVGDZGAPWNQLO-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(O)C1 ZINC000245962869 408110608 /nfs/dbraw/zinc/11/06/08/408110608.db2.gz VCVGDZGAPWNQLO-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNc2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000140404439 408176768 /nfs/dbraw/zinc/17/67/68/408176768.db2.gz XYBBPFQOUZZIHP-GHMZBOCLSA-N 1 1 311.386 1.628 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3sccc3C2)nc1 ZINC000273611818 408265337 /nfs/dbraw/zinc/26/53/37/408265337.db2.gz MFKRHYWENVTSDT-UHFFFAOYSA-N 1 1 305.363 1.917 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCc3sccc3C2)nc1 ZINC000273611818 408265342 /nfs/dbraw/zinc/26/53/42/408265342.db2.gz MFKRHYWENVTSDT-UHFFFAOYSA-N 1 1 305.363 1.917 20 5 DDBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221418 408314903 /nfs/dbraw/zinc/31/49/03/408314903.db2.gz CHWIDDVXVJJSMS-ZDUSSCGKSA-N 1 1 323.397 1.420 20 5 DDBDMO Cc1nn(CCC(=O)NCC[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000263842596 408282709 /nfs/dbraw/zinc/28/27/09/408282709.db2.gz STVWGOXXIQWUBW-UHFFFAOYSA-N 1 1 309.370 1.009 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000269450452 408312851 /nfs/dbraw/zinc/31/28/51/408312851.db2.gz GENMOQIUBKNRMF-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171584554 162225980 /nfs/dbraw/zinc/22/59/80/162225980.db2.gz TYDHVVOLCGIPTR-LFAOLKIESA-N 1 1 301.346 1.915 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000173465905 162341438 /nfs/dbraw/zinc/34/14/38/162341438.db2.gz ASJVGUJWZUEBDQ-NSHDSACASA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000173465905 162341442 /nfs/dbraw/zinc/34/14/42/162341442.db2.gz ASJVGUJWZUEBDQ-NSHDSACASA-N 1 1 303.322 1.973 20 5 DDBDMO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247392343 408460715 /nfs/dbraw/zinc/46/07/15/408460715.db2.gz XGBSDKIGFSONRA-WCQYABFASA-N 1 1 313.423 1.933 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176969490 408487093 /nfs/dbraw/zinc/48/70/93/408487093.db2.gz VRQWHMARDLKRGF-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177198731 408550503 /nfs/dbraw/zinc/55/05/03/408550503.db2.gz SKEKEJPYNHMTPE-VXGBXAGGSA-N 1 1 319.361 1.715 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248620974 408599948 /nfs/dbraw/zinc/59/99/48/408599948.db2.gz MXOZXUWPJWJYAP-BXKDBHETSA-N 1 1 307.354 1.031 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248067806 408532539 /nfs/dbraw/zinc/53/25/39/408532539.db2.gz ZXCFQFNQFWDPJU-TZMCWYRMSA-N 1 1 318.377 1.733 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000264565780 408536506 /nfs/dbraw/zinc/53/65/06/408536506.db2.gz RJXAEXUGQGTIMW-GFCCVEGCSA-N 1 1 307.350 1.354 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177162548 408539292 /nfs/dbraw/zinc/53/92/92/408539292.db2.gz GXZLDTRBHQKFAE-MWLCHTKSSA-N 1 1 304.350 1.653 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000265354804 408623228 /nfs/dbraw/zinc/62/32/28/408623228.db2.gz CSOLSIFCWREYFP-UHFFFAOYSA-N 1 1 320.349 1.052 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000270763343 408673225 /nfs/dbraw/zinc/67/32/25/408673225.db2.gz NHDQNSUDHZQBON-NSHDSACASA-N 1 1 323.397 1.569 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000248858434 408648991 /nfs/dbraw/zinc/64/89/91/408648991.db2.gz ROBLWIBQQIZFCS-DRZSPHRISA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000248858434 408648996 /nfs/dbraw/zinc/64/89/96/408648996.db2.gz ROBLWIBQQIZFCS-DRZSPHRISA-N 1 1 308.338 1.065 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(O)C1 ZINC000177973305 408747400 /nfs/dbraw/zinc/74/74/00/408747400.db2.gz XSHDEPCOTZIPCC-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000185130825 408763480 /nfs/dbraw/zinc/76/34/80/408763480.db2.gz NBERQTNIEKNCIX-AXTRIDKLSA-N 1 1 315.333 1.280 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893491 408772518 /nfs/dbraw/zinc/77/25/18/408772518.db2.gz UMQOGJQANOALJJ-GHMZBOCLSA-N 1 1 323.397 1.487 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249893497 408772813 /nfs/dbraw/zinc/77/28/13/408772813.db2.gz UMQOGJQANOALJJ-MNOVXSKESA-N 1 1 323.397 1.487 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250945566 408779852 /nfs/dbraw/zinc/77/98/52/408779852.db2.gz BPBNUZPXEYORQG-UONOGXRCSA-N 1 1 319.361 1.496 20 5 DDBDMO CCOCCOCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276286604 408829085 /nfs/dbraw/zinc/82/90/85/408829085.db2.gz SJYWHWKXDLEOQW-OAHLLOKOSA-N 1 1 312.366 1.613 20 5 DDBDMO COCCN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190784557 163158420 /nfs/dbraw/zinc/15/84/20/163158420.db2.gz CXFUVDWHJJTQBD-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO COCCN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190784557 163158423 /nfs/dbraw/zinc/15/84/23/163158423.db2.gz CXFUVDWHJJTQBD-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908379 163165122 /nfs/dbraw/zinc/16/51/22/163165122.db2.gz DKEPZBCAXYRCFU-WOPDTQHZSA-N 1 1 307.350 1.482 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000192850308 163239989 /nfs/dbraw/zinc/23/99/89/163239989.db2.gz SIZREYNOWLVWSR-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000192850308 163239990 /nfs/dbraw/zinc/23/99/90/163239990.db2.gz SIZREYNOWLVWSR-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277396225 408933166 /nfs/dbraw/zinc/93/31/66/408933166.db2.gz DQDUQLOINNONDA-ZDUSSCGKSA-N 1 1 321.377 1.826 20 5 DDBDMO CCCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292080366 408975839 /nfs/dbraw/zinc/97/58/39/408975839.db2.gz FRANMXRXEIXELR-UHFFFAOYSA-N 1 1 322.365 1.655 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292149112 408989735 /nfs/dbraw/zinc/98/97/35/408989735.db2.gz IKAJFCQOXIRWOH-MRXNPFEDSA-N 1 1 319.361 1.528 20 5 DDBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037455 409055543 /nfs/dbraw/zinc/05/55/43/409055543.db2.gz BZOGZTXUHWQUBM-HOCLYGCPSA-N 1 1 324.377 1.441 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466458 409278181 /nfs/dbraw/zinc/27/81/81/409278181.db2.gz QPLPLBSECSBTNL-LBPRGKRZSA-N 1 1 317.349 1.694 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280291608 409286379 /nfs/dbraw/zinc/28/63/79/409286379.db2.gz FFEQEONMFCTILK-CQSZACIVSA-N 1 1 317.349 1.340 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000317845295 164029253 /nfs/dbraw/zinc/02/92/53/164029253.db2.gz YAJXIMXGAIDACF-WDEREUQCSA-N 1 1 309.370 1.166 20 5 DDBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347017735 164097355 /nfs/dbraw/zinc/09/73/55/164097355.db2.gz UVAAOQWECWAIQV-CYBMUJFWSA-N 1 1 319.361 1.912 20 5 DDBDMO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000342423407 409622331 /nfs/dbraw/zinc/62/23/31/409622331.db2.gz RDXKGXZGFCKXER-AWEZNQCLSA-N 1 1 317.320 1.920 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342471209 409657974 /nfs/dbraw/zinc/65/79/74/409657974.db2.gz WUPHNLZKBSKSRV-IINYFYTJSA-N 1 1 319.361 1.816 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475253 409663157 /nfs/dbraw/zinc/66/31/57/409663157.db2.gz RNUSOYXKEITLHJ-WFASDCNBSA-N 1 1 318.377 1.162 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000354405384 409833328 /nfs/dbraw/zinc/83/33/28/409833328.db2.gz UQPXDKDFALEWRQ-ZYHUDNBSSA-N 1 1 323.397 1.582 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000297169121 409836231 /nfs/dbraw/zinc/83/62/31/409836231.db2.gz PKYXVPFMHMMACH-JTQLQIEISA-N 1 1 305.338 1.604 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354379685 409809950 /nfs/dbraw/zinc/80/99/50/409809950.db2.gz CHBINFKHNOOXFL-NWDGAFQWSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000357308685 409967654 /nfs/dbraw/zinc/96/76/54/409967654.db2.gz WQTOKLLVZUTBRL-WDEREUQCSA-N 1 1 321.381 1.764 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332355527 410090478 /nfs/dbraw/zinc/09/04/78/410090478.db2.gz PVAOXFIMSDRNFB-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@H](C)C1 ZINC000332355527 410090485 /nfs/dbraw/zinc/09/04/85/410090485.db2.gz PVAOXFIMSDRNFB-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091605 410109150 /nfs/dbraw/zinc/10/91/50/410109150.db2.gz RZYJRFAKINTBDQ-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091605 410109158 /nfs/dbraw/zinc/10/91/58/410109158.db2.gz RZYJRFAKINTBDQ-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339395814 410158003 /nfs/dbraw/zinc/15/80/03/410158003.db2.gz LYMRGMPUKVYWSK-HZPDHXFCSA-N 1 1 305.378 1.890 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351826458 410267028 /nfs/dbraw/zinc/26/70/28/410267028.db2.gz KBFVHADWRBKBPM-QMTHXVAHSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000351833538 410274698 /nfs/dbraw/zinc/27/46/98/410274698.db2.gz IBQLKXZYPXFLEF-SNVBAGLBSA-N 1 1 315.320 1.371 20 5 DDBDMO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000351833538 410274703 /nfs/dbraw/zinc/27/47/03/410274703.db2.gz IBQLKXZYPXFLEF-SNVBAGLBSA-N 1 1 315.320 1.371 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000351779760 410229759 /nfs/dbraw/zinc/22/97/59/410229759.db2.gz KJRSNMHUEZBJHK-SKDRFNHKSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000351779760 410229765 /nfs/dbraw/zinc/22/97/65/410229765.db2.gz KJRSNMHUEZBJHK-SKDRFNHKSA-N 1 1 304.306 1.457 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC([NH+](C)C)C2)c1 ZINC000351913342 410331839 /nfs/dbraw/zinc/33/18/39/410331839.db2.gz QSNKBKFWPKQEMV-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000343511885 410502994 /nfs/dbraw/zinc/50/29/94/410502994.db2.gz JGHXPOMPNDTBTQ-GXFFZTMASA-N 1 1 307.350 1.816 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000355720617 410659821 /nfs/dbraw/zinc/65/98/21/410659821.db2.gz AJYYEXVYIDMIAQ-GFCCVEGCSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000355720617 410659827 /nfs/dbraw/zinc/65/98/27/410659827.db2.gz AJYYEXVYIDMIAQ-GFCCVEGCSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000301324762 410698283 /nfs/dbraw/zinc/69/82/83/410698283.db2.gz ACWCFPCQNVDJRL-XQQFMLRXSA-N 1 1 305.382 1.557 20 5 DDBDMO COC(=O)C(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337307868 410704125 /nfs/dbraw/zinc/70/41/25/410704125.db2.gz XAUFFFCALJPGLE-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO COC(=O)C(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337307868 410704129 /nfs/dbraw/zinc/70/41/29/410704129.db2.gz XAUFFFCALJPGLE-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555596 410726064 /nfs/dbraw/zinc/72/60/64/410726064.db2.gz KRSMRNGVPDYUGD-BPLDGKMQSA-N 1 1 308.382 1.664 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579883 410794227 /nfs/dbraw/zinc/79/42/27/410794227.db2.gz IIXFFANDUBLSPZ-NWDGAFQWSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCC[C@H](C)C1 ZINC000330586040 410801879 /nfs/dbraw/zinc/80/18/79/410801879.db2.gz SIRJJKNKNLOYKY-NWDGAFQWSA-N 1 1 308.382 1.784 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343914971 410804322 /nfs/dbraw/zinc/80/43/22/410804322.db2.gz WJUIARQZKPMYLV-SWLSCSKDSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599614 410814742 /nfs/dbraw/zinc/81/47/42/410814742.db2.gz ULMZLCIZBONOSL-NWDGAFQWSA-N 1 1 307.350 1.525 20 5 DDBDMO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000340586392 410860012 /nfs/dbraw/zinc/86/00/12/410860012.db2.gz WEAVPNZPWJMCKP-GFCCVEGCSA-N 1 1 324.381 1.400 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000356150100 410864330 /nfs/dbraw/zinc/86/43/30/410864330.db2.gz HTHWUJYCCXUDRA-MNOVXSKESA-N 1 1 309.370 1.179 20 5 DDBDMO CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000330602314 410817924 /nfs/dbraw/zinc/81/79/24/410817924.db2.gz FHKOUZBNQXMHOU-JSGCOSHPSA-N 1 1 323.393 1.577 20 5 DDBDMO CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000330602314 410817928 /nfs/dbraw/zinc/81/79/28/410817928.db2.gz FHKOUZBNQXMHOU-JSGCOSHPSA-N 1 1 323.393 1.577 20 5 DDBDMO COc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000356203258 410893994 /nfs/dbraw/zinc/89/39/94/410893994.db2.gz LLTGALCDHMZTNG-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486021 411022842 /nfs/dbraw/zinc/02/28/42/411022842.db2.gz WDZXCXDZNJVFJL-KPPDAEKUSA-N 1 1 323.349 1.386 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486021 411022847 /nfs/dbraw/zinc/02/28/47/411022847.db2.gz WDZXCXDZNJVFJL-KPPDAEKUSA-N 1 1 323.349 1.386 20 5 DDBDMO CNc1nccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000516313077 416721403 /nfs/dbraw/zinc/72/14/03/416721403.db2.gz JLFPRAAGGFUALY-SNVBAGLBSA-N 1 1 319.365 1.412 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373737046 418455216 /nfs/dbraw/zinc/45/52/16/418455216.db2.gz FMRWXBWBEOBUHG-QEJZJMRPSA-N 1 1 303.362 1.989 20 5 DDBDMO Cc1c(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000360529604 418457261 /nfs/dbraw/zinc/45/72/61/418457261.db2.gz RJWHICUKICXYSA-ZDUSSCGKSA-N 1 1 323.418 1.957 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027802 418569017 /nfs/dbraw/zinc/56/90/17/418569017.db2.gz ZUFJEMGAWFFTDD-SCZZXKLOSA-N 1 1 303.322 1.892 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194599765 222178757 /nfs/dbraw/zinc/17/87/57/222178757.db2.gz UUVIWUXSZDYOLS-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000367563094 418611385 /nfs/dbraw/zinc/61/13/85/418611385.db2.gz KEGFLVVEXWMUCH-NSHDSACASA-N 1 1 321.381 1.417 20 5 DDBDMO CO[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000361361758 418634151 /nfs/dbraw/zinc/63/41/51/418634151.db2.gz LEOWYXGZNRKKCI-GFCCVEGCSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000361361758 418634153 /nfs/dbraw/zinc/63/41/53/418634153.db2.gz LEOWYXGZNRKKCI-GFCCVEGCSA-N 1 1 304.306 1.866 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000361563857 418678809 /nfs/dbraw/zinc/67/88/09/418678809.db2.gz LMIMPQYUSNQCTM-DGCLKSJQSA-N 1 1 310.350 1.575 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000368063934 418683343 /nfs/dbraw/zinc/68/33/43/418683343.db2.gz OSKDVYXRDQEYCF-CMPLNLGQSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000368063934 418683346 /nfs/dbraw/zinc/68/33/46/418683346.db2.gz OSKDVYXRDQEYCF-CMPLNLGQSA-N 1 1 309.753 1.816 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])cn1)CC2 ZINC000368190756 418700703 /nfs/dbraw/zinc/70/07/03/418700703.db2.gz WLXGYWONQFVBCC-UHFFFAOYSA-N 1 1 304.350 1.690 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000362054580 418746017 /nfs/dbraw/zinc/74/60/17/418746017.db2.gz DLPUGEMOZJGPGX-ZDUSSCGKSA-N 1 1 320.393 1.928 20 5 DDBDMO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000370938556 418751815 /nfs/dbraw/zinc/75/18/15/418751815.db2.gz BFUBWUIXPRNQAS-NEXFUWMNSA-N 1 1 309.410 1.811 20 5 DDBDMO COc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422945643 227273740 /nfs/dbraw/zinc/27/37/40/227273740.db2.gz NOEDKENZSZCAOH-CYZMBNFOSA-N 1 1 309.366 1.445 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC000372497088 418877944 /nfs/dbraw/zinc/87/79/44/418877944.db2.gz OLBHUZGBJYGCOS-OWUUHHOZSA-N 1 1 307.354 1.365 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000365587280 418878879 /nfs/dbraw/zinc/87/88/79/418878879.db2.gz KLXZKYVHNKTIBK-JYJNAYRXSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000365587280 418878881 /nfs/dbraw/zinc/87/88/81/418878881.db2.gz KLXZKYVHNKTIBK-JYJNAYRXSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000365587280 418878882 /nfs/dbraw/zinc/87/88/82/418878882.db2.gz KLXZKYVHNKTIBK-JYJNAYRXSA-N 1 1 317.389 1.680 20 5 DDBDMO Cn1ccnc1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649780 418888890 /nfs/dbraw/zinc/88/88/90/418888890.db2.gz PKJXJYSQFHYCOI-LBPRGKRZSA-N 1 1 304.354 1.404 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426257555 419421211 /nfs/dbraw/zinc/42/12/11/419421211.db2.gz QCADBUBMOBOXEN-CYBMUJFWSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412081135 419635313 /nfs/dbraw/zinc/63/53/13/419635313.db2.gz WQYMILFRBVMOCY-GHMZBOCLSA-N 1 1 324.381 1.738 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412081135 419635323 /nfs/dbraw/zinc/63/53/23/419635323.db2.gz WQYMILFRBVMOCY-GHMZBOCLSA-N 1 1 324.381 1.738 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044273 419587306 /nfs/dbraw/zinc/58/73/06/419587306.db2.gz WPPMAFWQJZSQIP-COPLHBTASA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044273 419587314 /nfs/dbraw/zinc/58/73/14/419587314.db2.gz WPPMAFWQJZSQIP-COPLHBTASA-N 1 1 307.350 1.625 20 5 DDBDMO COCC[NH2+]CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423326010 420013421 /nfs/dbraw/zinc/01/34/21/420013421.db2.gz IWSCJUDQULLFTD-QWHCGFSZSA-N 1 1 311.386 1.101 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@H]2[C@H](C)CCN[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420364686 420239071 /nfs/dbraw/zinc/23/90/71/420239071.db2.gz KLBYWHVIRVIXEP-XHBSWPGZSA-N 1 1 323.393 1.958 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430946078 420219121 /nfs/dbraw/zinc/21/91/21/420219121.db2.gz YYXIOKUZANYTAX-TZMCWYRMSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416296638 420312438 /nfs/dbraw/zinc/31/24/38/420312438.db2.gz OHTONMABVRRVDZ-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416296638 420312443 /nfs/dbraw/zinc/31/24/43/420312443.db2.gz OHTONMABVRRVDZ-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416497969 420394086 /nfs/dbraw/zinc/39/40/86/420394086.db2.gz VOBXNCRWIKHSCA-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000416497971 420395878 /nfs/dbraw/zinc/39/58/78/420395878.db2.gz VOBXNCRWIKHSCA-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000302129112 230109503 /nfs/dbraw/zinc/10/95/03/230109503.db2.gz BLFYMHBPQLQYBH-NSHDSACASA-N 1 1 302.338 1.577 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444697969 230123063 /nfs/dbraw/zinc/12/30/63/230123063.db2.gz RIFCAGAKKRDMMC-KOLCDFICSA-N 1 1 322.287 1.427 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000444700027 230123438 /nfs/dbraw/zinc/12/34/38/230123438.db2.gz FOSHXCNRDUJYOA-MWLCHTKSSA-N 1 1 318.333 1.855 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000444700027 230123441 /nfs/dbraw/zinc/12/34/41/230123441.db2.gz FOSHXCNRDUJYOA-MWLCHTKSSA-N 1 1 318.333 1.855 20 5 DDBDMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450796042 420534600 /nfs/dbraw/zinc/53/46/00/420534600.db2.gz PZBKVXQGOHUXJR-TXEJJXNPSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450796042 420534603 /nfs/dbraw/zinc/53/46/03/420534603.db2.gz PZBKVXQGOHUXJR-TXEJJXNPSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635524 420605858 /nfs/dbraw/zinc/60/58/58/420605858.db2.gz RHUYMEFGDNFENO-TVYUQYBPSA-N 1 1 303.318 1.169 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000457084934 420605946 /nfs/dbraw/zinc/60/59/46/420605946.db2.gz GYFPFMFFXJUHHD-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000457084934 420605950 /nfs/dbraw/zinc/60/59/50/420605950.db2.gz GYFPFMFFXJUHHD-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457025254 420591106 /nfs/dbraw/zinc/59/11/06/420591106.db2.gz OKNJMQKQTVJGIY-NSHDSACASA-N 1 1 301.306 1.105 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000452068827 420619790 /nfs/dbraw/zinc/61/97/90/420619790.db2.gz PCPCWBCBKNHKGC-AAEUAGOBSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000443609995 420754070 /nfs/dbraw/zinc/75/40/70/420754070.db2.gz XKJYBYUQPBHYHJ-UHFFFAOYSA-N 1 1 321.381 1.798 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493298964 420813115 /nfs/dbraw/zinc/81/31/15/420813115.db2.gz ZTFULIUITSYUIV-SZZPACECSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493298964 420813120 /nfs/dbraw/zinc/81/31/20/420813120.db2.gz ZTFULIUITSYUIV-SZZPACECSA-N 1 1 319.361 1.133 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448795579 420898147 /nfs/dbraw/zinc/89/81/47/420898147.db2.gz PVCOYSPNGMSOIS-VIFPVBQESA-N 1 1 323.324 1.709 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455095375 420968185 /nfs/dbraw/zinc/96/81/85/420968185.db2.gz TWHJABRFRGVTEQ-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455095375 420968189 /nfs/dbraw/zinc/96/81/89/420968189.db2.gz TWHJABRFRGVTEQ-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO CCN1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1=O ZINC000449515626 421018299 /nfs/dbraw/zinc/01/82/99/421018299.db2.gz AJVAUVGFMAMHFS-NSHDSACASA-N 1 1 323.349 1.322 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717125 421108179 /nfs/dbraw/zinc/10/81/79/421108179.db2.gz KGBTXMSTHOJIKE-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724934 421108674 /nfs/dbraw/zinc/10/86/74/421108674.db2.gz AXHIHJCOCBBSEZ-QWRGUYRKSA-N 1 1 308.334 1.664 20 5 DDBDMO [NH3+]C[C@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449716771 421067514 /nfs/dbraw/zinc/06/75/14/421067514.db2.gz LYOUCWUVHBVEAY-IUCAKERBSA-N 1 1 303.322 1.328 20 5 DDBDMO Cc1nn(CCC(=O)NCC[N@@H+]2CC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000525291743 421284364 /nfs/dbraw/zinc/28/43/64/421284364.db2.gz PMBMTQZXEKMUEH-NSHDSACASA-N 1 1 323.397 1.256 20 5 DDBDMO CN1C(=O)C[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010345 421588123 /nfs/dbraw/zinc/58/81/23/421588123.db2.gz JOZYWROWBHFUFA-JSGCOSHPSA-N 1 1 317.345 1.532 20 5 DDBDMO CN1C(=O)C[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010345 421588125 /nfs/dbraw/zinc/58/81/25/421588125.db2.gz JOZYWROWBHFUFA-JSGCOSHPSA-N 1 1 317.345 1.532 20 5 DDBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000554835947 421662622 /nfs/dbraw/zinc/66/26/22/421662622.db2.gz RYDSPINPLVTZHL-NSHDSACASA-N 1 1 319.321 1.478 20 5 DDBDMO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000521114779 421773625 /nfs/dbraw/zinc/77/36/25/421773625.db2.gz JMPCYWCIZJSTEI-LBPRGKRZSA-N 1 1 307.350 1.214 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000557526595 421774089 /nfs/dbraw/zinc/77/40/89/421774089.db2.gz DQISNBKQKLVHFG-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000557526595 421774093 /nfs/dbraw/zinc/77/40/93/421774093.db2.gz DQISNBKQKLVHFG-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1C1CC1 ZINC000584383764 422299289 /nfs/dbraw/zinc/29/92/89/422299289.db2.gz PEOQRFYKDGKYIK-NXEZZACHSA-N 1 1 302.338 1.675 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596306832 422374109 /nfs/dbraw/zinc/37/41/09/422374109.db2.gz IQHTWZRORSKDSO-SNVBAGLBSA-N 1 1 321.381 1.621 20 5 DDBDMO NC(=O)c1cccc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000342165776 271328012 /nfs/dbraw/zinc/32/80/12/271328012.db2.gz RETLRAQEVTUOQL-UHFFFAOYSA-N 1 1 310.379 1.154 20 5 DDBDMO CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000342284090 271366022 /nfs/dbraw/zinc/36/60/22/271366022.db2.gz QVXIHJKLOCDFST-ZBEGNZNMSA-N 1 1 321.377 1.975 20 5 DDBDMO CCOc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000343257855 271704670 /nfs/dbraw/zinc/70/46/70/271704670.db2.gz ZPABDORABUNRBF-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419010342 274348789 /nfs/dbraw/zinc/34/87/89/274348789.db2.gz XSEZIOCNOCUCNK-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419010342 274348790 /nfs/dbraw/zinc/34/87/90/274348790.db2.gz XSEZIOCNOCUCNK-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452067093 274395663 /nfs/dbraw/zinc/39/56/63/274395663.db2.gz LWLHJQPXAYUXRN-BXUZGUMPSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000452067093 274395664 /nfs/dbraw/zinc/39/56/64/274395664.db2.gz LWLHJQPXAYUXRN-BXUZGUMPSA-N 1 1 319.361 1.187 20 5 DDBDMO NC(=O)c1ccc(Cn2c[nH+]c3c2CCCC3)c([N+](=O)[O-])c1 ZINC000295162489 274940581 /nfs/dbraw/zinc/94/05/81/274940581.db2.gz HBXUGSSIMKSZLG-UHFFFAOYSA-N 1 1 300.318 1.817 20 5 DDBDMO Nc1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000285800210 274964574 /nfs/dbraw/zinc/96/45/74/274964574.db2.gz YBMHPEVMFDIMNS-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CCN(c3[nH]cc[nH+]3)CC1)CCN2 ZINC000290921569 275038586 /nfs/dbraw/zinc/03/85/86/275038586.db2.gz IJRHQPZNFSHPGQ-UHFFFAOYSA-N 1 1 314.349 1.613 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)OC ZINC000291361922 276082231 /nfs/dbraw/zinc/08/22/31/276082231.db2.gz YXONXBDZDRNTPH-LBPRGKRZSA-N 1 1 321.377 1.841 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)OC ZINC000291361922 276082232 /nfs/dbraw/zinc/08/22/32/276082232.db2.gz YXONXBDZDRNTPH-LBPRGKRZSA-N 1 1 321.377 1.841 20 5 DDBDMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266132656 277113164 /nfs/dbraw/zinc/11/31/64/277113164.db2.gz ORMSAAOCDPFHDA-UHFFFAOYSA-N 1 1 306.322 1.303 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286989446 280188626 /nfs/dbraw/zinc/18/86/26/280188626.db2.gz GXVHQJYVZHKGAX-QWRGUYRKSA-N 1 1 307.354 1.325 20 5 DDBDMO NC(=O)c1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000439164829 295187669 /nfs/dbraw/zinc/18/76/69/295187669.db2.gz VAYSARCWEJJQDJ-UHFFFAOYSA-N 1 1 315.333 1.801 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000354011360 298338213 /nfs/dbraw/zinc/33/82/13/298338213.db2.gz ZQSLJQRFUFYQMJ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362287200 300044517 /nfs/dbraw/zinc/04/45/17/300044517.db2.gz OKAYVEIMXGJVHB-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363052876 300204599 /nfs/dbraw/zinc/20/45/99/300204599.db2.gz BFFUIIZGLKHCMK-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363052876 300204601 /nfs/dbraw/zinc/20/46/01/300204601.db2.gz BFFUIIZGLKHCMK-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363052876 300204604 /nfs/dbraw/zinc/20/46/04/300204604.db2.gz BFFUIIZGLKHCMK-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094666 300209405 /nfs/dbraw/zinc/20/94/05/300209405.db2.gz GGYUPMQZFODIRT-UONOGXRCSA-N 1 1 320.349 1.580 20 5 DDBDMO COc1cccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000368486705 301038991 /nfs/dbraw/zinc/03/89/91/301038991.db2.gz OVOOCYZDYUSQDC-NWDGAFQWSA-N 1 1 307.350 1.879 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587544 301058686 /nfs/dbraw/zinc/05/86/86/301058686.db2.gz DACMUPGTYLDVJN-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587544 301058687 /nfs/dbraw/zinc/05/86/87/301058687.db2.gz DACMUPGTYLDVJN-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587544 301058688 /nfs/dbraw/zinc/05/86/88/301058688.db2.gz DACMUPGTYLDVJN-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000536033835 303354191 /nfs/dbraw/zinc/35/41/91/303354191.db2.gz BTWOFIRRTHGLGH-CYBMUJFWSA-N 1 1 300.318 1.839 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000536033835 303354193 /nfs/dbraw/zinc/35/41/93/303354193.db2.gz BTWOFIRRTHGLGH-CYBMUJFWSA-N 1 1 300.318 1.839 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000373140637 307180274 /nfs/dbraw/zinc/18/02/74/307180274.db2.gz SGFOUCIBEMEBIX-UHFFFAOYSA-N 1 1 321.381 1.486 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375556966 307228032 /nfs/dbraw/zinc/22/80/32/307228032.db2.gz JOYQBGGLQJPEIC-OAHLLOKOSA-N 1 1 305.334 1.978 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000377645093 307275483 /nfs/dbraw/zinc/27/54/83/307275483.db2.gz BNGGDEYZRINVDP-HIFRSBDPSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377645093 307275484 /nfs/dbraw/zinc/27/54/84/307275484.db2.gz BNGGDEYZRINVDP-HIFRSBDPSA-N 1 1 315.377 1.863 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412036307 307298733 /nfs/dbraw/zinc/29/87/33/307298733.db2.gz MHNDMTOVROIHGC-WCFLWFBJSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412036307 307298734 /nfs/dbraw/zinc/29/87/34/307298734.db2.gz MHNDMTOVROIHGC-WCFLWFBJSA-N 1 1 321.377 1.933 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000583274242 337300045 /nfs/dbraw/zinc/30/00/45/337300045.db2.gz SGRSUNFMQXZCDT-TXEJJXNPSA-N 1 1 309.366 1.495 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000583274242 337300046 /nfs/dbraw/zinc/30/00/46/337300046.db2.gz SGRSUNFMQXZCDT-TXEJJXNPSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420997704 534260533 /nfs/dbraw/zinc/26/05/33/534260533.db2.gz BCLNCNVTXGJOHY-RISCZKNCSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420997704 534260535 /nfs/dbraw/zinc/26/05/35/534260535.db2.gz BCLNCNVTXGJOHY-RISCZKNCSA-N 1 1 319.361 1.329 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294983892 527795492 /nfs/dbraw/zinc/79/54/92/527795492.db2.gz SMEZGZBDECYNGT-UHFFFAOYSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1COC1 ZINC000451282151 528399574 /nfs/dbraw/zinc/39/95/74/528399574.db2.gz AYZZYFYRNRFGKW-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000331744406 528548286 /nfs/dbraw/zinc/54/82/86/528548286.db2.gz YFZFDLCICWNKPK-ZYHUDNBSSA-N 1 1 321.381 1.627 20 5 DDBDMO COCC[N@@H+](CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000113255358 696656516 /nfs/dbraw/zinc/65/65/16/696656516.db2.gz UWRWIGPCZBPAHP-UHFFFAOYSA-N 1 1 310.350 1.915 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2cccs2)CC1 ZINC000981137939 697015583 /nfs/dbraw/zinc/01/55/83/697015583.db2.gz HWCPNTWHDCNLJD-ZIAGYGMSSA-N 1 1 323.418 1.490 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCc2cccs2)CC1 ZINC000981137939 697015586 /nfs/dbraw/zinc/01/55/86/697015586.db2.gz HWCPNTWHDCNLJD-ZIAGYGMSSA-N 1 1 323.418 1.490 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCc2cccs2)CC1 ZINC000981137939 697015587 /nfs/dbraw/zinc/01/55/87/697015587.db2.gz HWCPNTWHDCNLJD-ZIAGYGMSSA-N 1 1 323.418 1.490 20 5 DDBDMO C[N@H+](C[C@@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000176096163 697401323 /nfs/dbraw/zinc/40/13/23/697401323.db2.gz FQKUCBQOQHYENE-JTQLQIEISA-N 1 1 307.306 1.429 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000176096163 697401325 /nfs/dbraw/zinc/40/13/25/697401325.db2.gz FQKUCBQOQHYENE-JTQLQIEISA-N 1 1 307.306 1.429 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000773195913 697726602 /nfs/dbraw/zinc/72/66/02/697726602.db2.gz BZXFWLJCBHRVEO-NSHDSACASA-N 1 1 306.366 1.700 20 5 DDBDMO CC(C)C1(O)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000773894839 697820256 /nfs/dbraw/zinc/82/02/56/697820256.db2.gz CDZCESJVRSYATO-CYBMUJFWSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000749964876 700195269 /nfs/dbraw/zinc/19/52/69/700195269.db2.gz RIJQUABPNXJQET-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000776582953 698121542 /nfs/dbraw/zinc/12/15/42/698121542.db2.gz XSCFOWVCVMUPSE-DZGCQCFKSA-N 1 1 322.361 1.713 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000776582957 698121643 /nfs/dbraw/zinc/12/16/43/698121643.db2.gz XSCFOWVCVMUPSE-UKRRQHHQSA-N 1 1 322.361 1.713 20 5 DDBDMO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000750066372 700202035 /nfs/dbraw/zinc/20/20/35/700202035.db2.gz ISYXXUOBHMDGHR-HOTGVXAUSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000750066372 700202037 /nfs/dbraw/zinc/20/20/37/700202037.db2.gz ISYXXUOBHMDGHR-HOTGVXAUSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000750066372 700202039 /nfs/dbraw/zinc/20/20/39/700202039.db2.gz ISYXXUOBHMDGHR-HOTGVXAUSA-N 1 1 305.378 1.797 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1OC ZINC000783745357 698873017 /nfs/dbraw/zinc/87/30/17/698873017.db2.gz WEEDQDLQHJCHEW-ABAIWWIYSA-N 1 1 308.334 1.426 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1OC ZINC000783745357 698873018 /nfs/dbraw/zinc/87/30/18/698873018.db2.gz WEEDQDLQHJCHEW-ABAIWWIYSA-N 1 1 308.334 1.426 20 5 DDBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000787960887 699261049 /nfs/dbraw/zinc/26/10/49/699261049.db2.gz IWOIXXZWNAFLFV-CQSZACIVSA-N 1 1 323.349 1.663 20 5 DDBDMO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000729185177 699473024 /nfs/dbraw/zinc/47/30/24/699473024.db2.gz MOHISKWHDUOOGP-SECBINFHSA-N 1 1 307.310 1.264 20 5 DDBDMO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000729185177 699473026 /nfs/dbraw/zinc/47/30/26/699473026.db2.gz MOHISKWHDUOOGP-SECBINFHSA-N 1 1 307.310 1.264 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000742239766 699869115 /nfs/dbraw/zinc/86/91/15/699869115.db2.gz HDANIGSDQGSUQR-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000761672044 700866620 /nfs/dbraw/zinc/86/66/20/700866620.db2.gz DVSRUBLHHKRWRS-UHFFFAOYSA-N 1 1 316.361 1.716 20 5 DDBDMO COCC[NH+](CCOC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764882294 700990162 /nfs/dbraw/zinc/99/01/62/700990162.db2.gz KTYGIYUXCDLSJI-UHFFFAOYSA-N 1 1 322.365 1.805 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768815886 701205784 /nfs/dbraw/zinc/20/57/84/701205784.db2.gz XOTHTWNSEIUGRQ-MRVPVSSYSA-N 1 1 305.381 1.029 20 5 DDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768815886 701205787 /nfs/dbraw/zinc/20/57/87/701205787.db2.gz XOTHTWNSEIUGRQ-MRVPVSSYSA-N 1 1 305.381 1.029 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699019 701788748 /nfs/dbraw/zinc/78/87/48/701788748.db2.gz UURHDVPYWKHEFK-DRPJVOAASA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699019 701788753 /nfs/dbraw/zinc/78/87/53/701788753.db2.gz UURHDVPYWKHEFK-DRPJVOAASA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699019 701788758 /nfs/dbraw/zinc/78/87/58/701788758.db2.gz UURHDVPYWKHEFK-DRPJVOAASA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1CCN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000840057949 701943151 /nfs/dbraw/zinc/94/31/51/701943151.db2.gz GRFKDHASNPDNQE-NSHDSACASA-N 1 1 307.354 1.254 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209646 706649826 /nfs/dbraw/zinc/64/98/26/706649826.db2.gz UOGOAHRHDBXVSX-ZYHUDNBSSA-N 1 1 320.349 1.307 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000840799352 702242022 /nfs/dbraw/zinc/24/20/22/702242022.db2.gz CNLRWCVZRRYAOT-MFKMUULPSA-N 1 1 306.391 1.928 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000840993564 702305660 /nfs/dbraw/zinc/30/56/60/702305660.db2.gz CDGQTUDCUGMLFL-SNVBAGLBSA-N 1 1 306.278 1.598 20 5 DDBDMO CC[NH2+]Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843225309 702846065 /nfs/dbraw/zinc/84/60/65/702846065.db2.gz GXLMTBQSAGEHIZ-UHFFFAOYSA-N 1 1 322.321 1.695 20 5 DDBDMO O=C1O[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CN1C1CC1 ZINC000844310616 703010347 /nfs/dbraw/zinc/01/03/47/703010347.db2.gz VIIYJGFZSWDQHV-ZDUSSCGKSA-N 1 1 317.345 1.936 20 5 DDBDMO O=C1O[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CN1C1CC1 ZINC000844310616 703010350 /nfs/dbraw/zinc/01/03/50/703010350.db2.gz VIIYJGFZSWDQHV-ZDUSSCGKSA-N 1 1 317.345 1.936 20 5 DDBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000847823020 703472802 /nfs/dbraw/zinc/47/28/02/703472802.db2.gz JJWQTJQZDWESGM-JTQLQIEISA-N 1 1 322.317 1.822 20 5 DDBDMO Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000848768322 703586332 /nfs/dbraw/zinc/58/63/32/703586332.db2.gz YIESHXNWJSDBPR-WDEREUQCSA-N 1 1 311.769 1.812 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852438600 704048921 /nfs/dbraw/zinc/04/89/21/704048921.db2.gz UKRGFROVVWLUJF-CYBMUJFWSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852438600 704048924 /nfs/dbraw/zinc/04/89/24/704048924.db2.gz UKRGFROVVWLUJF-CYBMUJFWSA-N 1 1 321.333 1.630 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000871153997 704232352 /nfs/dbraw/zinc/23/23/52/704232352.db2.gz YHKVOMYJXHTDJN-UHFFFAOYSA-N 1 1 309.370 1.124 20 5 DDBDMO CC(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCOCC1 ZINC000822317874 704915730 /nfs/dbraw/zinc/91/57/30/704915730.db2.gz UIEGDSBSRJUISC-ZDUSSCGKSA-N 1 1 315.414 1.295 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000823270916 705189851 /nfs/dbraw/zinc/18/98/51/705189851.db2.gz XYNNHTUNEOQRSE-LLVKDONJSA-N 1 1 320.305 1.906 20 5 DDBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836661 705193585 /nfs/dbraw/zinc/19/35/85/705193585.db2.gz HOCSLVMOBSCQKT-ZIAGYGMSSA-N 1 1 305.334 1.609 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836661 705193586 /nfs/dbraw/zinc/19/35/86/705193586.db2.gz HOCSLVMOBSCQKT-ZIAGYGMSSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000823932861 705340931 /nfs/dbraw/zinc/34/09/31/705340931.db2.gz GJWAVHLYRIVRFC-AOOOYVTPSA-N 1 1 307.354 1.733 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000823933353 705341805 /nfs/dbraw/zinc/34/18/05/705341805.db2.gz PIJNLFMEDBBLBV-OAHLLOKOSA-N 1 1 319.365 1.737 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000824020985 705357386 /nfs/dbraw/zinc/35/73/86/705357386.db2.gz FFQSJQMFCPCMCW-CYBMUJFWSA-N 1 1 319.361 1.103 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000824020985 705357390 /nfs/dbraw/zinc/35/73/90/705357390.db2.gz FFQSJQMFCPCMCW-CYBMUJFWSA-N 1 1 319.361 1.103 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825868755 705738743 /nfs/dbraw/zinc/73/87/43/705738743.db2.gz JQPSUFXAMOBOMK-CQSZACIVSA-N 1 1 309.366 1.476 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000826574040 705818435 /nfs/dbraw/zinc/81/84/35/705818435.db2.gz KPTBXFIEPGQNKN-BZUAXINKSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000826574040 705818439 /nfs/dbraw/zinc/81/84/39/705818439.db2.gz KPTBXFIEPGQNKN-BZUAXINKSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000826574040 705818443 /nfs/dbraw/zinc/81/84/43/705818443.db2.gz KPTBXFIEPGQNKN-BZUAXINKSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000826867947 705887407 /nfs/dbraw/zinc/88/74/07/705887407.db2.gz NOKKPJLUBYUDKS-NSHDSACASA-N 1 1 307.325 1.948 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000827675019 706047086 /nfs/dbraw/zinc/04/70/86/706047086.db2.gz NHDQVPLWNOXMCS-BXUZGUMPSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000827675019 706047090 /nfs/dbraw/zinc/04/70/90/706047090.db2.gz NHDQVPLWNOXMCS-BXUZGUMPSA-N 1 1 307.350 1.181 20 5 DDBDMO C[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000828905412 706253423 /nfs/dbraw/zinc/25/34/23/706253423.db2.gz WPIPNMOQBOVGAA-IAQYHMDHSA-N 1 1 319.361 1.395 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829337405 706320829 /nfs/dbraw/zinc/32/08/29/706320829.db2.gz GTIXNJDWGJTBGY-INIZCTEOSA-N 1 1 316.361 1.557 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000830110208 706456582 /nfs/dbraw/zinc/45/65/82/706456582.db2.gz BQSDJGYEUARYBU-SDJAHQOYSA-N 1 1 303.362 1.907 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292910 706491271 /nfs/dbraw/zinc/49/12/71/706491271.db2.gz UENYDHHNEJPHFK-XHSDSOJGSA-N 1 1 321.377 1.033 20 5 DDBDMO COC(=O)CC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880039117 706860267 /nfs/dbraw/zinc/86/02/67/706860267.db2.gz FSCFBCYKAPIKCZ-GFCCVEGCSA-N 1 1 310.354 1.457 20 5 DDBDMO O=C1CC2(CCC2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000880168537 706898928 /nfs/dbraw/zinc/89/89/28/706898928.db2.gz PCGOUVPSOHOBDF-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000880168537 706898931 /nfs/dbraw/zinc/89/89/31/706898931.db2.gz PCGOUVPSOHOBDF-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880296489 706932065 /nfs/dbraw/zinc/93/20/65/706932065.db2.gz BBXUTEXMNSHMDH-LLVKDONJSA-N 1 1 307.325 1.775 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880296489 706932067 /nfs/dbraw/zinc/93/20/67/706932067.db2.gz BBXUTEXMNSHMDH-LLVKDONJSA-N 1 1 307.325 1.775 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3C[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000872784928 707599978 /nfs/dbraw/zinc/59/99/78/707599978.db2.gz IAKQUZKYOKJKJE-BETUJISGSA-N 1 1 315.333 1.389 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837475163 707658790 /nfs/dbraw/zinc/65/87/90/707658790.db2.gz HFUJIGSGAJZUNG-CYBMUJFWSA-N 1 1 324.381 1.906 20 5 DDBDMO O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000838909188 708001286 /nfs/dbraw/zinc/00/12/86/708001286.db2.gz OFMQUDDFCASOBY-XBXGTLAGSA-N 1 1 324.308 1.754 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896915481 708181721 /nfs/dbraw/zinc/18/17/21/708181721.db2.gz YOBASGUYJRNKRT-BLLLJJGKSA-N 1 1 318.377 1.342 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897216831 708255991 /nfs/dbraw/zinc/25/59/91/708255991.db2.gz VTKMGRUDZGWOLA-STQMWFEESA-N 1 1 310.329 1.164 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221370 708259128 /nfs/dbraw/zinc/25/91/28/708259128.db2.gz MBDSGDKSQTZXHM-OLZOCXBDSA-N 1 1 323.397 1.155 20 5 DDBDMO CC(C)c1ccc(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912605424 713045160 /nfs/dbraw/zinc/04/51/60/713045160.db2.gz SLWBSEULWMYDNE-UHFFFAOYSA-N 1 1 323.393 1.714 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCn2nncc2C1 ZINC000886447576 708761919 /nfs/dbraw/zinc/76/19/19/708761919.db2.gz POGYMBBEVKMZJU-UHFFFAOYSA-N 1 1 303.322 1.601 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCn2nncc2C1 ZINC000886447576 708761920 /nfs/dbraw/zinc/76/19/20/708761920.db2.gz POGYMBBEVKMZJU-UHFFFAOYSA-N 1 1 303.322 1.601 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593765 708785895 /nfs/dbraw/zinc/78/58/95/708785895.db2.gz ZEDMTKURQILELG-NSHDSACASA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593765 708785898 /nfs/dbraw/zinc/78/58/98/708785898.db2.gz ZEDMTKURQILELG-NSHDSACASA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593765 708785900 /nfs/dbraw/zinc/78/59/00/708785900.db2.gz ZEDMTKURQILELG-NSHDSACASA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593765 708785901 /nfs/dbraw/zinc/78/59/01/708785901.db2.gz ZEDMTKURQILELG-NSHDSACASA-N 1 1 309.370 1.429 20 5 DDBDMO C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402447 709037449 /nfs/dbraw/zinc/03/74/49/709037449.db2.gz CDMRAWQHEIGACO-BXUZGUMPSA-N 1 1 307.350 1.145 20 5 DDBDMO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402447 709037450 /nfs/dbraw/zinc/03/74/50/709037450.db2.gz CDMRAWQHEIGACO-BXUZGUMPSA-N 1 1 307.350 1.145 20 5 DDBDMO C[C@@H](CNC(=O)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000887404417 709038036 /nfs/dbraw/zinc/03/80/36/709038036.db2.gz DSANOKYOTSGVIA-ZDUSSCGKSA-N 1 1 321.377 1.537 20 5 DDBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000912955507 713134754 /nfs/dbraw/zinc/13/47/54/713134754.db2.gz ZXUOSFXGNAXMOP-UHFFFAOYSA-N 1 1 321.377 1.826 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000912021302 711126507 /nfs/dbraw/zinc/12/65/07/711126507.db2.gz KCVDNBDOXQCWKG-TYNCELHUSA-N 1 1 321.377 1.569 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C(C)(C)C ZINC000912034947 711136559 /nfs/dbraw/zinc/13/65/59/711136559.db2.gz XBBUNZDAYKYBFT-CQSZACIVSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000928570537 713233069 /nfs/dbraw/zinc/23/30/69/713233069.db2.gz FIYMCBNFEKWUPM-CQSZACIVSA-N 1 1 303.362 1.837 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000928570537 713233070 /nfs/dbraw/zinc/23/30/70/713233070.db2.gz FIYMCBNFEKWUPM-CQSZACIVSA-N 1 1 303.362 1.837 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000894592610 711199025 /nfs/dbraw/zinc/19/90/25/711199025.db2.gz ZHDWVDQLUXHZTP-UHFFFAOYSA-N 1 1 321.299 1.974 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000895515980 711531403 /nfs/dbraw/zinc/53/14/03/711531403.db2.gz YRQDJJSKZNFNFG-PWSUYJOCSA-N 1 1 310.350 1.759 20 5 DDBDMO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000895737459 711590678 /nfs/dbraw/zinc/59/06/78/711590678.db2.gz VRHXZQUCZAELLD-NXEZZACHSA-N 1 1 319.365 1.290 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000895952777 711654581 /nfs/dbraw/zinc/65/45/81/711654581.db2.gz JIYDAUGFZBETCU-LLVKDONJSA-N 1 1 310.350 1.902 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[O-] ZINC000904420632 711855960 /nfs/dbraw/zinc/85/59/60/711855960.db2.gz CGSUPRXCJWJDDF-GXSJLCMTSA-N 1 1 311.769 1.995 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1[O-] ZINC000904420632 711855961 /nfs/dbraw/zinc/85/59/61/711855961.db2.gz CGSUPRXCJWJDDF-GXSJLCMTSA-N 1 1 311.769 1.995 20 5 DDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000930362848 713814104 /nfs/dbraw/zinc/81/41/04/713814104.db2.gz RDLFLNVSNMZAIS-JTQLQIEISA-N 1 1 309.391 1.998 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930441070 713835695 /nfs/dbraw/zinc/83/56/95/713835695.db2.gz QXWKVHMGTLHOKI-IJEWVQPXSA-N 1 1 306.362 1.873 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930619791 713878996 /nfs/dbraw/zinc/87/89/96/713878996.db2.gz HWKXEYHQRBSTKL-GFCCVEGCSA-N 1 1 321.381 1.606 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930619791 713878997 /nfs/dbraw/zinc/87/89/97/713878997.db2.gz HWKXEYHQRBSTKL-GFCCVEGCSA-N 1 1 321.381 1.606 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000931795097 714187016 /nfs/dbraw/zinc/18/70/16/714187016.db2.gz QZCRANOYTXTXLS-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279991 714295660 /nfs/dbraw/zinc/29/56/60/714295660.db2.gz VYIQEPVYYNYJPW-AWEZNQCLSA-N 1 1 309.366 1.018 20 5 DDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000932710165 714394960 /nfs/dbraw/zinc/39/49/60/714394960.db2.gz LFXLZLXKEMBGPC-VXGBXAGGSA-N 1 1 301.387 1.746 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935478838 715065807 /nfs/dbraw/zinc/06/58/07/715065807.db2.gz CKVRCRCFGAVDLZ-UHFFFAOYSA-N 1 1 309.341 1.875 20 5 DDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164664958 719386514 /nfs/dbraw/zinc/38/65/14/719386514.db2.gz DCKYTSDPZIORCL-WDEREUQCSA-N 1 1 312.757 1.471 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@H]21 ZINC001164668056 719389132 /nfs/dbraw/zinc/38/91/32/719389132.db2.gz PUMXRXNIQFDKDI-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950056132 720469866 /nfs/dbraw/zinc/46/98/66/720469866.db2.gz TZTPKWCRITZBMJ-ZIAGYGMSSA-N 1 1 309.410 1.621 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2cc([N+](=O)[O-])cc(Br)n2)C1 ZINC001167275579 732886081 /nfs/dbraw/zinc/88/60/81/732886081.db2.gz SRZDRVPMXBLYMH-ZETCQYMHSA-N 1 1 301.144 1.868 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776079 736853183 /nfs/dbraw/zinc/85/31/83/736853183.db2.gz WJMYQSCYHGAREQ-QMIVOQANSA-N 1 1 319.336 1.037 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776079 736853186 /nfs/dbraw/zinc/85/31/86/736853186.db2.gz WJMYQSCYHGAREQ-QMIVOQANSA-N 1 1 319.336 1.037 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776079 736853188 /nfs/dbraw/zinc/85/31/88/736853188.db2.gz WJMYQSCYHGAREQ-QMIVOQANSA-N 1 1 319.336 1.037 20 5 DDBDMO COc1nc(C)nc(NCc2ccc(N)[nH+]c2C)c1[N+](=O)[O-] ZINC001167781756 738340645 /nfs/dbraw/zinc/34/06/45/738340645.db2.gz NZVPRKDFWVXLJL-UHFFFAOYSA-N 1 1 304.310 1.600 20 5 DDBDMO N=C(NCCCC[NH3+])Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001167880288 739170747 /nfs/dbraw/zinc/17/07/47/739170747.db2.gz GHRPSVBPCWWVJM-UHFFFAOYSA-N 1 1 306.370 1.544 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208401 743782173 /nfs/dbraw/zinc/78/21/73/743782173.db2.gz KBTPCSOUHKYHAL-AAEUAGOBSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208401 743782171 /nfs/dbraw/zinc/78/21/71/743782171.db2.gz KBTPCSOUHKYHAL-AAEUAGOBSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208403 743782402 /nfs/dbraw/zinc/78/24/02/743782402.db2.gz KBTPCSOUHKYHAL-WCQYABFASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208403 743782403 /nfs/dbraw/zinc/78/24/03/743782403.db2.gz KBTPCSOUHKYHAL-WCQYABFASA-N 1 1 300.742 1.566 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001184065550 743956650 /nfs/dbraw/zinc/95/66/50/743956650.db2.gz IOJPHULCHZTONT-NSHDSACASA-N 1 1 324.333 1.694 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001184065550 743956651 /nfs/dbraw/zinc/95/66/51/743956651.db2.gz IOJPHULCHZTONT-NSHDSACASA-N 1 1 324.333 1.694 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc[nH]1 ZINC001031543973 746994945 /nfs/dbraw/zinc/99/49/45/746994945.db2.gz QGDZPJFOMNYXBT-UHFFFAOYSA-N 1 1 314.345 1.785 20 5 DDBDMO C[N@@H+]1CCc2c(NCCn3cnnc3)ccc([N+](=O)[O-])c2C1 ZINC001168876824 762096880 /nfs/dbraw/zinc/09/68/80/762096880.db2.gz ZWMDPMFHPVZTEX-UHFFFAOYSA-N 1 1 302.338 1.286 20 5 DDBDMO C[N@H+]1CCc2c(NCCn3cnnc3)ccc([N+](=O)[O-])c2C1 ZINC001168876824 762096887 /nfs/dbraw/zinc/09/68/87/762096887.db2.gz ZWMDPMFHPVZTEX-UHFFFAOYSA-N 1 1 302.338 1.286 20 5 DDBDMO O=C(c1ccco1)N1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037073 762192710 /nfs/dbraw/zinc/19/27/10/762192710.db2.gz IOZMOAPQUFWNIL-KGLIPLIRSA-N 1 1 321.377 1.873 20 5 DDBDMO Cc1noc(C2(C)CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC001169152038 762263146 /nfs/dbraw/zinc/26/31/46/762263146.db2.gz JDGKKIDNKXHPOD-UHFFFAOYSA-N 1 1 320.353 1.573 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050517455 763694218 /nfs/dbraw/zinc/69/42/18/763694218.db2.gz UJVXYQMJFJDOAS-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO COC(=O)CCN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156816771 763887635 /nfs/dbraw/zinc/88/76/35/763887635.db2.gz WEXCNIBQXRNUQX-FNORWQNLSA-N 1 1 308.338 1.521 20 5 DDBDMO CCC(=O)NCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096243318 768740441 /nfs/dbraw/zinc/74/04/41/768740441.db2.gz LHEONULKFVZQIQ-UHFFFAOYSA-N 1 1 320.393 1.633 20 5 DDBDMO CC(C)CCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001134195882 770745714 /nfs/dbraw/zinc/74/57/14/770745714.db2.gz NWRQZNIIWZQSGZ-UHFFFAOYSA-N 1 1 311.386 1.360 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@@H](N)CCC[NH3+] ZINC001170903441 771900979 /nfs/dbraw/zinc/90/09/79/771900979.db2.gz JVIIUOZPYXONNJ-LLVKDONJSA-N 1 1 316.745 1.470 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC001136342798 771942432 /nfs/dbraw/zinc/94/24/32/771942432.db2.gz DAPVWLKVVPPWIA-LLVKDONJSA-N 1 1 304.350 1.512 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093770969 775068141 /nfs/dbraw/zinc/06/81/41/775068141.db2.gz QZFFETPZNALTEG-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO O=[N+]([O-])CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001171560561 776343946 /nfs/dbraw/zinc/34/39/46/776343946.db2.gz IGURVWGPIZJVQR-HDJSIYSDSA-N 1 1 323.349 1.977 20 5 DDBDMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001171560561 776343961 /nfs/dbraw/zinc/34/39/61/776343961.db2.gz IGURVWGPIZJVQR-HDJSIYSDSA-N 1 1 323.349 1.977 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001173223385 777057025 /nfs/dbraw/zinc/05/70/25/777057025.db2.gz ZNSRRHMZRJZCMO-DAXOMENPSA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CCOCC1 ZINC001173228943 777062478 /nfs/dbraw/zinc/06/24/78/777062478.db2.gz OEXVEUBSWGYNDO-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO CC(=O)N(C)CC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001102409537 778120228 /nfs/dbraw/zinc/12/02/28/778120228.db2.gz GODOZILUEODERL-UHFFFAOYSA-N 1 1 320.393 1.504 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001178707907 779153390 /nfs/dbraw/zinc/15/33/90/779153390.db2.gz BNOWLZIDSRBKLY-CYBMUJFWSA-N 1 1 307.350 1.673 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001119977755 781703640 /nfs/dbraw/zinc/70/36/40/781703640.db2.gz SPEDRLQKIIRGGA-CYBMUJFWSA-N 1 1 306.366 1.385 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]([NH3+])CC(F)F)n2)n1C ZINC001326513950 861419755 /nfs/dbraw/zinc/41/97/55/861419755.db2.gz ZMOBLICSYHSALC-RXMQYKEDSA-N 1 1 302.241 1.342 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCC(C)(C)C(N)=O)ncc1[N+](=O)[O-] ZINC001156738744 863311193 /nfs/dbraw/zinc/31/11/93/863311193.db2.gz SUQICYWKXCOZAN-AATRIKPKSA-N 1 1 307.354 1.446 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157010083 863514653 /nfs/dbraw/zinc/51/46/53/863514653.db2.gz OGRWJRGDKWLRNA-GFCCVEGCSA-N 1 1 322.365 1.695 20 5 DDBDMO O=C(NCCC[NH2+]C/C=C/c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761386 864111469 /nfs/dbraw/zinc/11/14/69/864111469.db2.gz QDNNXRARWMYTDP-GMLRFVCHSA-N 1 1 303.362 1.461 20 5 DDBDMO CCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157766807 864116155 /nfs/dbraw/zinc/11/61/55/864116155.db2.gz AAAJLQUIKCMBOK-HUUCEWRRSA-N 1 1 305.378 1.510 20 5 DDBDMO Cc1ccc(CCC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767042 864118562 /nfs/dbraw/zinc/11/85/62/864118562.db2.gz FAFZFFWAVWIUBP-HZPDHXFCSA-N 1 1 319.405 1.689 20 5 DDBDMO C=CC(=O)NCCNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158835063 864927092 /nfs/dbraw/zinc/92/70/92/864927092.db2.gz LTLVAWZWPHAAMZ-VMPITWQZSA-N 1 1 305.338 1.236 20 5 DDBDMO Nc1nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160724460 866072055 /nfs/dbraw/zinc/07/20/55/866072055.db2.gz LBZZQSCCFPMECE-MNOVXSKESA-N 1 1 307.354 1.237 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333586571 866860782 /nfs/dbraw/zinc/86/07/82/866860782.db2.gz JZVGQGLLYKGAGR-MRXNPFEDSA-N 1 1 307.394 1.654 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225780381 882022859 /nfs/dbraw/zinc/02/28/59/882022859.db2.gz ZUZVSHISHOXUMI-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO Cc1nc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001324417765 867267845 /nfs/dbraw/zinc/26/78/45/867267845.db2.gz QKPXDKGHJYWEIR-ZDUSSCGKSA-N 1 1 321.381 1.384 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001334111554 867304621 /nfs/dbraw/zinc/30/46/21/867304621.db2.gz VQFUAHYIAXTKMY-NEPJUHHUSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C ZINC001334414896 867552998 /nfs/dbraw/zinc/55/29/98/867552998.db2.gz HROWKMAQGYJQLQ-ZDUSSCGKSA-N 1 1 320.393 1.187 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001322552433 868243166 /nfs/dbraw/zinc/24/31/66/868243166.db2.gz CVSLKDAHLTWUPF-ZDUSSCGKSA-N 1 1 308.382 1.633 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001336746988 869121865 /nfs/dbraw/zinc/12/18/65/869121865.db2.gz YVHFRIWNOPJHIM-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@@H+](C1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203810 869424002 /nfs/dbraw/zinc/42/40/02/869424002.db2.gz HEKYPVHCSAVGHH-SNVBAGLBSA-N 1 1 312.757 1.553 20 5 DDBDMO CC(C)[N@@H+](CCO)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001337971094 869722061 /nfs/dbraw/zinc/72/20/61/869722061.db2.gz PJBZTZDCUNQIQA-UHFFFAOYSA-N 1 1 322.409 1.909 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001166444186 870001332 /nfs/dbraw/zinc/00/13/32/870001332.db2.gz JRRINFJXYQBHHL-JTQLQIEISA-N 1 1 306.366 1.780 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC001347251250 874071998 /nfs/dbraw/zinc/07/19/98/874071998.db2.gz CLVWMWZJPNUHDJ-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO CC(C)[C@@H](C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC001347948130 874315411 /nfs/dbraw/zinc/31/54/11/874315411.db2.gz BQSWIDNVNOCYBB-AWEZNQCLSA-N 1 1 324.333 1.858 20 5 DDBDMO COC(=O)c1ccc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227297279 882958296 /nfs/dbraw/zinc/95/82/96/882958296.db2.gz BYLWJYGIUCPWHU-NSHDSACASA-N 1 1 317.301 1.972 20 5 DDBDMO COC(=O)c1ccc(CO[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223413080 880951204 /nfs/dbraw/zinc/95/12/04/880951204.db2.gz ILRIEJCUYIUGRM-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO O=c1[nH]cnc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228144380 883363821 /nfs/dbraw/zinc/36/38/21/883363821.db2.gz TVHKOZYBBPUDHK-GFCCVEGCSA-N 1 1 316.317 1.744 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001254553816 896499615 /nfs/dbraw/zinc/49/96/15/896499615.db2.gz ZQALIKTUIKTVQP-DAXOMENPSA-N 1 1 308.378 1.591 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001263094412 900493001 /nfs/dbraw/zinc/49/30/01/900493001.db2.gz GFABFLMPVFRACR-HNNXBMFYSA-N 1 1 320.393 1.921 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001263676061 900668324 /nfs/dbraw/zinc/66/83/24/900668324.db2.gz FYMXXAPGPJEQQC-NEPJUHHUSA-N 1 1 322.413 1.384 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@]12CC[N@@H+](C1)CCC2 ZINC001263859559 900776775 /nfs/dbraw/zinc/77/67/75/900776775.db2.gz QOHUUFBPXDIOBS-MRXNPFEDSA-N 1 1 303.362 1.739 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001316594238 903194851 /nfs/dbraw/zinc/19/48/51/903194851.db2.gz SBGABSMXPSVUPI-UHFFFAOYSA-N 1 1 308.382 1.489 20 5 DDBDMO COc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001295474643 915832988 /nfs/dbraw/zinc/83/29/88/915832988.db2.gz GKDJMSGNEMXKBT-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])CC2 ZINC000579242789 422733102 /nfs/dbraw/zinc/73/31/02/422733102.db2.gz LZLWRZXPUDCIRL-UHFFFAOYSA-N 1 1 319.365 1.272 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451925624 231236640 /nfs/dbraw/zinc/23/66/40/231236640.db2.gz LDZHPZPYBIMJSJ-OAHLLOKOSA-N 1 1 310.350 1.304 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250278 529485192 /nfs/dbraw/zinc/48/51/92/529485192.db2.gz DEJJOPRJGSIONL-SWLSCSKDSA-N 1 1 321.377 1.650 20 5 DDBDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452351189 231356705 /nfs/dbraw/zinc/35/67/05/231356705.db2.gz PHCQTEBMJXTKMZ-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1c(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000154024734 290659852 /nfs/dbraw/zinc/65/98/52/290659852.db2.gz NSXBPFQOMKQSSA-YRGRVCCFSA-N 1 1 324.377 1.752 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252013755 282208026 /nfs/dbraw/zinc/20/80/26/282208026.db2.gz XXJNXROHGCNSKT-ZBFHGGJFSA-N 1 1 324.377 1.571 20 5 DDBDMO CN1C(=O)CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000090027071 185278842 /nfs/dbraw/zinc/27/88/42/185278842.db2.gz QOFXAVUUFUQTFK-LLVKDONJSA-N 1 1 311.725 1.485 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425047011 529821936 /nfs/dbraw/zinc/82/19/36/529821936.db2.gz LWTXKYIIAAQFER-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO C[N@H+]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491874425 530053140 /nfs/dbraw/zinc/05/31/40/530053140.db2.gz VODGKKADEZEMHZ-GQCTYLIASA-N 1 1 307.325 1.911 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297137771 282369840 /nfs/dbraw/zinc/36/98/40/282369840.db2.gz UQFDSESQEWCHAB-YOGCLGLASA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000330780625 232062092 /nfs/dbraw/zinc/06/20/92/232062092.db2.gz XEMGCJOGLCJIGR-SECBINFHSA-N 1 1 307.354 1.017 20 5 DDBDMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612907 210014385 /nfs/dbraw/zinc/01/43/85/210014385.db2.gz ZPOUCBKJMFAFRX-JQWIXIFHSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612907 210014388 /nfs/dbraw/zinc/01/43/88/210014388.db2.gz ZPOUCBKJMFAFRX-JQWIXIFHSA-N 1 1 305.334 1.609 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048428426 352540000 /nfs/dbraw/zinc/54/00/00/352540000.db2.gz MXIZDPGZYJTROG-UHFFFAOYSA-N 1 1 307.350 1.389 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000177877265 186197507 /nfs/dbraw/zinc/19/75/07/186197507.db2.gz LSQFRHMNRDIBEM-NXEZZACHSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C ZINC000177877265 186197509 /nfs/dbraw/zinc/19/75/09/186197509.db2.gz LSQFRHMNRDIBEM-NXEZZACHSA-N 1 1 321.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172301748 198075187 /nfs/dbraw/zinc/07/51/87/198075187.db2.gz MQRJJVOQAJXYIA-OAHLLOKOSA-N 1 1 310.350 1.447 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000277188957 213354300 /nfs/dbraw/zinc/35/43/00/213354300.db2.gz BGMLLOKHGIBPEC-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000032267687 352276791 /nfs/dbraw/zinc/27/67/91/352276791.db2.gz GOQUXCYIENCYNE-NSHDSACASA-N 1 1 311.338 1.274 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355627878 290954148 /nfs/dbraw/zinc/95/41/48/290954148.db2.gz YBFUQPOHTXGAAF-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000331725255 234049092 /nfs/dbraw/zinc/04/90/92/234049092.db2.gz MPZRHBFUMSRBSC-QWRGUYRKSA-N 1 1 307.354 1.168 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000331773881 234107054 /nfs/dbraw/zinc/10/70/54/234107054.db2.gz KWJAWZSCYDCDRB-BPLDGKMQSA-N 1 1 308.382 1.807 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000172831562 198155588 /nfs/dbraw/zinc/15/55/88/198155588.db2.gz OLTQPEBYUCUXOC-LBPRGKRZSA-N 1 1 323.397 1.583 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000047145553 352484218 /nfs/dbraw/zinc/48/42/18/352484218.db2.gz LLENYMKGDNZZHQ-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000049983202 352560033 /nfs/dbraw/zinc/56/00/33/352560033.db2.gz GVTGPYVILGLHES-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000072714770 191221625 /nfs/dbraw/zinc/22/16/25/191221625.db2.gz SHHHIDOAQAZKLM-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000072714770 191221627 /nfs/dbraw/zinc/22/16/27/191221627.db2.gz SHHHIDOAQAZKLM-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CCCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000056283615 352765365 /nfs/dbraw/zinc/76/53/65/352765365.db2.gz RKLVOLOGROETPD-UHFFFAOYSA-N 1 1 308.382 1.929 20 5 DDBDMO C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057710414 352826030 /nfs/dbraw/zinc/82/60/30/352826030.db2.gz AVAGEZWSUPWORZ-LLVKDONJSA-N 1 1 307.350 1.573 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000057159661 352802389 /nfs/dbraw/zinc/80/23/89/352802389.db2.gz XIYBSZJHIJRCLO-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000066138049 352979040 /nfs/dbraw/zinc/97/90/40/352979040.db2.gz GUHNYHOFIIZCHO-LBPRGKRZSA-N 1 1 309.366 1.820 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000067413289 353047776 /nfs/dbraw/zinc/04/77/76/353047776.db2.gz WBUCLYVHMDQEET-OAHLLOKOSA-N 1 1 305.378 1.985 20 5 DDBDMO COc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c([N+](=O)[O-])c1 ZINC000173729837 198244863 /nfs/dbraw/zinc/24/48/63/198244863.db2.gz AVZRURFQWSUPBY-FUNVUKJBSA-N 1 1 322.361 1.970 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC000579315653 422743487 /nfs/dbraw/zinc/74/34/87/422743487.db2.gz YQADQXKTAWVFIN-CQSZACIVSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC000579315653 422743483 /nfs/dbraw/zinc/74/34/83/422743483.db2.gz YQADQXKTAWVFIN-CQSZACIVSA-N 1 1 314.345 1.664 20 5 DDBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NC1CC1 ZINC000174245968 198310461 /nfs/dbraw/zinc/31/04/61/198310461.db2.gz CDRSYAVYHBUUHQ-UHFFFAOYSA-N 1 1 319.361 1.717 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741738 353327707 /nfs/dbraw/zinc/32/77/07/353327707.db2.gz AFSOFAUEUNBHOT-CYBMUJFWSA-N 1 1 321.425 1.984 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)O ZINC000075746052 353378906 /nfs/dbraw/zinc/37/89/06/353378906.db2.gz OZMIXTAJZCXHCS-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)O ZINC000075746052 353378909 /nfs/dbraw/zinc/37/89/09/353378909.db2.gz OZMIXTAJZCXHCS-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203728 353505169 /nfs/dbraw/zinc/50/51/69/353505169.db2.gz DUQVIHZZTVSCAF-QJPTWQEYSA-N 1 1 305.334 1.744 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078404030 353515270 /nfs/dbraw/zinc/51/52/70/353515270.db2.gz ZFHASLKTCWNFDD-CYBMUJFWSA-N 1 1 306.366 1.457 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000078523754 353520322 /nfs/dbraw/zinc/52/03/22/353520322.db2.gz ARSVCAWDEXPHCO-AWEZNQCLSA-N 1 1 321.377 1.690 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000077990383 353500493 /nfs/dbraw/zinc/50/04/93/353500493.db2.gz BCRVLCQVOBYTBJ-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083217007 353708331 /nfs/dbraw/zinc/70/83/31/353708331.db2.gz ZIBXUOZFOJZCET-SNVBAGLBSA-N 1 1 318.333 1.823 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108298462 353949358 /nfs/dbraw/zinc/94/93/58/353949358.db2.gz MEFMCXJHEGMDSU-CYBMUJFWSA-N 1 1 321.381 1.090 20 5 DDBDMO NC(=O)N[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270623443 354408158 /nfs/dbraw/zinc/40/81/58/354408158.db2.gz KHPOTJDWTHBITP-NSHDSACASA-N 1 1 308.338 1.106 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000589510629 354997954 /nfs/dbraw/zinc/99/79/54/354997954.db2.gz BIRNOFJFECCVKQ-WCQYABFASA-N 1 1 322.361 1.974 20 5 DDBDMO COc1ccc(OCCN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000590010308 355038900 /nfs/dbraw/zinc/03/89/00/355038900.db2.gz AUZNHXZRCRARHM-DOMZBBRYSA-N 1 1 321.377 1.618 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403324 355085425 /nfs/dbraw/zinc/08/54/25/355085425.db2.gz KSBNHEGZLQRNQW-KOLCDFICSA-N 1 1 309.370 1.435 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590578390 355119604 /nfs/dbraw/zinc/11/96/04/355119604.db2.gz QGXVUBXBHPFXAY-NSHDSACASA-N 1 1 322.365 1.554 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442882 355096368 /nfs/dbraw/zinc/09/63/68/355096368.db2.gz HRYNJIYFQBPIJK-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442882 355096370 /nfs/dbraw/zinc/09/63/70/355096370.db2.gz HRYNJIYFQBPIJK-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590442882 355096372 /nfs/dbraw/zinc/09/63/72/355096372.db2.gz HRYNJIYFQBPIJK-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000590445470 355098902 /nfs/dbraw/zinc/09/89/02/355098902.db2.gz MYSYZPLZJCWVOV-BONVTDFDSA-N 1 1 314.345 1.852 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591136852 355253444 /nfs/dbraw/zinc/25/34/44/355253444.db2.gz MCVCAIJETWOSNT-LBPRGKRZSA-N 1 1 312.345 1.898 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893465 355414785 /nfs/dbraw/zinc/41/47/85/355414785.db2.gz YKEJWFKTCDVTSV-WDEREUQCSA-N 1 1 307.354 1.231 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593062201 355784042 /nfs/dbraw/zinc/78/40/42/355784042.db2.gz CDPHQUFCFPNGCX-NWDGAFQWSA-N 1 1 323.349 1.005 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593065151 355784661 /nfs/dbraw/zinc/78/46/61/355784661.db2.gz YAVSHMWGQFVLHK-BPLDGKMQSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593065151 355784666 /nfs/dbraw/zinc/78/46/66/355784666.db2.gz YAVSHMWGQFVLHK-BPLDGKMQSA-N 1 1 324.377 1.834 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117431 355804644 /nfs/dbraw/zinc/80/46/44/355804644.db2.gz NEKHSHXTSGFEIB-CYBMUJFWSA-N 1 1 311.288 1.925 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594065805 356104101 /nfs/dbraw/zinc/10/41/01/356104101.db2.gz UZHSQUVKMKCUQO-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1(=O)=O ZINC000594973895 356367078 /nfs/dbraw/zinc/36/70/78/356367078.db2.gz GGCMOLCDQFDRBM-WCBMZHEXSA-N 1 1 304.393 1.712 20 5 DDBDMO Cc1noc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595330795 356452233 /nfs/dbraw/zinc/45/22/33/356452233.db2.gz PBBCCGYUZLFZTK-CYBMUJFWSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595330795 356452235 /nfs/dbraw/zinc/45/22/35/356452235.db2.gz PBBCCGYUZLFZTK-CYBMUJFWSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595299527 356439166 /nfs/dbraw/zinc/43/91/66/356439166.db2.gz TUYQJYCZMIRWKZ-ZDUSSCGKSA-N 1 1 324.381 1.578 20 5 DDBDMO CCN1CC[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373217 356469430 /nfs/dbraw/zinc/46/94/30/356469430.db2.gz YPFNLAJVTUIKPC-DGCLKSJQSA-N 1 1 319.365 1.097 20 5 DDBDMO CCN1CC[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373217 356469435 /nfs/dbraw/zinc/46/94/35/356469435.db2.gz YPFNLAJVTUIKPC-DGCLKSJQSA-N 1 1 319.365 1.097 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081522083 192281337 /nfs/dbraw/zinc/28/13/37/192281337.db2.gz LURJJRARIKCLPW-LLVKDONJSA-N 1 1 307.350 1.552 20 5 DDBDMO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000595551445 356546743 /nfs/dbraw/zinc/54/67/43/356546743.db2.gz LZMGPXFKDXOHES-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595546124 356541727 /nfs/dbraw/zinc/54/17/27/356541727.db2.gz WPJZJQDJRHTGPG-UHFFFAOYSA-N 1 1 310.329 1.627 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595659801 356596570 /nfs/dbraw/zinc/59/65/70/356596570.db2.gz AOZLARFOVZVIAH-OAHLLOKOSA-N 1 1 310.350 1.447 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595838738 356673318 /nfs/dbraw/zinc/67/33/18/356673318.db2.gz VHVLNKQLXHPJTC-UKRRQHHQSA-N 1 1 308.382 1.664 20 5 DDBDMO N[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595907501 356701124 /nfs/dbraw/zinc/70/11/24/356701124.db2.gz WBOYCXSEPOGKJV-CHWSQXEVSA-N 1 1 310.329 1.295 20 5 DDBDMO Cn1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000597574946 357234001 /nfs/dbraw/zinc/23/40/01/357234001.db2.gz JEJUEPKJRNKHDZ-MNOVXSKESA-N 1 1 310.329 1.192 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597716752 357299886 /nfs/dbraw/zinc/29/98/86/357299886.db2.gz UBISLZBRIGFCEI-OAHLLOKOSA-N 1 1 321.381 1.044 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597859537 357361433 /nfs/dbraw/zinc/36/14/33/357361433.db2.gz FFAVXBWBFWLNAE-LLVKDONJSA-N 1 1 306.366 1.840 20 5 DDBDMO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597945948 357394280 /nfs/dbraw/zinc/39/42/80/357394280.db2.gz KYAIOCCKIRDARM-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598041818 357439679 /nfs/dbraw/zinc/43/96/79/357439679.db2.gz NKCTVYMJVXRVRV-LLVKDONJSA-N 1 1 309.370 1.193 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598220003 357497434 /nfs/dbraw/zinc/49/74/34/357497434.db2.gz NFWKKIKPUQUAJA-LLVKDONJSA-N 1 1 321.381 1.465 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000599682010 358023093 /nfs/dbraw/zinc/02/30/93/358023093.db2.gz UZRNMGLGOOXPKT-SGIREYDYSA-N 1 1 319.361 1.769 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600228808 358163250 /nfs/dbraw/zinc/16/32/50/358163250.db2.gz FQVFCKDQQLXMGG-NSHDSACASA-N 1 1 307.354 1.455 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600694605 358284869 /nfs/dbraw/zinc/28/48/69/358284869.db2.gz JZBAJWASLKPXID-VIFPVBQESA-N 1 1 307.306 1.148 20 5 DDBDMO Cc1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000601956009 358752339 /nfs/dbraw/zinc/75/23/39/358752339.db2.gz CUHUQJRFIBYCII-INIZCTEOSA-N 1 1 316.361 1.737 20 5 DDBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602770037 359177873 /nfs/dbraw/zinc/17/78/73/359177873.db2.gz SRYOTZMEKIPJKB-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000602837062 359228025 /nfs/dbraw/zinc/22/80/25/359228025.db2.gz SSLCJSSRUCPKKP-BFHYXJOUSA-N 1 1 308.382 1.844 20 5 DDBDMO CC[NH+]1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197505 /nfs/dbraw/zinc/19/75/05/359197505.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[NH+]1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197509 /nfs/dbraw/zinc/19/75/09/359197509.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197513 /nfs/dbraw/zinc/19/75/13/359197513.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197516 /nfs/dbraw/zinc/19/75/16/359197516.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197518 /nfs/dbraw/zinc/19/75/18/359197518.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197522 /nfs/dbraw/zinc/19/75/22/359197522.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 1 1 309.414 1.762 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820572 359215924 /nfs/dbraw/zinc/21/59/24/359215924.db2.gz GTRVUIILGWYCTH-LBPRGKRZSA-N 1 1 323.397 1.013 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000602831139 359223503 /nfs/dbraw/zinc/22/35/03/359223503.db2.gz ZCKKLFJEWGBIME-SWLSCSKDSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000602831139 359223509 /nfs/dbraw/zinc/22/35/09/359223509.db2.gz ZCKKLFJEWGBIME-SWLSCSKDSA-N 1 1 324.381 1.370 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000186776642 200008256 /nfs/dbraw/zinc/00/82/56/200008256.db2.gz UTJPAYKJUOKOTB-UHFFFAOYSA-N 1 1 322.321 1.669 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609279535 360285738 /nfs/dbraw/zinc/28/57/38/360285738.db2.gz FIPKBVPJLJVMKN-CYBMUJFWSA-N 1 1 322.365 1.827 20 5 DDBDMO Cc1cnc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284013 360408511 /nfs/dbraw/zinc/40/85/11/360408511.db2.gz YNDDSZDYEABKAX-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1cnc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284013 360408512 /nfs/dbraw/zinc/40/85/12/360408512.db2.gz YNDDSZDYEABKAX-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000610522707 360460864 /nfs/dbraw/zinc/46/08/64/360460864.db2.gz RHCFFBOTYLBCPH-LLVKDONJSA-N 1 1 304.350 1.391 20 5 DDBDMO O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762618 360531051 /nfs/dbraw/zinc/53/10/51/360531051.db2.gz GUAXHQIEJUSUCF-OCCSQVGLSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762618 360531057 /nfs/dbraw/zinc/53/10/57/360531057.db2.gz GUAXHQIEJUSUCF-OCCSQVGLSA-N 1 1 301.346 1.968 20 5 DDBDMO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899188 360566217 /nfs/dbraw/zinc/56/62/17/360566217.db2.gz DTBTYTVAZKCQIQ-GWCFXTLKSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899188 360566222 /nfs/dbraw/zinc/56/62/22/360566222.db2.gz DTBTYTVAZKCQIQ-GWCFXTLKSA-N 1 1 308.338 1.435 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611268421 360683789 /nfs/dbraw/zinc/68/37/89/360683789.db2.gz LNIPCCMFWJOJDE-JKSUJKDBSA-N 1 1 321.377 1.331 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619574252 364067885 /nfs/dbraw/zinc/06/78/85/364067885.db2.gz LKWHLJZCHSUKJP-GHMZBOCLSA-N 1 1 313.354 1.915 20 5 DDBDMO Cc1cccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874033 364170199 /nfs/dbraw/zinc/17/01/99/364170199.db2.gz WWHKUUKURIORCJ-ZDUSSCGKSA-N 1 1 318.377 1.023 20 5 DDBDMO COc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275457183 212347347 /nfs/dbraw/zinc/34/73/47/212347347.db2.gz HHUPTGOQJMQTIH-LBPRGKRZSA-N 1 1 323.393 1.885 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275318033 212267540 /nfs/dbraw/zinc/26/75/40/212267540.db2.gz DBEZBKQSBIIHDR-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275318033 212267543 /nfs/dbraw/zinc/26/75/43/212267543.db2.gz DBEZBKQSBIIHDR-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000566405767 304150736 /nfs/dbraw/zinc/15/07/36/304150736.db2.gz DKMBXOYKMPWNJV-UHFFFAOYSA-N 1 1 309.370 1.471 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000282538873 217072645 /nfs/dbraw/zinc/07/26/45/217072645.db2.gz VWWODLAKRZJBRA-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](c2ccccc2)C1 ZINC000351486887 284337193 /nfs/dbraw/zinc/33/71/93/284337193.db2.gz YJPGXAFELDWRIB-JSGCOSHPSA-N 1 1 314.345 1.751 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266105827 205102429 /nfs/dbraw/zinc/10/24/29/205102429.db2.gz GQLVYCFXFFJJFY-ZDUSSCGKSA-N 1 1 323.397 1.514 20 5 DDBDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288343464 220095332 /nfs/dbraw/zinc/09/53/32/220095332.db2.gz JXMCWJSRBAIJOQ-RISCZKNCSA-N 1 1 319.361 1.999 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267514991 206117878 /nfs/dbraw/zinc/11/78/78/206117878.db2.gz JZQMYRUNRYZSAO-LBPRGKRZSA-N 1 1 306.366 1.980 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423964888 296226360 /nfs/dbraw/zinc/22/63/60/296226360.db2.gz HHSXPPZZRVYPBP-HNNXBMFYSA-N 1 1 312.329 1.777 20 5 DDBDMO Cc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284432067 218025112 /nfs/dbraw/zinc/02/51/12/218025112.db2.gz SBADETLVKFJRMB-KBPBESRZSA-N 1 1 307.394 1.790 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000285352549 218393814 /nfs/dbraw/zinc/39/38/14/218393814.db2.gz ACFUCHFWQHXUSX-CHWSQXEVSA-N 1 1 323.349 1.387 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000110997427 194379801 /nfs/dbraw/zinc/37/98/01/194379801.db2.gz DROLEYLIEPHDLP-LBPRGKRZSA-N 1 1 306.366 1.902 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340590703 251127407 /nfs/dbraw/zinc/12/74/07/251127407.db2.gz GIXNUUIIVGICJX-ZDUSSCGKSA-N 1 1 314.345 1.927 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCOCC2)C2CC2)c1 ZINC000269097511 207238178 /nfs/dbraw/zinc/23/81/78/207238178.db2.gz PCOUZQNYJMDOKW-UHFFFAOYSA-N 1 1 305.378 1.891 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000341106287 251383319 /nfs/dbraw/zinc/38/33/19/251383319.db2.gz WKAZQVMWPSDXQI-VXGBXAGGSA-N 1 1 306.366 1.321 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(N)=O)C(C)C ZINC000063483184 184282948 /nfs/dbraw/zinc/28/29/48/184282948.db2.gz ILCSLNAYCMLVCJ-UHFFFAOYSA-N 1 1 322.365 1.428 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065761226 184379076 /nfs/dbraw/zinc/37/90/76/184379076.db2.gz OZNOBUJGUHRTRN-XQQFMLRXSA-N 1 1 323.397 1.274 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352436694 285049675 /nfs/dbraw/zinc/04/96/75/285049675.db2.gz IVIPMDGUAWXOQP-UHFFFAOYSA-N 1 1 323.349 1.785 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000451251777 533014558 /nfs/dbraw/zinc/01/45/58/533014558.db2.gz WFJJIYDBKWWKAD-UHFFFAOYSA-N 1 1 312.366 1.933 20 5 DDBDMO Cn1ccc(N2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2=O)n1 ZINC000360091406 299590882 /nfs/dbraw/zinc/59/08/82/299590882.db2.gz CYCVJEIZYCGLCL-JTQLQIEISA-N 1 1 321.362 1.285 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482051 221006174 /nfs/dbraw/zinc/00/61/74/221006174.db2.gz RVDLJZZBSPQZCO-PWSUYJOCSA-N 1 1 317.349 1.947 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289910705 221310422 /nfs/dbraw/zinc/31/04/22/221310422.db2.gz NZQNURMNBIGENK-NSHDSACASA-N 1 1 310.745 1.588 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289910705 221310424 /nfs/dbraw/zinc/31/04/24/221310424.db2.gz NZQNURMNBIGENK-NSHDSACASA-N 1 1 310.745 1.588 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305770782 533327796 /nfs/dbraw/zinc/32/77/96/533327796.db2.gz XYLPSRHELDHNNT-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305770782 533327803 /nfs/dbraw/zinc/32/78/03/533327803.db2.gz XYLPSRHELDHNNT-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529276 533667179 /nfs/dbraw/zinc/66/71/79/533667179.db2.gz LJMHPMTVSDYRGR-UWVGGRQHSA-N 1 1 309.370 1.477 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068338285 406634630 /nfs/dbraw/zinc/63/46/30/406634630.db2.gz VHQUPZQBELGFHM-SECBINFHSA-N 1 1 312.345 1.776 20 5 DDBDMO CC(C)C[C@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549256 407169974 /nfs/dbraw/zinc/16/99/74/407169974.db2.gz NQWBLBJJQMGUKX-AWEZNQCLSA-N 1 1 309.366 1.503 20 5 DDBDMO CC(C)C[C@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549256 407169976 /nfs/dbraw/zinc/16/99/76/407169976.db2.gz NQWBLBJJQMGUKX-AWEZNQCLSA-N 1 1 309.366 1.503 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094092972 407203482 /nfs/dbraw/zinc/20/34/82/407203482.db2.gz QNIBGXHAXHSODY-UHFFFAOYSA-N 1 1 323.393 1.828 20 5 DDBDMO COCCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458502 407273665 /nfs/dbraw/zinc/27/36/65/407273665.db2.gz UHXNEDNMPBVDQG-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO COCCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458502 407273667 /nfs/dbraw/zinc/27/36/67/407273667.db2.gz UHXNEDNMPBVDQG-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000171057118 407581225 /nfs/dbraw/zinc/58/12/25/407581225.db2.gz LRUNNCWECWHQJY-UHFFFAOYSA-N 1 1 309.322 1.992 20 5 DDBDMO CCn1nccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128906195 407581856 /nfs/dbraw/zinc/58/18/56/407581856.db2.gz YCWFUIOBRDWHSB-LBPRGKRZSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1nccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128906195 407581866 /nfs/dbraw/zinc/58/18/66/407581866.db2.gz YCWFUIOBRDWHSB-LBPRGKRZSA-N 1 1 316.365 1.893 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCOC1 ZINC000178756397 407586004 /nfs/dbraw/zinc/58/60/04/407586004.db2.gz XZCLADODYOWOBH-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989491 407525545 /nfs/dbraw/zinc/52/55/45/407525545.db2.gz RSLZBGNXMYPYJE-ZDUSSCGKSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000218989491 407525552 /nfs/dbraw/zinc/52/55/52/407525552.db2.gz RSLZBGNXMYPYJE-ZDUSSCGKSA-N 1 1 312.801 1.584 20 5 DDBDMO CC[N@@H+](CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171157236 407614647 /nfs/dbraw/zinc/61/46/47/407614647.db2.gz GANBQKAXVOHQBM-UHFFFAOYSA-N 1 1 306.366 1.878 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000171400807 407680853 /nfs/dbraw/zinc/68/08/53/407680853.db2.gz HWXXAUTWDDQSKM-LBPRGKRZSA-N 1 1 309.370 1.009 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152821544 407698894 /nfs/dbraw/zinc/69/88/94/407698894.db2.gz XVMUNMUJUVJSFZ-LBPRGKRZSA-N 1 1 309.341 1.877 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354279708 298391543 /nfs/dbraw/zinc/39/15/43/298391543.db2.gz CTRXGBHZSNVOCK-JTQLQIEISA-N 1 1 311.363 1.110 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000354279708 298391545 /nfs/dbraw/zinc/39/15/45/298391545.db2.gz CTRXGBHZSNVOCK-JTQLQIEISA-N 1 1 311.363 1.110 20 5 DDBDMO C[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000272107413 407777649 /nfs/dbraw/zinc/77/76/49/407777649.db2.gz MUDWPPDSMKLHGD-QWHCGFSZSA-N 1 1 320.393 1.408 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550519 407857634 /nfs/dbraw/zinc/85/76/34/407857634.db2.gz YXRJVUHWJAOUHU-ZYHUDNBSSA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1cc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153623293 407864543 /nfs/dbraw/zinc/86/45/43/407864543.db2.gz KZRKFLOZAOBYCW-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153623293 407864549 /nfs/dbraw/zinc/86/45/49/407864549.db2.gz KZRKFLOZAOBYCW-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO C[N@@H+](CCOCC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268118590 407897903 /nfs/dbraw/zinc/89/79/03/407897903.db2.gz NKVCYIWJGIUSIX-HNNXBMFYSA-N 1 1 324.377 1.693 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180572156 407900792 /nfs/dbraw/zinc/90/07/92/407900792.db2.gz XUWGZLGPGZBXMH-UHFFFAOYSA-N 1 1 318.337 1.287 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000272405189 407904530 /nfs/dbraw/zinc/90/45/30/407904530.db2.gz IJTGVNUTMDESHV-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248141 407967523 /nfs/dbraw/zinc/96/75/23/407967523.db2.gz WKVDDGCYFPWOSJ-IAQYHMDHSA-N 1 1 303.362 1.736 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189431028 408014801 /nfs/dbraw/zinc/01/48/01/408014801.db2.gz HBKFPJNVPUCTFB-CQSZACIVSA-N 1 1 321.421 1.914 20 5 DDBDMO CC(=O)N1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000182168468 408084784 /nfs/dbraw/zinc/08/47/84/408084784.db2.gz QTBFLMKBFIRMJT-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(=O)N1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000182168468 408084788 /nfs/dbraw/zinc/08/47/88/408084788.db2.gz QTBFLMKBFIRMJT-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000189729015 408094135 /nfs/dbraw/zinc/09/41/35/408094135.db2.gz XDLXHRCTTREPRC-CYBMUJFWSA-N 1 1 310.350 1.711 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246250960 408192854 /nfs/dbraw/zinc/19/28/54/408192854.db2.gz SXDVPVAYEIDZFY-GHMZBOCLSA-N 1 1 322.365 1.236 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000246726278 408324908 /nfs/dbraw/zinc/32/49/08/408324908.db2.gz AHUMEXGWCLDOTE-BXKDBHETSA-N 1 1 324.356 1.775 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156657749 408269139 /nfs/dbraw/zinc/26/91/39/408269139.db2.gz XVVBGWZJJHHFBW-HNNXBMFYSA-N 1 1 305.378 1.938 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269432753 408307887 /nfs/dbraw/zinc/30/78/87/408307887.db2.gz CIWNUFWVEGQKAL-ONGXEEELSA-N 1 1 321.381 1.654 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197074 408348926 /nfs/dbraw/zinc/34/89/26/408348926.db2.gz MVDYXJUNXOXCFN-VXGBXAGGSA-N 1 1 310.350 1.685 20 5 DDBDMO CS[C@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246849180 408353035 /nfs/dbraw/zinc/35/30/35/408353035.db2.gz OZUOWPPISNWEDN-OLZOCXBDSA-N 1 1 314.411 1.370 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209100 408355524 /nfs/dbraw/zinc/35/55/24/408355524.db2.gz IIRBZIFUPCGPBY-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209100 408355527 /nfs/dbraw/zinc/35/55/27/408355527.db2.gz IIRBZIFUPCGPBY-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000176935082 408479533 /nfs/dbraw/zinc/47/95/33/408479533.db2.gz WLBDONHHXDRCQM-ONGXEEELSA-N 1 1 309.370 1.339 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183822879 408496329 /nfs/dbraw/zinc/49/63/29/408496329.db2.gz TZTPTFSNRTYHRA-UHFFFAOYSA-N 1 1 316.365 1.399 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475401 408507678 /nfs/dbraw/zinc/50/76/78/408507678.db2.gz YPJSBOZDQBIYQZ-WFASDCNBSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475401 408507679 /nfs/dbraw/zinc/50/76/79/408507679.db2.gz YPJSBOZDQBIYQZ-WFASDCNBSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475570 408577147 /nfs/dbraw/zinc/57/71/47/408577147.db2.gz XUDAERMVVUVILN-FRRDWIJNSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475570 408577151 /nfs/dbraw/zinc/57/71/51/408577151.db2.gz XUDAERMVVUVILN-FRRDWIJNSA-N 1 1 310.350 1.444 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265198927 408577823 /nfs/dbraw/zinc/57/78/23/408577823.db2.gz JEBJVJMMWMFVBJ-UHFFFAOYSA-N 1 1 307.394 1.873 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248525012 408580797 /nfs/dbraw/zinc/58/07/97/408580797.db2.gz CMCIEMWMFLZBEV-GRYCIOLGSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000275543580 408596513 /nfs/dbraw/zinc/59/65/13/408596513.db2.gz QSMHCDNDPOAZEW-CYBMUJFWSA-N 1 1 321.381 1.271 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000192782712 408646988 /nfs/dbraw/zinc/64/69/88/408646988.db2.gz LIAJAQUQUVLQKS-LBPRGKRZSA-N 1 1 320.393 1.867 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000162614658 408718728 /nfs/dbraw/zinc/71/87/28/408718728.db2.gz VQSOVEMHNMHAQT-NSHDSACASA-N 1 1 309.370 1.416 20 5 DDBDMO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000162614658 408718736 /nfs/dbraw/zinc/71/87/36/408718736.db2.gz VQSOVEMHNMHAQT-NSHDSACASA-N 1 1 309.370 1.416 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000162614658 408718740 /nfs/dbraw/zinc/71/87/40/408718740.db2.gz VQSOVEMHNMHAQT-NSHDSACASA-N 1 1 309.370 1.416 20 5 DDBDMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000193631207 408734220 /nfs/dbraw/zinc/73/42/20/408734220.db2.gz UUCCKLGTUCMREL-TXEJJXNPSA-N 1 1 309.341 1.736 20 5 DDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000181389863 162790041 /nfs/dbraw/zinc/79/00/41/162790041.db2.gz RKKWXNARCDVBRN-CQSZACIVSA-N 1 1 315.333 1.115 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275818373 408686646 /nfs/dbraw/zinc/68/66/46/408686646.db2.gz HAABJYCUUPBSPW-HAQNSBGRSA-N 1 1 307.350 1.769 20 5 DDBDMO CCc1ccc([C@H](COC)[NH2+]CCn2ccc([N+](=O)[O-])n2)o1 ZINC000184794198 408690912 /nfs/dbraw/zinc/69/09/12/408690912.db2.gz ITPBTXHVQGWQDD-LBPRGKRZSA-N 1 1 308.338 1.924 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251842404 408786718 /nfs/dbraw/zinc/78/67/18/408786718.db2.gz OCWBEPSFWGQKRI-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](C)(O)C1 ZINC000177973288 408747437 /nfs/dbraw/zinc/74/74/37/408747437.db2.gz XSHDEPCOTZIPCC-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177980357 408750721 /nfs/dbraw/zinc/75/07/21/408750721.db2.gz GQFVRRIOOBUKTL-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185170899 408773190 /nfs/dbraw/zinc/77/31/90/408773190.db2.gz RNNXSXOCVFASRQ-OAHLLOKOSA-N 1 1 308.334 1.465 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185170899 408773192 /nfs/dbraw/zinc/77/31/92/408773192.db2.gz RNNXSXOCVFASRQ-OAHLLOKOSA-N 1 1 308.334 1.465 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000250112837 408775775 /nfs/dbraw/zinc/77/57/75/408775775.db2.gz MTEDCFXTRIGYGB-TZMCWYRMSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000250112837 408775780 /nfs/dbraw/zinc/77/57/80/408775780.db2.gz MTEDCFXTRIGYGB-TZMCWYRMSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857042 408877636 /nfs/dbraw/zinc/87/76/36/408877636.db2.gz IJSILTPKOHRNOT-XJKSGUPXSA-N 1 1 305.378 1.890 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000276309839 408832845 /nfs/dbraw/zinc/83/28/45/408832845.db2.gz OFYNUDMOKQMMHB-KGLIPLIRSA-N 1 1 304.350 1.534 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285912851 408887801 /nfs/dbraw/zinc/88/78/01/408887801.db2.gz ZECFFXYIXNLSNO-NSHDSACASA-N 1 1 309.370 1.416 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285924739 408889526 /nfs/dbraw/zinc/88/95/26/408889526.db2.gz UPXWZPNTQUWKED-KBPBESRZSA-N 1 1 323.324 1.279 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000277362752 408926294 /nfs/dbraw/zinc/92/62/94/408926294.db2.gz CJCZBOOHZVEHTQ-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193626939 163261664 /nfs/dbraw/zinc/26/16/64/163261664.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193626939 163261667 /nfs/dbraw/zinc/26/16/67/163261667.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000194712306 163293873 /nfs/dbraw/zinc/29/38/73/163293873.db2.gz PJYZLSJTGKKXSW-LBPRGKRZSA-N 1 1 306.366 1.607 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277550127 408963270 /nfs/dbraw/zinc/96/32/70/408963270.db2.gz IUPAXSBNKIGCAB-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC(N)=O ZINC000286439179 408985636 /nfs/dbraw/zinc/98/56/36/408985636.db2.gz LQPVVIXMQYEURG-VIFPVBQESA-N 1 1 319.321 1.513 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC(N)=O ZINC000286439179 408985639 /nfs/dbraw/zinc/98/56/39/408985639.db2.gz LQPVVIXMQYEURG-VIFPVBQESA-N 1 1 319.321 1.513 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293315081 409087397 /nfs/dbraw/zinc/08/73/97/409087397.db2.gz FQJOTUBRKVGDKM-XQQFMLRXSA-N 1 1 320.393 1.946 20 5 DDBDMO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106472 409324405 /nfs/dbraw/zinc/32/44/05/409324405.db2.gz VODZDWMWYRMMNU-HZMBPMFUSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106472 409324414 /nfs/dbraw/zinc/32/44/14/409324414.db2.gz VODZDWMWYRMMNU-HZMBPMFUSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295154636 409348671 /nfs/dbraw/zinc/34/86/71/409348671.db2.gz DBCHNWJTOAYGBP-CQSZACIVSA-N 1 1 311.313 1.134 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296075452 409421106 /nfs/dbraw/zinc/42/11/06/409421106.db2.gz CYMPETPSDHLOHQ-CYBMUJFWSA-N 1 1 322.365 1.563 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000295389570 409462599 /nfs/dbraw/zinc/46/25/99/409462599.db2.gz HMWSHXVDZWYLHV-ZDUSSCGKSA-N 1 1 307.350 1.171 20 5 DDBDMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056018 164211604 /nfs/dbraw/zinc/21/16/04/164211604.db2.gz ZXDBQFPOGNWTQW-QWRGUYRKSA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056018 164211606 /nfs/dbraw/zinc/21/16/06/164211606.db2.gz ZXDBQFPOGNWTQW-QWRGUYRKSA-N 1 1 307.354 1.027 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000290690850 409488895 /nfs/dbraw/zinc/48/88/95/409488895.db2.gz UZRNJANFBAZVFL-GFCCVEGCSA-N 1 1 311.386 1.418 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)n1 ZINC000285594903 409502734 /nfs/dbraw/zinc/50/27/34/409502734.db2.gz PGTGLWLFVMFPPE-LLVKDONJSA-N 1 1 322.287 1.571 20 5 DDBDMO CNC(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000344919661 409553473 /nfs/dbraw/zinc/55/34/73/409553473.db2.gz CXBYFKRAGPWNFT-RYWCDNDXSA-N 1 1 304.350 1.611 20 5 DDBDMO CNC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000344919661 409553478 /nfs/dbraw/zinc/55/34/78/409553478.db2.gz CXBYFKRAGPWNFT-RYWCDNDXSA-N 1 1 304.350 1.611 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000338073916 409696102 /nfs/dbraw/zinc/69/61/02/409696102.db2.gz RELNXQSOCGSKHP-ZDUSSCGKSA-N 1 1 323.397 1.338 20 5 DDBDMO CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1CC ZINC000297054974 409780587 /nfs/dbraw/zinc/78/05/87/409780587.db2.gz IQCSLXYDYAOSLT-ZDUSSCGKSA-N 1 1 323.397 1.630 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000332024445 409811034 /nfs/dbraw/zinc/81/10/34/409811034.db2.gz ZYTCQYXWZHDMCZ-ARFHVFGLSA-N 1 1 306.362 1.957 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000332024445 409811037 /nfs/dbraw/zinc/81/10/37/409811037.db2.gz ZYTCQYXWZHDMCZ-ARFHVFGLSA-N 1 1 306.362 1.957 20 5 DDBDMO COCCC[N@@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297126082 409817423 /nfs/dbraw/zinc/81/74/23/409817423.db2.gz MUYPSMWXMWJPKZ-UHFFFAOYSA-N 1 1 307.354 1.851 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357425035 410033621 /nfs/dbraw/zinc/03/36/21/410033621.db2.gz RNABGSZGIMXGOO-OLZOCXBDSA-N 1 1 321.377 1.963 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239812 410006719 /nfs/dbraw/zinc/00/67/19/410006719.db2.gz IOIPQZRZMLZKKB-UWVGGRQHSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239812 410006725 /nfs/dbraw/zinc/00/67/25/410006725.db2.gz IOIPQZRZMLZKKB-UWVGGRQHSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239812 410006728 /nfs/dbraw/zinc/00/67/28/410006728.db2.gz IOIPQZRZMLZKKB-UWVGGRQHSA-N 1 1 317.349 1.684 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354859299 410134044 /nfs/dbraw/zinc/13/40/44/410134044.db2.gz OPGIGVBZXVYBJY-OAHLLOKOSA-N 1 1 308.334 1.267 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354859299 410134050 /nfs/dbraw/zinc/13/40/50/410134050.db2.gz OPGIGVBZXVYBJY-OAHLLOKOSA-N 1 1 308.334 1.267 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCC[N@@H+]1CC=CCC1 ZINC000357621986 410144026 /nfs/dbraw/zinc/14/40/26/410144026.db2.gz POCSZOWYGWNORM-UHFFFAOYSA-N 1 1 307.325 1.655 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000298505825 410263447 /nfs/dbraw/zinc/26/34/47/410263447.db2.gz KSAFKPCFOSDHRG-LBPRGKRZSA-N 1 1 323.349 1.418 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(OCCO)CC3)nc2c1 ZINC000339777861 410451663 /nfs/dbraw/zinc/45/16/63/410451663.db2.gz CMQQVNBFXVXTIS-UHFFFAOYSA-N 1 1 321.333 1.709 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358408007 410460819 /nfs/dbraw/zinc/46/08/19/410460819.db2.gz GOLHVTBXCIUCER-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299082761 410515021 /nfs/dbraw/zinc/51/50/21/410515021.db2.gz SJGDPFMKMXLCLH-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352186865 410534767 /nfs/dbraw/zinc/53/47/67/410534767.db2.gz OJQDLPLIFVPMMG-KGLIPLIRSA-N 1 1 310.350 1.445 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)c1[N+](=O)[O-] ZINC000343631477 410581954 /nfs/dbraw/zinc/58/19/54/410581954.db2.gz QSWQWNMAIKWAQM-NSHDSACASA-N 1 1 323.397 1.875 20 5 DDBDMO CN(C)c1cc[nH+]c(NCCNc2ccccc2[N+](=O)[O-])n1 ZINC000301697261 410774493 /nfs/dbraw/zinc/77/44/93/410774493.db2.gz QKVPKZSIAMCYGE-UHFFFAOYSA-N 1 1 302.338 1.975 20 5 DDBDMO COc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935491 410832847 /nfs/dbraw/zinc/83/28/47/410832847.db2.gz RLDRMVVBQWTPIS-YMTOWFKASA-N 1 1 313.329 1.874 20 5 DDBDMO COc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935491 410832851 /nfs/dbraw/zinc/83/28/51/410832851.db2.gz RLDRMVVBQWTPIS-YMTOWFKASA-N 1 1 313.329 1.874 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709285 410849445 /nfs/dbraw/zinc/84/94/45/410849445.db2.gz DDRCDJFGXZZMDV-VXGBXAGGSA-N 1 1 316.365 1.558 20 5 DDBDMO C[C@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080046 410934602 /nfs/dbraw/zinc/93/46/02/410934602.db2.gz XGQMVQPEAGSVAE-OCCSQVGLSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000331080046 410934606 /nfs/dbraw/zinc/93/46/06/410934606.db2.gz XGQMVQPEAGSVAE-OCCSQVGLSA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344070165 410936048 /nfs/dbraw/zinc/93/60/48/410936048.db2.gz QCESWHXJBJBEJF-OBJOEFQTSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344070165 410936054 /nfs/dbraw/zinc/93/60/54/410936054.db2.gz QCESWHXJBJBEJF-OBJOEFQTSA-N 1 1 319.361 1.544 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000348484800 410983503 /nfs/dbraw/zinc/98/35/03/410983503.db2.gz NCCSWJLPUDIGFA-UHFFFAOYSA-N 1 1 319.340 1.790 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353765113 411125156 /nfs/dbraw/zinc/12/51/56/411125156.db2.gz GIJMQPCQSQUTCD-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@H]1CC[N@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353765113 411125157 /nfs/dbraw/zinc/12/51/57/411125157.db2.gz GIJMQPCQSQUTCD-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353765113 411125158 /nfs/dbraw/zinc/12/51/58/411125158.db2.gz GIJMQPCQSQUTCD-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000600314884 416618200 /nfs/dbraw/zinc/61/82/00/416618200.db2.gz QHCJHOWBDQSUPR-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374018912 418483912 /nfs/dbraw/zinc/48/39/12/418483912.db2.gz QCDWTCAAEFIBHI-VNHYZAJKSA-N 1 1 324.381 1.450 20 5 DDBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374018912 418483916 /nfs/dbraw/zinc/48/39/16/418483916.db2.gz QCDWTCAAEFIBHI-VNHYZAJKSA-N 1 1 324.381 1.450 20 5 DDBDMO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000366556504 418490108 /nfs/dbraw/zinc/49/01/08/418490108.db2.gz PODIHHXYWOPHCI-GFCCVEGCSA-N 1 1 315.333 1.343 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000194361042 418543291 /nfs/dbraw/zinc/54/32/91/418543291.db2.gz BZMPORYJMHIJSV-OLZOCXBDSA-N 1 1 310.350 1.181 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000375053879 418596028 /nfs/dbraw/zinc/59/60/28/418596028.db2.gz IJANSJJBAVLURK-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262702 418614641 /nfs/dbraw/zinc/61/46/41/418614641.db2.gz OOIHAIMKVUPMRK-JOYOIKCWSA-N 1 1 303.322 1.629 20 5 DDBDMO O=C1[C@H]([N@@H+]2C[C@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316760 418627538 /nfs/dbraw/zinc/62/75/38/418627538.db2.gz ZHMWGBYYEFISPT-KGLIPLIRSA-N 1 1 317.345 1.157 20 5 DDBDMO O=C1[C@H]([N@H+]2C[C@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316760 418627541 /nfs/dbraw/zinc/62/75/41/418627541.db2.gz ZHMWGBYYEFISPT-KGLIPLIRSA-N 1 1 317.345 1.157 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000367811328 418637521 /nfs/dbraw/zinc/63/75/21/418637521.db2.gz CYHWRNKCNWUEDY-TXEJJXNPSA-N 1 1 319.361 1.688 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367982415 418668066 /nfs/dbraw/zinc/66/80/66/418668066.db2.gz JEHRQCUPTWCVQO-LLVKDONJSA-N 1 1 323.349 1.180 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@H]21 ZINC000408465702 418804081 /nfs/dbraw/zinc/80/40/81/418804081.db2.gz KQRUTQQRNIPUHA-YGRLFVJLSA-N 1 1 314.345 1.852 20 5 DDBDMO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372839449 418907202 /nfs/dbraw/zinc/90/72/02/418907202.db2.gz OOYWVLVNBPGOQL-HUUCEWRRSA-N 1 1 318.377 1.422 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372871597 418910830 /nfs/dbraw/zinc/91/08/30/418910830.db2.gz QSCUGXZZQZQJPX-RNCFNFMXSA-N 1 1 315.333 1.295 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000426220770 419412706 /nfs/dbraw/zinc/41/27/06/419412706.db2.gz SZQQOKRWRSKUSJ-ZDUSSCGKSA-N 1 1 307.350 1.404 20 5 DDBDMO O=C(CC[N@@H+]1CCOCC12CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411697075 419383614 /nfs/dbraw/zinc/38/36/14/419383614.db2.gz RBQCPZQNLVWIKY-UHFFFAOYSA-N 1 1 305.334 1.788 20 5 DDBDMO O=C(CC[N@H+]1CCOCC12CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411697075 419383617 /nfs/dbraw/zinc/38/36/17/419383617.db2.gz RBQCPZQNLVWIKY-UHFFFAOYSA-N 1 1 305.334 1.788 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426884616 419565730 /nfs/dbraw/zinc/56/57/30/419565730.db2.gz YWVACVDUXKFUDI-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079917 419634480 /nfs/dbraw/zinc/63/44/80/419634480.db2.gz LKJRHFUZRYJXID-ZWNOBZJWSA-N 1 1 307.350 1.287 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412023010 419570806 /nfs/dbraw/zinc/57/08/06/419570806.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412023010 419570809 /nfs/dbraw/zinc/57/08/09/419570809.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412023010 419570815 /nfs/dbraw/zinc/57/08/15/419570815.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412023010 419570822 /nfs/dbraw/zinc/57/08/22/419570822.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412023010 419570826 /nfs/dbraw/zinc/57/08/26/419570826.db2.gz BMFQKNTXCICOJY-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412072591 419625556 /nfs/dbraw/zinc/62/55/56/419625556.db2.gz HJLUJOKWROZUNS-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412072591 419625562 /nfs/dbraw/zinc/62/55/62/419625562.db2.gz HJLUJOKWROZUNS-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)n1 ZINC000427493199 419673261 /nfs/dbraw/zinc/67/32/61/419673261.db2.gz RRDPVDWHKWOOFL-NSHDSACASA-N 1 1 309.370 1.223 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)n1 ZINC000427493199 419673268 /nfs/dbraw/zinc/67/32/68/419673268.db2.gz RRDPVDWHKWOOFL-NSHDSACASA-N 1 1 309.370 1.223 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000421706658 419692365 /nfs/dbraw/zinc/69/23/65/419692365.db2.gz VKMUPIMSJYAIFF-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000415030491 419917529 /nfs/dbraw/zinc/91/75/29/419917529.db2.gz CMKSRSCDGLUONV-DZGCQCFKSA-N 1 1 307.394 1.884 20 5 DDBDMO [NH3+]CC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430624754 420163176 /nfs/dbraw/zinc/16/31/76/420163176.db2.gz PKHPYPSHIMXOSE-OAHLLOKOSA-N 1 1 318.377 1.371 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000450619985 420499569 /nfs/dbraw/zinc/49/95/69/420499569.db2.gz UVUQPTZGNXVGQS-NSHDSACASA-N 1 1 314.773 1.902 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452784242 420661617 /nfs/dbraw/zinc/66/16/17/420661617.db2.gz OETKDMTYJDSHDZ-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO CN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000443070151 420741713 /nfs/dbraw/zinc/74/17/13/420741713.db2.gz KTAUACHHIHUOJL-ZDUSSCGKSA-N 1 1 320.393 1.618 20 5 DDBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cncs1 ZINC000447841051 420807200 /nfs/dbraw/zinc/80/72/00/420807200.db2.gz WAQHHDRDIYSECD-UHFFFAOYSA-N 1 1 311.367 1.396 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cncs1 ZINC000447841051 420807204 /nfs/dbraw/zinc/80/72/04/420807204.db2.gz WAQHHDRDIYSECD-UHFFFAOYSA-N 1 1 311.367 1.396 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)o1 ZINC000459712813 420855288 /nfs/dbraw/zinc/85/52/88/420855288.db2.gz RTXHBDLSVLIVMA-ABAIWWIYSA-N 1 1 318.329 1.640 20 5 DDBDMO CNc1nc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000454871745 420935774 /nfs/dbraw/zinc/93/57/74/420935774.db2.gz OMFMRHNBLUYRNZ-UHFFFAOYSA-N 1 1 319.365 1.199 20 5 DDBDMO Cc1ccc(CNC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449387359 421002570 /nfs/dbraw/zinc/00/25/70/421002570.db2.gz LDVDOKAWWRTBAU-HNNXBMFYSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1ccc(CNC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449387359 421002574 /nfs/dbraw/zinc/00/25/74/421002574.db2.gz LDVDOKAWWRTBAU-HNNXBMFYSA-N 1 1 307.394 1.840 20 5 DDBDMO COC(=O)[C@@H](C1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488722513 421107831 /nfs/dbraw/zinc/10/78/31/421107831.db2.gz OQVRURUYZDJYPC-CYBMUJFWSA-N 1 1 308.338 1.380 20 5 DDBDMO Cn1c(C(=O)NCc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000560156002 421237737 /nfs/dbraw/zinc/23/77/37/421237737.db2.gz SDUNYJYKEQNJMJ-UHFFFAOYSA-N 1 1 303.322 1.396 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104471 421284543 /nfs/dbraw/zinc/28/45/43/421284543.db2.gz KHFGXGRUUMSMHX-UKRRQHHQSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000562351221 421355030 /nfs/dbraw/zinc/35/50/30/421355030.db2.gz SBNFYAHJSSFMEV-INIZCTEOSA-N 1 1 318.377 1.832 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141264 421834133 /nfs/dbraw/zinc/83/41/33/421834133.db2.gz USEHCVPIPDLEBB-IHRRRGAJSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594282473 422345000 /nfs/dbraw/zinc/34/50/00/422345000.db2.gz QGZDBNIXYIOQPE-PHIMTYICSA-N 1 1 321.381 1.565 20 5 DDBDMO Nc1ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596559443 422379973 /nfs/dbraw/zinc/37/99/73/422379973.db2.gz YPNIWIAOKYUXQH-CYBMUJFWSA-N 1 1 313.361 2.258 20 5 DDBDMO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@H+](C)CCO1 ZINC000590694557 422322212 /nfs/dbraw/zinc/32/22/12/422322212.db2.gz PHMSXOGQHWNILY-IAQYHMDHSA-N 1 1 316.361 2.274 20 5 DDBDMO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000590694557 422322220 /nfs/dbraw/zinc/32/22/20/422322220.db2.gz PHMSXOGQHWNILY-IAQYHMDHSA-N 1 1 316.361 2.274 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000344869419 272132611 /nfs/dbraw/zinc/13/26/11/272132611.db2.gz RSIKXSZJQXYRFY-LPDYGMJQSA-N 1 1 305.378 1.654 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@]1(O)CC[N@H+](C)C1 ZINC000344869419 272132613 /nfs/dbraw/zinc/13/26/13/272132613.db2.gz RSIKXSZJQXYRFY-LPDYGMJQSA-N 1 1 305.378 1.654 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000345923100 272365762 /nfs/dbraw/zinc/36/57/62/272365762.db2.gz QJPUVYDDXVDPQP-BETUJISGSA-N 1 1 320.393 1.996 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000290497368 277085112 /nfs/dbraw/zinc/08/51/12/277085112.db2.gz ALVTTYSONHAHAQ-CMPLNLGQSA-N 1 1 319.365 1.009 20 5 DDBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000289813695 279118345 /nfs/dbraw/zinc/11/83/45/279118345.db2.gz NPUXYNTYOUQVMO-UKRRQHHQSA-N 1 1 305.378 1.890 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(C3CC3)CC2)c1 ZINC000125908896 281220157 /nfs/dbraw/zinc/22/01/57/281220157.db2.gz TZTXPNJNHDTIHG-OAHLLOKOSA-N 1 1 321.377 1.115 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362454460 300067553 /nfs/dbraw/zinc/06/75/53/300067553.db2.gz QNQJGKAMIONJMU-KBPBESRZSA-N 1 1 319.361 1.695 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985818 300194297 /nfs/dbraw/zinc/19/42/97/300194297.db2.gz JVZOOQBEOJIVBQ-HZPDHXFCSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689699 300296324 /nfs/dbraw/zinc/29/63/24/300296324.db2.gz GWNPRVCFQTYLCF-QWHCGFSZSA-N 1 1 319.361 1.496 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364322098 300375894 /nfs/dbraw/zinc/37/58/94/300375894.db2.gz DOKOMUQWSWULDN-CQSZACIVSA-N 1 1 324.381 1.045 20 5 DDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000367994915 300928983 /nfs/dbraw/zinc/92/89/83/300928983.db2.gz WIEVRNKJAWKNHR-SNVBAGLBSA-N 1 1 303.240 1.413 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000370163938 301286671 /nfs/dbraw/zinc/28/66/71/301286671.db2.gz UURHDVPYWKHEFK-OEAJRASXSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370163938 301286672 /nfs/dbraw/zinc/28/66/72/301286672.db2.gz UURHDVPYWKHEFK-OEAJRASXSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000370163938 301286673 /nfs/dbraw/zinc/28/66/73/301286673.db2.gz UURHDVPYWKHEFK-OEAJRASXSA-N 1 1 317.389 1.678 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000375994947 302021187 /nfs/dbraw/zinc/02/11/87/302021187.db2.gz OJLALPCUDGNNMF-BZPMIXESSA-N 1 1 308.382 1.844 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079657 302140496 /nfs/dbraw/zinc/14/04/96/302140496.db2.gz CVGROMQSKOONJR-NMFUWQPSSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079657 302140498 /nfs/dbraw/zinc/14/04/98/302140498.db2.gz CVGROMQSKOONJR-NMFUWQPSSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079657 302140499 /nfs/dbraw/zinc/14/04/99/302140499.db2.gz CVGROMQSKOONJR-NMFUWQPSSA-N 1 1 303.362 1.431 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510191 302187496 /nfs/dbraw/zinc/18/74/96/302187496.db2.gz FKHBQBSVJBESCW-RYUDHWBXSA-N 1 1 323.324 1.327 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000533226805 303313925 /nfs/dbraw/zinc/31/39/25/303313925.db2.gz MECGHNAZOORVMU-NSHDSACASA-N 1 1 321.381 1.752 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000357632575 306900749 /nfs/dbraw/zinc/90/07/49/306900749.db2.gz ZJJDVPNJKIEUGK-LBPRGKRZSA-N 1 1 321.377 1.744 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073897 307012832 /nfs/dbraw/zinc/01/28/32/307012832.db2.gz AHQVSVJMRYQPRD-IJLUTSLNSA-N 1 1 307.350 1.482 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073897 307012833 /nfs/dbraw/zinc/01/28/33/307012833.db2.gz AHQVSVJMRYQPRD-IJLUTSLNSA-N 1 1 307.350 1.482 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363939919 307038263 /nfs/dbraw/zinc/03/82/63/307038263.db2.gz VKHWGRNMCGBCGF-CHWSQXEVSA-N 1 1 319.361 1.960 20 5 DDBDMO CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000573459846 308241972 /nfs/dbraw/zinc/24/19/72/308241972.db2.gz PGQYLOUUYNXBIH-UHFFFAOYSA-N 1 1 305.381 1.029 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372370476 483932471 /nfs/dbraw/zinc/93/24/71/483932471.db2.gz UBSAKUIZRVSRHK-KBPBESRZSA-N 1 1 303.322 1.167 20 5 DDBDMO Cc1nc(NCCCN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000610754767 483936546 /nfs/dbraw/zinc/93/65/46/483936546.db2.gz GUZLDHXIWKUECD-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000610754767 483936555 /nfs/dbraw/zinc/93/65/55/483936555.db2.gz GUZLDHXIWKUECD-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1nc(NCCC[N@@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000610754767 483936561 /nfs/dbraw/zinc/93/65/61/483936561.db2.gz GUZLDHXIWKUECD-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292981388 534887121 /nfs/dbraw/zinc/88/71/21/534887121.db2.gz NCNYCICJNOKYNC-CQSZACIVSA-N 1 1 317.349 1.516 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292981388 534887122 /nfs/dbraw/zinc/88/71/22/534887122.db2.gz NCNYCICJNOKYNC-CQSZACIVSA-N 1 1 317.349 1.516 20 5 DDBDMO CC[N@@H+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C(C)C ZINC000821213796 606706445 /nfs/dbraw/zinc/70/64/45/606706445.db2.gz DXIWRGPZGIZEEB-UHFFFAOYSA-N 1 1 320.357 1.312 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000112401299 696650512 /nfs/dbraw/zinc/65/05/12/696650512.db2.gz UOYVKRUXPUOUPF-UHFFFAOYSA-N 1 1 308.382 1.947 20 5 DDBDMO CCOC(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OCC ZINC000124994433 696748352 /nfs/dbraw/zinc/74/83/52/696748352.db2.gz VAUTUHLBYRFDBB-GFCCVEGCSA-N 1 1 324.381 1.875 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000799029182 700110942 /nfs/dbraw/zinc/11/09/42/700110942.db2.gz UMAQNSPUYNKVHA-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCCF)C2 ZINC000982278677 697082005 /nfs/dbraw/zinc/08/20/05/697082005.db2.gz OAQCNKUBUYFGKM-GBOPCIDUSA-N 1 1 313.373 1.182 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCCF)C2 ZINC000982278677 697082007 /nfs/dbraw/zinc/08/20/07/697082007.db2.gz OAQCNKUBUYFGKM-GBOPCIDUSA-N 1 1 313.373 1.182 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCCF)C2 ZINC000982278677 697082009 /nfs/dbraw/zinc/08/20/09/697082009.db2.gz OAQCNKUBUYFGKM-GBOPCIDUSA-N 1 1 313.373 1.182 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749964589 700195448 /nfs/dbraw/zinc/19/54/48/700195448.db2.gz QJWJZPYRTNKTPX-LLVKDONJSA-N 1 1 305.338 1.574 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580555 698120520 /nfs/dbraw/zinc/12/05/20/698120520.db2.gz WJWWKQOYHIPELB-BBRMVZONSA-N 1 1 321.377 1.476 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781663013 698637468 /nfs/dbraw/zinc/63/74/68/698637468.db2.gz NBJAXIPWVMXSQS-UHFFFAOYSA-N 1 1 319.321 1.714 20 5 DDBDMO COc1cc(C[NH2+]C[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000733330428 699588951 /nfs/dbraw/zinc/58/89/51/699588951.db2.gz ZDQDPNOOQRATDP-LLVKDONJSA-N 1 1 324.255 1.976 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000790679152 699591510 /nfs/dbraw/zinc/59/15/10/699591510.db2.gz SWGWABALMOPUOZ-SNVBAGLBSA-N 1 1 307.350 1.688 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000790679152 699591512 /nfs/dbraw/zinc/59/15/12/699591512.db2.gz SWGWABALMOPUOZ-SNVBAGLBSA-N 1 1 307.350 1.688 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-])Nc1ccccc1 ZINC000791051419 699608897 /nfs/dbraw/zinc/60/88/97/699608897.db2.gz CSAIUJINIXBWAP-CQSZACIVSA-N 1 1 306.366 1.939 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-])Nc1ccccc1 ZINC000791051419 699608898 /nfs/dbraw/zinc/60/88/98/699608898.db2.gz CSAIUJINIXBWAP-CQSZACIVSA-N 1 1 306.366 1.939 20 5 DDBDMO C[N@H+](C[C@@H]1CCCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626965 699819960 /nfs/dbraw/zinc/81/99/60/699819960.db2.gz YKIJUZRTWAGJFZ-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO C[N@@H+](C[C@@H]1CCCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626965 699819963 /nfs/dbraw/zinc/81/99/63/699819963.db2.gz YKIJUZRTWAGJFZ-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO O=C(OCC[NH+]1CCSCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000757925423 700676405 /nfs/dbraw/zinc/67/64/05/700676405.db2.gz KQTPKMWPQCNRSW-UHFFFAOYSA-N 1 1 314.338 1.940 20 5 DDBDMO C[C@]12C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000879157384 706602032 /nfs/dbraw/zinc/60/20/32/706602032.db2.gz IHSLXICEFONDCQ-GASCZTMLSA-N 1 1 321.308 1.219 20 5 DDBDMO CN(C[C@H]1CCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945228 701846883 /nfs/dbraw/zinc/84/68/83/701846883.db2.gz BANUTZZDIYCQNI-IAQYHMDHSA-N 1 1 307.350 1.264 20 5 DDBDMO CC(C)(C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839516 701859300 /nfs/dbraw/zinc/85/93/00/701859300.db2.gz BSOLGBGUNNNJDT-YPMHNXCESA-N 1 1 322.365 1.696 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840092780 701965043 /nfs/dbraw/zinc/96/50/43/701965043.db2.gz XVAMOJCBFBQMRG-LLVKDONJSA-N 1 1 320.349 1.486 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000840223449 702034278 /nfs/dbraw/zinc/03/42/78/702034278.db2.gz JAIFDTPQFAWCRJ-GFCCVEGCSA-N 1 1 310.354 1.517 20 5 DDBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840333430 702073222 /nfs/dbraw/zinc/07/32/22/702073222.db2.gz BHIKTZWTEMYOQY-HUUCEWRRSA-N 1 1 305.378 1.808 20 5 DDBDMO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840333430 702073230 /nfs/dbraw/zinc/07/32/30/702073230.db2.gz BHIKTZWTEMYOQY-HUUCEWRRSA-N 1 1 305.378 1.808 20 5 DDBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840333430 702073239 /nfs/dbraw/zinc/07/32/39/702073239.db2.gz BHIKTZWTEMYOQY-HUUCEWRRSA-N 1 1 305.378 1.808 20 5 DDBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000840358612 702083073 /nfs/dbraw/zinc/08/30/73/702083073.db2.gz CLUYPZUTCOJTAQ-JTQLQIEISA-N 1 1 311.313 1.275 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000812337727 702161827 /nfs/dbraw/zinc/16/18/27/702161827.db2.gz HDRUHPKOYFNNLE-NWDGAFQWSA-N 1 1 319.361 1.627 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812338349 702162643 /nfs/dbraw/zinc/16/26/43/702162643.db2.gz NCEBCSCJBRHCCB-OLZOCXBDSA-N 1 1 303.362 1.927 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC000866209059 706649166 /nfs/dbraw/zinc/64/91/66/706649166.db2.gz PBMVOPDXBBHGPZ-ZYHUDNBSSA-N 1 1 320.349 1.307 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431432 704044414 /nfs/dbraw/zinc/04/44/14/704044414.db2.gz RQFBZOYIRQKAQD-CYBMUJFWSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852431432 704044416 /nfs/dbraw/zinc/04/44/16/704044416.db2.gz RQFBZOYIRQKAQD-CYBMUJFWSA-N 1 1 321.333 1.630 20 5 DDBDMO CC[NH+]1CCN(CCNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000853151379 704205255 /nfs/dbraw/zinc/20/52/55/704205255.db2.gz ORGHDDBJECLSSK-UHFFFAOYSA-N 1 1 320.393 1.847 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000820264841 704248747 /nfs/dbraw/zinc/24/87/47/704248747.db2.gz SNGZPRRJUHAGET-WFASDCNBSA-N 1 1 321.352 1.829 20 5 DDBDMO Cc1nn(C[N@H+]2CCC3(COC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853598238 704281591 /nfs/dbraw/zinc/28/15/91/704281591.db2.gz OYMJOLHJUVDCFC-UHFFFAOYSA-N 1 1 302.334 1.933 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856281495 704521362 /nfs/dbraw/zinc/52/13/62/704521362.db2.gz DUBHUKORXSFAHV-AWEZNQCLSA-N 1 1 323.393 1.865 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000859924851 705042926 /nfs/dbraw/zinc/04/29/26/705042926.db2.gz PRPXLECBBGWSOE-NUEKZKHPSA-N 1 1 306.362 1.723 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836392 705193969 /nfs/dbraw/zinc/19/39/69/705193969.db2.gz CCQQCIVJAKQEKN-VXGBXAGGSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836392 705193974 /nfs/dbraw/zinc/19/39/74/705193974.db2.gz CCQQCIVJAKQEKN-VXGBXAGGSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836392 705193980 /nfs/dbraw/zinc/19/39/80/705193980.db2.gz CCQQCIVJAKQEKN-VXGBXAGGSA-N 1 1 321.381 1.579 20 5 DDBDMO Nc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000824003222 705353109 /nfs/dbraw/zinc/35/31/09/705353109.db2.gz SYPNBSUMTQFFHB-QWHCGFSZSA-N 1 1 319.365 1.925 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000824369052 705437556 /nfs/dbraw/zinc/43/75/56/705437556.db2.gz VANYXIZMURAWIG-CHWSQXEVSA-N 1 1 321.381 1.233 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)sc2c1 ZINC000826573533 705817937 /nfs/dbraw/zinc/81/79/37/705817937.db2.gz COMKNMOSNQDKGG-LLVKDONJSA-N 1 1 320.374 1.460 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC([N@H+]4CC[C@@H](O)C4)C3)sc2c1 ZINC000826573533 705817938 /nfs/dbraw/zinc/81/79/38/705817938.db2.gz COMKNMOSNQDKGG-LLVKDONJSA-N 1 1 320.374 1.460 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863320121 705900225 /nfs/dbraw/zinc/90/02/25/705900225.db2.gz JMLCEEONKNTJDG-SNVBAGLBSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827338667 705979461 /nfs/dbraw/zinc/97/94/61/705979461.db2.gz PZSGNMIGLFJPAO-JSGCOSHPSA-N 1 1 318.377 1.559 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])n1 ZINC000877316031 706061200 /nfs/dbraw/zinc/06/12/00/706061200.db2.gz HBEABNBFTSWBIB-LBPRGKRZSA-N 1 1 310.354 1.303 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865526844 706454867 /nfs/dbraw/zinc/45/48/67/706454867.db2.gz XBCURQBUPLKVAR-LLVKDONJSA-N 1 1 313.329 1.359 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880419753 706968322 /nfs/dbraw/zinc/96/83/22/706968322.db2.gz PPJAXSIWPNHPSJ-XPTSAGLGSA-N 1 1 309.297 1.129 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564954 707019954 /nfs/dbraw/zinc/01/99/54/707019954.db2.gz ALSKIPFRDOPQGH-NHYWBVRUSA-N 1 1 308.334 1.574 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000835603225 707290907 /nfs/dbraw/zinc/29/09/07/707290907.db2.gz PPGRAOSOYIYUBF-YOGCLGLASA-N 1 1 322.365 1.841 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897222769 708260561 /nfs/dbraw/zinc/26/05/61/708260561.db2.gz XMKVGCYVANMTET-KBPBESRZSA-N 1 1 305.378 1.939 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000912606089 713045772 /nfs/dbraw/zinc/04/57/72/713045772.db2.gz KACSDRQYLZJXBE-UHFFFAOYSA-N 1 1 323.393 1.255 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000912608105 713047357 /nfs/dbraw/zinc/04/73/57/713047357.db2.gz QVZRMAATGMSDRJ-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO C[C@@](O)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067227 708691344 /nfs/dbraw/zinc/69/13/44/708691344.db2.gz IPYOMZYTXVUBMZ-TVQRCGJNSA-N 1 1 316.308 1.492 20 5 DDBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886236252 708721408 /nfs/dbraw/zinc/72/14/08/708721408.db2.gz CNAGWJDXCUOEGF-UHFFFAOYSA-N 1 1 321.425 1.496 20 5 DDBDMO CC1CC[NH+](Cc2cn(Cc3cccnc3[N+](=O)[O-])nn2)CC1 ZINC000887462983 709048704 /nfs/dbraw/zinc/04/87/04/709048704.db2.gz LGYSVTAOVVFIOJ-UHFFFAOYSA-N 1 1 316.365 1.862 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899911699 709234955 /nfs/dbraw/zinc/23/49/55/709234955.db2.gz VQEDLCSRTNIKNQ-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000899911121 709235106 /nfs/dbraw/zinc/23/51/06/709235106.db2.gz OAXNEZWABKTOKH-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[N+](=O)[O-] ZINC000928084743 713122363 /nfs/dbraw/zinc/12/23/63/713122363.db2.gz XPRKLSFGLPZEPD-VXGBXAGGSA-N 1 1 315.439 1.518 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000910203563 709812668 /nfs/dbraw/zinc/81/26/68/709812668.db2.gz BGHHVUMTZIVGOT-GFCCVEGCSA-N 1 1 310.354 1.517 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000910286379 709867005 /nfs/dbraw/zinc/86/70/05/709867005.db2.gz AANMWWMHJDDIEK-SNVBAGLBSA-N 1 1 309.370 1.193 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892144411 710379710 /nfs/dbraw/zinc/37/97/10/710379710.db2.gz OAHJCJKAVALSSE-PWSUYJOCSA-N 1 1 308.338 1.274 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928446196 713199935 /nfs/dbraw/zinc/19/99/35/713199935.db2.gz VCVPHJQOJPNRSR-ZANVPECISA-N 1 1 302.334 1.899 20 5 DDBDMO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894621897 711220667 /nfs/dbraw/zinc/22/06/67/711220667.db2.gz XMQGTDPAUOXQLK-SECBINFHSA-N 1 1 309.149 1.999 20 5 DDBDMO Cc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000894957192 711338747 /nfs/dbraw/zinc/33/87/47/711338747.db2.gz DBWGXFVUHLTJDZ-UHFFFAOYSA-N 1 1 312.395 1.175 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000913537855 713249091 /nfs/dbraw/zinc/24/90/91/713249091.db2.gz SRDMSEURFUVDLV-TXEJJXNPSA-N 1 1 304.350 1.312 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000895101576 711411913 /nfs/dbraw/zinc/41/19/13/711411913.db2.gz HUUITOCQKVHLOZ-PHIMTYICSA-N 1 1 322.365 1.695 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246340 711463836 /nfs/dbraw/zinc/46/38/36/711463836.db2.gz NBFHJVGEASGMPJ-JQWIXIFHSA-N 1 1 310.402 1.166 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896521584 711737665 /nfs/dbraw/zinc/73/76/65/711737665.db2.gz JZBBSBZQMRCDST-LBPRGKRZSA-N 1 1 323.397 1.556 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568493 711754722 /nfs/dbraw/zinc/75/47/22/711754722.db2.gz NLSJDHOVGYFGJI-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO COc1cc(C[NH2+]CC[N+](=O)[O-])cc(Br)c1OC ZINC000905083590 711930627 /nfs/dbraw/zinc/93/06/27/711930627.db2.gz XABUFCDOZYQQFD-UHFFFAOYSA-N 1 1 319.155 1.833 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C\Cl)cc1 ZINC000905704586 712125533 /nfs/dbraw/zinc/12/55/33/712125533.db2.gz ANYVVJCXQOPBAX-BHQIHCQQSA-N 1 1 304.755 1.711 20 5 DDBDMO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000914300032 713372979 /nfs/dbraw/zinc/37/29/79/713372979.db2.gz HTEHOWVAIWSVAU-JQWIXIFHSA-N 1 1 322.365 1.495 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000917481076 713499802 /nfs/dbraw/zinc/49/98/02/713499802.db2.gz XZHNEJAECOSWED-JTQLQIEISA-N 1 1 304.306 1.397 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000917481076 713499804 /nfs/dbraw/zinc/49/98/04/713499804.db2.gz XZHNEJAECOSWED-JTQLQIEISA-N 1 1 304.306 1.397 20 5 DDBDMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930471136 713843434 /nfs/dbraw/zinc/84/34/34/713843434.db2.gz VBELWUKJZFWQQP-KBPBESRZSA-N 1 1 313.398 1.986 20 5 DDBDMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000930471136 713843438 /nfs/dbraw/zinc/84/34/38/713843438.db2.gz VBELWUKJZFWQQP-KBPBESRZSA-N 1 1 313.398 1.986 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931389993 714081935 /nfs/dbraw/zinc/08/19/35/714081935.db2.gz NVUJFWVQUYBZAL-BETUJISGSA-N 1 1 318.377 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](C4OCCO4)C3)nc2c1 ZINC000932005440 714231740 /nfs/dbraw/zinc/23/17/40/714231740.db2.gz RMOASYLIGZYUAN-SNVBAGLBSA-N 1 1 319.317 1.931 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932007805 714232824 /nfs/dbraw/zinc/23/28/24/714232824.db2.gz KDPLKWUHWJBEPQ-GFCCVEGCSA-N 1 1 308.334 1.668 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000923275735 714293929 /nfs/dbraw/zinc/29/39/29/714293929.db2.gz UUKXBHMRMHRWMT-WDEREUQCSA-N 1 1 304.350 1.486 20 5 DDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000923335930 714319350 /nfs/dbraw/zinc/31/93/50/714319350.db2.gz SGXPIPUFIDIMDB-ZIAGYGMSSA-N 1 1 323.393 1.408 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000932646327 714374135 /nfs/dbraw/zinc/37/41/35/714374135.db2.gz HWUZABZSHROYFM-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000933372684 714574594 /nfs/dbraw/zinc/57/45/94/714574594.db2.gz UPNUBXYBWPCHSM-WCQYABFASA-N 1 1 323.397 1.431 20 5 DDBDMO CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000933998555 714719242 /nfs/dbraw/zinc/71/92/42/714719242.db2.gz JRZGMIQMEOIZRM-UHFFFAOYSA-N 1 1 322.409 1.153 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CC[C@H]2OC)c1 ZINC000934104984 714742024 /nfs/dbraw/zinc/74/20/24/714742024.db2.gz APFMXUDUWLBOLA-ZIAGYGMSSA-N 1 1 308.334 1.991 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CC[C@H]2OC)c1 ZINC000934104984 714742025 /nfs/dbraw/zinc/74/20/25/714742025.db2.gz APFMXUDUWLBOLA-ZIAGYGMSSA-N 1 1 308.334 1.991 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Cc3nccs3)C2)n1 ZINC000934335270 714797736 /nfs/dbraw/zinc/79/77/36/714797736.db2.gz ZRWIMXSLZADQFF-LLVKDONJSA-N 1 1 307.379 1.812 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923254 721849240 /nfs/dbraw/zinc/84/92/40/721849240.db2.gz UNHOKRDCMBXEFW-ZIAGYGMSSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923254 721849241 /nfs/dbraw/zinc/84/92/41/721849241.db2.gz UNHOKRDCMBXEFW-ZIAGYGMSSA-N 1 1 305.382 1.204 20 5 DDBDMO Cc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754496 721901529 /nfs/dbraw/zinc/90/15/29/721901529.db2.gz HWGWAHPWXSQZQW-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCc2[nH+]ccn2CC1 ZINC001167181663 732809685 /nfs/dbraw/zinc/80/96/85/732809685.db2.gz BELMHDYMWFEFTC-UHFFFAOYSA-N 1 1 310.317 1.797 20 5 DDBDMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC001100546830 734502385 /nfs/dbraw/zinc/50/23/85/734502385.db2.gz TXHZGEVJKPRDAT-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195762113 746689223 /nfs/dbraw/zinc/68/92/23/746689223.db2.gz WXKPLWGZYYENFC-DPOFCPOHSA-N 1 1 309.410 1.932 20 5 DDBDMO CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195762113 746689226 /nfs/dbraw/zinc/68/92/26/746689226.db2.gz WXKPLWGZYYENFC-DPOFCPOHSA-N 1 1 309.410 1.932 20 5 DDBDMO CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195762113 746689228 /nfs/dbraw/zinc/68/92/28/746689228.db2.gz WXKPLWGZYYENFC-DPOFCPOHSA-N 1 1 309.410 1.932 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001095574722 750049007 /nfs/dbraw/zinc/04/90/07/750049007.db2.gz KWPFMWJYDIPAMT-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCN(C)c1ncccc1[N+](=O)[O-] ZINC001095574719 750049726 /nfs/dbraw/zinc/04/97/26/750049726.db2.gz KUMQAZAJSBPZKR-UHFFFAOYSA-N 1 1 323.397 1.273 20 5 DDBDMO [NH3+]C1(c2cccnc2)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992057 762165791 /nfs/dbraw/zinc/16/57/91/762165791.db2.gz JFHAJNCAOBBSHF-DZGCQCFKSA-N 1 1 304.394 1.777 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011999 762178899 /nfs/dbraw/zinc/17/88/99/762178899.db2.gz OMIMZTMCAYEEAZ-ZNSHCXBVSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011999 762178901 /nfs/dbraw/zinc/17/89/01/762178901.db2.gz OMIMZTMCAYEEAZ-ZNSHCXBVSA-N 1 1 314.279 1.769 20 5 DDBDMO O=C(c1ccco1)N1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169037076 762192715 /nfs/dbraw/zinc/19/27/15/762192715.db2.gz IOZMOAPQUFWNIL-ZIAGYGMSSA-N 1 1 321.377 1.873 20 5 DDBDMO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C ZINC001020139035 760612644 /nfs/dbraw/zinc/61/26/44/760612644.db2.gz NSSRMXONFGWAEN-DDHJBXDOSA-N 1 1 324.406 1.162 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363117 761493188 /nfs/dbraw/zinc/49/31/88/761493188.db2.gz CLPOAHRNWIBLGH-KBUPBQIOSA-N 1 1 303.362 1.336 20 5 DDBDMO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001130419206 767523724 /nfs/dbraw/zinc/52/37/24/767523724.db2.gz PCOHSRUVLSOOEG-UHFFFAOYSA-N 1 1 322.409 1.531 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001130419206 767523726 /nfs/dbraw/zinc/52/37/26/767523726.db2.gz PCOHSRUVLSOOEG-UHFFFAOYSA-N 1 1 322.409 1.531 20 5 DDBDMO CC[NH+](CC)CC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001135511410 771557192 /nfs/dbraw/zinc/55/71/92/771557192.db2.gz RDFIQKZTRHSLOV-UHFFFAOYSA-N 1 1 308.382 1.142 20 5 DDBDMO CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001170863053 771773980 /nfs/dbraw/zinc/77/39/80/771773980.db2.gz LNFRIWZAAFARKE-AWEZNQCLSA-N 1 1 312.370 1.004 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170897949 771896942 /nfs/dbraw/zinc/89/69/42/771896942.db2.gz QVLMVFNAFVFXNV-ZDUSSCGKSA-N 1 1 302.338 1.487 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001147505957 773155172 /nfs/dbraw/zinc/15/51/72/773155172.db2.gz BNUDUOPTYNTCLH-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001147505957 773155173 /nfs/dbraw/zinc/15/51/73/773155173.db2.gz BNUDUOPTYNTCLH-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001147505957 773155174 /nfs/dbraw/zinc/15/51/74/773155174.db2.gz BNUDUOPTYNTCLH-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094515380 775971889 /nfs/dbraw/zinc/97/18/89/775971889.db2.gz SLGJQUZJSGFOAL-UHFFFAOYSA-N 1 1 323.397 1.640 20 5 DDBDMO CCNC(=O)C[N@@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907068 776917809 /nfs/dbraw/zinc/91/78/09/776917809.db2.gz CMEVWUXUCATIQF-CQSZACIVSA-N 1 1 305.378 1.910 20 5 DDBDMO C[C@@H]1CNC(=O)C[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921358 776930939 /nfs/dbraw/zinc/93/09/39/776930939.db2.gz PENWSIJRWAQTDV-BXUZGUMPSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H]1CNC(=O)C[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921358 776930945 /nfs/dbraw/zinc/93/09/45/776930945.db2.gz PENWSIJRWAQTDV-BXUZGUMPSA-N 1 1 303.362 1.663 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101829026 777574490 /nfs/dbraw/zinc/57/44/90/777574490.db2.gz BGLLZTFOMXKLKQ-UHFFFAOYSA-N 1 1 323.397 1.590 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)nc1C ZINC001267240863 837587347 /nfs/dbraw/zinc/58/73/47/837587347.db2.gz BBEUOLUZOCCQPG-HUUCEWRRSA-N 1 1 320.393 1.302 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)nc1C ZINC001267240863 837587353 /nfs/dbraw/zinc/58/73/53/837587353.db2.gz BBEUOLUZOCCQPG-HUUCEWRRSA-N 1 1 320.393 1.302 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)nc1C ZINC001267240863 837587359 /nfs/dbraw/zinc/58/73/59/837587359.db2.gz BBEUOLUZOCCQPG-HUUCEWRRSA-N 1 1 320.393 1.302 20 5 DDBDMO CCCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC001143030062 861347809 /nfs/dbraw/zinc/34/78/09/861347809.db2.gz XXPAUMJIWTYUJH-MRVPVSSYSA-N 1 1 315.761 1.528 20 5 DDBDMO Cc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)s1 ZINC001122716080 858947446 /nfs/dbraw/zinc/94/74/46/858947446.db2.gz VLIVBMNDWJPZOT-UHFFFAOYSA-N 1 1 323.378 1.218 20 5 DDBDMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@H+]2C1 ZINC001123668798 859352750 /nfs/dbraw/zinc/35/27/50/859352750.db2.gz HIGHYNGCOLJXKA-JHJVBQTASA-N 1 1 321.381 1.028 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCC[NH+]1CCOCC1 ZINC001224870033 881567193 /nfs/dbraw/zinc/56/71/93/881567193.db2.gz JMZLSUXEZNGWET-LBPRGKRZSA-N 1 1 312.370 1.227 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875295 860909872 /nfs/dbraw/zinc/90/98/72/860909872.db2.gz UILNHUPTGUHFSQ-JKSUJKDBSA-N 1 1 308.378 1.969 20 5 DDBDMO CN1CC[NH+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001329978077 863990436 /nfs/dbraw/zinc/99/04/36/863990436.db2.gz ZXYAVTDNVQFVEQ-UHFFFAOYSA-N 1 1 309.370 1.133 20 5 DDBDMO CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767815 864117588 /nfs/dbraw/zinc/11/75/88/864117588.db2.gz VTYCYFXRGXYZJZ-HZPDHXFCSA-N 1 1 319.405 1.900 20 5 DDBDMO Cc1cc(NCC(C)(C)[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001330377746 864285634 /nfs/dbraw/zinc/28/56/34/864285634.db2.gz MSQIJSUYANHRFW-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)CC23CCCC3)n1 ZINC001158408907 864634591 /nfs/dbraw/zinc/63/45/91/864634591.db2.gz RADYNNACBWBLKP-UHFFFAOYSA-N 1 1 321.381 1.766 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158432745 864653206 /nfs/dbraw/zinc/65/32/06/864653206.db2.gz YZFQCDXFSDWYIT-SNVBAGLBSA-N 1 1 306.322 1.061 20 5 DDBDMO CC[N@H+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563004 864728726 /nfs/dbraw/zinc/72/87/26/864728726.db2.gz RGQHOIKZWLFXGZ-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO COc1nc(NCC[NH+]2CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC001160748640 866095977 /nfs/dbraw/zinc/09/59/77/866095977.db2.gz YKAFFCVJLJSUCS-UHFFFAOYSA-N 1 1 317.296 1.536 20 5 DDBDMO Cn1cc(CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)cn1 ZINC001161856554 867036395 /nfs/dbraw/zinc/03/63/95/867036395.db2.gz CPZCRVOZRXKZKN-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO Cn1cc(CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)cn1 ZINC001161856554 867036411 /nfs/dbraw/zinc/03/64/11/867036411.db2.gz CPZCRVOZRXKZKN-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO COC(=O)c1ccnc(N[C@@]2(C)CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001162338155 867468770 /nfs/dbraw/zinc/46/87/70/867468770.db2.gz XCWWSNHXPHFJFD-AWEZNQCLSA-N 1 1 308.338 1.673 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335117119 868076244 /nfs/dbraw/zinc/07/62/44/868076244.db2.gz KNCAUYVTBUACJQ-QWHCGFSZSA-N 1 1 309.341 1.769 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001335420939 868284894 /nfs/dbraw/zinc/28/48/94/868284894.db2.gz KFACAIAOJWPRQN-CYBMUJFWSA-N 1 1 320.393 1.778 20 5 DDBDMO COc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)nc1[N+](=O)[O-] ZINC001164206832 869014865 /nfs/dbraw/zinc/01/48/65/869014865.db2.gz GKWKHLZEKCISEW-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC([NH2+]C4COC4)C3)sc2c1 ZINC001164220336 869030028 /nfs/dbraw/zinc/03/00/28/869030028.db2.gz GFNFKUKBQTVPNZ-UHFFFAOYSA-N 1 1 306.347 1.382 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001337735042 869611521 /nfs/dbraw/zinc/61/15/21/869611521.db2.gz RRJVFKFRLHUQKX-HUUCEWRRSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1[N+](=O)[O-] ZINC001337837314 869652733 /nfs/dbraw/zinc/65/27/33/869652733.db2.gz ZXRKZUFYVVHDNO-MGPQQGTHSA-N 1 1 303.362 1.973 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001339318227 870444272 /nfs/dbraw/zinc/44/42/72/870444272.db2.gz SPVRSVWKEFGSQB-FRRDWIJNSA-N 1 1 319.361 1.673 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001346923456 873937396 /nfs/dbraw/zinc/93/73/96/873937396.db2.gz WRWDTNGTGGNTHY-ZDUSSCGKSA-N 1 1 309.370 1.028 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001346923455 873937428 /nfs/dbraw/zinc/93/74/28/873937428.db2.gz WRWDTNGTGGNTHY-CYBMUJFWSA-N 1 1 309.370 1.028 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC001347597691 874205792 /nfs/dbraw/zinc/20/57/92/874205792.db2.gz RYERSXZWKPHXGH-BIMULSAOSA-N 1 1 305.334 1.370 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](O)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC001349958756 875475516 /nfs/dbraw/zinc/47/55/16/875475516.db2.gz QBQUYRGSQCZQHF-ZWNOBZJWSA-N 1 1 305.338 1.451 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC001349958756 875475527 /nfs/dbraw/zinc/47/55/27/875475527.db2.gz QBQUYRGSQCZQHF-ZWNOBZJWSA-N 1 1 305.338 1.451 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001350089624 875530687 /nfs/dbraw/zinc/53/06/87/875530687.db2.gz VSHCNEHRKXSEJC-CFVMTHIKSA-N 1 1 303.362 1.594 20 5 DDBDMO Nc1ncc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001300131225 876970746 /nfs/dbraw/zinc/97/07/46/876970746.db2.gz ODWSCNNCXSVDSC-NWDGAFQWSA-N 1 1 319.365 1.319 20 5 DDBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243435 883404231 /nfs/dbraw/zinc/40/42/31/883404231.db2.gz YDJLFCUJLQVJSC-VIFPVBQESA-O 1 1 307.330 1.717 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001254562875 896502888 /nfs/dbraw/zinc/50/28/88/896502888.db2.gz QKPRWMRYZQAKBV-HOCLYGCPSA-N 1 1 319.405 1.932 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569256 896504696 /nfs/dbraw/zinc/50/46/96/896504696.db2.gz JEQQCRNZZCGRBS-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569256 896504708 /nfs/dbraw/zinc/50/47/08/896504708.db2.gz JEQQCRNZZCGRBS-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO Cc1nc(CC[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254595037 896521595 /nfs/dbraw/zinc/52/15/95/896521595.db2.gz VDDPKVIDURHZNT-CQSZACIVSA-N 1 1 302.334 1.928 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCOC3(CCOCC3)C1)C2 ZINC001254608184 896531136 /nfs/dbraw/zinc/53/11/36/896531136.db2.gz OZUVYJOOAOLJIR-MRXNPFEDSA-N 1 1 318.373 1.943 20 5 DDBDMO Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985196 901392621 /nfs/dbraw/zinc/39/26/21/901392621.db2.gz PVZWVVJFLDQMHD-HUUCEWRRSA-N 1 1 323.368 1.737 20 5 DDBDMO Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985196 901392631 /nfs/dbraw/zinc/39/26/31/901392631.db2.gz PVZWVVJFLDQMHD-HUUCEWRRSA-N 1 1 323.368 1.737 20 5 DDBDMO Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985196 901392642 /nfs/dbraw/zinc/39/26/42/901392642.db2.gz PVZWVVJFLDQMHD-HUUCEWRRSA-N 1 1 323.368 1.737 20 5 DDBDMO O=[N+]([O-])c1ncn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000278579115 214252402 /nfs/dbraw/zinc/25/24/02/214252402.db2.gz OMOXBIAOEHRDTD-CQSZACIVSA-N 1 1 317.349 1.477 20 5 DDBDMO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000278597606 214265016 /nfs/dbraw/zinc/26/50/16/214265016.db2.gz ZHXSCGHKCBHKLD-LLVKDONJSA-N 1 1 318.381 1.519 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305361541 231003758 /nfs/dbraw/zinc/00/37/58/231003758.db2.gz UEYDNHKERNMGSR-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO COC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028473 231274457 /nfs/dbraw/zinc/27/44/57/231274457.db2.gz HFXUIFUSYPTRKX-GJZGRUSLSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)C[C@H]1C ZINC000452123109 231310965 /nfs/dbraw/zinc/31/09/65/231310965.db2.gz IAXXAPLDBIYJLB-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1csc([N+](=O)[O-])c1 ZINC000452348120 231355287 /nfs/dbraw/zinc/35/52/87/231355287.db2.gz KOINODGLXODLFB-LLVKDONJSA-N 1 1 313.379 1.233 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000614924736 362081913 /nfs/dbraw/zinc/08/19/13/362081913.db2.gz LFCDNRKGILYDDC-NSHDSACASA-N 1 1 322.287 1.835 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000614924736 362081915 /nfs/dbraw/zinc/08/19/15/362081915.db2.gz LFCDNRKGILYDDC-NSHDSACASA-N 1 1 322.287 1.835 20 5 DDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552550 185302603 /nfs/dbraw/zinc/30/26/03/185302603.db2.gz WWEADVNLVZWENF-GFCCVEGCSA-N 1 1 323.349 1.032 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551234 185302977 /nfs/dbraw/zinc/30/29/77/185302977.db2.gz KJWXBHPLYSUPIB-CYBMUJFWSA-N 1 1 311.407 1.830 20 5 DDBDMO Cn1cc(Cl)cc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552235 185303032 /nfs/dbraw/zinc/30/30/32/185303032.db2.gz IWYRWEIPBXCJQB-UHFFFAOYSA-N 1 1 324.768 1.880 20 5 DDBDMO Cn1cc(Cl)cc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552235 185303033 /nfs/dbraw/zinc/30/30/33/185303033.db2.gz IWYRWEIPBXCJQB-UHFFFAOYSA-N 1 1 324.768 1.880 20 5 DDBDMO CC[N@@H+](CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000269699406 282313207 /nfs/dbraw/zinc/31/32/07/282313207.db2.gz QLZSOWDMGMOJAD-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768582 186111367 /nfs/dbraw/zinc/11/13/67/186111367.db2.gz KCTHFDRRDGIYLI-NWDGAFQWSA-N 1 1 321.381 1.193 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000026342654 352207940 /nfs/dbraw/zinc/20/79/40/352207940.db2.gz RORUIZWVOSQKBP-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C)C1 ZINC000026342654 352207943 /nfs/dbraw/zinc/20/79/43/352207943.db2.gz RORUIZWVOSQKBP-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(=O)N(C)C ZINC000041894462 352317643 /nfs/dbraw/zinc/31/76/43/352317643.db2.gz SGKMMFSVSNAMIU-UHFFFAOYSA-N 1 1 322.365 1.252 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000072832168 353219871 /nfs/dbraw/zinc/21/98/71/353219871.db2.gz WTLYIHFJKBJXEQ-OAHLLOKOSA-N 1 1 307.325 1.836 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000072832168 353219873 /nfs/dbraw/zinc/21/98/73/353219873.db2.gz WTLYIHFJKBJXEQ-OAHLLOKOSA-N 1 1 307.325 1.836 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000078960990 353543015 /nfs/dbraw/zinc/54/30/15/353543015.db2.gz IHVKREMAINXHPQ-LLVKDONJSA-N 1 1 309.370 1.018 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000080611188 353617822 /nfs/dbraw/zinc/61/78/22/353617822.db2.gz IKWGTFMBAMGEAI-ZDUSSCGKSA-N 1 1 322.409 1.789 20 5 DDBDMO C[N@H+](Cc1cn[nH]c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000085825085 353736879 /nfs/dbraw/zinc/73/68/79/353736879.db2.gz ZUFGEVQMUHVSMM-ZDUSSCGKSA-N 1 1 306.322 1.190 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894444 353838441 /nfs/dbraw/zinc/83/84/41/353838441.db2.gz YOIGVTNQFISGOK-HNNXBMFYSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894444 353838444 /nfs/dbraw/zinc/83/84/44/353838444.db2.gz YOIGVTNQFISGOK-HNNXBMFYSA-N 1 1 320.324 1.350 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1[N+](=O)[O-] ZINC000092188575 353846523 /nfs/dbraw/zinc/84/65/23/353846523.db2.gz NSUOQMSBTRTBNW-AWEZNQCLSA-N 1 1 318.377 1.893 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1[N+](=O)[O-] ZINC000092188575 353846526 /nfs/dbraw/zinc/84/65/26/353846526.db2.gz NSUOQMSBTRTBNW-AWEZNQCLSA-N 1 1 318.377 1.893 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617765323 363297227 /nfs/dbraw/zinc/29/72/27/363297227.db2.gz WDGNUOTXPCNLQC-LBPRGKRZSA-N 1 1 309.366 1.129 20 5 DDBDMO Nc1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000149247154 354172488 /nfs/dbraw/zinc/17/24/88/354172488.db2.gz IODKXKCYNYONGG-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](O)C1CC1 ZINC000305238627 354469969 /nfs/dbraw/zinc/46/99/69/354469969.db2.gz OZXJITONZSZEMT-HNNXBMFYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](O)C1CC1 ZINC000305238627 354469973 /nfs/dbraw/zinc/46/99/73/354469973.db2.gz OZXJITONZSZEMT-HNNXBMFYSA-N 1 1 319.361 1.187 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(NCCC[NH+]3CCOCC3)c2c1 ZINC000321954652 354534324 /nfs/dbraw/zinc/53/43/24/354534324.db2.gz DQTXXWQHFPBYBR-UHFFFAOYSA-N 1 1 317.349 1.672 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000314680527 354488160 /nfs/dbraw/zinc/48/81/60/354488160.db2.gz COASLPFWWNXLSO-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000314680527 354488163 /nfs/dbraw/zinc/48/81/63/354488163.db2.gz COASLPFWWNXLSO-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000314926011 354490093 /nfs/dbraw/zinc/49/00/93/354490093.db2.gz WKBSHWMINIVAMZ-SNVBAGLBSA-N 1 1 308.260 1.099 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000314926011 354490096 /nfs/dbraw/zinc/49/00/96/354490096.db2.gz WKBSHWMINIVAMZ-SNVBAGLBSA-N 1 1 308.260 1.099 20 5 DDBDMO C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668488 299218457 /nfs/dbraw/zinc/21/84/57/299218457.db2.gz XNRIFYZIDPGCGH-NHYWBVRUSA-N 1 1 322.365 1.022 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000589510628 354998134 /nfs/dbraw/zinc/99/81/34/354998134.db2.gz BIRNOFJFECCVKQ-DGCLKSJQSA-N 1 1 322.361 1.974 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000590969160 355226053 /nfs/dbraw/zinc/22/60/53/355226053.db2.gz RZEYIOYMBFCNRZ-CYBMUJFWSA-N 1 1 307.350 1.136 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000592349567 355564406 /nfs/dbraw/zinc/56/44/06/355564406.db2.gz GKUGKDQXDGANSV-SNVBAGLBSA-N 1 1 304.306 1.363 20 5 DDBDMO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC[N@@H+](C)C1 ZINC000592833287 355707646 /nfs/dbraw/zinc/70/76/46/355707646.db2.gz YDOAFEHLTXJVQI-NSHDSACASA-N 1 1 309.370 1.193 20 5 DDBDMO CCC(C)(C)[NH+]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000594389102 356193761 /nfs/dbraw/zinc/19/37/61/356193761.db2.gz FIVBOJAPRGPQCP-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO CC(C)([NH2+]CC(=O)Nc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000595510592 356525135 /nfs/dbraw/zinc/52/51/35/356525135.db2.gz LFHFVAQKVZSVJR-UHFFFAOYSA-N 1 1 315.333 1.848 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766584 356643869 /nfs/dbraw/zinc/64/38/69/356643869.db2.gz QDPKINPPQGBTGK-NWDGAFQWSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766584 356643874 /nfs/dbraw/zinc/64/38/74/356643874.db2.gz QDPKINPPQGBTGK-NWDGAFQWSA-N 1 1 307.350 1.687 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595751425 356636474 /nfs/dbraw/zinc/63/64/74/356636474.db2.gz QGXHRZNKKRZAFU-INIZCTEOSA-N 1 1 319.361 1.431 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(COC2)C1 ZINC000595833530 356670498 /nfs/dbraw/zinc/67/04/98/356670498.db2.gz MBNXMUSNLSYVIA-NSHDSACASA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(COC2)C1 ZINC000595833530 356670499 /nfs/dbraw/zinc/67/04/99/356670499.db2.gz MBNXMUSNLSYVIA-NSHDSACASA-N 1 1 305.334 1.644 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1C ZINC000347202607 283207195 /nfs/dbraw/zinc/20/71/95/283207195.db2.gz KTMUWLZPDKJMIW-CMPLNLGQSA-N 1 1 308.334 1.987 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]1(C)CO ZINC000595873337 356686595 /nfs/dbraw/zinc/68/65/95/356686595.db2.gz LVCGPQARYWNKSD-BONVTDFDSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]1(C)CO ZINC000595873337 356686601 /nfs/dbraw/zinc/68/66/01/356686601.db2.gz LVCGPQARYWNKSD-BONVTDFDSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H](C)[NH+]1CCOCC1 ZINC000596113921 356777094 /nfs/dbraw/zinc/77/70/94/356777094.db2.gz FBFHWMGQHMKLNZ-QWRGUYRKSA-N 1 1 322.365 1.215 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC(CO)(CO)C1 ZINC000597218853 357098346 /nfs/dbraw/zinc/09/83/46/357098346.db2.gz LZYHZANPUFTNPA-QPEQYQDCSA-N 1 1 306.362 1.675 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347670951 283250849 /nfs/dbraw/zinc/25/08/49/283250849.db2.gz YDJLZRQJVRLCTL-ZDUSSCGKSA-N 1 1 309.370 1.030 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000597860017 357362093 /nfs/dbraw/zinc/36/20/93/357362093.db2.gz JWJRPTUBTRLQBQ-JTQLQIEISA-N 1 1 309.370 1.179 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597922938 357382928 /nfs/dbraw/zinc/38/29/28/357382928.db2.gz HEHQTSLPPCTRTM-NSHDSACASA-N 1 1 309.370 1.170 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598343107 357545994 /nfs/dbraw/zinc/54/59/94/357545994.db2.gz SJZPIJJXQCXPCL-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC[N@H+]1CC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598632779 357662592 /nfs/dbraw/zinc/66/25/92/357662592.db2.gz AVHCHJVHDCCVPJ-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648527 357669346 /nfs/dbraw/zinc/66/93/46/357669346.db2.gz UCQWXYUOKGHQGN-MCIONIFRSA-N 1 1 324.377 1.285 20 5 DDBDMO CC1(C)CC[C@H](CO)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598650038 357670076 /nfs/dbraw/zinc/67/00/76/357670076.db2.gz XLOPKFKOYCRIBN-CYBMUJFWSA-N 1 1 309.366 1.239 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648867 357670388 /nfs/dbraw/zinc/67/03/88/357670388.db2.gz IAHAZUMIZJXQCD-QWHCGFSZSA-N 1 1 321.377 1.874 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[NH+](CCCF)CC2)nc2sccn21 ZINC000599091591 357812906 /nfs/dbraw/zinc/81/29/06/357812906.db2.gz COAJJCMPFJDLNA-UHFFFAOYSA-N 1 1 313.358 1.786 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c2ncccc12 ZINC000599175935 357840368 /nfs/dbraw/zinc/84/03/68/357840368.db2.gz JYDFTLPBNNFGCO-LLVKDONJSA-N 1 1 302.334 1.622 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCC1 ZINC000599412154 357925671 /nfs/dbraw/zinc/92/56/71/357925671.db2.gz GIKYEOLAKLQVRX-AWEZNQCLSA-N 1 1 308.378 1.735 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(C)COC1 ZINC000599571545 357979252 /nfs/dbraw/zinc/97/92/52/357979252.db2.gz KUVUUMXVSGAJKM-NSHDSACASA-N 1 1 307.350 1.890 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632392 357998669 /nfs/dbraw/zinc/99/86/69/357998669.db2.gz IIXWGNIOZSORMD-GPAUDHNESA-N 1 1 324.402 1.959 20 5 DDBDMO Cc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000600204432 358155557 /nfs/dbraw/zinc/15/55/57/358155557.db2.gz PQAUFAYFBYIXJR-IYBDPMFKSA-N 1 1 308.378 1.716 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600310389 358192196 /nfs/dbraw/zinc/19/21/96/358192196.db2.gz IOJHNJWVRZFUPI-NSHDSACASA-N 1 1 309.370 1.098 20 5 DDBDMO COC(=O)c1cnc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000276635965 213015356 /nfs/dbraw/zinc/01/53/56/213015356.db2.gz WWTZWCLHIZEZJY-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000565579968 304077017 /nfs/dbraw/zinc/07/70/17/304077017.db2.gz OXGREKMDVBFPGM-OLZOCXBDSA-N 1 1 321.381 1.749 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601957864 358752873 /nfs/dbraw/zinc/75/28/73/358752873.db2.gz KPTPRVJEWPQDPT-INIZCTEOSA-N 1 1 316.361 1.737 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000602787494 359191160 /nfs/dbraw/zinc/19/11/60/359191160.db2.gz ZBVQLZFQFFMRSK-AWEZNQCLSA-N 1 1 309.414 1.906 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000602787499 359191518 /nfs/dbraw/zinc/19/15/18/359191518.db2.gz ZBVQLZFQFFMRSK-CQSZACIVSA-N 1 1 309.414 1.906 20 5 DDBDMO C[NH+](C)C[C@@]1(O)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000602875828 359258843 /nfs/dbraw/zinc/25/88/43/359258843.db2.gz ATJUCEFASORBSL-HNNXBMFYSA-N 1 1 309.366 1.189 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCCO)Cc1ccccn1 ZINC000602820272 359214445 /nfs/dbraw/zinc/21/44/45/359214445.db2.gz HRYIWIVQFPXFSK-UHFFFAOYSA-N 1 1 319.365 1.379 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](n3ccnn3)CC2)n1 ZINC000602889806 359273033 /nfs/dbraw/zinc/27/30/33/359273033.db2.gz WAMAFVLVYFUWOO-LBPRGKRZSA-N 1 1 305.342 1.110 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000602955994 359320932 /nfs/dbraw/zinc/32/09/32/359320932.db2.gz GVVUUTUSBUQGLO-UHFFFAOYSA-N 1 1 321.381 1.668 20 5 DDBDMO COc1ccc(Cn2cc(C[NH+]3CCCC3)nn2)cc1[N+](=O)[O-] ZINC000603205477 359480135 /nfs/dbraw/zinc/48/01/35/359480135.db2.gz CSOPDGQGPNKSIT-UHFFFAOYSA-N 1 1 317.349 1.839 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000186779009 200009368 /nfs/dbraw/zinc/00/93/68/200009368.db2.gz AOLWBDWEVYZBSN-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO COC[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605354 360481403 /nfs/dbraw/zinc/48/14/03/360481403.db2.gz ZMHUPJLJGJBCGV-KGLIPLIRSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610506737 360456483 /nfs/dbraw/zinc/45/64/83/360456483.db2.gz SUKMTCVEUGOQOL-KGLIPLIRSA-N 1 1 319.361 1.717 20 5 DDBDMO COCC1([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000611178758 360650724 /nfs/dbraw/zinc/65/07/24/360650724.db2.gz MGNIRZVZJNOOMI-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO COCC1([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000611178758 360650728 /nfs/dbraw/zinc/65/07/28/360650728.db2.gz MGNIRZVZJNOOMI-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092121 360621981 /nfs/dbraw/zinc/62/19/81/360621981.db2.gz JFIFQSJQYSRZOS-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](CCO)C1)OCCO2 ZINC000611268914 360684165 /nfs/dbraw/zinc/68/41/65/360684165.db2.gz FAIQNSNPZRQYAD-GFCCVEGCSA-N 1 1 322.361 1.960 20 5 DDBDMO COc1cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000193651791 201094940 /nfs/dbraw/zinc/09/49/40/201094940.db2.gz XMFHCHKRELALFN-AMIZOPFISA-N 1 1 311.313 1.357 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000619566960 364063799 /nfs/dbraw/zinc/06/37/99/364063799.db2.gz CVSMLBILXDBGDK-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000281735322 216510209 /nfs/dbraw/zinc/51/02/09/216510209.db2.gz XUPJVOLNZOUNRI-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264592874 204014513 /nfs/dbraw/zinc/01/45/13/204014513.db2.gz ANYJFTCOCQQRFU-GFCCVEGCSA-N 1 1 319.361 1.574 20 5 DDBDMO CCC[N@@H+](CC)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000288304775 220073412 /nfs/dbraw/zinc/07/34/12/220073412.db2.gz IFZVHKUEBHTYBD-UHFFFAOYSA-N 1 1 310.354 1.920 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NC)CC1 ZINC000175054843 248389748 /nfs/dbraw/zinc/38/97/48/248389748.db2.gz VXOLORMBCVGYTD-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000334103050 249215190 /nfs/dbraw/zinc/21/51/90/249215190.db2.gz IAGMSTNGCWECQK-QWRGUYRKSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284715652 218146068 /nfs/dbraw/zinc/14/60/68/218146068.db2.gz ULZRFXDBGTWFQS-HZPDHXFCSA-N 1 1 305.378 1.808 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCOCCO)C(C)C ZINC000338592192 250046845 /nfs/dbraw/zinc/04/68/45/250046845.db2.gz KXYOMPJKGYOVSM-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285312479 218376173 /nfs/dbraw/zinc/37/61/73/218376173.db2.gz MYPWVJJPDSNSKY-AWEZNQCLSA-N 1 1 313.304 1.831 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285312479 218376177 /nfs/dbraw/zinc/37/61/77/218376177.db2.gz MYPWVJJPDSNSKY-AWEZNQCLSA-N 1 1 313.304 1.831 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285312484 218376564 /nfs/dbraw/zinc/37/65/64/218376564.db2.gz MYPWVJJPDSNSKY-CQSZACIVSA-N 1 1 313.304 1.831 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285312484 218376567 /nfs/dbraw/zinc/37/65/67/218376567.db2.gz MYPWVJJPDSNSKY-CQSZACIVSA-N 1 1 313.304 1.831 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426392 285042379 /nfs/dbraw/zinc/04/23/79/285042379.db2.gz UCGREUOOKJKWSW-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)C ZINC000352439580 285051354 /nfs/dbraw/zinc/05/13/54/285051354.db2.gz XMTSDQFYQNQWDC-UHFFFAOYSA-N 1 1 323.349 1.784 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270158591 208218253 /nfs/dbraw/zinc/21/82/53/208218253.db2.gz ICQMSCSCKCBVID-NSHDSACASA-N 1 1 320.271 1.347 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CC1CC1 ZINC000352492352 285088847 /nfs/dbraw/zinc/08/88/47/285088847.db2.gz XFXNMFVJXCREFJ-UHFFFAOYSA-N 1 1 323.349 1.246 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@@H]1O ZINC000352661252 285205428 /nfs/dbraw/zinc/20/54/28/285205428.db2.gz RNRJCJHJGZXACX-OLZOCXBDSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@@H]1O ZINC000352661252 285205431 /nfs/dbraw/zinc/20/54/31/285205431.db2.gz RNRJCJHJGZXACX-OLZOCXBDSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659751 285204037 /nfs/dbraw/zinc/20/40/37/285204037.db2.gz LDZFEUSGPDYADK-HONMWMINSA-N 1 1 307.350 1.767 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@H]1O ZINC000352660114 285204602 /nfs/dbraw/zinc/20/46/02/285204602.db2.gz MJJOEPKTTUQPIO-DZGCQCFKSA-N 1 1 319.361 1.329 20 5 DDBDMO C[N@@H+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352662458 285206115 /nfs/dbraw/zinc/20/61/15/285206115.db2.gz ACFKPKYRLCRANP-UHFFFAOYSA-N 1 1 321.381 1.400 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000155242409 197035758 /nfs/dbraw/zinc/03/57/58/197035758.db2.gz QALOFRAAOAHGHO-UHFFFAOYSA-N 1 1 306.322 1.694 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000352777735 285294515 /nfs/dbraw/zinc/29/45/15/285294515.db2.gz ICWNHPVHHKDMEX-ZDUSSCGKSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000352777735 285294517 /nfs/dbraw/zinc/29/45/17/285294517.db2.gz ICWNHPVHHKDMEX-ZDUSSCGKSA-N 1 1 319.361 1.800 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000122321680 195434105 /nfs/dbraw/zinc/43/41/05/195434105.db2.gz QUFUXUDOBALSOL-YPMHNXCESA-N 1 1 323.397 1.288 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000568700184 304306396 /nfs/dbraw/zinc/30/63/96/304306396.db2.gz MHKPWOSIWYCFJV-UHFFFAOYSA-N 1 1 308.382 1.785 20 5 DDBDMO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000569115926 304336939 /nfs/dbraw/zinc/33/69/39/304336939.db2.gz ARGXHVUPJIMMDD-BBRMVZONSA-N 1 1 318.421 1.808 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000068410433 406640407 /nfs/dbraw/zinc/64/04/07/406640407.db2.gz FAVJCNWSSKMZCU-LBPRGKRZSA-N 1 1 323.397 1.480 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000073996089 406899664 /nfs/dbraw/zinc/89/96/64/406899664.db2.gz DRDMZFMXXVAUEF-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO CO[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000076345140 406964400 /nfs/dbraw/zinc/96/44/00/406964400.db2.gz GMFCEABNXJTZNJ-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000076345140 406964404 /nfs/dbraw/zinc/96/44/04/406964404.db2.gz GMFCEABNXJTZNJ-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000029913203 406927789 /nfs/dbraw/zinc/92/77/89/406927789.db2.gz YSJDIZGRJTUZOB-UHFFFAOYSA-N 1 1 307.306 1.746 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000029913203 406927791 /nfs/dbraw/zinc/92/77/91/406927791.db2.gz YSJDIZGRJTUZOB-UHFFFAOYSA-N 1 1 307.306 1.746 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078644202 407038543 /nfs/dbraw/zinc/03/85/43/407038543.db2.gz YCOCNYWGLCMUSA-CQSZACIVSA-N 1 1 322.365 1.827 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000054987101 407192182 /nfs/dbraw/zinc/19/21/82/407192182.db2.gz DEZNJIPCHABDEP-HNNXBMFYSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000054987101 407192183 /nfs/dbraw/zinc/19/21/83/407192183.db2.gz DEZNJIPCHABDEP-HNNXBMFYSA-N 1 1 319.361 1.717 20 5 DDBDMO CC[C@](C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000089913374 407158607 /nfs/dbraw/zinc/15/86/07/407158607.db2.gz IBEPUNQTSFHRHI-HNNXBMFYSA-N 1 1 318.333 1.993 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123492972 407330205 /nfs/dbraw/zinc/33/02/05/407330205.db2.gz CFWJLSFMUFSWES-PWSUYJOCSA-N 1 1 309.370 1.041 20 5 DDBDMO NS(=O)(=O)CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000104065847 407345920 /nfs/dbraw/zinc/34/59/20/407345920.db2.gz AIMPYFPETNAYGT-UHFFFAOYSA-N 1 1 313.379 1.095 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124481186 407359823 /nfs/dbraw/zinc/35/98/23/407359823.db2.gz DBZZVXKEZWXKQB-DZGCQCFKSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000107890892 407381125 /nfs/dbraw/zinc/38/11/25/407381125.db2.gz MMEWSCYBWIFWLI-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270980674 407447350 /nfs/dbraw/zinc/44/73/50/407447350.db2.gz XDCLSMQQAWQUCD-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270980674 407447358 /nfs/dbraw/zinc/44/73/58/407447358.db2.gz XDCLSMQQAWQUCD-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000265794732 407456528 /nfs/dbraw/zinc/45/65/28/407456528.db2.gz MVLYFBIICQMYGL-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000265794732 407456532 /nfs/dbraw/zinc/45/65/32/407456532.db2.gz MVLYFBIICQMYGL-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](CO)C3)n2)c1 ZINC000265924700 407511971 /nfs/dbraw/zinc/51/19/71/407511971.db2.gz YXINDWPOEMONFY-JTQLQIEISA-N 1 1 304.306 1.459 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](CO)C3)n2)c1 ZINC000265924700 407511975 /nfs/dbraw/zinc/51/19/75/407511975.db2.gz YXINDWPOEMONFY-JTQLQIEISA-N 1 1 304.306 1.459 20 5 DDBDMO CCN1CC[NH+]([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)CC1 ZINC000266849202 407652590 /nfs/dbraw/zinc/65/25/90/407652590.db2.gz QLNZZVLQAASNNO-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000267000402 407710690 /nfs/dbraw/zinc/71/06/90/407710690.db2.gz CTIGMPOTJVZJGK-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187253142 407838331 /nfs/dbraw/zinc/83/83/31/407838331.db2.gz SYAJZLSPPHLKHE-URWSZGRFSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187253142 407838336 /nfs/dbraw/zinc/83/83/36/407838336.db2.gz SYAJZLSPPHLKHE-URWSZGRFSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187280455 407840084 /nfs/dbraw/zinc/84/00/84/407840084.db2.gz ZUZLXQKUEMCSLT-LVDDQXARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187280455 407840089 /nfs/dbraw/zinc/84/00/89/407840089.db2.gz ZUZLXQKUEMCSLT-LVDDQXARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1C1CC1 ZINC000133535997 407856247 /nfs/dbraw/zinc/85/62/47/407856247.db2.gz DVHHENDGNCALHP-DTWKUNHWSA-N 1 1 305.338 1.126 20 5 DDBDMO CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccc[nH+]c21 ZINC000272300000 407859604 /nfs/dbraw/zinc/85/96/04/407859604.db2.gz UJIFXPWOHDMASK-HNNXBMFYSA-N 1 1 314.345 1.980 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272527312 407965925 /nfs/dbraw/zinc/96/59/25/407965925.db2.gz IAQOFUNTCFSODX-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246411141 408249571 /nfs/dbraw/zinc/24/95/71/408249571.db2.gz KBFUXBNLXVTJJU-DGCLKSJQSA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246411141 408249578 /nfs/dbraw/zinc/24/95/78/408249578.db2.gz KBFUXBNLXVTJJU-DGCLKSJQSA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000246411141 408249582 /nfs/dbraw/zinc/24/95/82/408249582.db2.gz KBFUXBNLXVTJJU-DGCLKSJQSA-N 1 1 311.407 1.809 20 5 DDBDMO CCOC(=O)C1([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000151193379 408275378 /nfs/dbraw/zinc/27/53/78/408275378.db2.gz STBRNFKJLQCFJZ-UHFFFAOYSA-N 1 1 324.381 1.989 20 5 DDBDMO CCOC(=O)C1([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000151193379 408275381 /nfs/dbraw/zinc/27/53/81/408275381.db2.gz STBRNFKJLQCFJZ-UHFFFAOYSA-N 1 1 324.381 1.989 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183198517 408350644 /nfs/dbraw/zinc/35/06/44/408350644.db2.gz KUASMYUWIGSIRS-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000183198517 408350647 /nfs/dbraw/zinc/35/06/47/408350647.db2.gz KUASMYUWIGSIRS-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000158853369 408364776 /nfs/dbraw/zinc/36/47/76/408364776.db2.gz PRPHRYSDOXCDLX-AAEUAGOBSA-N 1 1 323.397 1.371 20 5 DDBDMO CCC[NH+]1CCC(N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000264151135 408383024 /nfs/dbraw/zinc/38/30/24/408383024.db2.gz HXBWEUOCZOBLEF-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO C[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000264233223 408414778 /nfs/dbraw/zinc/41/47/78/408414778.db2.gz YJSXGPDWGRBQKU-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000264432112 408487338 /nfs/dbraw/zinc/48/73/38/408487338.db2.gz AUCYFVYQMMMMJI-LBPRGKRZSA-N 1 1 323.349 1.054 20 5 DDBDMO C[C@]1(O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248332139 408548730 /nfs/dbraw/zinc/54/87/30/408548730.db2.gz FFSCZOLLSZKKHY-ZFWWWQNUSA-N 1 1 305.334 1.157 20 5 DDBDMO C[C@]1(O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248332139 408548735 /nfs/dbraw/zinc/54/87/35/408548735.db2.gz FFSCZOLLSZKKHY-ZFWWWQNUSA-N 1 1 305.334 1.157 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248450127 408568476 /nfs/dbraw/zinc/56/84/76/408568476.db2.gz ILUOZQZLESQXEL-UONOGXRCSA-N 1 1 324.377 1.693 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270594450 408595876 /nfs/dbraw/zinc/59/58/76/408595876.db2.gz YRQLOPYVVBJRBC-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248666711 408614222 /nfs/dbraw/zinc/61/42/22/408614222.db2.gz OHIPZHYPJABUSW-NEPJUHHUSA-N 1 1 309.366 1.495 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184458914 408622358 /nfs/dbraw/zinc/62/23/58/408622358.db2.gz QZKNUEHXTUHXSL-SNVBAGLBSA-N 1 1 307.354 1.176 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761446 408669530 /nfs/dbraw/zinc/66/95/30/408669530.db2.gz MTKAFFZOLWEBHW-QWRGUYRKSA-N 1 1 309.370 1.179 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275905572 408715527 /nfs/dbraw/zinc/71/55/27/408715527.db2.gz SOEQNLYZTVVHCH-QEJZJMRPSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)C3CCC3)n2)c1 ZINC000275915955 408717121 /nfs/dbraw/zinc/71/71/21/408717121.db2.gz YGALAXBXGHPJJE-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)C3CCC3)n2)c1 ZINC000275915955 408717125 /nfs/dbraw/zinc/71/71/25/408717125.db2.gz YGALAXBXGHPJJE-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO Cc1cc([N+](=O)[O-])nn1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000184767532 408686144 /nfs/dbraw/zinc/68/61/44/408686144.db2.gz XNKFPHAXEVZWNE-OAHLLOKOSA-N 1 1 316.361 1.519 20 5 DDBDMO Nc1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000178174432 408783184 /nfs/dbraw/zinc/78/31/84/408783184.db2.gz KTRYHNZXIQNUHN-JTQLQIEISA-N 1 1 304.350 1.391 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000164563995 408801117 /nfs/dbraw/zinc/80/11/17/408801117.db2.gz DWCUXHPOLMRTLQ-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000276130358 408822428 /nfs/dbraw/zinc/82/24/28/408822428.db2.gz ZXISGEUAZHTCGY-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000276337654 408838976 /nfs/dbraw/zinc/83/89/76/408838976.db2.gz HOPWYXVSVWSKNP-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281695391 408911437 /nfs/dbraw/zinc/91/14/37/408911437.db2.gz VQLAJFMEKIPYKF-UHFFFAOYSA-N 1 1 309.366 1.740 20 5 DDBDMO Cc1ccnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000282284584 409026267 /nfs/dbraw/zinc/02/62/67/409026267.db2.gz PXRLVNROBBENPX-CQSZACIVSA-N 1 1 320.393 1.847 20 5 DDBDMO CC(=O)c1cc(NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000287520507 409049099 /nfs/dbraw/zinc/04/90/99/409049099.db2.gz VFWMDQAQLAUZGM-CYBMUJFWSA-N 1 1 306.366 1.455 20 5 DDBDMO CC(=O)c1cc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000287520507 409049101 /nfs/dbraw/zinc/04/91/01/409049101.db2.gz VFWMDQAQLAUZGM-CYBMUJFWSA-N 1 1 306.366 1.455 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289044590 409211396 /nfs/dbraw/zinc/21/13/96/409211396.db2.gz PVXWHSINWAOKJG-IHRRRGAJSA-N 1 1 324.377 1.427 20 5 DDBDMO COC(=O)c1cnc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280167580 409261999 /nfs/dbraw/zinc/26/19/99/409261999.db2.gz GXCXRLFHUDYHAO-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO COC(=O)c1cnc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280167580 409262000 /nfs/dbraw/zinc/26/20/00/409262000.db2.gz GXCXRLFHUDYHAO-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccccc1 ZINC000285492502 409466922 /nfs/dbraw/zinc/46/69/22/409466922.db2.gz AMVVQRPHEXNCQG-RISCZKNCSA-N 1 1 315.333 1.493 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408075847 164219744 /nfs/dbraw/zinc/21/97/44/164219744.db2.gz ZYLWWTSLUVZGDQ-VHSXEESVSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408075847 164219746 /nfs/dbraw/zinc/21/97/46/164219746.db2.gz ZYLWWTSLUVZGDQ-VHSXEESVSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cncc1F ZINC000285594561 409502321 /nfs/dbraw/zinc/50/23/21/409502321.db2.gz IYNIMSWFMKGMMG-VIFPVBQESA-N 1 1 324.287 1.781 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356853674 409664960 /nfs/dbraw/zinc/66/49/60/409664960.db2.gz OCQLLPAPJFTRSG-NEPJUHHUSA-N 1 1 307.350 1.525 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2C[NH+](C(C)C)C2)c1 ZINC000297154534 409826625 /nfs/dbraw/zinc/82/66/25/409826625.db2.gz RXVOHHMFNOPLSZ-UHFFFAOYSA-N 1 1 321.377 1.881 20 5 DDBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000357308675 409966553 /nfs/dbraw/zinc/96/65/53/409966553.db2.gz WQTOKLLVZUTBRL-QWRGUYRKSA-N 1 1 321.381 1.764 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298105662 410117670 /nfs/dbraw/zinc/11/76/70/410117670.db2.gz NRCMVBYGIWJKPK-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777749 410393954 /nfs/dbraw/zinc/39/39/54/410393954.db2.gz DIIBZXMFQSDFJR-MNOVXSKESA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777749 410393959 /nfs/dbraw/zinc/39/39/59/410393959.db2.gz DIIBZXMFQSDFJR-MNOVXSKESA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000298822785 410411637 /nfs/dbraw/zinc/41/16/37/410411637.db2.gz ZYXUDXVBUZTPBP-LLVKDONJSA-N 1 1 321.333 1.053 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000298822785 410411642 /nfs/dbraw/zinc/41/16/42/410411642.db2.gz ZYXUDXVBUZTPBP-LLVKDONJSA-N 1 1 321.333 1.053 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000343415855 410433467 /nfs/dbraw/zinc/43/34/67/410433467.db2.gz LPVLZNPDNXGZJM-IPYPFGDCSA-N 1 1 324.377 1.427 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000343511886 410502366 /nfs/dbraw/zinc/50/23/66/410502366.db2.gz JGHXPOMPNDTBTQ-MFKMUULPSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000352188386 410534456 /nfs/dbraw/zinc/53/44/56/410534456.db2.gz YJVZYJUWKHEQOF-NSHDSACASA-N 1 1 323.349 1.596 20 5 DDBDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355541669 410572351 /nfs/dbraw/zinc/57/23/51/410572351.db2.gz JAMFXCLPBYPRFD-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355541669 410572355 /nfs/dbraw/zinc/57/23/55/410572355.db2.gz JAMFXCLPBYPRFD-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000352201993 410545585 /nfs/dbraw/zinc/54/55/85/410545585.db2.gz HSARQZSPIRCPLU-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCOC1 ZINC000352201993 410545590 /nfs/dbraw/zinc/54/55/90/410545590.db2.gz HSARQZSPIRCPLU-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)C2 ZINC000301127172 410661990 /nfs/dbraw/zinc/66/19/90/410661990.db2.gz OXUWJRZXEGKRMG-SECBINFHSA-N 1 1 316.321 1.021 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301155534 410666894 /nfs/dbraw/zinc/66/68/94/410666894.db2.gz PWCKVEOMNWTROQ-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000330542480 410762055 /nfs/dbraw/zinc/76/20/55/410762055.db2.gz IVNKWAKYVNBWCN-WHOFXGATSA-N 1 1 321.377 1.800 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000330542480 410762062 /nfs/dbraw/zinc/76/20/62/410762062.db2.gz IVNKWAKYVNBWCN-WHOFXGATSA-N 1 1 321.377 1.800 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330663766 410860707 /nfs/dbraw/zinc/86/07/07/410860707.db2.gz UCLVTWYQWLQXTK-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330663766 410860712 /nfs/dbraw/zinc/86/07/12/410860712.db2.gz UCLVTWYQWLQXTK-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882401 410901715 /nfs/dbraw/zinc/90/17/15/410901715.db2.gz ZSFLJIARVHBWQJ-GHMZBOCLSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882401 410901722 /nfs/dbraw/zinc/90/17/22/410901722.db2.gz ZSFLJIARVHBWQJ-GHMZBOCLSA-N 1 1 309.341 2.000 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344068251 410935667 /nfs/dbraw/zinc/93/56/67/410935667.db2.gz QIRRRIFZUGCELZ-KYEXWDHISA-N 1 1 322.361 1.037 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117201 410966376 /nfs/dbraw/zinc/96/63/76/410966376.db2.gz BLLUILYXXDOUDF-NFAWXSAZSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331188578 411007509 /nfs/dbraw/zinc/00/75/09/411007509.db2.gz ZJLJNNODJLIZGI-JSGCOSHPSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331188578 411007511 /nfs/dbraw/zinc/00/75/11/411007511.db2.gz ZJLJNNODJLIZGI-JSGCOSHPSA-N 1 1 324.377 1.834 20 5 DDBDMO CC1CC[NH+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000360108657 411051246 /nfs/dbraw/zinc/05/12/46/411051246.db2.gz XYHZISKHQJGHOX-CABCVRRESA-N 1 1 309.410 1.622 20 5 DDBDMO COc1ccc(OCCN2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000331279234 411053830 /nfs/dbraw/zinc/05/38/30/411053830.db2.gz SRXRHTHBRZYIOX-GFCCVEGCSA-N 1 1 309.366 1.618 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cs1 ZINC000129480428 196051995 /nfs/dbraw/zinc/05/19/95/196051995.db2.gz NAXQNTKGOAVSGW-LBPRGKRZSA-N 1 1 311.407 1.810 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cs1 ZINC000129480428 196051998 /nfs/dbraw/zinc/05/19/98/196051998.db2.gz NAXQNTKGOAVSGW-LBPRGKRZSA-N 1 1 311.407 1.810 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000131919618 196209681 /nfs/dbraw/zinc/20/96/81/196209681.db2.gz PPDQUCIHSJGSJP-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000131919618 196209683 /nfs/dbraw/zinc/20/96/83/196209683.db2.gz PPDQUCIHSJGSJP-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296640435 226077050 /nfs/dbraw/zinc/07/70/50/226077050.db2.gz IHGSEAOATIQFKW-HNNXBMFYSA-N 1 1 307.350 1.552 20 5 DDBDMO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933509 418474832 /nfs/dbraw/zinc/47/48/32/418474832.db2.gz MPPRPDAPADBXQF-GJZGRUSLSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000373933509 418474836 /nfs/dbraw/zinc/47/48/36/418474836.db2.gz MPPRPDAPADBXQF-GJZGRUSLSA-N 1 1 303.362 1.386 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000373933509 418474839 /nfs/dbraw/zinc/47/48/39/418474839.db2.gz MPPRPDAPADBXQF-GJZGRUSLSA-N 1 1 303.362 1.386 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[N@H+](C)C[C@H]3C)n2)n1C ZINC000361248776 418611733 /nfs/dbraw/zinc/61/17/33/418611733.db2.gz CXVDLPKPCNYPOU-VXNVDRBHSA-N 1 1 306.326 1.352 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ncccc2C1 ZINC000367849568 418645051 /nfs/dbraw/zinc/64/50/51/418645051.db2.gz NDHRJMMIZIRULY-UHFFFAOYSA-N 1 1 300.318 1.210 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ncccc2C1 ZINC000367849568 418645054 /nfs/dbraw/zinc/64/50/54/418645054.db2.gz NDHRJMMIZIRULY-UHFFFAOYSA-N 1 1 300.318 1.210 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000375621054 418663582 /nfs/dbraw/zinc/66/35/82/418663582.db2.gz NYLVHJSBMHCKPI-VIFPVBQESA-N 1 1 317.342 1.154 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000370308931 418742437 /nfs/dbraw/zinc/74/24/37/418742437.db2.gz QJBNFLMFWHVIBF-BBRMVZONSA-N 1 1 313.361 2.490 20 5 DDBDMO CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420961018 419387547 /nfs/dbraw/zinc/38/75/47/419387547.db2.gz SCKCXUKQBYWHBT-LBPRGKRZSA-N 1 1 320.349 1.134 20 5 DDBDMO COc1cc(CN2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000426484130 419480696 /nfs/dbraw/zinc/48/06/96/419480696.db2.gz KZIDLFIZJLALFQ-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO CCOc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000411914922 419482837 /nfs/dbraw/zinc/48/28/37/419482837.db2.gz RILJFCHYSOGZDU-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411943426 419515718 /nfs/dbraw/zinc/51/57/18/419515718.db2.gz QOZXWQUDZGHPBC-NSHDSACASA-N 1 1 307.350 1.514 20 5 DDBDMO CNC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000412054693 419599937 /nfs/dbraw/zinc/59/99/37/419599937.db2.gz MSTZLFGOEIFNAI-UHFFFAOYSA-N 1 1 322.365 1.497 20 5 DDBDMO C[C@H](O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101483 419665654 /nfs/dbraw/zinc/66/56/54/419665654.db2.gz WZXDFPRIFFUEST-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H](O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101483 419665667 /nfs/dbraw/zinc/66/56/67/419665667.db2.gz WZXDFPRIFFUEST-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=C(C)CC2)n1 ZINC000427689845 419715736 /nfs/dbraw/zinc/71/57/36/419715736.db2.gz QZBFCCOBYZHWSJ-UHFFFAOYSA-N 1 1 307.354 1.193 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000422018759 419808644 /nfs/dbraw/zinc/80/86/44/419808644.db2.gz JMNGYKSFCSONKP-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000415030496 419917421 /nfs/dbraw/zinc/91/74/21/419917421.db2.gz CMKSRSCDGLUONV-UKRRQHHQSA-N 1 1 307.394 1.884 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)COC(C)C ZINC000430237139 420094666 /nfs/dbraw/zinc/09/46/66/420094666.db2.gz OOGQLSFSZWMLSU-CQSZACIVSA-N 1 1 312.366 1.821 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000430237139 420094671 /nfs/dbraw/zinc/09/46/71/420094671.db2.gz OOGQLSFSZWMLSU-CQSZACIVSA-N 1 1 312.366 1.821 20 5 DDBDMO Cc1c(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)cccc1[N+](=O)[O-] ZINC000423794518 420188768 /nfs/dbraw/zinc/18/87/68/420188768.db2.gz DVLISBKLSPKQKM-LLVKDONJSA-N 1 1 313.304 1.764 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416452100 420377638 /nfs/dbraw/zinc/37/76/38/420377638.db2.gz COGQGZHWHBORFO-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H](C)[NH+]1CCOCC1 ZINC000301959861 230004951 /nfs/dbraw/zinc/00/49/51/230004951.db2.gz HIDUFXOOPKJATL-QWRGUYRKSA-N 1 1 320.353 1.159 20 5 DDBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000302487351 230264954 /nfs/dbraw/zinc/26/49/54/230264954.db2.gz IVJGABCLFKNWML-GFCCVEGCSA-N 1 1 308.382 1.580 20 5 DDBDMO CC(C)c1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000439715100 420532944 /nfs/dbraw/zinc/53/29/44/420532944.db2.gz DDFKINXTFFLAEJ-MRXNPFEDSA-N 1 1 321.377 1.515 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000456908927 420567141 /nfs/dbraw/zinc/56/71/41/420567141.db2.gz XPUDLABNOIAXJB-UHFFFAOYSA-N 1 1 323.397 1.069 20 5 DDBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H]2CCCCN12 ZINC000453628714 420738149 /nfs/dbraw/zinc/73/81/49/420738149.db2.gz NOBLTICRJVPHLS-BXUZGUMPSA-N 1 1 307.325 1.977 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493186308 420780546 /nfs/dbraw/zinc/78/05/46/420780546.db2.gz GYTLTOQBZAIMRF-YTELKSAQSA-N 1 1 301.346 1.771 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454276410 420828467 /nfs/dbraw/zinc/82/84/67/420828467.db2.gz ORRBBUICXQUKKD-AWEZNQCLSA-N 1 1 322.365 1.563 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493392995 420836451 /nfs/dbraw/zinc/83/64/51/420836451.db2.gz RGDQNIDBGATEGH-LLPBQKLSSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493392995 420836452 /nfs/dbraw/zinc/83/64/52/420836452.db2.gz RGDQNIDBGATEGH-LLPBQKLSSA-N 1 1 319.361 1.133 20 5 DDBDMO CNc1nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455613541 421044893 /nfs/dbraw/zinc/04/48/93/421044893.db2.gz NMCYNRGQIZQYGM-NSHDSACASA-N 1 1 319.365 1.340 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000449366759 420998566 /nfs/dbraw/zinc/99/85/66/420998566.db2.gz SMXGFTDZHPSRAM-AWEZNQCLSA-N 1 1 320.345 1.606 20 5 DDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12COC2 ZINC000449366760 420998651 /nfs/dbraw/zinc/99/86/51/420998651.db2.gz SMXGFTDZHPSRAM-CQSZACIVSA-N 1 1 320.345 1.606 20 5 DDBDMO CC(C)[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1C ZINC000487084097 421001458 /nfs/dbraw/zinc/00/14/58/421001458.db2.gz JDARCFMHSUJSTC-NSHDSACASA-N 1 1 304.354 1.414 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@H+]2CCO)c(F)c1 ZINC000449394344 421004150 /nfs/dbraw/zinc/00/41/50/421004150.db2.gz NTLPDSHHHAJCSZ-CQSZACIVSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000449394344 421004153 /nfs/dbraw/zinc/00/41/53/421004153.db2.gz NTLPDSHHHAJCSZ-CQSZACIVSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000449433160 421011170 /nfs/dbraw/zinc/01/11/70/421011170.db2.gz LASCQXKMVCSYIC-IMJJTQAJSA-N 1 1 306.362 1.957 20 5 DDBDMO C[C@@H]1COCC[N@@H+]1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450310923 421180527 /nfs/dbraw/zinc/18/05/27/421180527.db2.gz CBZRTBADRNLGMI-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@@H]1COCC[N@H+]1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450310923 421180528 /nfs/dbraw/zinc/18/05/28/421180528.db2.gz CBZRTBADRNLGMI-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000524753474 421268924 /nfs/dbraw/zinc/26/89/24/421268924.db2.gz JDNNQPZMJDOJPX-MRXNPFEDSA-N 1 1 318.377 1.983 20 5 DDBDMO CNc1nc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515130797 421480881 /nfs/dbraw/zinc/48/08/81/421480881.db2.gz MLQQIIPQAFRTSB-NSHDSACASA-N 1 1 321.381 1.492 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000563374315 421494407 /nfs/dbraw/zinc/49/44/07/421494407.db2.gz ODGSCIFUQGEDAB-UHFFFAOYSA-N 1 1 321.381 1.518 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379331 421542318 /nfs/dbraw/zinc/54/23/18/421542318.db2.gz IAYHNTOFSBYVOH-JTQLQIEISA-N 1 1 321.333 1.538 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128839 421632730 /nfs/dbraw/zinc/63/27/30/421632730.db2.gz SWZXXCGQGZBWGH-OBJOEFQTSA-N 1 1 320.393 1.736 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000571302463 421704548 /nfs/dbraw/zinc/70/45/48/421704548.db2.gz PBIANFHOIRTEGL-UHFFFAOYSA-N 1 1 305.378 1.998 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000574665411 422154824 /nfs/dbraw/zinc/15/48/24/422154824.db2.gz GKSKABOSNJLVFG-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000574665411 422154830 /nfs/dbraw/zinc/15/48/30/422154830.db2.gz GKSKABOSNJLVFG-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000577076012 422381605 /nfs/dbraw/zinc/38/16/05/422381605.db2.gz AUGBPNDDGOJNLL-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000577076012 422381611 /nfs/dbraw/zinc/38/16/11/422381611.db2.gz AUGBPNDDGOJNLL-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000597710151 422389868 /nfs/dbraw/zinc/38/98/68/422389868.db2.gz IJXUXVJQJFKMKS-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@@H](O)C3)ccc2c1 ZINC000599175510 422404421 /nfs/dbraw/zinc/40/44/21/422404421.db2.gz DKRKSDKCRMYNMU-CYBMUJFWSA-N 1 1 302.334 1.622 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589559 422600945 /nfs/dbraw/zinc/60/09/45/422600945.db2.gz ZVUCRLSZDBDBCQ-HIFRSBDPSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589559 422600954 /nfs/dbraw/zinc/60/09/54/422600954.db2.gz ZVUCRLSZDBDBCQ-HIFRSBDPSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589559 422600960 /nfs/dbraw/zinc/60/09/60/422600960.db2.gz ZVUCRLSZDBDBCQ-HIFRSBDPSA-N 1 1 323.393 1.361 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000342144136 271318797 /nfs/dbraw/zinc/31/87/97/271318797.db2.gz XDTNIHXUVWSWKU-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344621520 272072648 /nfs/dbraw/zinc/07/26/48/272072648.db2.gz SWJUAFZLFKQCJF-LBPRGKRZSA-N 1 1 321.381 1.422 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345282722 272208293 /nfs/dbraw/zinc/20/82/93/272208293.db2.gz GQZPHLHXPBGOES-VHSXEESVSA-N 1 1 309.370 1.483 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284414796 277130113 /nfs/dbraw/zinc/13/01/13/277130113.db2.gz BUPBFPSAYNBTBK-NEPJUHHUSA-N 1 1 312.757 1.553 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000450782297 277150069 /nfs/dbraw/zinc/15/00/69/277150069.db2.gz WZZBLNKKMZIJBT-YPMHNXCESA-N 1 1 315.333 1.785 20 5 DDBDMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000192464654 278200658 /nfs/dbraw/zinc/20/06/58/278200658.db2.gz OLQVQBQVYJPGRG-UTUOFQBUSA-N 1 1 321.352 1.857 20 5 DDBDMO C[N@@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000122739634 281160594 /nfs/dbraw/zinc/16/05/94/281160594.db2.gz IYBYMRQMYUVXHS-CYBMUJFWSA-N 1 1 309.391 1.648 20 5 DDBDMO O=C([C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000357937511 299025737 /nfs/dbraw/zinc/02/57/37/299025737.db2.gz WYPILQZYANJAFS-ZDUSSCGKSA-N 1 1 321.381 1.126 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364173984 300353694 /nfs/dbraw/zinc/35/36/94/300353694.db2.gz KKHOUPHJNCJFPF-XQLPTFJDSA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364173984 300353695 /nfs/dbraw/zinc/35/36/95/300353695.db2.gz KKHOUPHJNCJFPF-XQLPTFJDSA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364173984 300353697 /nfs/dbraw/zinc/35/36/97/300353697.db2.gz KKHOUPHJNCJFPF-XQLPTFJDSA-N 1 1 318.377 1.198 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000368590607 301060001 /nfs/dbraw/zinc/06/00/01/301060001.db2.gz KZNRBRWFFIZYPJ-IAQYHMDHSA-N 1 1 319.361 1.770 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC23CCOCC3)c1 ZINC000368893131 301102298 /nfs/dbraw/zinc/10/22/98/301102298.db2.gz AQHOFBBJLJFWFB-AWEZNQCLSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC12CCOCC2 ZINC000368898025 301103942 /nfs/dbraw/zinc/10/39/42/301103942.db2.gz VVPNJTVIEPMMBB-ZDUSSCGKSA-N 1 1 322.361 1.589 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976932 301116319 /nfs/dbraw/zinc/11/63/19/301116319.db2.gz ZVOQIXYJCRFJCJ-RZFFKMDDSA-N 1 1 319.361 1.214 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000370285624 301308816 /nfs/dbraw/zinc/30/88/16/301308816.db2.gz ONIMVCQAXAVSMO-CHWSQXEVSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000370285624 301308818 /nfs/dbraw/zinc/30/88/18/301308818.db2.gz ONIMVCQAXAVSMO-CHWSQXEVSA-N 1 1 306.366 1.842 20 5 DDBDMO O=[N+]([O-])c1cnn([C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000375381726 301928860 /nfs/dbraw/zinc/92/88/60/301928860.db2.gz TZOBATKCRUQYNJ-SNVBAGLBSA-N 1 1 313.321 1.904 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000376512277 302087840 /nfs/dbraw/zinc/08/78/40/302087840.db2.gz JDHRWABTFYZNIQ-LBPRGKRZSA-N 1 1 304.350 1.487 20 5 DDBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000531918226 303265898 /nfs/dbraw/zinc/26/58/98/303265898.db2.gz APWQKZBWFCKHIR-GXTWGEPZSA-N 1 1 322.365 1.296 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144683 303277198 /nfs/dbraw/zinc/27/71/98/303277198.db2.gz GWLFHOYYWXIAFL-UHFFFAOYSA-N 1 1 303.322 1.705 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000370864271 307138780 /nfs/dbraw/zinc/13/87/80/307138780.db2.gz YUCZNQZSSDSKOF-SNVBAGLBSA-N 1 1 315.333 1.647 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000370864271 307138781 /nfs/dbraw/zinc/13/87/81/307138781.db2.gz YUCZNQZSSDSKOF-SNVBAGLBSA-N 1 1 315.333 1.647 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000373972941 307198743 /nfs/dbraw/zinc/19/87/43/307198743.db2.gz KXMQDAHWEVVUBZ-XHSDSOJGSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373972941 307198744 /nfs/dbraw/zinc/19/87/44/307198744.db2.gz KXMQDAHWEVVUBZ-XHSDSOJGSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000373972941 307198745 /nfs/dbraw/zinc/19/87/45/307198745.db2.gz KXMQDAHWEVVUBZ-XHSDSOJGSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(CC[N@H+]1CCCOCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375366178 307224524 /nfs/dbraw/zinc/22/45/24/307224524.db2.gz JGPTYVNGPRPYQD-UHFFFAOYSA-N 1 1 311.313 1.785 20 5 DDBDMO Cc1nc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666744 307252574 /nfs/dbraw/zinc/25/25/74/307252574.db2.gz VKKXJNTYBVKYAW-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1nc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666744 307252575 /nfs/dbraw/zinc/25/25/75/307252575.db2.gz VKKXJNTYBVKYAW-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000531665063 307621856 /nfs/dbraw/zinc/62/18/56/307621856.db2.gz PIVDEXDLUCWNTJ-AAEUAGOBSA-N 1 1 322.365 1.296 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564893259 308010850 /nfs/dbraw/zinc/01/08/50/308010850.db2.gz KSGQDOJZQFMDII-CYBMUJFWSA-N 1 1 319.409 1.526 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564893259 308010851 /nfs/dbraw/zinc/01/08/51/308010851.db2.gz KSGQDOJZQFMDII-CYBMUJFWSA-N 1 1 319.409 1.526 20 5 DDBDMO COc1ccc(CNC(=O)C[N@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000567364716 308079097 /nfs/dbraw/zinc/07/90/97/308079097.db2.gz SAXSIVFHVKHUCL-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO Cc1c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419331796 533847925 /nfs/dbraw/zinc/84/79/25/533847925.db2.gz RUTJOXPZBVJYDN-QWHCGFSZSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1c(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000331160256 533862825 /nfs/dbraw/zinc/86/28/25/533862825.db2.gz ZZGGGQYJDFYMEW-ZDUSSCGKSA-N 1 1 320.393 1.155 20 5 DDBDMO Cn1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000494355678 534335848 /nfs/dbraw/zinc/33/58/48/534335848.db2.gz HAPPXZWNNHTNFT-AAEUAGOBSA-N 1 1 316.365 1.619 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736571073 598499178 /nfs/dbraw/zinc/49/91/78/598499178.db2.gz PHRRYZCGNLGANA-SECBINFHSA-N 1 1 318.341 1.066 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821266709 606645515 /nfs/dbraw/zinc/64/55/15/606645515.db2.gz GLUHOHHVDHQSRG-UHFFFAOYSA-N 1 1 317.353 1.307 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000746474942 700026151 /nfs/dbraw/zinc/02/61/51/700026151.db2.gz HYWQBLQLCKTLIY-UHFFFAOYSA-N 1 1 320.349 1.229 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000035368065 696128625 /nfs/dbraw/zinc/12/86/25/696128625.db2.gz PRGQZXFWVASXNX-SECBINFHSA-N 1 1 304.755 1.525 20 5 DDBDMO C[N@H+](CC1CCOCC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000124758800 696745934 /nfs/dbraw/zinc/74/59/34/696745934.db2.gz OECVWQLLSIQBKH-UHFFFAOYSA-N 1 1 321.333 1.819 20 5 DDBDMO C[N@@H+](CC1CCOCC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000124758800 696745935 /nfs/dbraw/zinc/74/59/35/696745935.db2.gz OECVWQLLSIQBKH-UHFFFAOYSA-N 1 1 321.333 1.819 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983649727 697286482 /nfs/dbraw/zinc/28/64/82/697286482.db2.gz QUGMIYUTLJXSGW-NMFUWQPSSA-N 1 1 321.352 1.475 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000195157969 697732766 /nfs/dbraw/zinc/73/27/66/697732766.db2.gz CDONLMAPKWWTGA-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588827 698122971 /nfs/dbraw/zinc/12/29/71/698122971.db2.gz CFHPUYIXBYEGLS-CZUORRHYSA-N 1 1 307.394 1.902 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000776593481 698124302 /nfs/dbraw/zinc/12/43/02/698124302.db2.gz JVTARQUHJAORIA-HZPDHXFCSA-N 1 1 321.377 1.035 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000780864926 698564548 /nfs/dbraw/zinc/56/45/48/698564548.db2.gz HCWFWBSYDGOKMP-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526261 699321433 /nfs/dbraw/zinc/32/14/33/699321433.db2.gz ONTOHIGVDKCQEX-GFCCVEGCSA-N 1 1 310.398 1.796 20 5 DDBDMO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526261 699321435 /nfs/dbraw/zinc/32/14/35/699321435.db2.gz ONTOHIGVDKCQEX-GFCCVEGCSA-N 1 1 310.398 1.796 20 5 DDBDMO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526261 699321438 /nfs/dbraw/zinc/32/14/38/699321438.db2.gz ONTOHIGVDKCQEX-GFCCVEGCSA-N 1 1 310.398 1.796 20 5 DDBDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788526261 699321440 /nfs/dbraw/zinc/32/14/40/699321440.db2.gz ONTOHIGVDKCQEX-GFCCVEGCSA-N 1 1 310.398 1.796 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCCCCO)CC1 ZINC000727025439 699395140 /nfs/dbraw/zinc/39/51/40/699395140.db2.gz CTQAFNHFRWZRDA-UHFFFAOYSA-N 1 1 321.377 1.515 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000736221333 699721220 /nfs/dbraw/zinc/72/12/20/699721220.db2.gz XNBNAOSVTJVGNK-OAHLLOKOSA-N 1 1 319.361 1.124 20 5 DDBDMO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742195527 699864904 /nfs/dbraw/zinc/86/49/04/699864904.db2.gz PQWAYABJTPZLTN-NSHDSACASA-N 1 1 309.391 1.849 20 5 DDBDMO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742195527 699864906 /nfs/dbraw/zinc/86/49/06/699864906.db2.gz PQWAYABJTPZLTN-NSHDSACASA-N 1 1 309.391 1.849 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000744408200 699948247 /nfs/dbraw/zinc/94/82/47/699948247.db2.gz OHAADNHEJMQPQW-UHFFFAOYSA-N 1 1 317.349 1.927 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801893265 700351052 /nfs/dbraw/zinc/35/10/52/700351052.db2.gz UKUWOTYFXNCDKV-UHFFFAOYSA-N 1 1 312.345 1.778 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000753803832 700458193 /nfs/dbraw/zinc/45/81/93/700458193.db2.gz ARBVAMVTDIZXLW-UHFFFAOYSA-N 1 1 320.353 1.063 20 5 DDBDMO C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000761080656 700841191 /nfs/dbraw/zinc/84/11/91/700841191.db2.gz VBJCBSXPSPIZPJ-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761400967 700859039 /nfs/dbraw/zinc/85/90/39/700859039.db2.gz CPDBIUITCAKNLY-ZDUSSCGKSA-N 1 1 323.349 1.174 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761400967 700859041 /nfs/dbraw/zinc/85/90/41/700859041.db2.gz CPDBIUITCAKNLY-ZDUSSCGKSA-N 1 1 323.349 1.174 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000763876569 700951472 /nfs/dbraw/zinc/95/14/72/700951472.db2.gz UYGFDXFLXQIWBJ-GJZGRUSLSA-N 1 1 312.366 1.346 20 5 DDBDMO C[C@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000768843149 701208773 /nfs/dbraw/zinc/20/87/73/701208773.db2.gz RIAPOFMRZYXWAD-DTWKUNHWSA-N 1 1 319.408 1.417 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1(C)C ZINC000808005998 701494142 /nfs/dbraw/zinc/49/41/42/701494142.db2.gz OKLYTOLXSBBQTF-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1(C)C ZINC000808005998 701494143 /nfs/dbraw/zinc/49/41/43/701494143.db2.gz OKLYTOLXSBBQTF-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839502368 701718833 /nfs/dbraw/zinc/71/88/33/701718833.db2.gz IIVNKZHHWDBSJX-RBSFLKMASA-N 1 1 303.362 1.605 20 5 DDBDMO C[C@@H]1[C@H](C)OCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867970143 701863226 /nfs/dbraw/zinc/86/32/26/701863226.db2.gz WWQQIXYKRLNUPJ-JRPNMDOOSA-N 1 1 307.350 1.405 20 5 DDBDMO C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)[N@@H+]1C ZINC000840090254 701963137 /nfs/dbraw/zinc/96/31/37/701963137.db2.gz NVMDEWZEJMIFTH-PHIMTYICSA-N 1 1 320.349 1.485 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840458602 702116902 /nfs/dbraw/zinc/11/69/02/702116902.db2.gz CVGROMQSKOONJR-REBRKWNGSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840458602 702116907 /nfs/dbraw/zinc/11/69/07/702116907.db2.gz CVGROMQSKOONJR-REBRKWNGSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840458602 702116911 /nfs/dbraw/zinc/11/69/11/702116911.db2.gz CVGROMQSKOONJR-REBRKWNGSA-N 1 1 303.362 1.431 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564388 706718645 /nfs/dbraw/zinc/71/86/45/706718645.db2.gz ZQNKABISTZYTBL-RYUDHWBXSA-N 1 1 309.391 1.441 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000880308701 706935637 /nfs/dbraw/zinc/93/56/37/706935637.db2.gz KZZWHPIHHJNYSI-OKILXGFUSA-N 1 1 319.361 1.514 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968185 705347104 /nfs/dbraw/zinc/34/71/04/705347104.db2.gz MNTNISDNQSXLPM-NXEZZACHSA-N 1 1 307.354 1.733 20 5 DDBDMO Nc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000863033757 705853435 /nfs/dbraw/zinc/85/34/35/705853435.db2.gz MFORKNSZYOBRSN-CYBMUJFWSA-N 1 1 318.377 1.924 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827328346 705976176 /nfs/dbraw/zinc/97/61/76/705976176.db2.gz DWTPPJCEGZMBLM-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000827339434 705979917 /nfs/dbraw/zinc/97/99/17/705979917.db2.gz TUPMZCUBSQPLLA-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])n1 ZINC000877481125 706119008 /nfs/dbraw/zinc/11/90/08/706119008.db2.gz VSUMMNRUUWXCCA-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000877611813 706159252 /nfs/dbraw/zinc/15/92/52/706159252.db2.gz ATMDAGAZLQVYMH-CQSZACIVSA-N 1 1 305.378 1.462 20 5 DDBDMO COC(=O)Cc1ccc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000828991247 706269494 /nfs/dbraw/zinc/26/94/94/706269494.db2.gz JILOIGGWCUXALI-SWLSCSKDSA-N 1 1 319.361 1.451 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000865998593 706589610 /nfs/dbraw/zinc/58/96/10/706589610.db2.gz NZBNKLIETQHDBD-VIFPVBQESA-N 1 1 314.773 1.900 20 5 DDBDMO O=C1[C@@H]([N@H+]2CC[C@@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296670 706931746 /nfs/dbraw/zinc/93/17/46/706931746.db2.gz FSVYVZSPYRBSOS-FZMZJTMJSA-N 1 1 307.325 1.992 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584088 707027105 /nfs/dbraw/zinc/02/71/05/707027105.db2.gz DWHFYUYSASOAIF-AWEZNQCLSA-N 1 1 306.362 1.958 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000881226502 707158762 /nfs/dbraw/zinc/15/87/62/707158762.db2.gz PHDNOTBNBQASNW-UHFFFAOYSA-N 1 1 305.313 1.970 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780111 707596669 /nfs/dbraw/zinc/59/66/69/707596669.db2.gz JPCLUSJEILYYIA-NXEZZACHSA-N 1 1 303.322 1.804 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000837478087 707659564 /nfs/dbraw/zinc/65/95/64/707659564.db2.gz SNEBUNMUULEAOB-ZDUSSCGKSA-N 1 1 324.381 1.988 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000882489927 707660041 /nfs/dbraw/zinc/66/00/41/707660041.db2.gz HKEQPIFGYNFZRC-JTQLQIEISA-N 1 1 307.306 1.148 20 5 DDBDMO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839472360 708050207 /nfs/dbraw/zinc/05/02/07/708050207.db2.gz OWZLTZNEBMFMTJ-HUUCEWRRSA-N 1 1 305.378 1.810 20 5 DDBDMO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619910 708098912 /nfs/dbraw/zinc/09/89/12/708098912.db2.gz OMGMOUBJDIKLFS-NWDGAFQWSA-N 1 1 306.366 1.702 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912145 708180661 /nfs/dbraw/zinc/18/06/61/708180661.db2.gz OWFPWHPIMGVQTQ-BMIGLBTASA-N 1 1 304.350 1.082 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980285 708675448 /nfs/dbraw/zinc/67/54/48/708675448.db2.gz XXJRVNAKPZMFNO-CYBMUJFWSA-N 1 1 320.393 1.974 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885980285 708675451 /nfs/dbraw/zinc/67/54/51/708675451.db2.gz XXJRVNAKPZMFNO-CYBMUJFWSA-N 1 1 320.393 1.974 20 5 DDBDMO CC(=O)NC1CCC([N@@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886125301 708702312 /nfs/dbraw/zinc/70/23/12/708702312.db2.gz NLOXSPSGUFWJMB-UHFFFAOYSA-N 1 1 306.366 1.869 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000886281193 708735088 /nfs/dbraw/zinc/73/50/88/708735088.db2.gz UOLBDRODCAYVDC-ZDUSSCGKSA-N 1 1 302.338 1.809 20 5 DDBDMO Cc1cccc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000887936630 709172165 /nfs/dbraw/zinc/17/21/65/709172165.db2.gz RAORHTCUYVMZRZ-WBMJQRKESA-N 1 1 303.362 1.927 20 5 DDBDMO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928430892 713192310 /nfs/dbraw/zinc/19/23/10/713192310.db2.gz JUQJTQLZXFDYKF-BSLXNSKLSA-N 1 1 303.362 1.907 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOC(=O)c2cc([N+](=O)[O-])cn2C)CCO1 ZINC000893390499 710631392 /nfs/dbraw/zinc/63/13/92/710631392.db2.gz GXCKKOTVHSKIJJ-NSHDSACASA-N 1 1 311.338 1.201 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000928447858 713201294 /nfs/dbraw/zinc/20/12/94/713201294.db2.gz AHXPGXYLZZGPRL-RNCFNFMXSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000928448993 713201516 /nfs/dbraw/zinc/20/15/16/713201516.db2.gz DGOWJJVFLKARCK-WCBMZHEXSA-N 1 1 307.306 1.146 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000894598620 711202363 /nfs/dbraw/zinc/20/23/63/711202363.db2.gz DFUQMNAIZUJEGB-CHWSQXEVSA-N 1 1 321.381 1.384 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896096664 711675475 /nfs/dbraw/zinc/67/54/75/711675475.db2.gz CBRXXGYNUOADOP-UHFFFAOYSA-N 1 1 309.366 1.520 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000913931063 713321469 /nfs/dbraw/zinc/32/14/69/713321469.db2.gz QGRFUOVZSOMDMA-CYBMUJFWSA-N 1 1 307.354 1.010 20 5 DDBDMO Cc1c(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000907695767 712615173 /nfs/dbraw/zinc/61/51/73/712615173.db2.gz PMMQYGUPWOKQPD-INIZCTEOSA-N 1 1 321.377 1.366 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000917480109 713499389 /nfs/dbraw/zinc/49/93/89/713499389.db2.gz JFACCYBGUCYSHZ-LLVKDONJSA-N 1 1 304.306 1.397 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000917480109 713499391 /nfs/dbraw/zinc/49/93/91/713499391.db2.gz JFACCYBGUCYSHZ-LLVKDONJSA-N 1 1 304.306 1.397 20 5 DDBDMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929887084 713713373 /nfs/dbraw/zinc/71/33/73/713713373.db2.gz JPVSZFVDWYBHOW-SNVBAGLBSA-N 1 1 312.757 1.662 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCO[C@H]3CCOC3)C2)nc1 ZINC000929988913 713729776 /nfs/dbraw/zinc/72/97/76/713729776.db2.gz OOYWMASFHLUNNZ-OCCSQVGLSA-N 1 1 322.365 1.282 20 5 DDBDMO COc1cccc([C@@H]2[C@@H](NCC[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000930353779 713812079 /nfs/dbraw/zinc/81/20/79/713812079.db2.gz KGWLYTVHIBTOOE-JKSUJKDBSA-N 1 1 305.378 1.839 20 5 DDBDMO O=[N+]([O-])CC[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000930816390 713927099 /nfs/dbraw/zinc/92/70/99/713927099.db2.gz KVVIMHIKIGXUST-LLVKDONJSA-N 1 1 308.256 1.875 20 5 DDBDMO CC1(C)CC(=O)NCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000931207612 714036686 /nfs/dbraw/zinc/03/66/86/714036686.db2.gz MOEHFMARTWZVBV-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO COc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c([N+](=O)[O-])cc1F ZINC000931655378 714150792 /nfs/dbraw/zinc/15/07/92/714150792.db2.gz YLORNHQIZMQYGR-LBPRGKRZSA-N 1 1 311.313 1.357 20 5 DDBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000931675905 714158278 /nfs/dbraw/zinc/15/82/78/714158278.db2.gz RJAYMJOBJVIHCH-CYBMUJFWSA-N 1 1 314.313 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C4OCCO4)C3)nc2c1 ZINC000932001120 714229726 /nfs/dbraw/zinc/22/97/26/714229726.db2.gz KMJQDXGDKYVTPB-SNVBAGLBSA-N 1 1 318.333 1.666 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C4OCCO4)C3)nc2c1 ZINC000932001120 714229729 /nfs/dbraw/zinc/22/97/29/714229729.db2.gz KMJQDXGDKYVTPB-SNVBAGLBSA-N 1 1 318.333 1.666 20 5 DDBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923497704 714378812 /nfs/dbraw/zinc/37/88/12/714378812.db2.gz CMVOTGKBZAZCKN-OLZOCXBDSA-N 1 1 320.393 1.474 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000923888152 714484833 /nfs/dbraw/zinc/48/48/33/714484833.db2.gz BYMHKKQBTGBGJV-ZDUSSCGKSA-N 1 1 323.349 1.173 20 5 DDBDMO C[C@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933709696 714652889 /nfs/dbraw/zinc/65/28/89/714652889.db2.gz UMDLCUOOHJWRKQ-PTNZTPPNSA-N 1 1 320.393 1.520 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934333747 714797002 /nfs/dbraw/zinc/79/70/02/714797002.db2.gz QVYVEUAYTZZXPY-NSHDSACASA-N 1 1 307.379 1.812 20 5 DDBDMO CC(C)C[NH+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001164654436 719333849 /nfs/dbraw/zinc/33/38/49/719333849.db2.gz PVRRVLOWBKLOGY-UHFFFAOYSA-N 1 1 314.773 1.660 20 5 DDBDMO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001022063734 734368138 /nfs/dbraw/zinc/36/81/38/734368138.db2.gz KGEPOXCWYXWQBL-WRWGMCAJSA-N 1 1 324.406 1.162 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001121288399 782442655 /nfs/dbraw/zinc/44/26/55/782442655.db2.gz CYDDJYPFDMKZFX-CYBMUJFWSA-N 1 1 324.429 1.193 20 5 DDBDMO C[C@@H](c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001121388798 782486838 /nfs/dbraw/zinc/48/68/38/782486838.db2.gz GTBLLUJGQLZLQR-NSHDSACASA-N 1 1 310.402 1.463 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C1 ZINC001169019737 762199947 /nfs/dbraw/zinc/19/99/47/762199947.db2.gz JEJZIQYLZAAPHA-IIAWOOMASA-N 1 1 317.393 1.577 20 5 DDBDMO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026250 762203273 /nfs/dbraw/zinc/20/32/73/762203273.db2.gz WOEASBNNHKOJIK-ILTLLKDXSA-N 1 1 307.394 1.519 20 5 DDBDMO CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052514 762207884 /nfs/dbraw/zinc/20/78/84/762207884.db2.gz GSFVCUQYRVUDRY-IHRRRGAJSA-N 1 1 312.414 1.604 20 5 DDBDMO COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053577 762208619 /nfs/dbraw/zinc/20/86/19/762208619.db2.gz IZFUONYPSVFUIN-BFHYXJOUSA-N 1 1 321.377 1.989 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055292 762210054 /nfs/dbraw/zinc/21/00/54/762210054.db2.gz PBRGGDSERKFASP-CBBWQLFWSA-N 1 1 315.389 1.176 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823806414 758357382 /nfs/dbraw/zinc/35/73/82/758357382.db2.gz YPMYHQJUKPTZBD-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823806414 758357393 /nfs/dbraw/zinc/35/73/93/758357393.db2.gz YPMYHQJUKPTZBD-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699197 762652778 /nfs/dbraw/zinc/65/27/78/762652778.db2.gz AERZAWWZMZNDRA-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265664 759369202 /nfs/dbraw/zinc/36/92/02/759369202.db2.gz VBZBMNTVFUXNHS-HUUCEWRRSA-N 1 1 303.362 1.694 20 5 DDBDMO CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054265664 759369209 /nfs/dbraw/zinc/36/92/09/759369209.db2.gz VBZBMNTVFUXNHS-HUUCEWRRSA-N 1 1 303.362 1.694 20 5 DDBDMO CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054265664 759369217 /nfs/dbraw/zinc/36/92/17/759369217.db2.gz VBZBMNTVFUXNHS-HUUCEWRRSA-N 1 1 303.362 1.694 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082441 760940177 /nfs/dbraw/zinc/94/01/77/760940177.db2.gz OBRLJHJUKFVBDN-FAAHXZRKSA-N 1 1 321.352 1.475 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084072 760945171 /nfs/dbraw/zinc/94/51/71/760945171.db2.gz BIVXXNVEPIQHQK-ZMJPVWNMSA-N 1 1 323.418 1.440 20 5 DDBDMO Cc1csc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363383 761492690 /nfs/dbraw/zinc/49/26/90/761492690.db2.gz QUHXRIIMRORRRN-DDHJBXDOSA-N 1 1 324.406 1.101 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121698267 782631938 /nfs/dbraw/zinc/63/19/38/782631938.db2.gz FMIPUTPRBXVRJO-NWDGAFQWSA-N 1 1 310.402 1.241 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097052858 771599298 /nfs/dbraw/zinc/59/92/98/771599298.db2.gz BJVVSZGWKOOAHD-HAQNSBGRSA-N 1 1 321.381 1.391 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001135813381 771731767 /nfs/dbraw/zinc/73/17/67/771731767.db2.gz DGQGAANPVMIXPO-LLVKDONJSA-N 1 1 321.381 1.566 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093642030 774939583 /nfs/dbraw/zinc/93/95/83/774939583.db2.gz HCCQOXPZZWQDDO-UHFFFAOYSA-N 1 1 317.349 1.636 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100203974 775816580 /nfs/dbraw/zinc/81/65/80/775816580.db2.gz OAVMLNPRNCQVPO-UHFFFAOYSA-N 1 1 323.397 1.273 20 5 DDBDMO Cc1ccnc(NCCCNC(=O)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001094456815 775894893 /nfs/dbraw/zinc/89/48/93/775894893.db2.gz SBNBSFCNYFLIGA-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001101756588 777479157 /nfs/dbraw/zinc/47/91/57/777479157.db2.gz FLJUHOZOPPDCNI-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO O=C1OCC[C@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001177001138 778383705 /nfs/dbraw/zinc/38/37/05/778383705.db2.gz BZDITDKELZAOGV-AWEZNQCLSA-N 1 1 321.289 1.642 20 5 DDBDMO O=C1OCC[C@]12CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001177001138 778383713 /nfs/dbraw/zinc/38/37/13/778383713.db2.gz BZDITDKELZAOGV-AWEZNQCLSA-N 1 1 321.289 1.642 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001177513970 778630590 /nfs/dbraw/zinc/63/05/90/778630590.db2.gz KYMQLGJOJFBONV-UHFFFAOYSA-N 1 1 306.297 1.923 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001119984891 781709517 /nfs/dbraw/zinc/70/95/17/781709517.db2.gz WZNLULNCDVLPPQ-STQMWFEESA-N 1 1 306.366 1.334 20 5 DDBDMO CC[N@H+](CCNC(=O)c1cnco1)Cc1ccccc1[N+](=O)[O-] ZINC001266406115 836214673 /nfs/dbraw/zinc/21/46/73/836214673.db2.gz UZNDLCKGEVRCDA-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cnco1)Cc1ccccc1[N+](=O)[O-] ZINC001266406115 836214680 /nfs/dbraw/zinc/21/46/80/836214680.db2.gz UZNDLCKGEVRCDA-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3N)[C@@H]2C1 ZINC001142701853 861237257 /nfs/dbraw/zinc/23/72/57/861237257.db2.gz GNQQVCJPBOJEIQ-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](C/C=C\Cl)CC1 ZINC001270878955 843004698 /nfs/dbraw/zinc/00/46/98/843004698.db2.gz GTCFZSIPJWVKDQ-YNNXIKFZSA-N 1 1 315.801 1.622 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326838086 861647216 /nfs/dbraw/zinc/64/72/16/861647216.db2.gz AFNXLKZGSVWKEA-UPJWGTAASA-N 1 1 308.382 1.630 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326838086 861647224 /nfs/dbraw/zinc/64/72/24/861647224.db2.gz AFNXLKZGSVWKEA-UPJWGTAASA-N 1 1 308.382 1.630 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156836517 863384520 /nfs/dbraw/zinc/38/45/20/863384520.db2.gz KOPWEIPPPMRQDD-SNVBAGLBSA-N 1 1 307.354 1.032 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001156828108 863372156 /nfs/dbraw/zinc/37/21/56/863372156.db2.gz JTIAZRBHDDXRMB-AWEZNQCLSA-N 1 1 320.393 1.853 20 5 DDBDMO C[N@@H+]1CCC[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001157264859 863693271 /nfs/dbraw/zinc/69/32/71/863693271.db2.gz GEPSZCIJDYKNPW-ONGXEEELSA-N 1 1 312.757 1.412 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001157264859 863693276 /nfs/dbraw/zinc/69/32/76/863693276.db2.gz GEPSZCIJDYKNPW-ONGXEEELSA-N 1 1 312.757 1.412 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@H+](C)CC12CCCC2 ZINC001158409835 864635985 /nfs/dbraw/zinc/63/59/85/864635985.db2.gz BTWSTAGCMHQKLS-UHFFFAOYSA-N 1 1 306.366 1.601 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330963588 864740758 /nfs/dbraw/zinc/74/07/58/864740758.db2.gz FOGSMMGTFHWSNE-AWEZNQCLSA-N 1 1 304.350 1.714 20 5 DDBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001225629919 881944417 /nfs/dbraw/zinc/94/44/17/881944417.db2.gz SUPDTKQTLZJECC-FMSGJZPZSA-N 1 1 321.333 1.535 20 5 DDBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001324437770 867279614 /nfs/dbraw/zinc/27/96/14/867279614.db2.gz BXZIUFYWYHXUNM-HUUCEWRRSA-N 1 1 319.361 1.325 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001334111557 867303393 /nfs/dbraw/zinc/30/33/93/867303393.db2.gz VQFUAHYIAXTKMY-RYUDHWBXSA-N 1 1 323.397 1.336 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001325147783 867819848 /nfs/dbraw/zinc/81/98/48/867819848.db2.gz NKHVAGSBBZOYGZ-UHFFFAOYSA-N 1 1 316.317 1.800 20 5 DDBDMO Cc1nc(NCCCN2CCC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC001325179654 867844699 /nfs/dbraw/zinc/84/46/99/867844699.db2.gz HJIRTYBQDJLLBN-UHFFFAOYSA-N 1 1 308.386 1.133 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC001325179654 867844705 /nfs/dbraw/zinc/84/47/05/867844705.db2.gz HJIRTYBQDJLLBN-UHFFFAOYSA-N 1 1 308.386 1.133 20 5 DDBDMO Cc1nc(NCCC[N@@H+]2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC001325179654 867844717 /nfs/dbraw/zinc/84/47/17/867844717.db2.gz HJIRTYBQDJLLBN-UHFFFAOYSA-N 1 1 308.386 1.133 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC001163063114 868047524 /nfs/dbraw/zinc/04/75/24/868047524.db2.gz YFDYYDWDWYESQF-HNNXBMFYSA-N 1 1 322.365 1.422 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC001335442052 868299206 /nfs/dbraw/zinc/29/92/06/868299206.db2.gz VWJSTCPDWTWLGM-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC001335442052 868299214 /nfs/dbraw/zinc/29/92/14/868299214.db2.gz VWJSTCPDWTWLGM-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NCCn1cc[nH+]c1C ZINC001163932736 868804138 /nfs/dbraw/zinc/80/41/38/868804138.db2.gz AWKPNSPZNONZQU-UHFFFAOYSA-N 1 1 305.294 1.393 20 5 DDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173994 882251520 /nfs/dbraw/zinc/25/15/20/882251520.db2.gz VTTMPCGUKWSSCR-QHBPRCKVSA-N 1 1 319.361 1.803 20 5 DDBDMO Cc1cc(NCC2(N(C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164210350 869017344 /nfs/dbraw/zinc/01/73/44/869017344.db2.gz BRIGVIIICLNFRW-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001336836578 869174087 /nfs/dbraw/zinc/17/40/87/869174087.db2.gz IOTRVKKINRNRJA-DGCLKSJQSA-N 1 1 308.407 1.712 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001337289147 869417629 /nfs/dbraw/zinc/41/76/29/869417629.db2.gz MJAGDDMYRLENJR-CSOLROPVSA-N 1 1 306.362 1.721 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)C1 ZINC001165260875 869475300 /nfs/dbraw/zinc/47/53/00/869475300.db2.gz KMLSVRJIOOCEGR-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001337735048 869611067 /nfs/dbraw/zinc/61/10/67/869611067.db2.gz RRJVFKFRLHUQKX-LSDHHAIUSA-N 1 1 318.377 1.993 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001340012696 870838228 /nfs/dbraw/zinc/83/82/28/870838228.db2.gz TVFQQSITVPWUBU-CHWSQXEVSA-N 1 1 324.429 1.426 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001341343888 871614733 /nfs/dbraw/zinc/61/47/33/871614733.db2.gz JFYXXXOYBVLAAJ-QEJZJMRPSA-N 1 1 318.377 1.734 20 5 DDBDMO CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319019243 872399727 /nfs/dbraw/zinc/39/97/27/872399727.db2.gz QQDHQIDUQZRYSY-HUUCEWRRSA-N 1 1 311.426 1.916 20 5 DDBDMO CNc1nccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001349784650 875365841 /nfs/dbraw/zinc/36/58/41/875365841.db2.gz LENVALQPGXSWMK-NSHDSACASA-N 1 1 319.365 1.342 20 5 DDBDMO C[N@@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227498051 883046878 /nfs/dbraw/zinc/04/68/78/883046878.db2.gz KPKOBEHVNDUHIT-MRVPVSSYSA-N 1 1 312.238 1.494 20 5 DDBDMO C[N@H+]1CC[C@@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227498051 883046895 /nfs/dbraw/zinc/04/68/95/883046895.db2.gz KPKOBEHVNDUHIT-MRVPVSSYSA-N 1 1 312.238 1.494 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001352971972 877047103 /nfs/dbraw/zinc/04/71/03/877047103.db2.gz YHXZOYKECKIWJG-SNVBAGLBSA-N 1 1 321.381 1.715 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001352971972 877047120 /nfs/dbraw/zinc/04/71/20/877047120.db2.gz YHXZOYKECKIWJG-SNVBAGLBSA-N 1 1 321.381 1.715 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001352971972 877047133 /nfs/dbraw/zinc/04/71/33/877047133.db2.gz YHXZOYKECKIWJG-SNVBAGLBSA-N 1 1 321.381 1.715 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001222773192 880693063 /nfs/dbraw/zinc/69/30/63/880693063.db2.gz IJHJJMAVWWEDCR-LLVKDONJSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[N@H+]1CC[C@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641647 881038229 /nfs/dbraw/zinc/03/82/29/881038229.db2.gz BWAWFJWQFFSOLE-SMDDNHRTSA-N 1 1 308.334 1.920 20 5 DDBDMO CC[N@@H+]1CC[C@@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808570 883679423 /nfs/dbraw/zinc/67/94/23/883679423.db2.gz CBCBNWVUYDESCG-SECBINFHSA-N 1 1 310.306 1.560 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808570 883679429 /nfs/dbraw/zinc/67/94/29/883679429.db2.gz CBCBNWVUYDESCG-SECBINFHSA-N 1 1 310.306 1.560 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001254474693 896456679 /nfs/dbraw/zinc/45/66/79/896456679.db2.gz SVXRQHSQOFNNGX-BLLLJJGKSA-N 1 1 305.378 1.876 20 5 DDBDMO O=C1OC[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254602289 896527021 /nfs/dbraw/zinc/52/70/21/896527021.db2.gz CRDDCHAPHCZJPJ-UONOGXRCSA-N 1 1 303.318 1.198 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254602289 896527034 /nfs/dbraw/zinc/52/70/34/896527034.db2.gz CRDDCHAPHCZJPJ-UONOGXRCSA-N 1 1 303.318 1.198 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612476 896532977 /nfs/dbraw/zinc/53/29/77/896532977.db2.gz WTGHAYFTYDWFBV-ZBFHGGJFSA-N 1 1 304.346 1.947 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001295987745 916165374 /nfs/dbraw/zinc/16/53/74/916165374.db2.gz CUFWUJWKNYMSMF-UHFFFAOYSA-N 1 1 300.278 1.615 20 5 DDBDMO NC(=O)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079192529 185161290 /nfs/dbraw/zinc/16/12/90/185161290.db2.gz JJDJNAUJKCBEJH-AWEZNQCLSA-N 1 1 307.350 1.704 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451432902 231093518 /nfs/dbraw/zinc/09/35/18/231093518.db2.gz OPRWQZOGZCNAHA-ZDUSSCGKSA-N 1 1 302.277 1.676 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000319271561 231182233 /nfs/dbraw/zinc/18/22/33/231182233.db2.gz FBEGNJRNQYUUQH-AWEZNQCLSA-N 1 1 309.341 1.640 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000319271561 231182235 /nfs/dbraw/zinc/18/22/35/231182235.db2.gz FBEGNJRNQYUUQH-AWEZNQCLSA-N 1 1 309.341 1.640 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452135389 231316455 /nfs/dbraw/zinc/31/64/55/231316455.db2.gz VWWUZLUEUSBKAP-HIFRSBDPSA-N 1 1 324.377 1.429 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452135390 231316594 /nfs/dbraw/zinc/31/65/94/231316594.db2.gz VWWUZLUEUSBKAP-UKRRQHHQSA-N 1 1 324.377 1.429 20 5 DDBDMO CCOC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549243 185302539 /nfs/dbraw/zinc/30/25/39/185302539.db2.gz TUJQOAGNSNJDSH-ZDUSSCGKSA-N 1 1 309.366 1.505 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255113671 282233357 /nfs/dbraw/zinc/23/33/57/282233357.db2.gz BDECBPOLLZTWIK-FPLPWBNLSA-N 1 1 321.377 1.693 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000457082139 231982535 /nfs/dbraw/zinc/98/25/35/231982535.db2.gz DOWWDCGNNOAHGB-LLVKDONJSA-N 1 1 309.370 1.366 20 5 DDBDMO C[N@@H+](Cc1cnccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181963653 199367839 /nfs/dbraw/zinc/36/78/39/199367839.db2.gz OLXVJFRTXVVZKQ-CYBMUJFWSA-N 1 1 318.333 1.257 20 5 DDBDMO C[N@H+](Cc1cnccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181963653 199367841 /nfs/dbraw/zinc/36/78/41/199367841.db2.gz OLXVJFRTXVVZKQ-CYBMUJFWSA-N 1 1 318.333 1.257 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000173342857 186178303 /nfs/dbraw/zinc/17/83/03/186178303.db2.gz GLKFXPQJPUGLLK-ZDUSSCGKSA-N 1 1 322.365 1.331 20 5 DDBDMO CC(C)(O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189945979 186253135 /nfs/dbraw/zinc/25/31/35/186253135.db2.gz BSFBPXXAWMFSMN-ZDUSSCGKSA-N 1 1 324.377 1.570 20 5 DDBDMO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000266849092 186358407 /nfs/dbraw/zinc/35/84/07/186358407.db2.gz QBOPVBYYCFYYRJ-QWHCGFSZSA-N 1 1 308.382 1.580 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171651756 197961140 /nfs/dbraw/zinc/96/11/40/197961140.db2.gz KFYBSRSFPXVESE-LLVKDONJSA-N 1 1 313.379 1.185 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000172298880 198073681 /nfs/dbraw/zinc/07/36/81/198073681.db2.gz QHRMWKLIQDYILM-OAHLLOKOSA-N 1 1 310.350 1.447 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026198155 352206407 /nfs/dbraw/zinc/20/64/07/352206407.db2.gz GPOINSKHXWILSI-GZBFAFLISA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026198155 352206411 /nfs/dbraw/zinc/20/64/11/352206411.db2.gz GPOINSKHXWILSI-GZBFAFLISA-N 1 1 324.377 1.834 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046995086 352475419 /nfs/dbraw/zinc/47/54/19/352475419.db2.gz DHVZYKURDPKTGB-CHWSQXEVSA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000067717839 353064063 /nfs/dbraw/zinc/06/40/63/353064063.db2.gz HSVGKVAMVXBPOD-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO CNC(=O)CC[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173636174 198234248 /nfs/dbraw/zinc/23/42/48/198234248.db2.gz OTKJRWGVHQHGSM-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072714446 353210678 /nfs/dbraw/zinc/21/06/78/353210678.db2.gz JRSVQZPDZCJNEG-SMDDNHRTSA-N 1 1 307.350 1.403 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000174643868 198364829 /nfs/dbraw/zinc/36/48/29/198364829.db2.gz KLZHNMDTAZWZQP-UHFFFAOYSA-N 1 1 312.345 1.778 20 5 DDBDMO CCC[N@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076951619 353445151 /nfs/dbraw/zinc/44/51/51/353445151.db2.gz NDHRRYIVEILUOC-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO CCC[N@@H+](CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076951619 353445152 /nfs/dbraw/zinc/44/51/52/353445152.db2.gz NDHRRYIVEILUOC-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[N@@H+](CCCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174732915 198376954 /nfs/dbraw/zinc/37/69/54/198376954.db2.gz LYTPRIKMITZHMW-INIZCTEOSA-N 1 1 318.377 1.717 20 5 DDBDMO C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752891 198379871 /nfs/dbraw/zinc/37/98/71/198379871.db2.gz JXKPKNZWVOZHHW-PWSUYJOCSA-N 1 1 310.379 1.907 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000154690767 354207424 /nfs/dbraw/zinc/20/74/24/354207424.db2.gz JUYJFLYYQLDMHT-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000154690767 354207426 /nfs/dbraw/zinc/20/74/26/354207426.db2.gz JUYJFLYYQLDMHT-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000584787607 354770041 /nfs/dbraw/zinc/77/00/41/354770041.db2.gz GCSDLYHWRCYLRO-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CN(C(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012325 355040263 /nfs/dbraw/zinc/04/02/63/355040263.db2.gz QWZXLAMFDMQCFV-IUODEOHRSA-N 1 1 318.377 1.194 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000590012853 355041269 /nfs/dbraw/zinc/04/12/69/355041269.db2.gz ZWWMMEGCKZHOJH-HZMBPMFUSA-N 1 1 301.350 1.607 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402433 355085604 /nfs/dbraw/zinc/08/56/04/355085604.db2.gz UDGVNVRIDJSCJA-LSDHHAIUSA-N 1 1 319.361 1.530 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655895 355139124 /nfs/dbraw/zinc/13/91/24/355139124.db2.gz CRLUBNDLXSHCSK-OCCSQVGLSA-N 1 1 322.361 1.974 20 5 DDBDMO C[C@H](O)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056165 355239272 /nfs/dbraw/zinc/23/92/72/355239272.db2.gz CXRWCONQMQRKHM-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056165 355239276 /nfs/dbraw/zinc/23/92/76/355239276.db2.gz CXRWCONQMQRKHM-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000591505240 355322116 /nfs/dbraw/zinc/32/21/16/355322116.db2.gz TUHUIZSJGQFRAO-NWDGAFQWSA-N 1 1 322.361 1.832 20 5 DDBDMO Cc1[nH]c2nc[nH+]c(NCCn3cc([N+](=O)[O-])cn3)c2c1C ZINC000591923926 355436123 /nfs/dbraw/zinc/43/61/23/355436123.db2.gz PHXOLQBOBNCGIE-UHFFFAOYSA-N 1 1 301.310 1.792 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196861 355533404 /nfs/dbraw/zinc/53/34/04/355533404.db2.gz ZBTSKBUMEQDYDC-TZMCWYRMSA-N 1 1 324.381 1.186 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209141 355539057 /nfs/dbraw/zinc/53/90/57/355539057.db2.gz VKGULDRGKUIRCK-SCRDCRAPSA-N 1 1 322.361 1.820 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027794 356094146 /nfs/dbraw/zinc/09/41/46/356094146.db2.gz ZVFYKPXMTXZKLD-ZFWWWQNUSA-N 1 1 324.381 1.186 20 5 DDBDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594065806 356103499 /nfs/dbraw/zinc/10/34/99/356103499.db2.gz UZHSQUVKMKCUQO-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595357114 356463074 /nfs/dbraw/zinc/46/30/74/356463074.db2.gz YNHHWJOUKPHQHY-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO O=C1N=NCN1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595466604 356504004 /nfs/dbraw/zinc/50/40/04/356504004.db2.gz WDNUITFAEZYANT-UHFFFAOYSA-N 1 1 321.312 1.868 20 5 DDBDMO O=C1C[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521969 356532166 /nfs/dbraw/zinc/53/21/66/356532166.db2.gz HHNSATOMPDZWQN-OCCSQVGLSA-N 1 1 303.362 1.910 20 5 DDBDMO CC[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536898 356539187 /nfs/dbraw/zinc/53/91/87/356539187.db2.gz XAMZZABQUBYAQY-GFCCVEGCSA-N 1 1 320.393 1.610 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608462 356575920 /nfs/dbraw/zinc/57/59/20/356575920.db2.gz QOCXKCFXVNPXGE-LLVKDONJSA-N 1 1 305.313 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595783355 356650796 /nfs/dbraw/zinc/65/07/96/356650796.db2.gz MWDYWEXGRXMKMX-VNHYZAJKSA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595755968 356637503 /nfs/dbraw/zinc/63/75/03/356637503.db2.gz AIKUTPIQUQCJRW-BLLLJJGKSA-N 1 1 319.361 1.689 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000595835711 356671379 /nfs/dbraw/zinc/67/13/79/356671379.db2.gz XBKCYAWIPLJJGY-GFCCVEGCSA-N 1 1 308.334 1.057 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596122836 356781104 /nfs/dbraw/zinc/78/11/04/356781104.db2.gz PAMNQKYNZWLCAH-SECBINFHSA-N 1 1 300.746 1.198 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596122836 356781107 /nfs/dbraw/zinc/78/11/07/356781107.db2.gz PAMNQKYNZWLCAH-SECBINFHSA-N 1 1 300.746 1.198 20 5 DDBDMO COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596143228 356789898 /nfs/dbraw/zinc/78/98/98/356789898.db2.gz ZWSIVLBAYHYKJW-UHFFFAOYSA-N 1 1 310.354 1.074 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)c1 ZINC000596170219 356801049 /nfs/dbraw/zinc/80/10/49/356801049.db2.gz YKVYKFUXZIMQML-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596137026 356787431 /nfs/dbraw/zinc/78/74/31/356787431.db2.gz OCOUWMXJLSARGC-PWSUYJOCSA-N 1 1 306.366 1.613 20 5 DDBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[N@@H+](C)C1 ZINC000597943990 357393083 /nfs/dbraw/zinc/39/30/83/357393083.db2.gz BMJVVPBLGFJEHV-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598040870 357438401 /nfs/dbraw/zinc/43/84/01/357438401.db2.gz IEBRLNFSCDHNGY-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000598341646 357544578 /nfs/dbraw/zinc/54/45/78/357544578.db2.gz FFOHHSVQAUMUMV-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000598342278 357545380 /nfs/dbraw/zinc/54/53/80/357545380.db2.gz LMGHEJPVDZDDOA-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650811 357670599 /nfs/dbraw/zinc/67/05/99/357670599.db2.gz OXQNQBOIWBPGGZ-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650811 357670604 /nfs/dbraw/zinc/67/06/04/357670604.db2.gz OXQNQBOIWBPGGZ-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599671895 358018339 /nfs/dbraw/zinc/01/83/39/358018339.db2.gz KJARKPSPVAHVRM-PHIMTYICSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1c(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599701487 358032251 /nfs/dbraw/zinc/03/22/51/358032251.db2.gz IZSQLHGKCQSNQV-NSHDSACASA-N 1 1 308.338 1.091 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600315546 358193736 /nfs/dbraw/zinc/19/37/36/358193736.db2.gz UVTQJTUPOHPTQF-CYBMUJFWSA-N 1 1 323.397 1.338 20 5 DDBDMO CC(C)(C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600531629 358250046 /nfs/dbraw/zinc/25/00/46/358250046.db2.gz HGSVJSABEVBWLB-GFCCVEGCSA-N 1 1 321.377 1.055 20 5 DDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C[N@@H+]1C ZINC000601137120 358416861 /nfs/dbraw/zinc/41/68/61/358416861.db2.gz TVBJAUHYINMSQL-SFYZADRCSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C[N@H+]1C ZINC000601137120 358416864 /nfs/dbraw/zinc/41/68/64/358416864.db2.gz TVBJAUHYINMSQL-SFYZADRCSA-N 1 1 321.303 1.876 20 5 DDBDMO Cc1nn(C)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149160 358422568 /nfs/dbraw/zinc/42/25/68/358422568.db2.gz KBGQDAVFLFNBMJ-HNNXBMFYSA-N 1 1 304.350 1.634 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601179329 358436325 /nfs/dbraw/zinc/43/63/25/358436325.db2.gz QKIJRAUIFGOUFN-UHFFFAOYSA-N 1 1 312.345 1.676 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602451260 358984411 /nfs/dbraw/zinc/98/44/11/358984411.db2.gz FEMLDTARSXEHAW-LBPRGKRZSA-N 1 1 304.350 1.711 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602451260 358984417 /nfs/dbraw/zinc/98/44/17/358984417.db2.gz FEMLDTARSXEHAW-LBPRGKRZSA-N 1 1 304.350 1.711 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ncnn21 ZINC000602832341 359223334 /nfs/dbraw/zinc/22/33/34/359223334.db2.gz UPMLFLLCGUVUBB-ZDUSSCGKSA-N 1 1 301.350 1.848 20 5 DDBDMO CO[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964529 359327777 /nfs/dbraw/zinc/32/77/77/359327777.db2.gz QZKMVBBUWMCDFW-CABCVRRESA-N 1 1 310.350 1.445 20 5 DDBDMO CO[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000602965035 359329157 /nfs/dbraw/zinc/32/91/57/359329157.db2.gz YDDXYAJCFPXIQG-HUUCEWRRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186879230 200026316 /nfs/dbraw/zinc/02/63/16/200026316.db2.gz FJBBQDJVHUNRMA-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187007392 200046237 /nfs/dbraw/zinc/04/62/37/200046237.db2.gz LGRKVBSWWMXUKK-GHMZBOCLSA-N 1 1 322.365 1.546 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000281095453 216076898 /nfs/dbraw/zinc/07/68/98/216076898.db2.gz RXINFMKIJCYETJ-BETUJISGSA-N 1 1 319.361 1.302 20 5 DDBDMO Cc1cc(OCC(=O)N(C)CC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000281121435 216093175 /nfs/dbraw/zinc/09/31/75/216093175.db2.gz ULBQKCWDMTVKFE-UHFFFAOYSA-N 1 1 321.377 1.835 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188704567 200290586 /nfs/dbraw/zinc/29/05/86/200290586.db2.gz FWUUQNGPLJLNFO-NSHDSACASA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000188704567 200290589 /nfs/dbraw/zinc/29/05/89/200290589.db2.gz FWUUQNGPLJLNFO-NSHDSACASA-N 1 1 307.350 1.042 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2CO1 ZINC000281201897 216150797 /nfs/dbraw/zinc/15/07/97/216150797.db2.gz CLXHUEQMRUVWRN-KWCYVHTRSA-N 1 1 321.333 1.059 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609919667 360364706 /nfs/dbraw/zinc/36/47/06/360364706.db2.gz WWQNTAJVGAJIJP-ZDUSSCGKSA-N 1 1 322.365 1.115 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610213851 360391905 /nfs/dbraw/zinc/39/19/05/360391905.db2.gz WYGNJOUZVOJJDX-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000610213851 360391908 /nfs/dbraw/zinc/39/19/08/360391908.db2.gz WYGNJOUZVOJJDX-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO O=C([C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610453353 360440627 /nfs/dbraw/zinc/44/06/27/360440627.db2.gz XFYNYNWNQLZZJA-CYBMUJFWSA-N 1 1 321.381 1.126 20 5 DDBDMO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610899191 360566251 /nfs/dbraw/zinc/56/62/51/360566251.db2.gz DTBTYTVAZKCQIQ-ZWNOBZJWSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899191 360566255 /nfs/dbraw/zinc/56/62/55/360566255.db2.gz DTBTYTVAZKCQIQ-ZWNOBZJWSA-N 1 1 308.338 1.435 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092457 360620705 /nfs/dbraw/zinc/62/07/05/360620705.db2.gz UQRMQOSOMUEWKW-LLVKDONJSA-N 1 1 306.366 1.220 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000611092425 360621905 /nfs/dbraw/zinc/62/19/05/360621905.db2.gz UESDFZPNADHCDF-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611528070 360749162 /nfs/dbraw/zinc/74/91/62/360749162.db2.gz BPJFSVPSCRHTDX-NSHDSACASA-N 1 1 304.350 1.391 20 5 DDBDMO Cc1cc([N+](=O)[O-])nn1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000612605180 361079291 /nfs/dbraw/zinc/07/92/91/361079291.db2.gz IELZJPXQHKJIQA-AWEZNQCLSA-N 1 1 304.350 1.593 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359086612 299324069 /nfs/dbraw/zinc/32/40/69/299324069.db2.gz VZAZVOBQPBDIPZ-UHFFFAOYSA-N 1 1 321.381 1.229 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C(C)(C)CO)CC1 ZINC000619481706 364030750 /nfs/dbraw/zinc/03/07/50/364030750.db2.gz YIYPDQQDJYJPRE-UHFFFAOYSA-N 1 1 311.386 1.013 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619566995 364063615 /nfs/dbraw/zinc/06/36/15/364063615.db2.gz GUILFSCCCUILBY-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO O=C(CC[N@H+](CCCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000619718055 364129462 /nfs/dbraw/zinc/12/94/62/364129462.db2.gz SIVFEZHQNBNKAV-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@H](C)c2nncn2C)c([N+](=O)[O-])c1 ZINC000275164362 212163295 /nfs/dbraw/zinc/16/32/95/212163295.db2.gz JPEGAWIMGKVZPD-JTQLQIEISA-N 1 1 321.337 1.462 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCCC[C@H]1C ZINC000350014785 284132336 /nfs/dbraw/zinc/13/23/36/284132336.db2.gz QMUXUGYLPUOYTD-GHMZBOCLSA-N 1 1 321.381 1.565 20 5 DDBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350487488 284205654 /nfs/dbraw/zinc/20/56/54/284205654.db2.gz ZNBBBRJACONNRB-KGLIPLIRSA-N 1 1 323.397 1.513 20 5 DDBDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350487488 284205657 /nfs/dbraw/zinc/20/56/57/284205657.db2.gz ZNBBBRJACONNRB-KGLIPLIRSA-N 1 1 323.397 1.513 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000264954366 204300821 /nfs/dbraw/zinc/30/08/21/204300821.db2.gz VCLHFWKWQWDHLX-LLVKDONJSA-N 1 1 323.397 1.875 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000265028007 204351818 /nfs/dbraw/zinc/35/18/18/204351818.db2.gz XAOGHFNITUKAIH-CYBMUJFWSA-N 1 1 323.397 1.480 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288205036 220016992 /nfs/dbraw/zinc/01/69/92/220016992.db2.gz CAXGOXISPFUSLE-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000274879553 212003975 /nfs/dbraw/zinc/00/39/75/212003975.db2.gz HTFCEOYJEXLGRG-JTQLQIEISA-N 1 1 308.338 1.677 20 5 DDBDMO COc1ccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351501990 284349126 /nfs/dbraw/zinc/34/91/26/284349126.db2.gz YQKLZXUMUABKEY-UBHSHLNASA-N 1 1 321.377 1.651 20 5 DDBDMO C[C@@H]1C[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000267798274 206290334 /nfs/dbraw/zinc/29/03/34/206290334.db2.gz KNGGUMPOSJYHHJ-NXEZZACHSA-N 1 1 321.333 1.850 20 5 DDBDMO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351983689 284687688 /nfs/dbraw/zinc/68/76/88/284687688.db2.gz IRKIBTDMVWUXQZ-UHFFFAOYSA-N 1 1 308.334 1.988 20 5 DDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273973720 211229721 /nfs/dbraw/zinc/22/97/21/211229721.db2.gz PQEFANZNIHOBEK-UHFFFAOYSA-N 1 1 311.363 1.135 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000338717661 250102613 /nfs/dbraw/zinc/10/26/13/250102613.db2.gz ZHMOSLPDTWTUHV-UHFFFAOYSA-N 1 1 303.322 1.701 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000285264907 218358045 /nfs/dbraw/zinc/35/80/45/218358045.db2.gz DGMJXAXZVGHEDD-OKILXGFUSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000285264907 218358047 /nfs/dbraw/zinc/35/80/47/218358047.db2.gz DGMJXAXZVGHEDD-OKILXGFUSA-N 1 1 319.361 1.593 20 5 DDBDMO CNC(=O)NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064349999 184295553 /nfs/dbraw/zinc/29/55/53/184295553.db2.gz QNFGPBZLBHPTDR-UHFFFAOYSA-N 1 1 322.365 1.651 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000269159272 207284422 /nfs/dbraw/zinc/28/44/22/207284422.db2.gz APJHZENUJBSFQX-ZJUUUORDSA-N 1 1 317.349 1.589 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000298019042 533138640 /nfs/dbraw/zinc/13/86/40/533138640.db2.gz AZTXOZPQKAWCHV-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451671835 533221628 /nfs/dbraw/zinc/22/16/28/533221628.db2.gz ZNHBWLTZGBIFGM-BETUJISGSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000422711133 533222072 /nfs/dbraw/zinc/22/20/72/533222072.db2.gz GRAUZRNZMPFUIJ-DGCLKSJQSA-N 1 1 309.366 1.460 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422718203 533222410 /nfs/dbraw/zinc/22/24/10/533222410.db2.gz PIEMKJNPXZSSRX-JKSUJKDBSA-N 1 1 321.377 1.460 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000299690376 533554283 /nfs/dbraw/zinc/55/42/83/533554283.db2.gz VWTLYVGPBKJMKC-QWHCGFSZSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1ccnc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000569739209 304376168 /nfs/dbraw/zinc/37/61/68/304376168.db2.gz LHQSCHXQXSSHPZ-CYBMUJFWSA-N 1 1 301.350 1.984 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000068899947 406669863 /nfs/dbraw/zinc/66/98/63/406669863.db2.gz USPRWOBORLEFDZ-UHFFFAOYSA-N 1 1 309.370 1.172 20 5 DDBDMO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000045851952 407049607 /nfs/dbraw/zinc/04/96/07/407049607.db2.gz CMFBKZHZJSNQHI-CQSZACIVSA-N 1 1 307.398 1.674 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349354 407122012 /nfs/dbraw/zinc/12/20/12/407122012.db2.gz IOJGJPVYXVTRLG-HNNXBMFYSA-N 1 1 319.361 1.200 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349354 407122017 /nfs/dbraw/zinc/12/20/17/407122017.db2.gz IOJGJPVYXVTRLG-HNNXBMFYSA-N 1 1 319.361 1.200 20 5 DDBDMO CN(CC[NH+]1CCCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000103117963 407331482 /nfs/dbraw/zinc/33/14/82/407331482.db2.gz AMRMNIGIDNNIIY-UHFFFAOYSA-N 1 1 317.349 1.639 20 5 DDBDMO C[NH+](C)C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068079699 407294415 /nfs/dbraw/zinc/29/44/15/407294415.db2.gz IQJQLTBJSQHBPL-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111262950 407402928 /nfs/dbraw/zinc/40/29/28/407402928.db2.gz QWIJDSXXOHTKFC-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(Cl)c1 ZINC000127015825 407426101 /nfs/dbraw/zinc/42/61/01/407426101.db2.gz TYMHWJJCVDNCEN-NSHDSACASA-N 1 1 318.782 1.915 20 5 DDBDMO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000127330617 407433968 /nfs/dbraw/zinc/43/39/68/407433968.db2.gz QSMOMDWADOKXPB-UHFFFAOYSA-N 1 1 321.381 1.845 20 5 DDBDMO C[C@@H](C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000266541449 407552124 /nfs/dbraw/zinc/55/21/24/407552124.db2.gz QCHAPEJHYKOPMU-BBRMVZONSA-N 1 1 318.377 1.888 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178780309 407598264 /nfs/dbraw/zinc/59/82/64/407598264.db2.gz FHUVDBOOGVKANM-SWLSCSKDSA-N 1 1 319.361 1.668 20 5 DDBDMO CC(C)(CC(N)=O)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186234327 407616869 /nfs/dbraw/zinc/61/68/69/407616869.db2.gz TUMUDYCASPBANC-UHFFFAOYSA-N 1 1 319.321 1.388 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000152359174 407621188 /nfs/dbraw/zinc/62/11/88/407621188.db2.gz HDPGCOCPCULSQK-UHFFFAOYSA-N 1 1 315.395 1.663 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1[N+](=O)[O-] ZINC000178850782 407624671 /nfs/dbraw/zinc/62/46/71/407624671.db2.gz RBIVBPFDJCSFLE-SECBINFHSA-N 1 1 309.370 1.470 20 5 DDBDMO CCN(C)C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000153512032 407841183 /nfs/dbraw/zinc/84/11/83/407841183.db2.gz BBJXIGPASNABMT-GFCCVEGCSA-N 1 1 321.381 1.344 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272336842 407873357 /nfs/dbraw/zinc/87/33/57/407873357.db2.gz MLXBGIVGXBNKDP-GFCCVEGCSA-N 1 1 313.304 1.897 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000262583743 407874894 /nfs/dbraw/zinc/87/48/94/407874894.db2.gz ZKILLPCTQGZJHB-MRXNPFEDSA-N 1 1 304.394 1.117 20 5 DDBDMO CC(C)NC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470802 407882453 /nfs/dbraw/zinc/88/24/53/407882453.db2.gz XFEOEDCLGOGLQS-LBPRGKRZSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[N@H+]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118827024 407948393 /nfs/dbraw/zinc/94/83/93/407948393.db2.gz HFVOEAYYINJYEI-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000154015117 407952019 /nfs/dbraw/zinc/95/20/19/407952019.db2.gz LSQNYWKGZOECNO-UMVBOHGHSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272520980 407961583 /nfs/dbraw/zinc/96/15/83/407961583.db2.gz PWWGFRJQIGPQFO-BBRMVZONSA-N 1 1 317.389 1.998 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268242968 407964131 /nfs/dbraw/zinc/96/41/31/407964131.db2.gz VGABIQLVQBMZAW-GWCFXTLKSA-N 1 1 319.361 1.816 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174120546 407918674 /nfs/dbraw/zinc/91/86/74/407918674.db2.gz NAWNDYRJJGMMJQ-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO COc1cc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000268162899 407924315 /nfs/dbraw/zinc/92/43/15/407924315.db2.gz NVJPHEQUORXCFF-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272596237 408001691 /nfs/dbraw/zinc/00/16/91/408001691.db2.gz IMISXLNLOUTTKI-YGRLFVJLSA-N 1 1 304.350 1.343 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273121061 408065063 /nfs/dbraw/zinc/06/50/63/408065063.db2.gz HMMOILAFVIHNSM-YRGRVCCFSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245778838 408068183 /nfs/dbraw/zinc/06/81/83/408068183.db2.gz LWQMDCPVJAABLM-RKDXNWHRSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245778838 408068189 /nfs/dbraw/zinc/06/81/89/408068189.db2.gz LWQMDCPVJAABLM-RKDXNWHRSA-N 1 1 315.757 1.888 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182224872 408100153 /nfs/dbraw/zinc/10/01/53/408100153.db2.gz BXARNSSQBODSOK-SWLSCSKDSA-N 1 1 324.377 1.570 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000182259727 408111118 /nfs/dbraw/zinc/11/11/18/408111118.db2.gz RLDNYIMREMTOMM-NEPJUHHUSA-N 1 1 312.391 1.772 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246206935 408176778 /nfs/dbraw/zinc/17/67/78/408176778.db2.gz AARMECHHBSQGDS-DOMZBBRYSA-N 1 1 318.377 1.702 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000263650788 408189060 /nfs/dbraw/zinc/18/90/60/408189060.db2.gz GTNLQRBKMGYRHH-NSHDSACASA-N 1 1 323.397 1.875 20 5 DDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182625916 408208903 /nfs/dbraw/zinc/20/89/03/408208903.db2.gz QOBRXDPWTZDNBD-LLVKDONJSA-N 1 1 311.338 1.030 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000190313981 408219589 /nfs/dbraw/zinc/21/95/89/408219589.db2.gz VXOHONXKZMVCSY-UHFFFAOYSA-N 1 1 316.308 1.497 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000191027638 408361560 /nfs/dbraw/zinc/36/15/60/408361560.db2.gz MXISDSAKSDEWLF-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000183376735 408393800 /nfs/dbraw/zinc/39/38/00/408393800.db2.gz WKOCYRFOOGVRMF-UHFFFAOYSA-N 1 1 314.345 1.555 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000183376735 408393804 /nfs/dbraw/zinc/39/38/04/408393804.db2.gz WKOCYRFOOGVRMF-UHFFFAOYSA-N 1 1 314.345 1.555 20 5 DDBDMO COc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094004 408516512 /nfs/dbraw/zinc/51/65/12/408516512.db2.gz IWCMWSZXSGEZSB-JQWIXIFHSA-N 1 1 319.361 1.958 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177094021 408517167 /nfs/dbraw/zinc/51/71/67/408517167.db2.gz IWCMWSZXSGEZSB-ZYHUDNBSSA-N 1 1 319.361 1.958 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000160834784 408530014 /nfs/dbraw/zinc/53/00/14/408530014.db2.gz QVYJPWWUFGRZFH-CQSZACIVSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000264891203 408549165 /nfs/dbraw/zinc/54/91/65/408549165.db2.gz SNMYGTPWJNZLSD-UHFFFAOYSA-N 1 1 322.283 1.968 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(O)CC1 ZINC000177341945 408584026 /nfs/dbraw/zinc/58/40/26/408584026.db2.gz PXUZJAKBXPRKOG-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177159455 408540037 /nfs/dbraw/zinc/54/00/37/408540037.db2.gz QULFGRXFEHRGLQ-QWRGUYRKSA-N 1 1 319.361 1.958 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270841175 408704131 /nfs/dbraw/zinc/70/41/31/408704131.db2.gz FFHZRDOSDQBJOY-CQSZACIVSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270841175 408704132 /nfs/dbraw/zinc/70/41/32/408704132.db2.gz FFHZRDOSDQBJOY-CQSZACIVSA-N 1 1 319.361 1.800 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000270882007 408723938 /nfs/dbraw/zinc/72/39/38/408723938.db2.gz KGILFXLFFMUKSD-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000270882007 408723944 /nfs/dbraw/zinc/72/39/44/408723944.db2.gz KGILFXLFFMUKSD-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000249146435 408698316 /nfs/dbraw/zinc/69/83/16/408698316.db2.gz ULPXXBLXQSENTR-MWLCHTKSSA-N 1 1 308.338 1.108 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1O ZINC000249568584 408743002 /nfs/dbraw/zinc/74/30/02/408743002.db2.gz NOXJMGAIKGNBIV-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1O ZINC000249568584 408743011 /nfs/dbraw/zinc/74/30/11/408743011.db2.gz NOXJMGAIKGNBIV-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000194837169 408801034 /nfs/dbraw/zinc/80/10/34/408801034.db2.gz TWVSMOBYVKFRDO-UHFFFAOYSA-N 1 1 310.354 1.354 20 5 DDBDMO C[C@@]1(O)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000178009874 408757206 /nfs/dbraw/zinc/75/72/06/408757206.db2.gz IWGZOWCQTBSZGB-CQSZACIVSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@]1(O)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000178009874 408757210 /nfs/dbraw/zinc/75/72/10/408757210.db2.gz IWGZOWCQTBSZGB-CQSZACIVSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@]1(O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000178025292 408759125 /nfs/dbraw/zinc/75/91/25/408759125.db2.gz XXYVXOHCOWLMPD-CQSZACIVSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@]1(O)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000178025292 408759131 /nfs/dbraw/zinc/75/91/31/408759131.db2.gz XXYVXOHCOWLMPD-CQSZACIVSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290839174 408841203 /nfs/dbraw/zinc/84/12/03/408841203.db2.gz VQPLXSDNOHAHHA-KOLCDFICSA-N 1 1 304.350 1.731 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)CO ZINC000292037211 408966080 /nfs/dbraw/zinc/96/60/80/408966080.db2.gz ACLJBZCRDILFNY-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292051291 408970762 /nfs/dbraw/zinc/97/07/62/408970762.db2.gz BGXKXBUEIQABQF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292051291 408970764 /nfs/dbraw/zinc/97/07/64/408970764.db2.gz BGXKXBUEIQABQF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@H]1Cc1ccccc1 ZINC000286374315 408972304 /nfs/dbraw/zinc/97/23/04/408972304.db2.gz DGSYFXIGSBEANE-CQSZACIVSA-N 1 1 313.361 1.748 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000292074132 408974586 /nfs/dbraw/zinc/97/45/86/408974586.db2.gz LPHPESPCPLEAQY-GFCCVEGCSA-N 1 1 308.382 1.852 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000277791495 409012825 /nfs/dbraw/zinc/01/28/25/409012825.db2.gz NJIXGLTXAXHXQR-UWVGGRQHSA-N 1 1 321.337 1.022 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288610874 409172761 /nfs/dbraw/zinc/17/27/61/409172761.db2.gz WZXQKNDXZAYYJQ-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000288610874 409172765 /nfs/dbraw/zinc/17/27/65/409172765.db2.gz WZXQKNDXZAYYJQ-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000283597681 409183215 /nfs/dbraw/zinc/18/32/15/409183215.db2.gz QJSWEKMYLZBQCM-HNNXBMFYSA-N 1 1 308.382 1.946 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280301329 409287397 /nfs/dbraw/zinc/28/73/97/409287397.db2.gz FTKIORFUJPQEIM-UHOFOFEASA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280301329 409287399 /nfs/dbraw/zinc/28/73/99/409287399.db2.gz FTKIORFUJPQEIM-UHOFOFEASA-N 1 1 322.361 1.508 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295498739 409318286 /nfs/dbraw/zinc/31/82/86/409318286.db2.gz PBGBMBXMUBAYGJ-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000290458406 409408839 /nfs/dbraw/zinc/40/88/39/409408839.db2.gz YBFNZIPHZFTLKE-LLVKDONJSA-N 1 1 322.365 1.378 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285595586 409503016 /nfs/dbraw/zinc/50/30/16/409503016.db2.gz VTRWQXOYNOQUFS-UHFFFAOYSA-N 1 1 315.333 1.106 20 5 DDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285595586 409503017 /nfs/dbraw/zinc/50/30/17/409503017.db2.gz VTRWQXOYNOQUFS-UHFFFAOYSA-N 1 1 315.333 1.106 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000295486448 409503340 /nfs/dbraw/zinc/50/33/40/409503340.db2.gz AFJOVXQONNPUAR-UHFFFAOYSA-N 1 1 300.746 1.512 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCO1 ZINC000345051014 409606740 /nfs/dbraw/zinc/60/67/40/409606740.db2.gz JFTCDUUAMAJHTE-NSHDSACASA-N 1 1 322.365 1.248 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342471211 409659848 /nfs/dbraw/zinc/65/98/48/409659848.db2.gz WUPHNLZKBSKSRV-YGRLFVJLSA-N 1 1 319.361 1.816 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356979642 409765722 /nfs/dbraw/zinc/76/57/22/409765722.db2.gz DMPQLUPTUSTFHT-OLZOCXBDSA-N 1 1 320.393 1.866 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000332024451 409811151 /nfs/dbraw/zinc/81/11/51/409811151.db2.gz ZYTCQYXWZHDMCZ-XHSDSOJGSA-N 1 1 306.362 1.957 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000332024451 409811157 /nfs/dbraw/zinc/81/11/57/409811157.db2.gz ZYTCQYXWZHDMCZ-XHSDSOJGSA-N 1 1 306.362 1.957 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3COCCO3)CC2)c1 ZINC000354633012 409983368 /nfs/dbraw/zinc/98/33/68/409983368.db2.gz OOJDQAGNJGFVKJ-OAHLLOKOSA-N 1 1 307.350 1.132 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298288921 410166713 /nfs/dbraw/zinc/16/67/13/410166713.db2.gz IFPWOMWYPSKKFA-LLVKDONJSA-N 1 1 321.381 1.765 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000351773561 410223723 /nfs/dbraw/zinc/22/37/23/410223723.db2.gz HFFCSLWHRYPXEV-CABZTGNLSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000351773561 410223727 /nfs/dbraw/zinc/22/37/27/410223727.db2.gz HFFCSLWHRYPXEV-CABZTGNLSA-N 1 1 304.306 1.457 20 5 DDBDMO Cc1sc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000358080520 410355129 /nfs/dbraw/zinc/35/51/29/410355129.db2.gz UAOMSHIXXLHFIX-UHFFFAOYSA-N 1 1 323.378 1.694 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000357849205 410293211 /nfs/dbraw/zinc/29/32/11/410293211.db2.gz BHKVKDNENYZMGY-UHFFFAOYSA-N 1 1 307.354 1.232 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347015245 410315524 /nfs/dbraw/zinc/31/55/24/410315524.db2.gz VYWVSPFFUUZRQY-LBPRGKRZSA-N 1 1 304.350 1.607 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000298626051 410320631 /nfs/dbraw/zinc/32/06/31/410320631.db2.gz DGODCZSNIXGGQS-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CO)C1 ZINC000298626051 410320638 /nfs/dbraw/zinc/32/06/38/410320638.db2.gz DGODCZSNIXGGQS-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298729431 410370181 /nfs/dbraw/zinc/37/01/81/410370181.db2.gz SEKVNJQCBGUXCF-NWDGAFQWSA-N 1 1 305.338 1.127 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000298840258 410421303 /nfs/dbraw/zinc/42/13/03/410421303.db2.gz HKWJQPAIXSAQGC-QWRGUYRKSA-N 1 1 324.381 1.541 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339779716 410456008 /nfs/dbraw/zinc/45/60/08/410456008.db2.gz XGRTVAHADKJEEF-OAHLLOKOSA-N 1 1 321.377 1.648 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339779716 410456015 /nfs/dbraw/zinc/45/60/15/410456015.db2.gz XGRTVAHADKJEEF-OAHLLOKOSA-N 1 1 321.377 1.648 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343472010 410476754 /nfs/dbraw/zinc/47/67/54/410476754.db2.gz ZGDWPQBAXGHDIO-QWHCGFSZSA-N 1 1 320.393 1.630 20 5 DDBDMO CCOc1cc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000347335132 410479691 /nfs/dbraw/zinc/47/96/91/410479691.db2.gz NKQHOKHAALBMNA-BETUJISGSA-N 1 1 310.350 1.311 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000355589742 410594641 /nfs/dbraw/zinc/59/46/41/410594641.db2.gz YBFKIOBCFGJSOJ-UHFFFAOYSA-N 1 1 324.333 1.103 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347521639 410597352 /nfs/dbraw/zinc/59/73/52/410597352.db2.gz MTYFLNNZGHFOFE-UHFFFAOYSA-N 1 1 306.326 1.043 20 5 DDBDMO CC[N@@H+](C[C@@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202911 410543228 /nfs/dbraw/zinc/54/32/28/410543228.db2.gz NLQALLCWHRECLO-PWSUYJOCSA-N 1 1 309.366 1.933 20 5 DDBDMO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000330585669 410802407 /nfs/dbraw/zinc/80/24/07/410802407.db2.gz LMJAWGNPQMDSOE-IPYPFGDCSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330585669 410802413 /nfs/dbraw/zinc/80/24/13/410802413.db2.gz LMJAWGNPQMDSOE-IPYPFGDCSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330585669 410802418 /nfs/dbraw/zinc/80/24/18/410802418.db2.gz LMJAWGNPQMDSOE-IPYPFGDCSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)C[C@H]1C ZINC000330663418 410858673 /nfs/dbraw/zinc/85/86/73/410858673.db2.gz FCCVQLYOJRHALH-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000356253897 410922380 /nfs/dbraw/zinc/92/23/80/410922380.db2.gz NKZSBITVCYXNFV-OAHLLOKOSA-N 1 1 321.381 1.369 20 5 DDBDMO C[C@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344127849 410974231 /nfs/dbraw/zinc/97/42/31/410974231.db2.gz KDROLZXLTLMFNA-QWHCGFSZSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344127849 410974234 /nfs/dbraw/zinc/97/42/34/410974234.db2.gz KDROLZXLTLMFNA-QWHCGFSZSA-N 1 1 321.377 1.650 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC(O)C1 ZINC000353473737 411011837 /nfs/dbraw/zinc/01/18/37/411011837.db2.gz VBFUAKJVPXNERP-UHFFFAOYSA-N 1 1 307.350 1.687 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353488483 411022686 /nfs/dbraw/zinc/02/26/86/411022686.db2.gz HOWGHRJPRRNSHX-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCCn1cc[nH+]c1C ZINC000129725278 196071222 /nfs/dbraw/zinc/07/12/22/196071222.db2.gz WTTKDTTWSWKFQO-UHFFFAOYSA-N 1 1 320.353 1.201 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035522 418571365 /nfs/dbraw/zinc/57/13/65/418571365.db2.gz NWHVANVFSOLSMD-GFCCVEGCSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035522 418571367 /nfs/dbraw/zinc/57/13/67/418571367.db2.gz NWHVANVFSOLSMD-GFCCVEGCSA-N 1 1 305.382 1.570 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000189309505 222042355 /nfs/dbraw/zinc/04/23/55/222042355.db2.gz PAIVTQZEVCATCD-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000189309505 222042358 /nfs/dbraw/zinc/04/23/58/222042358.db2.gz PAIVTQZEVCATCD-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000291018244 222075488 /nfs/dbraw/zinc/07/54/88/222075488.db2.gz SGASAAWLOGLQLG-LLVKDONJSA-N 1 1 311.386 1.336 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015951 418588315 /nfs/dbraw/zinc/58/83/15/418588315.db2.gz DHABDNAWXQEBJG-ABAIWWIYSA-N 1 1 318.377 1.220 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cccc1[N+](=O)[O-] ZINC000361213209 418607274 /nfs/dbraw/zinc/60/72/74/418607274.db2.gz QCHLAQITNSQUEA-LLVKDONJSA-N 1 1 322.365 1.087 20 5 DDBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291302887 222298690 /nfs/dbraw/zinc/29/86/90/222298690.db2.gz SFLRKVBFFHHDFR-GFCCVEGCSA-N 1 1 309.366 1.914 20 5 DDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291302887 222298693 /nfs/dbraw/zinc/29/86/93/222298693.db2.gz SFLRKVBFFHHDFR-GFCCVEGCSA-N 1 1 309.366 1.914 20 5 DDBDMO Nc1ccc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834584 418642917 /nfs/dbraw/zinc/64/29/17/418642917.db2.gz GKDITEHNWZUOBW-STQMWFEESA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834584 418642921 /nfs/dbraw/zinc/64/29/21/418642921.db2.gz GKDITEHNWZUOBW-STQMWFEESA-N 1 1 306.366 1.842 20 5 DDBDMO O=[N+]([O-])c1cnn([C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000375381725 418632539 /nfs/dbraw/zinc/63/25/39/418632539.db2.gz TZOBATKCRUQYNJ-JTQLQIEISA-N 1 1 313.321 1.904 20 5 DDBDMO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400324 418634636 /nfs/dbraw/zinc/63/46/36/418634636.db2.gz BUPXGKJSNJVKFQ-STQMWFEESA-N 1 1 323.397 1.684 20 5 DDBDMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400324 418634638 /nfs/dbraw/zinc/63/46/38/418634638.db2.gz BUPXGKJSNJVKFQ-STQMWFEESA-N 1 1 323.397 1.684 20 5 DDBDMO COc1ccc(C[N@@H+](C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000362023312 418740725 /nfs/dbraw/zinc/74/07/25/418740725.db2.gz HYJRROFQCXCXPI-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000364961221 418827727 /nfs/dbraw/zinc/82/77/27/418827727.db2.gz YAOHNDLEYFUKHU-GXFFZTMASA-N 1 1 319.390 2.551 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365631936 418884781 /nfs/dbraw/zinc/88/47/81/418884781.db2.gz RUARDFNILZLJGN-NSHDSACASA-N 1 1 320.349 1.442 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000420966309 419388230 /nfs/dbraw/zinc/38/82/30/419388230.db2.gz VBLOFDOAZGSXIY-ZFWWWQNUSA-N 1 1 308.382 1.664 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412111120 419672901 /nfs/dbraw/zinc/67/29/01/419672901.db2.gz VQTMZJJUJBKXEK-HIFRSBDPSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412111120 419672905 /nfs/dbraw/zinc/67/29/05/419672905.db2.gz VQTMZJJUJBKXEK-HIFRSBDPSA-N 1 1 324.377 1.557 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000421705316 419690456 /nfs/dbraw/zinc/69/04/56/419690456.db2.gz QZLAUXLJRUMRJM-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000421902516 419763297 /nfs/dbraw/zinc/76/32/97/419763297.db2.gz UXPSHEMLMVPKEY-CYBMUJFWSA-N 1 1 321.377 1.350 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000421902516 419763302 /nfs/dbraw/zinc/76/33/02/419763302.db2.gz UXPSHEMLMVPKEY-CYBMUJFWSA-N 1 1 321.377 1.350 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430265356 420097794 /nfs/dbraw/zinc/09/77/94/420097794.db2.gz UZISAMBOHPKNEI-OAHLLOKOSA-N 1 1 317.349 1.429 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000430265356 420097799 /nfs/dbraw/zinc/09/77/99/420097799.db2.gz UZISAMBOHPKNEI-OAHLLOKOSA-N 1 1 317.349 1.429 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)nc2c1 ZINC000444689731 230121968 /nfs/dbraw/zinc/12/19/68/230121968.db2.gz OQTYTQARUOFPNU-PXWWUCIGSA-N 1 1 302.334 1.674 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)nc2c1 ZINC000444689731 230121969 /nfs/dbraw/zinc/12/19/69/230121969.db2.gz OQTYTQARUOFPNU-PXWWUCIGSA-N 1 1 302.334 1.674 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457130105 420626730 /nfs/dbraw/zinc/62/67/30/420626730.db2.gz RCXZLZBOMDHQSA-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457130105 420626732 /nfs/dbraw/zinc/62/67/32/420626732.db2.gz RCXZLZBOMDHQSA-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000444830514 420759528 /nfs/dbraw/zinc/75/95/28/420759528.db2.gz WNTPDWJZGCATNH-STQMWFEESA-N 1 1 308.382 1.498 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)C(C)C ZINC000455662337 421052124 /nfs/dbraw/zinc/05/21/24/421052124.db2.gz KQTKSPFEUQTLGY-UHFFFAOYSA-N 1 1 309.370 1.492 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000455996172 421086148 /nfs/dbraw/zinc/08/61/48/421086148.db2.gz OZMSABPLEXPVTN-MFKMUULPSA-N 1 1 319.365 1.198 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724936 421108733 /nfs/dbraw/zinc/10/87/33/421108733.db2.gz AXHIHJCOCBBSEZ-WDEREUQCSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489268548 421142727 /nfs/dbraw/zinc/14/27/27/421142727.db2.gz MSPKXGAXGXGEQD-MRXNPFEDSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489268548 421142729 /nfs/dbraw/zinc/14/27/29/421142729.db2.gz MSPKXGAXGXGEQD-MRXNPFEDSA-N 1 1 319.361 1.689 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000456387420 421157936 /nfs/dbraw/zinc/15/79/36/421157936.db2.gz SNBOMWFWQRXTGI-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO CCc1nn(C)c(N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000574898175 422209149 /nfs/dbraw/zinc/20/91/49/422209149.db2.gz HEASUWOBIJBEAC-NSHDSACASA-N 1 1 307.398 1.811 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@H](O)C3)ccc2c1 ZINC000599198979 422404717 /nfs/dbraw/zinc/40/47/17/422404717.db2.gz DKRKSDKCRMYNMU-ZDUSSCGKSA-N 1 1 302.334 1.622 20 5 DDBDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186017245 263395419 /nfs/dbraw/zinc/39/54/19/263395419.db2.gz FWLHAEHFIFPBQC-GFCCVEGCSA-N 1 1 313.741 1.195 20 5 DDBDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000186017245 263395421 /nfs/dbraw/zinc/39/54/21/263395421.db2.gz FWLHAEHFIFPBQC-GFCCVEGCSA-N 1 1 313.741 1.195 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000337576271 271035200 /nfs/dbraw/zinc/03/52/00/271035200.db2.gz GGEODQHESYTMGO-UHFFFAOYSA-N 1 1 315.333 1.216 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193462243 273540726 /nfs/dbraw/zinc/54/07/26/273540726.db2.gz AWEMZPNMEAJAMB-UHFFFAOYSA-N 1 1 308.382 1.724 20 5 DDBDMO CC[N@@H+](CCO)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274461100 276132837 /nfs/dbraw/zinc/13/28/37/276132837.db2.gz XNFKKKDLNKHGGG-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO CCN(CCO)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274461100 276132838 /nfs/dbraw/zinc/13/28/38/276132838.db2.gz XNFKKKDLNKHGGG-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000091081889 279057389 /nfs/dbraw/zinc/05/73/89/279057389.db2.gz XRRSZGRJULLEGD-GFCCVEGCSA-N 1 1 304.354 1.968 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284576030 290169846 /nfs/dbraw/zinc/16/98/46/290169846.db2.gz OUVMIJWTABCKFZ-NEPJUHHUSA-N 1 1 312.757 1.553 20 5 DDBDMO O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295550 300246275 /nfs/dbraw/zinc/24/62/75/300246275.db2.gz HVUGFFZWCLUJPT-GJZGRUSLSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295550 300246277 /nfs/dbraw/zinc/24/62/77/300246277.db2.gz HVUGFFZWCLUJPT-GJZGRUSLSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295550 300246279 /nfs/dbraw/zinc/24/62/79/300246279.db2.gz HVUGFFZWCLUJPT-GJZGRUSLSA-N 1 1 309.410 1.766 20 5 DDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000368005008 300931416 /nfs/dbraw/zinc/93/14/16/300931416.db2.gz GQDNWADPQKMTHL-SNVBAGLBSA-N 1 1 315.276 1.283 20 5 DDBDMO CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012210 301119099 /nfs/dbraw/zinc/11/90/99/301119099.db2.gz UMXJYJZBBXLXBR-TZMCWYRMSA-N 1 1 312.370 1.214 20 5 DDBDMO CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376236463 302054402 /nfs/dbraw/zinc/05/44/02/302054402.db2.gz GVLHRFWZKGSTSX-FOSCPWQOSA-N 1 1 316.365 1.699 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000377963507 302257806 /nfs/dbraw/zinc/25/78/06/302257806.db2.gz UYDKLOYVNBJCGI-MGPQQGTHSA-N 1 1 305.382 1.207 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878014 303262943 /nfs/dbraw/zinc/26/29/43/303262943.db2.gz CCDYWVUAYPCOHL-SNVBAGLBSA-N 1 1 303.322 1.561 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397205 303284929 /nfs/dbraw/zinc/28/49/29/303284929.db2.gz AZCIKGZNLDMMBM-ZDUSSCGKSA-N 1 1 318.377 1.794 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000532873516 303300102 /nfs/dbraw/zinc/30/01/02/303300102.db2.gz PCRBDDJMHNKITI-DGCLKSJQSA-N 1 1 306.366 1.490 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000365018716 307056524 /nfs/dbraw/zinc/05/65/24/307056524.db2.gz ORTLMWBXFZELFR-IAQYHMDHSA-N 1 1 318.377 1.485 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CN1 ZINC000369483085 307121401 /nfs/dbraw/zinc/12/14/01/307121401.db2.gz GDKYUPSPEKDYBW-CQSZACIVSA-N 1 1 320.305 1.215 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CN1 ZINC000369483085 307121402 /nfs/dbraw/zinc/12/14/02/307121402.db2.gz GDKYUPSPEKDYBW-CQSZACIVSA-N 1 1 320.305 1.215 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372265761 307166658 /nfs/dbraw/zinc/16/66/58/307166658.db2.gz BTLHOFYTRSRNQR-UHFFFAOYSA-N 1 1 318.337 1.160 20 5 DDBDMO CSC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294468 307167656 /nfs/dbraw/zinc/16/76/56/307167656.db2.gz JNMAYJPFDUZMTI-ZYHUDNBSSA-N 1 1 300.384 1.152 20 5 DDBDMO CCOC(=O)CCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373587933 307190794 /nfs/dbraw/zinc/19/07/94/307190794.db2.gz ZLPALCRXDDSVGM-LBPRGKRZSA-N 1 1 310.354 1.772 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000374055083 307201319 /nfs/dbraw/zinc/20/13/19/307201319.db2.gz RISDQJSMWXPTBB-LBPRGKRZSA-N 1 1 304.354 1.580 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000374055083 307201320 /nfs/dbraw/zinc/20/13/20/307201320.db2.gz RISDQJSMWXPTBB-LBPRGKRZSA-N 1 1 304.354 1.580 20 5 DDBDMO C[C@H]1[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC12CCOCC2 ZINC000375243276 307219515 /nfs/dbraw/zinc/21/95/15/307219515.db2.gz WICBLJBSSBMTMH-CYBMUJFWSA-N 1 1 321.377 1.648 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000376642890 307251188 /nfs/dbraw/zinc/25/11/88/307251188.db2.gz MLLUEUZLLUSESB-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO CCc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000571880795 308205440 /nfs/dbraw/zinc/20/54/40/308205440.db2.gz HZRQHQBXQXPOLS-SNVBAGLBSA-N 1 1 313.379 1.140 20 5 DDBDMO Cc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488736631 484216859 /nfs/dbraw/zinc/21/68/59/484216859.db2.gz VIZKZPOXXSEUNP-NTZNESFSSA-N 1 1 307.398 1.803 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000158062331 523725732 /nfs/dbraw/zinc/72/57/32/523725732.db2.gz KUBLSILTVRREKE-MGPQQGTHSA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000158062331 523725737 /nfs/dbraw/zinc/72/57/37/523725737.db2.gz KUBLSILTVRREKE-MGPQQGTHSA-N 1 1 310.354 1.060 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154783556 525712203 /nfs/dbraw/zinc/71/22/03/525712203.db2.gz ALQFSOYTBYEBRJ-RNCFNFMXSA-N 1 1 310.310 1.634 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154783556 525712211 /nfs/dbraw/zinc/71/22/11/525712211.db2.gz ALQFSOYTBYEBRJ-RNCFNFMXSA-N 1 1 310.310 1.634 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820127058 606702771 /nfs/dbraw/zinc/70/27/71/606702771.db2.gz ICWANCVJOOSPGO-SECBINFHSA-N 1 1 318.341 1.065 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000748487044 700121335 /nfs/dbraw/zinc/12/13/35/700121335.db2.gz VQYUPMJHXWLPSM-GFCCVEGCSA-N 1 1 323.349 1.174 20 5 DDBDMO CCOC(=O)CC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000154869825 696938545 /nfs/dbraw/zinc/93/85/45/696938545.db2.gz IYYQVUFEOAUZJA-LBPRGKRZSA-N 1 1 310.354 1.804 20 5 DDBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000154869825 696938549 /nfs/dbraw/zinc/93/85/49/696938549.db2.gz IYYQVUFEOAUZJA-LBPRGKRZSA-N 1 1 310.354 1.804 20 5 DDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749953224 700194436 /nfs/dbraw/zinc/19/44/36/700194436.db2.gz CJFAQWQAHJMRJY-GFCCVEGCSA-N 1 1 319.365 1.964 20 5 DDBDMO Cc1nccnc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000783243628 698824118 /nfs/dbraw/zinc/82/41/18/698824118.db2.gz ONGVXCKJVUBETB-LLVKDONJSA-N 1 1 315.333 1.983 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000787326588 699206178 /nfs/dbraw/zinc/20/61/78/699206178.db2.gz IMCGWWXDCBCSOX-GDLCADMTSA-N 1 1 308.334 1.512 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000711786616 699259640 /nfs/dbraw/zinc/25/96/40/699259640.db2.gz RAWJXEVIOZRPMR-KCJUWKMLSA-N 1 1 318.782 1.771 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000744800164 699961341 /nfs/dbraw/zinc/96/13/41/699961341.db2.gz UIPAULPENBVXKW-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751951369 700329877 /nfs/dbraw/zinc/32/98/77/700329877.db2.gz TVGCNHYJPYNOHR-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000751951369 700329881 /nfs/dbraw/zinc/32/98/81/700329881.db2.gz TVGCNHYJPYNOHR-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000755980973 700597271 /nfs/dbraw/zinc/59/72/71/700597271.db2.gz YEGUUMFXYPHVIX-CQSZACIVSA-N 1 1 314.313 1.792 20 5 DDBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761075299 700839702 /nfs/dbraw/zinc/83/97/02/700839702.db2.gz DODGVOIISCJACE-LBPRGKRZSA-N 1 1 309.366 1.618 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761095495 700843203 /nfs/dbraw/zinc/84/32/03/700843203.db2.gz QPCZIXIBTXVFHD-PWSUYJOCSA-N 1 1 303.318 1.987 20 5 DDBDMO C/C(=C/C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721491 700904533 /nfs/dbraw/zinc/90/45/33/700904533.db2.gz NKJAXMPIXPXARU-CKDIWJPDSA-N 1 1 319.361 1.181 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000763268524 700932612 /nfs/dbraw/zinc/93/26/12/700932612.db2.gz SXNFQVWGTYCFOX-GFCCVEGCSA-N 1 1 323.349 1.443 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCCn1cc[nH+]c1C ZINC000767618272 701123578 /nfs/dbraw/zinc/12/35/78/701123578.db2.gz MOAKDOTYMGWNRR-UHFFFAOYSA-N 1 1 321.337 1.628 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000769220545 701237194 /nfs/dbraw/zinc/23/71/94/701237194.db2.gz MCERGUOIDGXQHK-HUUCEWRRSA-N 1 1 308.334 1.120 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000769220545 701237196 /nfs/dbraw/zinc/23/71/96/701237196.db2.gz MCERGUOIDGXQHK-HUUCEWRRSA-N 1 1 308.334 1.120 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000807987421 701493422 /nfs/dbraw/zinc/49/34/22/701493422.db2.gz LHVZBCVGBFYGEC-SNVBAGLBSA-N 1 1 324.356 1.872 20 5 DDBDMO COC(C)(C)CN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927186 701834998 /nfs/dbraw/zinc/83/49/98/701834998.db2.gz CQMKMTHSYLNHSQ-HNNXBMFYSA-N 1 1 309.366 1.652 20 5 DDBDMO CN(C[C@H]1CCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945227 701846782 /nfs/dbraw/zinc/84/67/82/701846782.db2.gz BANUTZZDIYCQNI-ABAIWWIYSA-N 1 1 307.350 1.264 20 5 DDBDMO C[N@H+](CC1CC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839969359 701884010 /nfs/dbraw/zinc/88/40/10/701884010.db2.gz OARUWVOBJLCVNS-HNNXBMFYSA-N 1 1 305.334 1.831 20 5 DDBDMO C[N@@H+](CC1CC1)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839969359 701884015 /nfs/dbraw/zinc/88/40/15/701884015.db2.gz OARUWVOBJLCVNS-HNNXBMFYSA-N 1 1 305.334 1.831 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000816953611 702237956 /nfs/dbraw/zinc/23/79/56/702237956.db2.gz KJWUOKUPMYUVMQ-GXFFZTMASA-N 1 1 307.325 1.818 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC000879362636 706661365 /nfs/dbraw/zinc/66/13/65/706661365.db2.gz XXLHLULSCNVKOX-SWLSCSKDSA-N 1 1 310.350 1.039 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000869284010 702552775 /nfs/dbraw/zinc/55/27/75/702552775.db2.gz CCJDNDGOUJSJKJ-LBPRGKRZSA-N 1 1 309.341 1.877 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[N@H+]1CCO ZINC000842163525 702678645 /nfs/dbraw/zinc/67/86/45/702678645.db2.gz PEVFRQXIONNIRI-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO NS(=O)(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538349 706727223 /nfs/dbraw/zinc/72/72/23/706727223.db2.gz AWZIKRYLTUTKDZ-LBPRGKRZSA-N 1 1 313.379 1.063 20 5 DDBDMO NS(=O)(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831538349 706727225 /nfs/dbraw/zinc/72/72/25/706727225.db2.gz AWZIKRYLTUTKDZ-LBPRGKRZSA-N 1 1 313.379 1.063 20 5 DDBDMO O=C1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538570 706727887 /nfs/dbraw/zinc/72/78/87/706727887.db2.gz FEQNXDSZNFNWOX-OCCSQVGLSA-N 1 1 317.345 1.579 20 5 DDBDMO O=C1CC2(CN1)CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000851794894 703857842 /nfs/dbraw/zinc/85/78/42/703857842.db2.gz LTWQSTRKWSVYIG-UHFFFAOYSA-N 1 1 307.325 1.836 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000818631008 703948618 /nfs/dbraw/zinc/94/86/18/703948618.db2.gz ZNFYHBPWKPMVAT-AOOOYVTPSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000818631008 703948622 /nfs/dbraw/zinc/94/86/22/703948622.db2.gz ZNFYHBPWKPMVAT-AOOOYVTPSA-N 1 1 322.321 1.668 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000818977736 704040965 /nfs/dbraw/zinc/04/09/65/704040965.db2.gz LEVLANLFTNQCHZ-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000818977736 704040966 /nfs/dbraw/zinc/04/09/66/704040966.db2.gz LEVLANLFTNQCHZ-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000819155070 704077604 /nfs/dbraw/zinc/07/76/04/704077604.db2.gz OKXGSMGTSRQLQO-IUODEOHRSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000819323309 704107238 /nfs/dbraw/zinc/10/72/38/704107238.db2.gz ZIBAMQBWSVVNRL-ABAIWWIYSA-N 1 1 302.334 1.498 20 5 DDBDMO Cc1noc(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000853908122 704333584 /nfs/dbraw/zinc/33/35/84/704333584.db2.gz VQGXAPRBAIWVQL-SECBINFHSA-N 1 1 315.351 1.372 20 5 DDBDMO Cc1noc(COC(=O)C[N@H+](C)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000853908122 704333586 /nfs/dbraw/zinc/33/35/86/704333586.db2.gz VQGXAPRBAIWVQL-SECBINFHSA-N 1 1 315.351 1.372 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000855285677 704477460 /nfs/dbraw/zinc/47/74/60/704477460.db2.gz ICYWRCVLKSVKJF-SECBINFHSA-N 1 1 324.356 1.919 20 5 DDBDMO Cc1ccc(O[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nc1 ZINC000858036706 704660607 /nfs/dbraw/zinc/66/06/07/704660607.db2.gz QWVURIQTNVLWPE-AWEZNQCLSA-N 1 1 317.349 1.648 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859888694 705031038 /nfs/dbraw/zinc/03/10/38/705031038.db2.gz JJPXQCLLLDAOGW-SGRMJCNGSA-N 1 1 324.402 1.614 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859888697 705031155 /nfs/dbraw/zinc/03/11/55/705031155.db2.gz JJPXQCLLLDAOGW-DQMOJMCFSA-N 1 1 324.402 1.614 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874845027 705199243 /nfs/dbraw/zinc/19/92/43/705199243.db2.gz FFHMFTMKXKPHGU-KBPBESRZSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000823469100 705250269 /nfs/dbraw/zinc/25/02/69/705250269.db2.gz OQPLJUWJXPHQFP-GJZGRUSLSA-N 1 1 317.349 1.557 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379944 705658452 /nfs/dbraw/zinc/65/84/52/705658452.db2.gz UECFAZGVPIEYPG-XHDPSFHLSA-N 1 1 319.361 1.229 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000826970469 705902854 /nfs/dbraw/zinc/90/28/54/705902854.db2.gz MPINPKCLVFHPEF-IFUGULHKSA-N 1 1 319.361 1.370 20 5 DDBDMO Cc1nn(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000863338843 705906396 /nfs/dbraw/zinc/90/63/96/705906396.db2.gz UUTNZHJZFLQPMG-ZWNOBZJWSA-N 1 1 316.317 1.315 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000863338843 705906399 /nfs/dbraw/zinc/90/63/99/705906399.db2.gz UUTNZHJZFLQPMG-ZWNOBZJWSA-N 1 1 316.317 1.315 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035607 705916207 /nfs/dbraw/zinc/91/62/07/705916207.db2.gz RPHTYFSOPSWULA-ONERCXAPSA-N 1 1 319.361 1.227 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321180 705974887 /nfs/dbraw/zinc/97/48/87/705974887.db2.gz USKDPSJOXSECDK-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321180 705974891 /nfs/dbraw/zinc/97/48/91/705974891.db2.gz USKDPSJOXSECDK-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321180 705974893 /nfs/dbraw/zinc/97/48/93/705974893.db2.gz USKDPSJOXSECDK-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@@H+](CCO)CC1 ZINC000881923541 707427071 /nfs/dbraw/zinc/42/70/71/707427071.db2.gz BVSHHMJZNZDBDG-UHFFFAOYSA-N 1 1 307.350 1.302 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830787743 706579308 /nfs/dbraw/zinc/57/93/08/706579308.db2.gz ZVBZQLDTQHVXRI-UHFFFAOYSA-N 1 1 315.414 1.391 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830787743 706579311 /nfs/dbraw/zinc/57/93/11/706579311.db2.gz ZVBZQLDTQHVXRI-UHFFFAOYSA-N 1 1 315.414 1.391 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147790 706909344 /nfs/dbraw/zinc/90/93/44/706909344.db2.gz OJTOCWCQVJXYPU-QWRGUYRKSA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147788 706909436 /nfs/dbraw/zinc/90/94/36/706909436.db2.gz OJTOCWCQVJXYPU-GHMZBOCLSA-N 1 1 309.341 1.827 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000872827559 707617359 /nfs/dbraw/zinc/61/73/59/707617359.db2.gz HLJLICRCHXTBPG-DOMZBBRYSA-N 1 1 322.365 1.783 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000872827559 707617360 /nfs/dbraw/zinc/61/73/60/707617360.db2.gz HLJLICRCHXTBPG-DOMZBBRYSA-N 1 1 322.365 1.783 20 5 DDBDMO C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883376720 707987920 /nfs/dbraw/zinc/98/79/20/707987920.db2.gz RNUYAWIPJFMLQP-OPRDCNLKSA-N 1 1 316.354 1.960 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838912776 708002250 /nfs/dbraw/zinc/00/22/50/708002250.db2.gz ONUQNNZRVNAUGY-GASCZTMLSA-N 1 1 320.345 1.544 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000883896427 708078246 /nfs/dbraw/zinc/07/82/46/708078246.db2.gz PDJDVDXFZOORNF-CYBMUJFWSA-N 1 1 318.377 1.757 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000885931574 708665333 /nfs/dbraw/zinc/66/53/33/708665333.db2.gz VRBYSPJECBHZIO-CQSZACIVSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000886020471 708682658 /nfs/dbraw/zinc/68/26/58/708682658.db2.gz AHORHOSPSFISKR-AWEZNQCLSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000886020471 708682660 /nfs/dbraw/zinc/68/26/60/708682660.db2.gz AHORHOSPSFISKR-AWEZNQCLSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000886125635 708702290 /nfs/dbraw/zinc/70/22/90/708702290.db2.gz XMVJRCLUNOGXSD-UHFFFAOYSA-N 1 1 307.350 1.619 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000886125635 708702291 /nfs/dbraw/zinc/70/22/91/708702291.db2.gz XMVJRCLUNOGXSD-UHFFFAOYSA-N 1 1 307.350 1.619 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)n1 ZINC000886597933 708788283 /nfs/dbraw/zinc/78/82/83/708788283.db2.gz PTXCUHNLPMVFFJ-GFCCVEGCSA-N 1 1 323.397 1.614 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)n1 ZINC000886597933 708788285 /nfs/dbraw/zinc/78/82/85/708788285.db2.gz PTXCUHNLPMVFFJ-GFCCVEGCSA-N 1 1 323.397 1.614 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886823104 708854044 /nfs/dbraw/zinc/85/40/44/708854044.db2.gz ZAIWXAMQLVNYLE-GXTWGEPZSA-N 1 1 307.350 1.257 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096537 713128858 /nfs/dbraw/zinc/12/88/58/713128858.db2.gz MVOBRTKUXJWBPO-TZMCWYRMSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096537 713128859 /nfs/dbraw/zinc/12/88/59/713128859.db2.gz MVOBRTKUXJWBPO-TZMCWYRMSA-N 1 1 321.402 1.904 20 5 DDBDMO Cn1c2ccccc2c(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1=O ZINC000891439004 710201245 /nfs/dbraw/zinc/20/12/45/710201245.db2.gz YYIHCOFHNKQYSY-UHFFFAOYSA-N 1 1 316.361 1.589 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417922 710434104 /nfs/dbraw/zinc/43/41/04/710434104.db2.gz KGYDYGUNERFCSF-HUUCEWRRSA-N 1 1 318.377 1.973 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928453564 713204274 /nfs/dbraw/zinc/20/42/74/713204274.db2.gz OWSUDWXEZYAJAP-NEPJUHHUSA-N 1 1 306.366 1.606 20 5 DDBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+]1CCOCC1 ZINC000911837027 711023995 /nfs/dbraw/zinc/02/39/95/711023995.db2.gz BTWMRJDQWWSYAD-NEPJUHHUSA-N 1 1 323.349 1.417 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895570476 711545806 /nfs/dbraw/zinc/54/58/06/711545806.db2.gz UMDURPGDSTZAHN-VXGBXAGGSA-N 1 1 324.406 1.990 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895570476 711545808 /nfs/dbraw/zinc/54/58/08/711545808.db2.gz UMDURPGDSTZAHN-VXGBXAGGSA-N 1 1 324.406 1.990 20 5 DDBDMO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C ZINC000895737879 711591294 /nfs/dbraw/zinc/59/12/94/711591294.db2.gz GDCHUZWKTVPIMR-ONGXEEELSA-N 1 1 304.350 1.984 20 5 DDBDMO C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@H+]1C ZINC000895739555 711591881 /nfs/dbraw/zinc/59/18/81/711591881.db2.gz GWAMZUUMLUEGIS-RKDXNWHRSA-N 1 1 306.322 1.430 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896526573 711738966 /nfs/dbraw/zinc/73/89/66/711738966.db2.gz YXEGEJLLAPNSRL-LLVKDONJSA-N 1 1 310.329 1.794 20 5 DDBDMO CN(C)c1cc[nH+]c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905524619 712064481 /nfs/dbraw/zinc/06/44/81/712064481.db2.gz KFIUFXKJNNRSSA-MRXNPFEDSA-N 1 1 316.361 1.879 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908123563 712693387 /nfs/dbraw/zinc/69/33/87/712693387.db2.gz CUROJBWGSDJAMX-CZUORRHYSA-N 1 1 321.377 1.051 20 5 DDBDMO O=[N+]([O-])c1nccn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000918388076 713540929 /nfs/dbraw/zinc/54/09/29/713540929.db2.gz WTWRXOKXAQIXDX-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000920599391 713682119 /nfs/dbraw/zinc/68/21/19/713682119.db2.gz TUYFZWKSOOISLL-AAEUAGOBSA-N 1 1 306.366 1.529 20 5 DDBDMO Cc1cc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000930732764 713905961 /nfs/dbraw/zinc/90/59/61/713905961.db2.gz VEPRLZDDTHALIN-TXEJJXNPSA-N 1 1 304.350 1.929 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934255649 714776604 /nfs/dbraw/zinc/77/66/04/714776604.db2.gz UYKMPXXWQJCOLF-CVEARBPZSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934259195 714778414 /nfs/dbraw/zinc/77/84/14/714778414.db2.gz HHRNWSJIZRUSNC-IAGOWNOFSA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934259195 714778416 /nfs/dbraw/zinc/77/84/16/714778416.db2.gz HHRNWSJIZRUSNC-IAGOWNOFSA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934259195 714778418 /nfs/dbraw/zinc/77/84/18/714778418.db2.gz HHRNWSJIZRUSNC-IAGOWNOFSA-N 1 1 319.405 1.668 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000591186751 719426860 /nfs/dbraw/zinc/42/68/60/719426860.db2.gz XOBFLWRFKXMHKS-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167358617 733288445 /nfs/dbraw/zinc/28/84/45/733288445.db2.gz WTXOIKIKHYEXIL-UHFFFAOYSA-N 1 1 313.239 1.737 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022061530 734366924 /nfs/dbraw/zinc/36/69/24/734366924.db2.gz MJSXMQJWAVVYHF-GFQSEFKGSA-N 1 1 307.325 1.228 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001039583171 735103528 /nfs/dbraw/zinc/10/35/28/735103528.db2.gz FRPVYODUZSDOOJ-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001039583171 735103529 /nfs/dbraw/zinc/10/35/29/735103529.db2.gz FRPVYODUZSDOOJ-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001039583171 735103530 /nfs/dbraw/zinc/10/35/30/735103530.db2.gz FRPVYODUZSDOOJ-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778647 738255251 /nfs/dbraw/zinc/25/52/51/738255251.db2.gz JZEUDNPHWHDTPD-GFCCVEGCSA-N 1 1 319.365 1.002 20 5 DDBDMO O=C(NCC[NH2+]CCCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936819 742839046 /nfs/dbraw/zinc/83/90/46/742839046.db2.gz SNFLAFUVRHQKHK-HUUCEWRRSA-N 1 1 305.378 1.380 20 5 DDBDMO CNc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCCC2)COC1 ZINC001168443653 744923398 /nfs/dbraw/zinc/92/33/98/744923398.db2.gz NSUSVGKGBBVZKG-UHFFFAOYSA-N 1 1 307.354 1.308 20 5 DDBDMO C[C@@H](O)[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723994 746450134 /nfs/dbraw/zinc/45/01/34/746450134.db2.gz PKXDHVRPLYZCIT-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996442558 749576605 /nfs/dbraw/zinc/57/66/05/749576605.db2.gz XSKZWOTYJJZVFO-CHWSQXEVSA-N 1 1 309.391 1.494 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)C1 ZINC001169019739 762199859 /nfs/dbraw/zinc/19/98/59/762199859.db2.gz JEJZIQYLZAAPHA-YCPHGPKFSA-N 1 1 317.393 1.577 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139988 760614022 /nfs/dbraw/zinc/61/40/22/760614022.db2.gz RXJYMGCZGUEGKS-AAVRWANBSA-N 1 1 307.394 1.469 20 5 DDBDMO Cc1ccncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363099 761492479 /nfs/dbraw/zinc/49/24/79/761492479.db2.gz BNZXKZNVSYMNQE-NMFUWQPSSA-N 1 1 318.377 1.040 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363573 761499423 /nfs/dbraw/zinc/49/94/23/761499423.db2.gz BIVXXNVEPIQHQK-HBJVGIJOSA-N 1 1 323.418 1.440 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001136342456 771942472 /nfs/dbraw/zinc/94/24/72/771942472.db2.gz RAUSYUYVGUBVAY-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101757067 777479790 /nfs/dbraw/zinc/47/97/90/777479790.db2.gz YDOHQROQQUKOGN-UHFFFAOYSA-N 1 1 309.370 1.202 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001176556450 778180520 /nfs/dbraw/zinc/18/05/20/778180520.db2.gz YDQDVIGRLOOVNS-BJJXKVORSA-N 1 1 319.361 1.216 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001177513636 778629790 /nfs/dbraw/zinc/62/97/90/778629790.db2.gz GEHYSYZMAPZTPR-UHFFFAOYSA-N 1 1 303.322 1.366 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001177879695 778790281 /nfs/dbraw/zinc/79/02/81/778790281.db2.gz LRMQPRZYZVIHOM-WCQYABFASA-N 1 1 318.377 1.945 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2ccc(C)c[nH+]2)n1 ZINC001178609429 779112440 /nfs/dbraw/zinc/11/24/40/779112440.db2.gz KNUCUAHKZYCINQ-UHFFFAOYSA-N 1 1 318.337 1.357 20 5 DDBDMO Cc1c[nH]nc1C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267195184 837514943 /nfs/dbraw/zinc/51/49/43/837514943.db2.gz QIFZXVNTCWDINA-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO Cc1c[nH]nc1C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267195184 837514947 /nfs/dbraw/zinc/51/49/47/837514947.db2.gz QIFZXVNTCWDINA-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001267232729 837574724 /nfs/dbraw/zinc/57/47/24/837574724.db2.gz LKBSCJFDHXQLMX-UHFFFAOYSA-N 1 1 322.409 1.483 20 5 DDBDMO CCCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](C)C1 ZINC001143030063 861347038 /nfs/dbraw/zinc/34/70/38/861347038.db2.gz XXPAUMJIWTYUJH-QMMMGPOBSA-N 1 1 315.761 1.528 20 5 DDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157260241 863688658 /nfs/dbraw/zinc/68/86/58/863688658.db2.gz INIQPVVXJDNMCV-NXEZZACHSA-N 1 1 311.773 1.877 20 5 DDBDMO COc1nc(NCC2([NH+]3CCCC3)COC2)ccc1[N+](=O)[O-] ZINC001157649792 864011111 /nfs/dbraw/zinc/01/11/11/864011111.db2.gz CARHZWGEMXJEMZ-UHFFFAOYSA-N 1 1 308.338 1.275 20 5 DDBDMO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001157767504 864118152 /nfs/dbraw/zinc/11/81/52/864118152.db2.gz PDYYKCLHVQPLHF-TZMCWYRMSA-N 1 1 309.341 1.395 20 5 DDBDMO O=C(NCCC[NH2+]CC/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767503 864117705 /nfs/dbraw/zinc/11/77/05/864117705.db2.gz PCNYGMQTINUUFC-JKUHXPQUSA-N 1 1 317.389 1.851 20 5 DDBDMO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC001154042474 864352593 /nfs/dbraw/zinc/35/25/93/864352593.db2.gz ISWWEGZOYGYSBU-SECBINFHSA-N 1 1 306.322 1.076 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCC[C@@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001333216287 866528123 /nfs/dbraw/zinc/52/81/23/866528123.db2.gz UUNXPZIEIZNOLN-NHYWBVRUSA-N 1 1 309.341 1.977 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC001320575395 866846642 /nfs/dbraw/zinc/84/66/42/866846642.db2.gz BIQFAEQOFUBONU-CYBMUJFWSA-N 1 1 308.382 1.489 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001333710525 866954659 /nfs/dbraw/zinc/95/46/59/866954659.db2.gz LHTNYPBFYRVNIE-YPMHNXCESA-N 1 1 306.366 1.919 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@]2(C)CCC[N@H+](C)C2)n1 ZINC001162339565 867472013 /nfs/dbraw/zinc/47/20/13/867472013.db2.gz LYYOFRQKBGDFTQ-AWEZNQCLSA-N 1 1 322.369 1.548 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@](O)(C3CC3)C1)OCCO2 ZINC001321356383 867524131 /nfs/dbraw/zinc/52/41/31/867524131.db2.gz FGHNWRITLOPFIH-MRXNPFEDSA-N 1 1 320.345 1.713 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 ZINC001334613744 867710836 /nfs/dbraw/zinc/71/08/36/867710836.db2.gz JGWGQTPHQHFIPT-CWRNSKLLSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 ZINC001334613744 867710843 /nfs/dbraw/zinc/71/08/43/867710843.db2.gz JGWGQTPHQHFIPT-CWRNSKLLSA-N 1 1 304.346 1.757 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001335420940 868286350 /nfs/dbraw/zinc/28/63/50/868286350.db2.gz KFACAIAOJWPRQN-ZDUSSCGKSA-N 1 1 320.393 1.778 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1NCCn1cc[nH+]c1C ZINC001163923408 868794942 /nfs/dbraw/zinc/79/49/42/868794942.db2.gz IGEBAYPOXCKYQK-UHFFFAOYSA-N 1 1 304.306 1.998 20 5 DDBDMO O=C(CC[N@@H+]1C2CCC1(CO)CC2)Nc1ccc([N+](=O)[O-])cc1 ZINC001336287333 868842797 /nfs/dbraw/zinc/84/27/97/868842797.db2.gz MHOCLGFGASOSGQ-UHFFFAOYSA-N 1 1 319.361 1.913 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)C2 ZINC001226165629 882242266 /nfs/dbraw/zinc/24/22/66/882242266.db2.gz MLHFNFXEIRIIJO-PEGIJTEDSA-N 1 1 305.334 1.698 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC001300873793 870965274 /nfs/dbraw/zinc/96/52/74/870965274.db2.gz NCZBGSBASOPRTO-LBPRGKRZSA-N 1 1 306.366 1.760 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001340856772 871389535 /nfs/dbraw/zinc/38/95/35/871389535.db2.gz JXJSOYXBNJLVIS-ZDUSSCGKSA-N 1 1 320.393 1.875 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N1CCC(c2c[nH+]cn2C)CC1 ZINC001340864620 871398255 /nfs/dbraw/zinc/39/82/55/871398255.db2.gz GQGQOJDBAILCBA-UHFFFAOYSA-N 1 1 319.369 1.192 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001341343880 871615910 /nfs/dbraw/zinc/61/59/10/871615910.db2.gz JFYXXXOYBVLAAJ-AEGPPILISA-N 1 1 318.377 1.734 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318815850 872286326 /nfs/dbraw/zinc/28/63/26/872286326.db2.gz UEHBQLRXBUXWOK-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031230 874340293 /nfs/dbraw/zinc/34/02/93/874340293.db2.gz IQROKTLJSHSKOU-ONGXEEELSA-N 1 1 302.338 1.532 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001348747745 874758264 /nfs/dbraw/zinc/75/82/64/874758264.db2.gz PBKDVQJZQYUTPO-RWMBFGLXSA-N 1 1 318.377 1.463 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001348969842 874902543 /nfs/dbraw/zinc/90/25/43/874902543.db2.gz JICKUAJEBJEVGG-NHYWBVRUSA-N 1 1 318.377 1.803 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353102719 877121311 /nfs/dbraw/zinc/12/13/11/877121311.db2.gz PRVPKVIHLYNYLO-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)C[N+](C)(C)C)cc1O ZINC001228813390 883685234 /nfs/dbraw/zinc/68/52/34/883685234.db2.gz BZIOBONGOVGEPR-SECBINFHSA-O 1 1 313.330 1.561 20 5 DDBDMO C[C@@H]1CNC(=O)C[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479811 896455506 /nfs/dbraw/zinc/45/55/06/896455506.db2.gz MNZSLXJPVQNXIK-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO C[C@@H]1CNC(=O)C[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479811 896455511 /nfs/dbraw/zinc/45/55/11/896455511.db2.gz MNZSLXJPVQNXIK-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO CN1CCO[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254593922 896520354 /nfs/dbraw/zinc/52/03/54/896520354.db2.gz BULMUPHZKPLLIM-XHSDSOJGSA-N 1 1 303.362 1.077 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305768955 231046626 /nfs/dbraw/zinc/04/66/26/231046626.db2.gz VJXIKCWAOIZXTL-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378525 231081343 /nfs/dbraw/zinc/08/13/43/231081343.db2.gz YCSRAVJDXLUOAI-IVCRCZCHSA-N 1 1 318.377 1.296 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451432901 231093101 /nfs/dbraw/zinc/09/31/01/231093101.db2.gz OPRWQZOGZCNAHA-CYBMUJFWSA-N 1 1 302.277 1.676 20 5 DDBDMO COc1ccccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090512176 185299638 /nfs/dbraw/zinc/29/96/38/185299638.db2.gz MQSMDVRJERHWGH-UHFFFAOYSA-N 1 1 317.345 1.897 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550847 185302257 /nfs/dbraw/zinc/30/22/57/185302257.db2.gz ZULAFDQXPPPVQS-AWEZNQCLSA-N 1 1 322.409 1.563 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092763118 185338474 /nfs/dbraw/zinc/33/84/74/185338474.db2.gz URAFSQWVMZKADY-LBPRGKRZSA-N 1 1 316.361 1.810 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425047900 529821862 /nfs/dbraw/zinc/82/18/62/529821862.db2.gz AHUHGPNRBPEALX-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCOCC1 ZINC000444701071 530022790 /nfs/dbraw/zinc/02/27/90/530022790.db2.gz HAGBSYKPKBDTTB-UHFFFAOYSA-N 1 1 320.349 1.444 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299295495 530063496 /nfs/dbraw/zinc/06/34/96/530063496.db2.gz CREWJXFWCYRLIL-AWEZNQCLSA-N 1 1 316.361 1.760 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000265125741 282357294 /nfs/dbraw/zinc/35/72/94/282357294.db2.gz LCJIYALNOVIARC-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000265125741 282357298 /nfs/dbraw/zinc/35/72/98/282357298.db2.gz LCJIYALNOVIARC-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000287100140 219311865 /nfs/dbraw/zinc/31/18/65/219311865.db2.gz LIENOEOBFRFOQW-JQWIXIFHSA-N 1 1 321.381 1.579 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000191854519 186264767 /nfs/dbraw/zinc/26/47/67/186264767.db2.gz VMXLUOKTKZIKBP-RYUDHWBXSA-N 1 1 321.381 1.368 20 5 DDBDMO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCOCC1 ZINC000041887894 352317384 /nfs/dbraw/zinc/31/73/84/352317384.db2.gz SKNPQDKWEOWRIE-LBPRGKRZSA-N 1 1 324.381 1.400 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@H]3CO)n2)c1 ZINC000047496301 352498774 /nfs/dbraw/zinc/49/87/74/352498774.db2.gz CFZCWCOOOVJZPP-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3CO)n2)c1 ZINC000047496301 352498779 /nfs/dbraw/zinc/49/87/79/352498779.db2.gz CFZCWCOOOVJZPP-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491236702 234111739 /nfs/dbraw/zinc/11/17/39/234111739.db2.gz LFLATDWQKVCQAT-LLPBQKLSSA-N 1 1 301.346 1.961 20 5 DDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553761 352820533 /nfs/dbraw/zinc/82/05/33/352820533.db2.gz AUURCQFOPPDLOT-LBPRGKRZSA-N 1 1 318.377 1.750 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724508 353064985 /nfs/dbraw/zinc/06/49/85/353064985.db2.gz YXFVCFUBMZTSRV-UHFFFAOYSA-N 1 1 324.381 1.362 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000067285419 353042131 /nfs/dbraw/zinc/04/21/31/353042131.db2.gz HPTNFLUUIGXJFD-LBPRGKRZSA-N 1 1 321.337 1.194 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)CC ZINC000068960811 353138808 /nfs/dbraw/zinc/13/88/08/353138808.db2.gz ITXXTWMNPGGOMY-UHFFFAOYSA-N 1 1 315.395 1.387 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000076002451 353390029 /nfs/dbraw/zinc/39/00/29/353390029.db2.gz WMEJLPXMBQAWOM-NSHDSACASA-N 1 1 313.379 1.497 20 5 DDBDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174663749 198367350 /nfs/dbraw/zinc/36/73/50/198367350.db2.gz AWSBLIBGLYVMAC-DOMZBBRYSA-N 1 1 304.350 1.845 20 5 DDBDMO Cc1ncc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000174738281 198378313 /nfs/dbraw/zinc/37/83/13/198378313.db2.gz OKLAZSYZRVYCJF-LLVKDONJSA-N 1 1 311.367 1.049 20 5 DDBDMO CC(=O)N1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182180934 199399309 /nfs/dbraw/zinc/39/93/09/199399309.db2.gz IVTSANSPVYZGOV-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(=O)N1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182180934 199399310 /nfs/dbraw/zinc/39/93/10/199399310.db2.gz IVTSANSPVYZGOV-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1ccnc(N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000080606359 353617833 /nfs/dbraw/zinc/61/78/33/353617833.db2.gz SVXRODJYBMEVOC-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000088348546 353754174 /nfs/dbraw/zinc/75/41/74/353754174.db2.gz YTXDAZNQGNKKFT-UHFFFAOYSA-N 1 1 321.337 1.423 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000092642226 353865041 /nfs/dbraw/zinc/86/50/41/353865041.db2.gz LFLQMISBZFBRNX-ZDUSSCGKSA-N 1 1 320.393 1.903 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093332711 353895663 /nfs/dbraw/zinc/89/56/63/353895663.db2.gz JELPDOFQFIXSMW-ZLDLUXBVSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178542 283014302 /nfs/dbraw/zinc/01/43/02/283014302.db2.gz LLZLRWIMXJCWIV-SDDRHHMPSA-N 1 1 321.381 1.131 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000587862309 354886426 /nfs/dbraw/zinc/88/64/26/354886426.db2.gz ZYLVHXOSICBFEU-GXTWGEPZSA-N 1 1 309.341 1.769 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000588818984 354939601 /nfs/dbraw/zinc/93/96/01/354939601.db2.gz FEKNHXZHJKPVDL-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000588830348 354940295 /nfs/dbraw/zinc/94/02/95/354940295.db2.gz XXOSGUDASVGQJY-OAHLLOKOSA-N 1 1 318.377 1.023 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1sccc1[N+](=O)[O-] ZINC000588858285 354943425 /nfs/dbraw/zinc/94/34/25/354943425.db2.gz XKYLBTCLKBGEMH-UHFFFAOYSA-N 1 1 300.428 1.976 20 5 DDBDMO CN(CCCN(C)c1sccc1[N+](=O)[O-])CC[NH+](C)C ZINC000588858285 354943427 /nfs/dbraw/zinc/94/34/27/354943427.db2.gz XKYLBTCLKBGEMH-UHFFFAOYSA-N 1 1 300.428 1.976 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[N@@H+](C)CC2)c1 ZINC000589494319 354995828 /nfs/dbraw/zinc/99/58/28/354995828.db2.gz INTPRRSLCHUVOJ-UHFFFAOYSA-N 1 1 307.350 1.519 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H](C)O)C(C)C)c1 ZINC000589499610 354997042 /nfs/dbraw/zinc/99/70/42/354997042.db2.gz XOWVQSIBVRXKSP-LLVKDONJSA-N 1 1 310.350 1.973 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000590381708 355079060 /nfs/dbraw/zinc/07/90/60/355079060.db2.gz BPEMHNDWXHCBLU-CYBMUJFWSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000590381708 355079061 /nfs/dbraw/zinc/07/90/61/355079061.db2.gz BPEMHNDWXHCBLU-CYBMUJFWSA-N 1 1 308.334 1.728 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000590522886 355107762 /nfs/dbraw/zinc/10/77/62/355107762.db2.gz DIOAERDSMRAYFP-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000590522886 355107764 /nfs/dbraw/zinc/10/77/64/355107764.db2.gz DIOAERDSMRAYFP-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590442695 355096727 /nfs/dbraw/zinc/09/67/27/355096727.db2.gz ACHHCXYGGZBWPW-WCQYABFASA-N 1 1 305.334 1.380 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590445087 355098890 /nfs/dbraw/zinc/09/88/90/355098890.db2.gz MZZOLIKOZFCJBD-WCQYABFASA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000590446510 355099710 /nfs/dbraw/zinc/09/97/10/355099710.db2.gz WBWYIZYCOOEZEF-FZMZJTMJSA-N 1 1 323.780 1.953 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000590697140 355150158 /nfs/dbraw/zinc/15/01/58/355150158.db2.gz GHKFQGBSUVFVMR-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@H+]2CCOC[C@H]2C1 ZINC000590697140 355150164 /nfs/dbraw/zinc/15/01/64/355150164.db2.gz GHKFQGBSUVFVMR-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159466 304047734 /nfs/dbraw/zinc/04/77/34/304047734.db2.gz YVFNQMVCYPTKCR-INIZCTEOSA-N 1 1 307.394 1.872 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029221 355774383 /nfs/dbraw/zinc/77/43/83/355774383.db2.gz RPAJQNRKIOGVPE-LLVKDONJSA-N 1 1 310.350 1.974 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593130627 355807855 /nfs/dbraw/zinc/80/78/55/355807855.db2.gz BAXQGSZIVBHVTE-CYBMUJFWSA-N 1 1 320.349 1.186 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593130627 355807859 /nfs/dbraw/zinc/80/78/59/355807859.db2.gz BAXQGSZIVBHVTE-CYBMUJFWSA-N 1 1 320.349 1.186 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000593188341 355820946 /nfs/dbraw/zinc/82/09/46/355820946.db2.gz DHWAWRGMLVUYSP-GRYCIOLGSA-N 1 1 323.397 1.429 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000593455560 355890659 /nfs/dbraw/zinc/89/06/59/355890659.db2.gz WEWXEMXIJMKCMV-AWEZNQCLSA-N 1 1 321.352 1.877 20 5 DDBDMO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000594360318 356182909 /nfs/dbraw/zinc/18/29/09/356182909.db2.gz QUUMHVCVHMDJCX-VHSXEESVSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000594360318 356182914 /nfs/dbraw/zinc/18/29/14/356182914.db2.gz QUUMHVCVHMDJCX-VHSXEESVSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000594360318 356182917 /nfs/dbraw/zinc/18/29/17/356182917.db2.gz QUUMHVCVHMDJCX-VHSXEESVSA-N 1 1 307.354 1.189 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2C[NH+](CC3(O)CCSCC3)C2)cc1 ZINC000594714273 356294012 /nfs/dbraw/zinc/29/40/12/356294012.db2.gz LRXXEQPNIITDSZ-UHFFFAOYSA-N 1 1 324.402 1.916 20 5 DDBDMO COCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019555 356372963 /nfs/dbraw/zinc/37/29/63/356372963.db2.gz QXZWBVXBCNAQGA-OLZOCXBDSA-N 1 1 323.393 1.975 20 5 DDBDMO COCC[N@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019555 356372966 /nfs/dbraw/zinc/37/29/66/356372966.db2.gz QXZWBVXBCNAQGA-OLZOCXBDSA-N 1 1 323.393 1.975 20 5 DDBDMO COCCCOC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595326577 356449950 /nfs/dbraw/zinc/44/99/50/356449950.db2.gz MBRVZXVYTRXGBA-UHFFFAOYSA-N 1 1 313.354 1.909 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000595328535 356450696 /nfs/dbraw/zinc/45/06/96/356450696.db2.gz WMNDGZHOEHCGJF-CYBMUJFWSA-N 1 1 323.368 1.888 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000595328535 356450701 /nfs/dbraw/zinc/45/07/01/356450701.db2.gz WMNDGZHOEHCGJF-CYBMUJFWSA-N 1 1 323.368 1.888 20 5 DDBDMO Cc1noc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595292274 356435506 /nfs/dbraw/zinc/43/55/06/356435506.db2.gz XYAHCMLRLGTSTM-UHFFFAOYSA-N 1 1 322.365 1.726 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458659 356500368 /nfs/dbraw/zinc/50/03/68/356500368.db2.gz JMEZZMRMWRHBBV-CYBMUJFWSA-N 1 1 300.330 1.952 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458659 356500371 /nfs/dbraw/zinc/50/03/71/356500371.db2.gz JMEZZMRMWRHBBV-CYBMUJFWSA-N 1 1 300.330 1.952 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000595546730 356543165 /nfs/dbraw/zinc/54/31/65/356543165.db2.gz QNADSUNLATZVHI-GFCCVEGCSA-N 1 1 322.365 1.868 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000595546730 356543168 /nfs/dbraw/zinc/54/31/68/356543168.db2.gz QNADSUNLATZVHI-GFCCVEGCSA-N 1 1 322.365 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742450 356631265 /nfs/dbraw/zinc/63/12/65/356631265.db2.gz GOZQKZSFLSYNOP-ATCWAGBWSA-N 1 1 321.377 1.790 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742450 356631268 /nfs/dbraw/zinc/63/12/68/356631268.db2.gz GOZQKZSFLSYNOP-ATCWAGBWSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1COCCO1 ZINC000595744937 356632252 /nfs/dbraw/zinc/63/22/52/356632252.db2.gz WJBFRGARQPGQTO-BXUZGUMPSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595744937 356632255 /nfs/dbraw/zinc/63/22/55/356632255.db2.gz WJBFRGARQPGQTO-BXUZGUMPSA-N 1 1 323.349 1.269 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595744232 356632728 /nfs/dbraw/zinc/63/27/28/356632728.db2.gz UUBOYUKBTWJOIP-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595755459 356637413 /nfs/dbraw/zinc/63/74/13/356637413.db2.gz ARLLWCNSJQONHQ-BFQNTYOBSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@]12COC[C@H]1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760087 356641048 /nfs/dbraw/zinc/64/10/48/356641048.db2.gz SAAVOGBZDSXQDV-ABAIWWIYSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760087 356641049 /nfs/dbraw/zinc/64/10/49/356641049.db2.gz SAAVOGBZDSXQDV-ABAIWWIYSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816420 356661841 /nfs/dbraw/zinc/66/18/41/356661841.db2.gz WZMKQJBKGLOCLA-TZMCWYRMSA-N 1 1 324.381 1.186 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595868889 356684745 /nfs/dbraw/zinc/68/47/45/356684745.db2.gz BYLHVNQMQXXRLP-OZVIIMIRSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595868889 356684748 /nfs/dbraw/zinc/68/47/48/356684748.db2.gz BYLHVNQMQXXRLP-OZVIIMIRSA-N 1 1 321.377 1.872 20 5 DDBDMO CCC[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000596177473 356802744 /nfs/dbraw/zinc/80/27/44/356802744.db2.gz LWRWWDDXJOWOTF-GFCCVEGCSA-N 1 1 323.397 1.509 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596285541 356845492 /nfs/dbraw/zinc/84/54/92/356845492.db2.gz NQZUZOBAMUSGEO-SECBINFHSA-N 1 1 311.363 1.116 20 5 DDBDMO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596285541 356845495 /nfs/dbraw/zinc/84/54/95/356845495.db2.gz NQZUZOBAMUSGEO-SECBINFHSA-N 1 1 311.363 1.116 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCC23CC(C2)C[NH2+]3)n1 ZINC000596655748 356944203 /nfs/dbraw/zinc/94/42/03/356944203.db2.gz YMPOMNMHHOOICJ-DNCHLWJUSA-N 1 1 305.382 1.617 20 5 DDBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000596517249 356903477 /nfs/dbraw/zinc/90/34/77/356903477.db2.gz FYLUBQKUVKETCW-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000597716681 357300185 /nfs/dbraw/zinc/30/01/85/357300185.db2.gz RREHIXCMCPSYTH-HNNXBMFYSA-N 1 1 304.350 1.548 20 5 DDBDMO CCc1n[nH]c(C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043929 357440410 /nfs/dbraw/zinc/44/04/10/357440410.db2.gz XMIBSJMATBSRNC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043929 357440413 /nfs/dbraw/zinc/44/04/13/357440413.db2.gz XMIBSJMATBSRNC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000598043929 357440420 /nfs/dbraw/zinc/44/04/20/357440420.db2.gz XMIBSJMATBSRNC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598643500 357666357 /nfs/dbraw/zinc/66/63/57/357666357.db2.gz LMUYIPKAVOKOKM-VNHYZAJKSA-N 1 1 324.377 1.285 20 5 DDBDMO Cn1c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598562522 357633593 /nfs/dbraw/zinc/63/35/93/357633593.db2.gz VRYZBSYCVJXJEH-CYBMUJFWSA-N 1 1 320.393 1.785 20 5 DDBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CCC1 ZINC000599020586 357796764 /nfs/dbraw/zinc/79/67/64/357796764.db2.gz TXJJHQAACAKSSO-CQSZACIVSA-N 1 1 307.325 1.977 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1NCC[N@@H+]1CC[C@@H](O)C1)CCCC2 ZINC000599176743 357840095 /nfs/dbraw/zinc/84/00/95/357840095.db2.gz WBICNJDUHNCKKS-GFCCVEGCSA-N 1 1 306.366 1.347 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c2ncccc12 ZINC000599199413 357847734 /nfs/dbraw/zinc/84/77/34/357847734.db2.gz JYDFTLPBNNFGCO-NSHDSACASA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(C)COC1 ZINC000599571634 357979529 /nfs/dbraw/zinc/97/95/29/357979529.db2.gz OKMJQLAWSBIYKR-LLVKDONJSA-N 1 1 307.350 1.890 20 5 DDBDMO O=C(CN1CC[NH+](CCCF)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599667678 358016288 /nfs/dbraw/zinc/01/62/88/358016288.db2.gz IBMKEIWDMVBJII-UHFFFAOYSA-N 1 1 324.356 1.511 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599673175 358019513 /nfs/dbraw/zinc/01/95/13/358019513.db2.gz QOIMTLDORXYMSN-VDISTLRHSA-N 1 1 307.350 1.260 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600193359 358151692 /nfs/dbraw/zinc/15/16/92/358151692.db2.gz UZPZHZFJHPANIZ-OAHLLOKOSA-N 1 1 308.334 1.667 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600193359 358151694 /nfs/dbraw/zinc/15/16/94/358151694.db2.gz UZPZHZFJHPANIZ-OAHLLOKOSA-N 1 1 308.334 1.667 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600193358 358151967 /nfs/dbraw/zinc/15/19/67/358151967.db2.gz UZPZHZFJHPANIZ-HNNXBMFYSA-N 1 1 308.334 1.667 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600193358 358151972 /nfs/dbraw/zinc/15/19/72/358151972.db2.gz UZPZHZFJHPANIZ-HNNXBMFYSA-N 1 1 308.334 1.667 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600228488 358162361 /nfs/dbraw/zinc/16/23/61/358162361.db2.gz BTAJWUXRCXLZFL-GFCCVEGCSA-N 1 1 321.381 1.465 20 5 DDBDMO CN(c1cc[nH+]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C)C1=O ZINC000601120656 358410643 /nfs/dbraw/zinc/41/06/43/358410643.db2.gz JKOGNQHNZCJSNJ-AWEZNQCLSA-N 1 1 300.318 1.810 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973313 358760326 /nfs/dbraw/zinc/76/03/26/358760326.db2.gz JVXPQFJQNQMZCG-UTUOFQBUSA-N 1 1 305.334 1.500 20 5 DDBDMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602195917 358876776 /nfs/dbraw/zinc/87/67/76/358876776.db2.gz MSYJFYDMDLIOSR-HOCLYGCPSA-N 1 1 321.377 1.403 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602195917 358876778 /nfs/dbraw/zinc/87/67/78/358876778.db2.gz MSYJFYDMDLIOSR-HOCLYGCPSA-N 1 1 321.377 1.403 20 5 DDBDMO C[C@@H](CCN(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602535646 359032921 /nfs/dbraw/zinc/03/29/21/359032921.db2.gz WEGILRZNUNYBTH-ZDUSSCGKSA-N 1 1 321.425 1.888 20 5 DDBDMO CO[C@]1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472615 359002066 /nfs/dbraw/zinc/00/20/66/359002066.db2.gz JBTCOSOISMCYIR-WFASDCNBSA-N 1 1 322.365 1.282 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602662262 359109329 /nfs/dbraw/zinc/10/93/29/359109329.db2.gz NKACZYITYMIHOT-GFCCVEGCSA-N 1 1 309.370 1.067 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681231 359122423 /nfs/dbraw/zinc/12/24/23/359122423.db2.gz MWKSYFYJSHXJTO-APPZFPTMSA-N 1 1 308.260 1.073 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681231 359122425 /nfs/dbraw/zinc/12/24/25/359122425.db2.gz MWKSYFYJSHXJTO-APPZFPTMSA-N 1 1 308.260 1.073 20 5 DDBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602789276 359192952 /nfs/dbraw/zinc/19/29/52/359192952.db2.gz UAVWXWIIFLQZOG-CQSZACIVSA-N 1 1 318.381 1.979 20 5 DDBDMO Cn1cc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602883147 359266492 /nfs/dbraw/zinc/26/64/92/359266492.db2.gz IGXFKVVMFXOLDX-CQSZACIVSA-N 1 1 304.350 1.364 20 5 DDBDMO Cn1cc(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602883147 359266497 /nfs/dbraw/zinc/26/64/97/359266497.db2.gz IGXFKVVMFXOLDX-CQSZACIVSA-N 1 1 304.350 1.364 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000602960195 359322476 /nfs/dbraw/zinc/32/24/76/359322476.db2.gz KKSFRMKPBKXQSU-LLVKDONJSA-N 1 1 307.354 1.278 20 5 DDBDMO Cc1c(CN(C)CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000602989201 359341195 /nfs/dbraw/zinc/34/11/95/359341195.db2.gz HFWPDDZKMWHGHF-UHFFFAOYSA-N 1 1 320.393 1.109 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187362788 200101938 /nfs/dbraw/zinc/10/19/38/200101938.db2.gz PFUTXEKQZYIIOW-UHFFFAOYSA-N 1 1 317.349 1.892 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000281065384 216055924 /nfs/dbraw/zinc/05/59/24/216055924.db2.gz KKHRHEBXUSDUAU-BMFZPTHFSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000281065384 216055927 /nfs/dbraw/zinc/05/59/27/216055927.db2.gz KKHRHEBXUSDUAU-BMFZPTHFSA-N 1 1 322.361 1.588 20 5 DDBDMO CC1(C)CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000579375207 422759871 /nfs/dbraw/zinc/75/98/71/422759871.db2.gz ALWAVVQQTWQRKH-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000609269114 360286049 /nfs/dbraw/zinc/28/60/49/360286049.db2.gz LFKIQEROWAIKGK-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000609599861 360331562 /nfs/dbraw/zinc/33/15/62/360331562.db2.gz NALMANVVWDIVHF-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000610447706 360438757 /nfs/dbraw/zinc/43/87/57/360438757.db2.gz AYHDJQWYARHRNY-UHFFFAOYSA-N 1 1 302.334 1.598 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088143 360618881 /nfs/dbraw/zinc/61/88/81/360618881.db2.gz FKWWNQUYKBKUQE-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092116 360621482 /nfs/dbraw/zinc/62/14/82/360621482.db2.gz JAESPISAXNWFTR-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](CCO)CC1CC1)OCCO2 ZINC000611265547 360684034 /nfs/dbraw/zinc/68/40/34/360684034.db2.gz NOYMTJOKMJEQLM-UHFFFAOYSA-N 1 1 308.334 1.570 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000612451064 361021890 /nfs/dbraw/zinc/02/18/90/361021890.db2.gz AKWJHKDBRHBELA-LBPRGKRZSA-N 1 1 315.333 1.059 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000612451064 361021894 /nfs/dbraw/zinc/02/18/94/361021894.db2.gz AKWJHKDBRHBELA-LBPRGKRZSA-N 1 1 315.333 1.059 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC([C@@H]3CCOC3)C1)OCCO2 ZINC000619432130 364006752 /nfs/dbraw/zinc/00/67/52/364006752.db2.gz CWAGQAMVXFYJCW-LLVKDONJSA-N 1 1 320.345 1.834 20 5 DDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271813579 209237131 /nfs/dbraw/zinc/23/71/31/209237131.db2.gz MKEXWSMFUKTXEF-LLVKDONJSA-N 1 1 316.365 1.899 20 5 DDBDMO C[C@@H](c1ccncc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091990462 193138281 /nfs/dbraw/zinc/13/82/81/193138281.db2.gz HVYPQZMUUUXEHI-LBPRGKRZSA-N 1 1 302.334 1.845 20 5 DDBDMO COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1O ZINC000271792572 209219786 /nfs/dbraw/zinc/21/97/86/209219786.db2.gz HAZNHYPPMMAGPN-UHFFFAOYSA-N 1 1 307.350 1.661 20 5 DDBDMO COc1cc(CNCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1O ZINC000271792572 209219789 /nfs/dbraw/zinc/21/97/89/209219789.db2.gz HAZNHYPPMMAGPN-UHFFFAOYSA-N 1 1 307.350 1.661 20 5 DDBDMO COc1cc(CNCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1O ZINC000271792572 209219792 /nfs/dbraw/zinc/21/97/92/209219792.db2.gz HAZNHYPPMMAGPN-UHFFFAOYSA-N 1 1 307.350 1.661 20 5 DDBDMO COc1ccc(CNC(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000264771335 204144751 /nfs/dbraw/zinc/14/47/51/204144751.db2.gz AHEXFYQYLMJDAP-UHFFFAOYSA-N 1 1 322.365 1.497 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000282747788 217223500 /nfs/dbraw/zinc/22/35/00/217223500.db2.gz BTUQGLAJMYNEDE-VIFPVBQESA-N 1 1 310.329 1.388 20 5 DDBDMO CC[N@H+](Cc1ccccc1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266444641 205350932 /nfs/dbraw/zinc/35/09/32/205350932.db2.gz NLRRXMNCEAWPAB-INIZCTEOSA-N 1 1 318.377 1.983 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267604923 206168828 /nfs/dbraw/zinc/16/88/28/206168828.db2.gz MMAFDCNTIZQREY-SECBINFHSA-N 1 1 305.290 1.731 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267604923 206168831 /nfs/dbraw/zinc/16/88/31/206168831.db2.gz MMAFDCNTIZQREY-SECBINFHSA-N 1 1 305.290 1.731 20 5 DDBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000267867247 206311186 /nfs/dbraw/zinc/31/11/86/206311186.db2.gz ZFLIWQIZMPODAU-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567468515 304221152 /nfs/dbraw/zinc/22/11/52/304221152.db2.gz UFCIOCKCDTVVQL-OCCSQVGLSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567468515 304221154 /nfs/dbraw/zinc/22/11/54/304221154.db2.gz UFCIOCKCDTVVQL-OCCSQVGLSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340982364 251318128 /nfs/dbraw/zinc/31/81/28/251318128.db2.gz YTDXEHQHVMOBQV-ZYHUDNBSSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341009069 251333072 /nfs/dbraw/zinc/33/30/72/251333072.db2.gz AHJGRHFAVIKMMT-WCQYABFASA-N 1 1 306.366 1.877 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CSc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000567767241 304241190 /nfs/dbraw/zinc/24/11/90/304241190.db2.gz GIZLLVPFCSXBSU-SNVBAGLBSA-N 1 1 320.374 1.961 20 5 DDBDMO C[N@H+]1CCO[C@@H](CSc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000567767241 304241191 /nfs/dbraw/zinc/24/11/91/304241191.db2.gz GIZLLVPFCSXBSU-SNVBAGLBSA-N 1 1 320.374 1.961 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000425002775 533093767 /nfs/dbraw/zinc/09/37/67/533093767.db2.gz RDJUORYABRMRMK-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000156765842 197138967 /nfs/dbraw/zinc/13/89/67/197138967.db2.gz QLIJATHJUDVXAK-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO COCC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352784410 285298868 /nfs/dbraw/zinc/29/88/68/285298868.db2.gz OWGZQLUFXVRHLG-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000121897484 195370994 /nfs/dbraw/zinc/37/09/94/195370994.db2.gz FOBNYAOVNULNOU-UHFFFAOYSA-N 1 1 320.393 1.271 20 5 DDBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+](C)C1 ZINC000413503517 533490688 /nfs/dbraw/zinc/49/06/88/533490688.db2.gz SJFOYMIULPJFII-NSHDSACASA-N 1 1 323.349 1.144 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544567 397388448 /nfs/dbraw/zinc/38/84/48/397388448.db2.gz IBVWTUOMHBEQFY-UHFFFAOYSA-N 1 1 316.383 1.000 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000069172938 406686048 /nfs/dbraw/zinc/68/60/48/406686048.db2.gz IZNDMNOAFWXRSP-UHFFFAOYSA-N 1 1 306.771 1.773 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000074104770 406902889 /nfs/dbraw/zinc/90/28/89/406902889.db2.gz JIHCVMVFPQZHII-ZDUSSCGKSA-N 1 1 321.377 1.364 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000075953152 406946954 /nfs/dbraw/zinc/94/69/54/406946954.db2.gz QNUFABHOTHLJPT-CQSZACIVSA-N 1 1 324.377 1.959 20 5 DDBDMO CN(C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000109331814 407397345 /nfs/dbraw/zinc/39/73/45/407397345.db2.gz OXTDXIMCVAVQJF-CYBMUJFWSA-N 1 1 322.365 1.047 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178558630 407490007 /nfs/dbraw/zinc/49/00/07/407490007.db2.gz PIEJMUAPMZUYCT-CYBMUJFWSA-N 1 1 323.397 1.276 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000178763741 407589088 /nfs/dbraw/zinc/58/90/88/407589088.db2.gz MZHMXAORDXUXKO-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114063337 407536593 /nfs/dbraw/zinc/53/65/93/407536593.db2.gz XQOHHALUYCLOSM-NSHDSACASA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000114063337 407536597 /nfs/dbraw/zinc/53/65/97/407536597.db2.gz XQOHHALUYCLOSM-NSHDSACASA-N 1 1 323.349 1.583 20 5 DDBDMO CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266397149 407538152 /nfs/dbraw/zinc/53/81/52/407538152.db2.gz OXUDAIOITGXYOQ-CHWSQXEVSA-N 1 1 323.393 1.885 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000115437990 407679573 /nfs/dbraw/zinc/67/95/73/407679573.db2.gz PEUCKJHWAOFQQQ-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000179155838 407740741 /nfs/dbraw/zinc/74/07/41/407740741.db2.gz UZWDZCUCYLUSAX-GFCCVEGCSA-N 1 1 323.418 1.991 20 5 DDBDMO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000179155827 407741406 /nfs/dbraw/zinc/74/14/06/407741406.db2.gz UZWDZCUCYLUSAX-LBPRGKRZSA-N 1 1 323.418 1.991 20 5 DDBDMO Cc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262181173 407759441 /nfs/dbraw/zinc/75/94/41/407759441.db2.gz WRBRRBSBVDKNSR-OAHLLOKOSA-N 1 1 304.394 1.383 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272125009 407785375 /nfs/dbraw/zinc/78/53/75/407785375.db2.gz USCZAKFHNHWPDF-UHFFFAOYSA-N 1 1 318.377 1.698 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000117285745 407823324 /nfs/dbraw/zinc/82/33/24/407823324.db2.gz QGFGRKWUQVIWJU-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000117285745 407823331 /nfs/dbraw/zinc/82/33/31/407823331.db2.gz QGFGRKWUQVIWJU-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000118993930 407973660 /nfs/dbraw/zinc/97/36/60/407973660.db2.gz CRTZNJCPAXSAND-UHFFFAOYSA-N 1 1 324.381 1.015 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000175071377 408043825 /nfs/dbraw/zinc/04/38/25/408043825.db2.gz WKZZHPHMAGNVSW-UHFFFAOYSA-N 1 1 317.349 1.319 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245571841 408019054 /nfs/dbraw/zinc/01/90/54/408019054.db2.gz BWRJNKKFBHSNNV-JSGCOSHPSA-N 1 1 307.350 1.257 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2c(F)cccc2F)n1 ZINC000273094886 408055196 /nfs/dbraw/zinc/05/51/96/408055196.db2.gz KKAPTPPXJNALMD-LLVKDONJSA-N 1 1 312.276 1.393 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284686 408252722 /nfs/dbraw/zinc/25/27/22/408252722.db2.gz MXPBYTSBNKWDRY-UONOGXRCSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284686 408252726 /nfs/dbraw/zinc/25/27/26/408252726.db2.gz MXPBYTSBNKWDRY-UONOGXRCSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284686 408252733 /nfs/dbraw/zinc/25/27/33/408252733.db2.gz MXPBYTSBNKWDRY-UONOGXRCSA-N 1 1 305.334 1.657 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156455135 408260563 /nfs/dbraw/zinc/26/05/63/408260563.db2.gz HQVGIXBUAWPYII-CQSZACIVSA-N 1 1 321.377 1.774 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000269506952 408332724 /nfs/dbraw/zinc/33/27/24/408332724.db2.gz GHGOPHHIADWGQF-LBPRGKRZSA-N 1 1 323.397 1.724 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000269547743 408349822 /nfs/dbraw/zinc/34/98/22/408349822.db2.gz CWUYKHNKAMTHCB-CQSZACIVSA-N 1 1 308.382 1.399 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(C)CCN1C ZINC000269547743 408349826 /nfs/dbraw/zinc/34/98/26/408349826.db2.gz CWUYKHNKAMTHCB-CQSZACIVSA-N 1 1 308.382 1.399 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629453 408368883 /nfs/dbraw/zinc/36/88/83/408368883.db2.gz FAGUJVBMSMTZCX-BBRMVZONSA-N 1 1 307.394 1.902 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176868032 408461956 /nfs/dbraw/zinc/46/19/56/408461956.db2.gz PJIQFBCQLYHMJI-YPMHNXCESA-N 1 1 320.393 1.979 20 5 DDBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937116 408474064 /nfs/dbraw/zinc/47/40/64/408474064.db2.gz YQQDXZNBRGGCQF-UONOGXRCSA-N 1 1 309.366 1.382 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC2(C1)CCOCC2 ZINC000270588429 408592702 /nfs/dbraw/zinc/59/27/02/408592702.db2.gz SPJPWLBARKOJNB-UHFFFAOYSA-N 1 1 307.350 1.259 20 5 DDBDMO COCC[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192742816 408639628 /nfs/dbraw/zinc/63/96/28/408639628.db2.gz OCYDVYZIILYKET-QPJJXVBHSA-N 1 1 319.361 1.399 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000248886874 408653068 /nfs/dbraw/zinc/65/30/68/408653068.db2.gz AIDGIAZWFVAULW-DDFAGTSDSA-N 1 1 307.350 1.427 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184857678 408705196 /nfs/dbraw/zinc/70/51/96/408705196.db2.gz MHPIDPCBYKVJNI-NSHDSACASA-N 1 1 321.381 1.518 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c1[N+](=O)[O-] ZINC000193279850 408708049 /nfs/dbraw/zinc/70/80/49/408708049.db2.gz YEOGVLFOGPXMRQ-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270858190 408712324 /nfs/dbraw/zinc/71/23/24/408712324.db2.gz HTSLTFKLXPPEAY-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270858190 408712326 /nfs/dbraw/zinc/71/23/26/408712326.db2.gz HTSLTFKLXPPEAY-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000193358666 408714067 /nfs/dbraw/zinc/71/40/67/408714067.db2.gz SIAOQXNWBVCDNF-JTQLQIEISA-N 1 1 313.379 1.140 20 5 DDBDMO CCc1ccc([C@H](COC)[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000184805123 408693426 /nfs/dbraw/zinc/69/34/26/408693426.db2.gz XKXXLJHMAVQRBM-ZDUSSCGKSA-N 1 1 308.338 1.924 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421510 408699450 /nfs/dbraw/zinc/69/94/50/408699450.db2.gz HBCPHFKSCWTAIW-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421510 408699453 /nfs/dbraw/zinc/69/94/53/408699453.db2.gz HBCPHFKSCWTAIW-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270840115 408701440 /nfs/dbraw/zinc/70/14/40/408701440.db2.gz DXEKGTVXRFHTLQ-KYOSRNDESA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCN(C)C)CC2)n1 ZINC000178170285 408783414 /nfs/dbraw/zinc/78/34/14/408783414.db2.gz JKMZVEXMPBJXRT-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000251843403 408787363 /nfs/dbraw/zinc/78/73/63/408787363.db2.gz OITRLJNFMXHMCS-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000251843403 408787365 /nfs/dbraw/zinc/78/73/65/408787365.db2.gz OITRLJNFMXHMCS-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC1 ZINC000285660147 408836964 /nfs/dbraw/zinc/83/69/64/408836964.db2.gz YXYVISUOWUNLFP-UHFFFAOYSA-N 1 1 304.306 1.602 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC1 ZINC000285660147 408836965 /nfs/dbraw/zinc/83/69/65/408836965.db2.gz YXYVISUOWUNLFP-UHFFFAOYSA-N 1 1 304.306 1.602 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285704957 408847489 /nfs/dbraw/zinc/84/74/89/408847489.db2.gz IYVGSUYMFUFCBY-ZIAGYGMSSA-N 1 1 305.334 1.140 20 5 DDBDMO COc1cccc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000291108398 408859245 /nfs/dbraw/zinc/85/92/45/408859245.db2.gz LEFYFNIOOFYDRC-CHWSQXEVSA-N 1 1 321.377 1.903 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188772060 163068863 /nfs/dbraw/zinc/06/88/63/163068863.db2.gz AYZKREJCHTWYGN-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188772060 163068866 /nfs/dbraw/zinc/06/88/66/163068866.db2.gz AYZKREJCHTWYGN-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO C[N@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000287110121 409004320 /nfs/dbraw/zinc/00/43/20/409004320.db2.gz VXFIPRICUXRIBY-UHFFFAOYSA-N 1 1 303.322 1.386 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000286392093 408977001 /nfs/dbraw/zinc/97/70/01/408977001.db2.gz IXYXBNLIGTXOSM-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO COCC(C)(C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292113160 408983476 /nfs/dbraw/zinc/98/34/76/408983476.db2.gz JFNAXYYMWQSCIF-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO COCC(C)(C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292113160 408983478 /nfs/dbraw/zinc/98/34/78/408983478.db2.gz JFNAXYYMWQSCIF-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO CCOc1cc(C[N@@H+](CC)CCOCCO)ccc1[N+](=O)[O-] ZINC000282185875 409007347 /nfs/dbraw/zinc/00/73/47/409007347.db2.gz WDSBZFIPXGASIR-UHFFFAOYSA-N 1 1 312.366 1.824 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279125039 409152985 /nfs/dbraw/zinc/15/29/85/409152985.db2.gz VFTXBLPRROWMNH-MEBBXXQBSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279125039 409152991 /nfs/dbraw/zinc/15/29/91/409152991.db2.gz VFTXBLPRROWMNH-MEBBXXQBSA-N 1 1 318.333 1.330 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000280410254 409307846 /nfs/dbraw/zinc/30/78/46/409307846.db2.gz AUNVCCRQXZPVQZ-LBPRGKRZSA-N 1 1 307.350 1.350 20 5 DDBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289443215 409272605 /nfs/dbraw/zinc/27/26/05/409272605.db2.gz AYIYXAIUDPSNLS-UHFFFAOYSA-N 1 1 321.786 1.229 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000285018801 409394458 /nfs/dbraw/zinc/39/44/58/409394458.db2.gz MRVRPDUFEFIHCA-RYUDHWBXSA-N 1 1 310.329 1.225 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280684776 409408126 /nfs/dbraw/zinc/40/81/26/409408126.db2.gz HALQIVSWMVINKV-OAHLLOKOSA-N 1 1 320.349 1.121 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000285384092 409421100 /nfs/dbraw/zinc/42/11/00/409421100.db2.gz CZVJQRXTKXGIEX-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000317235061 164027248 /nfs/dbraw/zinc/02/72/48/164027248.db2.gz LOVKYIJEMQTMMS-NWDGAFQWSA-N 1 1 304.350 1.534 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000354079115 409636342 /nfs/dbraw/zinc/63/63/42/409636342.db2.gz CGFQSLWDYSOOCC-LLVKDONJSA-N 1 1 306.366 1.485 20 5 DDBDMO C[N@@H+](CC[C@H]1CCCO1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602194 409757040 /nfs/dbraw/zinc/75/70/40/409757040.db2.gz LWWGOVZWSFESCM-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354441807 409858520 /nfs/dbraw/zinc/85/85/20/409858520.db2.gz WXDPGXVXYTWESE-RYUDHWBXSA-N 1 1 309.370 1.123 20 5 DDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354450205 409863563 /nfs/dbraw/zinc/86/35/63/409863563.db2.gz JXTMVVOUERYFPW-ZDUSSCGKSA-N 1 1 312.391 1.504 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254945 409878032 /nfs/dbraw/zinc/87/80/32/409878032.db2.gz HSTLVKNXIPQTTC-SRVKXCTJSA-N 1 1 321.381 1.131 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc([C@H]3CC[N@@H+](C)C3)n2)c1 ZINC000350277002 409937034 /nfs/dbraw/zinc/93/70/34/409937034.db2.gz QSJVBQPPPVXNMJ-JTQLQIEISA-N 1 1 318.333 1.996 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342938705 410013262 /nfs/dbraw/zinc/01/32/62/410013262.db2.gz YLCKWYJLAPFHJZ-GHMZBOCLSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342938705 410013266 /nfs/dbraw/zinc/01/32/66/410013266.db2.gz YLCKWYJLAPFHJZ-GHMZBOCLSA-N 1 1 322.365 1.614 20 5 DDBDMO COc1c(C(=O)N2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000354696005 410022740 /nfs/dbraw/zinc/02/27/40/410022740.db2.gz ZTZIWIIOQPPVKH-UHFFFAOYSA-N 1 1 319.361 1.771 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000357457083 410051018 /nfs/dbraw/zinc/05/10/18/410051018.db2.gz VAALKWLSJYAIDC-KGLIPLIRSA-N 1 1 306.366 1.417 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354920200 410172994 /nfs/dbraw/zinc/17/29/94/410172994.db2.gz XIOAKYIJVPREQO-UHFFFAOYSA-N 1 1 321.381 1.726 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000343161009 410196268 /nfs/dbraw/zinc/19/62/68/410196268.db2.gz ARDURVMAHMORDV-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO COCCCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298504820 410262448 /nfs/dbraw/zinc/26/24/48/410262448.db2.gz UYGPRLXRAWMBBA-UHFFFAOYSA-N 1 1 309.366 1.572 20 5 DDBDMO COc1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000355087772 410304986 /nfs/dbraw/zinc/30/49/86/410304986.db2.gz NFBQLXOEODEACN-LBPRGKRZSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000355087772 410304994 /nfs/dbraw/zinc/30/49/94/410304994.db2.gz NFBQLXOEODEACN-LBPRGKRZSA-N 1 1 312.391 1.903 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cccc1[N+](=O)[O-] ZINC000355098126 410314533 /nfs/dbraw/zinc/31/45/33/410314533.db2.gz KZDRNIFZVIARTB-AWEZNQCLSA-N 1 1 318.377 1.939 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cccc1[N+](=O)[O-] ZINC000355098126 410314542 /nfs/dbraw/zinc/31/45/42/410314542.db2.gz KZDRNIFZVIARTB-AWEZNQCLSA-N 1 1 318.377 1.939 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301304598 410696327 /nfs/dbraw/zinc/69/63/27/410696327.db2.gz TWCAOSZMGJVBRK-CQSZACIVSA-N 1 1 305.382 1.206 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507761 410731500 /nfs/dbraw/zinc/73/15/00/410731500.db2.gz HMLKTWVJQWVXJL-QWHCGFSZSA-N 1 1 323.393 1.885 20 5 DDBDMO Cc1ccncc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000340108056 410680243 /nfs/dbraw/zinc/68/02/43/410680243.db2.gz HIFUFJFXEKNRPC-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355824087 410688291 /nfs/dbraw/zinc/68/82/91/410688291.db2.gz GSTXLWVEXGRNQB-LLVKDONJSA-N 1 1 323.349 1.054 20 5 DDBDMO Cc1nn(C)c(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000301717107 410779370 /nfs/dbraw/zinc/77/93/70/410779370.db2.gz NRYPJZPGKOBCDI-LBPRGKRZSA-N 1 1 318.381 1.829 20 5 DDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330618913 410833318 /nfs/dbraw/zinc/83/33/18/410833318.db2.gz YGZBYZNGGZPGGZ-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330618913 410833321 /nfs/dbraw/zinc/83/33/21/410833321.db2.gz YGZBYZNGGZPGGZ-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330663765 410858781 /nfs/dbraw/zinc/85/87/81/410858781.db2.gz UCLVTWYQWLQXTK-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330663765 410858787 /nfs/dbraw/zinc/85/87/87/410858787.db2.gz UCLVTWYQWLQXTK-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330678593 410872320 /nfs/dbraw/zinc/87/23/20/410872320.db2.gz WOKAKWFLHMQUIE-SNVBAGLBSA-N 1 1 323.349 1.388 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330678593 410872329 /nfs/dbraw/zinc/87/23/29/410872329.db2.gz WOKAKWFLHMQUIE-SNVBAGLBSA-N 1 1 323.349 1.388 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344068249 410934266 /nfs/dbraw/zinc/93/42/66/410934266.db2.gz QIRRRIFZUGCELZ-JLNYLFASSA-N 1 1 322.361 1.037 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517845 410994591 /nfs/dbraw/zinc/99/45/91/410994591.db2.gz YSFNXIDFZDVPPO-LLVKDONJSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517845 410994597 /nfs/dbraw/zinc/99/45/97/410994597.db2.gz YSFNXIDFZDVPPO-LLVKDONJSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517845 410994600 /nfs/dbraw/zinc/99/46/00/410994600.db2.gz YSFNXIDFZDVPPO-LLVKDONJSA-N 1 1 321.381 1.579 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCO)[C@H]1CCCSC1 ZINC000331206592 411018034 /nfs/dbraw/zinc/01/80/34/411018034.db2.gz UFRSQRNCLQDILH-JTQLQIEISA-N 1 1 300.384 1.018 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000331206592 411018039 /nfs/dbraw/zinc/01/80/39/411018039.db2.gz UFRSQRNCLQDILH-JTQLQIEISA-N 1 1 300.384 1.018 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403211 418645904 /nfs/dbraw/zinc/64/59/04/418645904.db2.gz NFYCZFSURSATDG-OCCSQVGLSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501772 418649963 /nfs/dbraw/zinc/64/99/63/418649963.db2.gz OBACNHVLBCEETH-AWEZNQCLSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@@H](CO)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501772 418649964 /nfs/dbraw/zinc/64/99/64/418649964.db2.gz OBACNHVLBCEETH-AWEZNQCLSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@@H](CO)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501772 418649966 /nfs/dbraw/zinc/64/99/66/418649966.db2.gz OBACNHVLBCEETH-AWEZNQCLSA-N 1 1 307.394 1.526 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[N@@H+]3CCOC[C@@H]3C2)s1 ZINC000367799441 418636471 /nfs/dbraw/zinc/63/64/71/418636471.db2.gz BFXKEVPRTWMVAM-VIFPVBQESA-N 1 1 321.362 1.120 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[N@H+]3CCOC[C@@H]3C2)s1 ZINC000367799441 418636473 /nfs/dbraw/zinc/63/64/73/418636473.db2.gz BFXKEVPRTWMVAM-VIFPVBQESA-N 1 1 321.362 1.120 20 5 DDBDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541721 418674249 /nfs/dbraw/zinc/67/42/49/418674249.db2.gz SBZNMBKUDJMXJB-GXTWGEPZSA-N 1 1 310.398 1.910 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361575435 418683583 /nfs/dbraw/zinc/68/35/83/418683583.db2.gz COHIBDCSPLAOBZ-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361575435 418683585 /nfs/dbraw/zinc/68/35/85/418683585.db2.gz COHIBDCSPLAOBZ-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583377 418686624 /nfs/dbraw/zinc/68/66/24/418686624.db2.gz LMAOJIYEEQJBBP-HZMBPMFUSA-N 1 1 320.349 1.443 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361583377 418686625 /nfs/dbraw/zinc/68/66/25/418686625.db2.gz LMAOJIYEEQJBBP-HZMBPMFUSA-N 1 1 320.349 1.443 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362055737 418745697 /nfs/dbraw/zinc/74/56/97/418745697.db2.gz NHJIIEZLYDTUFR-DRZSPHRISA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990175 418754969 /nfs/dbraw/zinc/75/49/69/418754969.db2.gz BZKUJDSQYWJIFQ-MIGQKNRLSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990175 418754972 /nfs/dbraw/zinc/75/49/72/418754972.db2.gz BZKUJDSQYWJIFQ-MIGQKNRLSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990175 418754974 /nfs/dbraw/zinc/75/49/74/418754974.db2.gz BZKUJDSQYWJIFQ-MIGQKNRLSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)C[N@H+]1C ZINC000408106244 418788804 /nfs/dbraw/zinc/78/88/04/418788804.db2.gz XBISAYXQOTZOKR-ZJUUUORDSA-N 1 1 317.349 1.772 20 5 DDBDMO COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411906157 419463929 /nfs/dbraw/zinc/46/39/29/419463929.db2.gz NMPRTDKMENSEHL-CYBMUJFWSA-N 1 1 307.350 1.131 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418118630 419545585 /nfs/dbraw/zinc/54/55/85/419545585.db2.gz TVCCGWBNOQIJHB-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1CCO ZINC000418118624 419548030 /nfs/dbraw/zinc/54/80/30/419548030.db2.gz TVCCGWBNOQIJHB-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061856 419608915 /nfs/dbraw/zinc/60/89/15/419608915.db2.gz AKLXPLBKYVCOIC-HZSPNIEDSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079904 419631436 /nfs/dbraw/zinc/63/14/36/419631436.db2.gz LKJRHFUZRYJXID-GWCFXTLKSA-N 1 1 307.350 1.287 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)n1 ZINC000427468312 419665112 /nfs/dbraw/zinc/66/51/12/419665112.db2.gz BGVXPIBDPLHFAU-NSHDSACASA-N 1 1 309.370 1.273 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412111123 419672689 /nfs/dbraw/zinc/67/26/89/419672689.db2.gz VQTMZJJUJBKXEK-UKRRQHHQSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412111123 419672695 /nfs/dbraw/zinc/67/26/95/419672695.db2.gz VQTMZJJUJBKXEK-UKRRQHHQSA-N 1 1 324.377 1.557 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000427708106 419717607 /nfs/dbraw/zinc/71/76/07/419717607.db2.gz WBYBKPDREIAPCB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000427708106 419717615 /nfs/dbraw/zinc/71/76/15/419717615.db2.gz WBYBKPDREIAPCB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO CN(C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124558 420248877 /nfs/dbraw/zinc/24/88/77/420248877.db2.gz DFUFHWRUKBKWQV-WFASDCNBSA-N 1 1 307.394 1.829 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416301900 420318866 /nfs/dbraw/zinc/31/88/66/420318866.db2.gz VWAAVNSGLKYPQA-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416301900 420318869 /nfs/dbraw/zinc/31/88/69/420318869.db2.gz VWAAVNSGLKYPQA-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000425482002 420395592 /nfs/dbraw/zinc/39/55/92/420395592.db2.gz QOPBZUXPMDCMDY-CQSZACIVSA-N 1 1 308.382 1.029 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000446082134 230231140 /nfs/dbraw/zinc/23/11/40/230231140.db2.gz OPSKCYWUFPYRPF-CXTNEJHOSA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000446082134 230231142 /nfs/dbraw/zinc/23/11/42/230231142.db2.gz OPSKCYWUFPYRPF-CXTNEJHOSA-N 1 1 324.377 1.832 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439107429 420480528 /nfs/dbraw/zinc/48/05/28/420480528.db2.gz LVLIBERHULWRML-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000450619109 420499512 /nfs/dbraw/zinc/49/95/12/420499512.db2.gz UJAOLWPIBIHIGE-GFCCVEGCSA-N 1 1 311.386 1.378 20 5 DDBDMO CC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)COC1 ZINC000440665886 420595540 /nfs/dbraw/zinc/59/55/40/420595540.db2.gz GGTMWUINQXXCQQ-UHFFFAOYSA-N 1 1 319.361 1.389 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454352938 420845060 /nfs/dbraw/zinc/84/50/60/420845060.db2.gz HVMWGTVISQUOGT-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454352938 420845064 /nfs/dbraw/zinc/84/50/64/420845064.db2.gz HVMWGTVISQUOGT-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000454747710 420919135 /nfs/dbraw/zinc/91/91/35/420919135.db2.gz CAXAUMQMJWENAA-JQWIXIFHSA-N 1 1 319.365 1.388 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459784535 420872903 /nfs/dbraw/zinc/87/29/03/420872903.db2.gz ACAXREOGHXPCAM-OBJOEFQTSA-N 1 1 310.375 1.524 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000493586417 420888774 /nfs/dbraw/zinc/88/87/74/420888774.db2.gz POBLPBXNZIBATG-QMAVJUDZSA-N 1 1 311.288 1.674 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449696755 421061570 /nfs/dbraw/zinc/06/15/70/421061570.db2.gz LDYWPVXYQBURSA-LEXSJLIMSA-N 1 1 306.362 1.939 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455480939 421021666 /nfs/dbraw/zinc/02/16/66/421021666.db2.gz QNMQDQJNUZWJNU-SNVBAGLBSA-N 1 1 307.354 1.246 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456211232 421122505 /nfs/dbraw/zinc/12/25/05/421122505.db2.gz NQEPQEWYMBAMSU-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456211232 421122508 /nfs/dbraw/zinc/12/25/08/421122508.db2.gz NQEPQEWYMBAMSU-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000456233669 421130218 /nfs/dbraw/zinc/13/02/18/421130218.db2.gz YRZMZWQSOUBAJR-TXEJJXNPSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000456233669 421130221 /nfs/dbraw/zinc/13/02/21/421130221.db2.gz YRZMZWQSOUBAJR-TXEJJXNPSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000456362494 421149539 /nfs/dbraw/zinc/14/95/39/421149539.db2.gz WPZUVFKJQZKYPL-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000545396209 421256254 /nfs/dbraw/zinc/25/62/54/421256254.db2.gz BSJYGZDLRXBXRY-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000524775294 421271820 /nfs/dbraw/zinc/27/18/20/421271820.db2.gz DJGNFEGJRVSCJP-SECBINFHSA-N 1 1 310.329 1.388 20 5 DDBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000563547529 421520621 /nfs/dbraw/zinc/52/06/21/421520621.db2.gz VNYFWYKXLQCKLU-MNOVXSKESA-N 1 1 321.381 1.586 20 5 DDBDMO C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000551040238 421526648 /nfs/dbraw/zinc/52/66/48/421526648.db2.gz CPVGZHLVSLGKFJ-UHFFFAOYSA-N 1 1 306.366 1.220 20 5 DDBDMO Cn1cc([C@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000518397982 421651241 /nfs/dbraw/zinc/65/12/41/421651241.db2.gz SLWUCSNKDYYQIM-KBPBESRZSA-N 1 1 302.334 1.639 20 5 DDBDMO COc1ccc(CC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000518454231 421653250 /nfs/dbraw/zinc/65/32/50/421653250.db2.gz ZSDIMKXQFQKWIE-GFCCVEGCSA-N 1 1 323.393 1.991 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565726637 421599503 /nfs/dbraw/zinc/59/95/03/421599503.db2.gz PXGFYAPSGWAFCG-JTQLQIEISA-N 1 1 309.370 1.422 20 5 DDBDMO Nc1ccc(NCC[N@H+]2CCc3sccc3C2)nc1[N+](=O)[O-] ZINC000596086799 422365515 /nfs/dbraw/zinc/36/55/15/422365515.db2.gz BMVWGJGDXZQPSA-UHFFFAOYSA-N 1 1 319.390 2.104 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000576767206 422378144 /nfs/dbraw/zinc/37/81/44/422378144.db2.gz IADUOLKKZAONQL-GFCCVEGCSA-N 1 1 324.381 1.910 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000591161786 422325272 /nfs/dbraw/zinc/32/52/72/422325272.db2.gz GCFHRIBNUJQJJZ-UHFFFAOYSA-N 1 1 305.382 2.475 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000578100575 422498797 /nfs/dbraw/zinc/49/87/97/422498797.db2.gz SPQQVRIWSJLROJ-QWHCGFSZSA-N 1 1 321.381 1.185 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341682531 271167089 /nfs/dbraw/zinc/16/70/89/271167089.db2.gz CRDNIDLTWVSBOY-KBPBESRZSA-N 1 1 321.377 1.505 20 5 DDBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344409671 272017878 /nfs/dbraw/zinc/01/78/78/272017878.db2.gz ABZIDKBACRDFQP-AWEZNQCLSA-N 1 1 305.382 1.206 20 5 DDBDMO C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344582144 272065048 /nfs/dbraw/zinc/06/50/48/272065048.db2.gz OGKWMFGHDVXSRP-LLVKDONJSA-N 1 1 318.333 1.929 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345933152 272369006 /nfs/dbraw/zinc/36/90/06/272369006.db2.gz AJOUXZLKUHILBL-VXGBXAGGSA-N 1 1 309.370 1.123 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000264788961 276165012 /nfs/dbraw/zinc/16/50/12/276165012.db2.gz RXLOFRPSABKZOX-UHFFFAOYSA-N 1 1 306.366 1.486 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181151825 276181298 /nfs/dbraw/zinc/18/12/98/276181298.db2.gz KJFQPMGMTFAQBS-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000112926984 276305574 /nfs/dbraw/zinc/30/55/74/276305574.db2.gz FBELEGJZMGOCDK-UHFFFAOYSA-N 1 1 320.393 1.877 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299289171 277064384 /nfs/dbraw/zinc/06/43/84/277064384.db2.gz PDDYQCIPQLDCLJ-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286281625 278017194 /nfs/dbraw/zinc/01/71/94/278017194.db2.gz IBWNSJVEFAXPOF-YPMHNXCESA-N 1 1 306.366 1.476 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000450790740 295254391 /nfs/dbraw/zinc/25/43/91/295254391.db2.gz HAUTWCKEKMGCEL-TXEJJXNPSA-N 1 1 309.366 1.495 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000324328584 298263046 /nfs/dbraw/zinc/26/30/46/298263046.db2.gz ZUPOSDWQEPGQOV-GFCCVEGCSA-N 1 1 320.349 1.006 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000324470663 298263089 /nfs/dbraw/zinc/26/30/89/298263089.db2.gz ZULXCEYWTXMRFQ-AWEZNQCLSA-N 1 1 319.365 1.554 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000362100561 300005707 /nfs/dbraw/zinc/00/57/07/300005707.db2.gz XSZMJBSKTGDBPE-CMPLNLGQSA-N 1 1 318.333 1.705 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000362659646 300111442 /nfs/dbraw/zinc/11/14/42/300111442.db2.gz WTTCJOJSTVKTHB-GFCCVEGCSA-N 1 1 308.382 1.641 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363379792 300260285 /nfs/dbraw/zinc/26/02/85/300260285.db2.gz XFZACLHDQBWRRX-UHFFFAOYSA-N 1 1 323.397 1.434 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651025 300292755 /nfs/dbraw/zinc/29/27/55/300292755.db2.gz JNNXLBTWHYODGB-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000368596851 301062135 /nfs/dbraw/zinc/06/21/35/301062135.db2.gz WFOKGLZMQIUMCF-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368966167 301112634 /nfs/dbraw/zinc/11/26/34/301112634.db2.gz NLCHNDLEPWJAMO-XJKSGUPXSA-N 1 1 323.393 1.017 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531506001 303247738 /nfs/dbraw/zinc/24/77/38/303247738.db2.gz BBDFBTLFIRGBNT-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397552 303284965 /nfs/dbraw/zinc/28/49/65/303284965.db2.gz ZNQSPVRDGCOHNW-GFCCVEGCSA-N 1 1 306.366 1.698 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593317 307032323 /nfs/dbraw/zinc/03/23/23/307032323.db2.gz XYTZNWXWUQWIMD-UONOGXRCSA-N 1 1 321.381 1.267 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365078309 307057910 /nfs/dbraw/zinc/05/79/10/307057910.db2.gz STZDXCWYRUIEIG-GWCFXTLKSA-N 1 1 320.349 1.307 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000366652340 307078656 /nfs/dbraw/zinc/07/86/56/307078656.db2.gz KMPDFEYWEMVKTL-TZMCWYRMSA-N 1 1 317.349 1.626 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000367456782 307094620 /nfs/dbraw/zinc/09/46/20/307094620.db2.gz CUTNCKHFIMSVJN-OAHLLOKOSA-N 1 1 305.334 1.449 20 5 DDBDMO CNC(=O)CN1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830505 307110994 /nfs/dbraw/zinc/11/09/94/307110994.db2.gz QWFYZDPRXKXGQD-CYBMUJFWSA-N 1 1 320.393 1.410 20 5 DDBDMO CNC(=O)CN1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830505 307110995 /nfs/dbraw/zinc/11/09/95/307110995.db2.gz QWFYZDPRXKXGQD-CYBMUJFWSA-N 1 1 320.393 1.410 20 5 DDBDMO CNC(=O)C[N@@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830505 307110996 /nfs/dbraw/zinc/11/09/96/307110996.db2.gz QWFYZDPRXKXGQD-CYBMUJFWSA-N 1 1 320.393 1.410 20 5 DDBDMO CNC(=O)C[N@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830505 307110997 /nfs/dbraw/zinc/11/09/97/307110997.db2.gz QWFYZDPRXKXGQD-CYBMUJFWSA-N 1 1 320.393 1.410 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000371109643 307142464 /nfs/dbraw/zinc/14/24/64/307142464.db2.gz WPNYXUAEQMYION-OAHLLOKOSA-N 1 1 321.377 1.652 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000378489999 307289493 /nfs/dbraw/zinc/28/94/93/307289493.db2.gz CEJKPQKVTXHWNH-FZMZJTMJSA-N 1 1 304.350 1.464 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488807093 484219876 /nfs/dbraw/zinc/21/98/76/484219876.db2.gz OFNZCSBCJPLCLI-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488807093 484219883 /nfs/dbraw/zinc/21/98/83/484219883.db2.gz OFNZCSBCJPLCLI-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000305770323 534055183 /nfs/dbraw/zinc/05/51/83/534055183.db2.gz XINRGLZAGHATTP-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000305770323 534055194 /nfs/dbraw/zinc/05/51/94/534055194.db2.gz XINRGLZAGHATTP-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000459581337 526526325 /nfs/dbraw/zinc/52/63/25/526526325.db2.gz KXWRZPFJMFAOIP-OAHLLOKOSA-N 1 1 324.381 1.845 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824860828 608197414 /nfs/dbraw/zinc/19/74/14/608197414.db2.gz YAPUCZCGSRQXSM-VHSXEESVSA-N 1 1 317.353 1.304 20 5 DDBDMO CCNS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000068980743 696378610 /nfs/dbraw/zinc/37/86/10/696378610.db2.gz QOZLRSXVGKFOCM-UHFFFAOYSA-N 1 1 321.786 1.277 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799191554 700127721 /nfs/dbraw/zinc/12/77/21/700127721.db2.gz NAELIFJNSVYBRE-GXTWGEPZSA-N 1 1 317.349 1.037 20 5 DDBDMO COCC(=O)N1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000985188835 697464946 /nfs/dbraw/zinc/46/49/46/697464946.db2.gz IXQUHIANRSKNHO-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO C[N@@H+](Cc1ccsc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432939 697510343 /nfs/dbraw/zinc/51/03/43/697510343.db2.gz HCAMSSOXPLRRKP-ZIAGYGMSSA-N 1 1 323.418 1.836 20 5 DDBDMO C[N@H+](Cc1ccsc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432939 697510344 /nfs/dbraw/zinc/51/03/44/697510344.db2.gz HCAMSSOXPLRRKP-ZIAGYGMSSA-N 1 1 323.418 1.836 20 5 DDBDMO C[N@@H+](Cc1ccsc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432939 697510345 /nfs/dbraw/zinc/51/03/45/697510345.db2.gz HCAMSSOXPLRRKP-ZIAGYGMSSA-N 1 1 323.418 1.836 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863244 697936287 /nfs/dbraw/zinc/93/62/87/697936287.db2.gz LWUZPEYNYVDTKR-NSHDSACASA-N 1 1 322.321 1.733 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581558 698120920 /nfs/dbraw/zinc/12/09/20/698120920.db2.gz JZJBJXXZAGHWJI-JSGCOSHPSA-N 1 1 308.334 1.513 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000750095184 700203583 /nfs/dbraw/zinc/20/35/83/700203583.db2.gz WHGSUHRSMZVIKW-ZIAGYGMSSA-N 1 1 312.391 1.428 20 5 DDBDMO CCOC(=O)CC[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859729 698476303 /nfs/dbraw/zinc/47/63/03/698476303.db2.gz YLJPDBSGIGHMHS-UHFFFAOYSA-N 1 1 310.354 1.722 20 5 DDBDMO CCOC(=O)CC[N@@H+](CC1CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859729 698476304 /nfs/dbraw/zinc/47/63/04/698476304.db2.gz YLJPDBSGIGHMHS-UHFFFAOYSA-N 1 1 310.354 1.722 20 5 DDBDMO CCCCC[N@@H+](CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780340959 698508251 /nfs/dbraw/zinc/50/82/51/698508251.db2.gz CGSDTSDVLIHWEM-AWEZNQCLSA-N 1 1 309.366 1.606 20 5 DDBDMO CCCCC[N@H+](CC(N)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780340959 698508255 /nfs/dbraw/zinc/50/82/55/698508255.db2.gz CGSDTSDVLIHWEM-AWEZNQCLSA-N 1 1 309.366 1.606 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000783922775 698892511 /nfs/dbraw/zinc/89/25/11/698892511.db2.gz WCZYZGALKKWMBX-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285983 699475781 /nfs/dbraw/zinc/47/57/81/699475781.db2.gz VUCIOSRFKZBLCH-SNVBAGLBSA-N 1 1 304.350 1.452 20 5 DDBDMO Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000791258846 699618093 /nfs/dbraw/zinc/61/80/93/699618093.db2.gz LQPJBDUBCAIAIB-AAEUAGOBSA-N 1 1 322.340 1.435 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865489 699719788 /nfs/dbraw/zinc/71/97/88/699719788.db2.gz CALJQEVQJMMQGM-GXSJLCMTSA-N 1 1 322.321 1.589 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000802140572 700372513 /nfs/dbraw/zinc/37/25/13/700372513.db2.gz KOQVTHRDOPPZEZ-GFCCVEGCSA-N 1 1 311.338 1.199 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)C3CC3)o2)cc1 ZINC000763065893 700923511 /nfs/dbraw/zinc/92/35/11/700923511.db2.gz HJZULXFKCIFUNJ-LBPRGKRZSA-N 1 1 304.306 1.505 20 5 DDBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000763888909 700952070 /nfs/dbraw/zinc/95/20/70/700952070.db2.gz SXROIFLSPMYZPG-ZDUSSCGKSA-N 1 1 300.742 1.831 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](CC(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000808229338 701509609 /nfs/dbraw/zinc/50/96/09/701509609.db2.gz QGKRQZFIDXWJKF-LLVKDONJSA-N 1 1 317.349 1.408 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000868269140 702032675 /nfs/dbraw/zinc/03/26/75/702032675.db2.gz CPAIYSSDHUWKSK-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@@H]21 ZINC000866208678 706649216 /nfs/dbraw/zinc/64/92/16/706649216.db2.gz KJNKXKOGPUMAFU-MFKMUULPSA-N 1 1 304.350 1.224 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209626 706649775 /nfs/dbraw/zinc/64/97/75/706649775.db2.gz UOGOAHRHDBXVSX-CMPLNLGQSA-N 1 1 320.349 1.307 20 5 DDBDMO Nc1ccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000843169714 702832162 /nfs/dbraw/zinc/83/21/62/702832162.db2.gz LSKVYMUSDYRVKB-JTQLQIEISA-N 1 1 319.321 1.496 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843421202 702877320 /nfs/dbraw/zinc/87/73/20/702877320.db2.gz DGYRGVRMVTWFQK-CYBMUJFWSA-N 1 1 311.769 1.499 20 5 DDBDMO CCCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000843987033 702949298 /nfs/dbraw/zinc/94/92/98/702949298.db2.gz DLDPBLSKNZATNL-CABCVRRESA-N 1 1 321.377 1.571 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844435301 703031340 /nfs/dbraw/zinc/03/13/40/703031340.db2.gz BWQDBZZCPDJUCQ-NEPJUHHUSA-N 1 1 316.308 1.273 20 5 DDBDMO Cc1nn(CCC(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000845816120 703205895 /nfs/dbraw/zinc/20/58/95/703205895.db2.gz PYHDKAQZPLRYLM-YPMHNXCESA-N 1 1 324.381 1.682 20 5 DDBDMO CC(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000846949063 703355995 /nfs/dbraw/zinc/35/59/95/703355995.db2.gz GRNGDGQMHWMFBM-UHFFFAOYSA-N 1 1 305.334 1.495 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000869780623 703850943 /nfs/dbraw/zinc/85/09/43/703850943.db2.gz MRNZYKYZJCXRJB-ZDUSSCGKSA-N 1 1 321.377 1.099 20 5 DDBDMO O=C1CC[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844326 703868721 /nfs/dbraw/zinc/86/87/21/703868721.db2.gz VVWGGNHIXBTEKE-CMPLNLGQSA-N 1 1 306.322 1.182 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000819323310 704107418 /nfs/dbraw/zinc/10/74/18/704107418.db2.gz ZIBAMQBWSVVNRL-IAQYHMDHSA-N 1 1 302.334 1.498 20 5 DDBDMO CO[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870880778 704155447 /nfs/dbraw/zinc/15/54/47/704155447.db2.gz ONDRRDOGHYQEBH-DZGCQCFKSA-N 1 1 307.350 1.406 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858580451 704729894 /nfs/dbraw/zinc/72/98/94/704729894.db2.gz OWTGEUWCVHQBCD-UWVGGRQHSA-N 1 1 311.338 1.662 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822237612 704895961 /nfs/dbraw/zinc/89/59/61/704895961.db2.gz BLSXKQJMFCOXKK-CYBMUJFWSA-N 1 1 315.414 1.295 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099414 705599423 /nfs/dbraw/zinc/59/94/23/705599423.db2.gz ZCLTXVLJADWJHE-SWLSCSKDSA-N 1 1 321.377 1.619 20 5 DDBDMO Cc1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000876169152 705647069 /nfs/dbraw/zinc/64/70/69/705647069.db2.gz NRPBAMPJIPAUKO-UHFFFAOYSA-N 1 1 318.377 1.964 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCNC(=O)N(C)C ZINC000877140086 705994364 /nfs/dbraw/zinc/99/43/64/705994364.db2.gz MJCHPPLFAOVXRV-UHFFFAOYSA-N 1 1 308.382 1.915 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000877140100 705994470 /nfs/dbraw/zinc/99/44/70/705994470.db2.gz MXULUIOGRGXHFX-OAHLLOKOSA-N 1 1 320.324 1.561 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000877140100 705994472 /nfs/dbraw/zinc/99/44/72/705994472.db2.gz MXULUIOGRGXHFX-OAHLLOKOSA-N 1 1 320.324 1.561 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000877330672 706066604 /nfs/dbraw/zinc/06/66/04/706066604.db2.gz GDTRKUSFXUCAFD-AWEZNQCLSA-N 1 1 305.378 1.728 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000877330672 706066606 /nfs/dbraw/zinc/06/66/06/706066606.db2.gz GDTRKUSFXUCAFD-AWEZNQCLSA-N 1 1 305.378 1.728 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828249342 706146376 /nfs/dbraw/zinc/14/63/76/706146376.db2.gz ZZZUWWDCXBVOAY-GYSYKLTISA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828249342 706146378 /nfs/dbraw/zinc/14/63/78/706146378.db2.gz ZZZUWWDCXBVOAY-GYSYKLTISA-N 1 1 307.350 1.179 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC=C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880490158 706993045 /nfs/dbraw/zinc/99/30/45/706993045.db2.gz MLQWBORTPHWEPB-GFCCVEGCSA-N 1 1 305.334 1.465 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])[C@H]12 ZINC000880528602 707005451 /nfs/dbraw/zinc/00/54/51/707005451.db2.gz FMNQXOKFKALGIU-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])[C@H]12 ZINC000880528602 707005454 /nfs/dbraw/zinc/00/54/54/707005454.db2.gz FMNQXOKFKALGIU-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880529337 707005939 /nfs/dbraw/zinc/00/59/39/707005939.db2.gz KXXXSLPMKUJTRF-DZGCQCFKSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@H](NCC1(O)CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872037368 707284337 /nfs/dbraw/zinc/28/43/37/707284337.db2.gz DXKZMSOADNBBLI-NSHDSACASA-N 1 1 311.357 1.841 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000872127709 707298030 /nfs/dbraw/zinc/29/80/30/707298030.db2.gz WGOHSFDZLSHTNB-CQDKDKBSSA-N 1 1 316.361 1.778 20 5 DDBDMO CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2cccnc21 ZINC000872318671 707380392 /nfs/dbraw/zinc/38/03/92/707380392.db2.gz NECAHDHYNFJCKU-UHFFFAOYSA-N 1 1 302.338 1.138 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778978 707596692 /nfs/dbraw/zinc/59/66/92/707596692.db2.gz BWLWHGHHTQWBSK-VXGBXAGGSA-N 1 1 304.350 1.367 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000882482575 707653308 /nfs/dbraw/zinc/65/33/08/707653308.db2.gz RZPZWZJWYIJTRY-GFCCVEGCSA-N 1 1 306.366 1.607 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000882961772 707875045 /nfs/dbraw/zinc/87/50/45/707875045.db2.gz XGWODFVGPYBEOF-NSHDSACASA-N 1 1 304.350 1.986 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897216829 708255934 /nfs/dbraw/zinc/25/59/34/708255934.db2.gz VTKMGRUDZGWOLA-OLZOCXBDSA-N 1 1 310.329 1.164 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897221123 708258512 /nfs/dbraw/zinc/25/85/12/708258512.db2.gz HMEGXJYBBURCKT-CHWSQXEVSA-N 1 1 306.366 1.212 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897222770 708260674 /nfs/dbraw/zinc/26/06/74/708260674.db2.gz XMKVGCYVANMTET-KGLIPLIRSA-N 1 1 305.378 1.939 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000897683209 708418568 /nfs/dbraw/zinc/41/85/68/708418568.db2.gz ATSMIWYWIBSXOU-NHYWBVRUSA-N 1 1 316.361 1.808 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972819 708673990 /nfs/dbraw/zinc/67/39/90/708673990.db2.gz LDRULJXSVLYEKJ-CYBMUJFWSA-N 1 1 306.366 1.728 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885972819 708673993 /nfs/dbraw/zinc/67/39/93/708673993.db2.gz LDRULJXSVLYEKJ-CYBMUJFWSA-N 1 1 306.366 1.728 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000887084998 708951076 /nfs/dbraw/zinc/95/10/76/708951076.db2.gz ZWEDOXAQOCLANL-UHFFFAOYSA-N 1 1 311.313 1.119 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000900403527 709579448 /nfs/dbraw/zinc/57/94/48/709579448.db2.gz RFHAVMKGCNMNPB-HNNXBMFYSA-N 1 1 307.350 1.058 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000928438766 713195796 /nfs/dbraw/zinc/19/57/96/713195796.db2.gz GVCNLTZQIVFTAR-CMPLNLGQSA-N 1 1 307.350 1.734 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928446192 713199861 /nfs/dbraw/zinc/19/98/61/713199861.db2.gz VCVPHJQOJPNRSR-RNCFNFMXSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452785 713203822 /nfs/dbraw/zinc/20/38/22/713203822.db2.gz JKDBAAREQHFQDM-ZWNOBZJWSA-N 1 1 309.391 1.896 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000928556738 713225249 /nfs/dbraw/zinc/22/52/49/713225249.db2.gz CAOHQTIJYVROGC-LLVKDONJSA-N 1 1 309.341 1.832 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000928556738 713225252 /nfs/dbraw/zinc/22/52/52/713225252.db2.gz CAOHQTIJYVROGC-LLVKDONJSA-N 1 1 309.341 1.832 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686701 711238377 /nfs/dbraw/zinc/23/83/77/711238377.db2.gz ARUBDDFGDXGKMP-RYUDHWBXSA-N 1 1 310.350 1.902 20 5 DDBDMO C[N@@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000894881681 711306867 /nfs/dbraw/zinc/30/68/67/711306867.db2.gz OTSUZLLBFPBHOR-LBPRGKRZSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000894881681 711306869 /nfs/dbraw/zinc/30/68/69/711306869.db2.gz OTSUZLLBFPBHOR-LBPRGKRZSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1CO ZINC000894884179 711307691 /nfs/dbraw/zinc/30/76/91/711307691.db2.gz DJHKHAVFDUQZID-JTQLQIEISA-N 1 1 317.292 1.309 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1CO ZINC000894884179 711307693 /nfs/dbraw/zinc/30/76/93/711307693.db2.gz DJHKHAVFDUQZID-JTQLQIEISA-N 1 1 317.292 1.309 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000895102130 711412892 /nfs/dbraw/zinc/41/28/92/711412892.db2.gz SDTRSFTXENMWOK-PHIMTYICSA-N 1 1 306.366 1.613 20 5 DDBDMO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@H+]1C ZINC000895739552 711591845 /nfs/dbraw/zinc/59/18/45/711591845.db2.gz GWAMZUUMLUEGIS-BDAKNGLRSA-N 1 1 306.322 1.430 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908350608 712749438 /nfs/dbraw/zinc/74/94/38/712749438.db2.gz ZUTSADOXPZLUGX-PELKAZGASA-N 1 1 324.768 1.607 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000929095230 713544806 /nfs/dbraw/zinc/54/48/06/713544806.db2.gz SLTSOTZPMVTBPP-PHIMTYICSA-N 1 1 320.349 1.629 20 5 DDBDMO COC(=O)/C=C(/C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989012 713729916 /nfs/dbraw/zinc/72/99/16/713729916.db2.gz POUJFPYDXUQZKY-SEVUFMINSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C=C(/C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989012 713729918 /nfs/dbraw/zinc/72/99/18/713729918.db2.gz POUJFPYDXUQZKY-SEVUFMINSA-N 1 1 320.349 1.595 20 5 DDBDMO CC[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000930202513 713777224 /nfs/dbraw/zinc/77/72/24/713777224.db2.gz WTNVJOJQWGVIEH-ZDUSSCGKSA-N 1 1 309.366 1.471 20 5 DDBDMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930471143 713843273 /nfs/dbraw/zinc/84/32/73/713843273.db2.gz VBELWUKJZFWQQP-ZIAGYGMSSA-N 1 1 313.398 1.986 20 5 DDBDMO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000930471143 713843276 /nfs/dbraw/zinc/84/32/76/713843276.db2.gz VBELWUKJZFWQQP-ZIAGYGMSSA-N 1 1 313.398 1.986 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931380440 714079358 /nfs/dbraw/zinc/07/93/58/714079358.db2.gz PLCMLEJVPJXDQH-LLVKDONJSA-N 1 1 323.176 1.942 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931380440 714079360 /nfs/dbraw/zinc/07/93/60/714079360.db2.gz PLCMLEJVPJXDQH-LLVKDONJSA-N 1 1 323.176 1.942 20 5 DDBDMO COC1(OC)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000931631374 714143155 /nfs/dbraw/zinc/14/31/55/714143155.db2.gz DPCXFXYSHJYKNR-AWEZNQCLSA-N 1 1 310.350 1.459 20 5 DDBDMO COC1(OC)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000931631374 714143157 /nfs/dbraw/zinc/14/31/57/714143157.db2.gz DPCXFXYSHJYKNR-AWEZNQCLSA-N 1 1 310.350 1.459 20 5 DDBDMO COC1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000931632932 714144191 /nfs/dbraw/zinc/14/41/91/714144191.db2.gz DEQAEMIBSLUKBM-ZDUSSCGKSA-N 1 1 314.313 1.290 20 5 DDBDMO COC1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000931632932 714144193 /nfs/dbraw/zinc/14/41/93/714144193.db2.gz DEQAEMIBSLUKBM-ZDUSSCGKSA-N 1 1 314.313 1.290 20 5 DDBDMO C[C@@H]1C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923379847 714334838 /nfs/dbraw/zinc/33/48/38/714334838.db2.gz ABGFVIVNJNLOMI-FIRUKDTASA-N 1 1 307.394 1.933 20 5 DDBDMO [NH3+]CC[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481780 714370099 /nfs/dbraw/zinc/37/00/99/714370099.db2.gz LOPMASGGSAWMTA-IUODEOHRSA-N 1 1 318.377 1.371 20 5 DDBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000923910123 714488231 /nfs/dbraw/zinc/48/82/31/714488231.db2.gz JLDIKBRDZCQZHY-WCQYABFASA-N 1 1 306.366 1.795 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000933438648 714589325 /nfs/dbraw/zinc/58/93/25/714589325.db2.gz BGSBDSMFPFMONP-JQWIXIFHSA-N 1 1 309.370 1.041 20 5 DDBDMO Cc1c(CN2CCN(C)CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000933995673 714718222 /nfs/dbraw/zinc/71/82/22/714718222.db2.gz GCBQFPAOBUVMLI-UHFFFAOYSA-N 1 1 306.410 1.582 20 5 DDBDMO CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)CC1 ZINC000933995750 714718241 /nfs/dbraw/zinc/71/82/41/714718241.db2.gz JVZAQAQPRZCCPG-UHFFFAOYSA-N 1 1 310.373 1.413 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114483 714745195 /nfs/dbraw/zinc/74/51/95/714745195.db2.gz JCDOJVLCJOUKJX-RRFJBIMHSA-N 1 1 319.361 1.809 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114483 714745197 /nfs/dbraw/zinc/74/51/97/714745197.db2.gz JCDOJVLCJOUKJX-RRFJBIMHSA-N 1 1 319.361 1.809 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693904 715118359 /nfs/dbraw/zinc/11/83/59/715118359.db2.gz DRRDRDRBMWDWKK-OCVGTWLNSA-N 1 1 315.373 1.718 20 5 DDBDMO COc1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c([N+](=O)[O-])c1 ZINC001164773430 721287541 /nfs/dbraw/zinc/28/75/41/721287541.db2.gz ORUXNORWJISRBF-UHFFFAOYSA-N 1 1 318.377 1.921 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063615 734368218 /nfs/dbraw/zinc/36/82/18/734368218.db2.gz GBZGEMRSJJVGIA-QVHKTLOISA-N 1 1 321.352 1.270 20 5 DDBDMO CO[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001168195511 741800581 /nfs/dbraw/zinc/80/05/81/741800581.db2.gz CRDKZTQRVAFJRP-GDBMZVCRSA-N 1 1 321.377 1.799 20 5 DDBDMO CO[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001168195511 741800584 /nfs/dbraw/zinc/80/05/84/741800584.db2.gz CRDKZTQRVAFJRP-GDBMZVCRSA-N 1 1 321.377 1.799 20 5 DDBDMO O=C(NCC[NH2+]CCCc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936236 742830650 /nfs/dbraw/zinc/83/06/50/742830650.db2.gz CCRLXNSSCSXZTK-ZIAGYGMSSA-N 1 1 309.341 1.129 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001184387310 744031358 /nfs/dbraw/zinc/03/13/58/744031358.db2.gz IVUBZHDSDNQJDB-YNEHKIRRSA-N 1 1 321.377 1.739 20 5 DDBDMO O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663297 747338436 /nfs/dbraw/zinc/33/84/36/747338436.db2.gz WDGZWYFVDJTBQO-HUUCEWRRSA-N 1 1 309.410 1.670 20 5 DDBDMO COCCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530510 751046335 /nfs/dbraw/zinc/04/63/35/751046335.db2.gz AZJFGDPXJAKAQR-CHWSQXEVSA-N 1 1 313.398 1.097 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039583647 762128768 /nfs/dbraw/zinc/12/87/68/762128768.db2.gz UDMRMHLXVALUHN-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039583647 762128778 /nfs/dbraw/zinc/12/87/78/762128778.db2.gz UDMRMHLXVALUHN-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039583647 762128788 /nfs/dbraw/zinc/12/87/88/762128788.db2.gz UDMRMHLXVALUHN-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168977382 762146878 /nfs/dbraw/zinc/14/68/78/762146878.db2.gz BDBHWWROLXYGIF-FPMFFAJLSA-N 1 1 314.382 1.380 20 5 DDBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006732 762175086 /nfs/dbraw/zinc/17/50/86/762175086.db2.gz JFUJKXQMEJKKLJ-VXGBXAGGSA-N 1 1 301.387 1.888 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019489 762199885 /nfs/dbraw/zinc/19/98/85/762199885.db2.gz ISKAINDYZWOEGU-IHRRRGAJSA-N 1 1 322.409 1.801 20 5 DDBDMO O=C([C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022488 762201200 /nfs/dbraw/zinc/20/12/00/762201200.db2.gz CEVKWGRZQQAQID-RBSFLKMASA-N 1 1 309.410 1.766 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055294 762209623 /nfs/dbraw/zinc/20/96/23/762209623.db2.gz PBRGGDSERKFASP-ZQDZILKHSA-N 1 1 315.389 1.176 20 5 DDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2CC[C@H]2C1 ZINC001158424203 768224086 /nfs/dbraw/zinc/22/40/86/768224086.db2.gz SIZNAFMFKMHEMZ-LURJTMIESA-N 1 1 304.137 1.586 20 5 DDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2CC[C@H]2C1 ZINC001158424203 768224092 /nfs/dbraw/zinc/22/40/92/768224092.db2.gz SIZNAFMFKMHEMZ-LURJTMIESA-N 1 1 304.137 1.586 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001170343009 766274838 /nfs/dbraw/zinc/27/48/38/766274838.db2.gz PASIDOYQJZQKKL-UHFFFAOYSA-N 1 1 313.317 1.844 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC001137492695 766349939 /nfs/dbraw/zinc/34/99/39/766349939.db2.gz XKJYELPGUCOFHQ-NKWVEPMBSA-N 1 1 313.745 1.326 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093642243 774919735 /nfs/dbraw/zinc/91/97/35/774919735.db2.gz RSTQTKZGJLGYQH-UHFFFAOYSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001173235335 777064953 /nfs/dbraw/zinc/06/49/53/777064953.db2.gz WEURANYEBVCLFG-WFASDCNBSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001173235335 777064956 /nfs/dbraw/zinc/06/49/56/777064956.db2.gz WEURANYEBVCLFG-WFASDCNBSA-N 1 1 303.362 1.832 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044219 778406462 /nfs/dbraw/zinc/40/64/62/778406462.db2.gz PYRMDUIGBRRLBD-DOMZBBRYSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816079 780904122 /nfs/dbraw/zinc/90/41/22/780904122.db2.gz QNDUSXVZRVVHMI-OCCSQVGLSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816079 780904126 /nfs/dbraw/zinc/90/41/26/780904126.db2.gz QNDUSXVZRVVHMI-OCCSQVGLSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](CCN(C)C)CC1 ZINC001326359615 861303892 /nfs/dbraw/zinc/30/38/92/861303892.db2.gz QERUEJLQAUKVQA-UHFFFAOYSA-N 1 1 307.398 1.158 20 5 DDBDMO CCCCCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001149800512 861915667 /nfs/dbraw/zinc/91/56/67/861915667.db2.gz VUUTXCCKLIXUIW-UHFFFAOYSA-N 1 1 311.386 1.505 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@@H]2CCC(=O)N2)ncc1[N+](=O)[O-] ZINC001156151711 862754882 /nfs/dbraw/zinc/75/48/82/862754882.db2.gz ROJYWZVDODRBLA-QRGHLMKCSA-N 1 1 305.338 1.213 20 5 DDBDMO Cc1[nH]c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)[nH+]1 ZINC001156215025 862829726 /nfs/dbraw/zinc/82/97/26/862829726.db2.gz ZPAXYERIOQGDQB-UHFFFAOYSA-N 1 1 318.289 1.593 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCC(=O)N2CCCC2)ncc1[N+](=O)[O-] ZINC001156346837 862954923 /nfs/dbraw/zinc/95/49/23/862954923.db2.gz PJKWDMJNBFNVMA-VMPITWQZSA-N 1 1 319.365 1.556 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001123474146 859251408 /nfs/dbraw/zinc/25/14/08/859251408.db2.gz YRWUPTCNQVKGHP-RISCZKNCSA-N 1 1 304.350 1.230 20 5 DDBDMO Cc1cc(NC(=O)[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001124043320 859546613 /nfs/dbraw/zinc/54/66/13/859546613.db2.gz FRZYIXQDFHMEEB-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090426 865675822 /nfs/dbraw/zinc/67/58/22/865675822.db2.gz FRDWGGPXWKBBCP-HUUCEWRRSA-N 1 1 309.410 1.836 20 5 DDBDMO CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090426 865675828 /nfs/dbraw/zinc/67/58/28/865675828.db2.gz FRDWGGPXWKBBCP-HUUCEWRRSA-N 1 1 309.410 1.836 20 5 DDBDMO CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090426 865675831 /nfs/dbraw/zinc/67/58/31/865675831.db2.gz FRDWGGPXWKBBCP-HUUCEWRRSA-N 1 1 309.410 1.836 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCO)CC2)c2ccccc21 ZINC001333340834 866650322 /nfs/dbraw/zinc/65/03/22/866650322.db2.gz CZQDVISQTLCYMP-UHFFFAOYSA-N 1 1 302.334 1.257 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N[C@@H]2CNC(=O)C2(C)C)ncc1[N+](=O)[O-] ZINC001163010975 867993789 /nfs/dbraw/zinc/99/37/89/867993789.db2.gz HQVWYABLCDMOJQ-BTDICHCPSA-N 1 1 319.365 1.459 20 5 DDBDMO CC[N@@H+]1CCCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001163774694 868695725 /nfs/dbraw/zinc/69/57/25/868695725.db2.gz QAZCHLIYQIEHFO-UHFFFAOYSA-N 1 1 300.746 1.414 20 5 DDBDMO CC[N@H+]1CCCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001163774694 868695730 /nfs/dbraw/zinc/69/57/30/868695730.db2.gz QAZCHLIYQIEHFO-UHFFFAOYSA-N 1 1 300.746 1.414 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)nc2ccccn21 ZINC001164288246 869088977 /nfs/dbraw/zinc/08/89/77/869088977.db2.gz NHPAFEBLYIUYBC-QWRGUYRKSA-N 1 1 305.313 1.475 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)nc2ccccn21 ZINC001164288246 869088987 /nfs/dbraw/zinc/08/89/87/869088987.db2.gz NHPAFEBLYIUYBC-QWRGUYRKSA-N 1 1 305.313 1.475 20 5 DDBDMO [NH3+][C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CCC1(F)F ZINC001164320134 869124042 /nfs/dbraw/zinc/12/40/42/869124042.db2.gz YPZVJKZXLBUIBN-LLVKDONJSA-N 1 1 309.276 1.711 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001336836580 869174402 /nfs/dbraw/zinc/17/44/02/869174402.db2.gz IOTRVKKINRNRJA-YPMHNXCESA-N 1 1 308.407 1.712 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC001297359022 870002241 /nfs/dbraw/zinc/00/22/41/870002241.db2.gz KPMWHRDDXGVVBJ-OCCSQVGLSA-N 1 1 322.340 1.435 20 5 DDBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001339553459 870552526 /nfs/dbraw/zinc/55/25/26/870552526.db2.gz OKRCWAWNDRWBSE-DGCLKSJQSA-N 1 1 320.397 1.045 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)n1 ZINC001339997511 870830699 /nfs/dbraw/zinc/83/06/99/870830699.db2.gz CPOXNOCVLVEBJF-GMTAPVOTSA-N 1 1 320.349 1.529 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC001305873756 871307163 /nfs/dbraw/zinc/30/71/63/871307163.db2.gz KQCIQNDXWBBDPU-DLOVCJGASA-N 1 1 304.350 1.247 20 5 DDBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC001308439813 871502009 /nfs/dbraw/zinc/50/20/09/871502009.db2.gz WTFIMUGYRHHFLO-OCAPTIKFSA-N 1 1 301.140 1.970 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505018 874165555 /nfs/dbraw/zinc/16/55/55/874165555.db2.gz UOOJJDVBKDPNPE-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227541852 883070338 /nfs/dbraw/zinc/07/03/38/883070338.db2.gz PPPLISHBSWPJGD-MRVPVSSYSA-N 1 1 300.336 1.916 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001354400839 877953333 /nfs/dbraw/zinc/95/33/33/877953333.db2.gz LZAATGFZRANWCD-RWMBFGLXSA-N 1 1 318.377 1.707 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001355313201 878496129 /nfs/dbraw/zinc/49/61/29/878496129.db2.gz QILVMVUTVYXPOD-CYBMUJFWSA-N 1 1 320.393 1.921 20 5 DDBDMO COc1ccc(CO[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001223513784 880988118 /nfs/dbraw/zinc/98/81/18/880988118.db2.gz HXVYBNHIOYXQLU-LBPRGKRZSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1ccc(COCC[N@@H+]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC001223647546 881044034 /nfs/dbraw/zinc/04/40/34/881044034.db2.gz CYUFTEZVJWTGQK-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1ccc(CO[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001223651404 881044592 /nfs/dbraw/zinc/04/45/92/881044592.db2.gz WXZNVYDRWRTFNU-LBPRGKRZSA-N 1 1 310.350 1.841 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)C2)cc1O ZINC001228812487 883685152 /nfs/dbraw/zinc/68/51/52/883685152.db2.gz WRPNASMTPGDRAU-SECBINFHSA-N 1 1 310.306 1.560 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC001228812487 883685156 /nfs/dbraw/zinc/68/51/56/883685156.db2.gz WRPNASMTPGDRAU-SECBINFHSA-N 1 1 310.306 1.560 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246554963 892693987 /nfs/dbraw/zinc/69/39/87/892693987.db2.gz AFPPLSKFIXMXIR-CJNGLKHVSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246554963 892693991 /nfs/dbraw/zinc/69/39/91/892693991.db2.gz AFPPLSKFIXMXIR-CJNGLKHVSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246554963 892693995 /nfs/dbraw/zinc/69/39/95/892693995.db2.gz AFPPLSKFIXMXIR-CJNGLKHVSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246857612 892947797 /nfs/dbraw/zinc/94/77/97/892947797.db2.gz BNASOOILKPTTIG-ILMGOGQSSA-N 1 1 305.378 1.431 20 5 DDBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC001252527200 895244088 /nfs/dbraw/zinc/24/40/88/895244088.db2.gz NJXHKAFZSFNWPL-GFCCVEGCSA-N 1 1 310.354 1.599 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC001254314849 896343617 /nfs/dbraw/zinc/34/36/17/896343617.db2.gz XMNGBKNQGAHVDJ-LLVKDONJSA-N 1 1 315.395 1.445 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCNS(C)(=O)=O ZINC001254314849 896343628 /nfs/dbraw/zinc/34/36/28/896343628.db2.gz XMNGBKNQGAHVDJ-LLVKDONJSA-N 1 1 315.395 1.445 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001254559552 896501405 /nfs/dbraw/zinc/50/14/05/896501405.db2.gz KXDIZPGAHXQMRD-DGCLKSJQSA-N 1 1 305.334 1.662 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001254559552 896501421 /nfs/dbraw/zinc/50/14/21/896501421.db2.gz KXDIZPGAHXQMRD-DGCLKSJQSA-N 1 1 305.334 1.662 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N(C)C2COC2)C1 ZINC001254559173 896501467 /nfs/dbraw/zinc/50/14/67/896501467.db2.gz JGVVTCJCINSFCH-GFCCVEGCSA-N 1 1 305.378 1.541 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(N3CCOCC3)C1)C2 ZINC001254598601 896524413 /nfs/dbraw/zinc/52/44/13/896524413.db2.gz IEEJYBZFSFTYDE-OAHLLOKOSA-N 1 1 303.362 1.078 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293327196 914416275 /nfs/dbraw/zinc/41/62/75/914416275.db2.gz DIWDQXOJEJMNCT-LLVKDONJSA-N 1 1 307.354 1.176 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001262705523 900320603 /nfs/dbraw/zinc/32/06/03/900320603.db2.gz LIMGDEHWRCWJDU-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001262705523 900320615 /nfs/dbraw/zinc/32/06/15/900320615.db2.gz LIMGDEHWRCWJDU-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248476848 282086680 /nfs/dbraw/zinc/08/66/80/282086680.db2.gz YJIAXYPPVILBFZ-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248476848 282086687 /nfs/dbraw/zinc/08/66/87/282086687.db2.gz YJIAXYPPVILBFZ-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000278459887 214168103 /nfs/dbraw/zinc/16/81/03/214168103.db2.gz YAKAAMROVHZFDH-UHFFFAOYSA-N 1 1 319.361 1.905 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CCO ZINC000249524703 282166440 /nfs/dbraw/zinc/16/64/40/282166440.db2.gz RRXQJFBHQZREMB-KBPBESRZSA-N 1 1 324.377 1.571 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CCO ZINC000249524706 282166445 /nfs/dbraw/zinc/16/64/45/282166445.db2.gz RRXQJFBHQZREMB-UONOGXRCSA-N 1 1 324.377 1.571 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000452343751 231353431 /nfs/dbraw/zinc/35/34/31/231353431.db2.gz BPJNGAHNVUZXLA-CQSZACIVSA-N 1 1 307.350 1.171 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450823685 529932715 /nfs/dbraw/zinc/93/27/15/529932715.db2.gz CVJDUTMZJDVWLJ-YOGCLGLASA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457136982 232000832 /nfs/dbraw/zinc/00/08/32/232000832.db2.gz VHCVMIUMXNTKDR-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457136982 232000834 /nfs/dbraw/zinc/00/08/34/232000834.db2.gz VHCVMIUMXNTKDR-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000458204265 530054634 /nfs/dbraw/zinc/05/46/34/530054634.db2.gz YUJPZSKCYIOVJJ-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299536853 530055725 /nfs/dbraw/zinc/05/57/25/530055725.db2.gz UMPSGJMTUYRJJO-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305640249 282398370 /nfs/dbraw/zinc/39/83/70/282398370.db2.gz JOFILSGTWBLCKC-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305640249 282398373 /nfs/dbraw/zinc/39/83/73/282398373.db2.gz JOFILSGTWBLCKC-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785215 215143370 /nfs/dbraw/zinc/14/33/70/215143370.db2.gz UWXOSIBUIBNCBP-XJKSGUPXSA-N 1 1 323.393 1.281 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149221623 186048571 /nfs/dbraw/zinc/04/85/71/186048571.db2.gz GWQXEOJATVVJEF-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287185896 219366709 /nfs/dbraw/zinc/36/67/09/219366709.db2.gz ZTZHNFFVWLFDRG-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000265984245 186348156 /nfs/dbraw/zinc/34/81/56/186348156.db2.gz ZVCIUCOKGDOOSH-UHFFFAOYSA-N 1 1 323.349 1.436 20 5 DDBDMO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000047330959 352490977 /nfs/dbraw/zinc/49/09/77/352490977.db2.gz FWVOLGHOLPYISF-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000047633010 352505650 /nfs/dbraw/zinc/50/56/50/352505650.db2.gz NBJFFDBPROBEAA-LBPRGKRZSA-N 1 1 323.349 1.515 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072860137 191242247 /nfs/dbraw/zinc/24/22/47/191242247.db2.gz WSLXWTJMPNKUCC-ZDUSSCGKSA-N 1 1 320.393 1.807 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000060380146 352869444 /nfs/dbraw/zinc/86/94/44/352869444.db2.gz MDJQUGRPNNZXJH-CYBMUJFWSA-N 1 1 307.398 1.675 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060380152 352870037 /nfs/dbraw/zinc/87/00/37/352870037.db2.gz MMESHNQJVOFVTO-CYBMUJFWSA-N 1 1 307.398 1.675 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063728188 352922098 /nfs/dbraw/zinc/92/20/98/352922098.db2.gz BOVGXUJBHNQFPN-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000067717798 353064146 /nfs/dbraw/zinc/06/41/46/353064146.db2.gz QAGYCYQQJVQWRE-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO CNC(=O)c1ccc(NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000068913122 353135975 /nfs/dbraw/zinc/13/59/75/353135975.db2.gz SLBSGDPENHYJTQ-SNVBAGLBSA-N 1 1 306.366 1.849 20 5 DDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000069129501 353147392 /nfs/dbraw/zinc/14/73/92/353147392.db2.gz BJPWJCGPAOEENQ-JTQLQIEISA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072714905 353211756 /nfs/dbraw/zinc/21/17/56/353211756.db2.gz RKUNUYNEDZFNLE-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072714905 353211759 /nfs/dbraw/zinc/21/17/59/353211759.db2.gz RKUNUYNEDZFNLE-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000072830761 353219848 /nfs/dbraw/zinc/21/98/48/353219848.db2.gz UACFNEQOGLDTFM-INIZCTEOSA-N 1 1 319.361 1.576 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000182091130 199385824 /nfs/dbraw/zinc/38/58/24/199385824.db2.gz NUHDTCQNKPTBHW-CYBMUJFWSA-N 1 1 321.377 1.664 20 5 DDBDMO C[N@@H+](CCNC(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000074200506 353299964 /nfs/dbraw/zinc/29/99/64/353299964.db2.gz ZFCPAHZZTKXJPG-UHFFFAOYSA-N 1 1 306.366 1.531 20 5 DDBDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656049 198366350 /nfs/dbraw/zinc/36/63/50/198366350.db2.gz GUFHNYOGXLDHRP-ZDUSSCGKSA-N 1 1 324.768 1.938 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000174869830 198394765 /nfs/dbraw/zinc/39/47/65/198394765.db2.gz QPKVSCBVFLIXSN-UHFFFAOYSA-N 1 1 321.303 1.361 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000174869830 198394767 /nfs/dbraw/zinc/39/47/67/198394767.db2.gz QPKVSCBVFLIXSN-UHFFFAOYSA-N 1 1 321.303 1.361 20 5 DDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000078661369 353526971 /nfs/dbraw/zinc/52/69/71/353526971.db2.gz HEKCIOXXIXOMCW-GFCCVEGCSA-N 1 1 302.352 1.714 20 5 DDBDMO CCCC[N@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000078665048 353527716 /nfs/dbraw/zinc/52/77/16/353527716.db2.gz VCYSGKAWSBKNSZ-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CCCC[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000078665048 353527717 /nfs/dbraw/zinc/52/77/17/353527717.db2.gz VCYSGKAWSBKNSZ-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000081626463 353685208 /nfs/dbraw/zinc/68/52/08/353685208.db2.gz VBTOGBUXQVWPTJ-SWLSCSKDSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000081626463 353685210 /nfs/dbraw/zinc/68/52/10/353685210.db2.gz VBTOGBUXQVWPTJ-SWLSCSKDSA-N 1 1 320.324 1.738 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000091513458 353828956 /nfs/dbraw/zinc/82/89/56/353828956.db2.gz IWQSRKSNJMYTIE-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000091513458 353828959 /nfs/dbraw/zinc/82/89/59/353828959.db2.gz IWQSRKSNJMYTIE-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO Cc1c(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154978872 354210027 /nfs/dbraw/zinc/21/00/27/354210027.db2.gz RGENMQFYFUQVRX-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1c(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154978872 354210032 /nfs/dbraw/zinc/21/00/32/354210032.db2.gz RGENMQFYFUQVRX-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000280781529 354424030 /nfs/dbraw/zinc/42/40/30/354424030.db2.gz QCVFILIVSWJLPA-MWLCHTKSSA-N 1 1 319.317 1.977 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000280781529 354424033 /nfs/dbraw/zinc/42/40/33/354424033.db2.gz QCVFILIVSWJLPA-MWLCHTKSSA-N 1 1 319.317 1.977 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000322570959 354537332 /nfs/dbraw/zinc/53/73/32/354537332.db2.gz FUMKGRKYHOUMSJ-OLZOCXBDSA-N 1 1 318.377 1.993 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587986645 354888980 /nfs/dbraw/zinc/88/89/80/354888980.db2.gz FLIKTCIWMYSKKA-ZDUSSCGKSA-N 1 1 322.409 1.980 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000588067845 354899572 /nfs/dbraw/zinc/89/95/72/354899572.db2.gz UXCGLLTYVDQNMP-SECBINFHSA-N 1 1 317.305 1.400 20 5 DDBDMO Cn1c2cc(NCC[N@@H+](C)C3CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587473004 354882985 /nfs/dbraw/zinc/88/29/85/354882985.db2.gz FEZNVYVEDONSGH-UHFFFAOYSA-N 1 1 319.365 1.291 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863061 354944328 /nfs/dbraw/zinc/94/43/28/354944328.db2.gz OOFINFKFHLTVEX-KGLIPLIRSA-N 1 1 319.361 1.184 20 5 DDBDMO COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590011037 355040330 /nfs/dbraw/zinc/04/03/30/355040330.db2.gz GHOUWWSSBDIVIL-HZMBPMFUSA-N 1 1 309.341 1.878 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443477 355097358 /nfs/dbraw/zinc/09/73/58/355097358.db2.gz KMXMLCYFLYROCA-NXEZZACHSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443477 355097361 /nfs/dbraw/zinc/09/73/61/355097361.db2.gz KMXMLCYFLYROCA-NXEZZACHSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443477 355097365 /nfs/dbraw/zinc/09/73/65/355097365.db2.gz KMXMLCYFLYROCA-NXEZZACHSA-N 1 1 307.354 1.217 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000590443434 355097714 /nfs/dbraw/zinc/09/77/14/355097714.db2.gz IRCCTHOBQYUGRL-FZMZJTMJSA-N 1 1 305.334 1.136 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590445086 355098555 /nfs/dbraw/zinc/09/85/55/355098555.db2.gz MZZOLIKOZFCJBD-DGCLKSJQSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000591534393 355324680 /nfs/dbraw/zinc/32/46/80/355324680.db2.gz AHTTUCVQQBOUDM-SWLSCSKDSA-N 1 1 303.362 1.988 20 5 DDBDMO Cn1c[nH+]c2cc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000591774188 355382474 /nfs/dbraw/zinc/38/24/74/355382474.db2.gz KBQPMELZBRTQFJ-GFCCVEGCSA-N 1 1 316.321 1.151 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893461 355414570 /nfs/dbraw/zinc/41/45/70/355414570.db2.gz YKEJWFKTCDVTSV-MNOVXSKESA-N 1 1 307.354 1.231 20 5 DDBDMO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592751256 355675115 /nfs/dbraw/zinc/67/51/15/355675115.db2.gz LACDHLOPJIJRKG-ZYHUDNBSSA-N 1 1 307.350 1.560 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264724734 283115143 /nfs/dbraw/zinc/11/51/43/283115143.db2.gz YIZGJJHDQTZMRV-SNVBAGLBSA-N 1 1 321.333 1.048 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029222 355774513 /nfs/dbraw/zinc/77/45/13/355774513.db2.gz RPAJQNRKIOGVPE-NSHDSACASA-N 1 1 310.350 1.974 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593697765 355970745 /nfs/dbraw/zinc/97/07/45/355970745.db2.gz FBROVNKPKXYXAB-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594067152 356104724 /nfs/dbraw/zinc/10/47/24/356104724.db2.gz YOLPJMNJNNHWAY-SNVBAGLBSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594067152 356104730 /nfs/dbraw/zinc/10/47/30/356104730.db2.gz YOLPJMNJNNHWAY-SNVBAGLBSA-N 1 1 323.349 1.387 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594419172 356204727 /nfs/dbraw/zinc/20/47/27/356204727.db2.gz OJMRLSQAHZWMIK-QWHCGFSZSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000594817380 356326505 /nfs/dbraw/zinc/32/65/05/356326505.db2.gz QLSSNXZGFXLQKX-VIFPVBQESA-N 1 1 319.358 1.352 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCF ZINC000595040801 356376025 /nfs/dbraw/zinc/37/60/25/356376025.db2.gz XWBNLDADXVHTAV-NXEZZACHSA-N 1 1 313.329 1.728 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608766 356574968 /nfs/dbraw/zinc/57/49/68/356574968.db2.gz VQSYUPMGLBXCAZ-NSHDSACASA-N 1 1 305.313 1.848 20 5 DDBDMO C[C@H]1C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595742404 356631296 /nfs/dbraw/zinc/63/12/96/356631296.db2.gz FYZPQKPVSCLEMH-QWRGUYRKSA-N 1 1 307.350 1.482 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595767179 356644336 /nfs/dbraw/zinc/64/43/36/356644336.db2.gz WGFUHBJRZXHLJN-ZWNOBZJWSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595767179 356644337 /nfs/dbraw/zinc/64/43/37/356644337.db2.gz WGFUHBJRZXHLJN-ZWNOBZJWSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC000595786618 356652231 /nfs/dbraw/zinc/65/22/31/356652231.db2.gz UURUDWUTAINUIM-UHFFFAOYSA-N 1 1 323.349 1.146 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828158 356666667 /nfs/dbraw/zinc/66/66/67/356666667.db2.gz UVRPHTWSXSOHRE-STQMWFEESA-N 1 1 319.361 1.892 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872662 356686764 /nfs/dbraw/zinc/68/67/64/356686764.db2.gz KLOYHUHEBMQXKW-BLLLJJGKSA-N 1 1 324.377 1.933 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595925115 356706965 /nfs/dbraw/zinc/70/69/65/356706965.db2.gz VIXAVSMASGUWGK-VIFPVBQESA-N 1 1 301.306 1.647 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076292 356764303 /nfs/dbraw/zinc/76/43/03/356764303.db2.gz OULWAEAKJVESDO-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537534 356910215 /nfs/dbraw/zinc/91/02/15/356910215.db2.gz HIVYXBZFNYIVTN-AWEZNQCLSA-N 1 1 305.378 1.939 20 5 DDBDMO CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597943904 357393069 /nfs/dbraw/zinc/39/30/69/357393069.db2.gz ASTZXXGEDFTUMA-LBPRGKRZSA-N 1 1 306.366 1.803 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CCC)C2)c1[N+](=O)[O-] ZINC000598341877 357543804 /nfs/dbraw/zinc/54/38/04/357543804.db2.gz HOLNBPDFYTWOGA-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000598512002 357610448 /nfs/dbraw/zinc/61/04/48/357610448.db2.gz VVZBCBSPKWHMNE-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000598512002 357610454 /nfs/dbraw/zinc/61/04/54/357610454.db2.gz VVZBCBSPKWHMNE-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000598618643 357656566 /nfs/dbraw/zinc/65/65/66/357656566.db2.gz NNSWYXZKIOKITL-VIFPVBQESA-N 1 1 317.305 1.400 20 5 DDBDMO COCC[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599017951 357795538 /nfs/dbraw/zinc/79/55/38/357795538.db2.gz RRMIJPDPSIMXQX-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO COC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599142322 357828168 /nfs/dbraw/zinc/82/81/68/357828168.db2.gz UQCYPHJXQPYMID-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1nn(C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179534437 199051872 /nfs/dbraw/zinc/05/18/72/199051872.db2.gz AWMQFFALAPTGSE-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599567327 357976606 /nfs/dbraw/zinc/97/66/06/357976606.db2.gz NTFUNVIYEXXJJH-HNNXBMFYSA-N 1 1 308.334 1.667 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599674128 358019714 /nfs/dbraw/zinc/01/97/14/358019714.db2.gz YVPVTRXHICGZDZ-TXEJJXNPSA-N 1 1 310.350 1.685 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCOCC2)C1 ZINC000600069308 358114664 /nfs/dbraw/zinc/11/46/64/358114664.db2.gz QQPAFTQKOWFNHO-UHFFFAOYSA-N 1 1 319.361 1.117 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600228817 358163755 /nfs/dbraw/zinc/16/37/55/358163755.db2.gz GCFURIBEROCQMH-NSHDSACASA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601127585 358413748 /nfs/dbraw/zinc/41/37/48/358413748.db2.gz KEZONFAMSSULCA-LLVKDONJSA-N 1 1 307.325 1.948 20 5 DDBDMO CC(=O)N[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601175867 358433840 /nfs/dbraw/zinc/43/38/40/358433840.db2.gz RBNOIJVYUONKRO-LLVKDONJSA-N 1 1 300.318 1.858 20 5 DDBDMO Cc1nn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601956663 358752978 /nfs/dbraw/zinc/75/29/78/358752978.db2.gz GWJCLDUZARHMCY-MRXNPFEDSA-N 1 1 316.361 1.737 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602099668 358812907 /nfs/dbraw/zinc/81/29/07/358812907.db2.gz ZALUZIINPTYMBR-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602472766 359001527 /nfs/dbraw/zinc/00/15/27/359001527.db2.gz PNTHPHGWRCUCJU-CHWSQXEVSA-N 1 1 324.381 1.080 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831420 359223155 /nfs/dbraw/zinc/22/31/55/359223155.db2.gz XMCZMSJOYGJBJU-LBPRGKRZSA-N 1 1 309.370 1.209 20 5 DDBDMO CCC[N@H+](CCN1CCCC1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832142 359223257 /nfs/dbraw/zinc/22/32/57/359223257.db2.gz RCZSONKQLFXLMI-UHFFFAOYSA-N 1 1 309.414 1.908 20 5 DDBDMO CCC[N@@H+](CCN1CCCC1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832142 359223264 /nfs/dbraw/zinc/22/32/64/359223264.db2.gz RCZSONKQLFXLMI-UHFFFAOYSA-N 1 1 309.414 1.908 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938985 359307559 /nfs/dbraw/zinc/30/75/59/359307559.db2.gz ZSBZFHCTLPYWRT-CIISACIHSA-N 1 1 317.345 1.640 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602892176 359275407 /nfs/dbraw/zinc/27/54/07/359275407.db2.gz MLBSMUKRWOIGQQ-CYBMUJFWSA-N 1 1 319.369 1.418 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000618455659 363637493 /nfs/dbraw/zinc/63/74/93/363637493.db2.gz COYVSBXIRZPIJP-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000602964698 359327430 /nfs/dbraw/zinc/32/74/30/359327430.db2.gz SFVDFVLKXSZJPP-DZGCQCFKSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000602964698 359327434 /nfs/dbraw/zinc/32/74/34/359327434.db2.gz SFVDFVLKXSZJPP-DZGCQCFKSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963874 359327813 /nfs/dbraw/zinc/32/78/13/359327813.db2.gz JLEQPQOAGDOFCA-WFASDCNBSA-N 1 1 310.350 1.575 20 5 DDBDMO C[C@](CO)([NH2+]CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602965942 359330762 /nfs/dbraw/zinc/33/07/62/359330762.db2.gz RSSSZBXHLUIMNY-MRXNPFEDSA-N 1 1 321.377 1.404 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141802 359431063 /nfs/dbraw/zinc/43/10/63/359431063.db2.gz IOQUVGXUTCUYRF-SNVBAGLBSA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141802 359431068 /nfs/dbraw/zinc/43/10/68/359431068.db2.gz IOQUVGXUTCUYRF-SNVBAGLBSA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141802 359431074 /nfs/dbraw/zinc/43/10/74/359431074.db2.gz IOQUVGXUTCUYRF-SNVBAGLBSA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141802 359431078 /nfs/dbraw/zinc/43/10/78/359431078.db2.gz IOQUVGXUTCUYRF-SNVBAGLBSA-N 1 1 309.370 1.429 20 5 DDBDMO CC1(C)[C@@H](Nc2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000603397054 359614906 /nfs/dbraw/zinc/61/49/06/359614906.db2.gz JLXYIIWSUFYJGA-STQMWFEESA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186855347 200022615 /nfs/dbraw/zinc/02/26/15/200022615.db2.gz OFCIXADKQITKDJ-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000186858871 200023053 /nfs/dbraw/zinc/02/30/53/200023053.db2.gz XQEUANFUPUBRKP-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187091476 200060220 /nfs/dbraw/zinc/06/02/20/200060220.db2.gz DXCIILOFYYGNSQ-LBPRGKRZSA-N 1 1 322.365 1.690 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188324977 200228694 /nfs/dbraw/zinc/22/86/94/200228694.db2.gz CJZIBOSUASZQNZ-GFCCVEGCSA-N 1 1 320.393 1.885 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)CCc2ccccc2)c1 ZINC000610453360 360440867 /nfs/dbraw/zinc/44/08/67/360440867.db2.gz ZYQXMJJPVMCOBU-UHFFFAOYSA-N 1 1 304.350 1.328 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000610394587 360425174 /nfs/dbraw/zinc/42/51/74/360425174.db2.gz FNFMFPRJDGIPDU-UHFFFAOYSA-N 1 1 320.393 1.855 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000611287538 360689808 /nfs/dbraw/zinc/68/98/08/360689808.db2.gz HFCOGYMXJSLJBM-GWCFXTLKSA-N 1 1 308.334 1.569 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525984 360748010 /nfs/dbraw/zinc/74/80/10/360748010.db2.gz WQLDQAXWSHYPJC-NSHDSACASA-N 1 1 308.382 1.447 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CSC2)cc1 ZINC000612592299 361075821 /nfs/dbraw/zinc/07/58/21/361075821.db2.gz HSHIWSXQQOWZFG-UHFFFAOYSA-N 1 1 302.377 1.074 20 5 DDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193822781 201129745 /nfs/dbraw/zinc/12/97/45/201129745.db2.gz MPSIGODNSLCQKD-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000193822781 201129748 /nfs/dbraw/zinc/12/97/48/201129748.db2.gz MPSIGODNSLCQKD-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194757358 201284362 /nfs/dbraw/zinc/28/43/62/201284362.db2.gz RQPBALBOEJAOJL-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113721 212128269 /nfs/dbraw/zinc/12/82/69/212128269.db2.gz YQSWSUDAAPESPW-IAQYHMDHSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113721 212128271 /nfs/dbraw/zinc/12/82/71/212128271.db2.gz YQSWSUDAAPESPW-IAQYHMDHSA-N 1 1 319.361 1.857 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067546 212101991 /nfs/dbraw/zinc/10/19/91/212101991.db2.gz AHXMBWQYVPLIHR-ONGXEEELSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067546 212101990 /nfs/dbraw/zinc/10/19/90/212101990.db2.gz AHXMBWQYVPLIHR-ONGXEEELSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067546 212101986 /nfs/dbraw/zinc/10/19/86/212101986.db2.gz AHXMBWQYVPLIHR-ONGXEEELSA-N 1 1 309.370 1.293 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264941507 204288103 /nfs/dbraw/zinc/28/81/03/204288103.db2.gz IJLZPCCPXSAWTO-NSHDSACASA-N 1 1 321.381 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274880642 212004099 /nfs/dbraw/zinc/00/40/99/212004099.db2.gz IHIYNZCBZHDCGN-SNVBAGLBSA-N 1 1 308.338 1.300 20 5 DDBDMO C[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000282795907 217256803 /nfs/dbraw/zinc/25/68/03/217256803.db2.gz ROEAEQNGFDOAFQ-UHFFFAOYSA-N 1 1 320.292 1.637 20 5 DDBDMO C[N@@H+](CCOCCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000282795907 217256806 /nfs/dbraw/zinc/25/68/06/217256806.db2.gz ROEAEQNGFDOAFQ-UHFFFAOYSA-N 1 1 320.292 1.637 20 5 DDBDMO CN(CC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000266336294 205276976 /nfs/dbraw/zinc/27/69/76/205276976.db2.gz UCKVFLUBEUGLAV-LBPRGKRZSA-N 1 1 306.366 1.241 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000158986728 248311192 /nfs/dbraw/zinc/31/11/92/248311192.db2.gz VOYFWODXDZUECJ-MRVPVSSYSA-N 1 1 309.351 1.412 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000041886251 183223527 /nfs/dbraw/zinc/22/35/27/183223527.db2.gz SKILIFDVMAGIDN-LBPRGKRZSA-N 1 1 323.349 1.389 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC=CCC1 ZINC000338710460 250100499 /nfs/dbraw/zinc/10/04/99/250100499.db2.gz HWVOKRUWAAQTMM-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338769348 250128779 /nfs/dbraw/zinc/12/87/79/250128779.db2.gz WLDLKYLRCBMEPZ-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000106394835 194206677 /nfs/dbraw/zinc/20/66/77/194206677.db2.gz XBYINHISQRDQHW-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO COCC[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000061378260 184169810 /nfs/dbraw/zinc/16/98/10/184169810.db2.gz WNMRUHQSGIXMHA-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO COCC[N@@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000061378260 184169811 /nfs/dbraw/zinc/16/98/11/184169811.db2.gz WNMRUHQSGIXMHA-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO COc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418996555 532958692 /nfs/dbraw/zinc/95/86/92/532958692.db2.gz FJSNLTQUGGGNER-VXGBXAGGSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](CCO)CC1CC1 ZINC000352458684 285063970 /nfs/dbraw/zinc/06/39/70/285063970.db2.gz NSMWTTMUZFJJFM-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272964683 210349600 /nfs/dbraw/zinc/34/96/00/210349600.db2.gz UBHVTBYMRUXXHE-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289540716 221052643 /nfs/dbraw/zinc/05/26/43/221052643.db2.gz BQXURDDJKNKXQN-NXEZZACHSA-N 1 1 315.333 1.153 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419317799 533220901 /nfs/dbraw/zinc/22/09/01/533220901.db2.gz APMDUYWKCNIWBP-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO CN(CC[NH+](C)C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295001701 224371605 /nfs/dbraw/zinc/37/16/05/224371605.db2.gz CBUXYSKBTNWKEP-UHFFFAOYSA-N 1 1 317.349 1.619 20 5 DDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000569121938 304337954 /nfs/dbraw/zinc/33/79/54/304337954.db2.gz APGVJMOLRVBMGB-NSHDSACASA-N 1 1 314.292 1.316 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000569162471 304339294 /nfs/dbraw/zinc/33/92/94/304339294.db2.gz UGNJRLYFKNZICO-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000569162471 304339296 /nfs/dbraw/zinc/33/92/96/304339296.db2.gz UGNJRLYFKNZICO-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000579748978 422827338 /nfs/dbraw/zinc/82/73/38/422827338.db2.gz IRQNMSJGVRAZMA-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000579748978 422827345 /nfs/dbraw/zinc/82/73/45/422827345.db2.gz IRQNMSJGVRAZMA-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000579748978 422827350 /nfs/dbraw/zinc/82/73/50/422827350.db2.gz IRQNMSJGVRAZMA-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000075953149 406946986 /nfs/dbraw/zinc/94/69/86/406946986.db2.gz VHEQOXDIMDCIKB-AWEZNQCLSA-N 1 1 324.377 1.959 20 5 DDBDMO C[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000041511817 407007724 /nfs/dbraw/zinc/00/77/24/407007724.db2.gz ZKEMRVOTQLCKMS-UHFFFAOYSA-N 1 1 301.144 1.504 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000090524933 407168740 /nfs/dbraw/zinc/16/87/40/407168740.db2.gz OUDCIMBOEZKJMN-CYBMUJFWSA-N 1 1 317.349 1.290 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284066 407336104 /nfs/dbraw/zinc/33/61/04/407336104.db2.gz ILKCSPUSYCBXHT-NEPJUHHUSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000124632753 407364521 /nfs/dbraw/zinc/36/45/21/407364521.db2.gz SKFHYYDRQXYOON-GDBMZVCRSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@@]1(O)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000124632753 407364522 /nfs/dbraw/zinc/36/45/22/407364522.db2.gz SKFHYYDRQXYOON-GDBMZVCRSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@]1(O)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000124772886 407369028 /nfs/dbraw/zinc/36/90/28/407369028.db2.gz CBPKZDJZEXYWCN-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000124772886 407369030 /nfs/dbraw/zinc/36/90/30/407369030.db2.gz CBPKZDJZEXYWCN-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000108343036 407384831 /nfs/dbraw/zinc/38/48/31/407384831.db2.gz NWWYVTHUXKMEJE-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000108343036 407384832 /nfs/dbraw/zinc/38/48/32/407384832.db2.gz NWWYVTHUXKMEJE-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000108343036 407384834 /nfs/dbraw/zinc/38/48/34/407384834.db2.gz NWWYVTHUXKMEJE-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000111635721 407413053 /nfs/dbraw/zinc/41/30/53/407413053.db2.gz ZZFBIHIIUYUCKB-SNVBAGLBSA-N 1 1 308.338 1.300 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270968071 407442549 /nfs/dbraw/zinc/44/25/49/407442549.db2.gz VTOGBQOVBXQCDG-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000115517062 407690213 /nfs/dbraw/zinc/69/02/13/407690213.db2.gz LHWXDKDBNPZDAD-CHWSQXEVSA-N 1 1 308.382 1.580 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000131924625 407759486 /nfs/dbraw/zinc/75/94/86/407759486.db2.gz JUINSWVWQSQZOM-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000117285333 407823728 /nfs/dbraw/zinc/82/37/28/407823728.db2.gz DYAHDCAULVLIDC-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000117285333 407823733 /nfs/dbraw/zinc/82/37/33/407823733.db2.gz DYAHDCAULVLIDC-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272467534 407935669 /nfs/dbraw/zinc/93/56/69/407935669.db2.gz WIABJMJPDXLUSI-GHMZBOCLSA-N 1 1 309.370 1.131 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272570170 407987870 /nfs/dbraw/zinc/98/78/70/407987870.db2.gz FTCDKOMRRXAYDK-WFASDCNBSA-N 1 1 319.361 1.526 20 5 DDBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000174968322 408017780 /nfs/dbraw/zinc/01/77/80/408017780.db2.gz ISKMXEVKISLVMG-UHFFFAOYSA-N 1 1 309.366 1.510 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000119487787 408080835 /nfs/dbraw/zinc/08/08/35/408080835.db2.gz IQVNTMZNSQLZAO-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000119487787 408080842 /nfs/dbraw/zinc/08/08/42/408080842.db2.gz IQVNTMZNSQLZAO-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136858162 408130497 /nfs/dbraw/zinc/13/04/97/408130497.db2.gz FWCFWOSESWZJHA-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000190009714 408145720 /nfs/dbraw/zinc/14/57/20/408145720.db2.gz AHZFOKCVOXAIOA-GFCCVEGCSA-N 1 1 310.350 1.039 20 5 DDBDMO C[N@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000269269697 408243670 /nfs/dbraw/zinc/24/36/70/408243670.db2.gz FPPLAXJCXJETCL-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000269269697 408243673 /nfs/dbraw/zinc/24/36/73/408243673.db2.gz FPPLAXJCXJETCL-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269456560 408314995 /nfs/dbraw/zinc/31/49/95/408314995.db2.gz HCSVNYUIBCJXFH-ZDUSSCGKSA-N 1 1 307.350 1.124 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333249 408272551 /nfs/dbraw/zinc/27/25/51/408272551.db2.gz ATGZKHRKRVHBSG-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333249 408272556 /nfs/dbraw/zinc/27/25/56/408272556.db2.gz ATGZKHRKRVHBSG-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333249 408272560 /nfs/dbraw/zinc/27/25/60/408272560.db2.gz ATGZKHRKRVHBSG-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182425 408345683 /nfs/dbraw/zinc/34/56/83/408345683.db2.gz UVZJBTZZAIWLEJ-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000191017778 408358803 /nfs/dbraw/zinc/35/88/03/408358803.db2.gz SFTHUNTZTFFJHN-AWEZNQCLSA-N 1 1 310.350 1.102 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000173466646 162340312 /nfs/dbraw/zinc/34/03/12/162340312.db2.gz ARMXDQKYESMEPD-GFCCVEGCSA-N 1 1 302.338 1.410 20 5 DDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192059 408386293 /nfs/dbraw/zinc/38/62/93/408386293.db2.gz WVPGHUACUMNUMJ-NTZNESFSSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192059 408386296 /nfs/dbraw/zinc/38/62/96/408386296.db2.gz WVPGHUACUMNUMJ-NTZNESFSSA-N 1 1 308.338 1.065 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264544052 408529722 /nfs/dbraw/zinc/52/97/22/408529722.db2.gz OFBOKHXSEIYRIR-CYBMUJFWSA-N 1 1 307.350 1.354 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270570519 408583695 /nfs/dbraw/zinc/58/36/95/408583695.db2.gz VFZFKUCQWUZXRQ-UHFFFAOYSA-N 1 1 306.366 1.484 20 5 DDBDMO Cc1c(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000192464469 408591382 /nfs/dbraw/zinc/59/13/82/408591382.db2.gz PFQUEZNWFWUFMR-OKILXGFUSA-N 1 1 303.362 1.466 20 5 DDBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000184498499 408629758 /nfs/dbraw/zinc/62/97/58/408629758.db2.gz OCSHAEYGQLDDFB-CYBMUJFWSA-N 1 1 324.381 1.845 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275857797 408698478 /nfs/dbraw/zinc/69/84/78/408698478.db2.gz LYYKFNWLFOSRPI-JOCQHMNTSA-N 1 1 307.350 1.429 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185215778 408781615 /nfs/dbraw/zinc/78/16/15/408781615.db2.gz UYTKYHJSMOFMBR-JTQLQIEISA-N 1 1 307.354 1.128 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000281322777 408881120 /nfs/dbraw/zinc/88/11/20/408881120.db2.gz YECQAMMQYQKFMN-OAHLLOKOSA-N 1 1 307.350 1.561 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291730409 408913974 /nfs/dbraw/zinc/91/39/74/408913974.db2.gz JNQUXPVYRWGIOO-CABCVRRESA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277482210 408948772 /nfs/dbraw/zinc/94/87/72/408948772.db2.gz CPGBAXREHGDQDY-WDEREUQCSA-N 1 1 319.365 1.362 20 5 DDBDMO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286288211 408957016 /nfs/dbraw/zinc/95/70/16/408957016.db2.gz INMOJJBZXSBDOX-OCCSQVGLSA-N 1 1 321.377 1.903 20 5 DDBDMO C[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281964005 408962006 /nfs/dbraw/zinc/96/20/06/408962006.db2.gz VGMNONMUPJCWGO-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO C[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281964005 408962009 /nfs/dbraw/zinc/96/20/09/408962009.db2.gz VGMNONMUPJCWGO-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCO1 ZINC000277619718 408978580 /nfs/dbraw/zinc/97/85/80/408978580.db2.gz QWGAUCABUBPVER-LLVKDONJSA-N 1 1 310.354 1.154 20 5 DDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000286435533 408985861 /nfs/dbraw/zinc/98/58/61/408985861.db2.gz JBFVOYUNKKICJH-XNHOIOAFSA-N 1 1 319.361 1.112 20 5 DDBDMO Cc1c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000293605947 409146304 /nfs/dbraw/zinc/14/63/04/409146304.db2.gz HELXVIAYJIZCAN-IUODEOHRSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355636 409297948 /nfs/dbraw/zinc/29/79/48/409297948.db2.gz INBBEKHMKYFMFE-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355636 409297953 /nfs/dbraw/zinc/29/79/53/409297953.db2.gz INBBEKHMKYFMFE-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000290099549 409300992 /nfs/dbraw/zinc/30/09/92/409300992.db2.gz IPEOVBCZXJUPLX-ZFWWWQNUSA-N 1 1 310.350 1.885 20 5 DDBDMO C[C@H](CO)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000280606606 409377893 /nfs/dbraw/zinc/37/78/93/409377893.db2.gz VOJRYVKWANPIQF-LLVKDONJSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280507076 409332257 /nfs/dbraw/zinc/33/22/57/409332257.db2.gz NINIUUHUPPEYNQ-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280507076 409332262 /nfs/dbraw/zinc/33/22/62/409332262.db2.gz NINIUUHUPPEYNQ-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[N@@H+](C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000290493134 409421506 /nfs/dbraw/zinc/42/15/06/409421506.db2.gz ABHJPSJNCPVFDR-CQSZACIVSA-N 1 1 321.377 1.113 20 5 DDBDMO CS[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296120948 409437229 /nfs/dbraw/zinc/43/72/29/409437229.db2.gz FNKLHGLBFALPDJ-CYBMUJFWSA-N 1 1 309.391 1.995 20 5 DDBDMO CS[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296120948 409437238 /nfs/dbraw/zinc/43/72/38/409437238.db2.gz FNKLHGLBFALPDJ-CYBMUJFWSA-N 1 1 309.391 1.995 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000295379009 409456726 /nfs/dbraw/zinc/45/67/26/409456726.db2.gz XLGZSNQKOKEZQW-UHFFFAOYSA-N 1 1 312.345 1.481 20 5 DDBDMO C[C@@H](CCC[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313633754 164010614 /nfs/dbraw/zinc/01/06/14/164010614.db2.gz HJXPKXZBZKJZHS-QMMMGPOBSA-N 1 1 305.331 1.140 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286344 164026965 /nfs/dbraw/zinc/02/69/65/164026965.db2.gz KMXJZRUAOOBCEG-QWRGUYRKSA-N 1 1 306.366 1.849 20 5 DDBDMO CN1CC[NH+](CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000322031388 164046299 /nfs/dbraw/zinc/04/62/99/164046299.db2.gz KWVNEHVLSVFOBR-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295387692 409462360 /nfs/dbraw/zinc/46/23/60/409462360.db2.gz BCBKJRAIKRZMMJ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295387692 409462365 /nfs/dbraw/zinc/46/23/65/409462365.db2.gz BCBKJRAIKRZMMJ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CS[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233472 409473501 /nfs/dbraw/zinc/47/35/01/409473501.db2.gz KTIWJEMKZCPREF-NWDGAFQWSA-N 1 1 312.391 1.772 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000331452804 409524434 /nfs/dbraw/zinc/52/44/34/409524434.db2.gz XUBURZRITRORJU-NSHDSACASA-N 1 1 321.381 1.558 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000304339056 409611109 /nfs/dbraw/zinc/61/11/09/409611109.db2.gz PGALAKOWPHARFT-JKSUJKDBSA-N 1 1 316.361 1.989 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471793 409658624 /nfs/dbraw/zinc/65/86/24/409658624.db2.gz LMBGWJCXWGIIQI-BXUZGUMPSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471793 409658633 /nfs/dbraw/zinc/65/86/33/409658633.db2.gz LMBGWJCXWGIIQI-BXUZGUMPSA-N 1 1 307.350 1.493 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000296854760 409669456 /nfs/dbraw/zinc/66/94/56/409669456.db2.gz UMCMRHATTRNQIO-ZIAGYGMSSA-N 1 1 317.349 1.380 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000356979644 409763727 /nfs/dbraw/zinc/76/37/27/409763727.db2.gz DMPQLUPTUSTFHT-STQMWFEESA-N 1 1 320.393 1.866 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342788902 409907629 /nfs/dbraw/zinc/90/76/29/409907629.db2.gz NYJOYXYCWNNUIR-LLVKDONJSA-N 1 1 306.366 1.614 20 5 DDBDMO Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000338285671 409875717 /nfs/dbraw/zinc/87/57/17/409875717.db2.gz UXNORULHRRIJDF-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000357308665 409967842 /nfs/dbraw/zinc/96/78/42/409967842.db2.gz WQTOKLLVZUTBRL-MNOVXSKESA-N 1 1 321.381 1.764 20 5 DDBDMO CC[N@@H+]1CC[C@@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393606 410153290 /nfs/dbraw/zinc/15/32/90/410153290.db2.gz KQKNBXFHDKXJQD-CVEARBPZSA-N 1 1 321.377 1.595 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393606 410153296 /nfs/dbraw/zinc/15/32/96/410153296.db2.gz KQKNBXFHDKXJQD-CVEARBPZSA-N 1 1 321.377 1.595 20 5 DDBDMO CCCC[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298664502 410336945 /nfs/dbraw/zinc/33/69/45/410336945.db2.gz GDRARNLCCGADTO-CQSZACIVSA-N 1 1 312.366 1.429 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000351959192 410372538 /nfs/dbraw/zinc/37/25/38/410372538.db2.gz NVEPXUQRWPCOJR-SKDRFNHKSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000351959192 410372545 /nfs/dbraw/zinc/37/25/45/410372545.db2.gz NVEPXUQRWPCOJR-SKDRFNHKSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407959 410461558 /nfs/dbraw/zinc/46/15/58/410461558.db2.gz GCOLWDDGDUCFRG-MEBBXXQBSA-N 1 1 321.352 1.875 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343401965 410424532 /nfs/dbraw/zinc/42/45/32/410424532.db2.gz VZCYOANGYJWCQX-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000347365396 410498644 /nfs/dbraw/zinc/49/86/44/410498644.db2.gz HHYXYJZJVPNADN-ZDUSSCGKSA-N 1 1 312.391 1.773 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347358667 410493919 /nfs/dbraw/zinc/49/39/19/410493919.db2.gz LHFYVTZGTRSOBY-USXITJPFSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347358667 410493927 /nfs/dbraw/zinc/49/39/27/410493927.db2.gz LHFYVTZGTRSOBY-USXITJPFSA-N 1 1 319.361 1.573 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352191210 410535865 /nfs/dbraw/zinc/53/58/65/410535865.db2.gz SQYRFZYWKZHZOP-UHFFFAOYSA-N 1 1 324.356 1.700 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343612222 410571655 /nfs/dbraw/zinc/57/16/55/410571655.db2.gz VNXXGSLPKKRKBI-BXUZGUMPSA-N 1 1 306.366 1.877 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1OC)C1CC1 ZINC000355631193 410616708 /nfs/dbraw/zinc/61/67/08/410616708.db2.gz DKWZRWXHBPOJMQ-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(CCO)CCOCC1 ZINC000352998533 410725397 /nfs/dbraw/zinc/72/53/97/410725397.db2.gz RSFITBVQCOPNBF-UHFFFAOYSA-N 1 1 324.377 1.837 20 5 DDBDMO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000330560761 410779063 /nfs/dbraw/zinc/77/90/63/410779063.db2.gz HVPLTSJTTGJUNV-MNOVXSKESA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579884 410794375 /nfs/dbraw/zinc/79/43/75/410794375.db2.gz IIXFFANDUBLSPZ-RYUDHWBXSA-N 1 1 307.350 1.525 20 5 DDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCCCCC1 ZINC000353183227 410835654 /nfs/dbraw/zinc/83/56/54/410835654.db2.gz PGJXWLXSMUTAPX-UHFFFAOYSA-N 1 1 323.397 1.516 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)N1CCCCCC1 ZINC000353183227 410835661 /nfs/dbraw/zinc/83/56/61/410835661.db2.gz PGJXWLXSMUTAPX-UHFFFAOYSA-N 1 1 323.397 1.516 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356284385 410944181 /nfs/dbraw/zinc/94/41/81/410944181.db2.gz PBYBKJYFDVZRCO-NEPJUHHUSA-N 1 1 308.382 1.736 20 5 DDBDMO Cn1ccc(N2CC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2=O)n1 ZINC000360091407 411040212 /nfs/dbraw/zinc/04/02/12/411040212.db2.gz CYCVJEIZYCGLCL-SNVBAGLBSA-N 1 1 321.362 1.285 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129539778 196056202 /nfs/dbraw/zinc/05/62/02/196056202.db2.gz WDNFHIONDOKXGO-INIZCTEOSA-N 1 1 319.405 1.791 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756840 416560752 /nfs/dbraw/zinc/56/07/52/416560752.db2.gz WXUHWAPJSSCJHP-AXFHLTTASA-N 1 1 306.370 1.134 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000366761188 418514019 /nfs/dbraw/zinc/51/40/19/418514019.db2.gz RIFXXBQQBDPOCS-LLVKDONJSA-N 1 1 300.322 1.566 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000366761188 418514023 /nfs/dbraw/zinc/51/40/23/418514023.db2.gz RIFXXBQQBDPOCS-LLVKDONJSA-N 1 1 300.322 1.566 20 5 DDBDMO O=C([C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000360851939 418533402 /nfs/dbraw/zinc/53/34/02/418533402.db2.gz SPGJPYRQAZWEFV-CQSZACIVSA-N 1 1 321.381 1.268 20 5 DDBDMO O=C([C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000360851939 418533405 /nfs/dbraw/zinc/53/34/05/418533405.db2.gz SPGJPYRQAZWEFV-CQSZACIVSA-N 1 1 321.381 1.268 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000374821517 418566127 /nfs/dbraw/zinc/56/61/27/418566127.db2.gz FRFKWPNRJQVBRI-JTQLQIEISA-N 1 1 322.340 1.626 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000191632772 222106466 /nfs/dbraw/zinc/10/64/66/222106466.db2.gz PDMPXYUYXRYKGZ-WDEREUQCSA-N 1 1 309.370 1.223 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)n1 ZINC000191830405 222109617 /nfs/dbraw/zinc/10/96/17/222109617.db2.gz WQTYDVDRZAXOKV-LLVKDONJSA-N 1 1 309.370 1.225 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015953 418588912 /nfs/dbraw/zinc/58/89/12/418588912.db2.gz DHABDNAWXQEBJG-IAQYHMDHSA-N 1 1 318.377 1.220 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052761 418595814 /nfs/dbraw/zinc/59/58/14/418595814.db2.gz ZLZVUUFUZYGOEC-IINYFYTJSA-N 1 1 304.350 1.224 20 5 DDBDMO O=[N+]([O-])c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000352385622 418644736 /nfs/dbraw/zinc/64/47/36/418644736.db2.gz KITMOLGTVBEIMM-UHFFFAOYSA-N 1 1 315.333 1.834 20 5 DDBDMO C[C@@H]1C[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1C ZINC000342362607 418627781 /nfs/dbraw/zinc/62/77/81/418627781.db2.gz QRSDBNNVDMDYND-NXEZZACHSA-N 1 1 317.349 2.138 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)C1 ZINC000365100676 418837556 /nfs/dbraw/zinc/83/75/56/418837556.db2.gz PPFUCTDQZMEIDH-CQSZACIVSA-N 1 1 322.384 1.950 20 5 DDBDMO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280824 418851127 /nfs/dbraw/zinc/85/11/27/418851127.db2.gz GGUXTZHUNZNGBI-OLZOCXBDSA-N 1 1 323.397 1.685 20 5 DDBDMO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280824 418851129 /nfs/dbraw/zinc/85/11/29/418851129.db2.gz GGUXTZHUNZNGBI-OLZOCXBDSA-N 1 1 323.397 1.685 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002940 419436639 /nfs/dbraw/zinc/43/66/39/419436639.db2.gz BYHULHAPJANSOQ-XBFCOCLRSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000421033336 419462006 /nfs/dbraw/zinc/46/20/06/419462006.db2.gz XPFPGIRYVWCYKZ-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000421033336 419462009 /nfs/dbraw/zinc/46/20/09/419462009.db2.gz XPFPGIRYVWCYKZ-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000427074819 419590431 /nfs/dbraw/zinc/59/04/31/419590431.db2.gz QHBMZTFDJSHHTF-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000421771474 419721508 /nfs/dbraw/zinc/72/15/08/419721508.db2.gz WYWOSGIIOWRLGR-CYBMUJFWSA-N 1 1 320.393 1.187 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000299263966 229016200 /nfs/dbraw/zinc/01/62/00/229016200.db2.gz WMZWNTVRDGMPQO-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCSC1 ZINC000433189202 229169541 /nfs/dbraw/zinc/16/95/41/229169541.db2.gz DJOVJRQYTUDSDG-GFCCVEGCSA-N 1 1 314.411 1.635 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000429168398 419980300 /nfs/dbraw/zinc/98/03/00/419980300.db2.gz PESBKGIIIQBHGU-UHFFFAOYSA-N 1 1 322.365 1.429 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH3+])CC1 ZINC000430671026 420174378 /nfs/dbraw/zinc/17/43/78/420174378.db2.gz WZMMDBBJGNIIPB-UHFFFAOYSA-N 1 1 322.365 1.355 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000420283565 420180762 /nfs/dbraw/zinc/18/07/62/420180762.db2.gz CDIYZEASHPRQLL-SWLSCSKDSA-N 1 1 320.393 1.983 20 5 DDBDMO O=C(CC[N@H+]1C[C@H]2CCC[C@@H](C1)N2)Nc1ccc([N+](=O)[O-])cc1 ZINC000420346287 420224716 /nfs/dbraw/zinc/22/47/16/420224716.db2.gz CQFARUXPSWRLQJ-OKILXGFUSA-N 1 1 318.377 1.750 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2)Nc1ccc([N+](=O)[O-])cc1 ZINC000420346287 420224719 /nfs/dbraw/zinc/22/47/19/420224719.db2.gz CQFARUXPSWRLQJ-OKILXGFUSA-N 1 1 318.377 1.750 20 5 DDBDMO COCCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686193 230121715 /nfs/dbraw/zinc/12/17/15/230121715.db2.gz BWJUPBSFCTUHHA-UHFFFAOYSA-N 1 1 308.338 1.302 20 5 DDBDMO COCCC[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686193 230121718 /nfs/dbraw/zinc/12/17/18/230121718.db2.gz BWJUPBSFCTUHHA-UHFFFAOYSA-N 1 1 308.338 1.302 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302178432 230144837 /nfs/dbraw/zinc/14/48/37/230144837.db2.gz YEIRZYQSIOZECM-UHFFFAOYSA-N 1 1 302.338 1.577 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000457093337 420609395 /nfs/dbraw/zinc/60/93/95/420609395.db2.gz NYPGJWSLKWAJLB-LLVKDONJSA-N 1 1 308.338 1.250 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCCCC1 ZINC000449095514 420948139 /nfs/dbraw/zinc/94/81/39/420948139.db2.gz ZBGKHKQLOLBYHY-ZBFHGGJFSA-N 1 1 321.421 1.962 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCCC1 ZINC000449093013 420948423 /nfs/dbraw/zinc/94/84/23/420948423.db2.gz NUYUDQLDHRTGPJ-ZFWWWQNUSA-N 1 1 307.394 1.572 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCC1 ZINC000449093013 420948427 /nfs/dbraw/zinc/94/84/27/420948427.db2.gz NUYUDQLDHRTGPJ-ZFWWWQNUSA-N 1 1 307.394 1.572 20 5 DDBDMO [NH3+]CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)F ZINC000449612553 421038467 /nfs/dbraw/zinc/03/84/67/421038467.db2.gz MXCUSGYKMXGTCJ-VIFPVBQESA-N 1 1 313.264 1.183 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000456167595 421111974 /nfs/dbraw/zinc/11/19/74/421111974.db2.gz NFZCZLLVQOBGHK-RISCZKNCSA-N 1 1 323.780 1.953 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488767293 421114441 /nfs/dbraw/zinc/11/44/41/421114441.db2.gz VTVTVGZCRIXWSI-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488767293 421114444 /nfs/dbraw/zinc/11/44/44/421114444.db2.gz VTVTVGZCRIXWSI-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490043248 421187404 /nfs/dbraw/zinc/18/74/04/421187404.db2.gz BFCPJTYOEJVIHJ-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450442790 421198505 /nfs/dbraw/zinc/19/85/05/421198505.db2.gz YOSLQIFGEUMMFE-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525670436 421292972 /nfs/dbraw/zinc/29/29/72/421292972.db2.gz SRLYMIRLCGSBTC-CQSZACIVSA-N 1 1 305.378 1.984 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547756409 421363394 /nfs/dbraw/zinc/36/33/94/421363394.db2.gz NXUNFNWRTOLOIB-JTQLQIEISA-N 1 1 309.370 1.558 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1C ZINC000507300169 421427163 /nfs/dbraw/zinc/42/71/63/421427163.db2.gz OIBYYFXMYWCXLU-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1C ZINC000507300169 421427166 /nfs/dbraw/zinc/42/71/66/421427166.db2.gz OIBYYFXMYWCXLU-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Nc1nccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000514610809 421440607 /nfs/dbraw/zinc/44/06/07/421440607.db2.gz ACZKGXLGTSFFTK-JTQLQIEISA-N 1 1 319.365 1.319 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000550657231 421520901 /nfs/dbraw/zinc/52/09/01/421520901.db2.gz NUPLIUBDDAHHOH-LBPRGKRZSA-N 1 1 320.393 1.948 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777272 421629669 /nfs/dbraw/zinc/62/96/69/421629669.db2.gz DWYZWLZQBDZSHE-OCCSQVGLSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777272 421629674 /nfs/dbraw/zinc/62/96/74/421629674.db2.gz DWYZWLZQBDZSHE-OCCSQVGLSA-N 1 1 310.350 1.169 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554868329 421663938 /nfs/dbraw/zinc/66/39/38/421663938.db2.gz FBHGZEISKJLLHI-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000533447841 421674376 /nfs/dbraw/zinc/67/43/76/421674376.db2.gz ZOTWHIWSDADQMG-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000573135729 421927705 /nfs/dbraw/zinc/92/77/05/421927705.db2.gz DVHVWZOLQDVEBN-NWDGAFQWSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000578587014 422602300 /nfs/dbraw/zinc/60/23/00/422602300.db2.gz QWSQTLNOEYRZNS-NSHDSACASA-N 1 1 305.334 1.268 20 5 DDBDMO CCCC[N@@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000342162187 271324920 /nfs/dbraw/zinc/32/49/20/271324920.db2.gz NTYQWADGWSLFJQ-UHFFFAOYSA-N 1 1 310.354 1.920 20 5 DDBDMO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262878592 274377212 /nfs/dbraw/zinc/37/72/12/274377212.db2.gz VRYIFOJOOFWTRW-KCJUWKMLSA-N 1 1 303.322 1.199 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171506810 275035999 /nfs/dbraw/zinc/03/59/99/275035999.db2.gz NCIXJWJKBJTSEY-UHFFFAOYSA-N 1 1 310.310 1.007 20 5 DDBDMO CC(C)([NH2+]CC(=O)NC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429233149 275552448 /nfs/dbraw/zinc/55/24/48/275552448.db2.gz VVLWHVDWMABDQX-UHFFFAOYSA-N 1 1 321.377 1.715 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685988 278290123 /nfs/dbraw/zinc/29/01/23/278290123.db2.gz OGRWHYLGZOVMER-NSHDSACASA-N 1 1 319.365 1.364 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354005116 298336788 /nfs/dbraw/zinc/33/67/88/298336788.db2.gz FBRLTGKWFHQBBU-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC(C)(C(=O)NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000357995028 299044288 /nfs/dbraw/zinc/04/42/88/299044288.db2.gz TVHGQIJSZMKNHV-UHFFFAOYSA-N 1 1 309.341 1.833 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363094667 300209668 /nfs/dbraw/zinc/20/96/68/300209668.db2.gz GGYUPMQZFODIRT-ZIAGYGMSSA-N 1 1 320.349 1.580 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363103383 300211540 /nfs/dbraw/zinc/21/15/40/300211540.db2.gz HVEBEGFFEYNWLO-ZIAGYGMSSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363324524 300251826 /nfs/dbraw/zinc/25/18/26/300251826.db2.gz PQZHIGBGNIIQGF-UONOGXRCSA-N 1 1 303.362 1.880 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364322097 300376057 /nfs/dbraw/zinc/37/60/57/300376057.db2.gz DOKOMUQWSWULDN-AWEZNQCLSA-N 1 1 324.381 1.045 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364325929 300376791 /nfs/dbraw/zinc/37/67/91/300376791.db2.gz SJTXKJWATKGJJN-CYBMUJFWSA-N 1 1 321.381 1.439 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364433727 300396107 /nfs/dbraw/zinc/39/61/07/300396107.db2.gz VLOSITAVPPYYMG-HUUCEWRRSA-N 1 1 319.361 1.266 20 5 DDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000367995014 300929620 /nfs/dbraw/zinc/92/96/20/300929620.db2.gz XGEZXLKBVLNCAB-JTQLQIEISA-N 1 1 319.695 1.927 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]2O1 ZINC000368521639 301047833 /nfs/dbraw/zinc/04/78/33/301047833.db2.gz HJUXUHPKLRDUOJ-MGPQQGTHSA-N 1 1 324.381 1.184 20 5 DDBDMO COc1ccc(CN2CCC[N@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000368953015 301109648 /nfs/dbraw/zinc/10/96/48/301109648.db2.gz ZGYQZQFTUINXQY-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952731 301109655 /nfs/dbraw/zinc/10/96/55/301109655.db2.gz XEMHFXPZGJHAJE-CQDKDKBSSA-N 1 1 319.361 1.559 20 5 DDBDMO C[N@H+]1CCC[C@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685061 301212778 /nfs/dbraw/zinc/21/27/78/301212778.db2.gz ZJRIUZJZJFHHPP-ZDUSSCGKSA-N 1 1 307.398 1.913 20 5 DDBDMO C[N@@H+]1CCC[C@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685061 301212781 /nfs/dbraw/zinc/21/27/81/301212781.db2.gz ZJRIUZJZJFHHPP-ZDUSSCGKSA-N 1 1 307.398 1.913 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369685061 301212783 /nfs/dbraw/zinc/21/27/83/301212783.db2.gz ZJRIUZJZJFHHPP-ZDUSSCGKSA-N 1 1 307.398 1.913 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC000370166707 301287273 /nfs/dbraw/zinc/28/72/73/301287273.db2.gz ZQLKEXBMJOHHLD-GXSJLCMTSA-N 1 1 307.354 1.094 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000376032860 302028022 /nfs/dbraw/zinc/02/80/22/302028022.db2.gz AKOLYITZDHWXEC-GFCCVEGCSA-N 1 1 323.397 1.013 20 5 DDBDMO CC(C)(CC[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000397192191 302352552 /nfs/dbraw/zinc/35/25/52/302352552.db2.gz PLJBPJUJMADEMJ-UHFFFAOYSA-N 1 1 305.331 1.140 20 5 DDBDMO O=[N+]([O-])c1cnccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000357051217 306868273 /nfs/dbraw/zinc/86/82/73/306868273.db2.gz PALNBRUCRJLFOG-UHFFFAOYSA-N 1 1 320.393 1.859 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735110 303550178 /nfs/dbraw/zinc/55/01/78/303550178.db2.gz OVPHHJPNUIXCGL-UHFFFAOYSA-N 1 1 301.306 1.280 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]12 ZINC000366316045 307070660 /nfs/dbraw/zinc/07/06/60/307070660.db2.gz TXZBQYXNATVWHL-WDEREUQCSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]12 ZINC000366316045 307070661 /nfs/dbraw/zinc/07/06/61/307070661.db2.gz TXZBQYXNATVWHL-WDEREUQCSA-N 1 1 323.736 1.343 20 5 DDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000366584302 307076763 /nfs/dbraw/zinc/07/67/63/307076763.db2.gz FIBVPLVQBQOHHL-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000366584302 307076764 /nfs/dbraw/zinc/07/67/64/307076764.db2.gz FIBVPLVQBQOHHL-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000378507650 307290570 /nfs/dbraw/zinc/29/05/70/307290570.db2.gz WPDYHAQXBHKEEU-WDEREUQCSA-N 1 1 302.338 1.168 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000571819529 308203008 /nfs/dbraw/zinc/20/30/08/308203008.db2.gz CIRSDCTXCJENQD-UHFFFAOYSA-N 1 1 321.377 1.835 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000577101048 308362950 /nfs/dbraw/zinc/36/29/50/308362950.db2.gz UVGUXUJVGCOSMU-LBPRGKRZSA-N 1 1 316.361 1.687 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413256315 534792685 /nfs/dbraw/zinc/79/26/85/534792685.db2.gz CKWMDOKPUULAGR-UHFFFAOYSA-N 1 1 320.328 1.943 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000157291069 527312359 /nfs/dbraw/zinc/31/23/59/527312359.db2.gz RWEKLBAYMSAYKS-WFASDCNBSA-N 1 1 318.377 1.855 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000445132745 527929892 /nfs/dbraw/zinc/92/98/92/527929892.db2.gz GYHZMFCAICFXRB-NXEZZACHSA-N 1 1 308.338 1.250 20 5 DDBDMO C[C@@H](CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000736024924 598522908 /nfs/dbraw/zinc/52/29/08/598522908.db2.gz CIPURFGQGBRUNO-VIFPVBQESA-N 1 1 317.353 1.670 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581309 698121230 /nfs/dbraw/zinc/12/12/30/698121230.db2.gz CIXQDFVVUYMATI-CABCVRRESA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581309 698121231 /nfs/dbraw/zinc/12/12/31/698121231.db2.gz CIXQDFVVUYMATI-CABCVRRESA-N 1 1 319.361 1.371 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000776593479 698124151 /nfs/dbraw/zinc/12/41/51/698124151.db2.gz JVTARQUHJAORIA-CVEARBPZSA-N 1 1 321.377 1.035 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000787187633 699194930 /nfs/dbraw/zinc/19/49/30/699194930.db2.gz TUFJOXFXHPPYAT-QWRGUYRKSA-N 1 1 306.366 1.732 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000719003849 699297458 /nfs/dbraw/zinc/29/74/58/699297458.db2.gz ZFUJIOJXNFAUNP-LBPRGKRZSA-N 1 1 308.334 1.798 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588968 699642119 /nfs/dbraw/zinc/64/21/19/699642119.db2.gz GZRZZILHJDSDEE-MAZHCROVSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588968 699642120 /nfs/dbraw/zinc/64/21/20/699642120.db2.gz GZRZZILHJDSDEE-MAZHCROVSA-N 1 1 322.361 1.508 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000793745382 699776243 /nfs/dbraw/zinc/77/62/43/699776243.db2.gz ODFUBEHFDMJXGN-INIZCTEOSA-N 1 1 315.377 1.930 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000743376181 699909936 /nfs/dbraw/zinc/90/99/36/699909936.db2.gz JURUDDJACITOQS-OAHLLOKOSA-N 1 1 315.377 1.955 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000744798670 699961304 /nfs/dbraw/zinc/96/13/04/699961304.db2.gz MRSVODITQNWBTA-SNVBAGLBSA-N 1 1 322.321 1.575 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056542 700837191 /nfs/dbraw/zinc/83/71/91/700837191.db2.gz YADKAXYKHMQBIA-PSASIEDQSA-N 1 1 308.260 1.036 20 5 DDBDMO Cn1cc([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761527181 700862711 /nfs/dbraw/zinc/86/27/11/700862711.db2.gz NUGYAISTMXUUFZ-GFCCVEGCSA-N 1 1 310.741 1.805 20 5 DDBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000770237077 701272561 /nfs/dbraw/zinc/27/25/61/701272561.db2.gz RMXPEBVWAVLZQO-PEVLQBLXSA-N 1 1 319.361 1.443 20 5 DDBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000770237077 701272562 /nfs/dbraw/zinc/27/25/62/701272562.db2.gz RMXPEBVWAVLZQO-PEVLQBLXSA-N 1 1 319.361 1.443 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000771407588 701318814 /nfs/dbraw/zinc/31/88/14/701318814.db2.gz RRVCBVIPLPVKEN-NEPJUHHUSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000771407588 701318815 /nfs/dbraw/zinc/31/88/15/701318815.db2.gz RRVCBVIPLPVKEN-NEPJUHHUSA-N 1 1 320.393 1.825 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000879133813 706595948 /nfs/dbraw/zinc/59/59/48/706595948.db2.gz JGSYVNZEKIQZKM-PEYYIBSZSA-N 1 1 322.361 1.759 20 5 DDBDMO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000839605674 701751700 /nfs/dbraw/zinc/75/17/00/701751700.db2.gz YTLBMLLLEOTEMF-BZUAXINKSA-N 1 1 317.389 1.913 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000839700197 701789664 /nfs/dbraw/zinc/78/96/64/701789664.db2.gz CUEOTLHVBXFTEC-SPWCGHHHSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000839700197 701789667 /nfs/dbraw/zinc/78/96/67/701789667.db2.gz CUEOTLHVBXFTEC-SPWCGHHHSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000839700197 701789671 /nfs/dbraw/zinc/78/96/71/701789671.db2.gz CUEOTLHVBXFTEC-SPWCGHHHSA-N 1 1 303.362 1.431 20 5 DDBDMO CC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000812298261 702141994 /nfs/dbraw/zinc/14/19/94/702141994.db2.gz KMYLTXABZFKXBB-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000812298261 702141995 /nfs/dbraw/zinc/14/19/95/702141995.db2.gz KMYLTXABZFKXBB-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CN1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000866212047 706650442 /nfs/dbraw/zinc/65/04/42/706650442.db2.gz BWZWKGVDRNCXTG-UHFFFAOYSA-N 1 1 311.411 1.268 20 5 DDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835477 703339364 /nfs/dbraw/zinc/33/93/64/703339364.db2.gz BNPNHWSHEGRTGA-UKRRQHHQSA-N 1 1 316.361 1.851 20 5 DDBDMO C[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000847783916 703466194 /nfs/dbraw/zinc/46/61/94/703466194.db2.gz IRVSLOAVKMYQJI-NSHDSACASA-N 1 1 310.354 1.636 20 5 DDBDMO O=C1NCCO[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000879717938 706768755 /nfs/dbraw/zinc/76/87/55/706768755.db2.gz IPMYMPSAVXJLSN-CABCVRRESA-N 1 1 319.361 1.117 20 5 DDBDMO O=C1NCCO[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000879717938 706768758 /nfs/dbraw/zinc/76/87/58/706768758.db2.gz IPMYMPSAVXJLSN-CABCVRRESA-N 1 1 319.361 1.117 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000819323311 704107300 /nfs/dbraw/zinc/10/73/00/704107300.db2.gz ZIBAMQBWSVVNRL-NHYWBVRUSA-N 1 1 302.334 1.498 20 5 DDBDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786399 704132070 /nfs/dbraw/zinc/13/20/70/704132070.db2.gz WHMOJTVPMRIXPL-QWRGUYRKSA-N 1 1 310.354 1.748 20 5 DDBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789516 704132566 /nfs/dbraw/zinc/13/25/66/704132566.db2.gz HFZLOLUEBLJUSD-QWHCGFSZSA-N 1 1 324.381 1.988 20 5 DDBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828431 704137881 /nfs/dbraw/zinc/13/78/81/704137881.db2.gz QRQPRUWLHZBPDX-UXUKBGGZSA-N 1 1 322.365 1.912 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828431 704137883 /nfs/dbraw/zinc/13/78/83/704137883.db2.gz QRQPRUWLHZBPDX-UXUKBGGZSA-N 1 1 322.365 1.912 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000870875063 704153644 /nfs/dbraw/zinc/15/36/44/704153644.db2.gz UUHQYJKQFHGTPP-INIZCTEOSA-N 1 1 318.377 1.075 20 5 DDBDMO COC[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870892153 704159213 /nfs/dbraw/zinc/15/92/13/704159213.db2.gz NUYCNQAQOCTLRN-NHYWBVRUSA-N 1 1 307.350 1.264 20 5 DDBDMO CN(CC1=CCCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870953783 704180377 /nfs/dbraw/zinc/18/03/77/704180377.db2.gz NBLLJZZITYGDCV-INIZCTEOSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CCC1(C)C ZINC000871155475 704233188 /nfs/dbraw/zinc/23/31/88/704233188.db2.gz RNVLVMSVMWIXIK-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855165882 704471773 /nfs/dbraw/zinc/47/17/73/704471773.db2.gz ZRWHDRQNQODKHJ-SECBINFHSA-N 1 1 307.354 1.175 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284602 704477291 /nfs/dbraw/zinc/47/72/91/704477291.db2.gz WDBKTWSLNQZIFM-TZMCWYRMSA-N 1 1 321.377 1.617 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000856281498 704521417 /nfs/dbraw/zinc/52/14/17/704521417.db2.gz DUBHUKORXSFAHV-CQSZACIVSA-N 1 1 323.393 1.865 20 5 DDBDMO Cc1ccc(O[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000858035952 704660680 /nfs/dbraw/zinc/66/06/80/704660680.db2.gz MPTUIGCQDTTXOF-ZDUSSCGKSA-N 1 1 317.349 1.648 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000834315306 707028567 /nfs/dbraw/zinc/02/85/67/707028567.db2.gz YQPGRBNZXNVGTP-RNCFNFMXSA-N 1 1 320.305 1.279 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179372 705163388 /nfs/dbraw/zinc/16/33/88/705163388.db2.gz MMGGOYZBLMYHMD-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179372 705163389 /nfs/dbraw/zinc/16/33/89/705163389.db2.gz MMGGOYZBLMYHMD-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179372 705163390 /nfs/dbraw/zinc/16/33/90/705163390.db2.gz MMGGOYZBLMYHMD-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874830374 705189336 /nfs/dbraw/zinc/18/93/36/705189336.db2.gz RGOXYZHZWPMWFB-CHWSQXEVSA-N 1 1 319.361 1.912 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826128927 705775258 /nfs/dbraw/zinc/77/52/58/705775258.db2.gz WOJMARZIEYJPRE-GJZGRUSLSA-N 1 1 321.377 1.427 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329454 705977061 /nfs/dbraw/zinc/97/70/61/705977061.db2.gz GPTJISULARIDQJ-OLZOCXBDSA-N 1 1 319.361 1.770 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375175 705989291 /nfs/dbraw/zinc/98/92/91/705989291.db2.gz TYKVNXYNKGPWBD-QWHCGFSZSA-N 1 1 319.361 1.770 20 5 DDBDMO CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993203 707272720 /nfs/dbraw/zinc/27/27/20/707272720.db2.gz MQTQIZYNXVNXQL-ABAIWWIYSA-N 1 1 322.361 1.759 20 5 DDBDMO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000829299363 706315842 /nfs/dbraw/zinc/31/58/42/706315842.db2.gz UXKWXKKJEQWLQK-UHFFFAOYSA-N 1 1 323.349 1.372 20 5 DDBDMO C[C@](O)(C[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303409 706352252 /nfs/dbraw/zinc/35/22/52/706352252.db2.gz PYUXGDIMAGHWMI-PBHICJAKSA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@](O)(C[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303409 706352253 /nfs/dbraw/zinc/35/22/53/706352253.db2.gz PYUXGDIMAGHWMI-PBHICJAKSA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830015880 706437980 /nfs/dbraw/zinc/43/79/80/706437980.db2.gz GFDYBIMLQOTUNX-YMTOWFKASA-N 1 1 307.325 1.946 20 5 DDBDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880039119 706860297 /nfs/dbraw/zinc/86/02/97/706860297.db2.gz FSCFBCYKAPIKCZ-LBPRGKRZSA-N 1 1 310.354 1.457 20 5 DDBDMO COC(=O)CC[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000880042639 706861899 /nfs/dbraw/zinc/86/18/99/706861899.db2.gz FOEFXJZKMMDECH-CYBMUJFWSA-N 1 1 324.381 1.765 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072652 706870997 /nfs/dbraw/zinc/87/09/97/706870997.db2.gz GDLCPRYKSIGVEM-LSDHHAIUSA-N 1 1 321.377 1.244 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1F ZINC000880071915 706871154 /nfs/dbraw/zinc/87/11/54/706871154.db2.gz QEIAMTGIXSQGRB-QWHCGFSZSA-N 1 1 309.341 1.375 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000872126480 707297809 /nfs/dbraw/zinc/29/78/09/707297809.db2.gz KQSCMFBJTVJIGU-KCPJHIHWSA-N 1 1 316.361 1.778 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000882317526 707581240 /nfs/dbraw/zinc/58/12/40/707581240.db2.gz ICFJSYGICDJPGT-GFCCVEGCSA-N 1 1 324.356 1.678 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3CO)nc2c1 ZINC000872757604 707586739 /nfs/dbraw/zinc/58/67/39/707586739.db2.gz GVBVSNHGCLCONV-NWDGAFQWSA-N 1 1 317.349 1.116 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000837511972 707669719 /nfs/dbraw/zinc/66/97/19/707669719.db2.gz XQLXZIJHHFTYDK-UHFFFAOYSA-N 1 1 300.318 1.997 20 5 DDBDMO CON1CCC([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000839131965 708028710 /nfs/dbraw/zinc/02/87/10/708028710.db2.gz SDERXQQMHXIZHO-OAHLLOKOSA-N 1 1 309.366 1.586 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914341 708181296 /nfs/dbraw/zinc/18/12/96/708181296.db2.gz AUXRYRYCAGCLTM-ABAIWWIYSA-N 1 1 304.350 1.082 20 5 DDBDMO COc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221297 708259343 /nfs/dbraw/zinc/25/93/43/708259343.db2.gz KYGCWZGFLOFPIZ-UONOGXRCSA-N 1 1 321.377 1.639 20 5 DDBDMO C[C@](O)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000885937584 708666626 /nfs/dbraw/zinc/66/66/26/708666626.db2.gz DFZXYNPUAMLZTA-ZDUSSCGKSA-N 1 1 316.308 1.128 20 5 DDBDMO O=C1CCCN1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885988859 708676807 /nfs/dbraw/zinc/67/68/07/708676807.db2.gz QARRBLSOQOPDID-UHFFFAOYSA-N 1 1 304.350 1.577 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000886564338 708777612 /nfs/dbraw/zinc/77/76/12/708777612.db2.gz TVMWWVOBDNJOHV-TXEJJXNPSA-N 1 1 321.402 1.852 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000886799100 708847128 /nfs/dbraw/zinc/84/71/28/708847128.db2.gz MNCIPYHHMWJSHF-JTQLQIEISA-N 1 1 308.260 1.038 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887924530 709164770 /nfs/dbraw/zinc/16/47/70/709164770.db2.gz OSNCCZIYIKOEGD-INWMFGNUSA-N 1 1 319.361 1.038 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103544 713131754 /nfs/dbraw/zinc/13/17/54/713131754.db2.gz RGHPDJVSVAXOQP-KBPBESRZSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103544 713131755 /nfs/dbraw/zinc/13/17/55/713131755.db2.gz RGHPDJVSVAXOQP-KBPBESRZSA-N 1 1 321.402 1.904 20 5 DDBDMO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000890881784 710019430 /nfs/dbraw/zinc/01/94/30/710019430.db2.gz IKJPOUGPFBNDBU-UHFFFAOYSA-N 1 1 309.366 1.960 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000891572209 710238605 /nfs/dbraw/zinc/23/86/05/710238605.db2.gz RLTGVEJXPWKFAX-ZDUSSCGKSA-N 1 1 324.381 1.767 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892730836 710489306 /nfs/dbraw/zinc/48/93/06/710489306.db2.gz KBINOXDTZGLVPR-SNVBAGLBSA-N 1 1 305.338 1.909 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913285496 713191772 /nfs/dbraw/zinc/19/17/72/713191772.db2.gz YFLHFAKEXCOMIP-GASCZTMLSA-N 1 1 304.350 1.404 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000928440062 713197013 /nfs/dbraw/zinc/19/70/13/713197013.db2.gz AMGROLIEJPFZIE-NOZJJQNGSA-N 1 1 311.769 2.000 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000928450120 713202264 /nfs/dbraw/zinc/20/22/64/713202264.db2.gz SHNDEZSYVZZIEP-BXKDBHETSA-N 1 1 321.333 1.188 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000893743758 710803359 /nfs/dbraw/zinc/80/33/59/710803359.db2.gz IOQHOZZKSVJOSO-AWEZNQCLSA-N 1 1 315.377 1.691 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000893941813 710894823 /nfs/dbraw/zinc/89/48/23/710894823.db2.gz WWXPVMKHDVDUOZ-JQWIXIFHSA-N 1 1 320.349 1.307 20 5 DDBDMO [NH3+]CC1([C@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000903813192 711288713 /nfs/dbraw/zinc/28/87/13/711288713.db2.gz YOGVGNFOWXDUAV-CQSZACIVSA-N 1 1 307.398 1.775 20 5 DDBDMO C[N@@H+](CCO)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000895240943 711462218 /nfs/dbraw/zinc/46/22/18/711462218.db2.gz PLDUGUWGYGSOBH-UHFFFAOYSA-N 1 1 308.313 1.040 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895254581 711467983 /nfs/dbraw/zinc/46/79/83/711467983.db2.gz VMKISRIHMKCXDI-UHFFFAOYSA-N 1 1 308.338 1.159 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895254581 711467985 /nfs/dbraw/zinc/46/79/85/711467985.db2.gz VMKISRIHMKCXDI-UHFFFAOYSA-N 1 1 308.338 1.159 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000895703734 711583010 /nfs/dbraw/zinc/58/30/10/711583010.db2.gz ONLYQPWFAWEBAX-IYCSXQJISA-N 1 1 320.345 1.608 20 5 DDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896570055 711755142 /nfs/dbraw/zinc/75/51/42/711755142.db2.gz XCFKTFONGULAJX-HZMBPMFUSA-N 1 1 324.356 1.098 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CNOC2)ccc1N1CCCCC1 ZINC000904424121 711856231 /nfs/dbraw/zinc/85/62/31/711856231.db2.gz MULPJRQIEVQZFS-CYBMUJFWSA-N 1 1 306.366 1.578 20 5 DDBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3CNOC3)o2)c([N+](=O)[O-])c1 ZINC000904425817 711856662 /nfs/dbraw/zinc/85/66/62/711856662.db2.gz ZCJLNGMCNSDALI-JTQLQIEISA-N 1 1 319.317 1.856 20 5 DDBDMO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1c1cccc(C(F)(F)F)c1 ZINC000905155669 711954381 /nfs/dbraw/zinc/95/43/81/711954381.db2.gz QHHYKGDZYYZPGF-JTQLQIEISA-N 1 1 317.267 1.677 20 5 DDBDMO COCC(COC)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929988949 713730084 /nfs/dbraw/zinc/73/00/84/713730084.db2.gz PAMZKIPXVYTZKU-NSHDSACASA-N 1 1 310.354 1.137 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930441078 713836040 /nfs/dbraw/zinc/83/60/40/713836040.db2.gz QXWKVHMGTLHOKI-YCPHGPKFSA-N 1 1 306.362 1.873 20 5 DDBDMO CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])CC1 ZINC000930468080 713842643 /nfs/dbraw/zinc/84/26/43/713842643.db2.gz WJPBJKLOJCWIRO-CQSZACIVSA-N 1 1 313.398 1.986 20 5 DDBDMO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[N+](=O)[O-])CC1 ZINC000930468080 713842646 /nfs/dbraw/zinc/84/26/46/713842646.db2.gz WJPBJKLOJCWIRO-CQSZACIVSA-N 1 1 313.398 1.986 20 5 DDBDMO CON1CC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000930636366 713883818 /nfs/dbraw/zinc/88/38/18/713883818.db2.gz GAKYIBRVBFDQKW-UKRRQHHQSA-N 1 1 319.361 1.937 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651590 713887735 /nfs/dbraw/zinc/88/77/35/713887735.db2.gz YVXJTMNOYPWJIS-LSDHHAIUSA-N 1 1 303.362 1.909 20 5 DDBDMO Cn1cc(-c2ccnc(C3CC[NH+](CC[N+](=O)[O-])CC3)n2)cn1 ZINC000931089208 713999300 /nfs/dbraw/zinc/99/93/00/713999300.db2.gz RJCVVPFQJUMJDW-UHFFFAOYSA-N 1 1 316.365 1.333 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000932647282 714374596 /nfs/dbraw/zinc/37/45/96/714374596.db2.gz NWCGGTHXNAOPSQ-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000932647282 714374600 /nfs/dbraw/zinc/37/46/00/714374600.db2.gz NWCGGTHXNAOPSQ-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO CCn1cnc2c1CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000933252852 714547677 /nfs/dbraw/zinc/54/76/77/714547677.db2.gz IBCUYMDRFDMBJM-UHFFFAOYSA-N 1 1 304.354 1.374 20 5 DDBDMO CCn1cnc2c1CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000933252852 714547679 /nfs/dbraw/zinc/54/76/79/714547679.db2.gz IBCUYMDRFDMBJM-UHFFFAOYSA-N 1 1 304.354 1.374 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000934832310 714912689 /nfs/dbraw/zinc/91/26/89/714912689.db2.gz AXMPUKYQDCYDRH-KBPBESRZSA-N 1 1 308.382 1.930 20 5 DDBDMO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589309 718844341 /nfs/dbraw/zinc/84/43/41/718844341.db2.gz RESZYICNQIRDSN-LXTVHRRPSA-N 1 1 309.410 1.622 20 5 DDBDMO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589309 718844344 /nfs/dbraw/zinc/84/43/44/718844344.db2.gz RESZYICNQIRDSN-LXTVHRRPSA-N 1 1 309.410 1.622 20 5 DDBDMO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589309 718844346 /nfs/dbraw/zinc/84/43/46/718844346.db2.gz RESZYICNQIRDSN-LXTVHRRPSA-N 1 1 309.410 1.622 20 5 DDBDMO CCC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC001120913541 782230832 /nfs/dbraw/zinc/23/08/32/782230832.db2.gz RMVCOPPSEZGDGI-GFCCVEGCSA-N 1 1 323.397 1.509 20 5 DDBDMO CC(C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)=C1CCCC1 ZINC001125519757 733729943 /nfs/dbraw/zinc/72/99/43/733729943.db2.gz ODVGXCVRHIXWDC-UHFFFAOYSA-N 1 1 321.381 1.425 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(C(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936453 742840574 /nfs/dbraw/zinc/84/05/74/742840574.db2.gz IQSCIKRWZJIVIB-VXGBXAGGSA-N 1 1 313.304 1.495 20 5 DDBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C1CCCC1 ZINC001197798467 747268010 /nfs/dbraw/zinc/26/80/10/747268010.db2.gz MRXIVLYEKUMLCD-CYBMUJFWSA-N 1 1 307.398 1.740 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107232698 749661891 /nfs/dbraw/zinc/66/18/91/749661891.db2.gz GBHNXZNCGKAPSW-PLNGDYQASA-N 1 1 321.381 1.414 20 5 DDBDMO O=C(NCC1([NH2+]C/C=C\Cl)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530741 751045759 /nfs/dbraw/zinc/04/57/59/751045759.db2.gz OMBLSZZFJROUQF-MGNMTHHWSA-N 1 1 315.801 1.813 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@](O)(C(F)(F)F)C2)C1 ZINC001169014421 762178882 /nfs/dbraw/zinc/17/88/82/762178882.db2.gz ZLZOUOGVAZSCLT-VWYCJHECSA-N 1 1 312.288 1.057 20 5 DDBDMO CCn1ncc2c1[C@H](COC)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025072 762202211 /nfs/dbraw/zinc/20/22/11/762202211.db2.gz XNEIHPOAOMUOIM-SNPRPXQTSA-N 1 1 322.409 1.894 20 5 DDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2CC[C@@H]2C1 ZINC001158424206 768224701 /nfs/dbraw/zinc/22/47/01/768224701.db2.gz SIZNAFMFKMHEMZ-ZCFIWIBFSA-N 1 1 304.137 1.586 20 5 DDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2CC[C@@H]2C1 ZINC001158424206 768224705 /nfs/dbraw/zinc/22/47/05/768224705.db2.gz SIZNAFMFKMHEMZ-ZCFIWIBFSA-N 1 1 304.137 1.586 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334411 766256921 /nfs/dbraw/zinc/25/69/21/766256921.db2.gz DGUXSSZQEXHVRR-RBOXIYTFSA-N 1 1 324.377 1.210 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001093674450 774989203 /nfs/dbraw/zinc/98/92/03/774989203.db2.gz XVWYAFLFGJEFCH-UHFFFAOYSA-N 1 1 309.370 1.167 20 5 DDBDMO Cc1ccnc(N(C)CCNC(=O)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001100149752 775735716 /nfs/dbraw/zinc/73/57/16/775735716.db2.gz OXALVMOZLQHFJL-UHFFFAOYSA-N 1 1 323.397 1.191 20 5 DDBDMO C[N@@H+](CC(=O)NCCCNc1ncccc1[N+](=O)[O-])C1CCC1 ZINC001094853295 776502468 /nfs/dbraw/zinc/50/24/68/776502468.db2.gz JFYDPGVKWRPNIP-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO NC(=O)[C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914846 776929334 /nfs/dbraw/zinc/92/93/34/776929334.db2.gz KJMHWUHIHLIMFU-ZIAGYGMSSA-N 1 1 303.362 1.649 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CCOCC2)C1 ZINC001173226007 777061423 /nfs/dbraw/zinc/06/14/23/777061423.db2.gz HANDUNPKAHJSIX-CYBMUJFWSA-N 1 1 305.378 1.542 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101756608 777479145 /nfs/dbraw/zinc/47/91/45/777479145.db2.gz FZBPKXIZNHYDQZ-UHFFFAOYSA-N 1 1 309.370 1.202 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101829475 777575921 /nfs/dbraw/zinc/57/59/21/777575921.db2.gz NHECTEQEHALQAG-UHFFFAOYSA-N 1 1 323.397 1.590 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816077 780904025 /nfs/dbraw/zinc/90/40/25/780904025.db2.gz QNDUSXVZRVVHMI-GXTWGEPZSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816077 780904032 /nfs/dbraw/zinc/90/40/32/780904032.db2.gz QNDUSXVZRVVHMI-GXTWGEPZSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1C ZINC001119403813 781439055 /nfs/dbraw/zinc/43/90/55/781439055.db2.gz NPMWQPVKZJZAHO-OCCSQVGLSA-N 1 1 303.362 1.988 20 5 DDBDMO CN(C(=O)c1cc(C[NH+](C)C)on1)c1ccc([N+](=O)[O-])cc1 ZINC001120354335 781890751 /nfs/dbraw/zinc/89/07/51/781890751.db2.gz WHRPWXIFBLTJSV-UHFFFAOYSA-N 1 1 304.306 1.921 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001326429965 861362457 /nfs/dbraw/zinc/36/24/57/861362457.db2.gz AZUXISFBAVJVBR-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001326429965 861362465 /nfs/dbraw/zinc/36/24/65/861362465.db2.gz AZUXISFBAVJVBR-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](OCCOc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224777296 881529352 /nfs/dbraw/zinc/52/93/52/881529352.db2.gz RGBKRGZQSWYYDY-APHBMKBZSA-N 1 1 320.345 1.794 20 5 DDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(=O)OC)C(C)(C)C1 ZINC001158561102 864728679 /nfs/dbraw/zinc/72/86/79/864728679.db2.gz HVUSGBYZTUDFIV-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO Nc1cc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160724730 866073592 /nfs/dbraw/zinc/07/35/92/866073592.db2.gz MPNNEKLYBHRDQP-NWDGAFQWSA-N 1 1 307.354 1.237 20 5 DDBDMO C[NH+]1CCN(CCCNc2ccc3ncc([N+](=O)[O-])n3c2)CC1 ZINC001161708453 866919794 /nfs/dbraw/zinc/91/97/94/866919794.db2.gz KPDKDRMIRXVNSM-UHFFFAOYSA-N 1 1 318.381 1.292 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC2C[NH+](C(C)(C)C)C2)n1 ZINC001162225053 867358312 /nfs/dbraw/zinc/35/83/12/867358312.db2.gz CCYOQWIALUJSHB-UHFFFAOYSA-N 1 1 322.369 1.546 20 5 DDBDMO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NOCC[NH3+] ZINC001164423912 869187128 /nfs/dbraw/zinc/18/71/28/869187128.db2.gz NFHJWUAKIZSIHT-UHFFFAOYSA-N 1 1 323.740 1.738 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3nc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226364890 882386421 /nfs/dbraw/zinc/38/64/21/882386421.db2.gz VIEQEDHSLGNBCN-XROYCOCOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nc(Cl)ccc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226364890 882386442 /nfs/dbraw/zinc/38/64/42/882386442.db2.gz VIEQEDHSLGNBCN-XROYCOCOSA-N 1 1 311.725 1.826 20 5 DDBDMO COc1cccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001339177416 870387725 /nfs/dbraw/zinc/38/77/25/870387725.db2.gz YXOIZOKHOHPASY-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001339998977 870830450 /nfs/dbraw/zinc/83/04/50/870830450.db2.gz LEMQLKCQLXUNRB-YUSALJHKSA-N 1 1 320.349 1.529 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001308948984 871536522 /nfs/dbraw/zinc/53/65/22/871536522.db2.gz UWLVGWGTOVMINN-RHSMWYFYSA-N 1 1 320.437 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001308948984 871536536 /nfs/dbraw/zinc/53/65/36/871536536.db2.gz UWLVGWGTOVMINN-RHSMWYFYSA-N 1 1 320.437 1.936 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1C ZINC001317912060 871623239 /nfs/dbraw/zinc/62/32/39/871623239.db2.gz RTLMGLZABMIUJT-UHFFFAOYSA-N 1 1 317.349 1.962 20 5 DDBDMO C[N@@H+]1CCO[C@@H](COc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227222197 882916720 /nfs/dbraw/zinc/91/67/20/882916720.db2.gz XRIRPHHZLDNJIV-LLVKDONJSA-N 1 1 319.317 1.558 20 5 DDBDMO C[N@H+]1CCO[C@@H](COc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227222197 882916728 /nfs/dbraw/zinc/91/67/28/882916728.db2.gz XRIRPHHZLDNJIV-LLVKDONJSA-N 1 1 319.317 1.558 20 5 DDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473828257 880991166 /nfs/dbraw/zinc/99/11/66/880991166.db2.gz XPUCTVJJZAWISH-DGCLKSJQSA-N 1 1 311.294 1.397 20 5 DDBDMO CCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763170 884846398 /nfs/dbraw/zinc/84/63/98/884846398.db2.gz SRISCYGWKOBDGW-HUUCEWRRSA-N 1 1 320.393 1.465 20 5 DDBDMO CCC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001230763170 884846413 /nfs/dbraw/zinc/84/64/13/884846413.db2.gz SRISCYGWKOBDGW-HUUCEWRRSA-N 1 1 320.393 1.465 20 5 DDBDMO CCC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001230763170 884846427 /nfs/dbraw/zinc/84/64/27/884846427.db2.gz SRISCYGWKOBDGW-HUUCEWRRSA-N 1 1 320.393 1.465 20 5 DDBDMO CC[C@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001246315700 892535709 /nfs/dbraw/zinc/53/57/09/892535709.db2.gz VHWLCRYFXKFMTR-LBPRGKRZSA-N 1 1 322.409 1.899 20 5 DDBDMO CC[C@@H](N)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001246315698 892536337 /nfs/dbraw/zinc/53/63/37/892536337.db2.gz VHWLCRYFXKFMTR-GFCCVEGCSA-N 1 1 322.409 1.899 20 5 DDBDMO CN1CCN(CC[N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603806 896528337 /nfs/dbraw/zinc/52/83/37/896528337.db2.gz QWQCKQJQQNHMRK-QGZVFWFLSA-N 1 1 318.421 1.241 20 5 DDBDMO CN1CCN(CC[N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603806 896528346 /nfs/dbraw/zinc/52/83/46/896528346.db2.gz QWQCKQJQQNHMRK-QGZVFWFLSA-N 1 1 318.421 1.241 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](CCO)CC2)c2ccccc21 ZINC001262060370 899922850 /nfs/dbraw/zinc/92/28/50/899922850.db2.gz YSMSVFIENOZYHJ-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO O=C(C[NH+]1CCC(CO)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001262609354 900272229 /nfs/dbraw/zinc/27/22/29/900272229.db2.gz LDMFZTTWJHRXKR-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209185 529442238 /nfs/dbraw/zinc/44/22/38/529442238.db2.gz APFPIHFKAFOCKW-WFASDCNBSA-N 1 1 310.350 1.181 20 5 DDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358133232 299085298 /nfs/dbraw/zinc/08/52/98/299085298.db2.gz PZYMWISOBPTRID-NSHDSACASA-N 1 1 311.386 1.371 20 5 DDBDMO C[N@@H+](CCCCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457168358 529882964 /nfs/dbraw/zinc/88/29/64/529882964.db2.gz DSRZEYJSQPAFLW-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000457175416 529883418 /nfs/dbraw/zinc/88/34/18/529883418.db2.gz XWJJOYGPKCYKDJ-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000103062307 185430800 /nfs/dbraw/zinc/43/08/00/185430800.db2.gz KMGOAFGADSZRQI-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299354234 530057303 /nfs/dbraw/zinc/05/73/03/530057303.db2.gz AOZNWOHJBHBWPG-SNVBAGLBSA-N 1 1 311.313 1.323 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000616136137 362557713 /nfs/dbraw/zinc/55/77/13/362557713.db2.gz KYQAKZOMJBIPEK-UHFFFAOYSA-N 1 1 306.318 1.909 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000616136137 362557716 /nfs/dbraw/zinc/55/77/16/362557716.db2.gz KYQAKZOMJBIPEK-UHFFFAOYSA-N 1 1 306.318 1.909 20 5 DDBDMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612910 210014784 /nfs/dbraw/zinc/01/47/84/210014784.db2.gz ZPOUCBKJMFAFRX-PWSUYJOCSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612910 210014788 /nfs/dbraw/zinc/01/47/88/210014788.db2.gz ZPOUCBKJMFAFRX-PWSUYJOCSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000026711245 352210803 /nfs/dbraw/zinc/21/08/03/352210803.db2.gz RNABSOVOMPQBII-BZPMIXESSA-N 1 1 310.350 1.444 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCn3cccn3)C2)nc1 ZINC000072665273 191211464 /nfs/dbraw/zinc/21/14/64/191211464.db2.gz PRXSNYSNMXZKBT-GFCCVEGCSA-N 1 1 302.338 1.373 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000058274231 352841221 /nfs/dbraw/zinc/84/12/21/352841221.db2.gz SIHCLXMCGFJCCX-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO CC(C)[C@@H](CNc1ccncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000064620260 352940544 /nfs/dbraw/zinc/94/05/44/352940544.db2.gz ZFZJIULWDLHROF-CQSZACIVSA-N 1 1 307.398 1.674 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000069137814 353147442 /nfs/dbraw/zinc/14/74/42/353147442.db2.gz VXMYXAHCMPQJNL-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829658 353218592 /nfs/dbraw/zinc/21/85/92/353218592.db2.gz CSMAPWHZDNIVAB-MRXNPFEDSA-N 1 1 319.361 1.576 20 5 DDBDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656068 198366609 /nfs/dbraw/zinc/36/66/09/198366609.db2.gz GUFHNYOGXLDHRP-CYBMUJFWSA-N 1 1 324.768 1.938 20 5 DDBDMO Cc1sc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833369 354222417 /nfs/dbraw/zinc/22/24/17/354222417.db2.gz WIAREDSNPPBDEK-GZMMTYOYSA-N 1 1 313.379 1.414 20 5 DDBDMO Cc1sc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833369 354222423 /nfs/dbraw/zinc/22/24/23/354222423.db2.gz WIAREDSNPPBDEK-GZMMTYOYSA-N 1 1 313.379 1.414 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423077 354225272 /nfs/dbraw/zinc/22/52/72/354225272.db2.gz QHMBDNCOKOSXEB-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423077 354225276 /nfs/dbraw/zinc/22/52/76/354225276.db2.gz QHMBDNCOKOSXEB-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000323787884 354541747 /nfs/dbraw/zinc/54/17/47/354541747.db2.gz CKJYBQODNNIXBW-QWHCGFSZSA-N 1 1 319.361 1.769 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000319518173 354521631 /nfs/dbraw/zinc/52/16/31/354521631.db2.gz JGLLNJUTMKWCOV-CYBMUJFWSA-N 1 1 305.338 1.166 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1C ZINC000320040905 354524601 /nfs/dbraw/zinc/52/46/01/354524601.db2.gz CNRKKNFNISJMAG-GFCCVEGCSA-N 1 1 308.382 1.570 20 5 DDBDMO COc1ccc(C[N@@H+]2CCC[C@](CO)(OC)C2)cc1[N+](=O)[O-] ZINC000401782127 354667142 /nfs/dbraw/zinc/66/71/42/354667142.db2.gz QVPHZXVFRPZQFM-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@](CO)(OC)C2)cc1[N+](=O)[O-] ZINC000401782127 354667143 /nfs/dbraw/zinc/66/71/43/354667143.db2.gz QVPHZXVFRPZQFM-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000587974347 354888003 /nfs/dbraw/zinc/88/80/03/354888003.db2.gz XQNLRKCFLKJRFU-SNVBAGLBSA-N 1 1 308.338 1.225 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000587974347 354888005 /nfs/dbraw/zinc/88/80/05/354888005.db2.gz XQNLRKCFLKJRFU-SNVBAGLBSA-N 1 1 308.338 1.225 20 5 DDBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000589500108 354996726 /nfs/dbraw/zinc/99/67/26/354996726.db2.gz XFFWMYGEGFLHOR-UHFFFAOYSA-N 1 1 310.350 1.974 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000590444720 355098197 /nfs/dbraw/zinc/09/81/97/355098197.db2.gz KEKZHHWPPQVFME-BONVTDFDSA-N 1 1 314.345 1.852 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061324 355783697 /nfs/dbraw/zinc/78/36/97/355783697.db2.gz IOOPWKWXSNSPQH-MELADBBJSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061324 355783698 /nfs/dbraw/zinc/78/36/98/355783698.db2.gz IOOPWKWXSNSPQH-MELADBBJSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593108101 355800903 /nfs/dbraw/zinc/80/09/03/355800903.db2.gz MZZHQWYAIUEPIB-LLVKDONJSA-N 1 1 323.349 1.596 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593186968 355819879 /nfs/dbraw/zinc/81/98/79/355819879.db2.gz BMIJCOFGDXPBLU-UPJWGTAASA-N 1 1 321.377 1.913 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593187543 355820104 /nfs/dbraw/zinc/82/01/04/355820104.db2.gz LQYORTDHMSBWMH-JHJVBQTASA-N 1 1 321.377 1.913 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C1 ZINC000593338992 355857573 /nfs/dbraw/zinc/85/75/73/355857573.db2.gz MEFBOCYIBFVVEA-UHFFFAOYSA-N 1 1 311.338 1.371 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C1 ZINC000593338992 355857578 /nfs/dbraw/zinc/85/75/78/355857578.db2.gz MEFBOCYIBFVVEA-UHFFFAOYSA-N 1 1 311.338 1.371 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000593731626 355978933 /nfs/dbraw/zinc/97/89/33/355978933.db2.gz FQDGPWCLFZFIJT-PHIMTYICSA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1(=O)=O ZINC000594976964 356366398 /nfs/dbraw/zinc/36/63/98/356366398.db2.gz RGECIYWDELVJQY-KOLCDFICSA-N 1 1 316.354 1.789 20 5 DDBDMO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000595102947 356382619 /nfs/dbraw/zinc/38/26/19/356382619.db2.gz KSLSSVLEDBGOJJ-CYBMUJFWSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679068 356607092 /nfs/dbraw/zinc/60/70/92/356607092.db2.gz UTICLVPURXOESR-JSGCOSHPSA-N 1 1 309.366 1.239 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835872 356671401 /nfs/dbraw/zinc/67/14/01/356671401.db2.gz WKBHXUJLEKVTOH-JHJVBQTASA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835872 356671402 /nfs/dbraw/zinc/67/14/02/356671402.db2.gz WKBHXUJLEKVTOH-JHJVBQTASA-N 1 1 319.361 1.890 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828152 356666748 /nfs/dbraw/zinc/66/67/48/356666748.db2.gz UVRPHTWSXSOHRE-OLZOCXBDSA-N 1 1 319.361 1.892 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595869415 356686103 /nfs/dbraw/zinc/68/61/03/356686103.db2.gz CWGFIAOHWNAVAQ-XHBSWPGZSA-N 1 1 321.377 1.872 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596110549 356775234 /nfs/dbraw/zinc/77/52/34/356775234.db2.gz OXHSCCJOCOIMOL-SNVBAGLBSA-N 1 1 314.773 1.588 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207349 356814385 /nfs/dbraw/zinc/81/43/85/356814385.db2.gz DGYLAORCNIALFP-NSHDSACASA-N 1 1 310.354 1.608 20 5 DDBDMO Cc1cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596538617 356911040 /nfs/dbraw/zinc/91/10/40/356911040.db2.gz MVFIBNKFMPAREO-ZDUSSCGKSA-N 1 1 306.366 1.334 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000597858480 357361510 /nfs/dbraw/zinc/36/15/10/357361510.db2.gz LZKQSOBDPCJBGC-GFCCVEGCSA-N 1 1 321.377 1.963 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597925917 357385356 /nfs/dbraw/zinc/38/53/56/357385356.db2.gz YEQHDPLILCGKNW-SNVBAGLBSA-N 1 1 308.338 1.298 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598588080 357642171 /nfs/dbraw/zinc/64/21/71/357642171.db2.gz YWWYDNQTDWJAFD-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000598563067 357634393 /nfs/dbraw/zinc/63/43/93/357634393.db2.gz ZXLLAWLYSUKOFZ-GFCCVEGCSA-N 1 1 321.381 1.180 20 5 DDBDMO NC(=O)NC(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179521605 283301463 /nfs/dbraw/zinc/30/14/63/283301463.db2.gz HWOAWTKQBOBLHJ-UHFFFAOYSA-N 1 1 320.349 1.534 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c2c(c1)COCO2 ZINC000599680513 358022632 /nfs/dbraw/zinc/02/26/32/358022632.db2.gz DMAGHPZHXICSHS-COLVAYQJSA-N 1 1 320.345 1.807 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600310387 358192060 /nfs/dbraw/zinc/19/20/60/358192060.db2.gz IOJHNJWVRZFUPI-LLVKDONJSA-N 1 1 309.370 1.098 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000600315272 358194218 /nfs/dbraw/zinc/19/42/18/358194218.db2.gz QVWDRXAJJYEMJL-NSHDSACASA-N 1 1 309.370 1.273 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298729424 283367953 /nfs/dbraw/zinc/36/79/53/283367953.db2.gz SEKVNJQCBGUXCF-NEPJUHHUSA-N 1 1 305.338 1.127 20 5 DDBDMO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CCC[N@@H+](C)C1 ZINC000601119850 358409891 /nfs/dbraw/zinc/40/98/91/358409891.db2.gz XQYMOFLRNWMYCT-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H](CO)[C@H](CO)C3)c2c1 ZINC000601200453 358445287 /nfs/dbraw/zinc/44/52/87/358445287.db2.gz ATZQEERHMLKPEM-QWRGUYRKSA-N 1 1 303.318 1.180 20 5 DDBDMO C[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000601130822 358415658 /nfs/dbraw/zinc/41/56/58/358415658.db2.gz CHCBZVWZOUYXHE-MEDUHNTESA-N 1 1 316.361 1.696 20 5 DDBDMO C[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000601130822 358415663 /nfs/dbraw/zinc/41/56/63/358415663.db2.gz CHCBZVWZOUYXHE-MEDUHNTESA-N 1 1 316.361 1.696 20 5 DDBDMO O=C1CC[C@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CCN12 ZINC000601136732 358416792 /nfs/dbraw/zinc/41/67/92/358416792.db2.gz WNCDJDQERPKUDS-LBPRGKRZSA-N 1 1 312.329 1.954 20 5 DDBDMO CNC(=O)[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601175950 358433917 /nfs/dbraw/zinc/43/39/17/358433917.db2.gz RWGQYNULBCXKCP-SNVBAGLBSA-N 1 1 300.318 1.715 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000601540526 358594138 /nfs/dbraw/zinc/59/41/38/358594138.db2.gz TWYFOMHWZFQZIV-UHFFFAOYSA-N 1 1 319.296 1.419 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601774748 358690043 /nfs/dbraw/zinc/69/00/43/358690043.db2.gz DJZOKPUHORONQY-DJSGYFEHSA-N 1 1 321.377 1.259 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777815 358691412 /nfs/dbraw/zinc/69/14/12/358691412.db2.gz LMZMPZYIYWHGGL-HIFRSBDPSA-N 1 1 307.350 1.013 20 5 DDBDMO CN(CC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602477832 359004677 /nfs/dbraw/zinc/00/46/77/359004677.db2.gz XINGUZQRNYEQSZ-UHFFFAOYSA-N 1 1 303.366 1.897 20 5 DDBDMO CN(CC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602477832 359004681 /nfs/dbraw/zinc/00/46/81/359004681.db2.gz XINGUZQRNYEQSZ-UHFFFAOYSA-N 1 1 303.366 1.897 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681234 359121488 /nfs/dbraw/zinc/12/14/88/359121488.db2.gz MWKSYFYJSHXJTO-VXNVDRBHSA-N 1 1 308.260 1.073 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681234 359121492 /nfs/dbraw/zinc/12/14/92/359121492.db2.gz MWKSYFYJSHXJTO-VXNVDRBHSA-N 1 1 308.260 1.073 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767113 359177011 /nfs/dbraw/zinc/17/70/11/359177011.db2.gz VZCKVANTSDTRQW-ZDUSSCGKSA-N 1 1 323.397 1.338 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000602801072 359201173 /nfs/dbraw/zinc/20/11/73/359201173.db2.gz LFFDODLLVLXTAS-OLZOCXBDSA-N 1 1 310.398 1.829 20 5 DDBDMO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccn1 ZINC000602825482 359220171 /nfs/dbraw/zinc/22/01/71/359220171.db2.gz BMUFKLWNZQSUCV-UHFFFAOYSA-N 1 1 319.365 1.643 20 5 DDBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccn1 ZINC000602825482 359220177 /nfs/dbraw/zinc/22/01/77/359220177.db2.gz BMUFKLWNZQSUCV-UHFFFAOYSA-N 1 1 319.365 1.643 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602959329 359323051 /nfs/dbraw/zinc/32/30/51/359323051.db2.gz SUJPMPJAUBQYMH-VXGBXAGGSA-N 1 1 321.381 1.667 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ncc([N+](=O)[O-])cn1 ZINC000603399575 359616709 /nfs/dbraw/zinc/61/67/09/359616709.db2.gz GSKAOSFFXWHWIP-UHFFFAOYSA-N 1 1 316.365 1.738 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189406241 200396089 /nfs/dbraw/zinc/39/60/89/200396089.db2.gz QIEIOELOTMEHPY-ZDUSSCGKSA-N 1 1 307.394 1.872 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000609283850 360286519 /nfs/dbraw/zinc/28/65/19/360286519.db2.gz FREMKTLZMUTXFV-UKRRQHHQSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609450186 360307938 /nfs/dbraw/zinc/30/79/38/360307938.db2.gz HFCHPKKWYYBAGU-NSHDSACASA-N 1 1 318.377 1.945 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609450186 360307941 /nfs/dbraw/zinc/30/79/41/360307941.db2.gz HFCHPKKWYYBAGU-NSHDSACASA-N 1 1 318.377 1.945 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571064 360326228 /nfs/dbraw/zinc/32/62/28/360326228.db2.gz MPRYIBUDMAUPJL-LBPRGKRZSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH+]1CCC(N2CC[C@H](Nc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609571064 360326232 /nfs/dbraw/zinc/32/62/32/360326232.db2.gz MPRYIBUDMAUPJL-LBPRGKRZSA-N 1 1 305.382 1.570 20 5 DDBDMO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCC[N@@H+](C)C1 ZINC000610187912 360389517 /nfs/dbraw/zinc/38/95/17/360389517.db2.gz XBMCJZUORWAQMV-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000610654056 360492643 /nfs/dbraw/zinc/49/26/43/360492643.db2.gz GVVMHBIWPJJXLJ-MNOVXSKESA-N 1 1 321.381 1.268 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000611166003 360642582 /nfs/dbraw/zinc/64/25/82/360642582.db2.gz VWDDRDNFQUXWOG-UHFFFAOYSA-N 1 1 321.377 1.052 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611088490 360619579 /nfs/dbraw/zinc/61/95/79/360619579.db2.gz ZGJLAAPFXSAASL-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611088490 360619585 /nfs/dbraw/zinc/61/95/85/360619585.db2.gz ZGJLAAPFXSAASL-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611100473 360623070 /nfs/dbraw/zinc/62/30/70/360623070.db2.gz GLFCHJPYLPDAFV-NSHDSACASA-N 1 1 320.349 1.086 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611100473 360623080 /nfs/dbraw/zinc/62/30/80/360623080.db2.gz GLFCHJPYLPDAFV-NSHDSACASA-N 1 1 320.349 1.086 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000611104209 360624276 /nfs/dbraw/zinc/62/42/76/360624276.db2.gz NFWQKBISIRSGSA-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000611349075 360703330 /nfs/dbraw/zinc/70/33/30/360703330.db2.gz VFWVWZNAQOYFHO-CQSZACIVSA-N 1 1 309.341 1.640 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528148 360749151 /nfs/dbraw/zinc/74/91/51/360749151.db2.gz HSKNWXBCPKTFMS-LLVKDONJSA-N 1 1 322.365 1.018 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611556116 360759221 /nfs/dbraw/zinc/75/92/21/360759221.db2.gz IEUMILWRLSRWIU-LBPRGKRZSA-N 1 1 323.349 1.141 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611556116 360759226 /nfs/dbraw/zinc/75/92/26/360759226.db2.gz IEUMILWRLSRWIU-LBPRGKRZSA-N 1 1 323.349 1.141 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000612110346 360922964 /nfs/dbraw/zinc/92/29/64/360922964.db2.gz DLVXILPDBGJFGS-WDEREUQCSA-N 1 1 316.304 1.922 20 5 DDBDMO COc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440430 364009938 /nfs/dbraw/zinc/00/99/38/364009938.db2.gz GRFLTXONQVHRKC-GWCFXTLKSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440430 364009942 /nfs/dbraw/zinc/00/99/42/364009942.db2.gz GRFLTXONQVHRKC-GWCFXTLKSA-N 1 1 323.349 1.052 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000275487481 212367088 /nfs/dbraw/zinc/36/70/88/212367088.db2.gz PFAXJPDBKVLGFW-AWEZNQCLSA-N 1 1 321.377 1.650 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000275487481 212367089 /nfs/dbraw/zinc/36/70/89/212367089.db2.gz PFAXJPDBKVLGFW-AWEZNQCLSA-N 1 1 321.377 1.650 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000266419209 205332814 /nfs/dbraw/zinc/33/28/14/205332814.db2.gz IKDZKBBSJWMWAF-ZBFHGGJFSA-N 1 1 316.361 1.772 20 5 DDBDMO C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000023991025 182371539 /nfs/dbraw/zinc/37/15/39/182371539.db2.gz BGVPZYUGARUIBC-UHFFFAOYSA-N 1 1 312.757 1.434 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566970901 304190633 /nfs/dbraw/zinc/19/06/33/304190633.db2.gz FTBPAXBKLFNIOO-UKRRQHHQSA-N 1 1 321.377 1.648 20 5 DDBDMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283884244 217796746 /nfs/dbraw/zinc/79/67/46/217796746.db2.gz CFNAEXQJGOIBRD-LBPRGKRZSA-N 1 1 322.409 1.938 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104747414 194034097 /nfs/dbraw/zinc/03/40/97/194034097.db2.gz UXYNTEYXEOSPTL-LLVKDONJSA-N 1 1 313.379 1.167 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106384470 194203918 /nfs/dbraw/zinc/20/39/18/194203918.db2.gz LEUUGHXPFCNKDJ-AWEZNQCLSA-N 1 1 307.350 1.124 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285326943 218383104 /nfs/dbraw/zinc/38/31/04/218383104.db2.gz RWOZACUMANJVNN-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000109627640 194278824 /nfs/dbraw/zinc/27/88/24/194278824.db2.gz CEFPXMCMPQNQFO-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000109992238 194302668 /nfs/dbraw/zinc/30/26/68/194302668.db2.gz YGICHSORFYNEOZ-SNVBAGLBSA-N 1 1 323.349 1.294 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938472 251290513 /nfs/dbraw/zinc/29/05/13/251290513.db2.gz WHOZVUHOZSRWBW-JOYOIKCWSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938472 251290518 /nfs/dbraw/zinc/29/05/18/251290518.db2.gz WHOZVUHOZSRWBW-JOYOIKCWSA-N 1 1 304.306 1.600 20 5 DDBDMO COCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430223593 532966736 /nfs/dbraw/zinc/96/67/36/532966736.db2.gz XTJDSNGCTXMBIO-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000424105035 533092794 /nfs/dbraw/zinc/09/27/94/533092794.db2.gz IMVAZYNEWOVCAV-UHFFFAOYSA-N 1 1 310.354 1.106 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659459 285203830 /nfs/dbraw/zinc/20/38/30/285203830.db2.gz JQPMKXHCGYSHGD-SWHYSGLUSA-N 1 1 307.350 1.767 20 5 DDBDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156338795 197105350 /nfs/dbraw/zinc/10/53/50/197105350.db2.gz PIKKIWQMXUIJEW-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156338795 197105351 /nfs/dbraw/zinc/10/53/51/197105351.db2.gz PIKKIWQMXUIJEW-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](O)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000156328587 197104488 /nfs/dbraw/zinc/10/44/88/197104488.db2.gz OXNUTDWMENWLEY-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](O)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000156328587 197104489 /nfs/dbraw/zinc/10/44/89/197104489.db2.gz OXNUTDWMENWLEY-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C[C@@H](C)O ZINC000289772951 221215407 /nfs/dbraw/zinc/21/54/07/221215407.db2.gz LKEMCJFDVSCCDO-GFCCVEGCSA-N 1 1 312.366 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C[C@@H](C)O ZINC000289772951 221215409 /nfs/dbraw/zinc/21/54/09/221215409.db2.gz LKEMCJFDVSCCDO-GFCCVEGCSA-N 1 1 312.366 1.557 20 5 DDBDMO O=C1NCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000295030204 224391134 /nfs/dbraw/zinc/39/11/34/224391134.db2.gz LNNCZWULEDRILV-JTQLQIEISA-N 1 1 315.276 1.564 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330915845 533603541 /nfs/dbraw/zinc/60/35/41/533603541.db2.gz URUDUWLRVLFSNW-NEPJUHHUSA-N 1 1 306.366 1.606 20 5 DDBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000568856994 304315946 /nfs/dbraw/zinc/31/59/46/304315946.db2.gz JDIAPHCBGGXWIN-GFCCVEGCSA-N 1 1 313.304 1.511 20 5 DDBDMO Cc1ccnc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000569739210 304376220 /nfs/dbraw/zinc/37/62/20/304376220.db2.gz LHQSCHXQXSSHPZ-ZDUSSCGKSA-N 1 1 301.350 1.984 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CNc1ccccc1[N+](=O)[O-])C2 ZINC000073992363 406899538 /nfs/dbraw/zinc/89/95/38/406899538.db2.gz FSLITHSRTDWSPD-QWHCGFSZSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000068084339 407294535 /nfs/dbraw/zinc/29/45/35/407294535.db2.gz STEKDNZZAHAXKO-NEPJUHHUSA-N 1 1 309.370 1.028 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000107894248 407381129 /nfs/dbraw/zinc/38/11/29/407381129.db2.gz BDRMFZCXPUSGFH-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO O=C(CC[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000111319339 407407479 /nfs/dbraw/zinc/40/74/79/407407479.db2.gz PNRBYEPIAVRGDN-FUNVUKJBSA-N 1 1 319.361 1.911 20 5 DDBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000126328553 407410680 /nfs/dbraw/zinc/41/06/80/407410680.db2.gz MRKAKARDLYILJQ-WDEREUQCSA-N 1 1 307.354 1.405 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112364059 407427692 /nfs/dbraw/zinc/42/76/92/407427692.db2.gz VIUUMVXFHZZCTI-UHFFFAOYSA-N 1 1 315.395 1.605 20 5 DDBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000113257610 407481142 /nfs/dbraw/zinc/48/11/42/407481142.db2.gz KXEYFDPZQHLKTI-VXGBXAGGSA-N 1 1 314.407 1.891 20 5 DDBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000113257610 407481147 /nfs/dbraw/zinc/48/11/47/407481147.db2.gz KXEYFDPZQHLKTI-VXGBXAGGSA-N 1 1 314.407 1.891 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000171062722 407584187 /nfs/dbraw/zinc/58/41/87/407584187.db2.gz QZJOFKZFTHZQKH-GFCCVEGCSA-N 1 1 321.333 1.079 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000171062722 407584193 /nfs/dbraw/zinc/58/41/93/407584193.db2.gz QZJOFKZFTHZQKH-GFCCVEGCSA-N 1 1 321.333 1.079 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000261718221 407589168 /nfs/dbraw/zinc/58/91/68/407589168.db2.gz KYFGEWIISAVGNM-ZDUSSCGKSA-N 1 1 315.333 1.115 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262034280 407719924 /nfs/dbraw/zinc/71/99/24/407719924.db2.gz SRTSVAJICJNNOC-CYBMUJFWSA-N 1 1 301.306 1.105 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CCO)c1ccccc1 ZINC000267043198 407727254 /nfs/dbraw/zinc/72/72/54/407727254.db2.gz DMIYLMLUYPJDOX-AWEZNQCLSA-N 1 1 304.350 1.847 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186726374 407758864 /nfs/dbraw/zinc/75/88/64/407758864.db2.gz HXBOZKPDGGJZCE-UHFFFAOYSA-N 1 1 320.393 1.827 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000245854044 408080806 /nfs/dbraw/zinc/08/08/06/408080806.db2.gz DHDIXYGCFMVVKX-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000150103523 408193356 /nfs/dbraw/zinc/19/33/56/408193356.db2.gz SOJYVZZJYDSPMG-UHFFFAOYSA-N 1 1 306.366 1.243 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190345699 408225060 /nfs/dbraw/zinc/22/50/60/408225060.db2.gz QPTVSRPXTLNHJM-YGRLFVJLSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190345699 408225061 /nfs/dbraw/zinc/22/50/61/408225061.db2.gz QPTVSRPXTLNHJM-YGRLFVJLSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190365696 408228809 /nfs/dbraw/zinc/22/88/09/408228809.db2.gz IXZDEASTPPHPHQ-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO Cn1cc[nH+]c1Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000132289223 162033844 /nfs/dbraw/zinc/03/38/44/162033844.db2.gz GOQPPAMRJHBMRG-UHFFFAOYSA-N 1 1 301.262 1.193 20 5 DDBDMO CCOCC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173657314 162352793 /nfs/dbraw/zinc/35/27/93/162352793.db2.gz KPBFWPWMOHZGJW-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247369727 408459319 /nfs/dbraw/zinc/45/93/19/408459319.db2.gz KRXSLTVHWKYVIE-QWHCGFSZSA-N 1 1 321.377 1.772 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177033686 408503198 /nfs/dbraw/zinc/50/31/98/408503198.db2.gz SMCLSNVZAAOGAC-VXGBXAGGSA-N 1 1 318.377 1.748 20 5 DDBDMO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000247392448 408462930 /nfs/dbraw/zinc/46/29/30/408462930.db2.gz XGLYJJYLFLZQPJ-ZFWWWQNUSA-N 1 1 307.394 1.872 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000161297884 408584020 /nfs/dbraw/zinc/58/40/20/408584020.db2.gz DGQAWKPSBNGHOA-JQWIXIFHSA-N 1 1 306.366 1.636 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161403914 408600659 /nfs/dbraw/zinc/60/06/59/408600659.db2.gz MIJYZYZAUUQHTQ-ONGXEEELSA-N 1 1 309.370 1.095 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000270872993 408719203 /nfs/dbraw/zinc/71/92/03/408719203.db2.gz JLEMJKCGSARHGN-CYBMUJFWSA-N 1 1 319.361 1.670 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177842800 408728648 /nfs/dbraw/zinc/72/86/48/408728648.db2.gz QBSBOWGDUCLFAG-SWLSCSKDSA-N 1 1 321.377 1.801 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177842800 408728654 /nfs/dbraw/zinc/72/86/54/408728654.db2.gz QBSBOWGDUCLFAG-SWLSCSKDSA-N 1 1 321.377 1.801 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249536715 408738359 /nfs/dbraw/zinc/73/83/59/408738359.db2.gz CQJOBKLCANJOJP-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(O)C1 ZINC000177980402 408750107 /nfs/dbraw/zinc/75/01/07/408750107.db2.gz IDWPOWZMNKULKY-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290839172 408841246 /nfs/dbraw/zinc/84/12/46/408841246.db2.gz VQPLXSDNOHAHHA-GXSJLCMTSA-N 1 1 304.350 1.731 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285767960 408860191 /nfs/dbraw/zinc/86/01/91/408860191.db2.gz ZWVCYQSYRKDWIE-LLVKDONJSA-N 1 1 322.287 1.571 20 5 DDBDMO COC(=O)c1cnc(N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000276636018 408894152 /nfs/dbraw/zinc/89/41/52/408894152.db2.gz WXRYMTRYMAPWQD-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291749675 408916603 /nfs/dbraw/zinc/91/66/03/408916603.db2.gz KLEZNGPASRVKMM-WCQYABFASA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291749675 408916606 /nfs/dbraw/zinc/91/66/06/408916606.db2.gz KLEZNGPASRVKMM-WCQYABFASA-N 1 1 316.304 1.578 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190860858 163162295 /nfs/dbraw/zinc/16/22/95/163162295.db2.gz XNAXAFUMIYSNRX-NEPJUHHUSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190860858 163162296 /nfs/dbraw/zinc/16/22/96/163162296.db2.gz XNAXAFUMIYSNRX-NEPJUHHUSA-N 1 1 307.350 1.402 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000287726290 409083315 /nfs/dbraw/zinc/08/33/15/409083315.db2.gz KJHLIVVVWZCAFS-HNNXBMFYSA-N 1 1 317.349 1.477 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000321723613 164045340 /nfs/dbraw/zinc/04/53/40/164045340.db2.gz ZXTUUSQAZQLYMG-CHWSQXEVSA-N 1 1 318.377 1.993 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331536068 409611034 /nfs/dbraw/zinc/61/10/34/409611034.db2.gz PWWSKSKGHUIPHR-JTQLQIEISA-N 1 1 305.334 1.570 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(c3nc(C)cc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734768 410033344 /nfs/dbraw/zinc/03/33/44/410033344.db2.gz SZHZXKIUGRLADI-UONOGXRCSA-N 1 1 320.393 1.906 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354664320 410003073 /nfs/dbraw/zinc/00/30/73/410003073.db2.gz QLWMGJWPHVGUCC-NXEZZACHSA-N 1 1 309.370 1.619 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332351229 410086686 /nfs/dbraw/zinc/08/66/86/410086686.db2.gz PJTGIVKPGZMIMR-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332351229 410086692 /nfs/dbraw/zinc/08/66/92/410086692.db2.gz PJTGIVKPGZMIMR-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CCO)CC1 ZINC000357643743 410157263 /nfs/dbraw/zinc/15/72/63/410157263.db2.gz BIFQVUKBLQGNKA-UHFFFAOYSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351774895 410225177 /nfs/dbraw/zinc/22/51/77/410225177.db2.gz PGFPHEDEWSVUPT-MFKMUULPSA-N 1 1 321.333 1.205 20 5 DDBDMO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH+]1C ZINC000343482767 410486180 /nfs/dbraw/zinc/48/61/80/410486180.db2.gz VVKWNKJSUZFKKC-QWRGUYRKSA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343427198 410440862 /nfs/dbraw/zinc/44/08/62/410440862.db2.gz DQVDDGJGHLUTHY-ZYHUDNBSSA-N 1 1 309.370 1.125 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079969 410511712 /nfs/dbraw/zinc/51/17/12/410511712.db2.gz HAPSXFFRIPEXDP-GHMZBOCLSA-N 1 1 321.381 1.621 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000330492131 410725167 /nfs/dbraw/zinc/72/51/67/410725167.db2.gz PEFMTWDGYOOPNH-UHFFFAOYSA-N 1 1 311.338 1.107 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000301530277 410739244 /nfs/dbraw/zinc/73/92/44/410739244.db2.gz KWBFAPNDMVVBMY-STQMWFEESA-N 1 1 306.366 1.415 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[N@@H+](C)C1 ZINC000330515443 410743519 /nfs/dbraw/zinc/74/35/19/410743519.db2.gz FKGTWVYANKUJCM-STQMWFEESA-N 1 1 322.365 1.089 20 5 DDBDMO CC[C@]1(C)COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762176 410677281 /nfs/dbraw/zinc/67/72/81/410677281.db2.gz KUQLDNKEIYNLCT-CZUORRHYSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762176 410677290 /nfs/dbraw/zinc/67/72/90/410677290.db2.gz KUQLDNKEIYNLCT-CZUORRHYSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1ccc([C@@H](CCO)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341229084 410953933 /nfs/dbraw/zinc/95/39/33/410953933.db2.gz OIZKZJSQXCNCGB-CYBMUJFWSA-N 1 1 320.349 1.550 20 5 DDBDMO NC(=O)c1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341722580 411052841 /nfs/dbraw/zinc/05/28/41/411052841.db2.gz OLOKNUXTFQUVRJ-GHMZBOCLSA-N 1 1 304.350 1.732 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000133026708 196306392 /nfs/dbraw/zinc/30/63/92/196306392.db2.gz DFIMTDQAFADQER-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000133026708 196306394 /nfs/dbraw/zinc/30/63/94/196306394.db2.gz DFIMTDQAFADQER-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188302372 222010679 /nfs/dbraw/zinc/01/06/79/222010679.db2.gz KKMWWQPWJMKGPQ-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188302372 222010682 /nfs/dbraw/zinc/01/06/82/222010682.db2.gz KKMWWQPWJMKGPQ-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364937291 418824654 /nfs/dbraw/zinc/82/46/54/418824654.db2.gz QHHFNVAXVFZYLV-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1nc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365725783 418900197 /nfs/dbraw/zinc/90/01/97/418900197.db2.gz UWQHXAFYLJYYLO-NSHDSACASA-N 1 1 306.326 1.362 20 5 DDBDMO Cc1nc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365725783 418900199 /nfs/dbraw/zinc/90/01/99/418900199.db2.gz UWQHXAFYLJYYLO-NSHDSACASA-N 1 1 306.326 1.362 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426240297 419417449 /nfs/dbraw/zinc/41/74/49/419417449.db2.gz TZPCOTOLOVBEIR-LLVKDONJSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426240297 419417453 /nfs/dbraw/zinc/41/74/53/419417453.db2.gz TZPCOTOLOVBEIR-LLVKDONJSA-N 1 1 323.349 1.389 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000426254576 419423546 /nfs/dbraw/zinc/42/35/46/419423546.db2.gz DZLRASKILOYYJZ-JSGCOSHPSA-N 1 1 310.350 1.181 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C(C)C)CC2)n1 ZINC000427448149 419661714 /nfs/dbraw/zinc/66/17/14/419661714.db2.gz FLTHHCVNGUQSHS-UHFFFAOYSA-N 1 1 309.370 1.368 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000421699027 419685179 /nfs/dbraw/zinc/68/51/79/419685179.db2.gz ABSJOZTUKWHEMM-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1cccc(NCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000427417220 419654842 /nfs/dbraw/zinc/65/48/42/419654842.db2.gz ZEXINJHKKIJXSH-UHFFFAOYSA-N 1 1 315.333 1.921 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299470089 229137233 /nfs/dbraw/zinc/13/72/33/229137233.db2.gz BHEQUHMMTZGVCE-CHWSQXEVSA-N 1 1 321.381 1.233 20 5 DDBDMO CC(C)[C@@H]([NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268591 419999412 /nfs/dbraw/zinc/99/94/12/419999412.db2.gz GPSPLAYWGIKICB-FZMZJTMJSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@@H](N)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268591 419999415 /nfs/dbraw/zinc/99/94/15/419999415.db2.gz GPSPLAYWGIKICB-FZMZJTMJSA-N 1 1 308.382 1.885 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000430220352 420091927 /nfs/dbraw/zinc/09/19/27/420091927.db2.gz PONVLIBKROVKEB-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919279 420204328 /nfs/dbraw/zinc/20/43/28/420204328.db2.gz PVUPFVBIAPJKON-TZMCWYRMSA-N 1 1 320.393 1.901 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296424 420312558 /nfs/dbraw/zinc/31/25/58/420312558.db2.gz NVKSLGUSTQTOLW-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000420802936 420396567 /nfs/dbraw/zinc/39/65/67/420396567.db2.gz SMTSJETYNHFPAC-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498437 420396595 /nfs/dbraw/zinc/39/65/95/420396595.db2.gz XHHJLIYHAAYOQX-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000450950243 420569022 /nfs/dbraw/zinc/56/90/22/420569022.db2.gz CHNONMDLMHPDDN-VIFPVBQESA-N 1 1 323.378 1.102 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986023 420618973 /nfs/dbraw/zinc/61/89/73/420618973.db2.gz XDPNTZHYTRKKNM-HNNXBMFYSA-N 1 1 323.418 1.976 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000457120163 420621522 /nfs/dbraw/zinc/62/15/22/420621522.db2.gz NTUJWDPMLKJMSV-LLVKDONJSA-N 1 1 324.356 1.871 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442309765 420678492 /nfs/dbraw/zinc/67/84/92/420678492.db2.gz UDOXXMQARJQSRQ-GHMZBOCLSA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442309765 420678495 /nfs/dbraw/zinc/67/84/95/420678495.db2.gz UDOXXMQARJQSRQ-GHMZBOCLSA-N 1 1 320.349 1.084 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448058398 420835288 /nfs/dbraw/zinc/83/52/88/420835288.db2.gz NECSRGCREKQWFY-WCQYABFASA-N 1 1 305.382 1.781 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000454735380 420917218 /nfs/dbraw/zinc/91/72/18/420917218.db2.gz KHAWYYBNRWHFIJ-NSHDSACASA-N 1 1 321.381 1.636 20 5 DDBDMO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000487740064 421047702 /nfs/dbraw/zinc/04/77/02/421047702.db2.gz OISMXIVUYPDMPC-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CNc1nc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657472 421050347 /nfs/dbraw/zinc/05/03/47/421050347.db2.gz MFEZJUZEXLUVAZ-GHMZBOCLSA-N 1 1 319.365 1.340 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494259 421030962 /nfs/dbraw/zinc/03/09/62/421030962.db2.gz DDJFZZMCEULKSW-KOLCDFICSA-N 1 1 317.349 1.285 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000455996170 421086008 /nfs/dbraw/zinc/08/60/08/421086008.db2.gz OZMSABPLEXPVTN-GXFFZTMASA-N 1 1 319.365 1.198 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456039694 421092170 /nfs/dbraw/zinc/09/21/70/421092170.db2.gz MVBYDWHFLRVSQS-ZDUSSCGKSA-N 1 1 321.381 1.444 20 5 DDBDMO Cc1nc(NC[C@H](CC(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000450245930 421170658 /nfs/dbraw/zinc/17/06/58/421170658.db2.gz SHNXOOCWDVMLMV-ZDUSSCGKSA-N 1 1 323.397 1.852 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2CCCO)n1 ZINC000450598852 421215334 /nfs/dbraw/zinc/21/53/34/421215334.db2.gz RSCVMKZHEPBCOW-ZDUSSCGKSA-N 1 1 308.382 1.865 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000548403849 421433710 /nfs/dbraw/zinc/43/37/10/421433710.db2.gz HDWYBMFEWHFEPW-ZDUSSCGKSA-N 1 1 308.382 1.784 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549370670 421500360 /nfs/dbraw/zinc/50/03/60/421500360.db2.gz ZYFYAQRZTCAJNI-LBPRGKRZSA-N 1 1 321.381 1.845 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000549638908 421504330 /nfs/dbraw/zinc/50/43/30/421504330.db2.gz DGQTZCHJUUJBLG-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000549638908 421504331 /nfs/dbraw/zinc/50/43/31/421504331.db2.gz DGQTZCHJUUJBLG-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516853153 421570232 /nfs/dbraw/zinc/57/02/32/421570232.db2.gz BFLVUUHPTDZSST-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516853153 421570235 /nfs/dbraw/zinc/57/02/35/421570235.db2.gz BFLVUUHPTDZSST-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785426 421625917 /nfs/dbraw/zinc/62/59/17/421625917.db2.gz ZEFLTRVISQPIRV-SLEUVZQESA-N 1 1 318.377 1.792 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)C(C)(C)C1 ZINC000556084582 421700245 /nfs/dbraw/zinc/70/02/45/421700245.db2.gz GIGQFUGPQATWFN-LBPRGKRZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000519643618 421712873 /nfs/dbraw/zinc/71/28/73/421712873.db2.gz WSUGYLISVYPOJL-STQMWFEESA-N 1 1 320.393 1.996 20 5 DDBDMO COC(=O)c1cnc(NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572090481 421764026 /nfs/dbraw/zinc/76/40/26/421764026.db2.gz LEQJCYNAQOXHNM-SNVBAGLBSA-N 1 1 320.349 1.673 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000572185640 421768665 /nfs/dbraw/zinc/76/86/65/421768665.db2.gz VEGHCHGOZMSKAC-LLVKDONJSA-N 1 1 304.354 1.780 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521884217 421805067 /nfs/dbraw/zinc/80/50/67/421805067.db2.gz GPNFUUKHNFTCNT-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000584239709 422291521 /nfs/dbraw/zinc/29/15/21/422291521.db2.gz JPPKYBMCJRXAON-INIZCTEOSA-N 1 1 305.378 1.891 20 5 DDBDMO CCCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000594373842 422347677 /nfs/dbraw/zinc/34/76/77/422347677.db2.gz INSAVPVLOLSJBK-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO COC(=O)c1ccnc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598629751 422398068 /nfs/dbraw/zinc/39/80/68/422398068.db2.gz PGKAKMFMFBLYJS-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000344869431 272132473 /nfs/dbraw/zinc/13/24/73/272132473.db2.gz RSIKXSZJQXYRFY-WDBUWWRISA-N 1 1 305.378 1.654 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@]1(O)CC[N@H+](C)C1 ZINC000344869431 272132475 /nfs/dbraw/zinc/13/24/75/272132475.db2.gz RSIKXSZJQXYRFY-WDBUWWRISA-N 1 1 305.378 1.654 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345282721 272208288 /nfs/dbraw/zinc/20/82/88/272208288.db2.gz GQZPHLHXPBGOES-UWVGGRQHSA-N 1 1 309.370 1.483 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000285989939 274004484 /nfs/dbraw/zinc/00/44/84/274004484.db2.gz CPFDUMKQNWKDJJ-SNVBAGLBSA-N 1 1 306.322 1.061 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000411692357 276121993 /nfs/dbraw/zinc/12/19/93/276121993.db2.gz JZVUSVAGNACHDM-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073128 300000583 /nfs/dbraw/zinc/00/05/83/300000583.db2.gz UHYUGJWVKWSEHX-GHMZBOCLSA-N 1 1 323.349 1.102 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073128 300000584 /nfs/dbraw/zinc/00/05/84/300000584.db2.gz UHYUGJWVKWSEHX-GHMZBOCLSA-N 1 1 323.349 1.102 20 5 DDBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000362699971 300118016 /nfs/dbraw/zinc/11/80/16/300118016.db2.gz XFEUHDOGPQCDLV-GFCCVEGCSA-N 1 1 324.406 1.053 20 5 DDBDMO O=[N+]([O-])c1ccn(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)n1 ZINC000368467468 301034785 /nfs/dbraw/zinc/03/47/85/301034785.db2.gz AULIUEZJCLQSOQ-UHFFFAOYSA-N 1 1 313.321 1.904 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368557878 301051851 /nfs/dbraw/zinc/05/18/51/301051851.db2.gz RHPNRQCZJDPMFF-NSHDSACASA-N 1 1 315.276 1.039 20 5 DDBDMO CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000377123228 302146055 /nfs/dbraw/zinc/14/60/55/302146055.db2.gz OPKBEFNHOBRNLD-KWCYVHTRSA-N 1 1 323.780 1.820 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000378270551 302306220 /nfs/dbraw/zinc/30/62/20/302306220.db2.gz SCLIXEJKNKOHKL-SECBINFHSA-N 1 1 314.305 1.858 20 5 DDBDMO Cc1sc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000547734215 303550066 /nfs/dbraw/zinc/55/00/66/303550066.db2.gz ROPOFWLDZPXKRM-UHFFFAOYSA-N 1 1 321.362 1.650 20 5 DDBDMO COc1cccc(N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000364976288 307055751 /nfs/dbraw/zinc/05/57/51/307055751.db2.gz DNDLKTBZEIFXGP-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365115561 307059054 /nfs/dbraw/zinc/05/90/54/307059054.db2.gz ZTSFIBGLJOAREM-ZBEGNZNMSA-N 1 1 319.361 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365115561 307059055 /nfs/dbraw/zinc/05/90/55/307059055.db2.gz ZTSFIBGLJOAREM-ZBEGNZNMSA-N 1 1 319.361 1.769 20 5 DDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929735 307112987 /nfs/dbraw/zinc/11/29/87/307112987.db2.gz IUUBTYVEHXKFDL-KBPBESRZSA-N 1 1 304.350 1.174 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373514605 307189670 /nfs/dbraw/zinc/18/96/70/307189670.db2.gz UYZVHVCRXBTXFZ-MFKMUULPSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373514605 307189671 /nfs/dbraw/zinc/18/96/71/307189671.db2.gz UYZVHVCRXBTXFZ-MFKMUULPSA-N 1 1 305.334 1.379 20 5 DDBDMO COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000567718523 308092228 /nfs/dbraw/zinc/09/22/28/308092228.db2.gz DJVZJGAIECRGOF-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000571263526 308192810 /nfs/dbraw/zinc/19/28/10/308192810.db2.gz FLZDGTPQOAMEIC-MFKMUULPSA-N 1 1 319.365 1.407 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488805474 484218381 /nfs/dbraw/zinc/21/83/81/484218381.db2.gz SUJWOHPLVDOQEA-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875515 490372153 /nfs/dbraw/zinc/37/21/53/490372153.db2.gz QIPYMBLZMCVMNE-XHDPSFHLSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875515 490372157 /nfs/dbraw/zinc/37/21/57/490372157.db2.gz QIPYMBLZMCVMNE-XHDPSFHLSA-N 1 1 307.350 1.484 20 5 DDBDMO CCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000451522228 528060783 /nfs/dbraw/zinc/06/07/83/528060783.db2.gz AWNKHJSKUMDDHU-JSGCOSHPSA-N 1 1 309.366 1.503 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000330956730 528934090 /nfs/dbraw/zinc/93/40/90/528934090.db2.gz HTCGXLBRVDLEHQ-UHFFFAOYSA-N 1 1 309.370 1.030 20 5 DDBDMO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452108769 529124009 /nfs/dbraw/zinc/12/40/09/529124009.db2.gz FQMRDIDIBHIODA-GXTWGEPZSA-N 1 1 319.361 1.551 20 5 DDBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452108769 529124012 /nfs/dbraw/zinc/12/40/12/529124012.db2.gz FQMRDIDIBHIODA-GXTWGEPZSA-N 1 1 319.361 1.551 20 5 DDBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820664756 599589641 /nfs/dbraw/zinc/58/96/41/599589641.db2.gz BQDHMOSQSCXTNL-UWVGGRQHSA-N 1 1 317.353 1.670 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000746001444 700001912 /nfs/dbraw/zinc/00/19/12/700001912.db2.gz FQEUAKVMIAODCJ-NSHDSACASA-N 1 1 318.377 1.945 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000746001444 700001915 /nfs/dbraw/zinc/00/19/15/700001915.db2.gz FQEUAKVMIAODCJ-NSHDSACASA-N 1 1 318.377 1.945 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000105613015 696624053 /nfs/dbraw/zinc/62/40/53/696624053.db2.gz HAYSAKDHCRWCPX-GFCCVEGCSA-N 1 1 307.350 1.704 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1[N+](=O)[O-] ZINC000105613015 696624054 /nfs/dbraw/zinc/62/40/54/696624054.db2.gz HAYSAKDHCRWCPX-GFCCVEGCSA-N 1 1 307.350 1.704 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590913 698123629 /nfs/dbraw/zinc/12/36/29/698123629.db2.gz MFRSJDQBNAWYMN-UONOGXRCSA-N 1 1 308.334 1.656 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776590436 698123830 /nfs/dbraw/zinc/12/38/30/698123830.db2.gz DNNCWUIJMPFJST-LERXQTSPSA-N 1 1 308.334 1.369 20 5 DDBDMO COCCO[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594004 698124372 /nfs/dbraw/zinc/12/43/72/698124372.db2.gz QQMCHLJJVMRAAH-JKSUJKDBSA-N 1 1 324.377 1.756 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676951 699237950 /nfs/dbraw/zinc/23/79/50/699237950.db2.gz BLUNENGNZDEQNR-GWCFXTLKSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676951 699237953 /nfs/dbraw/zinc/23/79/53/699237953.db2.gz BLUNENGNZDEQNR-GWCFXTLKSA-N 1 1 300.742 1.566 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705390348 699240757 /nfs/dbraw/zinc/24/07/57/699240757.db2.gz YGXTYNPPNQVBGE-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705390348 699240759 /nfs/dbraw/zinc/24/07/59/699240759.db2.gz YGXTYNPPNQVBGE-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000753949279 700470543 /nfs/dbraw/zinc/47/05/43/700470543.db2.gz HVXKXYCJZOZDOU-GFCCVEGCSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000753949279 700470544 /nfs/dbraw/zinc/47/05/44/700470544.db2.gz HVXKXYCJZOZDOU-GFCCVEGCSA-N 1 1 308.334 1.861 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758286002 700696530 /nfs/dbraw/zinc/69/65/30/700696530.db2.gz RBFCQABBVYGADP-WDEREUQCSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758286002 700696531 /nfs/dbraw/zinc/69/65/31/700696531.db2.gz RBFCQABBVYGADP-WDEREUQCSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000761073767 700838917 /nfs/dbraw/zinc/83/89/17/700838917.db2.gz HKADHOBNYVEKEN-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1C ZINC000761073767 700838921 /nfs/dbraw/zinc/83/89/21/700838921.db2.gz HKADHOBNYVEKEN-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761076617 700840171 /nfs/dbraw/zinc/84/01/71/700840171.db2.gz HXNGGVZQCFUJEI-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761076617 700840175 /nfs/dbraw/zinc/84/01/75/700840175.db2.gz HXNGGVZQCFUJEI-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761076617 700840177 /nfs/dbraw/zinc/84/01/77/700840177.db2.gz HXNGGVZQCFUJEI-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@H](C(=O)OCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000763400826 700936894 /nfs/dbraw/zinc/93/68/94/700936894.db2.gz BBKVUNWNULRBAW-ZDUSSCGKSA-N 1 1 322.361 1.964 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC000804399268 701186983 /nfs/dbraw/zinc/18/69/83/701186983.db2.gz KKKKJDNBHUHZBE-UHFFFAOYSA-N 1 1 310.310 1.007 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771920243 701336984 /nfs/dbraw/zinc/33/69/84/701336984.db2.gz XDLSFRIAGAYGAT-UHFFFAOYSA-N 1 1 320.261 1.865 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000808207286 701507641 /nfs/dbraw/zinc/50/76/41/701507641.db2.gz PKUZNPRDPRRCFG-LBPRGKRZSA-N 1 1 307.354 1.002 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000808207286 701507642 /nfs/dbraw/zinc/50/76/42/701507642.db2.gz PKUZNPRDPRRCFG-LBPRGKRZSA-N 1 1 307.354 1.002 20 5 DDBDMO COCCOCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000808237596 701510321 /nfs/dbraw/zinc/51/03/21/701510321.db2.gz XSTMCLVBGGQKSF-UHFFFAOYSA-N 1 1 322.365 1.805 20 5 DDBDMO COCCOCC[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000808237596 701510322 /nfs/dbraw/zinc/51/03/22/701510322.db2.gz XSTMCLVBGGQKSF-UHFFFAOYSA-N 1 1 322.365 1.805 20 5 DDBDMO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839695428 701787968 /nfs/dbraw/zinc/78/79/68/701787968.db2.gz GJWILUUPBGGFFF-NWANDNLSSA-N 1 1 305.378 1.678 20 5 DDBDMO C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839695428 701787972 /nfs/dbraw/zinc/78/79/72/701787972.db2.gz GJWILUUPBGGFFF-NWANDNLSSA-N 1 1 305.378 1.678 20 5 DDBDMO C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839695428 701787975 /nfs/dbraw/zinc/78/79/75/701787975.db2.gz GJWILUUPBGGFFF-NWANDNLSSA-N 1 1 305.378 1.678 20 5 DDBDMO C[C@H](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839695426 701788032 /nfs/dbraw/zinc/78/80/32/701788032.db2.gz GJWILUUPBGGFFF-BPLDGKMQSA-N 1 1 305.378 1.678 20 5 DDBDMO C[C@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000839695426 701788035 /nfs/dbraw/zinc/78/80/35/701788035.db2.gz GJWILUUPBGGFFF-BPLDGKMQSA-N 1 1 305.378 1.678 20 5 DDBDMO C[C@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000839695426 701788037 /nfs/dbraw/zinc/78/80/37/701788037.db2.gz GJWILUUPBGGFFF-BPLDGKMQSA-N 1 1 305.378 1.678 20 5 DDBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839703453 701790462 /nfs/dbraw/zinc/79/04/62/701790462.db2.gz DLTNIGJPYKEMCF-RRFJBIMHSA-N 1 1 303.362 1.385 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839703453 701790466 /nfs/dbraw/zinc/79/04/66/701790466.db2.gz DLTNIGJPYKEMCF-RRFJBIMHSA-N 1 1 303.362 1.385 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839703453 701790471 /nfs/dbraw/zinc/79/04/71/701790471.db2.gz DLTNIGJPYKEMCF-RRFJBIMHSA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839728003 701799689 /nfs/dbraw/zinc/79/96/89/701799689.db2.gz GPRRFFZZKPYYDM-OAGGEKHMSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839728003 701799692 /nfs/dbraw/zinc/79/96/92/701799692.db2.gz GPRRFFZZKPYYDM-OAGGEKHMSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839728003 701799695 /nfs/dbraw/zinc/79/96/95/701799695.db2.gz GPRRFFZZKPYYDM-OAGGEKHMSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000867945021 701846841 /nfs/dbraw/zinc/84/68/41/701846841.db2.gz OHMZJSURKUKOKP-FIXISWKDSA-N 1 1 307.350 1.405 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840104485 701970095 /nfs/dbraw/zinc/97/00/95/701970095.db2.gz MXELWQHNTFIAFV-OAHLLOKOSA-N 1 1 319.365 1.964 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000840138943 701991164 /nfs/dbraw/zinc/99/11/64/701991164.db2.gz VBLATLADOWXMGO-OLZOCXBDSA-N 1 1 322.365 1.756 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000840138943 701991167 /nfs/dbraw/zinc/99/11/67/701991167.db2.gz VBLATLADOWXMGO-OLZOCXBDSA-N 1 1 322.365 1.756 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817492517 702391146 /nfs/dbraw/zinc/39/11/46/702391146.db2.gz XTECNXXHWMGKQT-ZDUSSCGKSA-N 1 1 320.393 1.827 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046639 702663429 /nfs/dbraw/zinc/66/34/29/702663429.db2.gz FTNOBBLOPYTYCA-UWVGGRQHSA-N 1 1 321.337 1.022 20 5 DDBDMO O=[N+]([O-])c1ccccc1Cc1noc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000843170616 702832558 /nfs/dbraw/zinc/83/25/58/702832558.db2.gz HXEHWLXFSIXWEE-GFCCVEGCSA-N 1 1 318.333 1.837 20 5 DDBDMO C[N@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000844740157 703066599 /nfs/dbraw/zinc/06/65/99/703066599.db2.gz INNXDEZEDNUMSC-HNNXBMFYSA-N 1 1 315.377 1.608 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848350703 703541844 /nfs/dbraw/zinc/54/18/44/703541844.db2.gz SJYDPIRJNICHTI-KBPBESRZSA-N 1 1 318.377 1.924 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848350707 703541858 /nfs/dbraw/zinc/54/18/58/703541858.db2.gz SJYDPIRJNICHTI-UONOGXRCSA-N 1 1 318.377 1.924 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848353159 703542305 /nfs/dbraw/zinc/54/23/05/703542305.db2.gz YIITWRMBONOIPY-CHWSQXEVSA-N 1 1 319.365 1.319 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000879687719 706759432 /nfs/dbraw/zinc/75/94/32/706759432.db2.gz VPAUFDKACNHCCQ-SNVBAGLBSA-N 1 1 318.333 1.966 20 5 DDBDMO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850431470 703730778 /nfs/dbraw/zinc/73/07/78/703730778.db2.gz DSEFCCRQCQXWGS-SNVBAGLBSA-N 1 1 316.379 1.689 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972941 704039195 /nfs/dbraw/zinc/03/91/95/704039195.db2.gz PHWLLUZTRRYJAF-LRDDRELGSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972941 704039196 /nfs/dbraw/zinc/03/91/96/704039196.db2.gz PHWLLUZTRRYJAF-LRDDRELGSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972941 704039197 /nfs/dbraw/zinc/03/91/97/704039197.db2.gz PHWLLUZTRRYJAF-LRDDRELGSA-N 1 1 305.378 1.702 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501844 704251747 /nfs/dbraw/zinc/25/17/47/704251747.db2.gz LOFQJDJTPMISRR-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799558 704316982 /nfs/dbraw/zinc/31/69/82/704316982.db2.gz MGYRYBZROIGGRQ-VXGBXAGGSA-N 1 1 319.365 1.764 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])[C@H](C)CO1 ZINC000853799558 704316984 /nfs/dbraw/zinc/31/69/84/704316984.db2.gz MGYRYBZROIGGRQ-VXGBXAGGSA-N 1 1 319.365 1.764 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cn[nH]n3)CC2)cc1 ZINC000821343760 704394364 /nfs/dbraw/zinc/39/43/64/704394364.db2.gz ZTKVARFNSUOSAN-UHFFFAOYSA-N 1 1 302.338 1.078 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643237 704431911 /nfs/dbraw/zinc/43/19/11/704431911.db2.gz SEOIQYUICYJEOH-STQMWFEESA-N 1 1 313.398 1.144 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000822722623 705020120 /nfs/dbraw/zinc/02/01/20/705020120.db2.gz IJRAEUPLYPRAJK-JTQLQIEISA-N 1 1 320.305 1.906 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000860162489 705120292 /nfs/dbraw/zinc/12/02/92/705120292.db2.gz ZLBSPXZDPYIECW-ZWNOBZJWSA-N 1 1 319.317 1.028 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176336 705123348 /nfs/dbraw/zinc/12/33/48/705123348.db2.gz CWPPCGXTUCIRBD-JKSUJKDBSA-N 1 1 321.377 1.619 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843456 705198643 /nfs/dbraw/zinc/19/86/43/705198643.db2.gz NMZLDTOULMOHFI-CABCVRRESA-N 1 1 318.377 1.702 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994003 705350650 /nfs/dbraw/zinc/35/06/50/705350650.db2.gz MXFJQKBJVQPSCA-NSHDSACASA-N 1 1 321.381 1.983 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825338834 705649487 /nfs/dbraw/zinc/64/94/87/705649487.db2.gz VEKDLSISGNKVHT-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526993 705687874 /nfs/dbraw/zinc/68/78/74/705687874.db2.gz KVCMCOYSMUXBHL-GJZGRUSLSA-N 1 1 321.377 1.081 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000825648460 705708964 /nfs/dbraw/zinc/70/89/64/705708964.db2.gz SEXVJLHSIGNKOA-CQSZACIVSA-N 1 1 307.350 1.240 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000825648460 705708965 /nfs/dbraw/zinc/70/89/65/705708965.db2.gz SEXVJLHSIGNKOA-CQSZACIVSA-N 1 1 307.350 1.240 20 5 DDBDMO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827302699 705972160 /nfs/dbraw/zinc/97/21/60/705972160.db2.gz XCFPPVGHDJGRLB-IINYFYTJSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827302699 705972162 /nfs/dbraw/zinc/97/21/62/705972162.db2.gz XCFPPVGHDJGRLB-IINYFYTJSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827313254 705973341 /nfs/dbraw/zinc/97/33/41/705973341.db2.gz YVPSQBRDAZHKJP-PWSUYJOCSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827320515 705974985 /nfs/dbraw/zinc/97/49/85/705974985.db2.gz RZBLQYDYIYZJMY-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827338033 705979540 /nfs/dbraw/zinc/97/95/40/705979540.db2.gz NADCRRXYAWFPCD-CABZTGNLSA-N 1 1 322.340 1.482 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)o1 ZINC000877748515 706197737 /nfs/dbraw/zinc/19/77/37/706197737.db2.gz DHTBBFVJWPXXHM-CABCVRRESA-N 1 1 318.329 1.782 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[NH+]1CCC(O)CC1 ZINC000829283801 706313713 /nfs/dbraw/zinc/31/37/13/706313713.db2.gz WAWBFLXXDDZPTL-UHFFFAOYSA-N 1 1 310.310 1.372 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](CO)C1 ZINC000872605003 707508850 /nfs/dbraw/zinc/50/88/50/707508850.db2.gz BMLWGKUDGYNNPR-JTQLQIEISA-N 1 1 308.363 1.317 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](CO)C1 ZINC000872605003 707508852 /nfs/dbraw/zinc/50/88/52/707508852.db2.gz BMLWGKUDGYNNPR-JTQLQIEISA-N 1 1 308.363 1.317 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312618 706937948 /nfs/dbraw/zinc/93/79/48/706937948.db2.gz RLSRURLQPFRQII-OKILXGFUSA-N 1 1 319.361 1.514 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000880425587 706970305 /nfs/dbraw/zinc/97/03/05/706970305.db2.gz GHAWSLYHBHVUPG-WFASDCNBSA-N 1 1 310.350 1.839 20 5 DDBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccccc1 ZINC000880461949 706982471 /nfs/dbraw/zinc/98/24/71/706982471.db2.gz NXQWNTOQBIQXIC-AWEZNQCLSA-N 1 1 304.350 1.847 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000836948106 707553135 /nfs/dbraw/zinc/55/31/35/707553135.db2.gz XYOZIVQWMZZCNK-GFCCVEGCSA-N 1 1 306.366 1.733 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779840 707597083 /nfs/dbraw/zinc/59/70/83/707597083.db2.gz IWZUHWKZZBEOFM-UWVGGRQHSA-N 1 1 307.379 1.977 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000882484578 707655244 /nfs/dbraw/zinc/65/52/44/707655244.db2.gz HLJRZXVTMUKJNQ-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000873360995 707824613 /nfs/dbraw/zinc/82/46/13/707824613.db2.gz QOXJUIKWSRMXKM-TUAOUCFPSA-N 1 1 324.381 1.904 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219639 708257232 /nfs/dbraw/zinc/25/72/32/708257232.db2.gz MFOKNTLWPWLAEH-MNOVXSKESA-N 1 1 310.329 1.164 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889783126 709634361 /nfs/dbraw/zinc/63/43/61/709634361.db2.gz VLWISJJKFTVIRV-CABCVRRESA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000900968695 709854536 /nfs/dbraw/zinc/85/45/36/709854536.db2.gz WRMDPUMODKBGAS-GHJWDPDVSA-N 1 1 321.377 1.536 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928430894 713192427 /nfs/dbraw/zinc/19/24/27/713192427.db2.gz JUQJTQLZXFDYKF-KAOXEZKKSA-N 1 1 303.362 1.907 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000928570073 713233084 /nfs/dbraw/zinc/23/30/84/713233084.db2.gz REDWJBNSYPHWKK-GFCCVEGCSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000928570073 713233085 /nfs/dbraw/zinc/23/30/85/713233085.db2.gz REDWJBNSYPHWKK-GFCCVEGCSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000928574391 713234528 /nfs/dbraw/zinc/23/45/28/713234528.db2.gz VDYNTXUSBPYCPZ-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000928574391 713234530 /nfs/dbraw/zinc/23/45/30/713234530.db2.gz VDYNTXUSBPYCPZ-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000894884680 711307669 /nfs/dbraw/zinc/30/76/69/711307669.db2.gz ILWHZOSWLIMZQZ-CYBMUJFWSA-N 1 1 302.334 1.256 20 5 DDBDMO Cc1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896524598 711738214 /nfs/dbraw/zinc/73/82/14/711738214.db2.gz XIJIHDNOJCLHGN-ZDUSSCGKSA-N 1 1 306.366 1.963 20 5 DDBDMO C[C@@]1(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC[NH2+]C1 ZINC000904343606 711843820 /nfs/dbraw/zinc/84/38/20/711843820.db2.gz WECBBEZFANWSCT-OAHLLOKOSA-N 1 1 307.398 1.818 20 5 DDBDMO Cc1[nH]nc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914444060 713396303 /nfs/dbraw/zinc/39/63/03/713396303.db2.gz OVIGKETXHXVVDD-ZYHUDNBSSA-N 1 1 323.397 1.961 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000919801727 713635750 /nfs/dbraw/zinc/63/57/50/713635750.db2.gz GOVQGUVSABXBIU-HNNXBMFYSA-N 1 1 320.393 1.921 20 5 DDBDMO CCO[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000930852728 713937630 /nfs/dbraw/zinc/93/76/30/713937630.db2.gz MLQAPDHJHXQGEX-VXGBXAGGSA-N 1 1 317.386 1.125 20 5 DDBDMO CCO[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000930852728 713937633 /nfs/dbraw/zinc/93/76/33/713937633.db2.gz MLQAPDHJHXQGEX-VXGBXAGGSA-N 1 1 317.386 1.125 20 5 DDBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000931677686 714158648 /nfs/dbraw/zinc/15/86/48/714158648.db2.gz WHLWVOYKAOGNNM-CQSZACIVSA-N 1 1 310.350 1.771 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348336 714315879 /nfs/dbraw/zinc/31/58/79/714315879.db2.gz MVJBYCKZTWJVDC-GXTWGEPZSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932351649 714316778 /nfs/dbraw/zinc/31/67/78/714316778.db2.gz CFLFOTSEDWCKOM-CYBMUJFWSA-N 1 1 302.338 1.631 20 5 DDBDMO CC1(C)C[NH2+]CC[C@H]1NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923368372 714330062 /nfs/dbraw/zinc/33/00/62/714330062.db2.gz BHEBWAGJXUODRC-DZGCQCFKSA-N 1 1 323.393 1.312 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115519 714745275 /nfs/dbraw/zinc/74/52/75/714745275.db2.gz ATJKKNOKBRBEEN-DZGCQCFKSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115519 714745276 /nfs/dbraw/zinc/74/52/76/714745276.db2.gz ATJKKNOKBRBEEN-DZGCQCFKSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120305 714747080 /nfs/dbraw/zinc/74/70/80/714747080.db2.gz SXFWWODOEKMBNS-KGLIPLIRSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120305 714747082 /nfs/dbraw/zinc/74/70/82/714747082.db2.gz SXFWWODOEKMBNS-KGLIPLIRSA-N 1 1 307.350 1.667 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)n1 ZINC000934438828 714822237 /nfs/dbraw/zinc/82/22/37/714822237.db2.gz SORYPBWDPRNWKG-HUUCEWRRSA-N 1 1 316.361 1.327 20 5 DDBDMO CCC(=O)N1CCC(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029922655 741591042 /nfs/dbraw/zinc/59/10/42/741591042.db2.gz WXLVNJLNTAJMBK-UHFFFAOYSA-N 1 1 323.397 1.409 20 5 DDBDMO CCC(=O)N1CCC(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029922655 741591045 /nfs/dbraw/zinc/59/10/45/741591045.db2.gz WXLVNJLNTAJMBK-UHFFFAOYSA-N 1 1 323.397 1.409 20 5 DDBDMO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC000996439025 749574235 /nfs/dbraw/zinc/57/42/35/749574235.db2.gz AEEMXEXFMJNGPO-CHWSQXEVSA-N 1 1 324.406 1.197 20 5 DDBDMO O=C1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038656 762193611 /nfs/dbraw/zinc/19/36/11/762193611.db2.gz JXKLKTISFAUVFU-JKSUJKDBSA-N 1 1 317.389 1.776 20 5 DDBDMO O=C1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038656 762193613 /nfs/dbraw/zinc/19/36/13/762193613.db2.gz JXKLKTISFAUVFU-JKSUJKDBSA-N 1 1 317.389 1.776 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018274 762199515 /nfs/dbraw/zinc/19/95/15/762199515.db2.gz ALHFUMMMBAYKHI-FRRDWIJNSA-N 1 1 323.397 1.196 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018274 762199516 /nfs/dbraw/zinc/19/95/16/762199516.db2.gz ALHFUMMMBAYKHI-FRRDWIJNSA-N 1 1 323.397 1.196 20 5 DDBDMO CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019201 762199521 /nfs/dbraw/zinc/19/95/21/762199521.db2.gz FNZDXYVVUCRQKA-FMKPAKJESA-N 1 1 309.410 1.766 20 5 DDBDMO O=C1[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025220 762203113 /nfs/dbraw/zinc/20/31/13/762203113.db2.gz YDZUWGPWPFHOBM-QPSCCSFWSA-N 1 1 307.394 1.232 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057455 762210660 /nfs/dbraw/zinc/21/06/60/762210660.db2.gz VKUNMPJXBZNVAU-JHJVBQTASA-N 1 1 322.365 1.384 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000829037761 759863389 /nfs/dbraw/zinc/86/33/89/759863389.db2.gz JFKOHHXKLXJHJS-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC001020140015 760613771 /nfs/dbraw/zinc/61/37/71/760613771.db2.gz UPTUODPBIMLATB-RGCMKSIDSA-N 1 1 321.352 1.536 20 5 DDBDMO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001086082382 760940800 /nfs/dbraw/zinc/94/08/00/760940800.db2.gz MATZITRMXOLEOR-QKPAOTATSA-N 1 1 317.389 1.645 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363357 761493181 /nfs/dbraw/zinc/49/31/81/761493181.db2.gz PLQBNRGMWGWLGR-FDYHWXHSSA-N 1 1 309.391 1.398 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC001137492697 766350289 /nfs/dbraw/zinc/35/02/89/766350289.db2.gz XKJYELPGUCOFHQ-RQJHMYQMSA-N 1 1 313.745 1.326 20 5 DDBDMO COC(=O)[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(F)(F)F ZINC001171014267 772099938 /nfs/dbraw/zinc/09/99/38/772099938.db2.gz CKYPIIAZIJOJHF-JTQLQIEISA-N 1 1 319.239 1.714 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094008041 775324982 /nfs/dbraw/zinc/32/49/82/775324982.db2.gz DDSHTDAUDVKEHU-UHFFFAOYSA-N 1 1 321.312 1.467 20 5 DDBDMO CCN(CCNC(=O)CC[N@@H+](C)CC)c1ccc([N+](=O)[O-])cc1 ZINC001100607382 776359518 /nfs/dbraw/zinc/35/95/18/776359518.db2.gz YICCQIXPGWBBKW-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)c1F ZINC001173181330 777035318 /nfs/dbraw/zinc/03/53/18/777035318.db2.gz OQGPBRHMPRPQTN-KWBADKCTSA-N 1 1 312.341 1.986 20 5 DDBDMO O=C(CN1CCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176096720 778024480 /nfs/dbraw/zinc/02/44/80/778024480.db2.gz YDGBZQAONMIGNW-UHFFFAOYSA-N 1 1 320.393 1.287 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177314063 778534630 /nfs/dbraw/zinc/53/46/30/778534630.db2.gz YVYGJPITFWVNIF-ZIAGYGMSSA-N 1 1 315.389 1.620 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001119630960 781542805 /nfs/dbraw/zinc/54/28/05/781542805.db2.gz LMLDAPXQSBCHST-CYBMUJFWSA-N 1 1 306.366 1.833 20 5 DDBDMO O=C(CCCF)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266903730 837034673 /nfs/dbraw/zinc/03/46/73/837034673.db2.gz UDVYRFXTDMVAQD-FOLVSLTJSA-N 1 1 321.352 1.891 20 5 DDBDMO COCCC(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001268228718 839861992 /nfs/dbraw/zinc/86/19/92/839861992.db2.gz GIVJMVPPAIYLPP-UHFFFAOYSA-N 1 1 309.366 1.522 20 5 DDBDMO COCCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001268228718 839861999 /nfs/dbraw/zinc/86/19/99/839861999.db2.gz GIVJMVPPAIYLPP-UHFFFAOYSA-N 1 1 309.366 1.522 20 5 DDBDMO CCc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001268792048 840813104 /nfs/dbraw/zinc/81/31/04/840813104.db2.gz UTLAXFJEMGPBSI-VXGBXAGGSA-N 1 1 324.381 1.149 20 5 DDBDMO CNc1c(C(=O)NCc2c[nH+]c3n2CCC3)cccc1[N+](=O)[O-] ZINC001154937455 861584492 /nfs/dbraw/zinc/58/44/92/861584492.db2.gz OLMQENCOQYSDNB-UHFFFAOYSA-N 1 1 315.333 1.709 20 5 DDBDMO C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001120693120 858574411 /nfs/dbraw/zinc/57/44/11/858574411.db2.gz LDNPFPSOSZATOG-GFCCVEGCSA-N 1 1 321.377 1.476 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC1CCCC1 ZINC001122878623 858993554 /nfs/dbraw/zinc/99/35/54/858993554.db2.gz BKQKZOUGCNVLOM-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO Cc1cc(-n2cnc(C[NH3+])cc2=N)nc2ccc([N+](=O)[O-])cc12 ZINC001156620440 863197768 /nfs/dbraw/zinc/19/77/68/863197768.db2.gz OFJGXMWNRQPOIX-UHFFFAOYSA-N 1 1 310.317 1.575 20 5 DDBDMO CC[N@H+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158561424 864728339 /nfs/dbraw/zinc/72/83/39/864728339.db2.gz DEKXZMZEAFXQQR-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO CCOc1nc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001158735427 864871059 /nfs/dbraw/zinc/87/10/59/864871059.db2.gz DEPJQLUSCRCXQX-NSHDSACASA-N 1 1 322.365 1.298 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001161493721 866711455 /nfs/dbraw/zinc/71/14/55/866711455.db2.gz GSLBVFDWIMHFDD-LLVKDONJSA-N 1 1 319.361 1.912 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001161493721 866711460 /nfs/dbraw/zinc/71/14/60/866711460.db2.gz GSLBVFDWIMHFDD-LLVKDONJSA-N 1 1 319.361 1.912 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001333710519 866955770 /nfs/dbraw/zinc/95/57/70/866955770.db2.gz LHTNYPBFYRVNIE-AAEUAGOBSA-N 1 1 306.366 1.919 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001320704251 866963349 /nfs/dbraw/zinc/96/33/49/866963349.db2.gz YLMDGTYJFGHKCM-LLVKDONJSA-N 1 1 306.366 1.851 20 5 DDBDMO C[NH+]1CCN(Cc2cc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC001334006470 867228220 /nfs/dbraw/zinc/22/82/20/867228220.db2.gz WWEQVUSZCIBMAV-UHFFFAOYSA-N 1 1 302.334 1.997 20 5 DDBDMO C[C@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC001334027200 867246482 /nfs/dbraw/zinc/24/64/82/867246482.db2.gz YUTWTAVRGABIKY-NSHDSACASA-N 1 1 307.350 1.794 20 5 DDBDMO Cc1ncc([N+](=O)[O-])c(NCC[C@@H]2CC[NH2+]CC2(F)F)n1 ZINC001162811452 867847985 /nfs/dbraw/zinc/84/79/85/867847985.db2.gz ZHDDLYDXJUEMFA-VIFPVBQESA-N 1 1 301.297 1.740 20 5 DDBDMO CC(C)[N@@H+](CCO)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC001336711721 869104073 /nfs/dbraw/zinc/10/40/73/869104073.db2.gz RXNBDUDQSSHCNI-UHFFFAOYSA-N 1 1 322.409 1.909 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165300382 869506594 /nfs/dbraw/zinc/50/65/94/869506594.db2.gz NECLSNOBVCLYKB-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO COC(=O)c1ccnc(N2CCn3c(C)[nH+]cc3C2)c1[N+](=O)[O-] ZINC001165385903 869559296 /nfs/dbraw/zinc/55/92/96/869559296.db2.gz SBJGVPHBJJRTRE-UHFFFAOYSA-N 1 1 317.305 1.302 20 5 DDBDMO CN(CCC1OCCO1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001167027359 870484720 /nfs/dbraw/zinc/48/47/20/870484720.db2.gz XUIXHLQJEQDGEU-GQCTYLIASA-N 1 1 322.365 1.721 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC001339997514 870829506 /nfs/dbraw/zinc/82/95/06/870829506.db2.gz CPOXNOCVLVEBJF-HBNTYKKESA-N 1 1 320.349 1.529 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303986542 871172930 /nfs/dbraw/zinc/17/29/30/871172930.db2.gz XJEMBVQTSPZNIW-ZDUSSCGKSA-N 1 1 307.350 1.430 20 5 DDBDMO C[N@@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC001353203913 877183760 /nfs/dbraw/zinc/18/37/60/877183760.db2.gz RSFCVDZKRZIVRX-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC001353203913 877183772 /nfs/dbraw/zinc/18/37/72/877183772.db2.gz RSFCVDZKRZIVRX-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1c([N+](=O)[O-])cnn1C ZINC001355254228 878476669 /nfs/dbraw/zinc/47/66/69/878476669.db2.gz GSSVUSKOWDNUFL-UHFFFAOYSA-N 1 1 318.337 1.612 20 5 DDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001356582385 879111502 /nfs/dbraw/zinc/11/15/02/879111502.db2.gz FIZWNNFVGBYETP-LBPRGKRZSA-N 1 1 306.366 1.480 20 5 DDBDMO CC[N@H+]1CC[C@@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641645 881037896 /nfs/dbraw/zinc/03/78/96/881037896.db2.gz BWAWFJWQFFSOLE-RISCZKNCSA-N 1 1 308.334 1.920 20 5 DDBDMO CSCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001233631055 887172669 /nfs/dbraw/zinc/17/26/69/887172669.db2.gz ZWHPSRMUGFENNG-UHFFFAOYSA-N 1 1 311.407 1.896 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC001246525439 892678481 /nfs/dbraw/zinc/67/84/81/892678481.db2.gz PTSVTJFMRKGNQR-UHFFFAOYSA-N 1 1 304.394 1.859 20 5 DDBDMO [NH3+]C[C@]1(O)CCCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564307 892700687 /nfs/dbraw/zinc/70/06/87/892700687.db2.gz XHKYEOACEBKMRH-JKSUJKDBSA-N 1 1 305.378 1.238 20 5 DDBDMO C[C@]([NH3+])(CO)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247618660 893252636 /nfs/dbraw/zinc/25/26/36/893252636.db2.gz OHIVPLMINJQFKN-KRWDZBQOSA-N 1 1 321.340 1.999 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC001254479295 896455662 /nfs/dbraw/zinc/45/56/62/896455662.db2.gz WVTMAJSJBWWWSU-ZDUSSCGKSA-N 1 1 305.378 1.878 20 5 DDBDMO CS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601271 896524129 /nfs/dbraw/zinc/52/41/29/896524129.db2.gz XGZGQMQVTBZCOU-KGLIPLIRSA-N 1 1 310.375 1.181 20 5 DDBDMO CS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601271 896524136 /nfs/dbraw/zinc/52/41/36/896524136.db2.gz XGZGQMQVTBZCOU-KGLIPLIRSA-N 1 1 310.375 1.181 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001262055928 899920532 /nfs/dbraw/zinc/92/05/32/899920532.db2.gz YYKMTYLPNWMFBT-AOOOYVTPSA-N 1 1 321.358 1.755 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001262055928 899920545 /nfs/dbraw/zinc/92/05/45/899920545.db2.gz YYKMTYLPNWMFBT-AOOOYVTPSA-N 1 1 321.358 1.755 20 5 DDBDMO CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001265709854 902330004 /nfs/dbraw/zinc/33/00/04/902330004.db2.gz LORURNYOVXANLC-FOLVSLTJSA-N 1 1 303.362 1.941 20 5 DDBDMO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279363794 903236425 /nfs/dbraw/zinc/23/64/25/903236425.db2.gz WJYMGNMLWXXJKS-HIHDZCPBSA-N 1 1 307.394 1.398 20 5 DDBDMO CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279363794 903236439 /nfs/dbraw/zinc/23/64/39/903236439.db2.gz WJYMGNMLWXXJKS-HIHDZCPBSA-N 1 1 307.394 1.398 20 5 DDBDMO CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279363794 903236451 /nfs/dbraw/zinc/23/64/51/903236451.db2.gz WJYMGNMLWXXJKS-HIHDZCPBSA-N 1 1 307.394 1.398 20 5 DDBDMO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1O ZINC000614661516 361968500 /nfs/dbraw/zinc/96/85/00/361968500.db2.gz KLGVOJKKCKPLNO-GXFFZTMASA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1O ZINC000614661516 361968505 /nfs/dbraw/zinc/96/85/05/361968505.db2.gz KLGVOJKKCKPLNO-GXFFZTMASA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278770458 214388687 /nfs/dbraw/zinc/38/86/87/214388687.db2.gz XVMYURDGSUSPBS-CYBMUJFWSA-N 1 1 321.377 1.826 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452391453 231375189 /nfs/dbraw/zinc/37/51/89/231375189.db2.gz QBKHTUIDYDBQRK-LBPRGKRZSA-N 1 1 307.350 1.171 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COCC(F)(F)F ZINC000292578925 530004641 /nfs/dbraw/zinc/00/46/41/530004641.db2.gz ZINUWOFZKQWCRU-NSHDSACASA-N 1 1 322.283 1.966 20 5 DDBDMO C[N@H+](Cc1cccnc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299352071 530006298 /nfs/dbraw/zinc/00/62/98/530006298.db2.gz AHLWKJXPERRNTK-HNNXBMFYSA-N 1 1 317.345 1.862 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018156 215315999 /nfs/dbraw/zinc/31/59/99/215315999.db2.gz KGJLCEAQBQMINA-CJNGLKHVSA-N 1 1 324.377 1.571 20 5 DDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccco1 ZINC000159742520 186138969 /nfs/dbraw/zinc/13/89/69/186138969.db2.gz HJZNZYXQOWYJHS-UHFFFAOYSA-N 1 1 321.333 1.498 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccco1 ZINC000159742520 186138971 /nfs/dbraw/zinc/13/89/71/186138971.db2.gz HJZNZYXQOWYJHS-UHFFFAOYSA-N 1 1 321.333 1.498 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046992557 352474828 /nfs/dbraw/zinc/47/48/28/352474828.db2.gz HYJWIIMMGVFQRA-UKRRQHHQSA-N 1 1 303.362 1.880 20 5 DDBDMO CSCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072665978 191212137 /nfs/dbraw/zinc/21/21/37/191212137.db2.gz OZRLKRWEXGKIDH-JQWIXIFHSA-N 1 1 302.400 1.226 20 5 DDBDMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331807972 234144161 /nfs/dbraw/zinc/14/41/61/234144161.db2.gz KTDDYGRSNVDSBJ-LLVKDONJSA-N 1 1 319.369 1.319 20 5 DDBDMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331807972 234144166 /nfs/dbraw/zinc/14/41/66/234144166.db2.gz KTDDYGRSNVDSBJ-LLVKDONJSA-N 1 1 319.369 1.319 20 5 DDBDMO CCN1CC[NH+](C[C@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000060380156 352869473 /nfs/dbraw/zinc/86/94/73/352869473.db2.gz QZPMGUFITOETSL-CYBMUJFWSA-N 1 1 307.398 1.675 20 5 DDBDMO COC(=O)c1cc(C(=O)NCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000067701828 353062569 /nfs/dbraw/zinc/06/25/69/353062569.db2.gz IOKCSYNTYBIFQQ-UHFFFAOYSA-N 1 1 321.333 1.205 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000067703545 353063671 /nfs/dbraw/zinc/06/36/71/353063671.db2.gz LFLATDWQKVCQAT-LVDDQXARSA-N 1 1 301.346 1.961 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccccc2[N+](=O)[O-])n1C ZINC000074095048 353290681 /nfs/dbraw/zinc/29/06/81/353290681.db2.gz GNFVXBQBKGQVFY-UHFFFAOYSA-N 1 1 303.322 1.324 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000074326553 353307325 /nfs/dbraw/zinc/30/73/25/353307325.db2.gz YYKDLXVOEFZACD-LBPRGKRZSA-N 1 1 307.350 1.992 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000174530672 198347609 /nfs/dbraw/zinc/34/76/09/198347609.db2.gz DVLPVZRDZMXOQH-JTQLQIEISA-N 1 1 324.356 1.730 20 5 DDBDMO C[N@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655799 198365266 /nfs/dbraw/zinc/36/52/66/198365266.db2.gz ASKIYJOPALFYLA-CYBMUJFWSA-N 1 1 308.313 1.423 20 5 DDBDMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174732929 198377561 /nfs/dbraw/zinc/37/75/61/198377561.db2.gz LYTPRIKMITZHMW-MRXNPFEDSA-N 1 1 318.377 1.717 20 5 DDBDMO CCOc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000405744744 354679203 /nfs/dbraw/zinc/67/92/03/354679203.db2.gz ZXKFHATWCXWXTK-QWHCGFSZSA-N 1 1 307.350 1.249 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@H]2C1 ZINC000590010673 355040039 /nfs/dbraw/zinc/04/00/39/355040039.db2.gz OSRDJTJXTLYSJK-ABAIWWIYSA-N 1 1 319.361 1.597 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392170 355084177 /nfs/dbraw/zinc/08/41/77/355084177.db2.gz BVEIHAWJIBMFSP-UHFFFAOYSA-N 1 1 311.363 1.061 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590573553 355117352 /nfs/dbraw/zinc/11/73/52/355117352.db2.gz BPHVGQOIJOKFTG-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762147 355170115 /nfs/dbraw/zinc/17/01/15/355170115.db2.gz HYUMIZBGACTLRZ-ZWNOBZJWSA-N 1 1 323.349 1.387 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000591464148 355317363 /nfs/dbraw/zinc/31/73/63/355317363.db2.gz AVSXBHWGDRRQFX-SNVBAGLBSA-N 1 1 317.349 1.774 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCNC1CC1 ZINC000591577325 355330141 /nfs/dbraw/zinc/33/01/41/355330141.db2.gz PYJGXWIMAUFJFJ-NSHDSACASA-N 1 1 306.366 1.654 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594067151 356104683 /nfs/dbraw/zinc/10/46/83/356104683.db2.gz YOLPJMNJNNHWAY-JTQLQIEISA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594067151 356104687 /nfs/dbraw/zinc/10/46/87/356104687.db2.gz YOLPJMNJNNHWAY-JTQLQIEISA-N 1 1 323.349 1.387 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204725 356139164 /nfs/dbraw/zinc/13/91/64/356139164.db2.gz XSYHNFBNPQEGOI-NEPJUHHUSA-N 1 1 306.366 1.680 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594613780 356266183 /nfs/dbraw/zinc/26/61/83/356266183.db2.gz UORWFRXNXYLKQP-QIDGOZRWSA-N 1 1 317.389 1.749 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000595339545 356454727 /nfs/dbraw/zinc/45/47/27/356454727.db2.gz YHLPEDCALJQYKN-NSHDSACASA-N 1 1 305.338 1.689 20 5 DDBDMO CCO[C@H]1C[C@](CO)([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(C)C ZINC000595447080 356496851 /nfs/dbraw/zinc/49/68/51/356496851.db2.gz FTBFXJHVHYOBAN-SMDDNHRTSA-N 1 1 313.354 1.547 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CCO ZINC000595706886 356616824 /nfs/dbraw/zinc/61/68/24/356616824.db2.gz YEYWJSSLLYJQPZ-JSGCOSHPSA-N 1 1 309.366 1.239 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595728810 356624937 /nfs/dbraw/zinc/62/49/37/356624937.db2.gz PGGNRDWJKMDCQK-BXUZGUMPSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758427 356640126 /nfs/dbraw/zinc/64/01/26/356640126.db2.gz MYBJAFYYLDLOPZ-WWGRRREGSA-N 1 1 322.361 1.303 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000595860918 356681319 /nfs/dbraw/zinc/68/13/19/356681319.db2.gz NBEQAVFLSDIWMR-BZNIZROVSA-N 1 1 322.361 1.832 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867570 356684927 /nfs/dbraw/zinc/68/49/27/356684927.db2.gz OUZSTERCCBGRBX-QGZVFWFLSA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000596257490 356834933 /nfs/dbraw/zinc/83/49/33/356834933.db2.gz LFEYKXUUZSAYNM-SNVBAGLBSA-N 1 1 314.773 1.324 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596308412 356852670 /nfs/dbraw/zinc/85/26/70/356852670.db2.gz RUHOIJJSXNYRRL-GFCCVEGCSA-N 1 1 308.382 1.954 20 5 DDBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000596598799 356930039 /nfs/dbraw/zinc/93/00/39/356930039.db2.gz KSBBCAZKMKCOTJ-UHFFFAOYSA-N 1 1 318.381 1.609 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597792849 357331389 /nfs/dbraw/zinc/33/13/89/357331389.db2.gz BPAHLLCWJBFZRN-NSHDSACASA-N 1 1 323.349 1.141 20 5 DDBDMO COCCN1CCC[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597792849 357331392 /nfs/dbraw/zinc/33/13/92/357331392.db2.gz BPAHLLCWJBFZRN-NSHDSACASA-N 1 1 323.349 1.141 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597857376 357360480 /nfs/dbraw/zinc/36/04/80/357360480.db2.gz FRVXFSMESXVEAB-SNVBAGLBSA-N 1 1 306.366 1.780 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000597924423 357383433 /nfs/dbraw/zinc/38/34/33/357383433.db2.gz REYRUZZVKXTJLI-JTQLQIEISA-N 1 1 306.366 1.780 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342912 357545021 /nfs/dbraw/zinc/54/50/21/357545021.db2.gz OUHWMDXRELPQTR-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598747072 357713895 /nfs/dbraw/zinc/71/38/95/357713895.db2.gz VLLRTFUFDZCMRX-SECBINFHSA-N 1 1 308.338 1.298 20 5 DDBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CCC1 ZINC000599020584 357796359 /nfs/dbraw/zinc/79/63/59/357796359.db2.gz TXJJHQAACAKSSO-AWEZNQCLSA-N 1 1 307.325 1.977 20 5 DDBDMO CCOc1ccc([C@@H](C)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600710236 358290782 /nfs/dbraw/zinc/29/07/82/358290782.db2.gz MUAJAHXTJXTOAZ-YPMHNXCESA-N 1 1 309.366 1.633 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600809432 358320880 /nfs/dbraw/zinc/32/08/80/358320880.db2.gz YKIXVSXAOKRTAY-LBPRGKRZSA-N 1 1 307.350 1.008 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000276627920 213009882 /nfs/dbraw/zinc/00/98/82/213009882.db2.gz VRYGDUKREGRVPS-NEPJUHHUSA-N 1 1 320.349 1.815 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000348109422 283372847 /nfs/dbraw/zinc/37/28/47/283372847.db2.gz VLXMWIGSXGNZTM-MNOVXSKESA-N 1 1 304.354 1.556 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180953243 199232758 /nfs/dbraw/zinc/23/27/58/199232758.db2.gz NJLQXKIIBHPWMC-JTQLQIEISA-N 1 1 317.349 1.748 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601170141 358431355 /nfs/dbraw/zinc/43/13/55/358431355.db2.gz XFNKJUPXSGQBDI-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601170141 358431359 /nfs/dbraw/zinc/43/13/59/358431359.db2.gz XFNKJUPXSGQBDI-QMMMGPOBSA-N 1 1 321.303 1.878 20 5 DDBDMO CN(C[C@H]1COCCO1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601195015 358442334 /nfs/dbraw/zinc/44/23/34/358442334.db2.gz ZTHLFYBLSVYEBH-LBPRGKRZSA-N 1 1 303.318 1.995 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000601956532 358752811 /nfs/dbraw/zinc/75/28/11/358752811.db2.gz RUNLZTJFGASDIC-HOCLYGCPSA-N 1 1 308.378 1.939 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000601956532 358752814 /nfs/dbraw/zinc/75/28/14/358752814.db2.gz RUNLZTJFGASDIC-HOCLYGCPSA-N 1 1 308.378 1.939 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000601976983 358762748 /nfs/dbraw/zinc/76/27/48/358762748.db2.gz SFQHIDJEFSUMJK-BETUJISGSA-N 1 1 306.318 1.540 20 5 DDBDMO COc1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000602080587 358804064 /nfs/dbraw/zinc/80/40/64/358804064.db2.gz PYFUYWQILCYTSC-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO Cn1cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c([N+](=O)[O-])n1 ZINC000602483873 359008921 /nfs/dbraw/zinc/00/89/21/359008921.db2.gz JIBCWSIDEGHPHY-UHFFFAOYSA-N 1 1 321.381 1.305 20 5 DDBDMO CC(=O)NC1CCC([N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602606192 359069566 /nfs/dbraw/zinc/06/95/66/359069566.db2.gz BRJXBLPVZFWQQG-UHFFFAOYSA-N 1 1 309.370 1.207 20 5 DDBDMO Cn1cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602672280 359116719 /nfs/dbraw/zinc/11/67/19/359116719.db2.gz YFCDZFMKQWRNSF-AWEZNQCLSA-N 1 1 304.350 1.364 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602672280 359116726 /nfs/dbraw/zinc/11/67/26/359116726.db2.gz YFCDZFMKQWRNSF-AWEZNQCLSA-N 1 1 304.350 1.364 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CO)c1ccccc1 ZINC000602772816 359179732 /nfs/dbraw/zinc/17/97/32/359179732.db2.gz KTPUANCEKGVTNH-CQSZACIVSA-N 1 1 304.350 1.765 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000602866212 359250024 /nfs/dbraw/zinc/25/00/24/359250024.db2.gz NJJKSQKVQDDNGH-UHFFFAOYSA-N 1 1 316.365 1.073 20 5 DDBDMO CCOC(=O)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602873896 359257220 /nfs/dbraw/zinc/25/72/20/359257220.db2.gz TXKQMCQMMCLAIG-UHFFFAOYSA-N 1 1 312.370 1.763 20 5 DDBDMO C[C@]12C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602933462 359303487 /nfs/dbraw/zinc/30/34/87/359303487.db2.gz DGUOCFJVLKOXMI-GASCZTMLSA-N 1 1 321.308 1.219 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000602964530 359327883 /nfs/dbraw/zinc/32/78/83/359327883.db2.gz QZKMVBBUWMCDFW-GJZGRUSLSA-N 1 1 310.350 1.445 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964945 359328835 /nfs/dbraw/zinc/32/88/35/359328835.db2.gz WNRYUACUJOVMMJ-CZUORRHYSA-N 1 1 324.377 1.965 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997599 359345850 /nfs/dbraw/zinc/34/58/50/359345850.db2.gz NKDLRMNACFFHFG-MCIONIFRSA-N 1 1 308.382 1.725 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000603401263 359617883 /nfs/dbraw/zinc/61/78/83/359617883.db2.gz KPMNSPJOJHQTOA-NSHDSACASA-N 1 1 324.356 1.818 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000603417408 359627014 /nfs/dbraw/zinc/62/70/14/359627014.db2.gz YWZCXFVUXJBQHM-KBPBESRZSA-N 1 1 313.361 1.791 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186963124 200038886 /nfs/dbraw/zinc/03/88/86/200038886.db2.gz UGLQOHGLRDBMOI-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399723 360304516 /nfs/dbraw/zinc/30/45/16/360304516.db2.gz LPUNLAYTAOWHFE-AWEZNQCLSA-N 1 1 318.377 1.878 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCCOCC1 ZINC000609766439 360349701 /nfs/dbraw/zinc/34/97/01/360349701.db2.gz YPWOTSABSGARNR-UHFFFAOYSA-N 1 1 321.333 1.615 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359020301 299308334 /nfs/dbraw/zinc/30/83/34/299308334.db2.gz PUAGKZAOZTWVGH-NWDGAFQWSA-N 1 1 321.381 1.748 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000610240094 360395362 /nfs/dbraw/zinc/39/53/62/360395362.db2.gz VJKUAIPGGHSDKO-CQSZACIVSA-N 1 1 303.362 1.738 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCCO)C3CC3)n2)cc1 ZINC000609846142 360355439 /nfs/dbraw/zinc/35/54/39/360355439.db2.gz GPYOKIBBFQIEBI-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCCO)C3CC3)n2)cc1 ZINC000609846142 360355446 /nfs/dbraw/zinc/35/54/46/360355446.db2.gz GPYOKIBBFQIEBI-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180227 360652174 /nfs/dbraw/zinc/65/21/74/360652174.db2.gz VGILWVDWTVSJCA-CMPLNLGQSA-N 1 1 316.304 1.922 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087626 360618633 /nfs/dbraw/zinc/61/86/33/360618633.db2.gz ZIBMCHZCLUYAHO-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611242539 360676859 /nfs/dbraw/zinc/67/68/59/360676859.db2.gz SJOZWHXHZDQLTC-LLVKDONJSA-N 1 1 324.406 1.575 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000611515544 360743230 /nfs/dbraw/zinc/74/32/30/360743230.db2.gz DMYOAYTVTBFZNO-UHFFFAOYSA-N 1 1 313.379 1.185 20 5 DDBDMO Cc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000272021038 209391824 /nfs/dbraw/zinc/39/18/24/209391824.db2.gz VFZFEAOEQBGEPW-UHFFFAOYSA-N 1 1 304.350 1.477 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000612672347 361103082 /nfs/dbraw/zinc/10/30/82/361103082.db2.gz LHKKGOVDHHPYEF-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000612672347 361103085 /nfs/dbraw/zinc/10/30/85/361103085.db2.gz LHKKGOVDHHPYEF-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193574215 201078253 /nfs/dbraw/zinc/07/82/53/201078253.db2.gz QMGNXXBZDBUEON-LLVKDONJSA-N 1 1 308.338 1.300 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281577050 216394869 /nfs/dbraw/zinc/39/48/69/216394869.db2.gz BGJXDBRLCVATFV-UHFFFAOYSA-N 1 1 323.397 1.828 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000566004708 304109716 /nfs/dbraw/zinc/10/97/16/304109716.db2.gz ZLZDNVUVOHTBSX-GFCCVEGCSA-N 1 1 313.304 1.891 20 5 DDBDMO O=C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000359305287 299405772 /nfs/dbraw/zinc/40/57/72/299405772.db2.gz KTBHMENRKKTCNT-RYUDHWBXSA-N 1 1 304.350 1.075 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288285867 220063067 /nfs/dbraw/zinc/06/30/67/220063067.db2.gz GOGRYCBOZDYJQB-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288496021 220180530 /nfs/dbraw/zinc/18/05/30/220180530.db2.gz QAFYQCBWQHZQEH-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000267998218 206384886 /nfs/dbraw/zinc/38/48/86/206384886.db2.gz ULCWXUVLZJZGPS-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000106395774 194206474 /nfs/dbraw/zinc/20/64/74/194206474.db2.gz XNPRSZQIXZGPRD-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109805556 194287883 /nfs/dbraw/zinc/28/78/83/194287883.db2.gz IIJQUVHRQCYENK-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000109805556 194287885 /nfs/dbraw/zinc/28/78/85/194287885.db2.gz IIJQUVHRQCYENK-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCCO ZINC000109798664 194286974 /nfs/dbraw/zinc/28/69/74/194286974.db2.gz XWAHVHCTTCMLHH-UHFFFAOYSA-N 1 1 312.366 1.559 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCCO ZINC000109798664 194286975 /nfs/dbraw/zinc/28/69/75/194286975.db2.gz XWAHVHCTTCMLHH-UHFFFAOYSA-N 1 1 312.366 1.559 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC[N@H+](C)CCN(C)C)n1 ZINC000341043012 251352205 /nfs/dbraw/zinc/35/22/05/251352205.db2.gz IABZHJKXOQTEAW-UHFFFAOYSA-N 1 1 323.441 1.926 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCCN(C)CC[NH+](C)C)n1 ZINC000341043012 251352206 /nfs/dbraw/zinc/35/22/06/251352206.db2.gz IABZHJKXOQTEAW-UHFFFAOYSA-N 1 1 323.441 1.926 20 5 DDBDMO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269181810 207302334 /nfs/dbraw/zinc/30/23/34/207302334.db2.gz LMIFSYJITFLXRJ-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269181810 207302337 /nfs/dbraw/zinc/30/23/37/207302337.db2.gz LMIFSYJITFLXRJ-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000120202156 195118575 /nfs/dbraw/zinc/11/85/75/195118575.db2.gz XHRZIOTYENHYSJ-JSGCOSHPSA-N 1 1 304.354 1.571 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000261601220 285156544 /nfs/dbraw/zinc/15/65/44/285156544.db2.gz BQYOGVNNWLRYGZ-SECBINFHSA-N 1 1 317.342 1.154 20 5 DDBDMO CCOCCO[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000157625651 197202499 /nfs/dbraw/zinc/20/24/99/197202499.db2.gz FYOWEKCVPFTZSZ-HOTGVXAUSA-N 1 1 324.377 1.756 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419350880 533137360 /nfs/dbraw/zinc/13/73/60/533137360.db2.gz ZYWFAGMMRKAWIR-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419317803 533221337 /nfs/dbraw/zinc/22/13/37/533221337.db2.gz APMDUYWKCNIWBP-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451578802 533414686 /nfs/dbraw/zinc/41/46/86/533414686.db2.gz XRDYSKLTIYLPEE-GZBFAFLISA-N 1 1 324.377 1.691 20 5 DDBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000413511425 533491316 /nfs/dbraw/zinc/49/13/16/533491316.db2.gz ZPPXCCZZAOLRPI-LBPRGKRZSA-N 1 1 307.350 1.444 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330897375 533603998 /nfs/dbraw/zinc/60/39/98/533603998.db2.gz HLLLYKIXJRLJSP-NEPJUHHUSA-N 1 1 307.350 1.573 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC000193248246 292086567 /nfs/dbraw/zinc/08/65/67/292086567.db2.gz XCTHZPAETDCFRZ-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000125591342 292286476 /nfs/dbraw/zinc/28/64/76/292286476.db2.gz KIPGIZZTYXCTJP-CQSZACIVSA-N 1 1 320.393 1.847 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000073995422 406899202 /nfs/dbraw/zinc/89/92/02/406899202.db2.gz ACIMKQBBZOCNOL-OLZOCXBDSA-N 1 1 321.381 1.185 20 5 DDBDMO CO[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000076345962 406965406 /nfs/dbraw/zinc/96/54/06/406965406.db2.gz SRGIAYKIRHBLMQ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000076345962 406965408 /nfs/dbraw/zinc/96/54/08/406965408.db2.gz SRGIAYKIRHBLMQ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000075597180 406935753 /nfs/dbraw/zinc/93/57/53/406935753.db2.gz VWJMOCYLQUUBMO-CYBMUJFWSA-N 1 1 322.390 1.878 20 5 DDBDMO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075612008 406937396 /nfs/dbraw/zinc/93/73/96/406937396.db2.gz QQTRBHWTYFGOKQ-AAEUAGOBSA-N 1 1 305.338 1.031 20 5 DDBDMO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075612008 406937398 /nfs/dbraw/zinc/93/73/98/406937398.db2.gz QQTRBHWTYFGOKQ-AAEUAGOBSA-N 1 1 305.338 1.031 20 5 DDBDMO CNC(=O)c1ccc(NCC[N@@H+](C)CCCOC)c([N+](=O)[O-])c1 ZINC000078372757 407026044 /nfs/dbraw/zinc/02/60/44/407026044.db2.gz TYFVNIAAQDCIDY-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000046952149 407067252 /nfs/dbraw/zinc/06/72/52/407067252.db2.gz WKGPRRHWSMEWIA-NEPJUHHUSA-N 1 1 309.370 1.028 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066832296 407260461 /nfs/dbraw/zinc/26/04/61/407260461.db2.gz DWCNBGDYVBCNCA-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3CO)n2)cc1 ZINC000101546651 407310631 /nfs/dbraw/zinc/31/06/31/407310631.db2.gz KNONQHCFXOBTEJ-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3CO)n2)cc1 ZINC000101546651 407310633 /nfs/dbraw/zinc/31/06/33/407310633.db2.gz KNONQHCFXOBTEJ-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000125323735 407385350 /nfs/dbraw/zinc/38/53/50/407385350.db2.gz ANQPYLWKAOELEE-NSHDSACASA-N 1 1 309.370 1.132 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125224100 407381883 /nfs/dbraw/zinc/38/18/83/407381883.db2.gz IUDPJRCCILMRBC-KBPBESRZSA-N 1 1 319.409 1.960 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185820261 407512395 /nfs/dbraw/zinc/51/23/95/407512395.db2.gz QTDXWVQKRDJVPU-WCBMZHEXSA-N 1 1 306.322 1.050 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114063712 407539919 /nfs/dbraw/zinc/53/99/19/407539919.db2.gz JVBSHHDAPHXZRD-NSHDSACASA-N 1 1 323.349 1.299 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114063712 407539923 /nfs/dbraw/zinc/53/99/23/407539923.db2.gz JVBSHHDAPHXZRD-NSHDSACASA-N 1 1 323.349 1.299 20 5 DDBDMO CC(C)COC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132588054 407792943 /nfs/dbraw/zinc/79/29/43/407792943.db2.gz CVLDVYXBMWXZNX-INIZCTEOSA-N 1 1 308.378 1.986 20 5 DDBDMO CC(C)COC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132588054 407792947 /nfs/dbraw/zinc/79/29/47/407792947.db2.gz CVLDVYXBMWXZNX-INIZCTEOSA-N 1 1 308.378 1.986 20 5 DDBDMO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473363 407882385 /nfs/dbraw/zinc/88/23/85/407882385.db2.gz BROSCZJIYGSURI-RYUDHWBXSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473363 407882389 /nfs/dbraw/zinc/88/23/89/407882389.db2.gz BROSCZJIYGSURI-RYUDHWBXSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826162 407950686 /nfs/dbraw/zinc/95/06/86/407950686.db2.gz FDAKXGZFGYJZFM-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CCCCNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866835 407959560 /nfs/dbraw/zinc/95/95/60/407959560.db2.gz KUJVCEGPNNCLGJ-GFCCVEGCSA-N 1 1 321.381 1.392 20 5 DDBDMO CCCCNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866835 407959566 /nfs/dbraw/zinc/95/95/66/407959566.db2.gz KUJVCEGPNNCLGJ-GFCCVEGCSA-N 1 1 321.381 1.392 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268162941 407923532 /nfs/dbraw/zinc/92/35/32/407923532.db2.gz ILSBHFSSDNCDSJ-ZWNOBZJWSA-N 1 1 319.361 1.816 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154218847 407996666 /nfs/dbraw/zinc/99/66/66/407996666.db2.gz UOCAXOXNHFMONH-JSGCOSHPSA-N 1 1 307.350 1.086 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155588014 408182871 /nfs/dbraw/zinc/18/28/71/408182871.db2.gz QKPAAGLLYACPRG-UHFFFAOYSA-N 1 1 315.395 1.522 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC000190428057 408242174 /nfs/dbraw/zinc/24/21/74/408242174.db2.gz SCVZYNANTSOCBN-UHFFFAOYSA-N 1 1 307.350 1.690 20 5 DDBDMO CSCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151155711 408266372 /nfs/dbraw/zinc/26/63/72/408266372.db2.gz VGJZMZOSDGGPAH-LBPRGKRZSA-N 1 1 300.380 1.629 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000263711205 408217992 /nfs/dbraw/zinc/21/79/92/408217992.db2.gz NECWVKLFSBMANW-SECBINFHSA-N 1 1 307.306 1.604 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000263711205 408217994 /nfs/dbraw/zinc/21/79/94/408217994.db2.gz NECWVKLFSBMANW-SECBINFHSA-N 1 1 307.306 1.604 20 5 DDBDMO C[N@H+]1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000264037778 408351964 /nfs/dbraw/zinc/35/19/64/408351964.db2.gz BFYGFRZCPLXPQT-UHFFFAOYSA-N 1 1 316.361 1.714 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000172922443 162312716 /nfs/dbraw/zinc/31/27/16/162312716.db2.gz DRCQEFZHQBDPRW-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cn1cncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177083837 408514861 /nfs/dbraw/zinc/51/48/61/408514861.db2.gz BATSCCLIMIDISV-NSHDSACASA-N 1 1 302.338 1.410 20 5 DDBDMO Cn1cncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177083837 408514864 /nfs/dbraw/zinc/51/48/64/408514864.db2.gz BATSCCLIMIDISV-NSHDSACASA-N 1 1 302.338 1.410 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248344808 408550130 /nfs/dbraw/zinc/55/01/30/408550130.db2.gz MASKDINFEUFIKL-BMIGLBTASA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248344808 408550136 /nfs/dbraw/zinc/55/01/36/408550136.db2.gz MASKDINFEUFIKL-BMIGLBTASA-N 1 1 323.349 1.387 20 5 DDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000265186355 408573645 /nfs/dbraw/zinc/57/36/45/408573645.db2.gz GBDPJRBPPBUQKH-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000248462285 408573924 /nfs/dbraw/zinc/57/39/24/408573924.db2.gz PTSJNEOHNTWFTD-UONOGXRCSA-N 1 1 324.377 1.693 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCO)CC3)nc2c1 ZINC000274797946 408535188 /nfs/dbraw/zinc/53/51/88/408535188.db2.gz DPTQOSTVNDJNLS-UHFFFAOYSA-N 1 1 319.365 1.366 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000192795138 408649884 /nfs/dbraw/zinc/64/98/84/408649884.db2.gz OHIPZHYPJABUSW-NWDGAFQWSA-N 1 1 309.366 1.495 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000270900181 408731703 /nfs/dbraw/zinc/73/17/03/408731703.db2.gz MKEAOHQIRUNWSD-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO CN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265505784 408674867 /nfs/dbraw/zinc/67/48/67/408674867.db2.gz JISRLFJHXDZYBD-UHFFFAOYSA-N 1 1 313.789 1.693 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177980367 408750385 /nfs/dbraw/zinc/75/03/85/408750385.db2.gz GQFVRRIOOBUKTL-OAHLLOKOSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@H]1C(=O)NCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189288571 163093022 /nfs/dbraw/zinc/09/30/22/163093022.db2.gz WTVBNGWAVQMUIL-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000190926518 163164598 /nfs/dbraw/zinc/16/45/98/163164598.db2.gz AWVJWLBRHGXFAU-TYNCELHUSA-N 1 1 319.361 1.260 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000292029949 408966672 /nfs/dbraw/zinc/96/66/72/408966672.db2.gz YXOYRLFQRUVPPV-LLVKDONJSA-N 1 1 316.304 1.923 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000292029949 408966673 /nfs/dbraw/zinc/96/66/73/408966673.db2.gz YXOYRLFQRUVPPV-LLVKDONJSA-N 1 1 316.304 1.923 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1(CO)CCC1 ZINC000292081881 408977476 /nfs/dbraw/zinc/97/74/76/408977476.db2.gz FWJGLIOOHGKMMN-UHFFFAOYSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@@H]1Cc2[nH+]cn(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2C[C@H]1C ZINC000295067197 409312296 /nfs/dbraw/zinc/31/22/96/409312296.db2.gz CGWUPRPRYITLLO-NQBHXWOUSA-N 1 1 319.365 1.420 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296094282 409426638 /nfs/dbraw/zinc/42/66/38/409426638.db2.gz DEEQKEVEFOYANT-MRXNPFEDSA-N 1 1 322.361 1.649 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000290537588 409436095 /nfs/dbraw/zinc/43/60/95/409436095.db2.gz DTQIQFVJXBSAIV-MRXNPFEDSA-N 1 1 316.361 1.913 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1C(=O)CCC1=O ZINC000285449341 409449991 /nfs/dbraw/zinc/44/99/91/409449991.db2.gz YJNIOMNYZAZTML-UHFFFAOYSA-N 1 1 305.334 1.218 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000354080688 409635327 /nfs/dbraw/zinc/63/53/27/409635327.db2.gz WVVQOHZKOIOJKM-CYBMUJFWSA-N 1 1 318.377 1.627 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](c2ccccc2)C1 ZINC000354521308 409915012 /nfs/dbraw/zinc/91/50/12/409915012.db2.gz NHZDAZDFWUSWHK-DGCLKSJQSA-N 1 1 315.333 1.146 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000338419293 409971900 /nfs/dbraw/zinc/97/19/00/409971900.db2.gz LTUBMUNATQXNQT-UHFFFAOYSA-N 1 1 308.382 1.853 20 5 DDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332215415 409987302 /nfs/dbraw/zinc/98/73/02/409987302.db2.gz WPRQSTJYAHDYLW-SDBXPKJASA-N 1 1 303.322 1.085 20 5 DDBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCOC ZINC000346659759 410065022 /nfs/dbraw/zinc/06/50/22/410065022.db2.gz RILQGZCMTBFTIG-GFCCVEGCSA-N 1 1 311.386 1.265 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687670 410084006 /nfs/dbraw/zinc/08/40/06/410084006.db2.gz MIAQHRZRLVQGLS-YWPYICTPSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687670 410084009 /nfs/dbraw/zinc/08/40/09/410084009.db2.gz MIAQHRZRLVQGLS-YWPYICTPSA-N 1 1 319.361 1.689 20 5 DDBDMO Cn1cc(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000298046117 410090947 /nfs/dbraw/zinc/09/09/47/410090947.db2.gz IAHKAJSTHLJKKH-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351774283 410224409 /nfs/dbraw/zinc/22/44/09/410224409.db2.gz LHMUFKMPQXOKHC-BFVZDQMLSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351774283 410224415 /nfs/dbraw/zinc/22/44/15/410224415.db2.gz LHMUFKMPQXOKHC-BFVZDQMLSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351945778 410356124 /nfs/dbraw/zinc/35/61/24/410356124.db2.gz ULEJACICEDUGJC-ZWNOBZJWSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CC[N@@H+](C)C1CC1 ZINC000351962455 410376095 /nfs/dbraw/zinc/37/60/95/410376095.db2.gz WYLMOBUAXRUMGH-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299069159 410505643 /nfs/dbraw/zinc/50/56/43/410505643.db2.gz OISGJUWUXRNRDP-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](C)O ZINC000352228776 410562232 /nfs/dbraw/zinc/56/22/32/410562232.db2.gz AMZOYGGQZDGMSG-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](C)O ZINC000352228776 410562238 /nfs/dbraw/zinc/56/22/38/410562238.db2.gz AMZOYGGQZDGMSG-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000301117294 410657850 /nfs/dbraw/zinc/65/78/50/410657850.db2.gz WWHHFCPAILHPDO-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000330449418 410700334 /nfs/dbraw/zinc/70/03/34/410700334.db2.gz HMMUDEHGXFNEKA-GFCCVEGCSA-N 1 1 323.393 1.577 20 5 DDBDMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000330449418 410700339 /nfs/dbraw/zinc/70/03/39/410700339.db2.gz HMMUDEHGXFNEKA-GFCCVEGCSA-N 1 1 323.393 1.577 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(F)c1 ZINC000340167638 410722069 /nfs/dbraw/zinc/72/20/69/410722069.db2.gz YEIMIXXAUPVWLF-UHFFFAOYSA-N 1 1 317.342 1.108 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507759 410733222 /nfs/dbraw/zinc/73/32/22/410733222.db2.gz HMLKTWVJQWVXJL-CHWSQXEVSA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000337476469 410815302 /nfs/dbraw/zinc/81/53/02/410815302.db2.gz SJWHAPYXTZMOCF-RYUDHWBXSA-N 1 1 307.350 1.484 20 5 DDBDMO Cc1nc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301662801 410765603 /nfs/dbraw/zinc/76/56/03/410765603.db2.gz NDSWHYVPUMRNEH-UONOGXRCSA-N 1 1 320.393 1.724 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330647658 410847287 /nfs/dbraw/zinc/84/72/87/410847287.db2.gz ZRWQHQLOOIBENL-VXGBXAGGSA-N 1 1 307.350 1.525 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1C ZINC000330664888 410858487 /nfs/dbraw/zinc/85/84/87/410858487.db2.gz GSBIUPYNXNFQJF-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302778193 410864103 /nfs/dbraw/zinc/86/41/03/410864103.db2.gz PWKIKCVIFNWDOR-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330673182 410867099 /nfs/dbraw/zinc/86/70/99/410867099.db2.gz OZALNYGVSJDJGQ-NSHDSACASA-N 1 1 323.349 1.145 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330673182 410867106 /nfs/dbraw/zinc/86/71/06/410867106.db2.gz OZALNYGVSJDJGQ-NSHDSACASA-N 1 1 323.349 1.145 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)nc2c1 ZINC000344041291 410914645 /nfs/dbraw/zinc/91/46/45/410914645.db2.gz IEIFVKSIBZPONF-UFGOTCBOSA-N 1 1 303.318 1.939 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133175 410978975 /nfs/dbraw/zinc/97/89/75/410978975.db2.gz PVXWHSINWAOKJG-HZSPNIEDSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344143397 410987611 /nfs/dbraw/zinc/98/76/11/410987611.db2.gz BQBAGPBVVZNXQB-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344143397 410987619 /nfs/dbraw/zinc/98/76/19/410987619.db2.gz BQBAGPBVVZNXQB-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356464312 411042898 /nfs/dbraw/zinc/04/28/98/411042898.db2.gz JQELRXYHYOSWSK-LLVKDONJSA-N 1 1 309.370 1.323 20 5 DDBDMO Cc1cccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134118046 196363933 /nfs/dbraw/zinc/36/39/33/196363933.db2.gz PYYZBSGCPCZVKS-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000366908553 418534768 /nfs/dbraw/zinc/53/47/68/418534768.db2.gz DKOHKXVIYFDQCA-HUUCEWRRSA-N 1 1 319.361 1.574 20 5 DDBDMO CNc1c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360937555 418550785 /nfs/dbraw/zinc/55/07/85/418550785.db2.gz LPROCLPFMDMKRS-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360937555 418550788 /nfs/dbraw/zinc/55/07/88/418550788.db2.gz LPROCLPFMDMKRS-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195506416 222203921 /nfs/dbraw/zinc/20/39/21/222203921.db2.gz DVYBRKMCUOAFOQ-SNVBAGLBSA-N 1 1 300.384 1.820 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195506416 222203922 /nfs/dbraw/zinc/20/39/22/222203922.db2.gz DVYBRKMCUOAFOQ-SNVBAGLBSA-N 1 1 300.384 1.820 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291190123 222208142 /nfs/dbraw/zinc/20/81/42/222208142.db2.gz SRLAKKSUEBRMHP-SNVBAGLBSA-N 1 1 309.370 1.621 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375053031 418596226 /nfs/dbraw/zinc/59/62/26/418596226.db2.gz DWUBOMYXJFZFGQ-ZFWWWQNUSA-N 1 1 303.362 1.690 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414272 418648502 /nfs/dbraw/zinc/64/85/02/418648502.db2.gz ILSFYHKNTIMSRU-SMDDNHRTSA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000375316547 418627559 /nfs/dbraw/zinc/62/75/59/418627559.db2.gz DRSMKMMDGJHUDN-ZDUSSCGKSA-N 1 1 303.322 1.512 20 5 DDBDMO CCn1cc(CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000375726087 418677412 /nfs/dbraw/zinc/67/74/12/418677412.db2.gz GMYGQDAHZAFVSA-AWEZNQCLSA-N 1 1 318.381 1.887 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000361580000 418684711 /nfs/dbraw/zinc/68/47/11/418684711.db2.gz YYCPUOZZICZWPF-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000361580000 418684714 /nfs/dbraw/zinc/68/47/14/418684714.db2.gz YYCPUOZZICZWPF-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583631 418686659 /nfs/dbraw/zinc/68/66/59/418686659.db2.gz LPGOJQURIIQLMF-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000361662031 418697034 /nfs/dbraw/zinc/69/70/34/418697034.db2.gz PFSWXKMPMJJOFV-JQWIXIFHSA-N 1 1 310.350 1.672 20 5 DDBDMO Cn1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707615 418699679 /nfs/dbraw/zinc/69/96/79/418699679.db2.gz WMAVSOZLDNEYQR-RYUDHWBXSA-N 1 1 306.366 1.490 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000362061350 418746250 /nfs/dbraw/zinc/74/62/50/418746250.db2.gz AWVJWLBRHGXFAU-JMSVASOKSA-N 1 1 319.361 1.260 20 5 DDBDMO Cc1cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000364922268 418823065 /nfs/dbraw/zinc/82/30/65/418823065.db2.gz MQEUVYRMDRSAOZ-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290151 418852224 /nfs/dbraw/zinc/85/22/24/418852224.db2.gz VRYMMDBOGHEVIL-CHWSQXEVSA-N 1 1 323.397 1.589 20 5 DDBDMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290151 418852226 /nfs/dbraw/zinc/85/22/26/418852226.db2.gz VRYMMDBOGHEVIL-CHWSQXEVSA-N 1 1 323.397 1.589 20 5 DDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411153224 418874119 /nfs/dbraw/zinc/87/41/19/418874119.db2.gz IESOLRNITRKAHF-CYBMUJFWSA-N 1 1 320.349 1.263 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788097 418902476 /nfs/dbraw/zinc/90/24/76/418902476.db2.gz TXJCABZQDQUKNR-XHDPSFHLSA-N 1 1 321.381 1.614 20 5 DDBDMO COCC(COC)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000411859319 419441682 /nfs/dbraw/zinc/44/16/82/419441682.db2.gz KELKEWFUCPQDAB-UHFFFAOYSA-N 1 1 323.393 1.374 20 5 DDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000421011088 419449327 /nfs/dbraw/zinc/44/93/27/419449327.db2.gz RSQCCCUXZSVORW-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011088 419449338 /nfs/dbraw/zinc/44/93/38/419449338.db2.gz RSQCCCUXZSVORW-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011088 419449347 /nfs/dbraw/zinc/44/93/47/419449347.db2.gz RSQCCCUXZSVORW-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000299293157 229033083 /nfs/dbraw/zinc/03/30/83/229033083.db2.gz KVLSOTTXTCJKNJ-NEPJUHHUSA-N 1 1 323.397 1.336 20 5 DDBDMO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430922429 420206697 /nfs/dbraw/zinc/20/66/97/420206697.db2.gz AGVAOLMMIBAMFG-RYUDHWBXSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303858 420320651 /nfs/dbraw/zinc/32/06/51/420320651.db2.gz HMXGOVLBYDOHJA-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420740718 420374683 /nfs/dbraw/zinc/37/46/83/420374683.db2.gz RVLJXDFMYDXACA-GFCCVEGCSA-N 1 1 313.379 1.310 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416496927 420395581 /nfs/dbraw/zinc/39/55/81/420395581.db2.gz RJGVDSLQRXMUDW-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000446048742 230220176 /nfs/dbraw/zinc/22/01/76/230220176.db2.gz VXWPDXRZHYJRLF-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000457092333 420609276 /nfs/dbraw/zinc/60/92/76/420609276.db2.gz XIGCBLCKNDSHMI-ZDUSSCGKSA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450953399 420569296 /nfs/dbraw/zinc/56/92/96/420569296.db2.gz KSILNOSYEAUHGU-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492626801 420610496 /nfs/dbraw/zinc/61/04/96/420610496.db2.gz ZPGWGILPUQLABY-FPLPWBNLSA-N 1 1 307.350 1.038 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442309770 420678896 /nfs/dbraw/zinc/67/88/96/420678896.db2.gz UDOXXMQARJQSRQ-QWRGUYRKSA-N 1 1 320.349 1.084 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442309770 420678901 /nfs/dbraw/zinc/67/89/01/420678901.db2.gz UDOXXMQARJQSRQ-QWRGUYRKSA-N 1 1 320.349 1.084 20 5 DDBDMO CCOC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706767 420852696 /nfs/dbraw/zinc/85/26/96/420852696.db2.gz JEAHJLPCSPMOSU-JSGCOSHPSA-N 1 1 312.370 1.043 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000493524282 420872915 /nfs/dbraw/zinc/87/29/15/420872915.db2.gz OYGBROONABWOPQ-MOEUOMFESA-N 1 1 319.336 1.910 20 5 DDBDMO C[C@H](C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000459810178 420879950 /nfs/dbraw/zinc/87/99/50/420879950.db2.gz PZORAKJDBIUKFV-LLVKDONJSA-N 1 1 312.370 1.701 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000454570944 420884866 /nfs/dbraw/zinc/88/48/66/420884866.db2.gz DYKDRLVYYJBRJR-HIFRSBDPSA-N 1 1 318.377 1.483 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000454790630 420925177 /nfs/dbraw/zinc/92/51/77/420925177.db2.gz CSQSASTUJPHKQR-MNOVXSKESA-N 1 1 319.365 1.388 20 5 DDBDMO CNc1nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456026296 421091056 /nfs/dbraw/zinc/09/10/56/421091056.db2.gz WZIYGHJULSACPS-UWVGGRQHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456026296 421091058 /nfs/dbraw/zinc/09/10/58/421091058.db2.gz WZIYGHJULSACPS-UWVGGRQHSA-N 1 1 307.354 1.196 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717126 421107335 /nfs/dbraw/zinc/10/73/35/421107335.db2.gz KGBTXMSTHOJIKE-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450305626 421179576 /nfs/dbraw/zinc/17/95/76/421179576.db2.gz AXQOTBOCMYUPKD-GFCCVEGCSA-N 1 1 319.365 1.416 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000560452886 421266849 /nfs/dbraw/zinc/26/68/49/421266849.db2.gz NCDPRYZFZFRTIE-UHFFFAOYSA-N 1 1 318.377 1.938 20 5 DDBDMO CCOC(=O)COCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562036749 421340512 /nfs/dbraw/zinc/34/05/12/421340512.db2.gz NMWSLOHKRIKPTF-UHFFFAOYSA-N 1 1 308.334 1.533 20 5 DDBDMO CCOC(=O)COCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562036749 421340514 /nfs/dbraw/zinc/34/05/14/421340514.db2.gz NMWSLOHKRIKPTF-UHFFFAOYSA-N 1 1 308.334 1.533 20 5 DDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000497293697 421402783 /nfs/dbraw/zinc/40/27/83/421402783.db2.gz AMIBHPJJIUYUTH-GFCCVEGCSA-N 1 1 305.334 1.869 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548714448 421466018 /nfs/dbraw/zinc/46/60/18/421466018.db2.gz JUGKHPHISIVVFY-LLVKDONJSA-N 1 1 321.381 1.280 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000577076014 422381075 /nfs/dbraw/zinc/38/10/75/422381075.db2.gz AUGBPNDDGOJNLL-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000577076014 422381082 /nfs/dbraw/zinc/38/10/82/422381082.db2.gz AUGBPNDDGOJNLL-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000341847520 271221242 /nfs/dbraw/zinc/22/12/42/271221242.db2.gz XYORYLQZPCGIJR-JTQLQIEISA-N 1 1 320.349 1.733 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345933149 272369165 /nfs/dbraw/zinc/36/91/65/272369165.db2.gz AJOUXZLKUHILBL-RYUDHWBXSA-N 1 1 309.370 1.123 20 5 DDBDMO COCC[NH+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000121345169 274030540 /nfs/dbraw/zinc/03/05/40/274030540.db2.gz DCKJJOAAFQEEIB-UHFFFAOYSA-N 1 1 313.329 1.511 20 5 DDBDMO CCC[N@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000302791605 276006126 /nfs/dbraw/zinc/00/61/26/276006126.db2.gz YVKRSYVHGKEBJY-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000408404817 277131028 /nfs/dbraw/zinc/13/10/28/277131028.db2.gz JWRRITFUDABSQC-KBPBESRZSA-N 1 1 304.350 1.082 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000294031677 290187306 /nfs/dbraw/zinc/18/73/06/290187306.db2.gz ZWHBSYHXYCVVBH-OAHLLOKOSA-N 1 1 304.350 1.345 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124900 300215438 /nfs/dbraw/zinc/21/54/38/300215438.db2.gz DHMOEQNNMWIJQT-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124900 300215440 /nfs/dbraw/zinc/21/54/40/300215440.db2.gz DHMOEQNNMWIJQT-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124900 300215442 /nfs/dbraw/zinc/21/54/42/300215442.db2.gz DHMOEQNNMWIJQT-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC000363171561 300225996 /nfs/dbraw/zinc/22/59/96/300225996.db2.gz ZSEVUGJGSZWQSE-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000363171561 300225999 /nfs/dbraw/zinc/22/59/99/300225999.db2.gz ZSEVUGJGSZWQSE-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000363171561 300226001 /nfs/dbraw/zinc/22/60/01/300226001.db2.gz ZSEVUGJGSZWQSE-GFCCVEGCSA-N 1 1 304.354 1.702 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363304924 300248035 /nfs/dbraw/zinc/24/80/35/300248035.db2.gz MBOLJWVVDLJXAC-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363304924 300248036 /nfs/dbraw/zinc/24/80/36/300248036.db2.gz MBOLJWVVDLJXAC-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363304924 300248039 /nfs/dbraw/zinc/24/80/39/300248039.db2.gz MBOLJWVVDLJXAC-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364020017 300335415 /nfs/dbraw/zinc/33/54/15/300335415.db2.gz XKXIWJXPHMZODY-VXGBXAGGSA-N 1 1 319.361 1.960 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364457668 300399850 /nfs/dbraw/zinc/39/98/50/300399850.db2.gz ORULYDCSLJEWTM-KGLIPLIRSA-N 1 1 307.350 1.368 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368349415 301008187 /nfs/dbraw/zinc/00/81/87/301008187.db2.gz RPMWBJHMAZTQPZ-HNNXBMFYSA-N 1 1 304.350 1.466 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497262 301040985 /nfs/dbraw/zinc/04/09/85/301040985.db2.gz XBSQUIIMJXFIBB-QKPAOTATSA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497262 301040986 /nfs/dbraw/zinc/04/09/86/301040986.db2.gz XBSQUIIMJXFIBB-QKPAOTATSA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497262 301040988 /nfs/dbraw/zinc/04/09/88/301040988.db2.gz XBSQUIIMJXFIBB-QKPAOTATSA-N 1 1 317.389 1.851 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587547 301058675 /nfs/dbraw/zinc/05/86/75/301058675.db2.gz DACMUPGTYLDVJN-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587547 301058676 /nfs/dbraw/zinc/05/86/76/301058676.db2.gz DACMUPGTYLDVJN-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000368587547 301058677 /nfs/dbraw/zinc/05/86/77/301058677.db2.gz DACMUPGTYLDVJN-MWLCHTKSSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1nc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370029642 301261726 /nfs/dbraw/zinc/26/17/26/301261726.db2.gz SZGUAIKBYDWTAG-NSHDSACASA-N 1 1 320.353 1.616 20 5 DDBDMO CCc1nc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370029642 301261728 /nfs/dbraw/zinc/26/17/28/301261728.db2.gz SZGUAIKBYDWTAG-NSHDSACASA-N 1 1 320.353 1.616 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)n1 ZINC000368632496 307106745 /nfs/dbraw/zinc/10/67/45/307106745.db2.gz NHEJXEFCZAXYGV-AWEZNQCLSA-N 1 1 301.350 1.751 20 5 DDBDMO O=C1NC[C@]2(CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034073 307114777 /nfs/dbraw/zinc/11/47/77/307114777.db2.gz CIDVDKFTDUXVSS-ZFWWWQNUSA-N 1 1 321.333 1.203 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034073 307114778 /nfs/dbraw/zinc/11/47/78/307114778.db2.gz CIDVDKFTDUXVSS-ZFWWWQNUSA-N 1 1 321.333 1.203 20 5 DDBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372737044 307174110 /nfs/dbraw/zinc/17/41/10/307174110.db2.gz CTUOIWSJGGSPOE-CYBMUJFWSA-N 1 1 304.354 1.670 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000584300310 332230170 /nfs/dbraw/zinc/23/01/70/332230170.db2.gz NMOZXNXUBJFUFD-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1C ZINC000487986704 484212306 /nfs/dbraw/zinc/21/23/06/484212306.db2.gz JZFOEXLZWYEGIN-DZGCQCFKSA-N 1 1 323.393 1.894 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736787 484217337 /nfs/dbraw/zinc/21/73/37/484217337.db2.gz QYWDMGOFQQFENW-UPJWGTAASA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562999885 484330034 /nfs/dbraw/zinc/33/00/34/484330034.db2.gz PBKWMRLMNOMGSE-UHFFFAOYSA-N 1 1 300.318 1.685 20 5 DDBDMO COc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419344559 533826889 /nfs/dbraw/zinc/82/68/89/533826889.db2.gz SAOSHEOHHYWYNH-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc2ncccn2n1 ZINC000414259989 534254228 /nfs/dbraw/zinc/25/42/28/534254228.db2.gz AOZZRSFDESFNTM-NSHDSACASA-N 1 1 312.333 1.753 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000330832858 527750590 /nfs/dbraw/zinc/75/05/90/527750590.db2.gz VKJCIBVOVSVOEE-ZWNOBZJWSA-N 1 1 321.381 1.374 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000331744403 528549661 /nfs/dbraw/zinc/54/96/61/528549661.db2.gz YFZFDLCICWNKPK-CMPLNLGQSA-N 1 1 321.381 1.627 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262257 529339018 /nfs/dbraw/zinc/33/90/18/529339018.db2.gz XDLNEBYOZMHOHR-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262257 529339019 /nfs/dbraw/zinc/33/90/19/529339019.db2.gz XDLNEBYOZMHOHR-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824860759 608197295 /nfs/dbraw/zinc/19/72/95/608197295.db2.gz XSOQJIDPFURYPR-NXEZZACHSA-N 1 1 317.353 1.304 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824994181 608554789 /nfs/dbraw/zinc/55/47/89/608554789.db2.gz UBYRWGVADQRACN-UWVGGRQHSA-N 1 1 317.353 1.304 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122592403 696723606 /nfs/dbraw/zinc/72/36/06/696723606.db2.gz QXUHNIGBYNJVIV-CHWSQXEVSA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122592403 696723607 /nfs/dbraw/zinc/72/36/07/696723607.db2.gz QXUHNIGBYNJVIV-CHWSQXEVSA-N 1 1 323.397 1.766 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000798214824 700050573 /nfs/dbraw/zinc/05/05/73/700050573.db2.gz NYENSXXZIXODLQ-UHFFFAOYSA-N 1 1 321.312 1.792 20 5 DDBDMO C[N@H+](C[C@H]1CCCOC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000107672345 696631604 /nfs/dbraw/zinc/63/16/04/696631604.db2.gz DBIMZUJLVLFSJQ-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000107672345 696631606 /nfs/dbraw/zinc/63/16/06/696631606.db2.gz DBIMZUJLVLFSJQ-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(C(F)F)c1 ZINC000111291768 696643322 /nfs/dbraw/zinc/64/33/22/696643322.db2.gz VTHWJUHZRPIMGF-UHFFFAOYSA-N 1 1 301.293 1.647 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000748351299 700112729 /nfs/dbraw/zinc/11/27/29/700112729.db2.gz SUJBOSKCRRXZQX-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000748351299 700112732 /nfs/dbraw/zinc/11/27/32/700112732.db2.gz SUJBOSKCRRXZQX-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO Cc1c(CC(=O)OCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000748474094 700120555 /nfs/dbraw/zinc/12/05/55/700120555.db2.gz KZCCUEZBRGAUDI-UHFFFAOYSA-N 1 1 322.361 1.711 20 5 DDBDMO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278807 697082304 /nfs/dbraw/zinc/08/23/04/697082304.db2.gz RQGVWKXCTQXFTL-SRABZTEZSA-N 1 1 323.437 1.868 20 5 DDBDMO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278807 697082305 /nfs/dbraw/zinc/08/23/05/697082305.db2.gz RQGVWKXCTQXFTL-SRABZTEZSA-N 1 1 323.437 1.868 20 5 DDBDMO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278807 697082307 /nfs/dbraw/zinc/08/23/07/697082307.db2.gz RQGVWKXCTQXFTL-SRABZTEZSA-N 1 1 323.437 1.868 20 5 DDBDMO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000983649822 697286524 /nfs/dbraw/zinc/28/65/24/697286524.db2.gz SIWBVNSPXLLBFA-KLHDSHLOSA-N 1 1 317.389 1.645 20 5 DDBDMO CCn1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749691071 700177808 /nfs/dbraw/zinc/17/78/08/700177808.db2.gz PCELMWDULYIJQR-OAHLLOKOSA-N 1 1 304.350 1.977 20 5 DDBDMO CN1CCC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000778931832 698383757 /nfs/dbraw/zinc/38/37/57/698383757.db2.gz FMUUALWEBLHSFW-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000779708790 698455114 /nfs/dbraw/zinc/45/51/14/698455114.db2.gz XYWHYOGIKJSHCV-VXGBXAGGSA-N 1 1 319.365 1.134 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782614831 698751082 /nfs/dbraw/zinc/75/10/82/698751082.db2.gz GLIRPRSPKXWYMV-BLLLJJGKSA-N 1 1 319.361 1.546 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000783918779 698892764 /nfs/dbraw/zinc/89/27/64/698892764.db2.gz LVVCVCXTKRQZSF-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CO[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@@H]1C ZINC000783969073 698896279 /nfs/dbraw/zinc/89/62/79/698896279.db2.gz RYPGQAHNVPSBMJ-IINYFYTJSA-N 1 1 319.365 1.962 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@@H]1C ZINC000783969073 698896284 /nfs/dbraw/zinc/89/62/84/698896284.db2.gz RYPGQAHNVPSBMJ-IINYFYTJSA-N 1 1 319.365 1.962 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329726 699206056 /nfs/dbraw/zinc/20/60/56/699206056.db2.gz DEYFIXNZNRPAFU-NGFQHRJXSA-N 1 1 319.361 1.214 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000788381824 699310352 /nfs/dbraw/zinc/31/03/52/699310352.db2.gz IFTHJMYXEBRBSU-OAHLLOKOSA-N 1 1 315.333 1.114 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000793769385 699778183 /nfs/dbraw/zinc/77/81/83/699778183.db2.gz UQYIOSDELHWCJZ-MRXNPFEDSA-N 1 1 315.377 1.930 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)CO ZINC000794693900 699824787 /nfs/dbraw/zinc/82/47/87/699824787.db2.gz XDUWAXZOVHTFBD-SNVBAGLBSA-N 1 1 313.329 1.765 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801854263 700346331 /nfs/dbraw/zinc/34/63/31/700346331.db2.gz GBPGYDDJDXILGI-JTQLQIEISA-N 1 1 324.356 1.776 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801934918 700357322 /nfs/dbraw/zinc/35/73/22/700357322.db2.gz SSQPQBGYBXLIFK-UWVGGRQHSA-N 1 1 324.356 1.871 20 5 DDBDMO O=C1OCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000753842972 700461603 /nfs/dbraw/zinc/46/16/03/700461603.db2.gz OIGDRSULLQYKKY-LBPRGKRZSA-N 1 1 320.349 1.065 20 5 DDBDMO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809570844 701670490 /nfs/dbraw/zinc/67/04/90/701670490.db2.gz CARMAPRRGRHETE-HNNXBMFYSA-N 1 1 307.350 1.057 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000762816614 700908321 /nfs/dbraw/zinc/90/83/21/700908321.db2.gz RUNVJAVKSHJRHW-CYBMUJFWSA-N 1 1 308.363 1.683 20 5 DDBDMO C[N@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000840013923 701912458 /nfs/dbraw/zinc/91/24/58/701912458.db2.gz VXPJRCVZIAXQED-OAHLLOKOSA-N 1 1 305.334 1.974 20 5 DDBDMO C[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000840013923 701912461 /nfs/dbraw/zinc/91/24/61/701912461.db2.gz VXPJRCVZIAXQED-OAHLLOKOSA-N 1 1 305.334 1.974 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000868075531 701927348 /nfs/dbraw/zinc/92/73/48/701927348.db2.gz KXLFDLNUDGUOPQ-HIFRSBDPSA-N 1 1 318.377 1.830 20 5 DDBDMO CC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000812298262 702141817 /nfs/dbraw/zinc/14/18/17/702141817.db2.gz KMYLTXABZFKXBB-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000812298262 702141821 /nfs/dbraw/zinc/14/18/21/702141821.db2.gz KMYLTXABZFKXBB-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206015 706648603 /nfs/dbraw/zinc/64/86/03/706648603.db2.gz ICIDIQGBTCXJBY-RYUDHWBXSA-N 1 1 301.350 1.773 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1[N+](=O)[O-] ZINC000879361337 706660589 /nfs/dbraw/zinc/66/05/89/706660589.db2.gz CXJFVVPOFUINLM-GXTWGEPZSA-N 1 1 310.350 1.169 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)ccc1Cl ZINC000879364385 706662471 /nfs/dbraw/zinc/66/24/71/706662471.db2.gz WJYLBERAWCRILM-SMDDNHRTSA-N 1 1 314.769 1.813 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)ccc1Cl ZINC000879364385 706662475 /nfs/dbraw/zinc/66/24/75/706662475.db2.gz WJYLBERAWCRILM-SMDDNHRTSA-N 1 1 314.769 1.813 20 5 DDBDMO CSCC[C@H]([NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000843169914 702832630 /nfs/dbraw/zinc/83/26/30/702832630.db2.gz WBPQFYJLJBJSFQ-VIFPVBQESA-N 1 1 309.351 1.980 20 5 DDBDMO CC1(C)OC[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000852150840 703946207 /nfs/dbraw/zinc/94/62/07/703946207.db2.gz AKGMPAJUHDFKLT-GFCCVEGCSA-N 1 1 322.365 1.263 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000818945631 704031302 /nfs/dbraw/zinc/03/13/02/704031302.db2.gz MRTZXUVISOYHOA-INIZCTEOSA-N 1 1 305.378 1.845 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437436 704048251 /nfs/dbraw/zinc/04/82/51/704048251.db2.gz YCCMXDFGUWEPCD-UONOGXRCSA-N 1 1 321.333 1.155 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000819719204 704164440 /nfs/dbraw/zinc/16/44/40/704164440.db2.gz PCGPZBZOUGTDOW-LKFCYVNXSA-N 1 1 322.340 1.482 20 5 DDBDMO CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855489990 704487577 /nfs/dbraw/zinc/48/75/77/704487577.db2.gz FGRNCESYXZIEMV-GFCCVEGCSA-N 1 1 306.366 1.733 20 5 DDBDMO C/C(=C/C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863319834 705900179 /nfs/dbraw/zinc/90/01/79/705900179.db2.gz PIANAICXVPDSEJ-KUGGDMIFSA-N 1 1 319.361 1.181 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827310043 705972692 /nfs/dbraw/zinc/97/26/92/705972692.db2.gz JJKDZNCTCYJWRH-UKRRQHHQSA-N 1 1 303.362 1.690 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366710 705986589 /nfs/dbraw/zinc/98/65/89/705986589.db2.gz OHOYIEYVMKANON-JSGCOSHPSA-N 1 1 318.377 1.803 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000877485244 706120342 /nfs/dbraw/zinc/12/03/42/706120342.db2.gz NNQOUNWGBJULCG-INIZCTEOSA-N 1 1 303.362 1.924 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000828544880 706197035 /nfs/dbraw/zinc/19/70/35/706197035.db2.gz IEXSMBSTXJTECC-AWEZNQCLSA-N 1 1 305.334 1.006 20 5 DDBDMO C[N@H+]1CC[C@@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875787 706230562 /nfs/dbraw/zinc/23/05/62/706230562.db2.gz RQLYKLFSRBTRLW-IUODEOHRSA-N 1 1 318.333 1.066 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000882478846 707649849 /nfs/dbraw/zinc/64/98/49/707649849.db2.gz GXFJHHPTFRUOPC-CYBMUJFWSA-N 1 1 318.377 1.993 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000882486133 707656814 /nfs/dbraw/zinc/65/68/14/707656814.db2.gz ZHQWWFOHLHOBCH-AWEZNQCLSA-N 1 1 316.361 1.760 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000882492288 707662919 /nfs/dbraw/zinc/66/29/19/707662919.db2.gz PETMYVCDQZIWBC-JTQLQIEISA-N 1 1 324.356 1.624 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@]1(CO)COCC[NH2+]1 ZINC000882730912 707764333 /nfs/dbraw/zinc/76/43/33/707764333.db2.gz PVZYUWMJNHMUQN-GFCCVEGCSA-N 1 1 301.730 1.011 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219484 708257487 /nfs/dbraw/zinc/25/74/87/708257487.db2.gz LDJGUJPJMUMFSS-OLZOCXBDSA-N 1 1 321.377 1.639 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000885953833 708670488 /nfs/dbraw/zinc/67/04/88/708670488.db2.gz GXGJSLYWTGMXSY-OAHLLOKOSA-N 1 1 320.393 1.677 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000886190169 708711862 /nfs/dbraw/zinc/71/18/62/708711862.db2.gz DIAAXUMHCBEPEN-AWEZNQCLSA-N 1 1 320.393 1.534 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000886190169 708711864 /nfs/dbraw/zinc/71/18/64/708711864.db2.gz DIAAXUMHCBEPEN-AWEZNQCLSA-N 1 1 320.393 1.534 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000912611533 713049680 /nfs/dbraw/zinc/04/96/80/713049680.db2.gz DZSGBZSKQYYLJD-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO CN(C)S(=O)(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000886322171 708742604 /nfs/dbraw/zinc/74/26/04/708742604.db2.gz QLZLRRSOLKFTNJ-UHFFFAOYSA-N 1 1 319.408 1.170 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000910289182 709869014 /nfs/dbraw/zinc/86/90/14/709869014.db2.gz QFHRXHJMZUCYSU-LLVKDONJSA-N 1 1 309.370 1.042 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913281467 713190632 /nfs/dbraw/zinc/19/06/32/713190632.db2.gz QQLLHTBEJQXZAF-GASCZTMLSA-N 1 1 320.349 1.109 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000928438670 713196020 /nfs/dbraw/zinc/19/60/20/713196020.db2.gz GVYAKOOSOLDLNT-ZWNOBZJWSA-N 1 1 314.345 1.965 20 5 DDBDMO C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C ZINC000928444035 713198493 /nfs/dbraw/zinc/19/84/93/713198493.db2.gz IJXRACWCVXEBRK-JOYOIKCWSA-N 1 1 311.313 1.322 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448252 713200923 /nfs/dbraw/zinc/20/09/23/713200923.db2.gz NDLDEHRKIAFMMD-ZYHUDNBSSA-N 1 1 309.370 1.007 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448250 713201053 /nfs/dbraw/zinc/20/10/53/713201053.db2.gz NDLDEHRKIAFMMD-JQWIXIFHSA-N 1 1 309.370 1.007 20 5 DDBDMO Cn1c[nH+]cc1CCOc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000902902273 710951315 /nfs/dbraw/zinc/95/13/15/710951315.db2.gz OUHJOJYSHRJJSF-UHFFFAOYSA-N 1 1 305.290 1.721 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@H]21 ZINC000895021671 711372661 /nfs/dbraw/zinc/37/26/61/711372661.db2.gz HUOXPPDSBAEUGC-GXSJLCMTSA-N 1 1 303.322 1.661 20 5 DDBDMO CCC[N@H+]1CCC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000907066049 712478703 /nfs/dbraw/zinc/47/87/03/712478703.db2.gz SVJUWFDOOKEETD-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000908278939 712727031 /nfs/dbraw/zinc/72/70/31/712727031.db2.gz IBQOEAOYVDFRHR-CQSZACIVSA-N 1 1 323.349 1.653 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000908278939 712727032 /nfs/dbraw/zinc/72/70/32/712727032.db2.gz IBQOEAOYVDFRHR-CQSZACIVSA-N 1 1 323.349 1.653 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930100361 713756023 /nfs/dbraw/zinc/75/60/23/713756023.db2.gz SVKMPGIGTSXUDK-DVOMOZLQSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)C2 ZINC000930100361 713756026 /nfs/dbraw/zinc/75/60/26/713756026.db2.gz SVKMPGIGTSXUDK-DVOMOZLQSA-N 1 1 304.346 1.757 20 5 DDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000930362850 713814073 /nfs/dbraw/zinc/81/40/73/713814073.db2.gz RDLFLNVSNMZAIS-SNVBAGLBSA-N 1 1 309.391 1.998 20 5 DDBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000930770390 713916133 /nfs/dbraw/zinc/91/61/33/713916133.db2.gz WOJZUFSSDSCPJA-ONGXEEELSA-N 1 1 308.338 1.818 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000930877567 713947925 /nfs/dbraw/zinc/94/79/25/713947925.db2.gz VOARABLXKHBRDW-NSHDSACASA-N 1 1 307.354 1.278 20 5 DDBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000931669027 714156165 /nfs/dbraw/zinc/15/61/65/714156165.db2.gz WRJZLLXOZRMCET-AWEZNQCLSA-N 1 1 310.350 1.771 20 5 DDBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000931677685 714158776 /nfs/dbraw/zinc/15/87/76/714158776.db2.gz WHLWVOYKAOGNNM-AWEZNQCLSA-N 1 1 310.350 1.771 20 5 DDBDMO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932176461 714279512 /nfs/dbraw/zinc/27/95/12/714279512.db2.gz FREYNCURPIQUHT-GFCCVEGCSA-N 1 1 320.393 1.456 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933675766 714645375 /nfs/dbraw/zinc/64/53/75/714645375.db2.gz OFIKESHARHOTQV-KBPBESRZSA-N 1 1 324.381 1.227 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933675766 714645379 /nfs/dbraw/zinc/64/53/79/714645379.db2.gz OFIKESHARHOTQV-KBPBESRZSA-N 1 1 324.381 1.227 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCCNC(=O)CC1 ZINC000934153420 714755729 /nfs/dbraw/zinc/75/57/29/714755729.db2.gz GIZKRRJFMQDVTC-UHFFFAOYSA-N 1 1 309.370 1.092 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934275912 714784193 /nfs/dbraw/zinc/78/41/93/714784193.db2.gz RXEXAESRAXJRFJ-KBPBESRZSA-N 1 1 306.366 1.021 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000934951503 714937005 /nfs/dbraw/zinc/93/70/05/714937005.db2.gz OUSWEQNSECMHQU-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1ccc2c(ccnc2-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167351171 733271422 /nfs/dbraw/zinc/27/14/22/733271422.db2.gz GJDSJBGWPRAVMT-UHFFFAOYSA-N 1 1 310.317 1.575 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001121197458 782403848 /nfs/dbraw/zinc/40/38/48/782403848.db2.gz ASSVUBAEDOONDS-DDTOSNHZSA-N 1 1 319.361 1.673 20 5 DDBDMO O=C(NCC[NH2+]Cc1cccc2cccnc21)[C@@H]1CC1[N+](=O)[O-] ZINC001126943660 742940007 /nfs/dbraw/zinc/94/00/07/742940007.db2.gz REBVFRRIMKGESQ-ZIAGYGMSSA-N 1 1 314.345 1.106 20 5 DDBDMO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)C(=O)OCC ZINC001169932941 762758232 /nfs/dbraw/zinc/75/82/32/762758232.db2.gz FCXYPSVNZZUORZ-NSHDSACASA-N 1 1 312.370 1.763 20 5 DDBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)C(=O)OCC ZINC001169932941 762758233 /nfs/dbraw/zinc/75/82/33/762758233.db2.gz FCXYPSVNZZUORZ-NSHDSACASA-N 1 1 312.370 1.763 20 5 DDBDMO C=C/C(C)=C\CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132516431 768944835 /nfs/dbraw/zinc/94/48/35/768944835.db2.gz ZLHINGACFRUNIB-WZUFQYTHSA-N 1 1 307.354 1.057 20 5 DDBDMO Cc1ccnc(NCCNC(=O)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC001093674044 774988322 /nfs/dbraw/zinc/98/83/22/774988322.db2.gz LKVPFTLVMBPCAG-UHFFFAOYSA-N 1 1 309.370 1.167 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC001094140687 775474830 /nfs/dbraw/zinc/47/48/30/775474830.db2.gz RMXHMYOJUQNSFB-UHFFFAOYSA-N 1 1 321.381 1.250 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001171815429 776482665 /nfs/dbraw/zinc/48/26/65/776482665.db2.gz VUEBVRQGQAEVSM-YGRLFVJLSA-N 1 1 304.350 1.343 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](O)[C@@H](CO)C1)CC2 ZINC001172903301 776915730 /nfs/dbraw/zinc/91/57/30/776915730.db2.gz GNVMATFAQXNDJV-INMHGKMJSA-N 1 1 320.389 1.517 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001173221727 777054350 /nfs/dbraw/zinc/05/43/50/777054350.db2.gz LIXCXCXNMVUHFH-CJNGLKHVSA-N 1 1 305.378 1.542 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCCO)CC1 ZINC001173221941 777054992 /nfs/dbraw/zinc/05/49/92/777054992.db2.gz NOYHUXCRNYOVNZ-CQSZACIVSA-N 1 1 307.394 1.526 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110227732 779264957 /nfs/dbraw/zinc/26/49/57/779264957.db2.gz KBMWWFBQHFRQKT-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO CC1(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001268828974 840875759 /nfs/dbraw/zinc/87/57/59/840875759.db2.gz RZCICDDDRSYQLR-UHFFFAOYSA-N 1 1 303.362 1.943 20 5 DDBDMO O=C(NCC1([NH2+]Cc2ccccc2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001273084110 847885641 /nfs/dbraw/zinc/88/56/41/847885641.db2.gz BPJBHDSTQPNYSN-ZIAGYGMSSA-N 1 1 303.362 1.480 20 5 DDBDMO CCC1([NH2+]CCCF)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001327449907 862184175 /nfs/dbraw/zinc/18/41/75/862184175.db2.gz UYKCMNHHQLXBKU-VXGBXAGGSA-N 1 1 301.362 1.372 20 5 DDBDMO CN(C)C1(CNc2ccc([N+](=O)[O-])c(N)n2)CC[NH+](C)CC1 ZINC001156184813 862785834 /nfs/dbraw/zinc/78/58/34/862785834.db2.gz DKZGNRYAKMJHNM-UHFFFAOYSA-N 1 1 308.386 1.010 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875291 860910281 /nfs/dbraw/zinc/91/02/81/860910281.db2.gz UILNHUPTGUHFSQ-HOTGVXAUSA-N 1 1 308.378 1.969 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC001152578248 863441915 /nfs/dbraw/zinc/44/19/15/863441915.db2.gz UDQOIRIWWATDSS-UHFFFAOYSA-N 1 1 318.377 1.999 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022539 864328009 /nfs/dbraw/zinc/32/80/09/864328009.db2.gz LBJNKABUFLTMNJ-JGVFFNPUSA-N 1 1 313.745 1.280 20 5 DDBDMO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC001330850715 864654161 /nfs/dbraw/zinc/65/41/61/864654161.db2.gz QOHGLLCQWXLUSP-GFCCVEGCSA-N 1 1 310.354 1.636 20 5 DDBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC001330850715 864654166 /nfs/dbraw/zinc/65/41/66/864654166.db2.gz QOHGLLCQWXLUSP-GFCCVEGCSA-N 1 1 310.354 1.636 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](C/C=C/Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090790 865675451 /nfs/dbraw/zinc/67/54/51/865675451.db2.gz PMWAANBWUGSHNT-RFJNLHAASA-N 1 1 313.785 1.543 20 5 DDBDMO COc1cc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160722165 866068133 /nfs/dbraw/zinc/06/81/33/866068133.db2.gz FKVHXZISEQSIFB-NWDGAFQWSA-N 1 1 322.365 1.664 20 5 DDBDMO C[NH+](C)C=Cc1cc(NC2=CC(=O)NCC2)ncc1[N+](=O)[O-] ZINC001162648348 867701389 /nfs/dbraw/zinc/70/13/89/867701389.db2.gz GJDYGAPQVRACFZ-GQCTYLIASA-N 1 1 303.322 1.338 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162811580 867847965 /nfs/dbraw/zinc/84/79/65/867847965.db2.gz BYKHWXAUPPZRTE-QMMMGPOBSA-N 1 1 301.297 1.619 20 5 DDBDMO O=C(CC[N@@H+]1C2CCC1(CO)CC2)Nc1ccccc1[N+](=O)[O-] ZINC001335132057 868085954 /nfs/dbraw/zinc/08/59/54/868085954.db2.gz SSXCNESLOZTQOB-UHFFFAOYSA-N 1 1 319.361 1.913 20 5 DDBDMO COc1nc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163357055 868390295 /nfs/dbraw/zinc/39/02/95/868390295.db2.gz ITRMAYHJJDYVSA-QWRGUYRKSA-N 1 1 309.370 1.924 20 5 DDBDMO COc1nc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC001163357052 868391297 /nfs/dbraw/zinc/39/12/97/868391297.db2.gz ITRMAYHJJDYVSA-GHMZBOCLSA-N 1 1 309.370 1.924 20 5 DDBDMO CO[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@@H]1OC ZINC001163999120 868864365 /nfs/dbraw/zinc/86/43/65/868864365.db2.gz PSCBKFYCFAIRJF-DLPZHFSESA-N 1 1 322.365 1.372 20 5 DDBDMO [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(F)F ZINC001164320059 869124179 /nfs/dbraw/zinc/12/41/79/869124179.db2.gz XABAFSZZAAAQBN-QMMMGPOBSA-N 1 1 303.225 1.071 20 5 DDBDMO CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494392 869231823 /nfs/dbraw/zinc/23/18/23/869231823.db2.gz ICUPPVMRTFEXAJ-ZIAGYGMSSA-N 1 1 311.426 1.964 20 5 DDBDMO O=C(NCCC1(C[NH2+]CCCCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494398 869232960 /nfs/dbraw/zinc/23/29/60/869232960.db2.gz ILIBHQWPSUFCGY-CHWSQXEVSA-N 1 1 315.389 1.668 20 5 DDBDMO COC(=O)c1ccnc(NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC001337727386 869608810 /nfs/dbraw/zinc/60/88/10/869608810.db2.gz ZPGNZFCNQQRYBH-UHFFFAOYSA-N 1 1 305.294 1.165 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001310993118 871667387 /nfs/dbraw/zinc/66/73/87/871667387.db2.gz WWHAWJNIEZZPSV-GAFUQQFSSA-N 1 1 319.365 1.639 20 5 DDBDMO Nc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC001318520318 872129241 /nfs/dbraw/zinc/12/92/41/872129241.db2.gz ZOOIFQSERUUAMG-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC001353285490 877228685 /nfs/dbraw/zinc/22/86/85/877228685.db2.gz NQVUXIRYFZSNKY-WCFLWFBJSA-N 1 1 319.361 1.673 20 5 DDBDMO COC(=O)[C@H](OC[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647078 881043421 /nfs/dbraw/zinc/04/34/21/881043421.db2.gz IXRPVYXXCFOALR-SMDDNHRTSA-N 1 1 324.333 1.156 20 5 DDBDMO COC(=O)[C@H](OC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC001223647078 881043432 /nfs/dbraw/zinc/04/34/32/881043432.db2.gz IXRPVYXXCFOALR-SMDDNHRTSA-N 1 1 324.333 1.156 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])c3nc[nH]c31)C2 ZINC001227692959 883135225 /nfs/dbraw/zinc/13/52/25/883135225.db2.gz HLHDHJXAVAEUKP-MYJAWHEDSA-N 1 1 303.322 1.870 20 5 DDBDMO CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C)C2)c1 ZINC001234408463 887946744 /nfs/dbraw/zinc/94/67/44/887946744.db2.gz MSBUGPKDTXEPGK-GFCCVEGCSA-N 1 1 308.334 1.783 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001254563641 896502979 /nfs/dbraw/zinc/50/29/79/896502979.db2.gz ABAOWLRLQWYDOQ-IUODEOHRSA-N 1 1 322.361 1.790 20 5 DDBDMO COC(=O)[C@H]1C[N@H+](C)CCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569253 896505745 /nfs/dbraw/zinc/50/57/45/896505745.db2.gz JEQQCRNZZCGRBS-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569253 896505752 /nfs/dbraw/zinc/50/57/52/896505752.db2.gz JEQQCRNZZCGRBS-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597369 896524306 /nfs/dbraw/zinc/52/43/06/896524306.db2.gz CTQRIKUNHMFCLN-XJKSGUPXSA-N 1 1 317.389 1.862 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001263676064 900667611 /nfs/dbraw/zinc/66/76/11/900667611.db2.gz FYMXXAPGPJEQQC-VXGBXAGGSA-N 1 1 322.413 1.384 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197631 529444567 /nfs/dbraw/zinc/44/45/67/529444567.db2.gz YJPOVWAXXCQHNF-ZBFHGGJFSA-N 1 1 319.361 1.547 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cccc1[N+](=O)[O-] ZINC000452391798 231375364 /nfs/dbraw/zinc/37/53/64/231375364.db2.gz QKEFCNSDQXJTLT-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO C[N@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550982 185302390 /nfs/dbraw/zinc/30/23/90/185302390.db2.gz KHQMWRROOJTPNL-UHFFFAOYSA-N 1 1 307.375 1.993 20 5 DDBDMO CS[C@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090564468 185303988 /nfs/dbraw/zinc/30/39/88/185303988.db2.gz AUBHMNFJFBKWOJ-ZDUSSCGKSA-N 1 1 311.407 1.974 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286603600 219077046 /nfs/dbraw/zinc/07/70/46/219077046.db2.gz WSOYJRHYSVGXPD-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330860127 232119265 /nfs/dbraw/zinc/11/92/65/232119265.db2.gz VWMOXXFDSLBUBO-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330860127 232119268 /nfs/dbraw/zinc/11/92/68/232119268.db2.gz VWMOXXFDSLBUBO-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330860127 232119271 /nfs/dbraw/zinc/11/92/71/232119271.db2.gz VWMOXXFDSLBUBO-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330909831 232155178 /nfs/dbraw/zinc/15/51/78/232155178.db2.gz PCAOEXHMXVKKFG-JQWIXIFHSA-N 1 1 309.370 1.089 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000358391865 299140419 /nfs/dbraw/zinc/14/04/19/299140419.db2.gz ITIQALUXLALPCD-PWSUYJOCSA-N 1 1 309.341 1.875 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000459543062 233297935 /nfs/dbraw/zinc/29/79/35/233297935.db2.gz BKQAYUJHYDKSOA-UHFFFAOYSA-N 1 1 308.382 1.772 20 5 DDBDMO C[N@@H+]1CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000140016647 186025529 /nfs/dbraw/zinc/02/55/29/186025529.db2.gz FJANDAFARPFFFA-JTQLQIEISA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000140016647 186025531 /nfs/dbraw/zinc/02/55/31/186025531.db2.gz FJANDAFARPFFFA-JTQLQIEISA-N 1 1 313.379 1.504 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CCC[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000280110753 215384346 /nfs/dbraw/zinc/38/43/46/215384346.db2.gz NPCPUKIOVLRZKD-UHFFFAOYSA-N 1 1 317.349 1.618 20 5 DDBDMO CC(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CC[NH+](C)CC1 ZINC000046551958 352456023 /nfs/dbraw/zinc/45/60/23/352456023.db2.gz SODDSCDXGBUEKV-LBPRGKRZSA-N 1 1 310.402 1.012 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046858786 352465451 /nfs/dbraw/zinc/46/54/51/352465451.db2.gz YZUAWMVPFIWOMA-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO CC[N@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833237 198155125 /nfs/dbraw/zinc/15/51/25/198155125.db2.gz FJEFHUUCFVKWQD-UHFFFAOYSA-N 1 1 311.294 1.888 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833237 198155126 /nfs/dbraw/zinc/15/51/26/198155126.db2.gz FJEFHUUCFVKWQD-UHFFFAOYSA-N 1 1 311.294 1.888 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000068575518 353121352 /nfs/dbraw/zinc/12/13/52/353121352.db2.gz LBKDMAXGXIILGW-LBPRGKRZSA-N 1 1 323.397 1.338 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000074104919 353292863 /nfs/dbraw/zinc/29/28/63/353292863.db2.gz MBCNUFNQORKJOM-JTQLQIEISA-N 1 1 313.379 1.497 20 5 DDBDMO Cn1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000174901034 198399489 /nfs/dbraw/zinc/39/94/89/198399489.db2.gz NXUICRAIXBIIOR-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1C(F)(F)F ZINC000078254374 353507186 /nfs/dbraw/zinc/50/71/86/353507186.db2.gz JHJQOHVCDJLCBC-UHFFFAOYSA-N 1 1 319.283 1.728 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000077963130 353498448 /nfs/dbraw/zinc/49/84/48/353498448.db2.gz YLTPBRGHSBWHPV-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169809 353706418 /nfs/dbraw/zinc/70/64/18/353706418.db2.gz POKNSRRWZDGIAX-JTQLQIEISA-N 1 1 318.333 1.966 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093343811 353897863 /nfs/dbraw/zinc/89/78/63/353897863.db2.gz KLMZZELQQXHDAC-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000129904450 354087497 /nfs/dbraw/zinc/08/74/97/354087497.db2.gz ITJFZHNJHZWWOT-ZWNOBZJWSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000129904450 354087498 /nfs/dbraw/zinc/08/74/98/354087498.db2.gz ITJFZHNJHZWWOT-ZWNOBZJWSA-N 1 1 308.338 1.435 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000154096193 354204241 /nfs/dbraw/zinc/20/42/41/354204241.db2.gz JRFRQYNEBRWGSR-AWEZNQCLSA-N 1 1 306.366 1.710 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000154096193 354204243 /nfs/dbraw/zinc/20/42/43/354204243.db2.gz JRFRQYNEBRWGSR-AWEZNQCLSA-N 1 1 306.366 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H](O)C1CC1 ZINC000156601022 354220048 /nfs/dbraw/zinc/22/00/48/354220048.db2.gz ZCZYNHCFKYJDMU-OAHLLOKOSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000281637672 354426730 /nfs/dbraw/zinc/42/67/30/354426730.db2.gz IKFUQXXBJXCVJS-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293056323 354453442 /nfs/dbraw/zinc/45/34/42/354453442.db2.gz IFHQJXOLRKTUPR-KGLIPLIRSA-N 1 1 324.377 1.429 20 5 DDBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3c[nH+]cn3C2)nc2sccn21 ZINC000588067745 354898805 /nfs/dbraw/zinc/89/88/05/354898805.db2.gz MQKSPJHTQQCINO-MRVPVSSYSA-N 1 1 304.335 1.927 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000588838645 354941242 /nfs/dbraw/zinc/94/12/42/354941242.db2.gz XHSOQWCGNKXCOZ-RYUDHWBXSA-N 1 1 309.370 1.029 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC2(CO)CC2)c1 ZINC000589513676 354997917 /nfs/dbraw/zinc/99/79/17/354997917.db2.gz PUPBXIKIBPZBNS-UHFFFAOYSA-N 1 1 308.334 1.586 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC2(CO)CC2)c1 ZINC000589513676 354997919 /nfs/dbraw/zinc/99/79/19/354997919.db2.gz PUPBXIKIBPZBNS-UHFFFAOYSA-N 1 1 308.334 1.586 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000589941439 355033844 /nfs/dbraw/zinc/03/38/44/355033844.db2.gz INYUWYGNPWEOTJ-RNCFNFMXSA-N 1 1 308.313 1.902 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045568 355043964 /nfs/dbraw/zinc/04/39/64/355043964.db2.gz RZCDKFQHFUJLNX-OCCSQVGLSA-N 1 1 319.361 1.770 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1C ZINC000590047189 355044795 /nfs/dbraw/zinc/04/47/95/355044795.db2.gz XDJJTURWRTUFNN-FZMZJTMJSA-N 1 1 319.361 1.688 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000494946034 235105882 /nfs/dbraw/zinc/10/58/82/235105882.db2.gz HFSZKYQSPVZLLK-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000590141610 355053358 /nfs/dbraw/zinc/05/33/58/355053358.db2.gz RMGPBZMPKQHRNW-QWHCGFSZSA-N 1 1 323.397 1.419 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561797 355115076 /nfs/dbraw/zinc/11/50/76/355115076.db2.gz GVVWGHBUWDPENZ-GHMZBOCLSA-N 1 1 309.322 1.123 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000591144260 355254015 /nfs/dbraw/zinc/25/40/15/355254015.db2.gz BVWRVCXXLKFITN-CHWSQXEVSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]3OCC[C@@H]3C1)OCCO2 ZINC000592520435 355611082 /nfs/dbraw/zinc/61/10/82/355611082.db2.gz MWCITIGWQHCEGE-RISCZKNCSA-N 1 1 320.345 1.977 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108705 355801068 /nfs/dbraw/zinc/80/10/68/355801068.db2.gz ZBELWQPSFRALIX-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593108705 355801071 /nfs/dbraw/zinc/80/10/71/355801071.db2.gz ZBELWQPSFRALIX-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593338362 355857643 /nfs/dbraw/zinc/85/76/43/355857643.db2.gz HYDVNZXLBKNPEG-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593338362 355857646 /nfs/dbraw/zinc/85/76/46/355857646.db2.gz HYDVNZXLBKNPEG-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593720277 355976249 /nfs/dbraw/zinc/97/62/49/355976249.db2.gz JPMZGUOOVYVVRN-BXUZGUMPSA-N 1 1 307.325 1.439 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000594732464 356300630 /nfs/dbraw/zinc/30/06/30/356300630.db2.gz LDWPHHRFYIJBHA-LBPRGKRZSA-N 1 1 317.349 1.308 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000595033061 356375109 /nfs/dbraw/zinc/37/51/09/356375109.db2.gz AJLZHVHTAXNYFS-UWVGGRQHSA-N 1 1 316.379 1.687 20 5 DDBDMO C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695907 356612231 /nfs/dbraw/zinc/61/22/31/356612231.db2.gz JBFUFRFUZJUKGA-SMDDNHRTSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595868947 356684725 /nfs/dbraw/zinc/68/47/25/356684725.db2.gz CNXFAHGXXPBUCR-BLLLJJGKSA-N 1 1 321.377 1.874 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596118908 356780191 /nfs/dbraw/zinc/78/01/91/356780191.db2.gz GHBNKOQQOLPNDN-GFCCVEGCSA-N 1 1 304.350 1.590 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596539343 356911435 /nfs/dbraw/zinc/91/14/35/356911435.db2.gz OWZYBHRZVFBSHM-AWEZNQCLSA-N 1 1 305.378 1.939 20 5 DDBDMO Cn1c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597855012 357358672 /nfs/dbraw/zinc/35/86/72/357358672.db2.gz OXIYLKXZGDFKGS-NSHDSACASA-N 1 1 308.382 1.784 20 5 DDBDMO CNS(=O)(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000598585977 357641017 /nfs/dbraw/zinc/64/10/17/357641017.db2.gz BTGHROPDADNLME-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO CNS(=O)(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000598585977 357641019 /nfs/dbraw/zinc/64/10/19/357641019.db2.gz BTGHROPDADNLME-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO COC(=O)c1ccnc(NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598592661 357644706 /nfs/dbraw/zinc/64/47/06/357644706.db2.gz LHCKTVBCJOSSDF-SECBINFHSA-N 1 1 308.338 1.671 20 5 DDBDMO C[C@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104017 357816491 /nfs/dbraw/zinc/81/64/91/357816491.db2.gz KWXRKXMUODMBIB-IUCAKERBSA-N 1 1 317.342 1.153 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(NCC[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000599199381 357847500 /nfs/dbraw/zinc/84/75/00/357847500.db2.gz IZONVQPXFMCKKW-ZDUSSCGKSA-N 1 1 302.334 1.622 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(C)COC1 ZINC000599571636 357979699 /nfs/dbraw/zinc/97/96/99/357979699.db2.gz OPWMLODUKZZCPQ-UHFFFAOYSA-N 1 1 307.350 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(C)COC1 ZINC000599571636 357979702 /nfs/dbraw/zinc/97/97/02/357979702.db2.gz OPWMLODUKZZCPQ-UHFFFAOYSA-N 1 1 307.350 1.810 20 5 DDBDMO C[C@H]1CC(F)(F)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599621811 357995398 /nfs/dbraw/zinc/99/53/98/357995398.db2.gz GMMIYEWWQGWWLA-JTQLQIEISA-N 1 1 301.293 1.876 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000599632451 357999346 /nfs/dbraw/zinc/99/93/46/357999346.db2.gz ONPCRWOVEQCUCL-ZCCHDVMBSA-N 1 1 324.402 1.959 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645749 358004465 /nfs/dbraw/zinc/00/44/65/358004465.db2.gz WDNXEIBRWATCRT-PHIMTYICSA-N 1 1 320.349 1.037 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645749 358004468 /nfs/dbraw/zinc/00/44/68/358004468.db2.gz WDNXEIBRWATCRT-PHIMTYICSA-N 1 1 320.349 1.037 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1C[C@@H](O)C1 ZINC000599672350 358019101 /nfs/dbraw/zinc/01/91/01/358019101.db2.gz MCFNKVBWYRBUMR-GSJFWJNXSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000600070249 358114750 /nfs/dbraw/zinc/11/47/50/358114750.db2.gz YMMZQJBCJIMLNO-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO CC(C)n1ncnc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000601106841 358404416 /nfs/dbraw/zinc/40/44/16/358404416.db2.gz YOIAGWBEJGKPSC-UHFFFAOYSA-N 1 1 305.338 1.936 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](O)C3CCOCC3)c2c1 ZINC000601118107 358408942 /nfs/dbraw/zinc/40/89/42/358408942.db2.gz HFCHNMMNBNSRCI-INIZCTEOSA-N 1 1 317.345 1.764 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601596468 358617732 /nfs/dbraw/zinc/61/77/32/358617732.db2.gz ONZFQMSWXOKCIQ-OAHLLOKOSA-N 1 1 307.325 1.902 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601973722 358761390 /nfs/dbraw/zinc/76/13/90/358761390.db2.gz JEGJAQTVKIUKNW-SNVBAGLBSA-N 1 1 304.297 1.456 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601973722 358761395 /nfs/dbraw/zinc/76/13/95/358761395.db2.gz JEGJAQTVKIUKNW-SNVBAGLBSA-N 1 1 304.297 1.456 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195466 358876291 /nfs/dbraw/zinc/87/62/91/358876291.db2.gz LSUJJTKVKJUDQE-WBMJQRKESA-N 1 1 321.377 1.260 20 5 DDBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000602577936 359052287 /nfs/dbraw/zinc/05/22/87/359052287.db2.gz RLQBZOARTZJLIO-MGUXCZDKSA-N 1 1 322.390 1.917 20 5 DDBDMO Cc1cnn([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602836780 359227937 /nfs/dbraw/zinc/22/79/37/359227937.db2.gz ISGUJEIBPDHLCZ-CYBMUJFWSA-N 1 1 304.354 1.552 20 5 DDBDMO CC[NH+]1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197570 /nfs/dbraw/zinc/19/75/70/359197570.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[NH+]1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197575 /nfs/dbraw/zinc/19/75/75/359197575.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197578 /nfs/dbraw/zinc/19/75/78/359197578.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197585 /nfs/dbraw/zinc/19/75/85/359197585.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197588 /nfs/dbraw/zinc/19/75/88/359197588.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197590 /nfs/dbraw/zinc/19/75/90/359197590.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000602830352 359222709 /nfs/dbraw/zinc/22/27/09/359222709.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 1 1 307.398 1.517 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3ccnn3)CC2)c1 ZINC000602888611 359272449 /nfs/dbraw/zinc/27/24/49/359272449.db2.gz OVNARVNHWWNYAF-LBPRGKRZSA-N 1 1 305.342 1.110 20 5 DDBDMO COc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000602962510 359325438 /nfs/dbraw/zinc/32/54/38/359325438.db2.gz LCGTWSNVCHDHTN-MRXNPFEDSA-N 1 1 317.345 1.996 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963068 359326674 /nfs/dbraw/zinc/32/66/74/359326674.db2.gz SUXQZCXHFSPJPB-GOEBONIOSA-N 1 1 307.394 1.876 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186803697 200013557 /nfs/dbraw/zinc/01/35/57/200013557.db2.gz IWNDJGNSFCVDBK-ZDUSSCGKSA-N 1 1 310.350 1.039 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603406225 359620708 /nfs/dbraw/zinc/62/07/08/359620708.db2.gz IMJVDGYEVVWTAO-UHFFFAOYSA-N 1 1 323.397 1.964 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000187405736 200107915 /nfs/dbraw/zinc/10/79/15/200107915.db2.gz HEXQXBPDAJHPGZ-UHFFFAOYSA-N 1 1 308.338 1.439 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000604546959 359763928 /nfs/dbraw/zinc/76/39/28/359763928.db2.gz NQVAYVQBWIFMED-JTQLQIEISA-N 1 1 302.334 1.900 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000609578216 360327273 /nfs/dbraw/zinc/32/72/73/360327273.db2.gz ZEAUYFFQCVDHMX-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)nn1 ZINC000611973488 360877448 /nfs/dbraw/zinc/87/74/48/360877448.db2.gz JEWCBOLBDMQVIL-JTQLQIEISA-N 1 1 318.337 1.230 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000612070173 360908856 /nfs/dbraw/zinc/90/88/56/360908856.db2.gz DAYJUXDTKYMMGY-KBPBESRZSA-N 1 1 324.377 1.429 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000281389977 216266655 /nfs/dbraw/zinc/26/66/55/216266655.db2.gz GGBLTGDWLZNXDJ-WDEREUQCSA-N 1 1 319.365 1.362 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@@H+](CCOC)CC1 ZINC000619476678 364028134 /nfs/dbraw/zinc/02/81/34/364028134.db2.gz ZLLQIEOOBTUUAZ-UHFFFAOYSA-N 1 1 311.386 1.278 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000619759467 364143428 /nfs/dbraw/zinc/14/34/28/364143428.db2.gz MPAXTROGFFDLEH-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000261751922 203110768 /nfs/dbraw/zinc/11/07/68/203110768.db2.gz JADWUZQNCRGLJO-PHIMTYICSA-N 1 1 321.381 1.342 20 5 DDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NCc1ccccc1 ZINC000350119515 284152115 /nfs/dbraw/zinc/15/21/15/284152115.db2.gz CDEMQSIJWSNRON-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NCc1ccccc1 ZINC000350119515 284152116 /nfs/dbraw/zinc/15/21/16/284152116.db2.gz CDEMQSIJWSNRON-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264757886 204134215 /nfs/dbraw/zinc/13/42/15/204134215.db2.gz TYWZJGXZSHAIFF-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(F)(F)F ZINC000282495839 217039778 /nfs/dbraw/zinc/03/97/78/217039778.db2.gz QHTMNFDAOQFPCQ-UHFFFAOYSA-N 1 1 319.283 1.748 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(F)(F)F ZINC000282495839 217039780 /nfs/dbraw/zinc/03/97/80/217039780.db2.gz QHTMNFDAOQFPCQ-UHFFFAOYSA-N 1 1 319.283 1.748 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288380844 220120309 /nfs/dbraw/zinc/12/03/09/220120309.db2.gz KGSLTQCMLSUTCD-GFCCVEGCSA-N 1 1 305.378 1.998 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCOCC1 ZINC000579494627 422781717 /nfs/dbraw/zinc/78/17/17/422781717.db2.gz UVLJZGCCZXKMKM-LBPRGKRZSA-N 1 1 309.366 1.984 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000267798272 206289344 /nfs/dbraw/zinc/28/93/44/206289344.db2.gz KNGGUMPOSJYHHJ-AOOOYVTPSA-N 1 1 321.333 1.850 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000267798272 206289349 /nfs/dbraw/zinc/28/93/49/206289349.db2.gz KNGGUMPOSJYHHJ-AOOOYVTPSA-N 1 1 321.333 1.850 20 5 DDBDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000267947291 206353916 /nfs/dbraw/zinc/35/39/16/206353916.db2.gz SLEXFAUXMWGPQQ-RISCZKNCSA-N 1 1 320.349 1.971 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000270839073 248691073 /nfs/dbraw/zinc/69/10/73/248691073.db2.gz DUBCZFTUOQZMBS-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193872 249383368 /nfs/dbraw/zinc/38/33/68/249383368.db2.gz YMVZCMNTSQGRSA-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193872 249383371 /nfs/dbraw/zinc/38/33/71/249383371.db2.gz YMVZCMNTSQGRSA-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337193872 249383376 /nfs/dbraw/zinc/38/33/76/249383376.db2.gz YMVZCMNTSQGRSA-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000284418520 218019288 /nfs/dbraw/zinc/01/92/88/218019288.db2.gz CEAPLLBBHBGJPT-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO C[N@@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000104571573 194016295 /nfs/dbraw/zinc/01/62/95/194016295.db2.gz XNHIBNFYSWVJIW-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1cc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000271664258 209106882 /nfs/dbraw/zinc/10/68/82/209106882.db2.gz VTUBTOSDDQNUJJ-UHFFFAOYSA-N 1 1 304.354 1.702 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269181797 207301772 /nfs/dbraw/zinc/30/17/72/207301772.db2.gz LMIFSYJITFLXRJ-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269181797 207301774 /nfs/dbraw/zinc/30/17/74/207301774.db2.gz LMIFSYJITFLXRJ-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491559441 532975858 /nfs/dbraw/zinc/97/58/58/532975858.db2.gz ALRYNXZWEOXSGJ-LMVHVUTASA-N 1 1 319.361 1.445 20 5 DDBDMO C[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000352551373 285134719 /nfs/dbraw/zinc/13/47/19/285134719.db2.gz XEDOHODEWAGPEN-GFCCVEGCSA-N 1 1 314.407 1.750 20 5 DDBDMO C[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000352551373 285134720 /nfs/dbraw/zinc/13/47/20/285134720.db2.gz XEDOHODEWAGPEN-GFCCVEGCSA-N 1 1 314.407 1.750 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000567971135 304256962 /nfs/dbraw/zinc/25/69/62/304256962.db2.gz URLGPLUNBSFDTR-OAHLLOKOSA-N 1 1 310.350 1.829 20 5 DDBDMO C[N@H+](CCc1nccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000157580983 197199242 /nfs/dbraw/zinc/19/92/42/197199242.db2.gz CLUMJWPLCRFYAH-UHFFFAOYSA-N 1 1 320.374 1.825 20 5 DDBDMO C[N@@H+](CCc1nccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000157580983 197199243 /nfs/dbraw/zinc/19/92/43/197199243.db2.gz CLUMJWPLCRFYAH-UHFFFAOYSA-N 1 1 320.374 1.825 20 5 DDBDMO C[C@@H]1OCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156561796 197123564 /nfs/dbraw/zinc/12/35/64/197123564.db2.gz JQJBSKOPJPPVAD-OBJOEFQTSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1OCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156561796 197123566 /nfs/dbraw/zinc/12/35/66/197123566.db2.gz JQJBSKOPJPPVAD-OBJOEFQTSA-N 1 1 310.350 1.444 20 5 DDBDMO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271646967 209092708 /nfs/dbraw/zinc/09/27/08/209092708.db2.gz TYLHWYRXVLBWPM-VXGBXAGGSA-N 1 1 309.366 1.787 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294997041 533218167 /nfs/dbraw/zinc/21/81/67/533218167.db2.gz ICPANZFRHYLRRN-INIZCTEOSA-N 1 1 322.361 1.915 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482050 221006664 /nfs/dbraw/zinc/00/66/64/221006664.db2.gz RVDLJZZBSPQZCO-JQWIXIFHSA-N 1 1 317.349 1.947 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCCO)C2)c(Cl)c1 ZINC000294871082 224276639 /nfs/dbraw/zinc/27/66/39/224276639.db2.gz DFSOBMKSQLIENO-SNVBAGLBSA-N 1 1 314.773 1.902 20 5 DDBDMO O=C1NCCN1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290015862 221380352 /nfs/dbraw/zinc/38/03/52/221380352.db2.gz SNDKBJDBOKLQDX-UHFFFAOYSA-N 1 1 304.350 1.584 20 5 DDBDMO C[N@@H+](CCc1ccncc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000121609868 195315871 /nfs/dbraw/zinc/31/58/71/195315871.db2.gz JAELRMGOTMXGIS-UHFFFAOYSA-N 1 1 314.345 1.763 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000494957216 533327751 /nfs/dbraw/zinc/32/77/51/533327751.db2.gz NSWXHYMFZIQFRE-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO CCC[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000074290023 406908164 /nfs/dbraw/zinc/90/81/64/406908164.db2.gz MJYOTEUKDHDRFE-UHFFFAOYSA-N 1 1 320.393 1.611 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075781454 406942110 /nfs/dbraw/zinc/94/21/10/406942110.db2.gz LBDYZNUIQOUJTD-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075781454 406942111 /nfs/dbraw/zinc/94/21/11/406942111.db2.gz LBDYZNUIQOUJTD-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046132934 407055610 /nfs/dbraw/zinc/05/56/10/407055610.db2.gz WECJUHNPQVOIPM-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO COc1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000047496594 407075041 /nfs/dbraw/zinc/07/50/41/407075041.db2.gz IGDCWIZEKUOLJF-UHFFFAOYSA-N 1 1 308.334 1.942 20 5 DDBDMO C[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000051383331 407139766 /nfs/dbraw/zinc/13/97/66/407139766.db2.gz PEPRWWLZKPOXEC-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000124109962 407348273 /nfs/dbraw/zinc/34/82/73/407348273.db2.gz NNRSDIUZLRWUQW-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000124109962 407348275 /nfs/dbraw/zinc/34/82/75/407348275.db2.gz NNRSDIUZLRWUQW-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000124852016 407371577 /nfs/dbraw/zinc/37/15/77/407371577.db2.gz MQYWFNSYEKHBES-UHFFFAOYSA-N 1 1 303.322 1.392 20 5 DDBDMO COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806941 407463947 /nfs/dbraw/zinc/46/39/47/407463947.db2.gz OZBGLTRGPAWGJB-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806941 407463957 /nfs/dbraw/zinc/46/39/57/407463957.db2.gz OZBGLTRGPAWGJB-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO NC(=O)CC[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170731154 407483510 /nfs/dbraw/zinc/48/35/10/407483510.db2.gz JLQIOGVKYFKFOT-CYBMUJFWSA-N 1 1 321.377 1.951 20 5 DDBDMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178558079 407491820 /nfs/dbraw/zinc/49/18/20/407491820.db2.gz YZRLKGAEFPCNCX-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000178558079 407491826 /nfs/dbraw/zinc/49/18/26/407491826.db2.gz YZRLKGAEFPCNCX-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170782845 407502212 /nfs/dbraw/zinc/50/22/12/407502212.db2.gz SMJDWJYNUCIBBU-LLVKDONJSA-N 1 1 322.365 1.298 20 5 DDBDMO CC[N@@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C(C)C ZINC000112928324 407448604 /nfs/dbraw/zinc/44/86/04/407448604.db2.gz CCXQATCFCDMCLE-UHFFFAOYSA-N 1 1 308.382 1.853 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](O)C1 ZINC000114204107 407551642 /nfs/dbraw/zinc/55/16/42/407551642.db2.gz DXLGYMVEXQHDKS-JOYOIKCWSA-N 1 1 304.306 1.772 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](O)C1 ZINC000114204107 407551648 /nfs/dbraw/zinc/55/16/48/407551648.db2.gz DXLGYMVEXQHDKS-JOYOIKCWSA-N 1 1 304.306 1.772 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000266555539 407556893 /nfs/dbraw/zinc/55/68/93/407556893.db2.gz VVLGYKRKLZBDPH-GHMZBOCLSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000266555539 407556898 /nfs/dbraw/zinc/55/68/98/407556898.db2.gz VVLGYKRKLZBDPH-GHMZBOCLSA-N 1 1 313.379 1.279 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859375 407630782 /nfs/dbraw/zinc/63/07/82/407630782.db2.gz MTPDTPFZIALKRA-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859375 407630786 /nfs/dbraw/zinc/63/07/86/407630786.db2.gz MTPDTPFZIALKRA-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261984778 407702487 /nfs/dbraw/zinc/70/24/87/407702487.db2.gz AVGVVOVSORCOSH-BBRMVZONSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261984778 407702492 /nfs/dbraw/zinc/70/24/92/407702492.db2.gz AVGVVOVSORCOSH-BBRMVZONSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879306 407710711 /nfs/dbraw/zinc/71/07/11/407710711.db2.gz PTXFMOQIANTXKX-YDHLFZDLSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152912732 407712621 /nfs/dbraw/zinc/71/26/21/407712621.db2.gz DBQKFHXHLXHPHO-ZDUSSCGKSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000152912732 407712622 /nfs/dbraw/zinc/71/26/22/407712622.db2.gz DBQKFHXHLXHPHO-ZDUSSCGKSA-N 1 1 320.324 1.350 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CCO)c1ccccc1 ZINC000267043202 407727837 /nfs/dbraw/zinc/72/78/37/407727837.db2.gz DMIYLMLUYPJDOX-CQSZACIVSA-N 1 1 304.350 1.847 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179183975 407748262 /nfs/dbraw/zinc/74/82/62/407748262.db2.gz OTZHERSBGAPZKQ-UHFFFAOYSA-N 1 1 318.333 1.818 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179183975 407748265 /nfs/dbraw/zinc/74/82/65/407748265.db2.gz OTZHERSBGAPZKQ-UHFFFAOYSA-N 1 1 318.333 1.818 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000117293493 407822759 /nfs/dbraw/zinc/82/27/59/407822759.db2.gz WMEYFXIUJNNAIQ-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000117293493 407822766 /nfs/dbraw/zinc/82/27/66/407822766.db2.gz WMEYFXIUJNNAIQ-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1C1CC1 ZINC000133592208 407863335 /nfs/dbraw/zinc/86/33/35/407863335.db2.gz BIXNSZRZIVMUNB-IUCAKERBSA-N 1 1 306.322 1.050 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268431893 408042234 /nfs/dbraw/zinc/04/22/34/408042234.db2.gz BGJRRIPLDLQPCI-ZDUSSCGKSA-N 1 1 321.425 1.984 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175267692 408091822 /nfs/dbraw/zinc/09/18/22/408091822.db2.gz GKAKQQJNMYBILV-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@H]1CCC[C@](CNC(=O)c2n[nH]cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137899265 408161943 /nfs/dbraw/zinc/16/19/43/408161943.db2.gz DDEKFQDNLRUUOJ-HZMBPMFUSA-N 1 1 309.370 1.558 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000151012934 408239433 /nfs/dbraw/zinc/23/94/33/408239433.db2.gz OBHTUIMKLSEFMG-CQSZACIVSA-N 1 1 321.352 1.973 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269524545 408340839 /nfs/dbraw/zinc/34/08/39/408340839.db2.gz QVNXSTAZZIUDBJ-UHFFFAOYSA-N 1 1 311.386 1.903 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274231997 408335192 /nfs/dbraw/zinc/33/51/92/408335192.db2.gz DZKLVZRVGDPJBX-VIFPVBQESA-N 1 1 312.297 1.737 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274231997 408335196 /nfs/dbraw/zinc/33/51/96/408335196.db2.gz DZKLVZRVGDPJBX-VIFPVBQESA-N 1 1 312.297 1.737 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000269547492 408349358 /nfs/dbraw/zinc/34/93/58/408349358.db2.gz XGDZTEFHWIJXDI-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246876056 408359330 /nfs/dbraw/zinc/35/93/30/408359330.db2.gz WJEZXFKEUYGRMU-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246876056 408359333 /nfs/dbraw/zinc/35/93/33/408359333.db2.gz WJEZXFKEUYGRMU-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000173803680 162366701 /nfs/dbraw/zinc/36/67/01/162366701.db2.gz BUUVMMPNHJUKBP-CQSZACIVSA-N 1 1 308.382 1.808 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247302575 408446141 /nfs/dbraw/zinc/44/61/41/408446141.db2.gz LMICUORNKNXPPL-HZPDHXFCSA-N 1 1 322.361 1.853 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000247302575 408446145 /nfs/dbraw/zinc/44/61/45/408446145.db2.gz LMICUORNKNXPPL-HZPDHXFCSA-N 1 1 322.361 1.853 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000274472958 408420001 /nfs/dbraw/zinc/42/00/01/408420001.db2.gz LMBIUZJERMMEHH-ZDUSSCGKSA-N 1 1 320.393 1.996 20 5 DDBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264286478 408426665 /nfs/dbraw/zinc/42/66/65/408426665.db2.gz KTPNOWVTIIACPO-GFCCVEGCSA-N 1 1 314.345 1.996 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000176943941 408481876 /nfs/dbraw/zinc/48/18/76/408481876.db2.gz OYOLABUSISJQGD-LLVKDONJSA-N 1 1 323.397 1.588 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000192029880 408531056 /nfs/dbraw/zinc/53/10/56/408531056.db2.gz AHOPVGYJAVIQDY-VXGBXAGGSA-N 1 1 322.365 1.514 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247382259 408461482 /nfs/dbraw/zinc/46/14/82/408461482.db2.gz LMOXTLVGWZTGPC-YGRLFVJLSA-N 1 1 306.366 1.710 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000162490735 408708076 /nfs/dbraw/zinc/70/80/76/408708076.db2.gz IIQRPQSOFIXUDC-NOLJZWGESA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000193522084 408725615 /nfs/dbraw/zinc/72/56/15/408725615.db2.gz YGXFCQYJZABWQZ-NSHDSACASA-N 1 1 308.382 1.458 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000162188322 408676919 /nfs/dbraw/zinc/67/69/19/408676919.db2.gz XPSONIUHPPLVKG-CYBMUJFWSA-N 1 1 323.397 1.194 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251714141 408785673 /nfs/dbraw/zinc/78/56/73/408785673.db2.gz KVAYODZSJMPBNN-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251714141 408785674 /nfs/dbraw/zinc/78/56/74/408785674.db2.gz KVAYODZSJMPBNN-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281621460 408898588 /nfs/dbraw/zinc/89/85/88/408898588.db2.gz FUYDCMVLINWAFK-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166584 408935676 /nfs/dbraw/zinc/93/56/76/408935676.db2.gz WOIPALXJXAUSHJ-KBPBESRZSA-N 1 1 323.393 1.772 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174133 408936874 /nfs/dbraw/zinc/93/68/74/408936874.db2.gz WXNUBHGNSABBKV-YOEHRIQHSA-N 1 1 319.405 1.932 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291991089 408957892 /nfs/dbraw/zinc/95/78/92/408957892.db2.gz QNWIQZFCGPSMDA-MRXNPFEDSA-N 1 1 318.377 1.832 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000281952719 408960717 /nfs/dbraw/zinc/96/07/17/408960717.db2.gz FQKFDWBHJKQAIU-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000282094579 408989761 /nfs/dbraw/zinc/98/97/61/408989761.db2.gz OWOJEYKSQXETGV-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO Cc1nc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278682204 409086136 /nfs/dbraw/zinc/08/61/36/409086136.db2.gz DKSIJIXMLYTYAB-GFCCVEGCSA-N 1 1 320.393 1.988 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000287821943 409098693 /nfs/dbraw/zinc/09/86/93/409098693.db2.gz KGLCXQVXCABPHW-JTQLQIEISA-N 1 1 308.338 1.448 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293967864 409217051 /nfs/dbraw/zinc/21/70/51/409217051.db2.gz ULJOLMVAHWISJQ-LSDHHAIUSA-N 1 1 319.361 1.530 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C2CC2)O1 ZINC000279453521 409217867 /nfs/dbraw/zinc/21/78/67/409217867.db2.gz ZQIHUAFFVWWTJW-SMDDNHRTSA-N 1 1 307.350 1.256 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C2CC2)O1 ZINC000279453521 409217870 /nfs/dbraw/zinc/21/78/70/409217870.db2.gz ZQIHUAFFVWWTJW-SMDDNHRTSA-N 1 1 307.350 1.256 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000280278896 409284612 /nfs/dbraw/zinc/28/46/12/409284612.db2.gz NDXFOGUXZVXWEV-HNNXBMFYSA-N 1 1 323.349 1.309 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320812491 164042715 /nfs/dbraw/zinc/04/27/15/164042715.db2.gz LEFNVMALUGXGOS-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320812491 164042718 /nfs/dbraw/zinc/04/27/18/164042718.db2.gz LEFNVMALUGXGOS-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320812491 164042719 /nfs/dbraw/zinc/04/27/19/164042719.db2.gz LEFNVMALUGXGOS-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO C[C@H]1CCOCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280178 164169333 /nfs/dbraw/zinc/16/93/33/164169333.db2.gz JMGOGFHUOUVIAQ-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[N@H+]2CCC[C@H]2C1 ZINC000408024753 164201868 /nfs/dbraw/zinc/20/18/68/164201868.db2.gz GTRPCSFAZFIBLZ-NSHDSACASA-N 1 1 314.345 1.996 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000356835186 409646732 /nfs/dbraw/zinc/64/67/32/409646732.db2.gz CILRDVXOIWPNKM-MNOVXSKESA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000356835186 409646739 /nfs/dbraw/zinc/64/67/39/409646739.db2.gz CILRDVXOIWPNKM-MNOVXSKESA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475251 409663997 /nfs/dbraw/zinc/66/39/97/409663997.db2.gz RNUSOYXKEITLHJ-SWLSCSKDSA-N 1 1 318.377 1.162 20 5 DDBDMO NC(=O)c1cccc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000343056655 410110959 /nfs/dbraw/zinc/11/09/59/410110959.db2.gz VPIAWAPKEXGBOO-VIFPVBQESA-N 1 1 301.306 1.317 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339399026 410161914 /nfs/dbraw/zinc/16/19/14/410161914.db2.gz YNBATDFBURBILB-HOTGVXAUSA-N 1 1 305.378 1.890 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000332695030 410218872 /nfs/dbraw/zinc/21/88/72/410218872.db2.gz RJERJTBNEAAPTB-KOLCDFICSA-N 1 1 321.333 1.536 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351774285 410223740 /nfs/dbraw/zinc/22/37/40/410223740.db2.gz LHMUFKMPQXOKHC-ISTVAULSSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351774285 410223744 /nfs/dbraw/zinc/22/37/44/410223744.db2.gz LHMUFKMPQXOKHC-ISTVAULSSA-N 1 1 323.349 1.243 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](CO)C3)o2)cc1 ZINC000298654196 410330724 /nfs/dbraw/zinc/33/07/24/410330724.db2.gz FLBJJEZWMJFFSF-NSHDSACASA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CO)C3)o2)cc1 ZINC000298654196 410330730 /nfs/dbraw/zinc/33/07/30/410330730.db2.gz FLBJJEZWMJFFSF-NSHDSACASA-N 1 1 318.333 1.849 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343265537 410291881 /nfs/dbraw/zinc/29/18/81/410291881.db2.gz OEBDJCUHHZGPAZ-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343444153 410459267 /nfs/dbraw/zinc/45/92/67/410459267.db2.gz BACASZCRRBFRGP-PWSUYJOCSA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459881 410471364 /nfs/dbraw/zinc/47/13/64/410471364.db2.gz WTJNRUXNCSIALK-DGCLKSJQSA-N 1 1 323.397 1.397 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343462143 410471690 /nfs/dbraw/zinc/47/16/90/410471690.db2.gz SVSKYJSTVGPQLM-PWSUYJOCSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332783 410478681 /nfs/dbraw/zinc/47/86/81/410478681.db2.gz IGYRQWBFOHNGPN-SMDDNHRTSA-N 1 1 319.321 1.899 20 5 DDBDMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH+]1C ZINC000343482765 410486680 /nfs/dbraw/zinc/48/66/80/410486680.db2.gz VVKWNKJSUZFKKC-GHMZBOCLSA-N 1 1 320.349 1.084 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000343511887 410502959 /nfs/dbraw/zinc/50/29/59/410502959.db2.gz JGHXPOMPNDTBTQ-ZWNOBZJWSA-N 1 1 307.350 1.816 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000299101131 410521650 /nfs/dbraw/zinc/52/16/50/410521650.db2.gz ZPXWNKGSSDBAKB-KBPBESRZSA-N 1 1 318.377 1.993 20 5 DDBDMO CC[N@@H+](CCOC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343641436 410589629 /nfs/dbraw/zinc/58/96/29/410589629.db2.gz CCWUCCCKJAWLOG-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359308993 410596035 /nfs/dbraw/zinc/59/60/35/410596035.db2.gz OSVPQFNWOGKSNK-CHWSQXEVSA-N 1 1 318.377 1.383 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000299653694 410601432 /nfs/dbraw/zinc/60/14/32/410601432.db2.gz TZZZJDXHZLSLBH-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2CC2)cc1[N+](=O)[O-] ZINC000355603343 410603746 /nfs/dbraw/zinc/60/37/46/410603746.db2.gz XQRWPYRAHKESBU-UHFFFAOYSA-N 1 1 308.334 1.988 20 5 DDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000352228065 410563295 /nfs/dbraw/zinc/56/32/95/410563295.db2.gz VBZJAZSRRGRBSQ-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000352228065 410563300 /nfs/dbraw/zinc/56/33/00/410563300.db2.gz VBZJAZSRRGRBSQ-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000301150818 410667158 /nfs/dbraw/zinc/66/71/58/410667158.db2.gz MWZFBDRWHZCUPS-LBPRGKRZSA-N 1 1 306.366 1.594 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000301539796 410742441 /nfs/dbraw/zinc/74/24/41/410742441.db2.gz NOGWPNLHSPYBIG-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO COc1cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337375113 410745451 /nfs/dbraw/zinc/74/54/51/410745451.db2.gz ZVPPBUKJRAWFPF-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353040146 410751877 /nfs/dbraw/zinc/75/18/77/410751877.db2.gz NIBAZDMKTGMDLQ-ZBFHGGJFSA-N 1 1 316.361 1.469 20 5 DDBDMO COc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330602658 410817026 /nfs/dbraw/zinc/81/70/26/410817026.db2.gz WUJUJFGIEFRVGN-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330602658 410817033 /nfs/dbraw/zinc/81/70/33/410817033.db2.gz WUJUJFGIEFRVGN-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359809571 410894999 /nfs/dbraw/zinc/89/49/99/410894999.db2.gz QLVCZUSGVSTSNL-JTQLQIEISA-N 1 1 309.370 1.422 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000353351825 410934243 /nfs/dbraw/zinc/93/42/43/410934243.db2.gz NPWGYNHMXZYNTH-UHFFFAOYSA-N 1 1 314.345 1.879 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000373805510 418461908 /nfs/dbraw/zinc/46/19/08/418461908.db2.gz ODQZJDFEPCJMAA-KGLIPLIRSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000373805510 418461909 /nfs/dbraw/zinc/46/19/09/418461909.db2.gz ODQZJDFEPCJMAA-KGLIPLIRSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366953777 418542420 /nfs/dbraw/zinc/54/24/20/418542420.db2.gz GTUHCMIFSDNHGS-AWEZNQCLSA-N 1 1 309.341 1.640 20 5 DDBDMO CN(C)c1nc(NCCNc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000354311168 418646840 /nfs/dbraw/zinc/64/68/40/418646840.db2.gz JSIFKHZEKOONNO-UHFFFAOYSA-N 1 1 302.338 1.975 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000368133901 418694253 /nfs/dbraw/zinc/69/42/53/418694253.db2.gz IDLDZDDNNXPULU-UQOMUDLDSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368133901 418694256 /nfs/dbraw/zinc/69/42/56/418694256.db2.gz IDLDZDDNNXPULU-UQOMUDLDSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368133901 418694257 /nfs/dbraw/zinc/69/42/57/418694257.db2.gz IDLDZDDNNXPULU-UQOMUDLDSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000362061353 418746393 /nfs/dbraw/zinc/74/63/93/418746393.db2.gz AWVJWLBRHGXFAU-LALPHHSUSA-N 1 1 319.361 1.260 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000365614259 418882907 /nfs/dbraw/zinc/88/29/07/418882907.db2.gz SFDGPOYPMCZMPE-SNVBAGLBSA-N 1 1 317.305 1.873 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656131 419372659 /nfs/dbraw/zinc/37/26/59/419372659.db2.gz PJPSQIHSGCPQHB-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954654 419386003 /nfs/dbraw/zinc/38/60/03/419386003.db2.gz ZPLPEHVUYXORML-MNOVXSKESA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954654 419386010 /nfs/dbraw/zinc/38/60/10/419386010.db2.gz ZPLPEHVUYXORML-MNOVXSKESA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418118627 419547672 /nfs/dbraw/zinc/54/76/72/419547672.db2.gz TVCCGWBNOQIJHB-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061857 419611483 /nfs/dbraw/zinc/61/14/83/419611483.db2.gz AKLXPLBKYVCOIC-MCIONIFRSA-N 1 1 324.377 1.427 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000421706855 419691717 /nfs/dbraw/zinc/69/17/17/419691717.db2.gz VYWZMLRPSXHEID-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CNCC[C@H]1C ZINC000414932425 419879364 /nfs/dbraw/zinc/87/93/64/419879364.db2.gz RBXQHEKUBICHDF-JMSVASOKSA-N 1 1 320.393 1.900 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000431832376 229061460 /nfs/dbraw/zinc/06/14/60/229061460.db2.gz GASWBTRWRKLIQC-LBPRGKRZSA-N 1 1 319.361 1.635 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418997860 420042317 /nfs/dbraw/zinc/04/23/17/420042317.db2.gz LNTZLNZTSGAUNV-QWRGUYRKSA-N 1 1 311.386 1.011 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)CN)c([N+](=O)[O-])c1 ZINC000420293663 420187504 /nfs/dbraw/zinc/18/75/04/420187504.db2.gz ROGZOCVIYXAGRO-JTQLQIEISA-N 1 1 310.354 1.211 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)CN)c([N+](=O)[O-])c1 ZINC000420293663 420187509 /nfs/dbraw/zinc/18/75/09/420187509.db2.gz ROGZOCVIYXAGRO-JTQLQIEISA-N 1 1 310.354 1.211 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)CN ZINC000430929559 420211326 /nfs/dbraw/zinc/21/13/26/420211326.db2.gz PEHPXTFTACBPTN-SNVBAGLBSA-N 1 1 310.354 1.211 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CN ZINC000430929559 420211327 /nfs/dbraw/zinc/21/13/27/420211327.db2.gz PEHPXTFTACBPTN-SNVBAGLBSA-N 1 1 310.354 1.211 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416298478 420314727 /nfs/dbraw/zinc/31/47/27/420314727.db2.gz QXAOPILEGCUHOQ-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416298478 420314730 /nfs/dbraw/zinc/31/47/30/420314730.db2.gz QXAOPILEGCUHOQ-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000425545569 420412562 /nfs/dbraw/zinc/41/25/62/420412562.db2.gz KDJUHQYINAFYPN-NSHDSACASA-N 1 1 303.322 1.711 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)nc2c1 ZINC000444689730 230121542 /nfs/dbraw/zinc/12/15/42/230121542.db2.gz OQTYTQARUOFPNU-NURSFMCSSA-N 1 1 302.334 1.674 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)nc2c1 ZINC000444689730 230121544 /nfs/dbraw/zinc/12/15/44/230121544.db2.gz OQTYTQARUOFPNU-NURSFMCSSA-N 1 1 302.334 1.674 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000439102215 420479230 /nfs/dbraw/zinc/47/92/30/420479230.db2.gz SLOOTAAGRDMNBY-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492592903 420600576 /nfs/dbraw/zinc/60/05/76/420600576.db2.gz JCDCBLURZXKSJR-YVMONPNESA-N 1 1 307.350 1.038 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454139319 420805783 /nfs/dbraw/zinc/80/57/83/420805783.db2.gz DQGFJQJNTNLXHH-CQSZACIVSA-N 1 1 322.365 1.563 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493929864 420969056 /nfs/dbraw/zinc/96/90/56/420969056.db2.gz GSUQORKTYHWQFK-YPMHNXCESA-N 1 1 321.333 1.534 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493929864 420969058 /nfs/dbraw/zinc/96/90/58/420969058.db2.gz GSUQORKTYHWQFK-YPMHNXCESA-N 1 1 321.333 1.534 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524790867 421272440 /nfs/dbraw/zinc/27/24/40/421272440.db2.gz WRLFAJGOGRHBOQ-LLVKDONJSA-N 1 1 313.379 1.215 20 5 DDBDMO COCC[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000515641443 421511529 /nfs/dbraw/zinc/51/15/29/421511529.db2.gz RZMDLKOUWJQVNO-UHFFFAOYSA-N 1 1 320.393 1.637 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225689 421535069 /nfs/dbraw/zinc/53/50/69/421535069.db2.gz ATCQPMDXXIVKGQ-JSGCOSHPSA-N 1 1 321.377 1.535 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCC[C@H](C)C1 ZINC000518772205 421666476 /nfs/dbraw/zinc/66/64/76/421666476.db2.gz ZYNLXLMVKZXSSG-RYUDHWBXSA-N 1 1 308.382 1.784 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000571118408 421690010 /nfs/dbraw/zinc/69/00/10/421690010.db2.gz NUUCVMQRZSRSHH-NSHDSACASA-N 1 1 309.370 1.560 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000571223240 421698560 /nfs/dbraw/zinc/69/85/60/421698560.db2.gz BLAPEJBFKITMJD-UHFFFAOYSA-N 1 1 321.377 1.699 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000542652056 421826160 /nfs/dbraw/zinc/82/61/60/421826160.db2.gz UXGAFUVQZIOMTL-NSHDSACASA-N 1 1 323.397 1.903 20 5 DDBDMO CC(C)Oc1nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565848 422350157 /nfs/dbraw/zinc/35/01/57/422350157.db2.gz ISIVTQRRTQGGBC-AAEUAGOBSA-N 1 1 324.381 1.908 20 5 DDBDMO CC(C)Oc1nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565848 422350163 /nfs/dbraw/zinc/35/01/63/422350163.db2.gz ISIVTQRRTQGGBC-AAEUAGOBSA-N 1 1 324.381 1.908 20 5 DDBDMO Nc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc1[N+](=O)[O-] ZINC000599126993 422402611 /nfs/dbraw/zinc/40/26/11/422402611.db2.gz KUXAFLKRKZNFMN-LBPRGKRZSA-N 1 1 305.382 2.391 20 5 DDBDMO Cc1ccnc(NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000609669781 422464569 /nfs/dbraw/zinc/46/45/69/422464569.db2.gz BEESEJDLDCNETP-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1ccnc(NCCC[N@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609669781 422464574 /nfs/dbraw/zinc/46/45/74/422464574.db2.gz BEESEJDLDCNETP-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1ccnc(NCCC[N@@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609669781 422464584 /nfs/dbraw/zinc/46/45/84/422464584.db2.gz BEESEJDLDCNETP-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000345962905 272377141 /nfs/dbraw/zinc/37/71/41/272377141.db2.gz PTDVYNBGDNIVOT-MNOVXSKESA-N 1 1 306.366 1.732 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450959207 274348739 /nfs/dbraw/zinc/34/87/39/274348739.db2.gz XTZNQWDTXQNFGK-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450959207 274348740 /nfs/dbraw/zinc/34/87/40/274348740.db2.gz XTZNQWDTXQNFGK-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@H+]1CCO ZINC000413254912 274364290 /nfs/dbraw/zinc/36/42/90/274364290.db2.gz ZVSUSFHVUSGVAJ-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@H+](CCO)CC2)s1 ZINC000287853726 275034080 /nfs/dbraw/zinc/03/40/80/275034080.db2.gz LSGQJTRJSUBEKF-UHFFFAOYSA-N 1 1 323.378 1.104 20 5 DDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc(N)ccc1[N+](=O)[O-] ZINC000291108432 279118567 /nfs/dbraw/zinc/11/85/67/279118567.db2.gz LETYKKNXGJDLOR-DGCLKSJQSA-N 1 1 306.366 1.476 20 5 DDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264065881 279291208 /nfs/dbraw/zinc/29/12/08/279291208.db2.gz ALYCSATYXPUTEO-UHFFFAOYSA-N 1 1 313.379 1.311 20 5 DDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264065881 279291209 /nfs/dbraw/zinc/29/12/09/279291209.db2.gz ALYCSATYXPUTEO-UHFFFAOYSA-N 1 1 313.379 1.311 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123881886 288242558 /nfs/dbraw/zinc/24/25/58/288242558.db2.gz LHMWSEKAIDAYNM-DTORHVGOSA-N 1 1 317.342 1.105 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000272121504 280655871 /nfs/dbraw/zinc/65/58/71/280655871.db2.gz PWKCWIPREQCERT-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000114458018 281073968 /nfs/dbraw/zinc/07/39/68/281073968.db2.gz UWMQNHDEJMEXEB-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000129858481 281359765 /nfs/dbraw/zinc/35/97/65/281359765.db2.gz PSXWLAHKZBBEAT-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000129858481 281359766 /nfs/dbraw/zinc/35/97/66/281359766.db2.gz PSXWLAHKZBBEAT-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246725786 282010426 /nfs/dbraw/zinc/01/04/26/282010426.db2.gz MHADJYQXKOJFQJ-DGCLKSJQSA-N 1 1 322.340 1.984 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123963808 297061588 /nfs/dbraw/zinc/06/15/88/297061588.db2.gz FZGLJLNHCFQXAB-DTORHVGOSA-N 1 1 317.342 1.105 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357933504 299024853 /nfs/dbraw/zinc/02/48/53/299024853.db2.gz JFCQDHXWHVBZKG-GFCCVEGCSA-N 1 1 323.397 1.569 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000364272391 300366523 /nfs/dbraw/zinc/36/65/23/300366523.db2.gz UYYHJIVZLAAHBZ-UHFFFAOYSA-N 1 1 307.394 1.873 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368349416 301008282 /nfs/dbraw/zinc/00/82/82/301008282.db2.gz RPMWBJHMAZTQPZ-OAHLLOKOSA-N 1 1 304.350 1.466 20 5 DDBDMO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368578584 301056896 /nfs/dbraw/zinc/05/68/96/301056896.db2.gz OLLLWGZKDLVFBD-GFCCVEGCSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1cnn(C)c1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368578584 301056897 /nfs/dbraw/zinc/05/68/97/301056897.db2.gz OLLLWGZKDLVFBD-GFCCVEGCSA-N 1 1 304.354 1.670 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c2c(c1)COCO2 ZINC000370084983 301273226 /nfs/dbraw/zinc/27/32/26/301273226.db2.gz QNLUVWAHOREORB-INIZCTEOSA-N 1 1 320.345 1.808 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140706 303276567 /nfs/dbraw/zinc/27/65/67/303276567.db2.gz RZPWBCMYSSKWNN-NWDGAFQWSA-N 1 1 306.366 1.840 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CCO)CC1 ZINC000532960894 303303164 /nfs/dbraw/zinc/30/31/64/303303164.db2.gz LSCZWADLNHUUCM-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000534338943 303331939 /nfs/dbraw/zinc/33/19/39/303331939.db2.gz GVUNNXQILANMBS-NEPJUHHUSA-N 1 1 321.377 1.697 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000538918458 303392274 /nfs/dbraw/zinc/39/22/74/303392274.db2.gz CKZAEYUCECPRGQ-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000538918458 303392275 /nfs/dbraw/zinc/39/22/75/303392275.db2.gz CKZAEYUCECPRGQ-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000362075627 307013040 /nfs/dbraw/zinc/01/30/40/307013040.db2.gz ISMIGBUSOBAZOO-AAEUAGOBSA-N 1 1 319.361 1.044 20 5 DDBDMO CC1CCC([NH+]2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000363673368 307032917 /nfs/dbraw/zinc/03/29/17/307032917.db2.gz CBDKHKHILKBMRE-MOQPVCNJSA-N 1 1 309.410 1.811 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]CC1 ZINC000364643457 307049326 /nfs/dbraw/zinc/04/93/26/307049326.db2.gz VWMWPULNOURMIP-JTQLQIEISA-N 1 1 317.349 1.685 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367142502 307087042 /nfs/dbraw/zinc/08/70/42/307087042.db2.gz XKUSYUFGUVJORP-OLZOCXBDSA-N 1 1 307.350 1.115 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000372747321 307174607 /nfs/dbraw/zinc/17/46/07/307174607.db2.gz XVKUTRLIRWYKEN-OAHLLOKOSA-N 1 1 305.334 1.978 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1[N+](=O)[O-] ZINC000372747321 307174608 /nfs/dbraw/zinc/17/46/08/307174608.db2.gz XVKUTRLIRWYKEN-OAHLLOKOSA-N 1 1 305.334 1.978 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000373767354 307194842 /nfs/dbraw/zinc/19/48/42/307194842.db2.gz BQBBDLPINAPTCP-AWEZNQCLSA-N 1 1 307.350 1.120 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000373767354 307194843 /nfs/dbraw/zinc/19/48/43/307194843.db2.gz BQBBDLPINAPTCP-AWEZNQCLSA-N 1 1 307.350 1.120 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000567302117 308077395 /nfs/dbraw/zinc/07/73/95/308077395.db2.gz CMERLAUOJYZDDP-LLVKDONJSA-N 1 1 309.370 1.573 20 5 DDBDMO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000567302117 308077396 /nfs/dbraw/zinc/07/73/96/308077396.db2.gz CMERLAUOJYZDDP-LLVKDONJSA-N 1 1 309.370 1.573 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000567302117 308077397 /nfs/dbraw/zinc/07/73/97/308077397.db2.gz CMERLAUOJYZDDP-LLVKDONJSA-N 1 1 309.370 1.573 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567607892 308086627 /nfs/dbraw/zinc/08/66/27/308086627.db2.gz IHXIBKHIUSHURJ-OAHLLOKOSA-N 1 1 306.366 1.347 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000583826832 337337333 /nfs/dbraw/zinc/33/73/33/337337333.db2.gz CMYMSZLRRDDMIJ-UHFFFAOYSA-N 1 1 303.322 1.396 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000584662969 337378562 /nfs/dbraw/zinc/37/85/62/337378562.db2.gz QCNCZJIOUFOQMK-HNNXBMFYSA-N 1 1 305.334 1.458 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000584662969 337378563 /nfs/dbraw/zinc/37/85/63/337378563.db2.gz QCNCZJIOUFOQMK-HNNXBMFYSA-N 1 1 305.334 1.458 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419338959 533949252 /nfs/dbraw/zinc/94/92/52/533949252.db2.gz ZPGZCUBKBBVYRX-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@@H]([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357595 534284930 /nfs/dbraw/zinc/28/49/30/534284930.db2.gz DPHARPFYCGAPOD-YPMHNXCESA-N 1 1 312.366 1.426 20 5 DDBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc3ncc([N+](=O)[O-])n3n1)C2 ZINC000302607993 534505481 /nfs/dbraw/zinc/50/54/81/534505481.db2.gz BBWPRLXXJQINGK-JTQLQIEISA-N 1 1 313.321 1.569 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458170297 528545740 /nfs/dbraw/zinc/54/57/40/528545740.db2.gz OYNHISMMELOEER-LLVKDONJSA-N 1 1 323.397 1.732 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859134 536434802 /nfs/dbraw/zinc/43/48/02/536434802.db2.gz FIZDEHBJZDGWGA-ZYHUDNBSSA-N 1 1 306.366 1.849 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174700852 536801273 /nfs/dbraw/zinc/80/12/73/536801273.db2.gz WQYCPTPBACKFJC-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174700852 536801276 /nfs/dbraw/zinc/80/12/76/536801276.db2.gz WQYCPTPBACKFJC-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO C[N@H+]1CCC[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736857421 598503854 /nfs/dbraw/zinc/50/38/54/598503854.db2.gz NKLATWDFVYFBAW-SNVBAGLBSA-N 1 1 317.353 1.529 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820877007 606706027 /nfs/dbraw/zinc/70/60/27/606706027.db2.gz XZXURUGLDJSLBQ-VIFPVBQESA-N 1 1 320.357 1.312 20 5 DDBDMO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000824860766 608196942 /nfs/dbraw/zinc/19/69/42/608196942.db2.gz XSOQJIDPFURYPR-ZJUUUORDSA-N 1 1 317.353 1.304 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000050696484 696233789 /nfs/dbraw/zinc/23/37/89/696233789.db2.gz HHTHOOYOBXMTEY-UHFFFAOYSA-N 1 1 312.757 1.608 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964248 696378698 /nfs/dbraw/zinc/37/86/98/696378698.db2.gz UJZCOFAZXRSHMP-OLZOCXBDSA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000068964248 696378701 /nfs/dbraw/zinc/37/87/01/696378701.db2.gz UJZCOFAZXRSHMP-OLZOCXBDSA-N 1 1 323.397 1.766 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748348851 700112009 /nfs/dbraw/zinc/11/20/09/700112009.db2.gz LGLJULVIDNMLQN-LLVKDONJSA-N 1 1 307.350 1.308 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000748348851 700112010 /nfs/dbraw/zinc/11/20/10/700112010.db2.gz LGLJULVIDNMLQN-LLVKDONJSA-N 1 1 307.350 1.308 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749954356 700194282 /nfs/dbraw/zinc/19/42/82/700194282.db2.gz KIVLYRNQEFPWLJ-LBPRGKRZSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749954356 700194284 /nfs/dbraw/zinc/19/42/84/700194284.db2.gz KIVLYRNQEFPWLJ-LBPRGKRZSA-N 1 1 305.338 1.716 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000776585903 698122137 /nfs/dbraw/zinc/12/21/37/698122137.db2.gz CTBGIDVLTUBFEA-KBPBESRZSA-N 1 1 312.391 1.428 20 5 DDBDMO C[C@@H]1[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719624983 699302832 /nfs/dbraw/zinc/30/28/32/699302832.db2.gz NLCCIGVLSLZIMT-APPZFPTMSA-N 1 1 315.171 1.679 20 5 DDBDMO C[C@@H]1[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000719624983 699302834 /nfs/dbraw/zinc/30/28/34/699302834.db2.gz NLCCIGVLSLZIMT-APPZFPTMSA-N 1 1 315.171 1.679 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CN1 ZINC000788385346 699310573 /nfs/dbraw/zinc/31/05/73/699310573.db2.gz YZLDFMJUXSNOPB-HNNXBMFYSA-N 1 1 315.333 1.114 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000792409828 699695842 /nfs/dbraw/zinc/69/58/42/699695842.db2.gz QRHZVSKVOJLVKB-AWEZNQCLSA-N 1 1 310.350 1.102 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000739873055 699781537 /nfs/dbraw/zinc/78/15/37/699781537.db2.gz ROSULBUHVMKFBW-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000756861340 700646219 /nfs/dbraw/zinc/64/62/19/700646219.db2.gz CDYMXTXKMQGXLA-OAHLLOKOSA-N 1 1 317.349 1.718 20 5 DDBDMO Nc1c(C(=O)OCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000758964900 700731297 /nfs/dbraw/zinc/73/12/97/700731297.db2.gz OEKGRCLPZVZUFR-UHFFFAOYSA-N 1 1 309.322 1.056 20 5 DDBDMO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000761073770 700839196 /nfs/dbraw/zinc/83/91/96/700839196.db2.gz HKADHOBNYVEKEN-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[N@H+]1C ZINC000761073770 700839199 /nfs/dbraw/zinc/83/91/99/700839199.db2.gz HKADHOBNYVEKEN-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[nH+]1 ZINC000770513705 701281263 /nfs/dbraw/zinc/28/12/63/701281263.db2.gz WYCDRCPLWSYLBA-UHFFFAOYSA-N 1 1 317.305 1.241 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771404460 701318630 /nfs/dbraw/zinc/31/86/30/701318630.db2.gz JCWZYHCBJGRYQF-VHSXEESVSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771404460 701318631 /nfs/dbraw/zinc/31/86/31/701318631.db2.gz JCWZYHCBJGRYQF-VHSXEESVSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724438 701797976 /nfs/dbraw/zinc/79/79/76/701797976.db2.gz IDLDZDDNNXPULU-PMOUVXMZSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724438 701797984 /nfs/dbraw/zinc/79/79/84/701797984.db2.gz IDLDZDDNNXPULU-PMOUVXMZSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724438 701797988 /nfs/dbraw/zinc/79/79/88/701797988.db2.gz IDLDZDDNNXPULU-PMOUVXMZSA-N 1 1 303.362 1.288 20 5 DDBDMO CN(CCOCC1CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956750 701852841 /nfs/dbraw/zinc/85/28/41/701852841.db2.gz SUFZDMUUTXCIFI-INIZCTEOSA-N 1 1 321.377 1.654 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810839422 701859807 /nfs/dbraw/zinc/85/98/07/701859807.db2.gz AYZLUZILNCPNHH-STQMWFEESA-N 1 1 322.365 1.660 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866206016 706648439 /nfs/dbraw/zinc/64/84/39/706648439.db2.gz ICIDIQGBTCXJBY-VXGBXAGGSA-N 1 1 301.350 1.773 20 5 DDBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CO ZINC000817290056 702331311 /nfs/dbraw/zinc/33/13/11/702331311.db2.gz AXJYKBXQRRDMNR-LBPRGKRZSA-N 1 1 302.758 1.812 20 5 DDBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CO ZINC000817290056 702331319 /nfs/dbraw/zinc/33/13/19/702331319.db2.gz AXJYKBXQRRDMNR-LBPRGKRZSA-N 1 1 302.758 1.812 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000843062798 702811294 /nfs/dbraw/zinc/81/12/94/702811294.db2.gz SHTBRKSEGNNHND-INIZCTEOSA-N 1 1 323.393 1.065 20 5 DDBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844446793 703032425 /nfs/dbraw/zinc/03/24/25/703032425.db2.gz JDEVZDYEWOZXNR-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844446793 703032426 /nfs/dbraw/zinc/03/24/26/703032426.db2.gz JDEVZDYEWOZXNR-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571937 706722119 /nfs/dbraw/zinc/72/21/19/706722119.db2.gz USADZQFHIBHPLU-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574458 706723728 /nfs/dbraw/zinc/72/37/28/706723728.db2.gz AAQVEZOWIHEPMO-KBPBESRZSA-N 1 1 318.377 1.220 20 5 DDBDMO CCON(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846064004 703232962 /nfs/dbraw/zinc/23/29/62/703232962.db2.gz ZFUYHYWFGVNGDZ-UHFFFAOYSA-N 1 1 301.730 1.748 20 5 DDBDMO COCC[NH+]1CCC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818974931 704039693 /nfs/dbraw/zinc/03/96/93/704039693.db2.gz ICUFDBVSYKDCOW-MRXNPFEDSA-N 1 1 323.393 1.329 20 5 DDBDMO CN(C[C@@H]1CCCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870871635 704152063 /nfs/dbraw/zinc/15/20/63/704152063.db2.gz IXGPRTFMIMCAFM-GOEBONIOSA-N 1 1 321.377 1.796 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871153140 704232480 /nfs/dbraw/zinc/23/24/80/704232480.db2.gz HZIFMDOWJRLKQJ-UHFFFAOYSA-N 1 1 323.397 1.433 20 5 DDBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000855733404 704499739 /nfs/dbraw/zinc/49/97/39/704499739.db2.gz SANVXIRGHJJKMT-ARFHVFGLSA-N 1 1 317.389 1.427 20 5 DDBDMO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855733404 704499740 /nfs/dbraw/zinc/49/97/40/704499740.db2.gz SANVXIRGHJJKMT-ARFHVFGLSA-N 1 1 317.389 1.427 20 5 DDBDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855733404 704499741 /nfs/dbraw/zinc/49/97/41/704499741.db2.gz SANVXIRGHJJKMT-ARFHVFGLSA-N 1 1 317.389 1.427 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880302215 706933743 /nfs/dbraw/zinc/93/37/43/706933743.db2.gz DPUPHITYDDAWMX-JTQLQIEISA-N 1 1 308.260 1.445 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000880302215 706933745 /nfs/dbraw/zinc/93/37/45/706933745.db2.gz DPUPHITYDDAWMX-JTQLQIEISA-N 1 1 308.260 1.445 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000821782350 704806237 /nfs/dbraw/zinc/80/62/37/704806237.db2.gz XIOQGUOYTKPXFP-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000874827016 705185540 /nfs/dbraw/zinc/18/55/40/705185540.db2.gz AGNBGIWHFWJHRN-QWRGUYRKSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000823973431 705348416 /nfs/dbraw/zinc/34/84/16/705348416.db2.gz HXDKATVXWYGRJV-ZANVPECISA-N 1 1 323.353 1.018 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000823973431 705348418 /nfs/dbraw/zinc/34/84/18/705348418.db2.gz HXDKATVXWYGRJV-ZANVPECISA-N 1 1 323.353 1.018 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000827330866 705977274 /nfs/dbraw/zinc/97/72/74/705977274.db2.gz SKINIXDAJLKNPX-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000827490929 706013251 /nfs/dbraw/zinc/01/32/51/706013251.db2.gz JHPDJJNHUFAHQB-HUUCEWRRSA-N 1 1 321.377 1.427 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000878518886 706414394 /nfs/dbraw/zinc/41/43/94/706414394.db2.gz VBSMKYTXPBZVOR-ZDUSSCGKSA-N 1 1 318.381 1.713 20 5 DDBDMO CCc1nn(C)c(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865998261 706589381 /nfs/dbraw/zinc/58/93/81/706589381.db2.gz AKNLEVFUKWVFIT-JTQLQIEISA-N 1 1 311.386 1.148 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136794 706887915 /nfs/dbraw/zinc/88/79/15/706887915.db2.gz SGDINAJZXIAXOI-ARFHVFGLSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136794 706887917 /nfs/dbraw/zinc/88/79/17/706887917.db2.gz SGDINAJZXIAXOI-ARFHVFGLSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136794 706887921 /nfs/dbraw/zinc/88/79/21/706887921.db2.gz SGDINAJZXIAXOI-ARFHVFGLSA-N 1 1 305.378 1.797 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880169331 706899449 /nfs/dbraw/zinc/89/94/49/706899449.db2.gz QVCSXPIJVQBBTG-AWEZNQCLSA-N 1 1 319.361 1.373 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880614811 707042756 /nfs/dbraw/zinc/04/27/56/707042756.db2.gz ZWFUFXPFYOBTCX-LBPRGKRZSA-N 1 1 323.397 1.288 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219483 708257360 /nfs/dbraw/zinc/25/73/60/708257360.db2.gz LDJGUJPJMUMFSS-CHWSQXEVSA-N 1 1 321.377 1.639 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000885857333 708640880 /nfs/dbraw/zinc/64/08/80/708640880.db2.gz AYCWYMOOHKFWBY-CYBMUJFWSA-N 1 1 319.361 1.578 20 5 DDBDMO CON(C)C(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886213230 708716237 /nfs/dbraw/zinc/71/62/37/708716237.db2.gz OHRSCZBVHVCCRG-UHFFFAOYSA-N 1 1 308.338 1.222 20 5 DDBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000886433767 708760335 /nfs/dbraw/zinc/76/03/35/708760335.db2.gz UBURAXQXCCBFIJ-CQSZACIVSA-N 1 1 304.350 1.765 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886689775 708814479 /nfs/dbraw/zinc/81/44/79/708814479.db2.gz HNFJTXSIDPWHQV-ZDUSSCGKSA-N 1 1 316.365 1.769 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000890081680 709740429 /nfs/dbraw/zinc/74/04/29/709740429.db2.gz KMPZNMOYTMYZBC-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418318 710434074 /nfs/dbraw/zinc/43/40/74/710434074.db2.gz OSNFMOFLKVKIJN-LBPRGKRZSA-N 1 1 306.366 1.736 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893266689 710583042 /nfs/dbraw/zinc/58/30/42/710583042.db2.gz SQKMOQGANXGWNB-UKRRQHHQSA-N 1 1 318.377 1.483 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000893267419 710583074 /nfs/dbraw/zinc/58/30/74/710583074.db2.gz YWGHRFYNGJDSBJ-ZDUSSCGKSA-N 1 1 320.393 1.921 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000928438768 713195831 /nfs/dbraw/zinc/19/58/31/713195831.db2.gz GVCNLTZQIVFTAR-PWSUYJOCSA-N 1 1 307.350 1.734 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC000928438583 713195873 /nfs/dbraw/zinc/19/58/73/713195873.db2.gz GIDSEGYKKFEHRN-BXKDBHETSA-N 1 1 324.356 1.622 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000928445236 713199503 /nfs/dbraw/zinc/19/95/03/713199503.db2.gz PQLCXAPPUCZAIA-FZMZJTMJSA-N 1 1 316.361 1.758 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640405 710835308 /nfs/dbraw/zinc/83/53/08/710835308.db2.gz YNQFIRYNLAILAR-JSGCOSHPSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640405 710835312 /nfs/dbraw/zinc/83/53/12/710835312.db2.gz YNQFIRYNLAILAR-JSGCOSHPSA-N 1 1 317.349 1.920 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928569266 713232277 /nfs/dbraw/zinc/23/22/77/713232277.db2.gz XVYOJIUORHSZDY-VIFPVBQESA-N 1 1 309.322 1.046 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928569266 713232279 /nfs/dbraw/zinc/23/22/79/713232279.db2.gz XVYOJIUORHSZDY-VIFPVBQESA-N 1 1 309.322 1.046 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000894590333 711198454 /nfs/dbraw/zinc/19/84/54/711198454.db2.gz DDUBPOFKJDHRHH-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO C[C@@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895737553 711590756 /nfs/dbraw/zinc/59/07/56/711590756.db2.gz BJCXSFDWTZCKML-ZYHUDNBSSA-N 1 1 316.361 1.951 20 5 DDBDMO C[N@@H+](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000913660237 713276798 /nfs/dbraw/zinc/27/67/98/713276798.db2.gz SAQZRWNBKYIWDX-INIZCTEOSA-N 1 1 321.377 1.403 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896558122 711751664 /nfs/dbraw/zinc/75/16/64/711751664.db2.gz YDZHAUNCFOVBHJ-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1cccc(N2CC[NH+](CCCNCC[N+](=O)[O-])CC2)c1 ZINC000905034365 711914689 /nfs/dbraw/zinc/91/46/89/711914689.db2.gz KPGIIMMPLUVABS-UHFFFAOYSA-N 1 1 306.410 1.373 20 5 DDBDMO CC(=O)Nc1ccc(C[NH+]2CCC(NCC[N+](=O)[O-])CC2)cc1 ZINC000905277595 711989669 /nfs/dbraw/zinc/98/96/69/711989669.db2.gz BLGHDTNXHJUGTL-UHFFFAOYSA-N 1 1 320.393 1.476 20 5 DDBDMO C[C@H]1[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000922556754 714088027 /nfs/dbraw/zinc/08/80/27/714088027.db2.gz JKTKCGRYKMGLSF-JQWIXIFHSA-N 1 1 307.350 1.548 20 5 DDBDMO C[C@H]1[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000922556754 714088030 /nfs/dbraw/zinc/08/80/30/714088030.db2.gz JKTKCGRYKMGLSF-JQWIXIFHSA-N 1 1 307.350 1.548 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000932046867 714245683 /nfs/dbraw/zinc/24/56/83/714245683.db2.gz RQLMURXGHKVIFY-UHFFFAOYSA-N 1 1 309.370 1.090 20 5 DDBDMO Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271837 714782371 /nfs/dbraw/zinc/78/23/71/714782371.db2.gz HFENQDOAEIMLST-HZPDHXFCSA-N 1 1 319.405 1.934 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164669125 719379303 /nfs/dbraw/zinc/37/93/03/719379303.db2.gz QBKCUQXSDZXWPF-KGLIPLIRSA-N 1 1 315.333 1.057 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120901377 782221374 /nfs/dbraw/zinc/22/13/74/782221374.db2.gz MXBCKQIBNYYPRP-UHFFFAOYSA-N 1 1 309.370 1.119 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccccc1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936424 742832414 /nfs/dbraw/zinc/83/24/14/742832414.db2.gz HAYXVRXGCRYTEJ-HUUCEWRRSA-N 1 1 303.362 1.435 20 5 DDBDMO O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662763 747337128 /nfs/dbraw/zinc/33/71/28/747337128.db2.gz LOQGMIAVLGMTBG-ZIAGYGMSSA-N 1 1 307.394 1.280 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001198362458 747464513 /nfs/dbraw/zinc/46/45/13/747464513.db2.gz GATRMTNVZVDJGO-LLVKDONJSA-N 1 1 322.365 1.380 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095574670 750050836 /nfs/dbraw/zinc/05/08/36/750050836.db2.gz IGMXLGUHRWMHCL-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO O=C([C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001169022489 762200941 /nfs/dbraw/zinc/20/09/41/762200941.db2.gz CEVKWGRZQQAQID-RRFJBIMHSA-N 1 1 309.410 1.766 20 5 DDBDMO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544484 758011791 /nfs/dbraw/zinc/01/17/91/758011791.db2.gz UILYABSQUWHERR-LXTVHRRPSA-N 1 1 309.410 1.763 20 5 DDBDMO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544484 758011806 /nfs/dbraw/zinc/01/18/06/758011806.db2.gz UILYABSQUWHERR-LXTVHRRPSA-N 1 1 309.410 1.763 20 5 DDBDMO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544484 758011815 /nfs/dbraw/zinc/01/18/15/758011815.db2.gz UILYABSQUWHERR-LXTVHRRPSA-N 1 1 309.410 1.763 20 5 DDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000829037764 759864825 /nfs/dbraw/zinc/86/48/25/759864825.db2.gz MIXZTHJYWZHKFB-IINYFYTJSA-N 1 1 324.356 1.098 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC2CCCCC2)C1 ZINC001042704947 764373097 /nfs/dbraw/zinc/37/30/97/764373097.db2.gz CTVQQJOOTJHPLU-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291494 764719220 /nfs/dbraw/zinc/71/92/20/764719220.db2.gz RPXWXGRXIQZDCO-HZPDHXFCSA-N 1 1 317.389 1.736 20 5 DDBDMO CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051291494 764719225 /nfs/dbraw/zinc/71/92/25/764719225.db2.gz RPXWXGRXIQZDCO-HZPDHXFCSA-N 1 1 317.389 1.736 20 5 DDBDMO CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051291494 764719235 /nfs/dbraw/zinc/71/92/35/764719235.db2.gz RPXWXGRXIQZDCO-HZPDHXFCSA-N 1 1 317.389 1.736 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334314 766256827 /nfs/dbraw/zinc/25/68/27/766256827.db2.gz CAJBUYDAPHSDCN-RBOXIYTFSA-N 1 1 324.377 1.210 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525498 769492636 /nfs/dbraw/zinc/49/26/36/769492636.db2.gz XJYNOKISQGBGIL-YIDVYQOGSA-N 1 1 321.421 1.811 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525498 769492640 /nfs/dbraw/zinc/49/26/40/769492640.db2.gz XJYNOKISQGBGIL-YIDVYQOGSA-N 1 1 321.421 1.811 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525498 769492647 /nfs/dbraw/zinc/49/26/47/769492647.db2.gz XJYNOKISQGBGIL-YIDVYQOGSA-N 1 1 321.421 1.811 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC001136342058 771942665 /nfs/dbraw/zinc/94/26/65/771942665.db2.gz BPLGQPXBJKAXBL-SECBINFHSA-N 1 1 311.313 1.424 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)C[N@H+](C)C(C)C ZINC001094456730 775894689 /nfs/dbraw/zinc/89/46/89/775894689.db2.gz PJGREBYEXITNDC-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912885 776942975 /nfs/dbraw/zinc/94/29/75/776942975.db2.gz CGPXEKBKCLDTLO-GUTXKFCHSA-N 1 1 321.352 1.740 20 5 DDBDMO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912885 776942976 /nfs/dbraw/zinc/94/29/76/776942976.db2.gz CGPXEKBKCLDTLO-GUTXKFCHSA-N 1 1 321.352 1.740 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173221010 777053150 /nfs/dbraw/zinc/05/31/50/777053150.db2.gz FGARWIVFGRAKBR-BLLLJJGKSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@](CO)([NH2+]Cc1cc(=O)c(O)co1)c1cccc([N+](=O)[O-])c1 ZINC001175322339 777751173 /nfs/dbraw/zinc/75/11/73/777751173.db2.gz BEFKLGCAZLOPFZ-OAHLLOKOSA-N 1 1 320.301 1.251 20 5 DDBDMO CNS(=O)(=O)c1ccc(Nc2[nH]cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC001116319047 780496326 /nfs/dbraw/zinc/49/63/26/780496326.db2.gz IWYFXVUMTQKKKQ-UHFFFAOYSA-N 1 1 311.323 1.278 20 5 DDBDMO C[C@@](O)(C[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307064 781400876 /nfs/dbraw/zinc/40/08/76/781400876.db2.gz ZOSCEALOKGQACL-DLBZAZTESA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@@](O)(C[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307064 781400878 /nfs/dbraw/zinc/40/08/78/781400878.db2.gz ZOSCEALOKGQACL-DLBZAZTESA-N 1 1 320.389 1.865 20 5 DDBDMO CCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001267194776 837511897 /nfs/dbraw/zinc/51/18/97/837511897.db2.gz XYIRKRURHOKGOJ-HUUCEWRRSA-N 1 1 305.378 1.462 20 5 DDBDMO CCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001267194776 837511905 /nfs/dbraw/zinc/51/19/05/837511905.db2.gz XYIRKRURHOKGOJ-HUUCEWRRSA-N 1 1 305.378 1.462 20 5 DDBDMO CCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001267194776 837511917 /nfs/dbraw/zinc/51/19/17/837511917.db2.gz XYIRKRURHOKGOJ-HUUCEWRRSA-N 1 1 305.378 1.462 20 5 DDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001121794116 858597970 /nfs/dbraw/zinc/59/79/70/858597970.db2.gz WMZWWXYOIOLOHX-GFCCVEGCSA-N 1 1 310.402 1.556 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157263706 863691505 /nfs/dbraw/zinc/69/15/05/863691505.db2.gz BLGDZVAIBDNVEI-GHMZBOCLSA-N 1 1 307.354 1.232 20 5 DDBDMO COc1cc(NCC2([NH+]3CCCC3)COC2)ncc1[N+](=O)[O-] ZINC001157655330 864020032 /nfs/dbraw/zinc/02/00/32/864020032.db2.gz PEAGPOOIIJDSLE-UHFFFAOYSA-N 1 1 308.338 1.275 20 5 DDBDMO O=C(NCCC[NH2+]Cc1cc2ccccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761598 864110684 /nfs/dbraw/zinc/11/06/84/864110684.db2.gz SUIGWNLBLYOIJV-ZIAGYGMSSA-N 1 1 317.345 1.694 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767040 864118044 /nfs/dbraw/zinc/11/80/44/864118044.db2.gz DWVUGRSSCQYQDG-HZPDHXFCSA-N 1 1 317.389 1.825 20 5 DDBDMO C[N@@H+](C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1)[C@H]1CCOC1 ZINC001158736465 864871010 /nfs/dbraw/zinc/87/10/10/864871010.db2.gz NBWQIINVNBNXDG-JTQLQIEISA-N 1 1 317.349 1.380 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001332401690 865814330 /nfs/dbraw/zinc/81/43/30/865814330.db2.gz KHYRDRSRDPNIIW-GJZGRUSLSA-N 1 1 318.377 1.945 20 5 DDBDMO CC(=O)NC[C@@H](C)CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160656802 865999996 /nfs/dbraw/zinc/99/99/96/865999996.db2.gz SAWIFQMJWOAERM-MVIFTORASA-N 1 1 321.381 1.706 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333721525 866962418 /nfs/dbraw/zinc/96/24/18/866962418.db2.gz IKMANHXZMYLWKT-ABAIWWIYSA-N 1 1 317.349 1.574 20 5 DDBDMO Cn1nccc1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001161875917 867063978 /nfs/dbraw/zinc/06/39/78/867063978.db2.gz KHKHAQFCWGKPOT-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO Cn1nccc1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001161875917 867063994 /nfs/dbraw/zinc/06/39/94/867063994.db2.gz KHKHAQFCWGKPOT-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001333874568 867101784 /nfs/dbraw/zinc/10/17/84/867101784.db2.gz BCYJXLWQOYJSRJ-GFCCVEGCSA-N 1 1 318.377 1.962 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC001163063115 868048464 /nfs/dbraw/zinc/04/84/64/868048464.db2.gz YFDYYDWDWYESQF-OAHLLOKOSA-N 1 1 322.365 1.422 20 5 DDBDMO COc1ccc([N+](=O)[O-])nc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164212003 869017955 /nfs/dbraw/zinc/01/79/55/869017955.db2.gz VDKNDEFCWPNRJW-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC([NH2+]C2COC2)C1 ZINC001164220786 869030059 /nfs/dbraw/zinc/03/00/59/869030059.db2.gz NDHZRKCFAOZXQB-UHFFFAOYSA-N 1 1 300.318 1.320 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001338083935 869791020 /nfs/dbraw/zinc/79/10/20/869791020.db2.gz LTUGOHOVOAPTHT-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001338083935 869791026 /nfs/dbraw/zinc/79/10/26/869791026.db2.gz LTUGOHOVOAPTHT-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO NC(=O)[C@@H]1CN(c2ccc3ccc4cccnc4c3n2)CC[NH2+]1 ZINC001166723921 870193364 /nfs/dbraw/zinc/19/33/64/870193364.db2.gz NQHPTGPOIZTHPZ-ZDUSSCGKSA-N 1 1 307.357 1.047 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226431668 882426508 /nfs/dbraw/zinc/42/65/08/882426508.db2.gz QAKZBNILOSUARI-SNVBAGLBSA-N 1 1 324.333 1.863 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC001339997588 870830823 /nfs/dbraw/zinc/83/08/23/870830823.db2.gz DRMXPZKIRXRUST-AEJSXWLSSA-N 1 1 303.322 1.883 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001308171581 871478283 /nfs/dbraw/zinc/47/82/83/871478283.db2.gz VKCLWKIADIORFB-CABCVRRESA-N 1 1 324.381 1.187 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CCC(CC(N)=O)CC2)c1[N+](=O)[O-] ZINC001308624829 871517013 /nfs/dbraw/zinc/51/70/13/871517013.db2.gz DHMMZIFLVPNQPV-UHFFFAOYSA-N 1 1 323.349 1.396 20 5 DDBDMO NC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001308779490 871529339 /nfs/dbraw/zinc/52/93/39/871529339.db2.gz AUVYSGSPFUEQHC-AWEZNQCLSA-N 1 1 300.318 1.349 20 5 DDBDMO CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001345464655 873412638 /nfs/dbraw/zinc/41/26/38/873412638.db2.gz AJSKPXZKMPDTEP-GUTXKFCHSA-N 1 1 307.350 1.405 20 5 DDBDMO CC(C)(CCC(=O)OC[C@H]1CC[N@H+]1C1CCOCC1)[N+](=O)[O-] ZINC001345667587 873470265 /nfs/dbraw/zinc/47/02/65/873470265.db2.gz ZNGWXXBCZRJNRW-CYBMUJFWSA-N 1 1 314.382 1.618 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998645 874915169 /nfs/dbraw/zinc/91/51/69/874915169.db2.gz MLTKTYAHMOTCFZ-NEPJUHHUSA-N 1 1 322.340 1.625 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(Cl)n3)[C@H]1CC(=O)C2 ZINC001228934448 883736286 /nfs/dbraw/zinc/73/62/86/883736286.db2.gz PNPULZODFKTVKZ-WHGOUJPWSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])c(Cl)n3)[C@H]1CC(=O)C2 ZINC001228934448 883736300 /nfs/dbraw/zinc/73/63/00/883736300.db2.gz PNPULZODFKTVKZ-WHGOUJPWSA-N 1 1 311.725 1.826 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278361394 214115906 /nfs/dbraw/zinc/11/59/06/214115906.db2.gz AWAZFSUSKFNMHZ-CQSZACIVSA-N 1 1 319.361 1.846 20 5 DDBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000081904032 192336166 /nfs/dbraw/zinc/33/61/66/192336166.db2.gz FKEKIYQUUDLSOX-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083171492 185215694 /nfs/dbraw/zinc/21/56/94/185215694.db2.gz RPTCWWAGXLJOFU-SNVBAGLBSA-N 1 1 318.333 1.694 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083171492 185215695 /nfs/dbraw/zinc/21/56/95/185215695.db2.gz RPTCWWAGXLJOFU-SNVBAGLBSA-N 1 1 318.333 1.694 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452391451 231375617 /nfs/dbraw/zinc/37/56/17/231375617.db2.gz QBKHTUIDYDBQRK-GFCCVEGCSA-N 1 1 307.350 1.171 20 5 DDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000296743035 529699959 /nfs/dbraw/zinc/69/99/59/529699959.db2.gz ASLMAOBBQQQPLH-JTQLQIEISA-N 1 1 309.370 1.193 20 5 DDBDMO CN(C)c1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000445000845 529774235 /nfs/dbraw/zinc/77/42/35/529774235.db2.gz PQRHPNHENSVUNS-UHFFFAOYSA-N 1 1 303.278 1.409 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000181562071 199317459 /nfs/dbraw/zinc/31/74/59/199317459.db2.gz ZGOFVNJCMWRHLN-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745139 529792323 /nfs/dbraw/zinc/79/23/23/529792323.db2.gz NTIKCVAUNSIPHG-TZNOJPMFSA-N 1 1 307.325 1.815 20 5 DDBDMO C[N@@H+](CCCCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457203335 529882896 /nfs/dbraw/zinc/88/28/96/529882896.db2.gz OLWOPFMMUGWSKS-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@H+]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491874426 530053178 /nfs/dbraw/zinc/05/31/78/530053178.db2.gz VODGKKADEZEMHZ-XQRVVYSFSA-N 1 1 307.325 1.911 20 5 DDBDMO C[NH+]1CCN(CCC(C)(C)Nc2ncccc2[N+](=O)[O-])CC1 ZINC000302265131 530072210 /nfs/dbraw/zinc/07/22/10/530072210.db2.gz QODOCUDEQVIYQL-UHFFFAOYSA-N 1 1 307.398 1.818 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330915848 232160996 /nfs/dbraw/zinc/16/09/96/232160996.db2.gz URUDUWLRVLFSNW-VXGBXAGGSA-N 1 1 306.366 1.606 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286770072 219157121 /nfs/dbraw/zinc/15/71/21/219157121.db2.gz ZUBHWUABKQBPCV-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO Cn1cncc1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379233 233147272 /nfs/dbraw/zinc/14/72/72/233147272.db2.gz PDLGEGNAELSWTK-GFCCVEGCSA-N 1 1 316.365 1.452 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181883895 186214849 /nfs/dbraw/zinc/21/48/49/186214849.db2.gz HQTWBPQFXXAAQZ-JTQLQIEISA-N 1 1 307.306 1.148 20 5 DDBDMO CCn1cnnc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564845228 304018990 /nfs/dbraw/zinc/01/89/90/304018990.db2.gz SBZVJJCAGVLOCO-UHFFFAOYSA-N 1 1 318.337 1.325 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000041423263 352307325 /nfs/dbraw/zinc/30/73/25/352307325.db2.gz ZWTYRUDJNXFZED-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000043085834 352360272 /nfs/dbraw/zinc/36/02/72/352360272.db2.gz FKWORRPFEYYIDH-RYUDHWBXSA-N 1 1 309.370 1.170 20 5 DDBDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000044521418 352387497 /nfs/dbraw/zinc/38/74/97/352387497.db2.gz FNIXITJXMUASFJ-NEPJUHHUSA-N 1 1 313.423 1.129 20 5 DDBDMO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000053506618 352659237 /nfs/dbraw/zinc/65/92/37/352659237.db2.gz DXIBHCWGSSQEQO-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491577356 234207358 /nfs/dbraw/zinc/20/73/58/234207358.db2.gz VRKSHLLSOWRYBQ-MALLOTDXSA-N 1 1 307.325 1.910 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc2sccn21 ZINC000064337432 352934273 /nfs/dbraw/zinc/93/42/73/352934273.db2.gz XYHZFJRXEWLBRM-UWVGGRQHSA-N 1 1 323.378 1.579 20 5 DDBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703310 353063757 /nfs/dbraw/zinc/06/37/57/353063757.db2.gz DPLVMRLCLLUMMM-GFCCVEGCSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H](O)CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072714981 353211812 /nfs/dbraw/zinc/21/18/12/353211812.db2.gz MEMFOFRWFRKOFZ-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072714981 353211815 /nfs/dbraw/zinc/21/18/15/353211815.db2.gz MEMFOFRWFRKOFZ-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332012028 234386676 /nfs/dbraw/zinc/38/66/76/234386676.db2.gz SGHRPCRYVRAJPQ-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074288475 353304984 /nfs/dbraw/zinc/30/49/84/353304984.db2.gz LXODERJXTFFJAO-LBPRGKRZSA-N 1 1 313.379 1.095 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000078618993 353525412 /nfs/dbraw/zinc/52/54/12/353525412.db2.gz FFKVHUJUFHILRW-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000078618993 353525415 /nfs/dbraw/zinc/52/54/15/353525415.db2.gz FFKVHUJUFHILRW-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CCO1 ZINC000079427309 353560629 /nfs/dbraw/zinc/56/06/29/353560629.db2.gz DRTZLMWKWCLPDI-LLVKDONJSA-N 1 1 322.365 1.248 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1O ZINC000080466981 353609513 /nfs/dbraw/zinc/60/95/13/353609513.db2.gz MJJOEPKTTUQPIO-HIFRSBDPSA-N 1 1 319.361 1.329 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175171686 198438930 /nfs/dbraw/zinc/43/89/30/198438930.db2.gz NQEDNZDSGCMDOJ-UHFFFAOYSA-N 1 1 324.381 1.362 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000081527122 353680826 /nfs/dbraw/zinc/68/08/26/353680826.db2.gz DTHDGSSOUOGRJG-NSHDSACASA-N 1 1 322.365 1.156 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000081527122 353680828 /nfs/dbraw/zinc/68/08/28/353680828.db2.gz DTHDGSSOUOGRJG-NSHDSACASA-N 1 1 322.365 1.156 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305730642 354471195 /nfs/dbraw/zinc/47/11/95/354471195.db2.gz KIYQMCRENGQLKC-HZMBPMFUSA-N 1 1 307.350 1.625 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000585783472 354842277 /nfs/dbraw/zinc/84/22/77/354842277.db2.gz CXDXLTLPIXUHOA-STQMWFEESA-N 1 1 308.382 1.762 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588862578 354944010 /nfs/dbraw/zinc/94/40/10/354944010.db2.gz GNUWJJLRWMGECZ-KBPBESRZSA-N 1 1 319.361 1.184 20 5 DDBDMO CN(CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046410 355043245 /nfs/dbraw/zinc/04/32/45/355043245.db2.gz CKRSECMEWLYSPC-SWLSCSKDSA-N 1 1 318.377 1.194 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590046692 355043898 /nfs/dbraw/zinc/04/38/98/355043898.db2.gz MMNCGAYGBVSGDE-HIFRSBDPSA-N 1 1 303.362 1.608 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444457 355098119 /nfs/dbraw/zinc/09/81/19/355098119.db2.gz LZJTWHXXBUCMKJ-QPUJVOFHSA-N 1 1 308.313 1.092 20 5 DDBDMO O=C(CC[N@H+](CCCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014561 355232348 /nfs/dbraw/zinc/23/23/48/355232348.db2.gz QNLUWORAVHPQRK-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281843 355277488 /nfs/dbraw/zinc/27/74/88/355277488.db2.gz OOSVPOFGYQWBHW-GVXVVHGQSA-N 1 1 324.356 1.602 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000593019056 355771478 /nfs/dbraw/zinc/77/14/78/355771478.db2.gz DGQLKQOJIFOPFB-NEPJUHHUSA-N 1 1 321.377 1.906 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032353 355775183 /nfs/dbraw/zinc/77/51/83/355775183.db2.gz YVZCVTSPRQAEBC-AWEZNQCLSA-N 1 1 321.377 1.907 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593065153 355784699 /nfs/dbraw/zinc/78/46/99/355784699.db2.gz YAVSHMWGQFVLHK-VHDGCEQUSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593065153 355784704 /nfs/dbraw/zinc/78/47/04/355784704.db2.gz YAVSHMWGQFVLHK-VHDGCEQUSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187718 355820073 /nfs/dbraw/zinc/82/00/73/355820073.db2.gz OIVRHKYZESLSSV-JHJVBQTASA-N 1 1 321.377 1.913 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593483545 355899764 /nfs/dbraw/zinc/89/97/64/355899764.db2.gz ZWHRDRQQQKASHO-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108049 356115406 /nfs/dbraw/zinc/11/54/06/356115406.db2.gz PHOHVBGMMQJNRU-SDDRHHMPSA-N 1 1 324.381 1.161 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108049 356115413 /nfs/dbraw/zinc/11/54/13/356115413.db2.gz PHOHVBGMMQJNRU-SDDRHHMPSA-N 1 1 324.381 1.161 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000593994749 356082172 /nfs/dbraw/zinc/08/21/72/356082172.db2.gz JBIHBEHEJQTNAQ-ZDUSSCGKSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000593994749 356082176 /nfs/dbraw/zinc/08/21/76/356082176.db2.gz JBIHBEHEJQTNAQ-ZDUSSCGKSA-N 1 1 307.350 1.656 20 5 DDBDMO CC(C)CNC(=O)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423286 356486902 /nfs/dbraw/zinc/48/69/02/356486902.db2.gz LIGGHILXMBBKFW-UHFFFAOYSA-N 1 1 320.393 1.900 20 5 DDBDMO CC(C)CNC(=O)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595423286 356486906 /nfs/dbraw/zinc/48/69/06/356486906.db2.gz LIGGHILXMBBKFW-UHFFFAOYSA-N 1 1 320.393 1.900 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425005 356487592 /nfs/dbraw/zinc/48/75/92/356487592.db2.gz QUUPAXKJVJIZLP-AWEZNQCLSA-N 1 1 308.382 1.049 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081555455 192291068 /nfs/dbraw/zinc/29/10/68/192291068.db2.gz UDQQFZHOAYQJST-NSHDSACASA-N 1 1 322.365 1.156 20 5 DDBDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000595553971 356548150 /nfs/dbraw/zinc/54/81/50/356548150.db2.gz CCCADMYHOMOIBQ-YNEHKIRRSA-N 1 1 324.381 1.843 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595741349 356630487 /nfs/dbraw/zinc/63/04/87/356630487.db2.gz MXSGOSBVTLBLFC-GWCFXTLKSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595741349 356630490 /nfs/dbraw/zinc/63/04/90/356630490.db2.gz MXSGOSBVTLBLFC-GWCFXTLKSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595744233 356632263 /nfs/dbraw/zinc/63/22/63/356632263.db2.gz UUBOYUKBTWJOIP-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595738480 356629493 /nfs/dbraw/zinc/62/94/93/356629493.db2.gz JDHDEEUXBNLMOU-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767449 356644658 /nfs/dbraw/zinc/64/46/58/356644658.db2.gz XKZTXERIGOUDCY-YNEHKIRRSA-N 1 1 310.350 1.180 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595823896 356664885 /nfs/dbraw/zinc/66/48/85/356664885.db2.gz SYMVQVISVGYNDO-ZDUSSCGKSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595823896 356664888 /nfs/dbraw/zinc/66/48/88/356664888.db2.gz SYMVQVISVGYNDO-ZDUSSCGKSA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876239 356688606 /nfs/dbraw/zinc/68/86/06/356688606.db2.gz RCSWIXFKNAAHQK-WBMJQRKESA-N 1 1 321.377 1.874 20 5 DDBDMO CC(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000596066580 356759542 /nfs/dbraw/zinc/75/95/42/356759542.db2.gz GNFIFLIJFYVVGO-GFCCVEGCSA-N 1 1 310.354 1.464 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268993 356838682 /nfs/dbraw/zinc/83/86/82/356838682.db2.gz PRGRALJEKOAPHZ-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO CCOc1cc(C[NH+]2CCC(NC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000276874682 213146647 /nfs/dbraw/zinc/14/66/47/213146647.db2.gz HZUADOYKLRKGMY-UHFFFAOYSA-N 1 1 322.365 1.626 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000597858578 357361172 /nfs/dbraw/zinc/36/11/72/357361172.db2.gz NOXNVAOGPGTAPD-LBPRGKRZSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923778 357383764 /nfs/dbraw/zinc/38/37/64/357383764.db2.gz POQMNVMFRCGDEP-NSHDSACASA-N 1 1 309.370 1.089 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342229 357545039 /nfs/dbraw/zinc/54/50/39/357545039.db2.gz KVKWQOOGZHPOQW-CYBMUJFWSA-N 1 1 321.377 1.746 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598343341 357545677 /nfs/dbraw/zinc/54/56/77/357545677.db2.gz VEHOFCURLGNCHU-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598561308 357633077 /nfs/dbraw/zinc/63/30/77/357633077.db2.gz PQCAJDRDFZKVKD-CYBMUJFWSA-N 1 1 321.381 1.030 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644994 358005109 /nfs/dbraw/zinc/00/51/09/358005109.db2.gz OGAVPRUOVCDADS-WVSHTKLVSA-N 1 1 321.333 1.157 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000599659046 358012825 /nfs/dbraw/zinc/01/28/25/358012825.db2.gz OAXNDBFFFKBLNB-MJBXVCDLSA-N 1 1 322.365 1.455 20 5 DDBDMO COC(=O)c1cnc(N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000276712126 213061475 /nfs/dbraw/zinc/06/14/75/213061475.db2.gz JJYVVRSKWQBJCY-NSHDSACASA-N 1 1 322.365 1.554 20 5 DDBDMO Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599772475 358054172 /nfs/dbraw/zinc/05/41/72/358054172.db2.gz RCANJDFDSYHLSC-LBPRGKRZSA-N 1 1 308.338 1.091 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600313105 358193330 /nfs/dbraw/zinc/19/33/30/358193330.db2.gz HSYQTXBGBBZRPR-NSHDSACASA-N 1 1 323.397 1.732 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000600814435 358322799 /nfs/dbraw/zinc/32/27/99/358322799.db2.gz GLCZPDHNOLXLSG-UHFFFAOYSA-N 1 1 306.366 1.607 20 5 DDBDMO COc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000600816787 358323610 /nfs/dbraw/zinc/32/36/10/358323610.db2.gz SEEOZOVVDLCQIJ-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(CO)CCOCC3)c2c1 ZINC000601132265 358415720 /nfs/dbraw/zinc/41/57/20/358415720.db2.gz DCKGSKWIHRPGGR-UHFFFAOYSA-N 1 1 317.345 1.766 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3COC[C@H]3O)cs2)c1 ZINC000601140176 358418074 /nfs/dbraw/zinc/41/80/74/358418074.db2.gz VCHGGIJFCHFFNR-QWHCGFSZSA-N 1 1 321.358 1.568 20 5 DDBDMO C[C@](CO)([NH2+]Cc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601148429 358422668 /nfs/dbraw/zinc/42/26/68/358422668.db2.gz BOUVTFJBKLWGFB-MRXNPFEDSA-N 1 1 316.361 1.735 20 5 DDBDMO Cn1nnc2c1CC[C@@H](Nc1cc[nH+]c3ccc([N+](=O)[O-])cc13)C2 ZINC000601186830 358439422 /nfs/dbraw/zinc/43/94/22/358439422.db2.gz CBCVQADFACTVAP-SNVBAGLBSA-N 1 1 324.344 1.663 20 5 DDBDMO CN(C[C@@H]1COCCO1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601195014 358442318 /nfs/dbraw/zinc/44/23/18/358442318.db2.gz ZTHLFYBLSVYEBH-GFCCVEGCSA-N 1 1 303.318 1.995 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000601970241 358758908 /nfs/dbraw/zinc/75/89/08/358758908.db2.gz NFMIIZAHHPQZOI-CQSZACIVSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000602482361 359008771 /nfs/dbraw/zinc/00/87/71/359008771.db2.gz FNZOCNGWIYKYMU-YPMHNXCESA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000602482361 359008772 /nfs/dbraw/zinc/00/87/72/359008772.db2.gz FNZOCNGWIYKYMU-YPMHNXCESA-N 1 1 304.354 1.608 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000602772813 359179208 /nfs/dbraw/zinc/17/92/08/359179208.db2.gz KTPUANCEKGVTNH-AWEZNQCLSA-N 1 1 304.350 1.765 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000602733360 359155243 /nfs/dbraw/zinc/15/52/43/359155243.db2.gz BGKQDYINYQPCSE-ZACQAIPSSA-N 1 1 319.405 1.981 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000602733360 359155245 /nfs/dbraw/zinc/15/52/45/359155245.db2.gz BGKQDYINYQPCSE-ZACQAIPSSA-N 1 1 319.405 1.981 20 5 DDBDMO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000602807565 359204066 /nfs/dbraw/zinc/20/40/66/359204066.db2.gz BFUYQXNDTZXPIJ-LBPRGKRZSA-N 1 1 306.370 1.920 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602823128 359216852 /nfs/dbraw/zinc/21/68/52/359216852.db2.gz YUGJCAGSRPPTMG-DZGCQCFKSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1nn(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322098 359568196 /nfs/dbraw/zinc/56/81/96/359568196.db2.gz SVGDLFHDHVMAKA-PHIMTYICSA-N 1 1 319.365 1.757 20 5 DDBDMO Cc1nn(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322098 359568203 /nfs/dbraw/zinc/56/82/03/359568203.db2.gz SVGDLFHDHVMAKA-PHIMTYICSA-N 1 1 319.365 1.757 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000186915321 200030256 /nfs/dbraw/zinc/03/02/56/200030256.db2.gz NTUAGCVDPLSWLR-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000186915321 200030258 /nfs/dbraw/zinc/03/02/58/200030258.db2.gz NTUAGCVDPLSWLR-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186879206 200025709 /nfs/dbraw/zinc/02/57/09/200025709.db2.gz FJBBQDJVHUNRMA-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000603428534 359633879 /nfs/dbraw/zinc/63/38/79/359633879.db2.gz OKMCDSNOJNYIQG-UHFFFAOYSA-N 1 1 306.366 1.830 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000604266912 359731208 /nfs/dbraw/zinc/73/12/08/359731208.db2.gz NQDZZGWHHYJEFP-UHFFFAOYSA-N 1 1 323.397 1.370 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188524330 200261865 /nfs/dbraw/zinc/26/18/65/200261865.db2.gz FKZITVRSUYUZRD-UHFFFAOYSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@]1(O)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000189071995 200344194 /nfs/dbraw/zinc/34/41/94/200344194.db2.gz ZOATZZNGEBCZKP-AWEZNQCLSA-N 1 1 311.313 1.519 20 5 DDBDMO C[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271196 360404868 /nfs/dbraw/zinc/40/48/68/360404868.db2.gz JWMXABVBMAZRSW-DGCLKSJQSA-N 1 1 321.377 1.938 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610636252 360487796 /nfs/dbraw/zinc/48/77/96/360487796.db2.gz CQCXGVGNVCRSIH-CYBMUJFWSA-N 1 1 320.393 1.328 20 5 DDBDMO Cc1nc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754537 360528104 /nfs/dbraw/zinc/52/81/04/360528104.db2.gz YEBMANHUYWRSSV-CQSZACIVSA-N 1 1 320.393 1.989 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000619578934 364070796 /nfs/dbraw/zinc/07/07/96/364070796.db2.gz UZDOEUORQHKZIL-GFCCVEGCSA-N 1 1 306.366 1.855 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000619567162 364063218 /nfs/dbraw/zinc/06/32/18/364063218.db2.gz XVGGKCDPTSOELF-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264659467 204060320 /nfs/dbraw/zinc/06/03/20/204060320.db2.gz QTCDPDQYCHITMO-UHFFFAOYSA-N 1 1 322.365 1.226 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264731179 204112285 /nfs/dbraw/zinc/11/22/85/204112285.db2.gz IYRXYMWVFITABX-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264731179 204112291 /nfs/dbraw/zinc/11/22/91/204112291.db2.gz IYRXYMWVFITABX-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264731179 204112295 /nfs/dbraw/zinc/11/22/95/204112295.db2.gz IYRXYMWVFITABX-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO COc1ccc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000264977015 204319425 /nfs/dbraw/zinc/31/94/25/204319425.db2.gz ORKVNPWSOUHIMV-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266105824 205101876 /nfs/dbraw/zinc/10/18/76/205101876.db2.gz GQLVYCFXFFJJFY-CYBMUJFWSA-N 1 1 323.397 1.514 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338795228 284525945 /nfs/dbraw/zinc/52/59/45/284525945.db2.gz OMAQOXAJINQAAC-GHMZBOCLSA-N 1 1 322.365 1.614 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270848150 248693631 /nfs/dbraw/zinc/69/36/31/248693631.db2.gz GGODDCBHAVZKGY-JMSVASOKSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270848150 248693636 /nfs/dbraw/zinc/69/36/36/248693636.db2.gz GGODDCBHAVZKGY-JMSVASOKSA-N 1 1 321.377 1.933 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c[nH+]ccc1-n1cccn1 ZINC000337633329 249599845 /nfs/dbraw/zinc/59/98/45/249599845.db2.gz OKBXIVPKZSNNJB-UHFFFAOYSA-N 1 1 313.277 1.011 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCC1 ZINC000104927948 194053556 /nfs/dbraw/zinc/05/35/56/194053556.db2.gz HQYIZPWOUBOBJG-UHFFFAOYSA-N 1 1 308.338 1.300 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000338564707 250032753 /nfs/dbraw/zinc/03/27/53/250032753.db2.gz JMYVMABBGFMYJF-NSHDSACASA-N 1 1 305.334 1.834 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000338564707 250032755 /nfs/dbraw/zinc/03/27/55/250032755.db2.gz JMYVMABBGFMYJF-NSHDSACASA-N 1 1 305.334 1.834 20 5 DDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284739774 218155474 /nfs/dbraw/zinc/15/54/74/218155474.db2.gz KUCWSWWEFRROMB-PRHODGIISA-N 1 1 308.294 1.117 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338675399 250085965 /nfs/dbraw/zinc/08/59/65/250085965.db2.gz DKCBUDMNOYBBCC-UHFFFAOYSA-N 1 1 311.386 1.373 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000284864694 218212703 /nfs/dbraw/zinc/21/27/03/218212703.db2.gz SHEDHWYPUGOGLT-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285007078 218253602 /nfs/dbraw/zinc/25/36/02/218253602.db2.gz CUQFTWPTKMWMAR-SNVBAGLBSA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285242592 218348301 /nfs/dbraw/zinc/34/83/01/218348301.db2.gz YTCZNHNAMAGKDY-OUAUKWLOSA-N 1 1 309.370 1.414 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000285348371 218391060 /nfs/dbraw/zinc/39/10/60/218391060.db2.gz LBKNYCZJUHOOAB-KLPPZKSPSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000285348371 218391063 /nfs/dbraw/zinc/39/10/63/218391063.db2.gz LBKNYCZJUHOOAB-KLPPZKSPSA-N 1 1 323.349 1.651 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000109429002 194262854 /nfs/dbraw/zinc/26/28/54/194262854.db2.gz LIKPIUCJYGJAEN-JTQLQIEISA-N 1 1 321.381 1.485 20 5 DDBDMO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000120008796 195079551 /nfs/dbraw/zinc/07/95/51/195079551.db2.gz XQMIFWATMIDKPB-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000120008796 195079553 /nfs/dbraw/zinc/07/95/53/195079553.db2.gz XQMIFWATMIDKPB-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000273000415 210380032 /nfs/dbraw/zinc/38/00/32/210380032.db2.gz REUVRNAYUIJANC-LBPRGKRZSA-N 1 1 303.362 1.904 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272994084 210373811 /nfs/dbraw/zinc/37/38/11/210373811.db2.gz QJPWEGMZMBLCHK-JTQLQIEISA-N 1 1 321.381 1.651 20 5 DDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286510309 219028177 /nfs/dbraw/zinc/02/81/77/219028177.db2.gz MUPSXNNOVVJIHE-CFAIKTRFSA-N 1 1 318.373 1.983 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000413484308 533100673 /nfs/dbraw/zinc/10/06/73/533100673.db2.gz ZMFGYOSPRIMQBY-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000352802447 285311195 /nfs/dbraw/zinc/31/11/95/285311195.db2.gz DVDCZMFZFCWYNN-NHYWBVRUSA-N 1 1 321.352 1.829 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000289883279 221290090 /nfs/dbraw/zinc/29/00/90/221290090.db2.gz WWLUOOFPPSIGFJ-NSHDSACASA-N 1 1 311.386 1.336 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H](C)O)C(C)C ZINC000107043110 407368298 /nfs/dbraw/zinc/36/82/98/407368298.db2.gz RWWHFUCXUNISPY-LBPRGKRZSA-N 1 1 309.366 1.933 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000112926043 407448237 /nfs/dbraw/zinc/44/82/37/407448237.db2.gz DFCRFQKHCCEZLN-UHFFFAOYSA-N 1 1 310.310 1.493 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000114139110 407545077 /nfs/dbraw/zinc/54/50/77/407545077.db2.gz GLSYVHXNUDCYSB-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000186841414 407782542 /nfs/dbraw/zinc/78/25/42/407782542.db2.gz DYUJJIFQGZJDCS-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000267248821 407806797 /nfs/dbraw/zinc/80/67/97/407806797.db2.gz GFBSVEKXBJOHPB-NEPJUHHUSA-N 1 1 304.350 1.534 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)F ZINC000153588715 407857751 /nfs/dbraw/zinc/85/77/51/407857751.db2.gz ICTNTRPPDPOREL-LLVKDONJSA-N 1 1 317.340 1.453 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1CC(F)F ZINC000153588715 407857755 /nfs/dbraw/zinc/85/77/55/407857755.db2.gz ICTNTRPPDPOREL-LLVKDONJSA-N 1 1 317.340 1.453 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000174534931 407960165 /nfs/dbraw/zinc/96/01/65/407960165.db2.gz IEHDCIOWMCGJID-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272520983 407962196 /nfs/dbraw/zinc/96/21/96/407962196.db2.gz PWWGFRJQIGPQFO-CJNGLKHVSA-N 1 1 317.389 1.998 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272534060 407968248 /nfs/dbraw/zinc/96/82/48/407968248.db2.gz ISKRCRQNZQATHP-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272534060 407968256 /nfs/dbraw/zinc/96/82/56/407968256.db2.gz ISKRCRQNZQATHP-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174672430 407975165 /nfs/dbraw/zinc/97/51/65/407975165.db2.gz NWMDFRFEOYCTFL-NEPJUHHUSA-N 1 1 304.350 1.607 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153906060 407928598 /nfs/dbraw/zinc/92/85/98/407928598.db2.gz ODUWTTADMDCGNE-HNNXBMFYSA-N 1 1 314.345 1.989 20 5 DDBDMO C[C@@H](CO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272476164 407942168 /nfs/dbraw/zinc/94/21/68/407942168.db2.gz BJBUIBIZNLUJJS-BXUZGUMPSA-N 1 1 304.350 1.636 20 5 DDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181357471 407985084 /nfs/dbraw/zinc/98/50/84/407985084.db2.gz QZFHTEZWKOPOEZ-CQSZACIVSA-N 1 1 315.333 1.115 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175267671 408091455 /nfs/dbraw/zinc/09/14/55/408091455.db2.gz GKAKQQJNMYBILV-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136253829 408093317 /nfs/dbraw/zinc/09/33/17/408093317.db2.gz NLYGOXXKLVNOLB-ZFWWWQNUSA-N 1 1 324.377 1.570 20 5 DDBDMO CO[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246039189 408125940 /nfs/dbraw/zinc/12/59/40/408125940.db2.gz QTDCVUWOSYGQTH-GJZGRUSLSA-N 1 1 319.361 1.811 20 5 DDBDMO CO[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246039189 408125944 /nfs/dbraw/zinc/12/59/44/408125944.db2.gz QTDCVUWOSYGQTH-GJZGRUSLSA-N 1 1 319.361 1.811 20 5 DDBDMO CCC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182266324 408111133 /nfs/dbraw/zinc/11/11/33/408111133.db2.gz QFWBTHHABKBDED-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182266324 408111138 /nfs/dbraw/zinc/11/11/38/408111138.db2.gz QFWBTHHABKBDED-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000182679398 306706296 /nfs/dbraw/zinc/70/62/96/306706296.db2.gz OCJYPVFKBDGIFW-SNVBAGLBSA-N 1 1 301.310 1.185 20 5 DDBDMO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000151105476 408257142 /nfs/dbraw/zinc/25/71/42/408257142.db2.gz AKIAJQADTDQWAD-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+](C)C1 ZINC000151105476 408257152 /nfs/dbraw/zinc/25/71/52/408257152.db2.gz AKIAJQADTDQWAD-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246311437 408215894 /nfs/dbraw/zinc/21/58/94/408215894.db2.gz GPYKWJJWLXWZFD-BJJXKVORSA-N 1 1 324.377 1.570 20 5 DDBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](c2ccccc2)C1 ZINC000263934021 408319030 /nfs/dbraw/zinc/31/90/30/408319030.db2.gz BIXTXNHPBQSVDV-CYBMUJFWSA-N 1 1 314.349 1.460 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](c2ccccc2)C1 ZINC000263934021 408319036 /nfs/dbraw/zinc/31/90/36/408319036.db2.gz BIXTXNHPBQSVDV-CYBMUJFWSA-N 1 1 314.349 1.460 20 5 DDBDMO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000273644836 408275628 /nfs/dbraw/zinc/27/56/28/408275628.db2.gz SVKXTEZOMOQCCI-CQSZACIVSA-N 1 1 323.397 1.934 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134893601 162089800 /nfs/dbraw/zinc/08/98/00/162089800.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000134893601 162089813 /nfs/dbraw/zinc/08/98/13/162089813.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000134893601 162089817 /nfs/dbraw/zinc/08/98/17/162089817.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 1 1 319.409 1.740 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202377 408352850 /nfs/dbraw/zinc/35/28/50/408352850.db2.gz UVHSEDUHHAFEIX-MNOVXSKESA-N 1 1 308.334 1.664 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@H](C)O ZINC000246824872 408346649 /nfs/dbraw/zinc/34/66/49/408346649.db2.gz LNEYDDZGKZERDH-GXTWGEPZSA-N 1 1 321.377 1.512 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246907625 408364261 /nfs/dbraw/zinc/36/42/61/408364261.db2.gz ROTUHNCMSRZPLI-SWLSCSKDSA-N 1 1 321.377 1.650 20 5 DDBDMO Nc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000191421968 408421404 /nfs/dbraw/zinc/42/14/04/408421404.db2.gz IIWNDNLWXVIBRB-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO C[N@@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000264823087 408547510 /nfs/dbraw/zinc/54/75/10/408547510.db2.gz HRKHUMNYGPVTJM-UHFFFAOYSA-N 1 1 306.366 1.531 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177198746 408549056 /nfs/dbraw/zinc/54/90/56/408549056.db2.gz SKEKEJPYNHMTPE-NWDGAFQWSA-N 1 1 319.361 1.715 20 5 DDBDMO CCOCC[N@@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264579254 408539808 /nfs/dbraw/zinc/53/98/08/408539808.db2.gz JFEHPWVBFJPQJM-CQSZACIVSA-N 1 1 312.366 1.693 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)n1 ZINC000161501042 408610039 /nfs/dbraw/zinc/61/00/39/408610039.db2.gz JNAMRLORYDKJSZ-LLVKDONJSA-N 1 1 322.287 1.427 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248662445 408611291 /nfs/dbraw/zinc/61/12/91/408611291.db2.gz GWUPJDYTQFRAKD-QWRGUYRKSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248662445 408611297 /nfs/dbraw/zinc/61/12/97/408611297.db2.gz GWUPJDYTQFRAKD-QWRGUYRKSA-N 1 1 311.386 1.011 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000248919311 408661040 /nfs/dbraw/zinc/66/10/40/408661040.db2.gz KMNGYYFUMPTGDA-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270913439 408739576 /nfs/dbraw/zinc/73/95/76/408739576.db2.gz HRZFPSPFSRRXKL-LBPRGKRZSA-N 1 1 319.361 1.452 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)C3CCC3)o2)cc1 ZINC000275788917 408677851 /nfs/dbraw/zinc/67/78/51/408677851.db2.gz DLCPCVQPFXPHRO-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)C3CCC3)o2)cc1 ZINC000275788917 408677856 /nfs/dbraw/zinc/67/78/56/408677856.db2.gz DLCPCVQPFXPHRO-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=C(C[N@@H+](CCO)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000275834519 408692119 /nfs/dbraw/zinc/69/21/19/408692119.db2.gz MPWLDHGQQAWKTA-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@H+](CCO)C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000275834519 408692122 /nfs/dbraw/zinc/69/21/22/408692122.db2.gz MPWLDHGQQAWKTA-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000276337650 408838107 /nfs/dbraw/zinc/83/81/07/408838107.db2.gz HOPWYXVSVWSKNP-HZMBPMFUSA-N 1 1 304.350 1.343 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](C)OC ZINC000291361921 408864814 /nfs/dbraw/zinc/86/48/14/408864814.db2.gz YXONXBDZDRNTPH-GFCCVEGCSA-N 1 1 321.377 1.841 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](C)OC ZINC000291361921 408864817 /nfs/dbraw/zinc/86/48/17/408864817.db2.gz YXONXBDZDRNTPH-GFCCVEGCSA-N 1 1 321.377 1.841 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286012231 408906953 /nfs/dbraw/zinc/90/69/53/408906953.db2.gz QLWVXVHIEUYGGF-HONMWMINSA-N 1 1 304.350 1.754 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286012231 408906956 /nfs/dbraw/zinc/90/69/56/408906956.db2.gz QLWVXVHIEUYGGF-HONMWMINSA-N 1 1 304.350 1.754 20 5 DDBDMO C[C@@H]1C[N@@H+](C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CCO1 ZINC000190319531 163135766 /nfs/dbraw/zinc/13/57/66/163135766.db2.gz KEWPAASJZNEZGU-SNVBAGLBSA-N 1 1 312.395 1.741 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])s3)CC2)CCO1 ZINC000190319531 163135768 /nfs/dbraw/zinc/13/57/68/163135768.db2.gz KEWPAASJZNEZGU-SNVBAGLBSA-N 1 1 312.395 1.741 20 5 DDBDMO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281872231 408944917 /nfs/dbraw/zinc/94/49/17/408944917.db2.gz WJOGMIQPKBERTI-UHFFFAOYSA-N 1 1 320.393 1.351 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c([N+](=O)[O-])ncn1C ZINC000286256912 408950915 /nfs/dbraw/zinc/95/09/15/408950915.db2.gz DVHSDNKEQLQEGB-UHFFFAOYSA-N 1 1 307.354 1.880 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000292005910 408962137 /nfs/dbraw/zinc/96/21/37/408962137.db2.gz RSKOLPSAYMEGEH-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293288059 409083298 /nfs/dbraw/zinc/08/32/98/409083298.db2.gz VURYUIXGWSLYMN-UONOGXRCSA-N 1 1 310.350 1.181 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084310 409084499 /nfs/dbraw/zinc/08/44/99/409084499.db2.gz KXSMVAUZRHYZNT-LBPRGKRZSA-N 1 1 307.325 1.931 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084310 409084502 /nfs/dbraw/zinc/08/45/02/409084502.db2.gz KXSMVAUZRHYZNT-LBPRGKRZSA-N 1 1 307.325 1.931 20 5 DDBDMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106478 409323293 /nfs/dbraw/zinc/32/32/93/409323293.db2.gz VODZDWMWYRMMNU-YGRLFVJLSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106478 409323298 /nfs/dbraw/zinc/32/32/98/409323298.db2.gz VODZDWMWYRMMNU-YGRLFVJLSA-N 1 1 308.334 1.807 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000280591115 409370993 /nfs/dbraw/zinc/37/09/93/409370993.db2.gz QHRRNKKZGRQPCR-UHFFFAOYSA-N 1 1 319.361 1.589 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000295216440 409381028 /nfs/dbraw/zinc/38/10/28/409381028.db2.gz MEGOFCDELPGWQX-OAHLLOKOSA-N 1 1 309.341 1.687 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285380475 409421671 /nfs/dbraw/zinc/42/16/71/409421671.db2.gz WLXVHSFMWGBZFQ-UONOGXRCSA-N 1 1 305.334 1.140 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCO)CC1 ZINC000317680376 164029054 /nfs/dbraw/zinc/02/90/54/164029054.db2.gz HKFYDOOEERMTQD-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285592920 409502937 /nfs/dbraw/zinc/50/29/37/409502937.db2.gz CALDFNMWFSPXNF-GHMZBOCLSA-N 1 1 311.363 1.201 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000354008303 409596198 /nfs/dbraw/zinc/59/61/98/409596198.db2.gz SCCRHAYUKZANOH-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345167195 409652263 /nfs/dbraw/zinc/65/22/63/409652263.db2.gz XVMKPUBDQJDZCV-NWDGAFQWSA-N 1 1 320.393 1.873 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354117691 409671896 /nfs/dbraw/zinc/67/18/96/409671896.db2.gz HJPSVXRXXCGWQL-LLVKDONJSA-N 1 1 320.349 1.263 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354117691 409671907 /nfs/dbraw/zinc/67/19/07/409671907.db2.gz HJPSVXRXXCGWQL-LLVKDONJSA-N 1 1 320.349 1.263 20 5 DDBDMO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000297142115 409822737 /nfs/dbraw/zinc/82/27/37/409822737.db2.gz UVRSKHGFGXEAPP-YHWZYXNKSA-N 1 1 319.361 1.958 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354441787 409860366 /nfs/dbraw/zinc/86/03/66/409860366.db2.gz WXDPGXVXYTWESE-NEPJUHHUSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229196 409871233 /nfs/dbraw/zinc/87/12/33/409871233.db2.gz ROXQSCVDGWXFEA-TUAOUCFPSA-N 1 1 307.350 1.990 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1(C)C ZINC000319041393 409885235 /nfs/dbraw/zinc/88/52/35/409885235.db2.gz IBXNNQPLFFYWAN-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1(C)C ZINC000319041393 409885240 /nfs/dbraw/zinc/88/52/40/409885240.db2.gz IBXNNQPLFFYWAN-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346490416 409988861 /nfs/dbraw/zinc/98/88/61/409988861.db2.gz PKAULCXZMRVPSE-CYBMUJFWSA-N 1 1 305.334 1.280 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346490416 409988866 /nfs/dbraw/zinc/98/88/66/409988866.db2.gz PKAULCXZMRVPSE-CYBMUJFWSA-N 1 1 305.334 1.280 20 5 DDBDMO C[C@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000354548072 409929925 /nfs/dbraw/zinc/92/99/25/409929925.db2.gz RRUWPZCROHOOCK-GXFFZTMASA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000354548072 409929931 /nfs/dbraw/zinc/92/99/31/409929931.db2.gz RRUWPZCROHOOCK-GXFFZTMASA-N 1 1 313.379 1.356 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298038396 410087825 /nfs/dbraw/zinc/08/78/25/410087825.db2.gz GMIGIUUWSBORGX-UHFFFAOYSA-N 1 1 322.365 1.218 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332355524 410087876 /nfs/dbraw/zinc/08/78/76/410087876.db2.gz PVAOXFIMSDRNFB-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332355524 410087881 /nfs/dbraw/zinc/08/78/81/410087881.db2.gz PVAOXFIMSDRNFB-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO COc1cc(C[N@@H+](C)C2(CCO)CCOCC2)ccc1[N+](=O)[O-] ZINC000355012546 410239049 /nfs/dbraw/zinc/23/90/49/410239049.db2.gz MVKQWOIJJVVIQE-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351776428 410225944 /nfs/dbraw/zinc/22/59/44/410225944.db2.gz BAXXJDIMACJHPG-MFKMUULPSA-N 1 1 323.349 1.245 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346999103 410298633 /nfs/dbraw/zinc/29/86/33/410298633.db2.gz PCXYUSDBCOKDFI-HUUCEWRRSA-N 1 1 317.349 1.384 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343437272 410452349 /nfs/dbraw/zinc/45/23/49/410452349.db2.gz KYKOCKJMZVDLRB-HZMBPMFUSA-N 1 1 309.341 1.875 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298882099 410436047 /nfs/dbraw/zinc/43/60/47/410436047.db2.gz QEPKVCXGBSXHEK-UHFFFAOYSA-N 1 1 314.345 1.711 20 5 DDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298882099 410436053 /nfs/dbraw/zinc/43/60/53/410436053.db2.gz QEPKVCXGBSXHEK-UHFFFAOYSA-N 1 1 314.345 1.711 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)CCC(F)(F)F ZINC000355322049 410442073 /nfs/dbraw/zinc/44/20/73/410442073.db2.gz UYFLUGDQRHWEAL-UHFFFAOYSA-N 1 1 323.275 1.322 20 5 DDBDMO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000355415454 410501745 /nfs/dbraw/zinc/50/17/45/410501745.db2.gz PWWOUTCBHNDGML-UHFFFAOYSA-N 1 1 316.354 1.791 20 5 DDBDMO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn2cc[nH+]c12 ZINC000355422538 410505797 /nfs/dbraw/zinc/50/57/97/410505797.db2.gz AQNBGFFXAKKMKT-UHFFFAOYSA-N 1 1 300.278 1.386 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000355547726 410573337 /nfs/dbraw/zinc/57/33/37/410573337.db2.gz QCGANYGEESEOIU-UHFFFAOYSA-N 1 1 304.350 1.559 20 5 DDBDMO O=C(CC[N@@H+]1CCn2ncnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352272423 410591210 /nfs/dbraw/zinc/59/12/10/410591210.db2.gz DSSOISYBRDONGR-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(CC[N@H+]1CCn2ncnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352272423 410591213 /nfs/dbraw/zinc/59/12/13/410591213.db2.gz DSSOISYBRDONGR-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000355595389 410598872 /nfs/dbraw/zinc/59/88/72/410598872.db2.gz HAKOXHIFFBCXNF-GFCCVEGCSA-N 1 1 324.333 1.103 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000352224155 410562799 /nfs/dbraw/zinc/56/27/99/410562799.db2.gz ZGONITMWYMWADH-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO O=C(CC[N@@H+]1CCn2ncnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337303231 410701252 /nfs/dbraw/zinc/70/12/52/410701252.db2.gz QIXXKAVKQFSVAK-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(CC[N@H+]1CCn2ncnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337303231 410701258 /nfs/dbraw/zinc/70/12/58/410701258.db2.gz QIXXKAVKQFSVAK-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000330560763 410777605 /nfs/dbraw/zinc/77/76/05/410777605.db2.gz HVPLTSJTTGJUNV-WDEREUQCSA-N 1 1 309.370 1.179 20 5 DDBDMO Cc1c(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330581324 410796620 /nfs/dbraw/zinc/79/66/20/410796620.db2.gz JBGSCRZQYMPNPB-VXGBXAGGSA-N 1 1 305.378 1.997 20 5 DDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000353143352 410807064 /nfs/dbraw/zinc/80/70/64/410807064.db2.gz HMSQHUJWRHOGJJ-UHFFFAOYSA-N 1 1 321.333 1.350 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330612441 410825987 /nfs/dbraw/zinc/82/59/87/410825987.db2.gz QVYINUJPTYCPJK-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000330647655 410847155 /nfs/dbraw/zinc/84/71/55/410847155.db2.gz ZRWQHQLOOIBENL-NEPJUHHUSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330659110 410857069 /nfs/dbraw/zinc/85/70/69/410857069.db2.gz AEWXKEWCSPLNEZ-LLVKDONJSA-N 1 1 309.391 1.849 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000330659110 410857077 /nfs/dbraw/zinc/85/70/77/410857077.db2.gz AEWXKEWCSPLNEZ-LLVKDONJSA-N 1 1 309.391 1.849 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1CCOC ZINC000330851341 410900598 /nfs/dbraw/zinc/90/05/98/410900598.db2.gz QCILZEPHOVAINV-LLVKDONJSA-N 1 1 310.354 1.106 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1CCOC ZINC000330851341 410900603 /nfs/dbraw/zinc/90/06/03/410900603.db2.gz QCILZEPHOVAINV-LLVKDONJSA-N 1 1 310.354 1.106 20 5 DDBDMO C[C@@H]1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000353580633 411073037 /nfs/dbraw/zinc/07/30/37/411073037.db2.gz IQFZFLPGDNRFQS-CHWSQXEVSA-N 1 1 320.393 1.853 20 5 DDBDMO NC(=O)[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000341416832 411042317 /nfs/dbraw/zinc/04/23/17/411042317.db2.gz IZFBNNMUIDIYRB-MRVPVSSYSA-N 1 1 319.148 1.165 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356654411 411117628 /nfs/dbraw/zinc/11/76/28/411117628.db2.gz LNOGJJCWYFLLEN-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356654411 411117630 /nfs/dbraw/zinc/11/76/30/411117630.db2.gz LNOGJJCWYFLLEN-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cnn1C ZINC000353727400 411118558 /nfs/dbraw/zinc/11/85/58/411118558.db2.gz ZNSGQIXYOJSAFM-ZDUSSCGKSA-N 1 1 316.365 1.718 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000516314132 416721685 /nfs/dbraw/zinc/72/16/85/416721685.db2.gz XHVVEDRPFPUWRR-ZJUUUORDSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000516314132 416721689 /nfs/dbraw/zinc/72/16/89/416721689.db2.gz XHVVEDRPFPUWRR-ZJUUUORDSA-N 1 1 307.354 1.196 20 5 DDBDMO CCc1nn(C)c(N2CC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000360808681 418523540 /nfs/dbraw/zinc/52/35/40/418523540.db2.gz AZAQPKCYALBNGW-SNVBAGLBSA-N 1 1 304.354 1.618 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000361006285 418563861 /nfs/dbraw/zinc/56/38/61/418563861.db2.gz CHBKAXGVKDLERS-MNOVXSKESA-N 1 1 311.386 1.011 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000368224470 418706489 /nfs/dbraw/zinc/70/64/89/418706489.db2.gz UHJFAIAKTIKXIE-OAHLLOKOSA-N 1 1 302.334 1.731 20 5 DDBDMO Cc1ccc2c(c1)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361848651 418718431 /nfs/dbraw/zinc/71/84/31/418718431.db2.gz AZLXRUAORUQNAY-MRXNPFEDSA-N 1 1 316.361 1.519 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1CO ZINC000362067898 418747505 /nfs/dbraw/zinc/74/75/05/418747505.db2.gz RHVBBMQRZZTPEB-ZYHUDNBSSA-N 1 1 318.333 1.705 20 5 DDBDMO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000364934836 418825120 /nfs/dbraw/zinc/82/51/20/418825120.db2.gz OTILEFRGRGKQOD-JTQLQIEISA-N 1 1 313.379 1.185 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000364934836 418825121 /nfs/dbraw/zinc/82/51/21/418825121.db2.gz OTILEFRGRGKQOD-JTQLQIEISA-N 1 1 313.379 1.185 20 5 DDBDMO CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564746 418876608 /nfs/dbraw/zinc/87/66/08/418876608.db2.gz NQUKJWWCAIJFKQ-KGLIPLIRSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000365833394 418914392 /nfs/dbraw/zinc/91/43/92/418914392.db2.gz FSSZVOCZGFZNQM-CYBMUJFWSA-N 1 1 321.381 1.268 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426996320 419577718 /nfs/dbraw/zinc/57/77/18/419577718.db2.gz ZHQCRMQLSDOWCQ-OAHLLOKOSA-N 1 1 303.362 1.880 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)n1 ZINC000427844432 419751565 /nfs/dbraw/zinc/75/15/65/419751565.db2.gz CUKBEFAKMNOQFE-NWDGAFQWSA-N 1 1 323.397 1.756 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027299 419963012 /nfs/dbraw/zinc/96/30/12/419963012.db2.gz DRMGBCUDPQHEQX-MGPQQGTHSA-N 1 1 307.398 1.453 20 5 DDBDMO COCC[N@@H+](C)CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420588026 420324486 /nfs/dbraw/zinc/32/44/86/420324486.db2.gz QSOFGUKUWKYUSG-UHFFFAOYSA-N 1 1 310.354 1.074 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000450619110 420499619 /nfs/dbraw/zinc/49/96/19/420499619.db2.gz UJAOLWPIBIHIGE-LBPRGKRZSA-N 1 1 311.386 1.378 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000457052135 420596966 /nfs/dbraw/zinc/59/69/66/420596966.db2.gz ILXRGGVRTLOKSZ-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000457054865 420597799 /nfs/dbraw/zinc/59/77/99/420597799.db2.gz MBWJLSCROORSOK-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC[NH3+])C1 ZINC000443078019 420743410 /nfs/dbraw/zinc/74/34/10/420743410.db2.gz VVVDAVACYRRMRL-CHWSQXEVSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493153806 420772108 /nfs/dbraw/zinc/77/21/08/420772108.db2.gz LMGYJRCGKBGZQI-XHPSBEMXSA-N 1 1 307.325 1.768 20 5 DDBDMO COc1ccc(OCCN2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442762641 420710092 /nfs/dbraw/zinc/71/00/92/420710092.db2.gz CHMFMQNCAHBPMN-VXGBXAGGSA-N 1 1 309.366 1.651 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000493514359 420869726 /nfs/dbraw/zinc/86/97/26/420869726.db2.gz HIUKNSOIEMBULV-YOQOKRQFSA-N 1 1 301.346 1.628 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000449095512 420947955 /nfs/dbraw/zinc/94/79/55/420947955.db2.gz ZBGKHKQLOLBYHY-GOEBONIOSA-N 1 1 321.421 1.962 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000456342928 421145656 /nfs/dbraw/zinc/14/56/56/421145656.db2.gz GFBRLGPRYXDJKX-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000496973502 421345098 /nfs/dbraw/zinc/34/50/98/421345098.db2.gz JQVMYKXLTXAPDV-GFCCVEGCSA-N 1 1 323.349 1.876 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000496973502 421345102 /nfs/dbraw/zinc/34/51/02/421345102.db2.gz JQVMYKXLTXAPDV-GFCCVEGCSA-N 1 1 323.349 1.876 20 5 DDBDMO COc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000527245581 421369480 /nfs/dbraw/zinc/36/94/80/421369480.db2.gz VHMZTUXBQIELQR-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CCC(=O)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000515745923 421515520 /nfs/dbraw/zinc/51/55/20/421515520.db2.gz YLKSKCWIQZMVNO-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000515745923 421515521 /nfs/dbraw/zinc/51/55/21/421515521.db2.gz YLKSKCWIQZMVNO-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO CNc1nccc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566923425 421610087 /nfs/dbraw/zinc/61/00/87/421610087.db2.gz IAPSDPPAUXJFHE-NSHDSACASA-N 1 1 321.381 1.634 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000519041593 421677129 /nfs/dbraw/zinc/67/71/29/421677129.db2.gz ZSDIMKXQFQKWIE-LBPRGKRZSA-N 1 1 323.393 1.991 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000519068934 421678338 /nfs/dbraw/zinc/67/83/38/421678338.db2.gz HXLZIOWEANQNOY-UHFFFAOYSA-N 1 1 308.382 1.928 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000557526597 421774401 /nfs/dbraw/zinc/77/44/01/421774401.db2.gz DQISNBKQKLVHFG-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000557526597 421774405 /nfs/dbraw/zinc/77/44/05/421774405.db2.gz DQISNBKQKLVHFG-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000583908102 422214810 /nfs/dbraw/zinc/21/48/10/422214810.db2.gz PQPNPDDMFYFZAG-SNVBAGLBSA-N 1 1 323.349 1.782 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126668 /nfs/dbraw/zinc/12/66/68/271126668.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 1 1 322.409 1.561 20 5 DDBDMO CC(=O)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000342283348 271366175 /nfs/dbraw/zinc/36/61/75/271366175.db2.gz QVXIHJKLOCDFST-BZNIZROVSA-N 1 1 321.377 1.975 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345308426 272215878 /nfs/dbraw/zinc/21/58/78/272215878.db2.gz WZBOILMMRLHXGD-ZJUUUORDSA-N 1 1 309.370 1.654 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000346053867 272399953 /nfs/dbraw/zinc/39/99/53/272399953.db2.gz UJAWROYQPHOHLL-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420645861 277072529 /nfs/dbraw/zinc/07/25/29/277072529.db2.gz ZMHJPEYGBHLERZ-MRXNPFEDSA-N 1 1 318.377 1.616 20 5 DDBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054371058 279908478 /nfs/dbraw/zinc/90/84/78/279908478.db2.gz BWBFMPPQXFCXJI-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3(O)CCOCC3)C2)nc1 ZINC000122284013 281153795 /nfs/dbraw/zinc/15/37/95/281153795.db2.gz KDAXKWINGSMUPZ-GFCCVEGCSA-N 1 1 322.365 1.018 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246745549 282011947 /nfs/dbraw/zinc/01/19/47/282011947.db2.gz PTXFMOQIANTXKX-KCQAQPDRSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362096547 300004181 /nfs/dbraw/zinc/00/41/81/300004181.db2.gz MWQTVAKGOCOSDS-IJLUTSLNSA-N 1 1 307.350 1.482 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362290459 300045100 /nfs/dbraw/zinc/04/51/00/300045100.db2.gz RVCCBSIBDURWLK-MFKMUULPSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444039 300064619 /nfs/dbraw/zinc/06/46/19/300064619.db2.gz BRXQEAZRXZLQIJ-FZMZJTMJSA-N 1 1 306.366 1.321 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000363616938 300288095 /nfs/dbraw/zinc/28/80/95/300288095.db2.gz YRKJPJBDRCESJV-CABCVRRESA-N 1 1 321.352 1.572 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363874436 300319712 /nfs/dbraw/zinc/31/97/12/300319712.db2.gz JESNGQPTZPVPSG-LLVKDONJSA-N 1 1 304.350 1.737 20 5 DDBDMO O=C(CC[NH+]1CC(O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000365711913 300565804 /nfs/dbraw/zinc/56/58/04/300565804.db2.gz LYVHOUYFFQZGAI-UHFFFAOYSA-N 1 1 323.324 1.519 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368579787 301056467 /nfs/dbraw/zinc/05/64/67/301056467.db2.gz UIIKPGDLXUFWMH-MNOVXSKESA-N 1 1 320.349 1.119 20 5 DDBDMO COc1ccc(CN2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000368953016 301109342 /nfs/dbraw/zinc/10/93/42/301109342.db2.gz ZGYQZQFTUINXQY-ZDUSSCGKSA-N 1 1 323.393 1.492 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957645 301109981 /nfs/dbraw/zinc/10/99/81/301109981.db2.gz FAFWREAWUAHILJ-DFBGVHRSSA-N 1 1 319.361 1.559 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000369473837 301189529 /nfs/dbraw/zinc/18/95/29/301189529.db2.gz UFPJXCZFQYOQHD-DZGCQCFKSA-N 1 1 319.361 1.837 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000408025349 301204831 /nfs/dbraw/zinc/20/48/31/301204831.db2.gz BCEFJGYNIBODNU-OLZOCXBDSA-N 1 1 306.366 1.516 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])CC2 ZINC000376829089 302109665 /nfs/dbraw/zinc/10/96/65/302109665.db2.gz RPKPEZVSFQFNRQ-UHFFFAOYSA-N 1 1 318.377 1.877 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377362857 302172744 /nfs/dbraw/zinc/17/27/44/302172744.db2.gz QSSHTEFZDMSRPO-NXEZZACHSA-N 1 1 305.338 1.127 20 5 DDBDMO Cc1cnc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000266213274 302363537 /nfs/dbraw/zinc/36/35/37/302363537.db2.gz NOYSATCSJBRHAJ-HNNXBMFYSA-N 1 1 321.425 1.982 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367785151 307104232 /nfs/dbraw/zinc/10/42/32/307104232.db2.gz WGLWHWVAZDVHBT-OLRMPSLUSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367785151 307104233 /nfs/dbraw/zinc/10/42/33/307104233.db2.gz WGLWHWVAZDVHBT-OLRMPSLUSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440808 307149769 /nfs/dbraw/zinc/14/97/69/307149769.db2.gz UIFZCKVGGOWFDQ-GXTWGEPZSA-N 1 1 308.382 1.664 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000371659989 307155572 /nfs/dbraw/zinc/15/55/72/307155572.db2.gz KIQXWXCHRLSYGX-UNQGMJICSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371659989 307155573 /nfs/dbraw/zinc/15/55/73/307155573.db2.gz KIQXWXCHRLSYGX-UNQGMJICSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371659989 307155574 /nfs/dbraw/zinc/15/55/74/307155574.db2.gz KIQXWXCHRLSYGX-UNQGMJICSA-N 1 1 318.377 1.073 20 5 DDBDMO Cc1ccc(CNC(=O)C[NH+]2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC001120686451 782093578 /nfs/dbraw/zinc/09/35/78/782093578.db2.gz SPFUPLXLCJQMDK-UHFFFAOYSA-N 1 1 321.377 1.224 20 5 DDBDMO C[C@H]1COCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926358 534024654 /nfs/dbraw/zinc/02/46/54/534024654.db2.gz CUZOQUDSTBRKHI-TZMCWYRMSA-N 1 1 310.350 1.303 20 5 DDBDMO COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000159889925 522081803 /nfs/dbraw/zinc/08/18/03/522081803.db2.gz NIQNIKQPWRYGDI-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450475974 534792210 /nfs/dbraw/zinc/79/22/10/534792210.db2.gz LXGYBSGLTSBRSR-UHFFFAOYSA-N 1 1 302.338 1.804 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000459478307 527930447 /nfs/dbraw/zinc/93/04/47/527930447.db2.gz MZXGJZARRJVXGU-BETUJISGSA-N 1 1 308.382 1.171 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458182401 527999705 /nfs/dbraw/zinc/99/97/05/527999705.db2.gz DWBJNCARIAEUDQ-NSHDSACASA-N 1 1 323.397 1.903 20 5 DDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302555002 529129012 /nfs/dbraw/zinc/12/90/12/529129012.db2.gz ROFPMEMCQMOIBH-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302555002 529129015 /nfs/dbraw/zinc/12/90/15/529129015.db2.gz ROFPMEMCQMOIBH-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000121798539 696716053 /nfs/dbraw/zinc/71/60/53/696716053.db2.gz IAZKDCPELGKGNY-BETUJISGSA-N 1 1 321.377 1.776 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000121798539 696716055 /nfs/dbraw/zinc/71/60/55/696716055.db2.gz IAZKDCPELGKGNY-BETUJISGSA-N 1 1 321.377 1.776 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119720565 696684495 /nfs/dbraw/zinc/68/44/95/696684495.db2.gz PPRQOBCDFANQAY-VIFPVBQESA-N 1 1 321.424 1.665 20 5 DDBDMO CCC1(O)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749958635 700194840 /nfs/dbraw/zinc/19/48/40/700194840.db2.gz FHVDBXHSRMTMJM-UHFFFAOYSA-N 1 1 319.365 1.842 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590326 698123857 /nfs/dbraw/zinc/12/38/57/698123857.db2.gz ZNRKORDBTXXAMA-CZUORRHYSA-N 1 1 324.377 1.613 20 5 DDBDMO O=C1OCC[C@@H]1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246983624 698359005 /nfs/dbraw/zinc/35/90/05/698359005.db2.gz QAGWSUMBXJLCBW-RYUDHWBXSA-N 1 1 320.349 1.429 20 5 DDBDMO Cn1ccnc1[C@H](N[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764749 698558458 /nfs/dbraw/zinc/55/84/58/698558458.db2.gz PVXHBMAJFBIZAR-DZGCQCFKSA-N 1 1 315.377 1.711 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000705390351 699241046 /nfs/dbraw/zinc/24/10/46/699241046.db2.gz YGXTYNPPNQVBGE-QWRGUYRKSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000787886485 699251364 /nfs/dbraw/zinc/25/13/64/699251364.db2.gz NPPSVXIKBBKFRK-UHFFFAOYSA-N 1 1 318.293 1.553 20 5 DDBDMO COc1cc(C[NH2+]C[C@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000733330429 699588920 /nfs/dbraw/zinc/58/89/20/699588920.db2.gz ZDQDPNOOQRATDP-NSHDSACASA-N 1 1 324.255 1.976 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757643439 700667261 /nfs/dbraw/zinc/66/72/61/700667261.db2.gz RLQRXNODJSVCMK-OAHLLOKOSA-N 1 1 303.362 1.964 20 5 DDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000768810764 701205075 /nfs/dbraw/zinc/20/50/75/701205075.db2.gz MMGXRGIYPOKGPI-QMMMGPOBSA-N 1 1 317.392 1.171 20 5 DDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000768810764 701205079 /nfs/dbraw/zinc/20/50/79/701205079.db2.gz MMGXRGIYPOKGPI-QMMMGPOBSA-N 1 1 317.392 1.171 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000770474573 701279562 /nfs/dbraw/zinc/27/95/62/701279562.db2.gz BOTKENIWKLUAQB-GHMZBOCLSA-N 1 1 305.338 1.374 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000770474573 701279563 /nfs/dbraw/zinc/27/95/63/701279563.db2.gz BOTKENIWKLUAQB-GHMZBOCLSA-N 1 1 305.338 1.374 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)n1 ZINC000879244226 706627198 /nfs/dbraw/zinc/62/71/98/706627198.db2.gz PHSWNPLSDZTMLH-ZBFHGGJFSA-N 1 1 316.361 1.989 20 5 DDBDMO CC(C)(C[NH+]1CCOCC1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000840373794 702088450 /nfs/dbraw/zinc/08/84/50/702088450.db2.gz ZKLUFMARMNYIBF-UHFFFAOYSA-N 1 1 319.365 1.765 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000866213802 706650981 /nfs/dbraw/zinc/65/09/81/706650981.db2.gz YWBCMMZBURHZDI-UHFFFAOYSA-N 1 1 323.372 1.345 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000816953610 702237265 /nfs/dbraw/zinc/23/72/65/702237265.db2.gz KJWUOKUPMYUVMQ-GWCFXTLKSA-N 1 1 307.325 1.818 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000840993622 702305331 /nfs/dbraw/zinc/30/53/31/702305331.db2.gz GZDHDIFORNCUCZ-JTQLQIEISA-N 1 1 306.278 1.598 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879362916 706662005 /nfs/dbraw/zinc/66/20/05/706662005.db2.gz KALGZHZQYRFYTQ-IINYFYTJSA-N 1 1 314.769 1.813 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879362916 706662009 /nfs/dbraw/zinc/66/20/09/706662009.db2.gz KALGZHZQYRFYTQ-IINYFYTJSA-N 1 1 314.769 1.813 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N(CC)OC ZINC000842768073 702770339 /nfs/dbraw/zinc/77/03/39/702770339.db2.gz GQWPAIBRPVLLSS-UHFFFAOYSA-N 1 1 311.338 1.493 20 5 DDBDMO CC[NH2+]Cc1noc(-c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)n1 ZINC000843142518 702827615 /nfs/dbraw/zinc/82/76/15/702827615.db2.gz HDMDQBQHEVHRHM-UHFFFAOYSA-N 1 1 320.305 1.931 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000846190385 703248855 /nfs/dbraw/zinc/24/88/55/703248855.db2.gz XOJDAHSSVIYFIU-OLZOCXBDSA-N 1 1 321.352 1.687 20 5 DDBDMO COCC[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475249 703554572 /nfs/dbraw/zinc/55/45/72/703554572.db2.gz NSEBBBFSEUROCQ-CQSZACIVSA-N 1 1 307.350 1.446 20 5 DDBDMO COCC[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475249 703554574 /nfs/dbraw/zinc/55/45/74/703554574.db2.gz NSEBBBFSEUROCQ-CQSZACIVSA-N 1 1 307.350 1.446 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000852651393 704092412 /nfs/dbraw/zinc/09/24/12/704092412.db2.gz BDZORCBHIRHVRE-NILFDRSVSA-N 1 1 322.361 1.759 20 5 DDBDMO COC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000852771414 704120213 /nfs/dbraw/zinc/12/02/13/704120213.db2.gz OBSBMOKQGRBFMM-UHFFFAOYSA-N 1 1 323.349 1.924 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000870853592 704145440 /nfs/dbraw/zinc/14/54/40/704145440.db2.gz UMCKNHOBRUUSNY-RWSFTLGLSA-N 1 1 307.350 1.405 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000820264839 704248725 /nfs/dbraw/zinc/24/87/25/704248725.db2.gz SNGZPRRJUHAGET-IUODEOHRSA-N 1 1 321.352 1.829 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176333 705123520 /nfs/dbraw/zinc/12/35/20/705123520.db2.gz CWPPCGXTUCIRBD-CVEARBPZSA-N 1 1 321.377 1.619 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338953 705433173 /nfs/dbraw/zinc/43/31/73/705433173.db2.gz KMKMRHBCANVRCQ-ZFWWWQNUSA-N 1 1 308.334 1.861 20 5 DDBDMO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000876650408 705802199 /nfs/dbraw/zinc/80/21/99/705802199.db2.gz RKKJJYZREOBJRR-CQSZACIVSA-N 1 1 324.381 1.488 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278611 705967144 /nfs/dbraw/zinc/96/71/44/705967144.db2.gz XLANGEAKKQFEIA-DGCLKSJQSA-N 1 1 318.377 1.803 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328914 705976255 /nfs/dbraw/zinc/97/62/55/705976255.db2.gz FTMIGKANZPNMFK-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328914 705976258 /nfs/dbraw/zinc/97/62/58/705976258.db2.gz FTMIGKANZPNMFK-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328914 705976260 /nfs/dbraw/zinc/97/62/60/705976260.db2.gz FTMIGKANZPNMFK-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374767 705988872 /nfs/dbraw/zinc/98/88/72/705988872.db2.gz PUIPHAFKSICHDQ-OLZOCXBDSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828338624 706163116 /nfs/dbraw/zinc/16/31/16/706163116.db2.gz PQGFHSAWHXGOOQ-JTNHKYCSSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828338624 706163120 /nfs/dbraw/zinc/16/31/20/706163120.db2.gz PQGFHSAWHXGOOQ-JTNHKYCSSA-N 1 1 307.350 1.179 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865006259 706323848 /nfs/dbraw/zinc/32/38/48/706323848.db2.gz HGPWXLSHZCGZIP-LLVKDONJSA-N 1 1 307.325 1.629 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320732 706939810 /nfs/dbraw/zinc/93/98/10/706939810.db2.gz XKZZAWVFFHOCTR-LLVKDONJSA-N 1 1 320.374 1.703 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880442927 706978011 /nfs/dbraw/zinc/97/80/11/706978011.db2.gz YGCZCILROIFFOZ-BNOWGMLFSA-N 1 1 310.350 1.180 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835158558 707185354 /nfs/dbraw/zinc/18/53/54/707185354.db2.gz HXYIFZXVUJOUEI-ZDUSSCGKSA-N 1 1 316.398 1.722 20 5 DDBDMO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000882232816 707550967 /nfs/dbraw/zinc/55/09/67/707550967.db2.gz AVKLDDQLKJYEPD-SNVBAGLBSA-N 1 1 312.345 1.410 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000883598518 708034601 /nfs/dbraw/zinc/03/46/01/708034601.db2.gz JNDRGSAELUHLSG-CYBMUJFWSA-N 1 1 306.366 1.797 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC(C)(C)C2)n1 ZINC000897249654 708268508 /nfs/dbraw/zinc/26/85/08/708268508.db2.gz YNPKDLJBANSSHQ-UHFFFAOYSA-N 1 1 322.365 1.920 20 5 DDBDMO CC1([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)OCCO1 ZINC000886125270 708702200 /nfs/dbraw/zinc/70/22/00/708702200.db2.gz MUXMJKGTYSRWGA-ZDUSSCGKSA-N 1 1 307.350 1.965 20 5 DDBDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000886433799 708760413 /nfs/dbraw/zinc/76/04/13/708760413.db2.gz UXPBEQRZQBPZRZ-HNNXBMFYSA-N 1 1 304.350 1.765 20 5 DDBDMO Cc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000899911122 709235247 /nfs/dbraw/zinc/23/52/47/709235247.db2.gz OAXNEZWABKTOKH-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912876599 713112921 /nfs/dbraw/zinc/11/29/21/713112921.db2.gz KMBCLVYJIDRXPF-UHFFFAOYSA-N 1 1 305.334 1.611 20 5 DDBDMO CC(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)N1CC[NH+](C)CC1 ZINC000891681525 710265049 /nfs/dbraw/zinc/26/50/49/710265049.db2.gz VYXNXLMCRPVRRD-GFCCVEGCSA-N 1 1 310.402 1.012 20 5 DDBDMO Cn1c2ccccc2c(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000892319591 710416024 /nfs/dbraw/zinc/41/60/24/710416024.db2.gz MNCIJCGEFCJRDV-NSHDSACASA-N 1 1 316.361 1.810 20 5 DDBDMO COc1c(O)ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893668092 710770065 /nfs/dbraw/zinc/77/00/65/710770065.db2.gz CXBDJEYSERJQBN-MNOVXSKESA-N 1 1 309.366 1.833 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000928564231 713229208 /nfs/dbraw/zinc/22/92/08/713229208.db2.gz VOBQATULNRAPTI-ZDUSSCGKSA-N 1 1 302.334 1.370 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000912034025 711136485 /nfs/dbraw/zinc/13/64/85/711136485.db2.gz RAHVAADGSPBHHV-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000912034025 711136488 /nfs/dbraw/zinc/13/64/88/711136488.db2.gz RAHVAADGSPBHHV-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000913537963 713249315 /nfs/dbraw/zinc/24/93/15/713249315.db2.gz TWHQQTOKYJFTAF-BETUJISGSA-N 1 1 319.361 1.669 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896523832 711738087 /nfs/dbraw/zinc/73/80/87/711738087.db2.gz QYPQENCWBGYVEF-ZDUSSCGKSA-N 1 1 323.397 1.785 20 5 DDBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000905056370 711922297 /nfs/dbraw/zinc/92/22/97/711922297.db2.gz YMXHTYUYDLSLDP-UHFFFAOYSA-N 1 1 317.345 1.906 20 5 DDBDMO C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807201 713303430 /nfs/dbraw/zinc/30/34/30/713303430.db2.gz XTCOLYBPDLLWJQ-HFAKWTLXSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807201 713303432 /nfs/dbraw/zinc/30/34/32/713303432.db2.gz XTCOLYBPDLLWJQ-HFAKWTLXSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000913933881 713321862 /nfs/dbraw/zinc/32/18/62/713321862.db2.gz USZZDXSDUPAFSR-NWDGAFQWSA-N 1 1 321.381 1.399 20 5 DDBDMO C[NH+](C)CC1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931483177 714108454 /nfs/dbraw/zinc/10/84/54/714108454.db2.gz XHVWILNDQNQABE-OAHLLOKOSA-N 1 1 323.393 1.017 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932000208 714229273 /nfs/dbraw/zinc/22/92/73/714229273.db2.gz AMOUFJXVZRMOCT-GFCCVEGCSA-N 1 1 308.334 1.798 20 5 DDBDMO [NH3+]CC[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000923486959 714373268 /nfs/dbraw/zinc/37/32/68/714373268.db2.gz VXZNRJZMCIIWOF-LBPRGKRZSA-N 1 1 318.377 1.155 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000933220741 714539759 /nfs/dbraw/zinc/53/97/59/714539759.db2.gz JMFNDMSMCYKMTC-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000933220741 714539762 /nfs/dbraw/zinc/53/97/62/714539762.db2.gz JMFNDMSMCYKMTC-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO COC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000933330004 714563597 /nfs/dbraw/zinc/56/35/97/714563597.db2.gz FJKNDDDLGBPOCW-AWEZNQCLSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000933330004 714563599 /nfs/dbraw/zinc/56/35/99/714563599.db2.gz FJKNDDDLGBPOCW-AWEZNQCLSA-N 1 1 323.349 1.271 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000933440020 714589699 /nfs/dbraw/zinc/58/96/99/714589699.db2.gz XDMBIQLHULEGAH-DGCLKSJQSA-N 1 1 323.397 1.288 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000933762184 714667366 /nfs/dbraw/zinc/66/73/66/714667366.db2.gz RUYBYDUMFSHRLF-NHYWBVRUSA-N 1 1 307.325 1.821 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1[N+](=O)[O-] ZINC000934433199 714820686 /nfs/dbraw/zinc/82/06/86/714820686.db2.gz DJIOYTSYZUGVDS-ZIAGYGMSSA-N 1 1 317.345 1.927 20 5 DDBDMO Cc1noc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1[N+](=O)[O-] ZINC000934433199 714820687 /nfs/dbraw/zinc/82/06/87/714820687.db2.gz DJIOYTSYZUGVDS-ZIAGYGMSSA-N 1 1 317.345 1.927 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000611615649 721911675 /nfs/dbraw/zinc/91/16/75/721911675.db2.gz SKSNYYPQYRUWGW-CQSZACIVSA-N 1 1 320.393 1.908 20 5 DDBDMO Cc1nc(Cl)nc(N2CCc3[nH+]ccn3CC2)c1[N+](=O)[O-] ZINC001167178265 732806359 /nfs/dbraw/zinc/80/63/59/732806359.db2.gz QHBPUDHYAMRREH-UHFFFAOYSA-N 1 1 308.729 1.606 20 5 DDBDMO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063428 734368684 /nfs/dbraw/zinc/36/86/84/734368684.db2.gz BKXSLBWOTFKFFI-QKPAOTATSA-N 1 1 317.389 1.651 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001184364204 744019718 /nfs/dbraw/zinc/01/97/18/744019718.db2.gz OOJSGTIPHGIZPV-NVSXCDJOSA-N 1 1 320.389 1.921 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1nn(C)cc1[N+](=O)[O-] ZINC001186380806 744394617 /nfs/dbraw/zinc/39/46/17/744394617.db2.gz NJFSGRSPUBOINO-UHFFFAOYSA-N 1 1 307.354 1.880 20 5 DDBDMO COc1cccc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161708634 745601388 /nfs/dbraw/zinc/60/13/88/745601388.db2.gz PBAVJKYRDHGLRD-UHFFFAOYSA-N 1 1 308.382 1.653 20 5 DDBDMO CC(C)(C)C(=O)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124976560 748741686 /nfs/dbraw/zinc/74/16/86/748741686.db2.gz DAOYSAJWMAWWEU-UHFFFAOYSA-N 1 1 313.379 1.477 20 5 DDBDMO [NH3+]Cc1ncn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)n1 ZINC001168750356 749055852 /nfs/dbraw/zinc/05/58/52/749055852.db2.gz MHLKZGDRPFQUEV-UHFFFAOYSA-N 1 1 305.685 1.231 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673700 762077284 /nfs/dbraw/zinc/07/72/84/762077284.db2.gz JKUPDYGEVDRIMS-HZPDHXFCSA-N 1 1 319.405 1.900 20 5 DDBDMO O=C(NCC1=CC[N@H+](CC2=CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673700 762077294 /nfs/dbraw/zinc/07/72/94/762077294.db2.gz JKUPDYGEVDRIMS-HZPDHXFCSA-N 1 1 319.405 1.900 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CC2=CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673700 762077303 /nfs/dbraw/zinc/07/73/03/762077303.db2.gz JKUPDYGEVDRIMS-HZPDHXFCSA-N 1 1 319.405 1.900 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007603 762176079 /nfs/dbraw/zinc/17/60/79/762176079.db2.gz OMIMZTMCAYEEAZ-DBIOUOCHSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007603 762176084 /nfs/dbraw/zinc/17/60/84/762176084.db2.gz OMIMZTMCAYEEAZ-DBIOUOCHSA-N 1 1 314.279 1.769 20 5 DDBDMO COc1cnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054639 762209710 /nfs/dbraw/zinc/20/97/10/762209710.db2.gz NBNGEQKJJFLVTF-YNEHKIRRSA-N 1 1 322.365 1.384 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139013 760612835 /nfs/dbraw/zinc/61/28/35/760612835.db2.gz MJSXMQJWAVVYHF-HKUMRIAESA-N 1 1 307.325 1.228 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328986 766253913 /nfs/dbraw/zinc/25/39/13/766253913.db2.gz MRXPYYZXZXWRNB-UHTWSYAYSA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328986 766253920 /nfs/dbraw/zinc/25/39/20/766253920.db2.gz MRXPYYZXZXWRNB-UHTWSYAYSA-N 1 1 312.341 1.939 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001267240882 837587105 /nfs/dbraw/zinc/58/71/05/837587105.db2.gz BKXTWDDBPSLULB-HZPDHXFCSA-N 1 1 319.405 1.907 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001267240882 837587117 /nfs/dbraw/zinc/58/71/17/837587117.db2.gz BKXTWDDBPSLULB-HZPDHXFCSA-N 1 1 319.405 1.907 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001267240882 837587123 /nfs/dbraw/zinc/58/71/23/837587123.db2.gz BKXTWDDBPSLULB-HZPDHXFCSA-N 1 1 319.405 1.907 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266298721 836076432 /nfs/dbraw/zinc/07/64/32/836076432.db2.gz NOKDJSOEJSBIFA-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696340 836683895 /nfs/dbraw/zinc/68/38/95/836683895.db2.gz FPFYFGKJDHBECE-ZIAGYGMSSA-N 1 1 317.345 1.646 20 5 DDBDMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001266898497 837023884 /nfs/dbraw/zinc/02/38/84/837023884.db2.gz MYVOXTQGTMOSAZ-FOLVSLTJSA-N 1 1 319.361 1.178 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001123318756 859173118 /nfs/dbraw/zinc/17/31/18/859173118.db2.gz SGLIXIFVRFAHAZ-FZMZJTMJSA-N 1 1 321.381 1.351 20 5 DDBDMO C[N@H+]1CCC[C@H]1CO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001224828359 881549745 /nfs/dbraw/zinc/54/97/45/881549745.db2.gz CRRDUYBXVDAKHN-KBPBESRZSA-N 1 1 306.366 1.679 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335116693 868075365 /nfs/dbraw/zinc/07/53/65/868075365.db2.gz JMWMXWUYEKKRKK-OLZOCXBDSA-N 1 1 309.341 1.769 20 5 DDBDMO Cc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)[nH+]1 ZINC001163666449 868610031 /nfs/dbraw/zinc/61/00/31/868610031.db2.gz RYZMGMMYHUNNBI-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001336779625 869136175 /nfs/dbraw/zinc/13/61/75/869136175.db2.gz VQNCFAMUSVNLNR-JSGCOSHPSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CN(C)C ZINC001336779625 869136182 /nfs/dbraw/zinc/13/61/82/869136182.db2.gz VQNCFAMUSVNLNR-JSGCOSHPSA-N 1 1 311.382 1.122 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H](CO)[C@H](CCO)C3)c2c1 ZINC001336870503 869192313 /nfs/dbraw/zinc/19/23/13/869192313.db2.gz VJABJNMPJXLLOD-VXGBXAGGSA-N 1 1 317.345 1.570 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001338463878 869993241 /nfs/dbraw/zinc/99/32/41/869993241.db2.gz NPNWPZZTTRJZBA-HOSYDEDBSA-N 1 1 307.325 1.804 20 5 DDBDMO C[N@H+](CCNC(=O)c1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC001317435916 870828633 /nfs/dbraw/zinc/82/86/33/870828633.db2.gz BOBGDKBWUCXQCG-UHFFFAOYSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC001317435916 870828642 /nfs/dbraw/zinc/82/86/42/870828642.db2.gz BOBGDKBWUCXQCG-UHFFFAOYSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cnon1)Cc1ccccc1[N+](=O)[O-] ZINC001316856037 871356301 /nfs/dbraw/zinc/35/63/01/871356301.db2.gz YTUPVGANODEGRE-UHFFFAOYSA-N 1 1 319.321 1.230 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001343630182 872693631 /nfs/dbraw/zinc/69/36/31/872693631.db2.gz ILMRVLKOMZTDBB-CYBMUJFWSA-N 1 1 324.429 1.487 20 5 DDBDMO O=[N+]([O-])c1cnc(OC2CC[NH+](CCF)CC2)c([N+](=O)[O-])c1 ZINC001227107791 882837659 /nfs/dbraw/zinc/83/76/59/882837659.db2.gz HEHSGKPKFMUWMU-UHFFFAOYSA-N 1 1 314.273 1.711 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349920773 875457446 /nfs/dbraw/zinc/45/74/46/875457446.db2.gz KODXTBOHCLHUTD-JTQLQIEISA-N 1 1 308.338 1.819 20 5 DDBDMO COC(=O)c1c(COC2C[NH+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223292821 880908354 /nfs/dbraw/zinc/90/83/54/880908354.db2.gz AGLZSBZIDPNCKT-UHFFFAOYSA-N 1 1 308.334 1.991 20 5 DDBDMO CCOCC(=O)NCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001231406482 885620785 /nfs/dbraw/zinc/62/07/85/885620785.db2.gz JFTXEWPOOMCGQW-UHFFFAOYSA-N 1 1 315.395 1.631 20 5 DDBDMO CCOCC(=O)NCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001231406482 885620791 /nfs/dbraw/zinc/62/07/91/885620791.db2.gz JFTXEWPOOMCGQW-UHFFFAOYSA-N 1 1 315.395 1.631 20 5 DDBDMO N[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@H]1O ZINC001246570257 892703980 /nfs/dbraw/zinc/70/39/80/892703980.db2.gz FODGUVSEYDJIPZ-NUEKZKHPSA-N 1 1 305.378 1.236 20 5 DDBDMO N[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@H]1O ZINC001246570257 892703994 /nfs/dbraw/zinc/70/39/94/892703994.db2.gz FODGUVSEYDJIPZ-NUEKZKHPSA-N 1 1 305.378 1.236 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001254563640 896501527 /nfs/dbraw/zinc/50/15/27/896501527.db2.gz ABAOWLRLQWYDOQ-DOMZBBRYSA-N 1 1 322.361 1.790 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000248900362 282116557 /nfs/dbraw/zinc/11/65/57/282116557.db2.gz HFPRSXBPTVQTSU-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248996244 282125551 /nfs/dbraw/zinc/12/55/51/282125551.db2.gz YBIRJTVNFNXFHY-HZMBPMFUSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248996244 282125555 /nfs/dbraw/zinc/12/55/55/282125555.db2.gz YBIRJTVNFNXFHY-HZMBPMFUSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000614529947 361909638 /nfs/dbraw/zinc/90/96/38/361909638.db2.gz CVKUUXSOYXPAOS-NSHDSACASA-N 1 1 317.349 1.041 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452348653 231355878 /nfs/dbraw/zinc/35/58/78/231355878.db2.gz LIZUDGYTNRJYCZ-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000251499129 282201458 /nfs/dbraw/zinc/20/14/58/282201458.db2.gz BLJGYCRDLPDMAZ-CJNGLKHVSA-N 1 1 324.377 1.571 20 5 DDBDMO COC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251434517 282201002 /nfs/dbraw/zinc/20/10/02/282201002.db2.gz ASHYMNOAKIYZHY-WFASDCNBSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251434517 282201003 /nfs/dbraw/zinc/20/10/03/282201003.db2.gz ASHYMNOAKIYZHY-WFASDCNBSA-N 1 1 310.350 1.709 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745123 529803289 /nfs/dbraw/zinc/80/32/89/529803289.db2.gz NTIKCVAUNSIPHG-JOAKQRRISA-N 1 1 307.325 1.815 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457212802 232015029 /nfs/dbraw/zinc/01/50/29/232015029.db2.gz XZGITOILEUTDNS-UHFFFAOYSA-N 1 1 306.366 1.902 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294909803 530063076 /nfs/dbraw/zinc/06/30/76/530063076.db2.gz ISZNDJHFPILPBG-AWEZNQCLSA-N 1 1 319.361 1.768 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000272616696 210015707 /nfs/dbraw/zinc/01/57/07/210015707.db2.gz LHZIWVGJOXKKOY-MFKMUULPSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138208871 186015324 /nfs/dbraw/zinc/01/53/24/186015324.db2.gz KZAPWKHISZXBMY-QWRGUYRKSA-N 1 1 323.397 1.804 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000150726848 186060447 /nfs/dbraw/zinc/06/04/47/186060447.db2.gz PYXIQNHBHHSKTL-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000150730676 186060546 /nfs/dbraw/zinc/06/05/46/186060546.db2.gz QOUMYLCGEFQBTB-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029622293 352242490 /nfs/dbraw/zinc/24/24/90/352242490.db2.gz IHMGTYKSYRWVRA-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000331719397 234042492 /nfs/dbraw/zinc/04/24/92/234042492.db2.gz QXIRWGVNCCZTAQ-CABCVRRESA-N 1 1 319.361 1.717 20 5 DDBDMO CCN(CC)C(=O)C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051124156 352578196 /nfs/dbraw/zinc/57/81/96/352578196.db2.gz IXTQUTHAYZCQEP-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051124156 352578198 /nfs/dbraw/zinc/57/81/98/352578198.db2.gz IXTQUTHAYZCQEP-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO CC1(C)COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000064247553 352932363 /nfs/dbraw/zinc/93/23/63/352932363.db2.gz TUXCCICEPLRFAE-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000064247553 352932365 /nfs/dbraw/zinc/93/23/65/352932365.db2.gz TUXCCICEPLRFAE-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO CC(C)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065962278 352972861 /nfs/dbraw/zinc/97/28/61/352972861.db2.gz DFGWXAWSBTTXJM-UHFFFAOYSA-N 1 1 309.322 1.850 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000066138046 352979453 /nfs/dbraw/zinc/97/94/53/352979453.db2.gz GUHNYHOFIIZCHO-GFCCVEGCSA-N 1 1 309.366 1.820 20 5 DDBDMO CC1(C)COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066423662 352996465 /nfs/dbraw/zinc/99/64/65/352996465.db2.gz TUXCCICEPLRFAE-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066423662 352996467 /nfs/dbraw/zinc/99/64/67/352996467.db2.gz TUXCCICEPLRFAE-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173399858 198210766 /nfs/dbraw/zinc/21/07/66/198210766.db2.gz VAEBQHUEWHQDFD-KBPBESRZSA-N 1 1 306.410 1.881 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067412504 353047529 /nfs/dbraw/zinc/04/75/29/353047529.db2.gz SANZDKMMPVOXTM-AWEZNQCLSA-N 1 1 321.377 1.822 20 5 DDBDMO O=[N+]([O-])c1cnccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797654 353173986 /nfs/dbraw/zinc/17/39/86/353173986.db2.gz NRBWGYTYOLLMML-ZDUSSCGKSA-N 1 1 306.366 1.538 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069575847 353168544 /nfs/dbraw/zinc/16/85/44/353168544.db2.gz YKANNILNMTTXLV-UHFFFAOYSA-N 1 1 321.377 1.700 20 5 DDBDMO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000077965669 353498177 /nfs/dbraw/zinc/49/81/77/353498177.db2.gz DVFNYKCSQLALLL-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089928375 353783693 /nfs/dbraw/zinc/78/36/93/353783693.db2.gz JOFILSGTWBLCKC-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089928375 353783695 /nfs/dbraw/zinc/78/36/95/353783695.db2.gz JOFILSGTWBLCKC-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)C1CC1 ZINC000156634059 354220288 /nfs/dbraw/zinc/22/02/88/354220288.db2.gz CJOCKKKRIWFPJB-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)C1CC1 ZINC000156634059 354220295 /nfs/dbraw/zinc/22/02/95/354220295.db2.gz CJOCKKKRIWFPJB-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO COCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293040631 354453410 /nfs/dbraw/zinc/45/34/10/354453410.db2.gz GZWFRCSHRSPTJT-CYBMUJFWSA-N 1 1 321.377 1.778 20 5 DDBDMO Cc1nn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000303369520 354462154 /nfs/dbraw/zinc/46/21/54/354462154.db2.gz JTWTWUWOEDDCMG-HNNXBMFYSA-N 1 1 318.377 1.901 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000589510903 354997906 /nfs/dbraw/zinc/99/79/06/354997906.db2.gz UNJXPNISUIDLIX-ZYHUDNBSSA-N 1 1 308.334 1.584 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590045782 355043338 /nfs/dbraw/zinc/04/33/38/355043338.db2.gz WDLCLIMWJLGGEL-IUODEOHRSA-N 1 1 319.361 1.445 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590445085 355098783 /nfs/dbraw/zinc/09/87/83/355098783.db2.gz MZZOLIKOZFCJBD-AAEUAGOBSA-N 1 1 319.361 1.770 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@](C)(C(N)=O)C(C)C)c1 ZINC000593027960 355774149 /nfs/dbraw/zinc/77/41/49/355774149.db2.gz HJOHIALSXIFFSZ-OAHLLOKOSA-N 1 1 323.349 1.371 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000595533895 356536858 /nfs/dbraw/zinc/53/68/58/356536858.db2.gz PPHJLETVCDFYPZ-UHFFFAOYSA-N 1 1 319.361 1.573 20 5 DDBDMO CC[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536899 356538704 /nfs/dbraw/zinc/53/87/04/356538704.db2.gz XAMZZABQUBYAQY-LBPRGKRZSA-N 1 1 320.393 1.610 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758438 356639917 /nfs/dbraw/zinc/63/99/17/356639917.db2.gz MYBJAFYYLDLOPZ-XEZPLFJOSA-N 1 1 322.361 1.303 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761675 356642294 /nfs/dbraw/zinc/64/22/94/356642294.db2.gz ZBHXHELHKJDLTN-IUODEOHRSA-N 1 1 305.334 1.162 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1C ZINC000347202616 283207056 /nfs/dbraw/zinc/20/70/56/283207056.db2.gz KTMUWLZPDKJMIW-ZYHUDNBSSA-N 1 1 308.334 1.987 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595870480 356686145 /nfs/dbraw/zinc/68/61/45/356686145.db2.gz GOPXMXZZUOLHPO-MLGOLLRUSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595870480 356686149 /nfs/dbraw/zinc/68/61/49/356686149.db2.gz GOPXMXZZUOLHPO-MLGOLLRUSA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596076294 356764057 /nfs/dbraw/zinc/76/40/57/356764057.db2.gz OULWAEAKJVESDO-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO C[NH+](C)CCN1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078317 356765237 /nfs/dbraw/zinc/76/52/37/356765237.db2.gz WGWBZPVCNPCISO-UHFFFAOYSA-N 1 1 309.370 1.133 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596094036 356769952 /nfs/dbraw/zinc/76/99/52/356769952.db2.gz HFGMNVJPRANCOI-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596308734 356852750 /nfs/dbraw/zinc/85/27/50/356852750.db2.gz MKOOVOQOIUEZDU-JTQLQIEISA-N 1 1 306.366 1.978 20 5 DDBDMO Cc1ccnc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596362397 356864473 /nfs/dbraw/zinc/86/44/73/356864473.db2.gz ZWXIMVVZCQNTCI-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1ccnc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596362397 356864477 /nfs/dbraw/zinc/86/44/77/356864477.db2.gz ZWXIMVVZCQNTCI-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]3COC[C@@H]3C1)OCCO2 ZINC000597231768 357103589 /nfs/dbraw/zinc/10/35/89/357103589.db2.gz QPCOVUIOGUDPJM-AAEUAGOBSA-N 1 1 320.345 1.834 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276854796 213135621 /nfs/dbraw/zinc/13/56/21/213135621.db2.gz FIEIYECCZRHPFC-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858575 357360726 /nfs/dbraw/zinc/36/07/26/357360726.db2.gz NMNLIYCAWSXPGD-SECBINFHSA-N 1 1 309.370 1.483 20 5 DDBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598040929 357438822 /nfs/dbraw/zinc/43/88/22/357438822.db2.gz JKFYCCIUYZAVBY-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598042567 357439601 /nfs/dbraw/zinc/43/96/01/357439601.db2.gz PSFJWMCSRNONPV-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598218999 357497280 /nfs/dbraw/zinc/49/72/80/357497280.db2.gz KKOYTSMLHQAABP-SNVBAGLBSA-N 1 1 307.354 1.455 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647062 357668533 /nfs/dbraw/zinc/66/85/33/357668533.db2.gz BPUSHZBFEBCPKL-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647062 357668535 /nfs/dbraw/zinc/66/85/35/357668535.db2.gz BPUSHZBFEBCPKL-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647127 357669290 /nfs/dbraw/zinc/66/92/90/357669290.db2.gz BUTVSAKFMWVEFV-QWHCGFSZSA-N 1 1 324.377 1.933 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000599141813 357828050 /nfs/dbraw/zinc/82/80/50/357828050.db2.gz RLWFQJQDZDEQIY-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599569533 357978415 /nfs/dbraw/zinc/97/84/15/357978415.db2.gz NRFYFIRRAQNNLE-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599569533 357978420 /nfs/dbraw/zinc/97/84/20/357978420.db2.gz NRFYFIRRAQNNLE-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000600115356 358127593 /nfs/dbraw/zinc/12/75/93/358127593.db2.gz FXPCLPSHIXZPRN-LLVKDONJSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000600115356 358127595 /nfs/dbraw/zinc/12/75/95/358127595.db2.gz FXPCLPSHIXZPRN-LLVKDONJSA-N 1 1 303.322 1.973 20 5 DDBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@]1(C)C(=O)NC2=O ZINC000602723865 359150571 /nfs/dbraw/zinc/15/05/71/359150571.db2.gz HQZFBZJCIZSPEC-GASCZTMLSA-N 1 1 321.308 1.219 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000602839809 359228355 /nfs/dbraw/zinc/22/83/55/359228355.db2.gz IVAMJXIHFUMBNX-GJZGRUSLSA-N 1 1 316.361 1.908 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602915309 359291948 /nfs/dbraw/zinc/29/19/48/359291948.db2.gz AIFPATSDKNWKKY-PTEHBNRSSA-N 1 1 324.381 1.762 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000602953292 359318276 /nfs/dbraw/zinc/31/82/76/359318276.db2.gz RYHVPARUNMUBBW-ZDUSSCGKSA-N 1 1 321.381 1.524 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964532 359327799 /nfs/dbraw/zinc/32/77/99/359327799.db2.gz QZKMVBBUWMCDFW-LSDHHAIUSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000602965140 359329266 /nfs/dbraw/zinc/32/92/66/359329266.db2.gz ZRSBCKOQALTQTI-ZFWWWQNUSA-N 1 1 310.350 1.575 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997845 359346755 /nfs/dbraw/zinc/34/67/55/359346755.db2.gz RXEPSEKECZRDHI-ZNMIVQPWSA-N 1 1 321.377 1.382 20 5 DDBDMO Cc1[nH+]ccn1Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603199222 359474974 /nfs/dbraw/zinc/47/49/74/359474974.db2.gz WOYMYJXLEJKWEI-UHFFFAOYSA-N 1 1 312.333 1.982 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186796832 200012265 /nfs/dbraw/zinc/01/22/65/200012265.db2.gz YNTVMQWAUQGVFC-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186796832 200012267 /nfs/dbraw/zinc/01/22/67/200012267.db2.gz YNTVMQWAUQGVFC-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186900510 200028778 /nfs/dbraw/zinc/02/87/78/200028778.db2.gz HPDTXANIZJCYTP-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c(Cl)c1 ZINC000603418186 359628739 /nfs/dbraw/zinc/62/87/39/359628739.db2.gz CPKVHJSDKOMHFC-GFCCVEGCSA-N 1 1 301.730 1.011 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186947034 200037090 /nfs/dbraw/zinc/03/70/90/200037090.db2.gz IRBPJCRBIVCFJP-NWDGAFQWSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000186947034 200037092 /nfs/dbraw/zinc/03/70/92/200037092.db2.gz IRBPJCRBIVCFJP-NWDGAFQWSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000189383838 200390707 /nfs/dbraw/zinc/39/07/07/200390707.db2.gz QSURWXVOHRSTIM-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1c(C(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000189383838 200390708 /nfs/dbraw/zinc/39/07/08/200390708.db2.gz QSURWXVOHRSTIM-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO CCC[N@@H+](CC)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189335973 200383771 /nfs/dbraw/zinc/38/37/71/200383771.db2.gz DQHRYCUTOCWIAT-UHFFFAOYSA-N 1 1 310.354 1.920 20 5 DDBDMO COC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000189420980 200398988 /nfs/dbraw/zinc/39/89/88/200398988.db2.gz ASHYMNOAKIYZHY-SWLSCSKDSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000189420980 200398989 /nfs/dbraw/zinc/39/89/89/200398989.db2.gz ASHYMNOAKIYZHY-SWLSCSKDSA-N 1 1 310.350 1.709 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000609269713 360286125 /nfs/dbraw/zinc/28/61/25/360286125.db2.gz VXNSBHDCOFPKOV-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO COc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000609547383 360323017 /nfs/dbraw/zinc/32/30/17/360323017.db2.gz BNJDYCAMEJLDJG-GFCCVEGCSA-N 1 1 307.350 1.704 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCCO)C3CC3)n2)c1 ZINC000609846185 360355623 /nfs/dbraw/zinc/35/56/23/360355623.db2.gz UQLYXGWMQYMXAU-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCCO)C3CC3)n2)c1 ZINC000609846185 360355626 /nfs/dbraw/zinc/35/56/26/360355626.db2.gz UQLYXGWMQYMXAU-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395585 360425043 /nfs/dbraw/zinc/42/50/43/360425043.db2.gz JTBJGWDGXNKHMQ-LBPRGKRZSA-N 1 1 321.377 1.797 20 5 DDBDMO C[C@H]1CCN(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395585 360425049 /nfs/dbraw/zinc/42/50/49/360425049.db2.gz JTBJGWDGXNKHMQ-LBPRGKRZSA-N 1 1 321.377 1.797 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610636253 360487905 /nfs/dbraw/zinc/48/79/05/360487905.db2.gz CQCXGVGNVCRSIH-ZDUSSCGKSA-N 1 1 320.393 1.328 20 5 DDBDMO Cc1nc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754536 360527805 /nfs/dbraw/zinc/52/78/05/360527805.db2.gz YEBMANHUYWRSSV-AWEZNQCLSA-N 1 1 320.393 1.989 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000611526212 360748028 /nfs/dbraw/zinc/74/80/28/360748028.db2.gz DFAOFYGUIMMPDM-UHFFFAOYSA-N 1 1 317.349 1.356 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193470332 201057453 /nfs/dbraw/zinc/05/74/53/201057453.db2.gz ZMOKORLBYKWWAX-OAHLLOKOSA-N 1 1 318.333 1.077 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193470332 201057456 /nfs/dbraw/zinc/05/74/56/201057456.db2.gz ZMOKORLBYKWWAX-OAHLLOKOSA-N 1 1 318.333 1.077 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000281462144 216316378 /nfs/dbraw/zinc/31/63/78/216316378.db2.gz RHFRMQZCMFXGOA-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000281462144 216316382 /nfs/dbraw/zinc/31/63/82/216316382.db2.gz RHFRMQZCMFXGOA-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000619536091 364051430 /nfs/dbraw/zinc/05/14/30/364051430.db2.gz IQOMHTJAJVKRLU-LBPRGKRZSA-N 1 1 307.350 1.492 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868429 364167478 /nfs/dbraw/zinc/16/74/78/364167478.db2.gz CUEOGIOYYZPKSQ-UHFFFAOYSA-N 1 1 321.381 1.126 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359223197 299363449 /nfs/dbraw/zinc/36/34/49/299363449.db2.gz HRHVIYOEYKUGJY-GFCCVEGCSA-N 1 1 304.350 1.631 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000275173314 212171699 /nfs/dbraw/zinc/17/16/99/212171699.db2.gz AXQCBPGPGPDBJA-UHFFFAOYSA-N 1 1 303.322 1.294 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](O)C1 ZINC000265001611 204335921 /nfs/dbraw/zinc/33/59/21/204335921.db2.gz DXLGYMVEXQHDKS-CABZTGNLSA-N 1 1 304.306 1.772 20 5 DDBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](O)C1 ZINC000265001611 204335925 /nfs/dbraw/zinc/33/59/25/204335925.db2.gz DXLGYMVEXQHDKS-CABZTGNLSA-N 1 1 304.306 1.772 20 5 DDBDMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000266421460 205334159 /nfs/dbraw/zinc/33/41/59/205334159.db2.gz ARLODDCNTPJGML-QMMMGPOBSA-N 1 1 305.256 1.924 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000267767609 206268639 /nfs/dbraw/zinc/26/86/39/206268639.db2.gz GBAIXFMVJSLITO-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000038533615 183001862 /nfs/dbraw/zinc/00/18/62/183001862.db2.gz USGZOWDDVDCOKJ-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(F)c1 ZINC000336838881 249246354 /nfs/dbraw/zinc/24/63/54/249246354.db2.gz NRGYGDASTDDBMK-LLVKDONJSA-N 1 1 302.327 1.401 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284740397 218157782 /nfs/dbraw/zinc/15/77/82/218157782.db2.gz DJIMXOKRVHQONB-CVEARBPZSA-N 1 1 321.377 1.379 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106400143 194208335 /nfs/dbraw/zinc/20/83/35/194208335.db2.gz XKWBHUDJNQVXIQ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000110815578 194360569 /nfs/dbraw/zinc/36/05/69/194360569.db2.gz VOXFRBIDUQPLND-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+](C)C1CC1 ZINC000057716083 184049792 /nfs/dbraw/zinc/04/97/92/184049792.db2.gz DJPKKWJZXHLVKP-LLVKDONJSA-N 1 1 320.393 1.873 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+](C)CCN(C)C ZINC000341089953 251375092 /nfs/dbraw/zinc/37/50/92/251375092.db2.gz QYLUIKDUUNTLON-UHFFFAOYSA-N 1 1 312.418 1.415 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCN(C)CC[NH+](C)C ZINC000341089953 251375095 /nfs/dbraw/zinc/37/50/95/251375095.db2.gz QYLUIKDUUNTLON-UHFFFAOYSA-N 1 1 312.418 1.415 20 5 DDBDMO Cc1c(C(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000352395914 285021138 /nfs/dbraw/zinc/02/11/38/285021138.db2.gz UFHWRVQNITTZJA-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000567796241 304242923 /nfs/dbraw/zinc/24/29/23/304242923.db2.gz MDQJISUIVLKWBF-XPKDYRNWSA-N 1 1 322.361 1.445 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)CC1CC1 ZINC000352467070 285071623 /nfs/dbraw/zinc/07/16/23/285071623.db2.gz IEHZFRSHZASNFS-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352657691 285201825 /nfs/dbraw/zinc/20/18/25/285201825.db2.gz BYTRMFTTXVUSFK-UONOGXRCSA-N 1 1 307.350 1.769 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294923312 224313706 /nfs/dbraw/zinc/31/37/06/224313706.db2.gz BBTMVMZGDDWETL-OAHLLOKOSA-N 1 1 308.334 1.606 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000299565069 533665662 /nfs/dbraw/zinc/66/56/62/533665662.db2.gz USMLODAVLKIVJP-JTQLQIEISA-N 1 1 309.370 1.621 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440146 407088799 /nfs/dbraw/zinc/08/87/99/407088799.db2.gz RSLZBGNXMYPYJE-CYBMUJFWSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440146 407088803 /nfs/dbraw/zinc/08/88/03/407088803.db2.gz RSLZBGNXMYPYJE-CYBMUJFWSA-N 1 1 312.801 1.584 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2CO)c2c(c1)COCO2 ZINC000052870880 407158546 /nfs/dbraw/zinc/15/85/46/407158546.db2.gz FJMPRXQOSZFDRF-CYBMUJFWSA-N 1 1 308.334 1.808 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2CO)c2c(c1)COCO2 ZINC000052870880 407158549 /nfs/dbraw/zinc/15/85/49/407158549.db2.gz FJMPRXQOSZFDRF-CYBMUJFWSA-N 1 1 308.334 1.808 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000057700545 407217254 /nfs/dbraw/zinc/21/72/54/407217254.db2.gz HCZBRRPWHKGVRK-JTQLQIEISA-N 1 1 309.370 1.089 20 5 DDBDMO CC[NH+](CC)[C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068080097 407294323 /nfs/dbraw/zinc/29/43/23/407294323.db2.gz WXTYRLFGAHKYBI-SNVBAGLBSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000124696605 407366276 /nfs/dbraw/zinc/36/62/76/407366276.db2.gz BQBKKBGKQQEUEE-CHWSQXEVSA-N 1 1 308.382 1.580 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107691356 407378450 /nfs/dbraw/zinc/37/84/50/407378450.db2.gz SHGDFBZQJXMXSR-NSHDSACASA-N 1 1 307.350 1.552 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000107895221 407381247 /nfs/dbraw/zinc/38/12/47/407381247.db2.gz PSFMFOGZAHXEII-SECBINFHSA-N 1 1 310.329 1.388 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111316490 407407489 /nfs/dbraw/zinc/40/74/89/407407489.db2.gz PSHSSEUPGDEBAK-ACJTYDJDSA-N 1 1 319.361 1.910 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111316490 407407490 /nfs/dbraw/zinc/40/74/90/407407490.db2.gz PSHSSEUPGDEBAK-ACJTYDJDSA-N 1 1 319.361 1.910 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112309914 407425913 /nfs/dbraw/zinc/42/59/13/407425913.db2.gz BYARJJALHKYELY-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000271010062 407467751 /nfs/dbraw/zinc/46/77/51/407467751.db2.gz HRPAKSSVAWNYND-UHFFFAOYSA-N 1 1 306.366 1.220 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265802579 407460980 /nfs/dbraw/zinc/46/09/80/407460980.db2.gz OGFHGEREPAZNLK-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO CSCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178977254 407680413 /nfs/dbraw/zinc/68/04/13/407680413.db2.gz HZGXSYAAWWUZEI-UHFFFAOYSA-N 1 1 309.391 1.716 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117292043 407824053 /nfs/dbraw/zinc/82/40/53/407824053.db2.gz ASLBAUYKPXHBIM-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000117292043 407824054 /nfs/dbraw/zinc/82/40/54/407824054.db2.gz ASLBAUYKPXHBIM-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO Cn1cc[nH+]c1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000153439644 407824998 /nfs/dbraw/zinc/82/49/98/407824998.db2.gz PVQPOXAEYCJZAJ-UHFFFAOYSA-N 1 1 313.111 1.301 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000245442852 407981634 /nfs/dbraw/zinc/98/16/34/407981634.db2.gz WQYCPTPBACKFJC-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000245442852 407981640 /nfs/dbraw/zinc/98/16/40/407981640.db2.gz WQYCPTPBACKFJC-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272426292 407914884 /nfs/dbraw/zinc/91/48/84/407914884.db2.gz YHJWFARBMPTXDI-UHFFFAOYSA-N 1 1 301.293 1.755 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151144 407916648 /nfs/dbraw/zinc/91/66/48/407916648.db2.gz UQUPASLZXMTSEW-ABAIWWIYSA-N 1 1 318.377 1.877 20 5 DDBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000135560702 408030642 /nfs/dbraw/zinc/03/06/42/408030642.db2.gz WFJNOHUDNMQRMV-CYBMUJFWSA-N 1 1 304.354 1.534 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189553189 408050122 /nfs/dbraw/zinc/05/01/22/408050122.db2.gz CFVYQIUFZHGWTD-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000181379465 407990081 /nfs/dbraw/zinc/99/00/81/407990081.db2.gz CMVNGFPTOZSTKN-JTQLQIEISA-N 1 1 321.362 1.177 20 5 DDBDMO CC[C@@H](CSC)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245592724 408023050 /nfs/dbraw/zinc/02/30/50/408023050.db2.gz LXXCGKVFGDGFLH-CMPLNLGQSA-N 1 1 302.400 1.226 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245856140 408080443 /nfs/dbraw/zinc/08/04/43/408080443.db2.gz KBSJGODASNMMGR-HOCLYGCPSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000245856140 408080448 /nfs/dbraw/zinc/08/04/48/408080448.db2.gz KBSJGODASNMMGR-HOCLYGCPSA-N 1 1 322.361 1.445 20 5 DDBDMO COc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000155075979 408124319 /nfs/dbraw/zinc/12/43/19/408124319.db2.gz QEYZWTYELLIKIS-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1sc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155611625 408187729 /nfs/dbraw/zinc/18/77/29/408187729.db2.gz BGNYHJOITJAGGS-UHFFFAOYSA-N 1 1 321.424 1.583 20 5 DDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182671669 408217398 /nfs/dbraw/zinc/21/73/98/408217398.db2.gz SLBYCEBCTTZCBM-SNVBAGLBSA-N 1 1 323.349 1.467 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190312620 408220373 /nfs/dbraw/zinc/22/03/73/408220373.db2.gz DFGLEORXZWKCOC-AOOOYVTPSA-N 1 1 300.384 1.963 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190312620 408220381 /nfs/dbraw/zinc/22/03/81/408220381.db2.gz DFGLEORXZWKCOC-AOOOYVTPSA-N 1 1 300.384 1.963 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000263820622 408274587 /nfs/dbraw/zinc/27/45/87/408274587.db2.gz ZWUMBIIVXOLVSI-UHFFFAOYSA-N 1 1 324.381 1.091 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151263306 408286836 /nfs/dbraw/zinc/28/68/36/408286836.db2.gz YKOPIYRYUANKRR-HNNXBMFYSA-N 1 1 320.393 1.805 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190884724 408335102 /nfs/dbraw/zinc/33/51/02/408335102.db2.gz YGRBIKKXWWFXOJ-OLZOCXBDSA-N 1 1 321.377 1.792 20 5 DDBDMO CSCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000138252798 162129640 /nfs/dbraw/zinc/12/96/40/162129640.db2.gz IHEMWLOQXHNZIT-ZDUSSCGKSA-N 1 1 309.391 1.995 20 5 DDBDMO CSCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000138252798 162129641 /nfs/dbraw/zinc/12/96/41/162129641.db2.gz IHEMWLOQXHNZIT-ZDUSSCGKSA-N 1 1 309.391 1.995 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183221019 408357519 /nfs/dbraw/zinc/35/75/19/408357519.db2.gz RSAYSIBWSYZCBR-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183221019 408357522 /nfs/dbraw/zinc/35/75/22/408357522.db2.gz RSAYSIBWSYZCBR-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000246875980 408358185 /nfs/dbraw/zinc/35/81/85/408358185.db2.gz WJDZJRWWWCUWAE-NEPJUHHUSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000246875980 408358189 /nfs/dbraw/zinc/35/81/89/408358189.db2.gz WJDZJRWWWCUWAE-NEPJUHHUSA-N 1 1 321.377 1.430 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000264429799 408486743 /nfs/dbraw/zinc/48/67/43/408486743.db2.gz ALRYNXZWEOXSGJ-UZYOAWRESA-N 1 1 319.361 1.445 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000177032803 408502301 /nfs/dbraw/zinc/50/23/01/408502301.db2.gz MJUZPIIYSFVBAG-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO Cn1cncc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177083854 408513813 /nfs/dbraw/zinc/51/38/13/408513813.db2.gz BATSCCLIMIDISV-LLVKDONJSA-N 1 1 302.338 1.410 20 5 DDBDMO Cn1cncc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177083854 408513821 /nfs/dbraw/zinc/51/38/21/408513821.db2.gz BATSCCLIMIDISV-LLVKDONJSA-N 1 1 302.338 1.410 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177081882 408514141 /nfs/dbraw/zinc/51/41/41/408514141.db2.gz XZISOKHRSOTQCL-SCZZXKLOSA-N 1 1 322.340 1.671 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177088008 408516665 /nfs/dbraw/zinc/51/66/65/408516665.db2.gz LOLMANGLGOBSRZ-VXGBXAGGSA-N 1 1 319.361 1.715 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1O ZINC000177215241 408555618 /nfs/dbraw/zinc/55/56/18/408555618.db2.gz JFCZYNDWRPGUJD-UHFFFAOYSA-N 1 1 306.322 1.638 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000162084155 408669765 /nfs/dbraw/zinc/66/97/65/408669765.db2.gz XQRACQGORZGOBV-UHFFFAOYSA-N 1 1 320.349 1.006 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000249569046 408743573 /nfs/dbraw/zinc/74/35/73/408743573.db2.gz NTUAGCVDPLSWLR-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000249569046 408743577 /nfs/dbraw/zinc/74/35/77/408743577.db2.gz NTUAGCVDPLSWLR-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193709929 408740793 /nfs/dbraw/zinc/74/07/93/408740793.db2.gz HOLFWBJAPVQVAC-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126357 408765150 /nfs/dbraw/zinc/76/51/50/408765150.db2.gz NDDLCHFPWBEEST-GIPWTMENSA-N 1 1 300.380 1.672 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276134217 408822178 /nfs/dbraw/zinc/82/21/78/408822178.db2.gz BQFQEEXKUPHLOA-JTQLQIEISA-N 1 1 313.379 1.362 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280832182 408843180 /nfs/dbraw/zinc/84/31/80/408843180.db2.gz WCHXAFPVEILBNA-OAHLLOKOSA-N 1 1 323.349 1.180 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276460247 408863226 /nfs/dbraw/zinc/86/32/26/408863226.db2.gz XINHBMSGMLQHOB-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188742014 163065386 /nfs/dbraw/zinc/06/53/86/163065386.db2.gz XLSTUWRODIBOIX-LBPRGKRZSA-N 1 1 321.377 1.296 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188742014 163065390 /nfs/dbraw/zinc/06/53/90/163065390.db2.gz XLSTUWRODIBOIX-LBPRGKRZSA-N 1 1 321.377 1.296 20 5 DDBDMO COc1cc(C[NH2+]CC2(C)OCCCO2)c([N+](=O)[O-])cc1O ZINC000277474107 408947092 /nfs/dbraw/zinc/94/70/92/408947092.db2.gz RUCXDNQZRAYNMI-UHFFFAOYSA-N 1 1 312.322 1.552 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277482158 408948821 /nfs/dbraw/zinc/94/88/21/408948821.db2.gz CPGBAXREHGDQDY-GHMZBOCLSA-N 1 1 319.365 1.362 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000281952718 408959845 /nfs/dbraw/zinc/95/98/45/408959845.db2.gz FQKFDWBHJKQAIU-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000277598568 408974457 /nfs/dbraw/zinc/97/44/57/408974457.db2.gz TYSQBFBYEIGVPS-LLVKDONJSA-N 1 1 307.354 1.075 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286428182 408982906 /nfs/dbraw/zinc/98/29/06/408982906.db2.gz IRGUNVOBFGSNHB-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO CCC[C@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000277755322 409005515 /nfs/dbraw/zinc/00/55/15/409005515.db2.gz LULBGMZOUHTLOJ-OAHLLOKOSA-N 1 1 309.366 1.384 20 5 DDBDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000287306796 409016639 /nfs/dbraw/zinc/01/66/39/409016639.db2.gz UNXZXRSNFZCFKW-XHDPSFHLSA-N 1 1 319.361 1.999 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000293584202 409142818 /nfs/dbraw/zinc/14/28/18/409142818.db2.gz ANVNIKKECDORLQ-HNNXBMFYSA-N 1 1 307.325 1.902 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000290164629 409312310 /nfs/dbraw/zinc/31/23/10/409312310.db2.gz PRIYBDUWNMHPCV-UHFFFAOYSA-N 1 1 322.409 1.550 20 5 DDBDMO CN(CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290164629 409312313 /nfs/dbraw/zinc/31/23/13/409312313.db2.gz PRIYBDUWNMHPCV-UHFFFAOYSA-N 1 1 322.409 1.550 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280463449 409315496 /nfs/dbraw/zinc/31/54/96/409315496.db2.gz FUVYPUHMVFLARJ-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000280518736 409338540 /nfs/dbraw/zinc/33/85/40/409338540.db2.gz CEZIJUVUBXTCQB-OAHLLOKOSA-N 1 1 307.350 1.561 20 5 DDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000295161153 409351010 /nfs/dbraw/zinc/35/10/10/409351010.db2.gz DVGPOEMCHDZZQZ-AWEZNQCLSA-N 1 1 311.313 1.377 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176786 409402953 /nfs/dbraw/zinc/40/29/53/409402953.db2.gz BLASBPBJJFAWBI-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN2CCO[C@H]1C2 ZINC000295379977 409455989 /nfs/dbraw/zinc/45/59/89/409455989.db2.gz KJENQXSYSJNPIO-CJNGLKHVSA-N 1 1 321.377 1.379 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000317417110 164027070 /nfs/dbraw/zinc/02/70/70/164027070.db2.gz YIWQBNGOTMTALC-GHMZBOCLSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000324467570 164051188 /nfs/dbraw/zinc/05/11/88/164051188.db2.gz ZFTVOBTWXUSMDM-GFCCVEGCSA-N 1 1 317.345 1.977 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130120 164237335 /nfs/dbraw/zinc/23/73/35/164237335.db2.gz SVISMLNEOMLWSX-KOLCDFICSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000304230910 409580139 /nfs/dbraw/zinc/58/01/39/409580139.db2.gz NKTYONTXSMKXNX-UHFFFAOYSA-N 1 1 309.322 1.207 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354008343 409596782 /nfs/dbraw/zinc/59/67/82/409596782.db2.gz SINDALPGBYZFNW-NSHDSACASA-N 1 1 309.370 1.079 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000354139156 409689829 /nfs/dbraw/zinc/68/98/29/409689829.db2.gz PKAFJUXRTVJWJH-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412987 409829523 /nfs/dbraw/zinc/82/95/23/409829523.db2.gz ZMTAPUSKLHXABR-MFKMUULPSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412987 409829527 /nfs/dbraw/zinc/82/95/27/409829527.db2.gz ZMTAPUSKLHXABR-MFKMUULPSA-N 1 1 310.350 1.815 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354374214 409806943 /nfs/dbraw/zinc/80/69/43/409806943.db2.gz YUWDZAUKWJWKTG-GFCCVEGCSA-N 1 1 308.382 1.928 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244103 409869668 /nfs/dbraw/zinc/86/96/68/409869668.db2.gz UNHIFFSBEGBRHS-JBLDHEPKSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244103 409869679 /nfs/dbraw/zinc/86/96/79/409869679.db2.gz UNHIFFSBEGBRHS-JBLDHEPKSA-N 1 1 321.381 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000346244103 409869689 /nfs/dbraw/zinc/86/96/89/409869689.db2.gz UNHIFFSBEGBRHS-JBLDHEPKSA-N 1 1 321.381 1.429 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000332309870 410056738 /nfs/dbraw/zinc/05/67/38/410056738.db2.gz XCILZTUMELFCTK-OLZOCXBDSA-N 1 1 319.361 1.960 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701778 410194901 /nfs/dbraw/zinc/19/49/01/410194901.db2.gz XSIILHYNWIWGGS-MWLCHTKSSA-N 1 1 308.338 1.671 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000298461487 410238869 /nfs/dbraw/zinc/23/88/69/410238869.db2.gz WRACWMVSJASPBO-UHFFFAOYSA-N 1 1 324.337 1.963 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351774284 410222941 /nfs/dbraw/zinc/22/29/41/410222941.db2.gz LHMUFKMPQXOKHC-BHDSKKPTSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351774284 410222946 /nfs/dbraw/zinc/22/29/46/410222946.db2.gz LHMUFKMPQXOKHC-BHDSKKPTSA-N 1 1 323.349 1.243 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351787264 410235264 /nfs/dbraw/zinc/23/52/64/410235264.db2.gz YTGXOEZMEGSNIZ-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000343538594 410516138 /nfs/dbraw/zinc/51/61/38/410516138.db2.gz CHXKJNGNBQDXCA-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO CC[N@@H+](C[C@H](C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187446 410532510 /nfs/dbraw/zinc/53/25/10/410532510.db2.gz RVSQBMIKZPBOPA-FZMZJTMJSA-N 1 1 307.350 1.403 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291219 410602058 /nfs/dbraw/zinc/60/20/58/410602058.db2.gz XIRJIPVROBSPNP-DOMZBBRYSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291219 410602064 /nfs/dbraw/zinc/60/20/64/410602064.db2.gz XIRJIPVROBSPNP-DOMZBBRYSA-N 1 1 321.377 1.881 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000353175782 410831334 /nfs/dbraw/zinc/83/13/34/410831334.db2.gz YOZLGXIDXXKJTJ-LLVKDONJSA-N 1 1 309.370 1.209 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000353175782 410831343 /nfs/dbraw/zinc/83/13/43/410831343.db2.gz YOZLGXIDXXKJTJ-LLVKDONJSA-N 1 1 309.370 1.209 20 5 DDBDMO C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343962756 410853688 /nfs/dbraw/zinc/85/36/88/410853688.db2.gz CNBDLTGLTFYFNN-QWRGUYRKSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343962756 410853693 /nfs/dbraw/zinc/85/36/93/410853693.db2.gz CNBDLTGLTFYFNN-QWRGUYRKSA-N 1 1 313.379 1.356 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356293979 410949621 /nfs/dbraw/zinc/94/96/21/410949621.db2.gz ITYNTFMXJRTQDJ-MRXNPFEDSA-N 1 1 318.377 1.856 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117198 410968141 /nfs/dbraw/zinc/96/81/41/410968141.db2.gz BLLUILYXXDOUDF-IPYPFGDCSA-N 1 1 324.377 1.427 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353480851 411021357 /nfs/dbraw/zinc/02/13/57/411021357.db2.gz JLJKAWZFHVOMAS-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000356459608 411041111 /nfs/dbraw/zinc/04/11/11/411041111.db2.gz BXLIDFWZOUYSSB-UHFFFAOYSA-N 1 1 313.277 1.161 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c1C ZINC000360180856 411091688 /nfs/dbraw/zinc/09/16/88/411091688.db2.gz NVQPFMGRHHPTFR-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c1C ZINC000360180856 411091692 /nfs/dbraw/zinc/09/16/92/411091692.db2.gz NVQPFMGRHHPTFR-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419010341 226004023 /nfs/dbraw/zinc/00/40/23/226004023.db2.gz XSEZIOCNOCUCNK-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419010341 226004028 /nfs/dbraw/zinc/00/40/28/226004028.db2.gz XSEZIOCNOCUCNK-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000361043149 418571710 /nfs/dbraw/zinc/57/17/10/418571710.db2.gz NZWFHIHSAZNJKI-LLVKDONJSA-N 1 1 304.354 1.847 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191814554 222110572 /nfs/dbraw/zinc/11/05/72/222110572.db2.gz TXVVSNCAUGSNFM-LBPRGKRZSA-N 1 1 323.397 1.806 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(NCC[N@@H+]3CC=CCC3)n2)cc1 ZINC000338711414 418620177 /nfs/dbraw/zinc/62/01/77/418620177.db2.gz KNMXFMMAZKGAOR-UHFFFAOYSA-N 1 1 315.333 2.319 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293308 418620530 /nfs/dbraw/zinc/62/05/30/418620530.db2.gz WNBCFRFCADELGR-FZMZJTMJSA-N 1 1 304.350 1.546 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000367825321 418639626 /nfs/dbraw/zinc/63/96/26/418639626.db2.gz JJGLHMIUEKDREC-LBPRGKRZSA-N 1 1 321.377 1.690 20 5 DDBDMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000361463927 418657064 /nfs/dbraw/zinc/65/70/64/418657064.db2.gz HRZLKUZCMRIETO-CYBMUJFWSA-N 1 1 316.379 1.839 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1ccnc1 ZINC000371324960 418779974 /nfs/dbraw/zinc/77/99/74/418779974.db2.gz BLOWXHVWFZAVOA-NEPJUHHUSA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1ccnc1 ZINC000371324960 418779975 /nfs/dbraw/zinc/77/99/75/418779975.db2.gz BLOWXHVWFZAVOA-NEPJUHHUSA-N 1 1 304.354 1.608 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000364602768 418792323 /nfs/dbraw/zinc/79/23/23/418792323.db2.gz HMYYIFKXQPLFBN-UHFFFAOYSA-N 1 1 302.338 1.804 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364762702 418809785 /nfs/dbraw/zinc/80/97/85/418809785.db2.gz RXIOGFKFZNGYIS-CYBMUJFWSA-N 1 1 301.350 1.788 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372604712 418886614 /nfs/dbraw/zinc/88/66/14/418886614.db2.gz CLCJHQLCKBNRMP-OAHLLOKOSA-N 1 1 319.409 1.595 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372604712 418886617 /nfs/dbraw/zinc/88/66/17/418886617.db2.gz CLCJHQLCKBNRMP-OAHLLOKOSA-N 1 1 319.409 1.595 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155908 418840581 /nfs/dbraw/zinc/84/05/81/418840581.db2.gz HVBCRMVCOPUPMB-JSGCOSHPSA-N 1 1 319.361 1.552 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930637 419362268 /nfs/dbraw/zinc/36/22/68/419362268.db2.gz CRRPVFNDTKNSIB-OLZOCXBDSA-N 1 1 321.377 1.874 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411622367 419362536 /nfs/dbraw/zinc/36/25/36/419362536.db2.gz SSPCSOVGJBWALQ-SOUVJXGZSA-N 1 1 303.362 1.909 20 5 DDBDMO COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000411915464 419486069 /nfs/dbraw/zinc/48/60/69/419486069.db2.gz ZHDQRJLCOIWNPI-CQSZACIVSA-N 1 1 321.377 1.440 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412063462 419609829 /nfs/dbraw/zinc/60/98/29/419609829.db2.gz BBSACGKTVXDMOM-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412063462 419609834 /nfs/dbraw/zinc/60/98/34/419609834.db2.gz BBSACGKTVXDMOM-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421700062 419682988 /nfs/dbraw/zinc/68/29/88/419682988.db2.gz CXXJNMBQJPLKPC-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000413468571 419786208 /nfs/dbraw/zinc/78/62/08/419786208.db2.gz HUHDAXRSLLDTNV-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000299338843 229060218 /nfs/dbraw/zinc/06/02/18/229060218.db2.gz JVUGCNOVZJHAMH-UHFFFAOYSA-N 1 1 305.334 1.280 20 5 DDBDMO CC(C)(C)[C@H](C[NH3+])NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420360306 420235082 /nfs/dbraw/zinc/23/50/82/420235082.db2.gz LACLCCRHBGYHNP-ZDUSSCGKSA-N 1 1 308.382 1.886 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423974078 420288756 /nfs/dbraw/zinc/28/87/56/420288756.db2.gz RQCJMDXLTSYKGV-NSHDSACASA-N 1 1 318.358 1.838 20 5 DDBDMO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430947494 420220241 /nfs/dbraw/zinc/22/02/41/420220241.db2.gz BHDWQTNXGYSWRK-NEPJUHHUSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688244 230121429 /nfs/dbraw/zinc/12/14/29/230121429.db2.gz IXNNWQYUAJKGKC-GHMZBOCLSA-N 1 1 303.366 1.996 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457080687 420604233 /nfs/dbraw/zinc/60/42/33/420604233.db2.gz URPUAIUUIPFCJE-UHFFFAOYSA-N 1 1 309.370 1.485 20 5 DDBDMO COCC[N@@H+](C)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487933134 421058338 /nfs/dbraw/zinc/05/83/38/421058338.db2.gz SYMCNWSXKCGOBG-UHFFFAOYSA-N 1 1 318.377 1.945 20 5 DDBDMO COC(=O)C1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000450557147 421210112 /nfs/dbraw/zinc/21/01/12/421210112.db2.gz BMMNJAXMSMMXJE-NSHDSACASA-N 1 1 320.349 1.429 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000514750070 421451186 /nfs/dbraw/zinc/45/11/86/421451186.db2.gz KJGBNWAJACZZEB-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000514750070 421451188 /nfs/dbraw/zinc/45/11/88/421451188.db2.gz KJGBNWAJACZZEB-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059750 421394173 /nfs/dbraw/zinc/39/41/73/421394173.db2.gz XDWMFJIXXWSKNJ-SNVBAGLBSA-N 1 1 307.354 1.176 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714398 421465412 /nfs/dbraw/zinc/46/54/12/421465412.db2.gz WCSAKWJXGXBNQQ-NSHDSACASA-N 1 1 321.381 1.566 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000551270342 421529710 /nfs/dbraw/zinc/52/97/10/421529710.db2.gz GVGSPAKFHOQYOC-OAHLLOKOSA-N 1 1 314.345 1.989 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000517484688 421614561 /nfs/dbraw/zinc/61/45/61/421614561.db2.gz VGKKCMJFIPZISG-LBPRGKRZSA-N 1 1 304.350 1.737 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000531634630 421641604 /nfs/dbraw/zinc/64/16/04/421641604.db2.gz BSILMQBNOYCVHL-FZMZJTMJSA-N 1 1 306.366 1.792 20 5 DDBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000531665066 421642921 /nfs/dbraw/zinc/64/29/21/421642921.db2.gz PIVDEXDLUCWNTJ-YPMHNXCESA-N 1 1 322.365 1.296 20 5 DDBDMO [NH3+]CC(F)(F)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000583448316 422168793 /nfs/dbraw/zinc/16/87/93/422168793.db2.gz XKXVYIVMUPVYHA-UHFFFAOYSA-N 1 1 307.684 1.849 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000590582371 422319746 /nfs/dbraw/zinc/31/97/46/422319746.db2.gz QUYRIZTUSIZDHK-DZGCQCFKSA-N 1 1 313.361 2.429 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597860252 422391870 /nfs/dbraw/zinc/39/18/70/422391870.db2.gz MPLWMPYVUURLNL-SNVBAGLBSA-N 1 1 321.381 1.422 20 5 DDBDMO COC(=O)c1ccnc(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598630887 422397756 /nfs/dbraw/zinc/39/77/56/422397756.db2.gz IFLPBDJGUOXIDJ-UHFFFAOYSA-N 1 1 322.365 2.063 20 5 DDBDMO Cc1cc(NCCCN2CCC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000610430875 422466724 /nfs/dbraw/zinc/46/67/24/422466724.db2.gz SBVPORAMDYBERG-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000610430875 422466729 /nfs/dbraw/zinc/46/67/29/422466729.db2.gz SBVPORAMDYBERG-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cc(NCCC[N@@H+]2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000610430875 422466732 /nfs/dbraw/zinc/46/67/32/422466732.db2.gz SBVPORAMDYBERG-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000341583123 271128028 /nfs/dbraw/zinc/12/80/28/271128028.db2.gz UISULLXAWUIHOU-TZMCWYRMSA-N 1 1 307.350 1.257 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)on1 ZINC000341609218 271138521 /nfs/dbraw/zinc/13/85/21/271138521.db2.gz SBVDFSCDBOMGRX-CYBMUJFWSA-N 1 1 318.333 1.890 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)on1 ZINC000341609218 271138525 /nfs/dbraw/zinc/13/85/25/271138525.db2.gz SBVDFSCDBOMGRX-CYBMUJFWSA-N 1 1 318.333 1.890 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CC[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000343790710 271872159 /nfs/dbraw/zinc/87/21/59/271872159.db2.gz WKKANZHQXWNJDP-UHFFFAOYSA-N 1 1 303.322 1.227 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](C2CCC2)C1 ZINC000344730678 272102591 /nfs/dbraw/zinc/10/25/91/272102591.db2.gz PHXNXZCKVRYQAQ-LLVKDONJSA-N 1 1 306.366 1.869 20 5 DDBDMO CC(C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345629825 272293739 /nfs/dbraw/zinc/29/37/39/272293739.db2.gz FAVVDZLPVSCSAW-NSHDSACASA-N 1 1 307.354 1.001 20 5 DDBDMO CC(C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345629825 272293740 /nfs/dbraw/zinc/29/37/40/272293740.db2.gz FAVVDZLPVSCSAW-NSHDSACASA-N 1 1 307.354 1.001 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000345924844 272366474 /nfs/dbraw/zinc/36/64/74/272366474.db2.gz SAIMDUFOGUAZRS-MNOVXSKESA-N 1 1 306.366 1.853 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000345962907 272376969 /nfs/dbraw/zinc/37/69/69/272376969.db2.gz PTDVYNBGDNIVOT-QWRGUYRKSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264892474 276070863 /nfs/dbraw/zinc/07/08/63/276070863.db2.gz KAAZGGWJJHKLIY-UHFFFAOYSA-N 1 1 320.393 1.877 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H]1CCC[N@H+]1C ZINC000420993406 279236216 /nfs/dbraw/zinc/23/62/16/279236216.db2.gz ATBYJVMNQOVPLL-IUODEOHRSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449122703 298618608 /nfs/dbraw/zinc/61/86/08/298618608.db2.gz MKUYDOOLXQNXFS-LSDHHAIUSA-N 1 1 320.437 1.751 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362579771 300101434 /nfs/dbraw/zinc/10/14/34/300101434.db2.gz XRVFWAOSSOQKTB-GDBMZVCRSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362579771 300101435 /nfs/dbraw/zinc/10/14/35/300101435.db2.gz XRVFWAOSSOQKTB-GDBMZVCRSA-N 1 1 322.361 1.445 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000364452439 300399086 /nfs/dbraw/zinc/39/90/86/300399086.db2.gz FFKIFNHVHFXAQD-NSHDSACASA-N 1 1 318.377 1.924 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1C(F)F ZINC000367288421 300822588 /nfs/dbraw/zinc/82/25/88/300822588.db2.gz XEYYPJGDGITHAP-JTQLQIEISA-N 1 1 319.695 1.927 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368007800 300932133 /nfs/dbraw/zinc/93/21/33/300932133.db2.gz RKVPVNNLSWOUKY-NSHDSACASA-N 1 1 315.276 1.039 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368595211 301061178 /nfs/dbraw/zinc/06/11/78/301061178.db2.gz SIERBSLNASWEIP-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369546953 301196551 /nfs/dbraw/zinc/19/65/51/301196551.db2.gz RCXPJEHGLQOKPW-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000377276722 302163618 /nfs/dbraw/zinc/16/36/18/302163618.db2.gz IIFYLFLEPSKFCN-UHFFFAOYSA-N 1 1 310.354 1.063 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377481814 302184062 /nfs/dbraw/zinc/18/40/62/302184062.db2.gz OPIPQXOXQITNGV-HUUCEWRRSA-N 1 1 319.361 1.117 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377656188 302205733 /nfs/dbraw/zinc/20/57/33/302205733.db2.gz RCVKYVSHQWBVNC-ZYHUDNBSSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377656188 302205735 /nfs/dbraw/zinc/20/57/35/302205735.db2.gz RCVKYVSHQWBVNC-ZYHUDNBSSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530304851 303191876 /nfs/dbraw/zinc/19/18/76/303191876.db2.gz DPWIDDIAMPDGAS-UHFFFAOYSA-N 1 1 319.317 1.315 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530304851 303191878 /nfs/dbraw/zinc/19/18/78/303191878.db2.gz DPWIDDIAMPDGAS-UHFFFAOYSA-N 1 1 319.317 1.315 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804459 303257769 /nfs/dbraw/zinc/25/77/69/303257769.db2.gz ZPGCKLGGYGKRCB-XHDPSFHLSA-N 1 1 318.377 1.877 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000532134479 303276223 /nfs/dbraw/zinc/27/62/23/303276223.db2.gz ZCMFMQXNBZBRBK-RYUDHWBXSA-N 1 1 306.366 1.983 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000533230221 303314338 /nfs/dbraw/zinc/31/43/38/303314338.db2.gz YNSCCJALPQTSGY-JTQLQIEISA-N 1 1 309.370 1.513 20 5 DDBDMO CN1CCC[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712079 303389889 /nfs/dbraw/zinc/38/98/89/303389889.db2.gz PLRAFLFAFQYICM-DGCLKSJQSA-N 1 1 319.365 1.097 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365115560 307059119 /nfs/dbraw/zinc/05/91/19/307059119.db2.gz ZTSFIBGLJOAREM-MEDUHNTESA-N 1 1 319.361 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365115560 307059120 /nfs/dbraw/zinc/05/91/20/307059120.db2.gz ZTSFIBGLJOAREM-MEDUHNTESA-N 1 1 319.361 1.769 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000366652337 307078786 /nfs/dbraw/zinc/07/87/86/307078786.db2.gz KMPDFEYWEMVKTL-GXTWGEPZSA-N 1 1 317.349 1.626 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367075220 307084752 /nfs/dbraw/zinc/08/47/52/307084752.db2.gz SZKFUXDBSCDRJF-HNNXBMFYSA-N 1 1 307.350 1.259 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000371664637 307155744 /nfs/dbraw/zinc/15/57/44/307155744.db2.gz WJSVTCAFOVYNQP-CHWSQXEVSA-N 1 1 309.391 1.494 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000371892911 307159658 /nfs/dbraw/zinc/15/96/58/307159658.db2.gz BOZOJJHHZZXAGI-OLZOCXBDSA-N 1 1 307.354 1.440 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000376758803 307256028 /nfs/dbraw/zinc/25/60/28/307256028.db2.gz RDCMYEFBKLYAIQ-HNNXBMFYSA-N 1 1 321.377 1.316 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000376758803 307256029 /nfs/dbraw/zinc/25/60/29/307256029.db2.gz RDCMYEFBKLYAIQ-HNNXBMFYSA-N 1 1 321.377 1.316 20 5 DDBDMO [NH3+][C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424335872 307301345 /nfs/dbraw/zinc/30/13/45/307301345.db2.gz POXFOIJGKXSTIL-ZIAGYGMSSA-N 1 1 306.366 1.783 20 5 DDBDMO N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000424335872 307301346 /nfs/dbraw/zinc/30/13/46/307301346.db2.gz POXFOIJGKXSTIL-ZIAGYGMSSA-N 1 1 306.366 1.783 20 5 DDBDMO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000382486480 325745674 /nfs/dbraw/zinc/74/56/74/325745674.db2.gz GTGOHOPRRAUTAQ-DTWKUNHWSA-N 1 1 317.342 1.140 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000584308593 332236402 /nfs/dbraw/zinc/23/64/02/332236402.db2.gz OXUGFTWVLFOXSY-MNOVXSKESA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000584308593 332236403 /nfs/dbraw/zinc/23/64/03/332236403.db2.gz OXUGFTWVLFOXSY-MNOVXSKESA-N 1 1 322.365 1.614 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000582706658 337127054 /nfs/dbraw/zinc/12/70/54/337127054.db2.gz QUAGSZNPGUAKCI-TVQRCGJNSA-N 1 1 315.333 1.295 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)C(F)(F)F)nc2c1 ZINC000563003300 484331427 /nfs/dbraw/zinc/33/14/27/484331427.db2.gz QLQZBMUZSRWCRY-VIFPVBQESA-N 1 1 304.228 1.484 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292587739 534481641 /nfs/dbraw/zinc/48/16/41/534481641.db2.gz CSOCDEPWPDQTHH-CQSZACIVSA-N 1 1 319.361 1.573 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000157291218 527312187 /nfs/dbraw/zinc/31/21/87/527312187.db2.gz RWEKLBAYMSAYKS-DOMZBBRYSA-N 1 1 318.377 1.855 20 5 DDBDMO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000736859242 599119678 /nfs/dbraw/zinc/11/96/78/599119678.db2.gz XVELZNCXMDJXKQ-LLVKDONJSA-N 1 1 317.353 1.305 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820717103 606713721 /nfs/dbraw/zinc/71/37/21/606713721.db2.gz NWDGKZDQGZWYJG-VIFPVBQESA-N 1 1 318.341 1.066 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824860763 608196965 /nfs/dbraw/zinc/19/69/65/608196965.db2.gz XSOQJIDPFURYPR-VHSXEESVSA-N 1 1 317.353 1.304 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000102481180 696610776 /nfs/dbraw/zinc/61/07/76/696610776.db2.gz URTAIDKUQYNRJR-UHFFFAOYSA-N 1 1 324.337 1.963 20 5 DDBDMO CCC[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000159791557 697312341 /nfs/dbraw/zinc/31/23/41/697312341.db2.gz NZUSGTMLNJSVBV-ZDUSSCGKSA-N 1 1 311.386 1.182 20 5 DDBDMO Cc1nocc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431710 697510150 /nfs/dbraw/zinc/51/01/50/697510150.db2.gz SGJWIIJBAYPTAU-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1nocc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431710 697510152 /nfs/dbraw/zinc/51/01/52/697510152.db2.gz SGJWIIJBAYPTAU-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1nocc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431710 697510153 /nfs/dbraw/zinc/51/01/53/697510153.db2.gz SGJWIIJBAYPTAU-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000776593480 698124135 /nfs/dbraw/zinc/12/41/35/698124135.db2.gz JVTARQUHJAORIA-HOTGVXAUSA-N 1 1 321.377 1.035 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854193 698143905 /nfs/dbraw/zinc/14/39/05/698143905.db2.gz PZKWPPHBZIBTOB-RISCZKNCSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854193 698143910 /nfs/dbraw/zinc/14/39/10/698143910.db2.gz PZKWPPHBZIBTOB-RISCZKNCSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334031 699378038 /nfs/dbraw/zinc/37/80/38/699378038.db2.gz FUTRFFVAIWCMTP-BBRMVZONSA-N 1 1 323.393 1.281 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000741720101 699849093 /nfs/dbraw/zinc/84/90/93/699849093.db2.gz DZIJVNBNCURBSR-GXSJLCMTSA-N 1 1 322.321 1.716 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000742058397 699858839 /nfs/dbraw/zinc/85/88/39/699858839.db2.gz BDMDYHXZBOONGU-QWHCGFSZSA-N 1 1 319.361 1.496 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742197009 699865923 /nfs/dbraw/zinc/86/59/23/699865923.db2.gz OQHUUQRUAQDOAE-JTQLQIEISA-N 1 1 321.333 1.158 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000742197009 699865925 /nfs/dbraw/zinc/86/59/25/699865925.db2.gz OQHUUQRUAQDOAE-JTQLQIEISA-N 1 1 321.333 1.158 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000742199005 699866367 /nfs/dbraw/zinc/86/63/67/699866367.db2.gz OUKGRLZEOLHKIL-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000742199005 699866370 /nfs/dbraw/zinc/86/63/70/699866370.db2.gz OUKGRLZEOLHKIL-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCCCCn2cc[nH+]c2C)n1 ZINC000755573509 700571584 /nfs/dbraw/zinc/57/15/84/700571584.db2.gz NKEVQJRDOMEENT-UHFFFAOYSA-N 1 1 321.337 1.953 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](c3nccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000755790996 700584566 /nfs/dbraw/zinc/58/45/66/700584566.db2.gz URMFEBXEPAADFZ-LBPRGKRZSA-N 1 1 304.354 1.589 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000755790996 700584568 /nfs/dbraw/zinc/58/45/68/700584568.db2.gz URMFEBXEPAADFZ-LBPRGKRZSA-N 1 1 304.354 1.589 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076319 700840360 /nfs/dbraw/zinc/84/03/60/700840360.db2.gz NRRLOSOLCXRHFT-DGCLKSJQSA-N 1 1 320.393 1.866 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000879133289 706595869 /nfs/dbraw/zinc/59/58/69/706595869.db2.gz CVQMMJVAEOFLSY-PEYYIBSZSA-N 1 1 322.361 1.759 20 5 DDBDMO Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000809970535 701707709 /nfs/dbraw/zinc/70/77/09/701707709.db2.gz CBKZUOAUHXFUFF-CQSZACIVSA-N 1 1 305.378 1.721 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636458 701761405 /nfs/dbraw/zinc/76/14/05/701761405.db2.gz SJTBTCKHEMACLK-OCCSQVGLSA-N 1 1 307.350 1.038 20 5 DDBDMO O=C1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCCCCCN1 ZINC000879254424 706630104 /nfs/dbraw/zinc/63/01/04/706630104.db2.gz ZZXUQMGHMUTAEC-UHFFFAOYSA-N 1 1 309.370 1.174 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000840133829 701989480 /nfs/dbraw/zinc/98/94/80/701989480.db2.gz UHRIWYQOIAGHOC-DOMZBBRYSA-N 1 1 301.350 1.538 20 5 DDBDMO COC(=O)[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840357418 702082246 /nfs/dbraw/zinc/08/22/46/702082246.db2.gz DSRUGQIBLKGFCK-SNVBAGLBSA-N 1 1 311.313 1.275 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831175543 706650624 /nfs/dbraw/zinc/65/06/24/706650624.db2.gz LMYQXBGVAGAOLT-DGCLKSJQSA-N 1 1 302.277 1.330 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000812876675 702256726 /nfs/dbraw/zinc/25/67/26/702256726.db2.gz OGRVMWVDKNDWRN-LSDHHAIUSA-N 1 1 302.334 1.772 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000842829380 702781113 /nfs/dbraw/zinc/78/11/13/702781113.db2.gz HNSAFYVJSPCOQQ-LLVKDONJSA-N 1 1 310.354 1.606 20 5 DDBDMO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000843992219 702950288 /nfs/dbraw/zinc/95/02/88/702950288.db2.gz BEAPHMVULYXMGV-LBPRGKRZSA-N 1 1 306.366 1.733 20 5 DDBDMO CO[C@H](C)C[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485941 703556085 /nfs/dbraw/zinc/55/60/85/703556085.db2.gz BEDOXGMMEVRBFL-IUODEOHRSA-N 1 1 321.377 1.835 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485941 703556086 /nfs/dbraw/zinc/55/60/86/703556086.db2.gz BEDOXGMMEVRBFL-IUODEOHRSA-N 1 1 321.377 1.835 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000819039576 704056575 /nfs/dbraw/zinc/05/65/75/704056575.db2.gz RWDVJMDVCPPHRG-ZBFHGGJFSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000819039576 704056580 /nfs/dbraw/zinc/05/65/80/704056580.db2.gz RWDVJMDVCPPHRG-ZBFHGGJFSA-N 1 1 305.378 1.702 20 5 DDBDMO CCn1nc(C)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819378919 704116683 /nfs/dbraw/zinc/11/66/83/704116683.db2.gz ABLFCZIJOUOKML-CQSZACIVSA-N 1 1 305.338 1.338 20 5 DDBDMO CCOC1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870948057 704178883 /nfs/dbraw/zinc/17/88/83/704178883.db2.gz CGJGGBHMXBWDIG-MRXNPFEDSA-N 1 1 321.377 1.796 20 5 DDBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576540 704273974 /nfs/dbraw/zinc/27/39/74/704273974.db2.gz PKHWYIUOQXZAQB-GHMZBOCLSA-N 1 1 316.317 1.711 20 5 DDBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576540 704273975 /nfs/dbraw/zinc/27/39/75/704273975.db2.gz PKHWYIUOQXZAQB-GHMZBOCLSA-N 1 1 316.317 1.711 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587165 704276877 /nfs/dbraw/zinc/27/68/77/704276877.db2.gz FZHUKHOJHPWXHH-RYUDHWBXSA-N 1 1 317.349 1.574 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCOCC3)CC2)n1 ZINC000858633309 704737849 /nfs/dbraw/zinc/73/78/49/704737849.db2.gz ZDWCQHYYCPJFAG-UHFFFAOYSA-N 1 1 306.366 1.599 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834295 705192342 /nfs/dbraw/zinc/19/23/42/705192342.db2.gz QWBCFIGOYMITMK-UONOGXRCSA-N 1 1 304.350 1.486 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842035 705196604 /nfs/dbraw/zinc/19/66/04/705196604.db2.gz ZNFYMKGSWSYDER-GHMZBOCLSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842035 705196606 /nfs/dbraw/zinc/19/66/06/705196606.db2.gz ZNFYMKGSWSYDER-GHMZBOCLSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842035 705196610 /nfs/dbraw/zinc/19/66/10/705196610.db2.gz ZNFYMKGSWSYDER-GHMZBOCLSA-N 1 1 307.354 1.189 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000823975091 705348219 /nfs/dbraw/zinc/34/82/19/705348219.db2.gz ZTUHSIBGFWBXCX-SNVBAGLBSA-N 1 1 307.354 1.735 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352435 705441291 /nfs/dbraw/zinc/44/12/91/705441291.db2.gz JDISQSIEPGTBPT-BXUZGUMPSA-N 1 1 302.371 1.474 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000893877379 710871004 /nfs/dbraw/zinc/87/10/04/710871004.db2.gz VWLHGKYBDLIYBU-OKILXGFUSA-N 1 1 318.377 1.340 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000861387312 705453731 /nfs/dbraw/zinc/45/37/31/705453731.db2.gz HJNMABJXSFFWCZ-UHFFFAOYSA-N 1 1 317.305 1.038 20 5 DDBDMO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000825844528 705736149 /nfs/dbraw/zinc/73/61/49/705736149.db2.gz MCYCXIWNSHGNLL-CABCVRRESA-N 1 1 319.361 1.323 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000862793314 705799799 /nfs/dbraw/zinc/79/97/99/705799799.db2.gz MONQSOJZCPMAPL-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827331138 705977606 /nfs/dbraw/zinc/97/76/06/705977606.db2.gz WSHUUTLNZSDACW-GXFFZTMASA-N 1 1 307.325 1.900 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366714 705986475 /nfs/dbraw/zinc/98/64/75/705986475.db2.gz OHOYIEYVMKANON-TZMCWYRMSA-N 1 1 318.377 1.803 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608178 706158221 /nfs/dbraw/zinc/15/82/21/706158221.db2.gz ODRSQNPIKDUHAW-CHWSQXEVSA-N 1 1 322.361 1.567 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832845619 706996013 /nfs/dbraw/zinc/99/60/13/706996013.db2.gz PCUXPUDCXYGGFE-WFASDCNBSA-N 1 1 323.393 1.865 20 5 DDBDMO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880587590 707029018 /nfs/dbraw/zinc/02/90/18/707029018.db2.gz HXMJFPZWTZJSBX-ZDUSSCGKSA-N 1 1 309.366 1.805 20 5 DDBDMO CCO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN(C)C ZINC000926964187 712923266 /nfs/dbraw/zinc/92/32/66/712923266.db2.gz WKIYALGJDGAGJN-YPMHNXCESA-N 1 1 310.398 1.794 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000837445771 707650088 /nfs/dbraw/zinc/65/00/88/707650088.db2.gz GHHMUSAUABOYMT-LBPRGKRZSA-N 1 1 310.354 1.597 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)C[C@H]3CCCO3)c2c1 ZINC000884614248 708339183 /nfs/dbraw/zinc/33/91/83/708339183.db2.gz IITSMZHKAPYOBM-WCQYABFASA-N 1 1 317.345 1.907 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000886020472 708682640 /nfs/dbraw/zinc/68/26/40/708682640.db2.gz AHORHOSPSFISKR-CQSZACIVSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000886020472 708682641 /nfs/dbraw/zinc/68/26/41/708682641.db2.gz AHORHOSPSFISKR-CQSZACIVSA-N 1 1 306.366 1.286 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000886593528 708785751 /nfs/dbraw/zinc/78/57/51/708785751.db2.gz SPGWJKXLOOJURP-CYBMUJFWSA-N 1 1 323.397 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886813631 708851015 /nfs/dbraw/zinc/85/10/15/708851015.db2.gz QREWFXOKTHSEIB-NSHDSACASA-N 1 1 322.287 1.346 20 5 DDBDMO C[N@H+](CCc1ccc2c(c1)OCO2)CCn1cc([N+](=O)[O-])cn1 ZINC000887095361 708953990 /nfs/dbraw/zinc/95/39/90/708953990.db2.gz JGKPMDJHMBMKSU-UHFFFAOYSA-N 1 1 318.333 1.695 20 5 DDBDMO Cc1sc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887936737 709172343 /nfs/dbraw/zinc/17/23/43/709172343.db2.gz VTTZXKGUIDPKKJ-YGRLFVJLSA-N 1 1 309.391 1.988 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC(C)(C)C2)n1 ZINC000890072220 709733513 /nfs/dbraw/zinc/73/35/13/709733513.db2.gz KCAOGCOIUVXVHD-UHFFFAOYSA-N 1 1 309.370 1.273 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910279573 709861496 /nfs/dbraw/zinc/86/14/96/709861496.db2.gz BPCCTTVZPLDKQV-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910279573 709861499 /nfs/dbraw/zinc/86/14/99/709861499.db2.gz BPCCTTVZPLDKQV-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910279573 709861504 /nfs/dbraw/zinc/86/15/04/709861504.db2.gz BPCCTTVZPLDKQV-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000928440065 713196954 /nfs/dbraw/zinc/19/69/54/713196954.db2.gz AMGROLIEJPFZIE-ZANVPECISA-N 1 1 311.769 2.000 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000894590743 711198402 /nfs/dbraw/zinc/19/84/02/711198402.db2.gz HAVDIDOTLJEKSY-UHFFFAOYSA-N 1 1 321.299 1.974 20 5 DDBDMO CC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246145 711463928 /nfs/dbraw/zinc/46/39/28/711463928.db2.gz LVWVGFMQPQAHIM-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246145 711463929 /nfs/dbraw/zinc/46/39/29/711463929.db2.gz LVWVGFMQPQAHIM-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000895703737 711582592 /nfs/dbraw/zinc/58/25/92/711582592.db2.gz ONLYQPWFAWEBAX-RCLKMUNOSA-N 1 1 320.345 1.608 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568495 711754730 /nfs/dbraw/zinc/75/47/30/711754730.db2.gz NLSJDHOVGYFGJI-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO CCO[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000905581903 712085603 /nfs/dbraw/zinc/08/56/03/712085603.db2.gz ZPCMKYYWNGWQMR-LSDHHAIUSA-N 1 1 311.382 1.185 20 5 DDBDMO CCC[N@H+]1CCC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000907066050 712478750 /nfs/dbraw/zinc/47/87/50/712478750.db2.gz SVJUWFDOOKEETD-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@H]1CCC[N@H+](CC[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000929778920 713688695 /nfs/dbraw/zinc/68/86/95/713688695.db2.gz KSNRRSVNOIAULF-NWDGAFQWSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000929778920 713688696 /nfs/dbraw/zinc/68/86/96/713688696.db2.gz KSNRRSVNOIAULF-NWDGAFQWSA-N 1 1 301.387 1.888 20 5 DDBDMO O=[N+]([O-])CC[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000930696878 713898581 /nfs/dbraw/zinc/89/85/81/713898581.db2.gz UYLFKGJWTDKPBS-CQSZACIVSA-N 1 1 300.305 1.987 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627343 714142070 /nfs/dbraw/zinc/14/20/70/714142070.db2.gz NVLMIROGUDLLCA-HUUCEWRRSA-N 1 1 321.377 1.393 20 5 DDBDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016809 714235915 /nfs/dbraw/zinc/23/59/15/714235915.db2.gz PLDAUXNTJOCUFG-WFASDCNBSA-N 1 1 320.349 1.700 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000923311944 714307623 /nfs/dbraw/zinc/30/76/23/714307623.db2.gz CHSSYZCQOOIWAV-GXTWGEPZSA-N 1 1 319.361 1.669 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370496 714331186 /nfs/dbraw/zinc/33/11/86/714331186.db2.gz PHLSTBNHCOKJCQ-NCZKRNLISA-N 1 1 323.393 1.311 20 5 DDBDMO CC(C)(CCc1noc([C@H]2C[N@H+]3CCC[C@H]3CO2)n1)[N+](=O)[O-] ZINC000924079310 714522230 /nfs/dbraw/zinc/52/22/30/714522230.db2.gz UPRLWAYAHFVBOW-WDEREUQCSA-N 1 1 310.354 1.593 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734332 714658367 /nfs/dbraw/zinc/65/83/67/714658367.db2.gz OATGXUPMTANCDT-XJKSGUPXSA-N 1 1 305.378 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260299 714778173 /nfs/dbraw/zinc/77/81/73/714778173.db2.gz WDBIAULKMYMJLT-JKSUJKDBSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2CC2CCOCC2)n1 ZINC000934640932 714868621 /nfs/dbraw/zinc/86/86/21/714868621.db2.gz JLJPLGBFLJGHSJ-CQSZACIVSA-N 1 1 324.381 1.309 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2CC2CCOCC2)n1 ZINC000934640932 714868623 /nfs/dbraw/zinc/86/86/23/714868623.db2.gz JLJPLGBFLJGHSJ-CQSZACIVSA-N 1 1 324.381 1.309 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000935219266 715006338 /nfs/dbraw/zinc/00/63/38/715006338.db2.gz CXGKESKHOMXLED-UHFFFAOYSA-N 1 1 321.381 1.187 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164637379 719160332 /nfs/dbraw/zinc/16/03/32/719160332.db2.gz OKGXOHOZYHVQBG-ZJUUUORDSA-N 1 1 308.338 1.305 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164638895 719217072 /nfs/dbraw/zinc/21/70/72/719217072.db2.gz PSXUZRQZNFFMPY-RKDXNWHRSA-N 1 1 300.746 1.410 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164638895 719217076 /nfs/dbraw/zinc/21/70/76/719217076.db2.gz PSXUZRQZNFFMPY-RKDXNWHRSA-N 1 1 300.746 1.410 20 5 DDBDMO Cc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922019 721849555 /nfs/dbraw/zinc/84/95/55/721849555.db2.gz PQLPXMCEHCNYNH-KBPBESRZSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922019 721849556 /nfs/dbraw/zinc/84/95/56/721849556.db2.gz PQLPXMCEHCNYNH-KBPBESRZSA-N 1 1 319.409 1.513 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC001167778648 738256491 /nfs/dbraw/zinc/25/64/91/738256491.db2.gz JZEUDNPHWHDTPD-LBPRGKRZSA-N 1 1 319.365 1.002 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C1CC1 ZINC001191487274 745520374 /nfs/dbraw/zinc/52/03/74/745520374.db2.gz YZKZTXMSSYBIAI-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)C1CC1 ZINC001191487274 745520377 /nfs/dbraw/zinc/52/03/77/745520377.db2.gz YZKZTXMSSYBIAI-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001198872669 747642242 /nfs/dbraw/zinc/64/22/42/747642242.db2.gz QYVFUANWQYDFHN-CQSZACIVSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785269 758362017 /nfs/dbraw/zinc/36/20/17/758362017.db2.gz ZZQIEMZNCHWRON-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO COCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048630699 769594198 /nfs/dbraw/zinc/59/41/98/769594198.db2.gz ORFVPSZKGGKHFI-OKILXGFUSA-N 1 1 319.361 1.131 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC001136342799 771942358 /nfs/dbraw/zinc/94/23/58/771942358.db2.gz DAPVWLKVVPPWIA-NSHDSACASA-N 1 1 304.350 1.512 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110158734 775951655 /nfs/dbraw/zinc/95/16/55/775951655.db2.gz OUAUMZYNCCGQGV-UHFFFAOYSA-N 1 1 321.381 1.391 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001173227586 777062718 /nfs/dbraw/zinc/06/27/18/777062718.db2.gz RCKIUXRDKGIMCO-PBHICJAKSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001173235933 777065129 /nfs/dbraw/zinc/06/51/29/777065129.db2.gz COELCGJQMNHIAM-FPMFFAJLSA-N 1 1 304.346 1.673 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001173235933 777065132 /nfs/dbraw/zinc/06/51/32/777065132.db2.gz COELCGJQMNHIAM-FPMFFAJLSA-N 1 1 304.346 1.673 20 5 DDBDMO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+](C)C1CCC1 ZINC001102017188 777798629 /nfs/dbraw/zinc/79/86/29/777798629.db2.gz JWMBVQJVAHOMRW-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001176886048 778294340 /nfs/dbraw/zinc/29/43/40/778294340.db2.gz FHGFJXPNTVLDOL-GFCCVEGCSA-N 1 1 319.369 1.108 20 5 DDBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150367 780477927 /nfs/dbraw/zinc/47/79/27/780477927.db2.gz NSIRQVHNMORPOP-KGYLQXTDSA-N 1 1 314.411 1.368 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001117797908 780901911 /nfs/dbraw/zinc/90/19/11/780901911.db2.gz MZAQQTIFSNKMQN-QKCSRTOESA-N 1 1 307.350 1.227 20 5 DDBDMO Nc1ccc[nH+]c1N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001154782038 861447478 /nfs/dbraw/zinc/44/74/78/861447478.db2.gz CJJGTPWRSHFPRO-UHFFFAOYSA-N 1 1 318.312 1.433 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001273359636 849662489 /nfs/dbraw/zinc/66/24/89/849662489.db2.gz KXDCVNZLQHSTJW-MFKMUULPSA-N 1 1 305.334 1.380 20 5 DDBDMO C[C@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000766026427 881352362 /nfs/dbraw/zinc/35/23/62/881352362.db2.gz HZRITMNALHDCGI-COLVAYQJSA-N 1 1 318.333 1.130 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975898 859506551 /nfs/dbraw/zinc/50/65/51/859506551.db2.gz GUSQVLAMRAVGBN-TYNCELHUSA-N 1 1 318.377 1.160 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747791 860927917 /nfs/dbraw/zinc/92/79/17/860927917.db2.gz IWQQCAPIFBBLQD-GHMZBOCLSA-N 1 1 306.322 1.052 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)C(C)C)C2)n1 ZINC001157022495 863522761 /nfs/dbraw/zinc/52/27/61/863522761.db2.gz YBOWPDKBMJIRFC-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157266084 863695575 /nfs/dbraw/zinc/69/55/75/863695575.db2.gz NQEOHOJJWFQXQE-MFKMUULPSA-N 1 1 320.349 1.307 20 5 DDBDMO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767290 864117984 /nfs/dbraw/zinc/11/79/84/864117984.db2.gz KVSNPBRBRFWHEU-ZIAGYGMSSA-N 1 1 309.341 1.395 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001160152396 865702922 /nfs/dbraw/zinc/70/29/22/865702922.db2.gz ASIIMWCMJMYALW-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001160152396 865702929 /nfs/dbraw/zinc/70/29/29/865702929.db2.gz ASIIMWCMJMYALW-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001160152396 865702936 /nfs/dbraw/zinc/70/29/36/865702936.db2.gz ASIIMWCMJMYALW-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320734744 866992575 /nfs/dbraw/zinc/99/25/75/866992575.db2.gz NBKPWNXAPMGWCX-UKRRQHHQSA-N 1 1 323.368 1.737 20 5 DDBDMO Nc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001333885848 867116523 /nfs/dbraw/zinc/11/65/23/867116523.db2.gz QWQFOYYBYDPHQN-LBPRGKRZSA-N 1 1 319.365 1.879 20 5 DDBDMO C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001336779624 869135564 /nfs/dbraw/zinc/13/55/64/869135564.db2.gz VQNCFAMUSVNLNR-GXTWGEPZSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CN(C)C ZINC001336779624 869135573 /nfs/dbraw/zinc/13/55/73/869135573.db2.gz VQNCFAMUSVNLNR-GXTWGEPZSA-N 1 1 311.382 1.122 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001164401247 869179665 /nfs/dbraw/zinc/17/96/65/869179665.db2.gz WSEYNHTZIAUDPS-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001297359018 870002516 /nfs/dbraw/zinc/00/25/16/870002516.db2.gz KPMWHRDDXGVVBJ-GXTWGEPZSA-N 1 1 322.340 1.435 20 5 DDBDMO Cc1c(CNC(=O)C[NH+]2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC001338965336 870266807 /nfs/dbraw/zinc/26/68/07/870266807.db2.gz YQCVPNUPUQUBTG-UHFFFAOYSA-N 1 1 321.377 1.224 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001339318228 870444461 /nfs/dbraw/zinc/44/44/61/870444461.db2.gz SPVRSVWKEFGSQB-JHJVBQTASA-N 1 1 319.361 1.673 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001308982661 871543971 /nfs/dbraw/zinc/54/39/71/871543971.db2.gz FVLIVSWWJKWIIW-UONOGXRCSA-N 1 1 308.378 1.634 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC001310448821 871633228 /nfs/dbraw/zinc/63/32/28/871633228.db2.gz ABZPQKGXYAFWGK-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO CCOC(=O)c1ccnc(NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001319339583 872588260 /nfs/dbraw/zinc/58/82/60/872588260.db2.gz YMJLLBBZIQUJPG-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3nc4ccc([N+](=O)[O-])cc4o3)[C@H]1CC(=O)C2 ZINC001227233720 882925145 /nfs/dbraw/zinc/92/51/45/882925145.db2.gz FPQSQWUODVJFJX-BHYNMZESSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nc4ccc([N+](=O)[O-])cc4o3)[C@H]1CC(=O)C2 ZINC001227233720 882925160 /nfs/dbraw/zinc/92/51/60/882925160.db2.gz FPQSQWUODVJFJX-BHYNMZESSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1CCO[C@H](COCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223487762 880982764 /nfs/dbraw/zinc/98/27/64/880982764.db2.gz JQKUYIVPBGUQLV-ZDUSSCGKSA-N 1 1 311.294 1.350 20 5 DDBDMO C[N@@H+]1CCO[C@H](COCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223487762 880982756 /nfs/dbraw/zinc/98/27/56/880982756.db2.gz JQKUYIVPBGUQLV-ZDUSSCGKSA-N 1 1 311.294 1.350 20 5 DDBDMO CC[NH+]1CCC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228604567 883567883 /nfs/dbraw/zinc/56/78/83/883567883.db2.gz UWWSZKCXIMQFEF-UHFFFAOYSA-N 1 1 308.338 1.831 20 5 DDBDMO COC(=O)c1cc(O[C@H]2CCc3[nH+]ccn3C2)cc([N+](=O)[O-])c1 ZINC001228772815 883663051 /nfs/dbraw/zinc/66/30/51/883663051.db2.gz ZMZZSOOQFQVXGD-LBPRGKRZSA-N 1 1 317.301 1.972 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@H+](C)CC2)cc1O ZINC001228811500 883682013 /nfs/dbraw/zinc/68/20/13/883682013.db2.gz QAHDCGCARYHPBJ-SNVBAGLBSA-N 1 1 324.333 1.950 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C)CC2)cc1O ZINC001228811500 883682018 /nfs/dbraw/zinc/68/20/18/883682018.db2.gz QAHDCGCARYHPBJ-SNVBAGLBSA-N 1 1 324.333 1.950 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879468 884999568 /nfs/dbraw/zinc/99/95/68/884999568.db2.gz OSORDPMYSBSNGC-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(Cl)cnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233714014 887245648 /nfs/dbraw/zinc/24/56/48/887245648.db2.gz YEGADFVFUXYTTI-GDPRMGEGSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(Cl)cnc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001233714014 887245674 /nfs/dbraw/zinc/24/56/74/887245674.db2.gz YEGADFVFUXYTTI-GDPRMGEGSA-N 1 1 311.725 1.826 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)n1 ZINC001234908167 888244582 /nfs/dbraw/zinc/24/45/82/888244582.db2.gz DHZBPFKPWQMDKB-NSHDSACASA-N 1 1 323.353 1.515 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(N3CC[C@H](F)C3)C1)C2 ZINC001254603503 896526661 /nfs/dbraw/zinc/52/66/61/896526661.db2.gz NVMOEQDMTCQGRQ-DZGCQCFKSA-N 1 1 305.353 1.790 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001262359576 900130803 /nfs/dbraw/zinc/13/08/03/900130803.db2.gz CUYOPGVTPKBBQU-NSHDSACASA-N 1 1 307.350 1.635 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001262359576 900130814 /nfs/dbraw/zinc/13/08/14/900130814.db2.gz CUYOPGVTPKBBQU-NSHDSACASA-N 1 1 307.350 1.635 20 5 DDBDMO Cc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cccc1[N+](=O)[O-] ZINC001263980535 900854251 /nfs/dbraw/zinc/85/42/51/900854251.db2.gz YCHIWWFHESJOCV-MRVWCRGKSA-N 1 1 303.362 1.973 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000248664418 282097533 /nfs/dbraw/zinc/09/75/33/282097533.db2.gz KYURIMWZMSHPGJ-GHMZBOCLSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857356 231075999 /nfs/dbraw/zinc/07/59/99/231075999.db2.gz KZGIXOGBDIVWGV-ZOWXZIJZSA-N 1 1 319.361 1.403 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451433788 231093433 /nfs/dbraw/zinc/09/34/33/231093433.db2.gz PGHHBMQSLSLVPN-ZDUSSCGKSA-N 1 1 302.277 1.805 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451433788 231093437 /nfs/dbraw/zinc/09/34/37/231093437.db2.gz PGHHBMQSLSLVPN-ZDUSSCGKSA-N 1 1 302.277 1.805 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000451637652 231147023 /nfs/dbraw/zinc/14/70/23/231147023.db2.gz YAQZZZUKLTVANR-DOMZBBRYSA-N 1 1 318.377 1.478 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249548871 282170406 /nfs/dbraw/zinc/17/04/06/282170406.db2.gz HDCBNFZNMDSCTB-ITDIGPHOSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249548871 282170410 /nfs/dbraw/zinc/17/04/10/282170410.db2.gz HDCBNFZNMDSCTB-ITDIGPHOSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253360 529485902 /nfs/dbraw/zinc/48/59/02/529485902.db2.gz JNZSTJUTPAXASJ-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452171779 231323411 /nfs/dbraw/zinc/32/34/11/231323411.db2.gz RZZGRKJRRNSSSN-NSHDSACASA-N 1 1 318.377 1.855 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347629 231355045 /nfs/dbraw/zinc/35/50/45/231355045.db2.gz JEQHZWIZBCMJOL-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452353502 231358202 /nfs/dbraw/zinc/35/82/02/231358202.db2.gz UPSHHOQMHJLESM-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614894446 362066427 /nfs/dbraw/zinc/06/64/27/362066427.db2.gz CYCCSNHQKNPKTQ-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614894446 362066429 /nfs/dbraw/zinc/06/64/29/362066429.db2.gz CYCCSNHQKNPKTQ-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000458176620 530054288 /nfs/dbraw/zinc/05/42/88/530054288.db2.gz UONDAZAHOVQLQT-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181730093 199344132 /nfs/dbraw/zinc/34/41/32/199344132.db2.gz NNXLKUZEMWOHGU-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000172461570 198100530 /nfs/dbraw/zinc/10/05/30/198100530.db2.gz WGMBSWDNGKEHGB-SNVBAGLBSA-N 1 1 313.379 1.354 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026342628 352208005 /nfs/dbraw/zinc/20/80/05/352208005.db2.gz ZMSLPPVIJASQBJ-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026342628 352208008 /nfs/dbraw/zinc/20/80/08/352208008.db2.gz ZMSLPPVIJASQBJ-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000041443489 352308270 /nfs/dbraw/zinc/30/82/70/352308270.db2.gz KBWHNLXSARMRHR-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3CO)n2)c1 ZINC000047496300 352498889 /nfs/dbraw/zinc/49/88/89/352498889.db2.gz CFZCWCOOOVJZPP-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CO)n2)c1 ZINC000047496300 352498890 /nfs/dbraw/zinc/49/88/90/352498890.db2.gz CFZCWCOOOVJZPP-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000074099412 353291550 /nfs/dbraw/zinc/29/15/50/353291550.db2.gz BXVXZPYAQLGVKQ-LBPRGKRZSA-N 1 1 320.393 1.919 20 5 DDBDMO CNc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000075578237 353368581 /nfs/dbraw/zinc/36/85/81/353368581.db2.gz CSAMOGBXVWTENF-JTQLQIEISA-N 1 1 306.366 1.849 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125915474 354048876 /nfs/dbraw/zinc/04/88/76/354048876.db2.gz GWKGJMSOBHQBBF-NSHDSACASA-N 1 1 318.337 1.138 20 5 DDBDMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154685973 354207745 /nfs/dbraw/zinc/20/77/45/354207745.db2.gz HTJOYPOEBNDORL-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154685973 354207750 /nfs/dbraw/zinc/20/77/50/354207750.db2.gz HTJOYPOEBNDORL-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000156795976 354221090 /nfs/dbraw/zinc/22/10/90/354221090.db2.gz UBEZHSDJULELLZ-SWLSCSKDSA-N 1 1 321.377 1.363 20 5 DDBDMO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156795976 354221094 /nfs/dbraw/zinc/22/10/94/354221094.db2.gz UBEZHSDJULELLZ-SWLSCSKDSA-N 1 1 321.377 1.363 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H](O)C1CC1 ZINC000305233212 354469835 /nfs/dbraw/zinc/46/98/35/354469835.db2.gz MQDMZYPZIPOCBJ-HNNXBMFYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305729963 354471266 /nfs/dbraw/zinc/47/12/66/354471266.db2.gz KFAPPIXVFAAEFK-YGRLFVJLSA-N 1 1 307.350 1.625 20 5 DDBDMO CN1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000584787603 354769649 /nfs/dbraw/zinc/76/96/49/354769649.db2.gz GCSDLYHWRCYLRO-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706848 354831122 /nfs/dbraw/zinc/83/11/22/354831122.db2.gz SKBFFHFHMQBQGB-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000585706848 354831126 /nfs/dbraw/zinc/83/11/26/354831126.db2.gz SKBFFHFHMQBQGB-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO Cc1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n(C)n1 ZINC000585743341 354835900 /nfs/dbraw/zinc/83/59/00/354835900.db2.gz KHHGFSXVRPVQJF-UHFFFAOYSA-N 1 1 318.333 1.698 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574572 355002240 /nfs/dbraw/zinc/00/22/40/355002240.db2.gz BNBTUNTVSHIXCL-GHMZBOCLSA-N 1 1 319.365 1.152 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000589516693 354998688 /nfs/dbraw/zinc/99/86/88/354998688.db2.gz QNSBSSZFGJAEBA-BETUJISGSA-N 1 1 308.334 1.991 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000589516693 354998692 /nfs/dbraw/zinc/99/86/92/354998692.db2.gz QNSBSSZFGJAEBA-BETUJISGSA-N 1 1 308.334 1.991 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000287449645 219531633 /nfs/dbraw/zinc/53/16/33/219531633.db2.gz VPIHIZZALMAQPN-LBPRGKRZSA-N 1 1 309.341 1.892 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402432 355085723 /nfs/dbraw/zinc/08/57/23/355085723.db2.gz UDGVNVRIDJSCJA-HUUCEWRRSA-N 1 1 319.361 1.530 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000590442946 355097263 /nfs/dbraw/zinc/09/72/63/355097263.db2.gz IGLRAPYLOKYOIF-HZMBPMFUSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000591011449 355231744 /nfs/dbraw/zinc/23/17/44/355231744.db2.gz UYQRKNWOBLISKE-LBPRGKRZSA-N 1 1 320.349 1.052 20 5 DDBDMO CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592247155 355546831 /nfs/dbraw/zinc/54/68/31/355546831.db2.gz SJQGRYPDKDTFAQ-NSHDSACASA-N 1 1 307.354 1.360 20 5 DDBDMO CCOc1ccc(C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000346543733 283119037 /nfs/dbraw/zinc/11/90/37/283119037.db2.gz CFIGZQVDMUTUTJ-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593165858 355815720 /nfs/dbraw/zinc/81/57/20/355815720.db2.gz WTWAQKDXYUUNKS-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195394 356136191 /nfs/dbraw/zinc/13/61/91/356136191.db2.gz GKRZYTBDVXILAL-OCCSQVGLSA-N 1 1 304.350 1.737 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418785 356203800 /nfs/dbraw/zinc/20/38/00/356203800.db2.gz LAWMUTVBSARCJC-RYUDHWBXSA-N 1 1 320.349 1.442 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594419169 356204587 /nfs/dbraw/zinc/20/45/87/356204587.db2.gz OJMRLSQAHZWMIK-CHWSQXEVSA-N 1 1 318.377 1.924 20 5 DDBDMO CC(C)(C)n1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594918534 356354423 /nfs/dbraw/zinc/35/44/23/356354423.db2.gz BONUTOCZMHTHBY-UHFFFAOYSA-N 1 1 304.354 1.669 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(=O)NCC(F)F ZINC000595054370 356377380 /nfs/dbraw/zinc/37/73/80/356377380.db2.gz MGRYNMQBXDSHEG-MRVPVSSYSA-N 1 1 317.292 1.635 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccn1 ZINC000595097696 356381858 /nfs/dbraw/zinc/38/18/58/356381858.db2.gz CMJRSFRZLCTYCY-LLVKDONJSA-N 1 1 315.333 1.892 20 5 DDBDMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nnc2n1CCCCC2 ZINC000595433327 356490617 /nfs/dbraw/zinc/49/06/17/356490617.db2.gz MGKMLVGVWHXDAP-LLVKDONJSA-N 1 1 319.369 1.460 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000618210177 363513051 /nfs/dbraw/zinc/51/30/51/363513051.db2.gz SGKBATBAXXJYOA-GFCCVEGCSA-N 1 1 319.361 1.818 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595745441 356632079 /nfs/dbraw/zinc/63/20/79/356632079.db2.gz TYLNYHFXEJEEMN-MSRIBSCDSA-N 1 1 307.350 1.142 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780370 356649977 /nfs/dbraw/zinc/64/99/77/356649977.db2.gz JMBAMDRQYWRXEN-RDBSUJKOSA-N 1 1 324.377 1.834 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836994 356672685 /nfs/dbraw/zinc/67/26/85/356672685.db2.gz ZQIPEGFZQVMEAB-BFHYXJOUSA-N 1 1 322.361 1.303 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242837 356829736 /nfs/dbraw/zinc/82/97/36/356829736.db2.gz ARNHOWRHHKRLGP-INIZCTEOSA-N 1 1 318.377 1.616 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596134001 356785508 /nfs/dbraw/zinc/78/55/08/356785508.db2.gz BSUIZJBFIPJYAB-CQSZACIVSA-N 1 1 306.366 1.470 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CCCOCC3)CC2)c(F)c1 ZINC000596268438 356839020 /nfs/dbraw/zinc/83/90/20/356839020.db2.gz KKTZFWVCPFXQDL-UHFFFAOYSA-N 1 1 324.356 1.820 20 5 DDBDMO CCC[N@H+]1CC[C@@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517345 356903112 /nfs/dbraw/zinc/90/31/12/356903112.db2.gz NQNOLCCVRDPQSX-LLVKDONJSA-N 1 1 308.338 1.673 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597925376 357384972 /nfs/dbraw/zinc/38/49/72/357384972.db2.gz NXYYDEWXWOKXEJ-LBPRGKRZSA-N 1 1 321.377 1.963 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000597920398 357381381 /nfs/dbraw/zinc/38/13/81/357381381.db2.gz BEPWIOJUEBWBCR-NSHDSACASA-N 1 1 323.397 1.515 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000598342081 357543794 /nfs/dbraw/zinc/54/37/94/357543794.db2.gz DKUPRFKMUXLSFR-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000598465686 357593352 /nfs/dbraw/zinc/59/33/52/357593352.db2.gz IHONGSGCKPZZRE-UHFFFAOYSA-N 1 1 311.386 1.487 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH+]3CCOCC3)CC2)n1 ZINC000599106527 357817600 /nfs/dbraw/zinc/81/76/00/357817600.db2.gz UJGXFYSQQQNAOH-UHFFFAOYSA-N 1 1 320.393 1.908 20 5 DDBDMO C[NH+](C)Cc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179272033 199008016 /nfs/dbraw/zinc/00/80/16/199008016.db2.gz NWJGSVZAYKQJOT-UHFFFAOYSA-N 1 1 303.322 1.310 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000599564202 357974702 /nfs/dbraw/zinc/97/47/02/357974702.db2.gz QKSDMZUNEGBPCA-OAHLLOKOSA-N 1 1 324.333 1.238 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599694162 358028803 /nfs/dbraw/zinc/02/88/03/358028803.db2.gz DVTVBAUDVMXYLP-GFCCVEGCSA-N 1 1 308.338 1.091 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766051 358052978 /nfs/dbraw/zinc/05/29/78/358052978.db2.gz IJLOXWIFIPVZJX-LBPRGKRZSA-N 1 1 319.365 1.550 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600311726 358192242 /nfs/dbraw/zinc/19/22/42/358192242.db2.gz QRPZFZFSNXHGLP-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[N@@H+](CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000600819485 358325031 /nfs/dbraw/zinc/32/50/31/358325031.db2.gz HBMXNGVBRWKOKC-UHFFFAOYSA-N 1 1 303.322 1.894 20 5 DDBDMO Cc1nc2n(n1)C[C@@H](Nc1cc[nH+]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000601110253 358405596 /nfs/dbraw/zinc/40/55/96/358405596.db2.gz AXWDVMMAEJGCLJ-NSHDSACASA-N 1 1 324.344 1.892 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3(O)CCOCC3)c2c1 ZINC000601114520 358407357 /nfs/dbraw/zinc/40/73/57/358407357.db2.gz QHBUJNFRRKOFNZ-UHFFFAOYSA-N 1 1 303.318 1.518 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCCS(=O)(=O)CC3)c2c1 ZINC000601117930 358409396 /nfs/dbraw/zinc/40/93/96/358409396.db2.gz APTXPLRQXAXOIG-UHFFFAOYSA-N 1 1 321.358 1.768 20 5 DDBDMO COC[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601118243 358410388 /nfs/dbraw/zinc/41/03/88/358410388.db2.gz AXRNDMRJLXDSHX-GFCCVEGCSA-N 1 1 303.318 1.995 20 5 DDBDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602661863 359108142 /nfs/dbraw/zinc/10/81/42/359108142.db2.gz HHVJIYNZHVDLKE-UHFFFAOYSA-N 1 1 320.397 1.999 20 5 DDBDMO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839128 359229251 /nfs/dbraw/zinc/22/92/51/359229251.db2.gz HIYUBLTVPDNQLB-KBPBESRZSA-N 1 1 302.334 1.636 20 5 DDBDMO Cn1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839128 359229255 /nfs/dbraw/zinc/22/92/55/359229255.db2.gz HIYUBLTVPDNQLB-KBPBESRZSA-N 1 1 302.334 1.636 20 5 DDBDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602857947 359244077 /nfs/dbraw/zinc/24/40/77/359244077.db2.gz YXCJRAABFLCGPE-DMDPSCGWSA-N 1 1 324.381 1.880 20 5 DDBDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602857947 359244081 /nfs/dbraw/zinc/24/40/81/359244081.db2.gz YXCJRAABFLCGPE-DMDPSCGWSA-N 1 1 324.381 1.880 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000602829157 359220891 /nfs/dbraw/zinc/22/08/91/359220891.db2.gz QCJWTOODIWIUTP-ZDUSSCGKSA-N 1 1 321.381 1.044 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000187407000 200107952 /nfs/dbraw/zinc/10/79/52/200107952.db2.gz XTYFDAKTVMXVLA-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000188424279 200244100 /nfs/dbraw/zinc/24/41/00/200244100.db2.gz YZWUJQAUIWEGFR-UHFFFAOYSA-N 1 1 308.338 1.300 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000609450143 360307857 /nfs/dbraw/zinc/30/78/57/360307857.db2.gz CFZMONVWBKBZTI-LLVKDONJSA-N 1 1 307.350 1.308 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000609450143 360307859 /nfs/dbraw/zinc/30/78/59/360307859.db2.gz CFZMONVWBKBZTI-LLVKDONJSA-N 1 1 307.350 1.308 20 5 DDBDMO COC[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605356 360481095 /nfs/dbraw/zinc/48/10/95/360481095.db2.gz ZMHUPJLJGJBCGV-ZIAGYGMSSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@H+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092115 360621057 /nfs/dbraw/zinc/62/10/57/360621057.db2.gz JAESPISAXNWFTR-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292524301 223124022 /nfs/dbraw/zinc/12/40/22/223124022.db2.gz WNRKCZDRUPIDEW-FZMZJTMJSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292524301 223124025 /nfs/dbraw/zinc/12/40/25/223124025.db2.gz WNRKCZDRUPIDEW-FZMZJTMJSA-N 1 1 319.361 1.329 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000271896107 209305362 /nfs/dbraw/zinc/30/53/62/209305362.db2.gz FVSUGOFXKJUOIR-UHFFFAOYSA-N 1 1 323.324 1.491 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193021614 200978445 /nfs/dbraw/zinc/97/84/45/200978445.db2.gz HVGSUDQNMQLZCE-NSHDSACASA-N 1 1 304.350 1.512 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251941 363945953 /nfs/dbraw/zinc/94/59/53/363945953.db2.gz CBQXYTQMULKXNZ-KGLIPLIRSA-N 1 1 307.325 1.853 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619789707 364151353 /nfs/dbraw/zinc/15/13/53/364151353.db2.gz OICQXMJEBNBNDX-LBPRGKRZSA-N 1 1 301.306 1.234 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619789707 364151356 /nfs/dbraw/zinc/15/13/56/364151356.db2.gz OICQXMJEBNBNDX-LBPRGKRZSA-N 1 1 301.306 1.234 20 5 DDBDMO C[NH+](C)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000288187996 220006400 /nfs/dbraw/zinc/00/64/00/220006400.db2.gz NIDYBWUPSAVZGM-LLVKDONJSA-N 1 1 321.312 1.490 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000264903888 204255947 /nfs/dbraw/zinc/25/59/47/204255947.db2.gz ZYTALZPIXCWUSI-UHFFFAOYSA-N 1 1 310.379 1.765 20 5 DDBDMO Cc1c(C(=O)NCc2c[nH+]c(N(C)C)n2C)cccc1[N+](=O)[O-] ZINC000265081086 204383617 /nfs/dbraw/zinc/38/36/17/204383617.db2.gz XEZWMOQKCMELAH-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288343449 220095871 /nfs/dbraw/zinc/09/58/71/220095871.db2.gz JXMCWJSRBAIJOQ-BXUZGUMPSA-N 1 1 319.361 1.999 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000266204802 205181371 /nfs/dbraw/zinc/18/13/71/205181371.db2.gz WTDJVJQJKRHEOX-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041873581 183223596 /nfs/dbraw/zinc/22/35/96/183223596.db2.gz JMIKWEQIACILKG-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344354 223839649 /nfs/dbraw/zinc/83/96/49/223839649.db2.gz JDFDCYLZUQBWII-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344354 223839651 /nfs/dbraw/zinc/83/96/51/223839651.db2.gz JDFDCYLZUQBWII-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159787324 197364449 /nfs/dbraw/zinc/36/44/49/197364449.db2.gz ROTUHNCMSRZPLI-DOMZBBRYSA-N 1 1 321.377 1.650 20 5 DDBDMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000273963264 211218959 /nfs/dbraw/zinc/21/89/59/211218959.db2.gz FYJHETUZECATMP-VIFPVBQESA-N 1 1 319.321 1.616 20 5 DDBDMO Cn1nccc1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338546993 250024544 /nfs/dbraw/zinc/02/45/44/250024544.db2.gz PXUKNRUXCKGBFZ-LBPRGKRZSA-N 1 1 316.365 1.452 20 5 DDBDMO Cc1cccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285350947 218392674 /nfs/dbraw/zinc/39/26/74/218392674.db2.gz ULYQQCFHADZPFB-UONOGXRCSA-N 1 1 319.361 1.448 20 5 DDBDMO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057707203 184048169 /nfs/dbraw/zinc/04/81/69/184048169.db2.gz HQHWSDGEAUWCDK-GFCCVEGCSA-N 1 1 321.377 1.963 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000341048160 251353671 /nfs/dbraw/zinc/35/36/71/251353671.db2.gz SILZHFLOGZNOID-UHFFFAOYSA-N 1 1 315.805 1.939 20 5 DDBDMO CN(CCCNc1ncc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000341048160 251353674 /nfs/dbraw/zinc/35/36/74/251353674.db2.gz SILZHFLOGZNOID-UHFFFAOYSA-N 1 1 315.805 1.939 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000423493211 285168878 /nfs/dbraw/zinc/16/88/78/285168878.db2.gz PPHYMRREQARMEF-BFHYXJOUSA-N 1 1 323.397 1.243 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000186710263 285168523 /nfs/dbraw/zinc/16/85/23/285168523.db2.gz NQLIWFXVMFZZMB-MRXNPFEDSA-N 1 1 314.345 1.923 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000352617609 285176545 /nfs/dbraw/zinc/17/65/45/285176545.db2.gz GCIIOGMIHHLDDP-HNNXBMFYSA-N 1 1 307.325 1.836 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000352617609 285176549 /nfs/dbraw/zinc/17/65/49/285176549.db2.gz GCIIOGMIHHLDDP-HNNXBMFYSA-N 1 1 307.325 1.836 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000352669323 285212388 /nfs/dbraw/zinc/21/23/88/285212388.db2.gz YUXSYXPHUOUBRE-KGLIPLIRSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000120713243 195221872 /nfs/dbraw/zinc/22/18/72/195221872.db2.gz NQBLQGRGUXLDFF-LBPRGKRZSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000352798023 285307865 /nfs/dbraw/zinc/30/78/65/285307865.db2.gz WYQUJYBNQKUMCP-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783077 221222300 /nfs/dbraw/zinc/22/23/00/221222300.db2.gz LVOHORSOVGMZFO-GXSJLCMTSA-N 1 1 304.297 1.129 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000579714563 422820667 /nfs/dbraw/zinc/82/06/67/422820667.db2.gz YCVKDXZUZMZMGE-NSHDSACASA-N 1 1 322.365 1.543 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000068369201 406637800 /nfs/dbraw/zinc/63/78/00/406637800.db2.gz PAINXGIISWQYDO-CYBMUJFWSA-N 1 1 320.349 1.182 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075890423 406945785 /nfs/dbraw/zinc/94/57/85/406945785.db2.gz HSFBBJLAPZRLPG-HNNXBMFYSA-N 1 1 305.378 1.891 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046859979 407065435 /nfs/dbraw/zinc/06/54/35/407065435.db2.gz LXXZMRROCPLQCD-LLVKDONJSA-N 1 1 306.366 1.902 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000123689777 407336636 /nfs/dbraw/zinc/33/66/36/407336636.db2.gz XGHWPKDJYVCAMC-NSHDSACASA-N 1 1 323.397 1.631 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000109231911 407396247 /nfs/dbraw/zinc/39/62/47/407396247.db2.gz WTZDYLZVYGGMHL-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000126103634 407405670 /nfs/dbraw/zinc/40/56/70/407405670.db2.gz GQJZUEIPCGIYDZ-SBKAZYGRSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000126103634 407405672 /nfs/dbraw/zinc/40/56/72/407405672.db2.gz GQJZUEIPCGIYDZ-SBKAZYGRSA-N 1 1 300.380 1.802 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(Cl)c1 ZINC000127016056 407426074 /nfs/dbraw/zinc/42/60/74/407426074.db2.gz TYMHWJJCVDNCEN-LLVKDONJSA-N 1 1 318.782 1.915 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000151793063 407498502 /nfs/dbraw/zinc/49/85/02/407498502.db2.gz OGPODFUSTUFHKG-OLZOCXBDSA-N 1 1 320.349 1.972 20 5 DDBDMO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261695182 407581157 /nfs/dbraw/zinc/58/11/57/407581157.db2.gz IUGYHNRMWCWOSX-IUCAKERBSA-N 1 1 303.322 1.280 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCOC1 ZINC000178778208 407599298 /nfs/dbraw/zinc/59/92/98/407599298.db2.gz CFNWXVIPWOQQDO-GFCCVEGCSA-N 1 1 319.361 1.452 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)Cc2cccnc2)c1 ZINC000152330770 407612521 /nfs/dbraw/zinc/61/25/21/407612521.db2.gz ZHEXFYRGJTXZTK-UHFFFAOYSA-N 1 1 317.345 1.863 20 5 DDBDMO C[NH+](C)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178837251 407619953 /nfs/dbraw/zinc/61/99/53/407619953.db2.gz OKLWPYPYEDSKEJ-AWEZNQCLSA-N 1 1 317.349 1.210 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227890166 407638628 /nfs/dbraw/zinc/63/86/28/407638628.db2.gz XJVLLUXMGXTCGN-JTQLQIEISA-N 1 1 300.309 1.531 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227890166 407638633 /nfs/dbraw/zinc/63/86/33/407638633.db2.gz XJVLLUXMGXTCGN-JTQLQIEISA-N 1 1 300.309 1.531 20 5 DDBDMO COC(=O)C1(O)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271369538 407655539 /nfs/dbraw/zinc/65/55/39/407655539.db2.gz JAYGEIUGMUPLDK-NSHDSACASA-N 1 1 308.334 1.656 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC000179241507 407762646 /nfs/dbraw/zinc/76/26/46/407762646.db2.gz SXTLWBTXCUOJAA-OAHLLOKOSA-N 1 1 316.361 1.817 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268278945 407981574 /nfs/dbraw/zinc/98/15/74/407981574.db2.gz WUSBWOKCUIEELZ-ZWNOBZJWSA-N 1 1 321.381 1.089 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272428625 407915019 /nfs/dbraw/zinc/91/50/19/407915019.db2.gz HJCOHNICAFFRFT-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000188411537 407940432 /nfs/dbraw/zinc/94/04/32/407940432.db2.gz UPJAPNGNJONBDC-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000181992883 408062444 /nfs/dbraw/zinc/06/24/44/408062444.db2.gz SEJHFPFMMJRKGZ-BBRMVZONSA-N 1 1 322.361 1.447 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182325378 408126229 /nfs/dbraw/zinc/12/62/29/408126229.db2.gz VCZWPRXSMCASAO-SWLSCSKDSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000176247560 408321710 /nfs/dbraw/zinc/32/17/10/408321710.db2.gz NOPCIIIVLUQLOQ-UHFFFAOYSA-N 1 1 321.381 1.268 20 5 DDBDMO COc1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176217625 408311589 /nfs/dbraw/zinc/31/15/89/408311589.db2.gz UOEZBUXRFXQQQA-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc2c(c1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000176217625 408311592 /nfs/dbraw/zinc/31/15/92/408311592.db2.gz UOEZBUXRFXQQQA-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000165302595 162160202 /nfs/dbraw/zinc/16/02/02/162160202.db2.gz QCKNEVVWNOROHP-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000176935072 408480487 /nfs/dbraw/zinc/48/04/87/408480487.db2.gz WLBDONHHXDRCQM-GXSJLCMTSA-N 1 1 309.370 1.339 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000264472603 408503976 /nfs/dbraw/zinc/50/39/76/408503976.db2.gz GPGXIZHKFAEZRL-NSHDSACASA-N 1 1 311.313 1.184 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000160834636 408529584 /nfs/dbraw/zinc/52/95/84/408529584.db2.gz QVYJPWWUFGRZFH-AWEZNQCLSA-N 1 1 307.350 1.626 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177205401 408551127 /nfs/dbraw/zinc/55/11/27/408551127.db2.gz YFHHWYWDYAIPOT-MNOVXSKESA-N 1 1 319.361 1.958 20 5 DDBDMO COc1ccc(OCC[N@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000177254576 408565870 /nfs/dbraw/zinc/56/58/70/408565870.db2.gz ITZFASJQZHDJAF-UHFFFAOYSA-N 1 1 318.333 1.904 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)Cc2cnccn2)c([N+](=O)[O-])c1 ZINC000177254576 408565875 /nfs/dbraw/zinc/56/58/75/408565875.db2.gz ITZFASJQZHDJAF-UHFFFAOYSA-N 1 1 318.333 1.904 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(O)CC1 ZINC000177341930 408584893 /nfs/dbraw/zinc/58/48/93/408584893.db2.gz PXUZJAKBXPRKOG-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161338301 408589004 /nfs/dbraw/zinc/58/90/04/408589004.db2.gz SLOBQXYPNJDLHK-CMPLNLGQSA-N 1 1 323.397 1.729 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192660809 408626263 /nfs/dbraw/zinc/62/62/63/408626263.db2.gz VVUVFHFFIKGMSZ-LBPRGKRZSA-N 1 1 313.379 1.357 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000161979292 408658353 /nfs/dbraw/zinc/65/83/53/408658353.db2.gz UEKXWSFNNVYELS-ZDUSSCGKSA-N 1 1 323.397 1.562 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761447 408670012 /nfs/dbraw/zinc/67/00/12/408670012.db2.gz MTKAFFZOLWEBHW-WDEREUQCSA-N 1 1 309.370 1.179 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000270917405 408738990 /nfs/dbraw/zinc/73/89/90/408738990.db2.gz MWKYUKLJQVFLPI-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000270917405 408738993 /nfs/dbraw/zinc/73/89/93/408738993.db2.gz MWKYUKLJQVFLPI-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C1CCC1 ZINC000275829735 408689464 /nfs/dbraw/zinc/68/94/64/408689464.db2.gz LPUQRLJIGWTLNB-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C1CCC1 ZINC000275829735 408689471 /nfs/dbraw/zinc/68/94/71/408689471.db2.gz LPUQRLJIGWTLNB-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000251950772 408791226 /nfs/dbraw/zinc/79/12/26/408791226.db2.gz VCEOYVBCGKHQMJ-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164563645 408801149 /nfs/dbraw/zinc/80/11/49/408801149.db2.gz DWCUXHPOLMRTLQ-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000178004455 408754378 /nfs/dbraw/zinc/75/43/78/408754378.db2.gz TZQOQAHNUPGAFP-ABAIWWIYSA-N 1 1 318.377 1.733 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280832179 408843002 /nfs/dbraw/zinc/84/30/02/408843002.db2.gz WCHXAFPVEILBNA-HNNXBMFYSA-N 1 1 323.349 1.180 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189735416 163113110 /nfs/dbraw/zinc/11/31/10/163113110.db2.gz KJGZWYMISLWOAC-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292149106 408990045 /nfs/dbraw/zinc/99/00/45/408990045.db2.gz IKAJFCQOXIRWOH-INIZCTEOSA-N 1 1 319.361 1.528 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000288418031 409165100 /nfs/dbraw/zinc/16/51/00/409165100.db2.gz MAAZIVJKWZGUCN-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000288418031 409165102 /nfs/dbraw/zinc/16/51/02/409165102.db2.gz MAAZIVJKWZGUCN-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO COc1c(C)c[nH+]c(CN(C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000295256057 409398620 /nfs/dbraw/zinc/39/86/20/409398620.db2.gz ZSPBJZCNPMHSGP-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO COc1c(C)cnc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000295256057 409398626 /nfs/dbraw/zinc/39/86/26/409398626.db2.gz ZSPBJZCNPMHSGP-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO COc1c(C)cnc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000295256057 409398630 /nfs/dbraw/zinc/39/86/30/409398630.db2.gz ZSPBJZCNPMHSGP-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000296064332 409417521 /nfs/dbraw/zinc/41/75/21/409417521.db2.gz GIXSIFZOVZCAEL-FZMZJTMJSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000296064332 409417527 /nfs/dbraw/zinc/41/75/27/409417527.db2.gz GIXSIFZOVZCAEL-FZMZJTMJSA-N 1 1 307.350 1.403 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000317235065 164027423 /nfs/dbraw/zinc/02/74/23/164027423.db2.gz LOVKYIJEMQTMMS-VXGBXAGGSA-N 1 1 304.350 1.534 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979921 164046258 /nfs/dbraw/zinc/04/62/58/164046258.db2.gz OZBQQPQKLNAFRU-VXGBXAGGSA-N 1 1 323.324 1.327 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000347020224 164098252 /nfs/dbraw/zinc/09/82/52/164098252.db2.gz SXRZVVPNQMEPHY-LBPRGKRZSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357033735 164136864 /nfs/dbraw/zinc/13/68/64/164136864.db2.gz IAPOWWFQHOFVHW-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408113027 164232099 /nfs/dbraw/zinc/23/20/99/164232099.db2.gz PTELMGFNEXKVKT-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000408113027 164232101 /nfs/dbraw/zinc/23/21/01/164232101.db2.gz PTELMGFNEXKVKT-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345170678 409656349 /nfs/dbraw/zinc/65/63/49/409656349.db2.gz IVKJNMOZGWWJKW-WDEREUQCSA-N 1 1 306.366 1.613 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596389 409673560 /nfs/dbraw/zinc/67/35/60/409673560.db2.gz UCNSFDSJZCGBFG-KGLIPLIRSA-N 1 1 312.370 1.043 20 5 DDBDMO NC(=O)[C@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000314841877 409831264 /nfs/dbraw/zinc/83/12/64/409831264.db2.gz UKBCLNXSZNBWSO-ZDUSSCGKSA-N 1 1 313.741 1.060 20 5 DDBDMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000314841877 409831268 /nfs/dbraw/zinc/83/12/68/409831268.db2.gz UKBCLNXSZNBWSO-ZDUSSCGKSA-N 1 1 313.741 1.060 20 5 DDBDMO CC(C)[N@H+](CCOCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000338592043 410032234 /nfs/dbraw/zinc/03/22/34/410032234.db2.gz XQQNRGNJHKDJLQ-UHFFFAOYSA-N 1 1 300.330 1.953 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)Cc1c(F)cccc1[N+](=O)[O-] ZINC000338592043 410032238 /nfs/dbraw/zinc/03/22/38/410032238.db2.gz XQQNRGNJHKDJLQ-UHFFFAOYSA-N 1 1 300.330 1.953 20 5 DDBDMO C[N@H+]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000332278946 410035867 /nfs/dbraw/zinc/03/58/67/410035867.db2.gz HTRUPCMJPVLYHG-UHFFFAOYSA-N 1 1 313.304 1.580 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000332336395 410077750 /nfs/dbraw/zinc/07/77/50/410077750.db2.gz VYAMZIJWPVXMIO-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO CC[N@@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000343274610 410298121 /nfs/dbraw/zinc/29/81/21/410298121.db2.gz RXHODGYHIYKQOH-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000343274610 410298125 /nfs/dbraw/zinc/29/81/25/410298125.db2.gz RXHODGYHIYKQOH-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347011792 410311671 /nfs/dbraw/zinc/31/16/71/410311671.db2.gz MLGILANBLTWHOU-ZDUSSCGKSA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000343459882 410471677 /nfs/dbraw/zinc/47/16/77/410471677.db2.gz WTJNRUXNCSIALK-WCQYABFASA-N 1 1 323.397 1.397 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000352213519 410550746 /nfs/dbraw/zinc/55/07/46/410550746.db2.gz VLDKBLMWHVLCCR-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000352213519 410550751 /nfs/dbraw/zinc/55/07/51/410550751.db2.gz VLDKBLMWHVLCCR-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCOCC1 ZINC000301124061 410660664 /nfs/dbraw/zinc/66/06/64/410660664.db2.gz VDTKCSOLLJFGJV-LLVKDONJSA-N 1 1 324.385 1.126 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000343715717 410644355 /nfs/dbraw/zinc/64/43/55/410644355.db2.gz MTPURSZGIMUFMY-UHFFFAOYSA-N 1 1 318.377 1.698 20 5 DDBDMO C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555599 410726416 /nfs/dbraw/zinc/72/64/16/410726416.db2.gz KRSMRNGVPDYUGD-YUELXQCFSA-N 1 1 308.382 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(CO)CC1 ZINC000353009595 410732231 /nfs/dbraw/zinc/73/22/31/410732231.db2.gz QYLFEVFGRIGELH-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccnc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301250331 410685370 /nfs/dbraw/zinc/68/53/70/410685370.db2.gz BVLXVJYAUHBORM-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000337427435 410778255 /nfs/dbraw/zinc/77/82/55/410778255.db2.gz SWWNABANKIRICT-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000359624972 410778379 /nfs/dbraw/zinc/77/83/79/410778379.db2.gz OSVBKCFUNAYEEZ-UHFFFAOYSA-N 1 1 319.361 1.800 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330575854 410791032 /nfs/dbraw/zinc/79/10/32/410791032.db2.gz GEEHLZVIRMOIPO-STQMWFEESA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330579870 410795162 /nfs/dbraw/zinc/79/51/62/410795162.db2.gz IHOMCXCZHJJCMT-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330647657 410847211 /nfs/dbraw/zinc/84/72/11/410847211.db2.gz ZRWQHQLOOIBENL-RYUDHWBXSA-N 1 1 307.350 1.525 20 5 DDBDMO Cc1cc(OCC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331208984 411020553 /nfs/dbraw/zinc/02/05/53/411020553.db2.gz WHJBVOMOGOBAQI-OLZOCXBDSA-N 1 1 321.377 1.833 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331241397 411035341 /nfs/dbraw/zinc/03/53/41/411035341.db2.gz NGEDMVUONDYAIN-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331241397 411035347 /nfs/dbraw/zinc/03/53/47/411035347.db2.gz NGEDMVUONDYAIN-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331241397 411035353 /nfs/dbraw/zinc/03/53/53/411035353.db2.gz NGEDMVUONDYAIN-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO COc1c(C(=O)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000356672487 411120423 /nfs/dbraw/zinc/12/04/23/411120423.db2.gz KEGYBOKDXZMJIC-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccccc3[C@@H]2CO)n1 ZINC000130866360 196117243 /nfs/dbraw/zinc/11/72/43/196117243.db2.gz SOMAIPSBEVAFIL-AWEZNQCLSA-N 1 1 302.334 1.383 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580328857 422921104 /nfs/dbraw/zinc/92/11/04/422921104.db2.gz GDZLLQMNNDNOMO-UHFFFAOYSA-N 1 1 303.322 1.653 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000580660279 422947495 /nfs/dbraw/zinc/94/74/95/422947495.db2.gz YZHRIAPBYPRZAN-LLVKDONJSA-N 1 1 301.368 1.021 20 5 DDBDMO Cc1nc(NC[C@H](C(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296586868 226022024 /nfs/dbraw/zinc/02/20/24/226022024.db2.gz RODVWLSNXJOBLW-GFCCVEGCSA-N 1 1 309.370 1.462 20 5 DDBDMO COc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000360444397 418436705 /nfs/dbraw/zinc/43/67/05/418436705.db2.gz OOWLFSHAMQRVFX-UHFFFAOYSA-N 1 1 316.317 1.657 20 5 DDBDMO COc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000360444397 418436706 /nfs/dbraw/zinc/43/67/06/418436706.db2.gz OOWLFSHAMQRVFX-UHFFFAOYSA-N 1 1 316.317 1.657 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360945990 418552217 /nfs/dbraw/zinc/55/22/17/418552217.db2.gz SUXNAGYZENRUNZ-ZWNOBZJWSA-N 1 1 318.377 1.849 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000191840314 222109574 /nfs/dbraw/zinc/10/95/74/222109574.db2.gz YTMOVQFBUWUNFR-ZJUUUORDSA-N 1 1 307.354 1.166 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375011468 418587954 /nfs/dbraw/zinc/58/79/54/418587954.db2.gz FZGIKRQOISLMBE-ZIAGYGMSSA-N 1 1 308.382 1.930 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@@H]21 ZINC000375050720 418596667 /nfs/dbraw/zinc/59/66/67/418596667.db2.gz SFDVBJDHPQAUOU-CABZTGNLSA-N 1 1 303.322 1.661 20 5 DDBDMO CN(CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361353926 418633247 /nfs/dbraw/zinc/63/32/47/418633247.db2.gz JGDGPGWREBSERO-LBPRGKRZSA-N 1 1 318.377 1.384 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357772219 418651907 /nfs/dbraw/zinc/65/19/07/418651907.db2.gz AFSTYQCYLFNDKH-LLVKDONJSA-N 1 1 306.370 2.170 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000368067869 418684379 /nfs/dbraw/zinc/68/43/79/418684379.db2.gz BSONQEBLQMMIQP-WDEREUQCSA-N 1 1 323.324 1.310 20 5 DDBDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000372125446 418838664 /nfs/dbraw/zinc/83/86/64/418838664.db2.gz KBCVMYVNGCFKNW-BYCMXARLSA-N 1 1 318.377 1.388 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936459 419370314 /nfs/dbraw/zinc/37/03/14/419370314.db2.gz INMBHEOIVQFOFP-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936459 419370318 /nfs/dbraw/zinc/37/03/18/419370318.db2.gz INMBHEOIVQFOFP-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948120 419375678 /nfs/dbraw/zinc/37/56/78/419375678.db2.gz VJWNIIKPZQWSPE-VNHYZAJKSA-N 1 1 324.377 1.285 20 5 DDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411687830 419380733 /nfs/dbraw/zinc/38/07/33/419380733.db2.gz ZFPSHRPGWNUWFP-SNVBAGLBSA-N 1 1 309.322 1.417 20 5 DDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411687830 419380736 /nfs/dbraw/zinc/38/07/36/419380736.db2.gz ZFPSHRPGWNUWFP-SNVBAGLBSA-N 1 1 309.322 1.417 20 5 DDBDMO Nc1c([N+](=O)[O-])cnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421220048 419526493 /nfs/dbraw/zinc/52/64/93/419526493.db2.gz VUZADUBFFYGLCP-UHFFFAOYSA-N 1 1 317.349 1.254 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412067522 419616683 /nfs/dbraw/zinc/61/66/83/419616683.db2.gz DTNIRYVEFAANPZ-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412067522 419616690 /nfs/dbraw/zinc/61/66/90/419616690.db2.gz DTNIRYVEFAANPZ-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412108265 419669861 /nfs/dbraw/zinc/66/98/61/419669861.db2.gz SAXOHZSAIZXSPY-GXTWGEPZSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412108265 419669870 /nfs/dbraw/zinc/66/98/70/419669870.db2.gz SAXOHZSAIZXSPY-GXTWGEPZSA-N 1 1 310.350 1.169 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968836 419778118 /nfs/dbraw/zinc/77/81/18/419778118.db2.gz VHDAEBSRGVCDHV-RISCZKNCSA-N 1 1 319.361 1.514 20 5 DDBDMO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCSC1 ZINC000433187813 229169805 /nfs/dbraw/zinc/16/98/05/229169805.db2.gz BKDXTMGVPQYCFE-NSHDSACASA-N 1 1 314.411 1.672 20 5 DDBDMO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCSC1 ZINC000433187813 229169809 /nfs/dbraw/zinc/16/98/09/229169809.db2.gz BKDXTMGVPQYCFE-NSHDSACASA-N 1 1 314.411 1.672 20 5 DDBDMO COC(=O)CCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262185 419993804 /nfs/dbraw/zinc/99/38/04/419993804.db2.gz DTVHVJXDGIMSIQ-UHFFFAOYSA-N 1 1 323.349 1.099 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429881828 420057069 /nfs/dbraw/zinc/05/70/69/420057069.db2.gz DMRUDBQORPFEMZ-GFCCVEGCSA-N 1 1 305.378 1.940 20 5 DDBDMO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430230562 420092414 /nfs/dbraw/zinc/09/24/14/420092414.db2.gz WPOKNZDEBWBAEK-UHFFFAOYSA-N 1 1 323.393 1.758 20 5 DDBDMO [NH3+]CC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)F ZINC000420270069 420175974 /nfs/dbraw/zinc/17/59/74/420175974.db2.gz UMLFQMXGOVOVIC-VIFPVBQESA-N 1 1 313.264 2.039 20 5 DDBDMO COc1ccc(OCCN[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420359694 420233261 /nfs/dbraw/zinc/23/32/61/420233261.db2.gz KCIBSYUEHQMUFX-OAHLLOKOSA-N 1 1 323.393 1.960 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@H](CN)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356300 420234516 /nfs/dbraw/zinc/23/45/16/420234516.db2.gz GAGPKJQBAVOEBT-AWEZNQCLSA-N 1 1 311.382 1.945 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425459532 420390689 /nfs/dbraw/zinc/39/06/89/420390689.db2.gz PUSIYAZKWBLKIL-UHFFFAOYSA-N 1 1 316.155 1.665 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444700024 230123605 /nfs/dbraw/zinc/12/36/05/230123605.db2.gz FOSHXCNRDUJYOA-GXSJLCMTSA-N 1 1 318.333 1.855 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444700024 230123610 /nfs/dbraw/zinc/12/36/10/230123610.db2.gz FOSHXCNRDUJYOA-GXSJLCMTSA-N 1 1 318.333 1.855 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000446065625 230226737 /nfs/dbraw/zinc/22/67/37/230226737.db2.gz AQZOZDKXLIZFQT-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000446065625 230226743 /nfs/dbraw/zinc/22/67/43/230226743.db2.gz AQZOZDKXLIZFQT-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000457072538 420603292 /nfs/dbraw/zinc/60/32/92/420603292.db2.gz JETQJRHTHHVCGP-UHFFFAOYSA-N 1 1 324.356 1.920 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115277 420619542 /nfs/dbraw/zinc/61/95/42/420619542.db2.gz KWSBUMIMKVJRGB-JTQLQIEISA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115277 420619546 /nfs/dbraw/zinc/61/95/46/420619546.db2.gz KWSBUMIMKVJRGB-JTQLQIEISA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115277 420619558 /nfs/dbraw/zinc/61/95/58/420619558.db2.gz KWSBUMIMKVJRGB-JTQLQIEISA-N 1 1 309.370 1.435 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069489 420620705 /nfs/dbraw/zinc/62/07/05/420620705.db2.gz PZPKGFHNALMULA-RYUDHWBXSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452068540 420620834 /nfs/dbraw/zinc/62/08/34/420620834.db2.gz OSUXFJMZOKOXFF-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492665021 420621822 /nfs/dbraw/zinc/62/18/22/420621822.db2.gz YWVTZMFIBSKNPA-IRBQFCFKSA-N 1 1 319.361 1.133 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459654247 420841444 /nfs/dbraw/zinc/84/14/44/420841444.db2.gz YXTDVRKJQCTBOK-OAHLLOKOSA-N 1 1 310.350 1.313 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459654247 420841449 /nfs/dbraw/zinc/84/14/49/420841449.db2.gz YXTDVRKJQCTBOK-OAHLLOKOSA-N 1 1 310.350 1.313 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[N@@H+]1CCCO ZINC000449388184 421003122 /nfs/dbraw/zinc/00/31/22/421003122.db2.gz OKTJBKFWSJBDPO-MRXNPFEDSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000449388184 421003126 /nfs/dbraw/zinc/00/31/26/421003126.db2.gz OKTJBKFWSJBDPO-MRXNPFEDSA-N 1 1 307.394 1.840 20 5 DDBDMO CN1CC[NH+](CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450233735 421167930 /nfs/dbraw/zinc/16/79/30/421167930.db2.gz ONHJMGYEKDAOFG-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000560978311 421301385 /nfs/dbraw/zinc/30/13/85/421301385.db2.gz AEILUQFFTQCNMB-LLVKDONJSA-N 1 1 309.370 1.558 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000525803886 421303057 /nfs/dbraw/zinc/30/30/57/421303057.db2.gz XYXAXFMQIPQLIY-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546810967 421312070 /nfs/dbraw/zinc/31/20/70/421312070.db2.gz DRBANJHDLSYPCQ-IUODEOHRSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000524753473 421269601 /nfs/dbraw/zinc/26/96/01/421269601.db2.gz JDNNQPZMJDOJPX-INIZCTEOSA-N 1 1 318.377 1.983 20 5 DDBDMO COCC[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516904003 421576969 /nfs/dbraw/zinc/57/69/69/421576969.db2.gz BFYAJTZEOLLNLS-ZDUSSCGKSA-N 1 1 321.377 1.489 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000517005731 421586349 /nfs/dbraw/zinc/58/63/49/421586349.db2.gz JWZOTTMKVKLWLF-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000536639861 421723423 /nfs/dbraw/zinc/72/34/23/421723423.db2.gz APQSADAIZHZYTN-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000536639861 421723426 /nfs/dbraw/zinc/72/34/26/421723426.db2.gz APQSADAIZHZYTN-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558759147 421824851 /nfs/dbraw/zinc/82/48/51/421824851.db2.gz WCTDGAGSFYNOBD-NSHDSACASA-N 1 1 307.354 1.122 20 5 DDBDMO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000540951070 421778269 /nfs/dbraw/zinc/77/82/69/421778269.db2.gz XMRPBUMPUZGQOR-NSHDSACASA-N 1 1 307.350 1.761 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000540951070 421778270 /nfs/dbraw/zinc/77/82/70/421778270.db2.gz XMRPBUMPUZGQOR-NSHDSACASA-N 1 1 307.350 1.761 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000344645092 272078027 /nfs/dbraw/zinc/07/80/27/272078027.db2.gz CNYCURFUMVGPOU-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345916002 272364904 /nfs/dbraw/zinc/36/49/04/272364904.db2.gz YZAZCAXIQRZOND-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345995708 272385178 /nfs/dbraw/zinc/38/51/78/272385178.db2.gz UKJCQTJZEKFKLP-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559660 274218364 /nfs/dbraw/zinc/21/83/64/274218364.db2.gz HJIUFEVWOKUZIO-RYUDHWBXSA-N 1 1 308.382 1.784 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277929620 274220586 /nfs/dbraw/zinc/22/05/86/274220586.db2.gz UEXBVVYLMBBCLP-JTQLQIEISA-N 1 1 305.338 1.604 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449522044 276053242 /nfs/dbraw/zinc/05/32/42/276053242.db2.gz KHEWXTGHOVOEPZ-BETUJISGSA-N 1 1 317.345 1.423 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000110993430 276157178 /nfs/dbraw/zinc/15/71/78/276157178.db2.gz KWNCOHGVIKBLFU-LLVKDONJSA-N 1 1 309.370 1.241 20 5 DDBDMO CCOC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459711061 276333975 /nfs/dbraw/zinc/33/39/75/276333975.db2.gz LVONBXMSGVPNAT-CQSZACIVSA-N 1 1 309.366 1.648 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193658123 278215079 /nfs/dbraw/zinc/21/50/79/278215079.db2.gz SKQXGCOXMZUCIL-RWMBFGLXSA-N 1 1 318.377 1.415 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000186813418 281012211 /nfs/dbraw/zinc/01/22/11/281012211.db2.gz YFDBCFIEXUHSBK-GFCCVEGCSA-N 1 1 308.382 1.580 20 5 DDBDMO C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000151784130 281702236 /nfs/dbraw/zinc/70/22/36/281702236.db2.gz FSJVKZHXWPCJKR-LLVKDONJSA-N 1 1 309.391 1.648 20 5 DDBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CO ZINC000305429848 533693788 /nfs/dbraw/zinc/69/37/88/533693788.db2.gz DLDTWSBNFQCPSW-QMTHXVAHSA-N 1 1 307.350 1.287 20 5 DDBDMO NC(=O)C[N@@H+](CCC1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000357924852 299022047 /nfs/dbraw/zinc/02/20/47/299022047.db2.gz GBGVEXFFORFLNZ-UHFFFAOYSA-N 1 1 323.397 1.549 20 5 DDBDMO COC(=O)CN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363329125 300252275 /nfs/dbraw/zinc/25/22/75/300252275.db2.gz AFXOABMMRLWAAZ-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO COC(=O)CN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000363329125 300252277 /nfs/dbraw/zinc/25/22/77/300252277.db2.gz AFXOABMMRLWAAZ-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363439882 300267821 /nfs/dbraw/zinc/26/78/21/300267821.db2.gz OQXXLTKQQNAXAS-SNVBAGLBSA-N 1 1 306.322 1.006 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000368404316 301020185 /nfs/dbraw/zinc/02/01/85/301020185.db2.gz LIHNCFGZVNSCLG-NEPJUHHUSA-N 1 1 323.378 1.446 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000368404316 301020187 /nfs/dbraw/zinc/02/01/87/301020187.db2.gz LIHNCFGZVNSCLG-NEPJUHHUSA-N 1 1 323.378 1.446 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368587738 301058682 /nfs/dbraw/zinc/05/86/82/301058682.db2.gz DRYJEIJFSCZHAM-CJNGLKHVSA-N 1 1 317.389 1.998 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000369359358 301171390 /nfs/dbraw/zinc/17/13/90/301171390.db2.gz QQASQGKDBBISRB-MRXNPFEDSA-N 1 1 318.421 1.807 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376048123 302031155 /nfs/dbraw/zinc/03/11/55/302031155.db2.gz PYFBGFASRWGYQX-KCQAQPDRSA-N 1 1 322.361 1.445 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929741 307112994 /nfs/dbraw/zinc/11/29/94/307112994.db2.gz IUUBTYVEHXKFDL-ZIAGYGMSSA-N 1 1 304.350 1.174 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c2c(c1)COCO2 ZINC000373512578 307189577 /nfs/dbraw/zinc/18/95/77/307189577.db2.gz LSCRDMDUAMECCQ-CYBMUJFWSA-N 1 1 306.318 1.418 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c2c(c1)COCO2 ZINC000373512578 307189578 /nfs/dbraw/zinc/18/95/78/307189578.db2.gz LSCRDMDUAMECCQ-CYBMUJFWSA-N 1 1 306.318 1.418 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]21 ZINC000375047435 307217880 /nfs/dbraw/zinc/21/78/80/307217880.db2.gz DDQQTRDWIAFFNO-QWRGUYRKSA-N 1 1 302.338 1.168 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000375573268 307228452 /nfs/dbraw/zinc/22/84/52/307228452.db2.gz VEZDRAZOVWTJDW-HNNXBMFYSA-N 1 1 321.333 1.548 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663593 307252422 /nfs/dbraw/zinc/25/24/22/307252422.db2.gz LJGVZJBHDXMSEJ-JQWIXIFHSA-N 1 1 320.349 1.170 20 5 DDBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000497296033 307389246 /nfs/dbraw/zinc/38/92/46/307389246.db2.gz HKBZDPJBVIVITF-ZDUSSCGKSA-N 1 1 305.334 1.869 20 5 DDBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000531665065 307621694 /nfs/dbraw/zinc/62/16/94/307621694.db2.gz PIVDEXDLUCWNTJ-WCQYABFASA-N 1 1 322.365 1.296 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000567178777 308075181 /nfs/dbraw/zinc/07/51/81/308075181.db2.gz PSIHNVINLIDZSW-ZDUSSCGKSA-N 1 1 305.378 1.938 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488801831 484218360 /nfs/dbraw/zinc/21/83/60/484218360.db2.gz NHVIXJIZBKDJLO-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488805476 484220454 /nfs/dbraw/zinc/22/04/54/484220454.db2.gz SUJWOHPLVDOQEA-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361591241 484521104 /nfs/dbraw/zinc/52/11/04/484521104.db2.gz YPNRDUHHDYWNKI-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO COC(=O)Cc1ccc(N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000294858570 533751338 /nfs/dbraw/zinc/75/13/38/533751338.db2.gz CVUKPBKLBWRTJB-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO COc1cc(C[N@@H+](C)CC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC000444753513 533782119 /nfs/dbraw/zinc/78/21/19/533782119.db2.gz NYHFEKQEPWZVIK-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000416994090 534354981 /nfs/dbraw/zinc/35/49/81/534354981.db2.gz JIJLEUREDYTDBI-VXGBXAGGSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000416994090 534354983 /nfs/dbraw/zinc/35/49/83/534354983.db2.gz JIJLEUREDYTDBI-VXGBXAGGSA-N 1 1 322.365 1.514 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444174 521326215 /nfs/dbraw/zinc/32/62/15/521326215.db2.gz COPPJLYFHGEBFH-ZJUUUORDSA-N 1 1 309.370 1.470 20 5 DDBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000297400131 528402911 /nfs/dbraw/zinc/40/29/11/528402911.db2.gz FSYMEAUFNUHXDP-ZDUSSCGKSA-N 1 1 323.397 1.630 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330890005 528547694 /nfs/dbraw/zinc/54/76/94/528547694.db2.gz BPXYYFSFWDHXDO-NXEZZACHSA-N 1 1 309.370 1.483 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452185428 529049219 /nfs/dbraw/zinc/04/92/19/529049219.db2.gz NBUIFTVNQIRBAI-SWLSCSKDSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452185428 529049225 /nfs/dbraw/zinc/04/92/25/529049225.db2.gz NBUIFTVNQIRBAI-SWLSCSKDSA-N 1 1 321.377 1.881 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736846954 598810263 /nfs/dbraw/zinc/81/02/63/598810263.db2.gz DFFLGBVPQQDTQU-VIFPVBQESA-N 1 1 303.326 1.139 20 5 DDBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821242875 606732041 /nfs/dbraw/zinc/73/20/41/606732041.db2.gz XGIKUCLABASLQB-TVQRCGJNSA-N 1 1 317.353 1.527 20 5 DDBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000798824935 700099569 /nfs/dbraw/zinc/09/95/69/700099569.db2.gz GPSQYFFFBYOIRY-CQSZACIVSA-N 1 1 323.349 1.663 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118400680 696673342 /nfs/dbraw/zinc/67/33/42/696673342.db2.gz FKHMMIFIJYBMTO-JTQLQIEISA-N 1 1 313.741 1.643 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118400680 696673343 /nfs/dbraw/zinc/67/33/43/696673343.db2.gz FKHMMIFIJYBMTO-JTQLQIEISA-N 1 1 313.741 1.643 20 5 DDBDMO Cc1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000748491992 700121678 /nfs/dbraw/zinc/12/16/78/700121678.db2.gz NKRJHATUTPVAQK-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO C[NH+]1CCN(C(=O)CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749320383 700156454 /nfs/dbraw/zinc/15/64/54/700156454.db2.gz RTTKHJKORWOIEV-UHFFFAOYSA-N 1 1 314.292 1.059 20 5 DDBDMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583014 698121753 /nfs/dbraw/zinc/12/17/53/698121753.db2.gz YNVFMJQMUPIYEW-DOMZBBRYSA-N 1 1 321.377 1.606 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854185 698144024 /nfs/dbraw/zinc/14/40/24/698144024.db2.gz PZKWPPHBZIBTOB-BXUZGUMPSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854185 698144028 /nfs/dbraw/zinc/14/40/28/698144028.db2.gz PZKWPPHBZIBTOB-BXUZGUMPSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637417 699820529 /nfs/dbraw/zinc/82/05/29/699820529.db2.gz WINGXHOGAYGTTE-WDEREUQCSA-N 1 1 321.333 1.696 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637417 699820532 /nfs/dbraw/zinc/82/05/32/699820532.db2.gz WINGXHOGAYGTTE-WDEREUQCSA-N 1 1 321.333 1.696 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743978818 699931698 /nfs/dbraw/zinc/93/16/98/699931698.db2.gz PDLWCHKFWKHUDL-NSHDSACASA-N 1 1 320.349 1.134 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332462 700699158 /nfs/dbraw/zinc/69/91/58/700699158.db2.gz BJFDNSBOFSVNLQ-RNCFNFMXSA-N 1 1 307.325 1.946 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761711013 700867766 /nfs/dbraw/zinc/86/77/66/700867766.db2.gz IVKRFSOUHDXMDC-VIFPVBQESA-N 1 1 305.256 1.641 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804416745 701187945 /nfs/dbraw/zinc/18/79/45/701187945.db2.gz RKMBKQSPUPJNAD-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000771941409 701337630 /nfs/dbraw/zinc/33/76/30/701337630.db2.gz URQCVCNYESLEAZ-UHFFFAOYSA-N 1 1 323.280 1.861 20 5 DDBDMO COC(=O)[C@]1(C)CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839668352 701773840 /nfs/dbraw/zinc/77/38/40/701773840.db2.gz ZRGXFQMRYHLJCZ-GOEBONIOSA-N 1 1 322.361 1.903 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810839419 701859961 /nfs/dbraw/zinc/85/99/61/701859961.db2.gz AYZLUZILNCPNHH-CHWSQXEVSA-N 1 1 322.365 1.660 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868075530 701927144 /nfs/dbraw/zinc/92/71/44/701927144.db2.gz KXLFDLNUDGUOPQ-DZGCQCFKSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000868535305 702183143 /nfs/dbraw/zinc/18/31/43/702183143.db2.gz REFVXADOGIATRI-MRXNPFEDSA-N 1 1 321.352 1.831 20 5 DDBDMO O=[N+]([O-])c1ccccc1Cc1noc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000843170617 702832427 /nfs/dbraw/zinc/83/24/27/702832427.db2.gz HXEHWLXFSIXWEE-LBPRGKRZSA-N 1 1 318.333 1.837 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000845735918 703195008 /nfs/dbraw/zinc/19/50/08/703195008.db2.gz MZWRWFVBVVNPRN-SNVBAGLBSA-N 1 1 310.354 1.841 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N(C)OCC ZINC000846062267 703232389 /nfs/dbraw/zinc/23/23/89/703232389.db2.gz AYZQOVBPFOLSRT-UHFFFAOYSA-N 1 1 311.338 1.493 20 5 DDBDMO CO[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481550 703555577 /nfs/dbraw/zinc/55/55/77/703555577.db2.gz ZZZVOGHIYCQCMF-HUUCEWRRSA-N 1 1 319.361 1.589 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481550 703555579 /nfs/dbraw/zinc/55/55/79/703555579.db2.gz ZZZVOGHIYCQCMF-HUUCEWRRSA-N 1 1 319.361 1.589 20 5 DDBDMO O=C1CC[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844329 703868882 /nfs/dbraw/zinc/86/88/82/703868882.db2.gz VVWGGNHIXBTEKE-ZYHUDNBSSA-N 1 1 306.322 1.182 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852500766 704063859 /nfs/dbraw/zinc/06/38/59/704063859.db2.gz DKDYKZIVGDFEFH-HZPDHXFCSA-N 1 1 306.362 1.865 20 5 DDBDMO CCO[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870873483 704152925 /nfs/dbraw/zinc/15/29/25/704152925.db2.gz CUDKDDWXHPKDOJ-ZBFHGGJFSA-N 1 1 321.377 1.796 20 5 DDBDMO C[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000870874382 704153309 /nfs/dbraw/zinc/15/33/09/704153309.db2.gz IVGVBGLNBOHXBP-MEDUHNTESA-N 1 1 321.377 1.795 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853064144 704191340 /nfs/dbraw/zinc/19/13/40/704191340.db2.gz FDTCNIAXLLGCNM-MRVPVSSYSA-N 1 1 321.175 1.255 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500388 704251308 /nfs/dbraw/zinc/25/13/08/704251308.db2.gz JNOASLJTOYDDEE-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500388 704251310 /nfs/dbraw/zinc/25/13/10/704251310.db2.gz JNOASLJTOYDDEE-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565927 704271858 /nfs/dbraw/zinc/27/18/58/704271858.db2.gz KQZQQFKFJRNRFM-IUODEOHRSA-N 1 1 302.334 1.870 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC000856795793 704539042 /nfs/dbraw/zinc/53/90/42/704539042.db2.gz JZYGBHQKMXLJGP-JQWIXIFHSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC000856795793 704539043 /nfs/dbraw/zinc/53/90/43/704539043.db2.gz JZYGBHQKMXLJGP-JQWIXIFHSA-N 1 1 309.322 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000821955462 704847789 /nfs/dbraw/zinc/84/77/89/704847789.db2.gz RFDCLAXUZKKRFA-OAHLLOKOSA-N 1 1 307.350 1.008 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822635020 704993541 /nfs/dbraw/zinc/99/35/41/704993541.db2.gz NIHXJYUIZDOBAQ-VIFPVBQESA-N 1 1 321.293 1.180 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970664 705347451 /nfs/dbraw/zinc/34/74/51/705347451.db2.gz GTSFGJNGYMAYJE-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000862788448 705798144 /nfs/dbraw/zinc/79/81/44/705798144.db2.gz CVSGDGAAHYKAMU-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794749 705800322 /nfs/dbraw/zinc/80/03/22/705800322.db2.gz HARPOQYTXYZJGK-SWLSCSKDSA-N 1 1 321.377 1.476 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137219 705937818 /nfs/dbraw/zinc/93/78/18/705937818.db2.gz VHAHOYQPYMMQOU-ILXRZTDVSA-N 1 1 303.362 1.909 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321177 705974928 /nfs/dbraw/zinc/97/49/28/705974928.db2.gz USKDPSJOXSECDK-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321177 705974930 /nfs/dbraw/zinc/97/49/30/705974930.db2.gz USKDPSJOXSECDK-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321177 705974932 /nfs/dbraw/zinc/97/49/32/705974932.db2.gz USKDPSJOXSECDK-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000877485245 706120176 /nfs/dbraw/zinc/12/01/76/706120176.db2.gz NNQOUNWGBJULCG-MRXNPFEDSA-N 1 1 303.362 1.924 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829455185 706336463 /nfs/dbraw/zinc/33/64/63/706336463.db2.gz LCKGZXLVLWIIND-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO CN(C)C(=O)OCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865940413 706571181 /nfs/dbraw/zinc/57/11/81/706571181.db2.gz CGDSVEUCRLSNAL-UHFFFAOYSA-N 1 1 304.306 1.675 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880318445 706939347 /nfs/dbraw/zinc/93/93/47/706939347.db2.gz ZEQFUSSTOJCZJY-JQWIXIFHSA-N 1 1 323.378 1.098 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433022 706974453 /nfs/dbraw/zinc/97/44/53/706974453.db2.gz SSEABQYWVCCHAV-RRFJBIMHSA-N 1 1 310.350 1.364 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881996101 707459425 /nfs/dbraw/zinc/45/94/25/707459425.db2.gz IMBBMMZDTQLEBL-UHFFFAOYSA-N 1 1 306.301 1.189 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000882485343 707655954 /nfs/dbraw/zinc/65/59/54/707655954.db2.gz HNSZBBPQTVHMKM-LLVKDONJSA-N 1 1 302.334 1.900 20 5 DDBDMO Cc1c(CNC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000873128783 707742248 /nfs/dbraw/zinc/74/22/48/707742248.db2.gz DJOLSMUDWAVFMC-HNNXBMFYSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1c(CNC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000873128783 707742253 /nfs/dbraw/zinc/74/22/53/707742253.db2.gz DJOLSMUDWAVFMC-HNNXBMFYSA-N 1 1 307.394 1.840 20 5 DDBDMO COC(=O)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000886012462 708681626 /nfs/dbraw/zinc/68/16/26/708681626.db2.gz ILTNJUOTHNWZBC-CYBMUJFWSA-N 1 1 323.349 1.534 20 5 DDBDMO COC(=O)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000886012462 708681629 /nfs/dbraw/zinc/68/16/29/708681629.db2.gz ILTNJUOTHNWZBC-CYBMUJFWSA-N 1 1 323.349 1.534 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000912608367 713047678 /nfs/dbraw/zinc/04/76/78/713047678.db2.gz TYPZPTSIRZYHRM-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000886176626 708710642 /nfs/dbraw/zinc/71/06/42/708710642.db2.gz HIKNVCGBDBDDDN-BETUJISGSA-N 1 1 308.382 1.531 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000886176626 708710644 /nfs/dbraw/zinc/71/06/44/708710644.db2.gz HIKNVCGBDBDDDN-BETUJISGSA-N 1 1 308.382 1.531 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000886268939 708733288 /nfs/dbraw/zinc/73/32/88/708733288.db2.gz GBWBUAYDQRMJJW-QWHCGFSZSA-N 1 1 305.334 1.621 20 5 DDBDMO CN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888989530 709424389 /nfs/dbraw/zinc/42/43/89/709424389.db2.gz PPBZNUQLNPFRFQ-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888989530 709424390 /nfs/dbraw/zinc/42/43/90/709424390.db2.gz PPBZNUQLNPFRFQ-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928444671 713199168 /nfs/dbraw/zinc/19/91/68/713199168.db2.gz LQNYSNGWTNEZQQ-NEPJUHHUSA-N 1 1 307.350 1.573 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000893685461 710777096 /nfs/dbraw/zinc/77/70/96/710777096.db2.gz NYDPIBKBZFFHBN-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C)cc1OC ZINC000928566292 713230875 /nfs/dbraw/zinc/23/08/75/713230875.db2.gz FBBMLUVUDNBELW-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C)cc1OC ZINC000928566292 713230876 /nfs/dbraw/zinc/23/08/76/713230876.db2.gz FBBMLUVUDNBELW-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000928571268 713233618 /nfs/dbraw/zinc/23/36/18/713233618.db2.gz KPZFJCIUAZOXRP-MRVPVSSYSA-N 1 1 301.705 1.821 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000928571268 713233621 /nfs/dbraw/zinc/23/36/21/713233621.db2.gz KPZFJCIUAZOXRP-MRVPVSSYSA-N 1 1 301.705 1.821 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000928569207 713232656 /nfs/dbraw/zinc/23/26/56/713232656.db2.gz LGPGDUFKVBASMC-CQSZACIVSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000928569207 713232657 /nfs/dbraw/zinc/23/26/57/713232657.db2.gz LGPGDUFKVBASMC-CQSZACIVSA-N 1 1 315.333 1.214 20 5 DDBDMO C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643915 712104998 /nfs/dbraw/zinc/10/49/98/712104998.db2.gz OLJQCUOLNWWVKV-KBPBESRZSA-N 1 1 307.394 1.745 20 5 DDBDMO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643915 712105001 /nfs/dbraw/zinc/10/50/01/712105001.db2.gz OLJQCUOLNWWVKV-KBPBESRZSA-N 1 1 307.394 1.745 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000929119528 713550579 /nfs/dbraw/zinc/55/05/79/713550579.db2.gz NSWQEECPHOLZLZ-TXEJJXNPSA-N 1 1 304.350 1.929 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000931402702 714086349 /nfs/dbraw/zinc/08/63/49/714086349.db2.gz XGKPRDMFWMPCAI-ZDUSSCGKSA-N 1 1 309.366 1.102 20 5 DDBDMO COC1(OC)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000931639134 714146486 /nfs/dbraw/zinc/14/64/86/714146486.db2.gz HRXSNKGRYHOMBD-SMDDNHRTSA-N 1 1 310.350 1.712 20 5 DDBDMO COC(=O)C[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000932099098 714258011 /nfs/dbraw/zinc/25/80/11/714258011.db2.gz JIBFGPUCWDCDLX-ZYHUDNBSSA-N 1 1 310.354 1.231 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348343 714315680 /nfs/dbraw/zinc/31/56/80/714315680.db2.gz MVJBYCKZTWJVDC-OCCSQVGLSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933560409 714617355 /nfs/dbraw/zinc/61/73/55/714617355.db2.gz UWINTAAYUBDXEA-DFBGVHRSSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933560409 714617357 /nfs/dbraw/zinc/61/73/57/714617357.db2.gz UWINTAAYUBDXEA-DFBGVHRSSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925343009 714820600 /nfs/dbraw/zinc/82/06/00/714820600.db2.gz KVTHVQZDCIDNMQ-JSGCOSHPSA-N 1 1 320.393 1.871 20 5 DDBDMO Cc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922021 721849558 /nfs/dbraw/zinc/84/95/58/721849558.db2.gz PQLPXMCEHCNYNH-UONOGXRCSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922021 721849559 /nfs/dbraw/zinc/84/95/59/721849559.db2.gz PQLPXMCEHCNYNH-UONOGXRCSA-N 1 1 319.409 1.513 20 5 DDBDMO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)CC1 ZINC001025799451 736859609 /nfs/dbraw/zinc/85/96/09/736859609.db2.gz OVFXJSWCWZKPHF-NHAGDIPZSA-N 1 1 315.373 1.941 20 5 DDBDMO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063676 734368207 /nfs/dbraw/zinc/36/82/07/734368207.db2.gz GNULRKCVNQEIFE-AYRXBEOTSA-N 1 1 319.361 1.097 20 5 DDBDMO Cc1[nH+]c(N)ccc1CNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167782203 738351276 /nfs/dbraw/zinc/35/12/76/738351276.db2.gz RYVMVZPVKGVAPP-UHFFFAOYSA-N 1 1 309.713 1.779 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC001168307732 742173481 /nfs/dbraw/zinc/17/34/81/742173481.db2.gz FCNAZJANKUYLEA-ZDUSSCGKSA-N 1 1 304.350 1.847 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001183658329 743888505 /nfs/dbraw/zinc/88/85/05/743888505.db2.gz GTFRAAOPXYYTLB-UHFFFAOYSA-N 1 1 309.370 1.241 20 5 DDBDMO O=C1OCC[C@]12CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198810255 747619838 /nfs/dbraw/zinc/61/98/38/747619838.db2.gz MIHWBCPFLRBZEH-HNNXBMFYSA-N 1 1 306.318 1.613 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018270 762199257 /nfs/dbraw/zinc/19/92/57/762199257.db2.gz ALHFUMMMBAYKHI-AGIUHOORSA-N 1 1 323.397 1.196 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018270 762199264 /nfs/dbraw/zinc/19/92/64/762199264.db2.gz ALHFUMMMBAYKHI-AGIUHOORSA-N 1 1 323.397 1.196 20 5 DDBDMO CCn1cc2c(n1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@H]2COC ZINC001169019273 762199362 /nfs/dbraw/zinc/19/93/62/762199362.db2.gz HCZSONFZAQHBIR-HZSPNIEDSA-N 1 1 322.409 1.894 20 5 DDBDMO CCn1cc2c(n1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@H]2COC ZINC001169019273 762199366 /nfs/dbraw/zinc/19/93/66/762199366.db2.gz HCZSONFZAQHBIR-HZSPNIEDSA-N 1 1 322.409 1.894 20 5 DDBDMO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020139367 760613682 /nfs/dbraw/zinc/61/36/82/760613682.db2.gz ZJUNEQVMXPERPY-KBUPBQIOSA-N 1 1 303.362 1.397 20 5 DDBDMO CC1(C)CC(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001086084242 760945223 /nfs/dbraw/zinc/94/52/23/760945223.db2.gz JEBHUHAPTRBUGP-YXCITZCRSA-N 1 1 309.410 1.572 20 5 DDBDMO O=C(NCC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399240 762825253 /nfs/dbraw/zinc/82/52/53/762825253.db2.gz KIFRCXRWFWYWDP-QBEVBOACSA-N 1 1 301.774 1.232 20 5 DDBDMO C=C/C(C)=C/CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132516430 768945123 /nfs/dbraw/zinc/94/51/23/768945123.db2.gz ZLHINGACFRUNIB-VZUCSPMQSA-N 1 1 307.354 1.057 20 5 DDBDMO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c(C)n2)CC[NH2+]C1 ZINC001159453404 771434991 /nfs/dbraw/zinc/43/49/91/771434991.db2.gz PDLQIIHJMWSXFD-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922230 772211063 /nfs/dbraw/zinc/21/10/63/772211063.db2.gz AMYYMIPUZRVKFL-YGRLFVJLSA-N 1 1 306.366 1.589 20 5 DDBDMO NC(=O)[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172918316 776931032 /nfs/dbraw/zinc/93/10/32/776931032.db2.gz AQYYADJFOYGECL-ZFWWWQNUSA-N 1 1 319.361 1.028 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCn3nncc3C1)CC2 ZINC001172920576 776931085 /nfs/dbraw/zinc/93/10/85/776931085.db2.gz KTLVYNWRQYGPTQ-AWEZNQCLSA-N 1 1 313.361 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCn3nncc3C1)CC2 ZINC001172920576 776931087 /nfs/dbraw/zinc/93/10/87/776931087.db2.gz KTLVYNWRQYGPTQ-AWEZNQCLSA-N 1 1 313.361 1.950 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001173222792 777056076 /nfs/dbraw/zinc/05/60/76/777056076.db2.gz VPBHAYCIMQMLMB-QIJZBDPFSA-N 1 1 320.389 1.998 20 5 DDBDMO COC(=O)N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225961 777061506 /nfs/dbraw/zinc/06/15/06/777061506.db2.gz KIXJOVHVAHCPIF-LBPRGKRZSA-N 1 1 307.350 1.910 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173227211 777062416 /nfs/dbraw/zinc/06/24/16/777062416.db2.gz OJTNPPXIAJJMPZ-FZMZJTMJSA-N 1 1 312.391 1.645 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173227211 777062418 /nfs/dbraw/zinc/06/24/18/777062418.db2.gz OJTNPPXIAJJMPZ-FZMZJTMJSA-N 1 1 312.391 1.645 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230956 777063870 /nfs/dbraw/zinc/06/38/70/777063870.db2.gz GYMSYWLIQDHJTM-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230956 777063873 /nfs/dbraw/zinc/06/38/73/777063873.db2.gz GYMSYWLIQDHJTM-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H](O)C3(CC3)C1)OCCO2 ZINC001116696703 780545660 /nfs/dbraw/zinc/54/56/60/780545660.db2.gz RNBCSLYMGPHZJY-CQSZACIVSA-N 1 1 306.318 1.323 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H](O)C3(CC3)C1)OCCO2 ZINC001116696703 780545663 /nfs/dbraw/zinc/54/56/63/780545663.db2.gz RNBCSLYMGPHZJY-CQSZACIVSA-N 1 1 306.318 1.323 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCn3nncc3C2)ncc1[N+](=O)[O-] ZINC001154822836 861486864 /nfs/dbraw/zinc/48/68/64/861486864.db2.gz VHDCIHGWWVGOJA-ONEGZZNKSA-N 1 1 315.337 1.134 20 5 DDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]1[NH2+]C ZINC001156637198 863219164 /nfs/dbraw/zinc/21/91/64/863219164.db2.gz ATBUONHABMVRRI-MRVPVSSYSA-N 1 1 314.729 1.576 20 5 DDBDMO C[N@@H+](C1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1)[C@H]1CCOC1 ZINC001158726120 864859990 /nfs/dbraw/zinc/85/99/90/864859990.db2.gz PEWNZTMFPYQYSC-VIFPVBQESA-N 1 1 312.757 1.553 20 5 DDBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cn1 ZINC001321242319 867431098 /nfs/dbraw/zinc/43/10/98/867431098.db2.gz CZFLFEVSGXVPTB-UHFFFAOYSA-N 1 1 313.277 1.459 20 5 DDBDMO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001226061420 882184295 /nfs/dbraw/zinc/18/42/95/882184295.db2.gz IRQAEESHARCGLX-VIFPVBQESA-N 1 1 302.352 1.327 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ncc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226129251 882220982 /nfs/dbraw/zinc/22/09/82/882220982.db2.gz ANWJLTHVWYQXFP-XRNSZHNASA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ncc(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001226129251 882220994 /nfs/dbraw/zinc/22/09/94/882220994.db2.gz ANWJLTHVWYQXFP-XRNSZHNASA-N 1 1 311.725 1.826 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cc(NCCn2cc[nH+]c2C)n1 ZINC001163919255 868791675 /nfs/dbraw/zinc/79/16/75/868791675.db2.gz DIAYWBBGTAQFQX-UHFFFAOYSA-N 1 1 305.294 1.393 20 5 DDBDMO O=C(C[NH+]1CCC(CO)CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001336388723 868917257 /nfs/dbraw/zinc/91/72/57/868917257.db2.gz LQWUFOFPTYSBBA-UHFFFAOYSA-N 1 1 319.361 1.141 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H](CO)[C@H](CCO)C3)c2c1 ZINC001336870500 869192071 /nfs/dbraw/zinc/19/20/71/869192071.db2.gz VJABJNMPJXLLOD-NEPJUHHUSA-N 1 1 317.345 1.570 20 5 DDBDMO Cc1nc(N2CCC(c3c[nH+]cn3C)CC2)ncc1[N+](=O)[O-] ZINC001336901449 869209671 /nfs/dbraw/zinc/20/96/71/869209671.db2.gz WRLKHBNTYGZLBQ-UHFFFAOYSA-N 1 1 302.338 1.811 20 5 DDBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001339553467 870552327 /nfs/dbraw/zinc/55/23/27/870552327.db2.gz OKRCWAWNDRWBSE-YPMHNXCESA-N 1 1 320.397 1.045 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340012705 870837395 /nfs/dbraw/zinc/83/73/95/870837395.db2.gz TVFQQSITVPWUBU-STQMWFEESA-N 1 1 324.429 1.426 20 5 DDBDMO O=C(NCC[N@@H+](CCC1CCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317553239 871060504 /nfs/dbraw/zinc/06/05/04/871060504.db2.gz SYHCHXKFWPCHRO-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NCC[N@H+](CCC1CCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001317553239 871060515 /nfs/dbraw/zinc/06/05/15/871060515.db2.gz SYHCHXKFWPCHRO-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NCC[N@@H+](CCC1CCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001317553239 871060531 /nfs/dbraw/zinc/06/05/31/871060531.db2.gz SYHCHXKFWPCHRO-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1c[nH+]c2n1CCC2 ZINC001303550924 871133314 /nfs/dbraw/zinc/13/33/14/871133314.db2.gz FMVVZXKQKCHNAZ-UHFFFAOYSA-N 1 1 318.308 1.736 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340877182 871404440 /nfs/dbraw/zinc/40/44/40/871404440.db2.gz CRXZWLLICMCJAS-SRVKXCTJSA-N 1 1 310.402 1.555 20 5 DDBDMO Cc1noc(C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001308111906 871472751 /nfs/dbraw/zinc/47/27/51/871472751.db2.gz BFGTYOUARRSNCL-GFCCVEGCSA-N 1 1 320.353 1.437 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001308724980 871522258 /nfs/dbraw/zinc/52/22/58/871522258.db2.gz QGNFAWQSTJNTSN-OAHLLOKOSA-N 1 1 321.333 1.021 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001308724980 871522274 /nfs/dbraw/zinc/52/22/74/871522274.db2.gz QGNFAWQSTJNTSN-OAHLLOKOSA-N 1 1 321.333 1.021 20 5 DDBDMO CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001318953774 872365496 /nfs/dbraw/zinc/36/54/96/872365496.db2.gz UJQOSCKOVLASAH-AAVRWANBSA-N 1 1 313.398 1.095 20 5 DDBDMO COc1c(O)ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898352 872427682 /nfs/dbraw/zinc/42/76/82/872427682.db2.gz QVUUNJXGKDNGHX-LLVKDONJSA-N 1 1 321.377 1.883 20 5 DDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227542216 883070839 /nfs/dbraw/zinc/07/08/39/883070839.db2.gz VSCIGPREPUCZMT-SNVBAGLBSA-N 1 1 312.347 1.916 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414036 878545697 /nfs/dbraw/zinc/54/56/97/878545697.db2.gz ASNDSVMJQKZSSC-RYUDHWBXSA-N 1 1 310.402 1.321 20 5 DDBDMO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654010 883598770 /nfs/dbraw/zinc/59/87/70/883598770.db2.gz DLNUXBSTSZTSML-VXGBXAGGSA-N 1 1 315.333 1.994 20 5 DDBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654010 883598774 /nfs/dbraw/zinc/59/87/74/883598774.db2.gz DLNUXBSTSZTSML-VXGBXAGGSA-N 1 1 315.333 1.994 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nc4c[nH]cc([N+](=O)[O-])c-4n3)[C@H]1CC(=O)C2 ZINC001230230134 884382830 /nfs/dbraw/zinc/38/28/30/884382830.db2.gz LJZMMSNYPGQDHQ-KOLSJAJHSA-N 1 1 317.305 1.049 20 5 DDBDMO COC[C@]12COC[C@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254595550 896522657 /nfs/dbraw/zinc/52/26/57/896522657.db2.gz LWNMOLNFIFCDHQ-HYVNUMGLSA-N 1 1 318.373 1.657 20 5 DDBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+](C)C3)c2c1 ZINC001262060198 899922630 /nfs/dbraw/zinc/92/26/30/899922630.db2.gz SOHHWAXEUJMZKK-NSHDSACASA-N 1 1 316.361 1.937 20 5 DDBDMO COc1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272850717 210246917 /nfs/dbraw/zinc/24/69/17/210246917.db2.gz HHWWLDMZFVOCRB-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000451625968 231142572 /nfs/dbraw/zinc/14/25/72/231142572.db2.gz QXOIDGAKHWVGIJ-IINYFYTJSA-N 1 1 309.341 1.878 20 5 DDBDMO CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000495224768 529443398 /nfs/dbraw/zinc/44/33/98/529443398.db2.gz NQILQEBMMRGVCA-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000495224768 529443399 /nfs/dbraw/zinc/44/33/99/529443399.db2.gz NQILQEBMMRGVCA-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072385 231290693 /nfs/dbraw/zinc/29/06/93/231290693.db2.gz WPPMAFWQJZSQIP-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072385 231290696 /nfs/dbraw/zinc/29/06/96/231290696.db2.gz WPPMAFWQJZSQIP-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248530 529485496 /nfs/dbraw/zinc/48/54/96/529485496.db2.gz DEGIQWNYCRFFRP-JGGQBBKZSA-N 1 1 324.377 1.427 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295617872 529790043 /nfs/dbraw/zinc/79/00/43/529790043.db2.gz WBGMAYDCMJKPMM-CYBMUJFWSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295617872 529790044 /nfs/dbraw/zinc/79/00/44/529790044.db2.gz WBGMAYDCMJKPMM-CYBMUJFWSA-N 1 1 302.334 1.886 20 5 DDBDMO CC(C)(O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267422392 282307147 /nfs/dbraw/zinc/30/71/47/282307147.db2.gz KYNYLQQWBKPQTI-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000285287739 282343116 /nfs/dbraw/zinc/34/31/16/282343116.db2.gz RBORNJOXOCJFJG-JSGCOSHPSA-N 1 1 323.349 1.092 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000285287739 282343118 /nfs/dbraw/zinc/34/31/18/282343118.db2.gz RBORNJOXOCJFJG-JSGCOSHPSA-N 1 1 323.349 1.092 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295159546 282363723 /nfs/dbraw/zinc/36/37/23/282363723.db2.gz SAVKNRQRDNWELI-BBRMVZONSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000272670738 210076253 /nfs/dbraw/zinc/07/62/53/210076253.db2.gz KNLJKQDYOPFQJW-GXSJLCMTSA-N 1 1 305.334 1.655 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000272670738 210076257 /nfs/dbraw/zinc/07/62/57/210076257.db2.gz KNLJKQDYOPFQJW-GXSJLCMTSA-N 1 1 305.334 1.655 20 5 DDBDMO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272663218 210066611 /nfs/dbraw/zinc/06/66/11/210066611.db2.gz IFNLNRGLFWEVJV-VXGBXAGGSA-N 1 1 307.350 1.903 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)ccc1[N+](=O)[O-] ZINC000459628649 233385320 /nfs/dbraw/zinc/38/53/20/233385320.db2.gz FZYYTZXMRQUGDU-HNNXBMFYSA-N 1 1 310.350 1.313 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@@](O)(CO)C2)ccc1[N+](=O)[O-] ZINC000459628649 233385326 /nfs/dbraw/zinc/38/53/26/233385326.db2.gz FZYYTZXMRQUGDU-HNNXBMFYSA-N 1 1 310.350 1.313 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000152434509 186072488 /nfs/dbraw/zinc/07/24/88/186072488.db2.gz LVEFHICVUXKXLC-CMDGGOBGSA-N 1 1 321.377 1.693 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000159744545 186139469 /nfs/dbraw/zinc/13/94/69/186139469.db2.gz YPFTXDLGCOCICW-LBPRGKRZSA-N 1 1 307.350 1.257 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000601253526 358464558 /nfs/dbraw/zinc/46/45/58/358464558.db2.gz UMWRAHMRWVICKV-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCOCC1 ZINC000041887898 352317211 /nfs/dbraw/zinc/31/72/11/352317211.db2.gz SKNPQDKWEOWRIE-GFCCVEGCSA-N 1 1 324.381 1.400 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072713436 191218770 /nfs/dbraw/zinc/21/87/70/191218770.db2.gz NCZPOONWYQDALE-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072713436 191218773 /nfs/dbraw/zinc/21/87/73/191218773.db2.gz NCZPOONWYQDALE-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000054223573 352683866 /nfs/dbraw/zinc/68/38/66/352683866.db2.gz YMVARTYMFFTHGZ-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055669234 352740254 /nfs/dbraw/zinc/74/02/54/352740254.db2.gz SCSQBYRJYNRQLF-UHFFFAOYSA-N 1 1 319.361 1.771 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491577358 234207543 /nfs/dbraw/zinc/20/75/43/234207543.db2.gz VRKSHLLSOWRYBQ-VLWUPBBWSA-N 1 1 307.325 1.910 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000173808634 198255040 /nfs/dbraw/zinc/25/50/40/198255040.db2.gz BIYYJSQIIFIPFK-LBPRGKRZSA-N 1 1 323.397 1.441 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665147 353207803 /nfs/dbraw/zinc/20/78/03/353207803.db2.gz OLISUYIMNXPWKY-LLVKDONJSA-N 1 1 319.365 1.097 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665147 353207807 /nfs/dbraw/zinc/20/78/07/353207807.db2.gz OLISUYIMNXPWKY-LLVKDONJSA-N 1 1 319.365 1.097 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000076002448 353389911 /nfs/dbraw/zinc/38/99/11/353389911.db2.gz WMEJLPXMBQAWOM-LLVKDONJSA-N 1 1 313.379 1.497 20 5 DDBDMO Nc1nc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000078527211 353521364 /nfs/dbraw/zinc/52/13/64/353521364.db2.gz QNGSKOKPQVXHCT-LLVKDONJSA-N 1 1 306.370 1.643 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000087191151 353747906 /nfs/dbraw/zinc/74/79/06/353747906.db2.gz CDHUZOQHUQWXIL-ZDUSSCGKSA-N 1 1 303.362 1.880 20 5 DDBDMO C[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470811 354368856 /nfs/dbraw/zinc/36/88/56/354368856.db2.gz VJYJQXLRXJWSBF-BFHYXJOUSA-N 1 1 324.377 1.570 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067833 354899458 /nfs/dbraw/zinc/89/94/58/354899458.db2.gz UAZIYASEKBKKHS-LLVKDONJSA-N 1 1 315.333 1.578 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C)(CO)CC2)c1 ZINC000589512003 354997786 /nfs/dbraw/zinc/99/77/86/354997786.db2.gz SJDLAGRRDCQGKI-UHFFFAOYSA-N 1 1 322.361 1.976 20 5 DDBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H](C)[N@@H+]1C ZINC000590146262 355054057 /nfs/dbraw/zinc/05/40/57/355054057.db2.gz ACHZVDSZDWZAPH-AOOOYVTPSA-N 1 1 317.349 1.772 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000590548459 355111232 /nfs/dbraw/zinc/11/12/32/355111232.db2.gz FBVBGUNVRJWQIY-CHWSQXEVSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccnc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000590572136 355117547 /nfs/dbraw/zinc/11/75/47/355117547.db2.gz WRUBQANXSYSZHD-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000593061928 355783515 /nfs/dbraw/zinc/78/35/15/355783515.db2.gz VPQABKZFSHYHGU-LSDHHAIUSA-N 1 1 324.377 1.964 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000593061928 355783520 /nfs/dbraw/zinc/78/35/20/355783520.db2.gz VPQABKZFSHYHGU-LSDHHAIUSA-N 1 1 324.377 1.964 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000594067155 356104453 /nfs/dbraw/zinc/10/44/53/356104453.db2.gz YSLSFIKXAWSMKR-JTQLQIEISA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594067155 356104458 /nfs/dbraw/zinc/10/44/58/356104458.db2.gz YSLSFIKXAWSMKR-JTQLQIEISA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCF ZINC000595040802 356376184 /nfs/dbraw/zinc/37/61/84/356376184.db2.gz XWBNLDADXVHTAV-UWVGGRQHSA-N 1 1 313.329 1.728 20 5 DDBDMO Cc1noc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000595348795 356458413 /nfs/dbraw/zinc/45/84/13/356458413.db2.gz VJOGVFCDQKGBKD-LBPRGKRZSA-N 1 1 311.338 1.661 20 5 DDBDMO COc1ccc(OCCN(C)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000595596833 356568717 /nfs/dbraw/zinc/56/87/17/356568717.db2.gz ONBUVYXLPPHZPQ-UHFFFAOYSA-N 1 1 306.322 1.837 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595661224 356597175 /nfs/dbraw/zinc/59/71/75/356597175.db2.gz JYEZQONNJOPOCF-OAHLLOKOSA-N 1 1 310.350 1.447 20 5 DDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595664633 356599470 /nfs/dbraw/zinc/59/94/70/356599470.db2.gz RGYLCKKEVNKDQA-NWDGAFQWSA-N 1 1 314.725 1.668 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC(=O)N(C)CC2)ccc1[N+](=O)[O-] ZINC000595775045 356647620 /nfs/dbraw/zinc/64/76/20/356647620.db2.gz ZKDQADXERNCCIZ-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC(=O)N(C)CC2)ccc1[N+](=O)[O-] ZINC000595775045 356647625 /nfs/dbraw/zinc/64/76/25/356647625.db2.gz ZKDQADXERNCCIZ-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595780021 356649622 /nfs/dbraw/zinc/64/96/22/356649622.db2.gz BPKBXBNZYIBNQE-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835109 356671691 /nfs/dbraw/zinc/67/16/91/356671691.db2.gz UNVHUHAKPXALEJ-CHWSQXEVSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595835109 356671694 /nfs/dbraw/zinc/67/16/94/356671694.db2.gz UNVHUHAKPXALEJ-CHWSQXEVSA-N 1 1 319.361 1.810 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595824916 356665051 /nfs/dbraw/zinc/66/50/51/356665051.db2.gz AELLCGSNQNJQGK-CQSZACIVSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595824916 356665058 /nfs/dbraw/zinc/66/50/58/356665058.db2.gz AELLCGSNQNJQGK-CQSZACIVSA-N 1 1 306.366 1.783 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1C ZINC000347202610 283207221 /nfs/dbraw/zinc/20/72/21/283207221.db2.gz KTMUWLZPDKJMIW-JQWIXIFHSA-N 1 1 308.334 1.987 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595868887 356684732 /nfs/dbraw/zinc/68/47/32/356684732.db2.gz BYLHVNQMQXXRLP-HSMVNMDESA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595868887 356684735 /nfs/dbraw/zinc/68/47/35/356684735.db2.gz BYLHVNQMQXXRLP-HSMVNMDESA-N 1 1 321.377 1.872 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596141634 356788934 /nfs/dbraw/zinc/78/89/34/356788934.db2.gz ILHHAVQUNFXOQX-GFCCVEGCSA-N 1 1 320.393 1.862 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151943 356792620 /nfs/dbraw/zinc/79/26/20/356792620.db2.gz MYSZBNFUPDOZAV-GXFFZTMASA-N 1 1 306.366 1.470 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596439117 356881700 /nfs/dbraw/zinc/88/17/00/356881700.db2.gz BNMKEAILIVVVHF-NSHDSACASA-N 1 1 308.382 1.784 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000596537542 356910241 /nfs/dbraw/zinc/91/02/41/356910241.db2.gz HLZGFFADSCEVTG-AWEZNQCLSA-N 1 1 320.393 1.642 20 5 DDBDMO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944538 357393981 /nfs/dbraw/zinc/39/39/81/357393981.db2.gz DVPSDXDCQYHLAB-CYBMUJFWSA-N 1 1 321.377 1.699 20 5 DDBDMO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000598668054 357678453 /nfs/dbraw/zinc/67/84/53/357678453.db2.gz OOELQRKTFWLWFA-RFAUZJTJSA-N 1 1 315.333 1.425 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647124 357669426 /nfs/dbraw/zinc/66/94/26/357669426.db2.gz BUTVSAKFMWVEFV-CHWSQXEVSA-N 1 1 324.377 1.933 20 5 DDBDMO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000599132126 357824929 /nfs/dbraw/zinc/82/49/29/357824929.db2.gz XWHMXONGCCPPFF-MRXNPFEDSA-N 1 1 321.377 1.623 20 5 DDBDMO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000599132126 357824932 /nfs/dbraw/zinc/82/49/32/357824932.db2.gz XWHMXONGCCPPFF-MRXNPFEDSA-N 1 1 321.377 1.623 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000598976972 357781145 /nfs/dbraw/zinc/78/11/45/357781145.db2.gz XFHWBEUCXTXRBB-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC1(O)CCC1 ZINC000599404073 357923655 /nfs/dbraw/zinc/92/36/55/357923655.db2.gz GZZFXKDGQNKSGV-OAHLLOKOSA-N 1 1 308.378 1.735 20 5 DDBDMO C[C@]1(CO)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599624942 357997416 /nfs/dbraw/zinc/99/74/16/357997416.db2.gz ZQEHTKRHPMPOSU-IYBDPMFKSA-N 1 1 308.378 1.450 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571753 357978932 /nfs/dbraw/zinc/97/89/32/357978932.db2.gz ULOGSQVZDHWGFT-UHFFFAOYSA-N 1 1 323.349 1.510 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571753 357978937 /nfs/dbraw/zinc/97/89/37/357978937.db2.gz ULOGSQVZDHWGFT-UHFFFAOYSA-N 1 1 323.349 1.510 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c1 ZINC000599674873 358020852 /nfs/dbraw/zinc/02/08/52/358020852.db2.gz LTDRDGHDTKEINH-VXGBXAGGSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CO)C[C@H]2C)c1 ZINC000599674873 358020854 /nfs/dbraw/zinc/02/08/54/358020854.db2.gz LTDRDGHDTKEINH-VXGBXAGGSA-N 1 1 322.361 1.974 20 5 DDBDMO C[C@H]1CO[C@@H](CO)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131507 358415049 /nfs/dbraw/zinc/41/50/49/358415049.db2.gz ZMDDOVADHKCTCQ-CMPLNLGQSA-N 1 1 303.318 1.729 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601957865 358752930 /nfs/dbraw/zinc/75/29/30/358752930.db2.gz KPTPRVJEWPQDPT-MRXNPFEDSA-N 1 1 316.361 1.737 20 5 DDBDMO Cn1cc(CN2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602451732 358986268 /nfs/dbraw/zinc/98/62/68/358986268.db2.gz GPLZAPJGPUHXQR-UHFFFAOYSA-N 1 1 307.398 1.779 20 5 DDBDMO Cn1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484131 359009947 /nfs/dbraw/zinc/00/99/47/359009947.db2.gz HPIFYHOSWNSOLR-SWLSCSKDSA-N 1 1 319.409 1.777 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997842 359345893 /nfs/dbraw/zinc/34/58/93/359345893.db2.gz RXEPSEKECZRDHI-ILXRZTDVSA-N 1 1 321.377 1.382 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609269455 360286198 /nfs/dbraw/zinc/28/61/98/360286198.db2.gz QZNBVVCFFCBFAW-LLVKDONJSA-N 1 1 313.379 1.497 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000610240010 360395798 /nfs/dbraw/zinc/39/57/98/360395798.db2.gz VBYPZTSXGDZLIX-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611513694 360742684 /nfs/dbraw/zinc/74/26/84/360742684.db2.gz WGFKQGQMDFWOSL-JTQLQIEISA-N 1 1 307.306 1.148 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561473 360760851 /nfs/dbraw/zinc/76/08/51/360760851.db2.gz JKYVDYALLWVJPW-QWRGUYRKSA-N 1 1 308.334 1.569 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287257 216212931 /nfs/dbraw/zinc/21/29/31/216212931.db2.gz GTLNBITZTVPLCQ-CABCVRRESA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)nn1 ZINC000611973493 360877521 /nfs/dbraw/zinc/87/75/21/360877521.db2.gz JEWCBOLBDMQVIL-SNVBAGLBSA-N 1 1 318.337 1.230 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903269 363789786 /nfs/dbraw/zinc/78/97/86/363789786.db2.gz NKXYOEHZVXUTNH-UHFFFAOYSA-N 1 1 317.349 1.649 20 5 DDBDMO CNC(=O)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194018533 201164078 /nfs/dbraw/zinc/16/40/78/201164078.db2.gz NQFKVPNXZSXEJP-UHFFFAOYSA-N 1 1 310.310 1.461 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194018533 201164081 /nfs/dbraw/zinc/16/40/81/201164081.db2.gz NQFKVPNXZSXEJP-UHFFFAOYSA-N 1 1 310.310 1.461 20 5 DDBDMO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000619187187 363926576 /nfs/dbraw/zinc/92/65/76/363926576.db2.gz WDBROXIAHXDXFK-KGLIPLIRSA-N 1 1 319.361 1.403 20 5 DDBDMO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000619187187 363926580 /nfs/dbraw/zinc/92/65/80/363926580.db2.gz WDBROXIAHXDXFK-KGLIPLIRSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000275353038 212285766 /nfs/dbraw/zinc/28/57/66/212285766.db2.gz KDNZTUBVVMWABI-VHSXEESVSA-N 1 1 315.320 1.764 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000275353038 212285769 /nfs/dbraw/zinc/28/57/69/212285769.db2.gz KDNZTUBVVMWABI-VHSXEESVSA-N 1 1 315.320 1.764 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000349779508 284049725 /nfs/dbraw/zinc/04/97/25/284049725.db2.gz VFGXCJHSQSJODT-NSHDSACASA-N 1 1 315.395 1.602 20 5 DDBDMO Cc1c(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264599945 204021096 /nfs/dbraw/zinc/02/10/96/204021096.db2.gz BHGXGTJOXGTKNZ-LBPRGKRZSA-N 1 1 321.381 1.271 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000264671173 204068241 /nfs/dbraw/zinc/06/82/41/204068241.db2.gz YKVUFCCVKGCPLV-LLVKDONJSA-N 1 1 306.366 1.342 20 5 DDBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000264674482 204069442 /nfs/dbraw/zinc/06/94/42/204069442.db2.gz ZJMCYWWHTKPILV-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000265097779 204394112 /nfs/dbraw/zinc/39/41/12/204394112.db2.gz CRXJXIDOXPUXJP-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000265097779 204394116 /nfs/dbraw/zinc/39/41/16/204394116.db2.gz CRXJXIDOXPUXJP-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282470138 217020322 /nfs/dbraw/zinc/02/03/22/217020322.db2.gz KPMVLZVXVTYAIC-CYBMUJFWSA-N 1 1 305.334 1.564 20 5 DDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282470138 217020325 /nfs/dbraw/zinc/02/03/25/217020325.db2.gz KPMVLZVXVTYAIC-CYBMUJFWSA-N 1 1 305.334 1.564 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288285861 220064318 /nfs/dbraw/zinc/06/43/18/220064318.db2.gz GOGRYCBOZDYJQB-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO CCCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000282837837 217283834 /nfs/dbraw/zinc/28/38/34/217283834.db2.gz ZVRTULUZKSTZHR-UHFFFAOYSA-N 1 1 322.365 1.511 20 5 DDBDMO CN(C)c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000267219408 205902276 /nfs/dbraw/zinc/90/22/76/205902276.db2.gz IUJFXPZVJPQTHC-UHFFFAOYSA-N 1 1 304.310 1.281 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000336860617 249269239 /nfs/dbraw/zinc/26/92/39/249269239.db2.gz SOWXHAZUHRGCDQ-JTQLQIEISA-N 1 1 304.350 1.603 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284931016 218240492 /nfs/dbraw/zinc/24/04/92/218240492.db2.gz JBRVTSIGGDWBEG-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000567438727 304219183 /nfs/dbraw/zinc/21/91/83/304219183.db2.gz DPCOCUXGBZUHJR-GFCCVEGCSA-N 1 1 306.366 1.680 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106397022 194206053 /nfs/dbraw/zinc/20/60/53/194206053.db2.gz KJHIBIGMPDLKGI-CQSZACIVSA-N 1 1 307.350 1.124 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000110653651 194347449 /nfs/dbraw/zinc/34/74/49/194347449.db2.gz JZKZGFSZUZCGSZ-VIFPVBQESA-N 1 1 308.294 1.185 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000057700542 184047750 /nfs/dbraw/zinc/04/77/50/184047750.db2.gz HCZBRRPWHKGVRK-SNVBAGLBSA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340982362 251318123 /nfs/dbraw/zinc/31/81/23/251318123.db2.gz YTDXEHQHVMOBQV-PWSUYJOCSA-N 1 1 307.350 1.687 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000341024816 251344869 /nfs/dbraw/zinc/34/48/69/251344869.db2.gz HZPCLTBPOYNTOT-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269104751 207243203 /nfs/dbraw/zinc/24/32/03/207243203.db2.gz BLXKJRCGHSHNLZ-NWDGAFQWSA-N 1 1 321.381 1.193 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000174014518 285112931 /nfs/dbraw/zinc/11/29/31/285112931.db2.gz ONTBZBJYOZXGOM-INIZCTEOSA-N 1 1 305.378 1.891 20 5 DDBDMO CCc1[nH+]ccn1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000158701018 197294558 /nfs/dbraw/zinc/29/45/58/197294558.db2.gz HVDIUTVNUAAPGV-UHFFFAOYSA-N 1 1 318.289 1.721 20 5 DDBDMO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545001 285130026 /nfs/dbraw/zinc/13/00/26/285130026.db2.gz UMYQOPDHALCGJL-NSHDSACASA-N 1 1 322.365 1.303 20 5 DDBDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545001 285130029 /nfs/dbraw/zinc/13/00/29/285130029.db2.gz UMYQOPDHALCGJL-NSHDSACASA-N 1 1 322.365 1.303 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1O ZINC000286501151 219022448 /nfs/dbraw/zinc/02/24/48/219022448.db2.gz MJJOEPKTTUQPIO-UKRRQHHQSA-N 1 1 319.361 1.329 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[C@H](NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423494110 285161993 /nfs/dbraw/zinc/16/19/93/285161993.db2.gz RPTADJVHIPDEGC-CVEARBPZSA-N 1 1 319.405 1.884 20 5 DDBDMO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000157647215 197204222 /nfs/dbraw/zinc/20/42/22/197204222.db2.gz YRNOMQDDUCANHX-LDYMZIIASA-N 1 1 303.322 1.328 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000452112975 533219538 /nfs/dbraw/zinc/21/95/38/533219538.db2.gz HSMUYODBAGPXBE-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO [NH3+]C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414796997 224396270 /nfs/dbraw/zinc/39/62/70/224396270.db2.gz YMTPBLMFGVCPLT-CQSZACIVSA-N 1 1 305.378 1.782 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000569499637 304358833 /nfs/dbraw/zinc/35/88/33/304358833.db2.gz FDAQKTFOVXESFB-CYBMUJFWSA-N 1 1 311.407 1.953 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CCC[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000569499639 304358855 /nfs/dbraw/zinc/35/88/55/304358855.db2.gz FDAQKTFOVXESFB-ZDUSSCGKSA-N 1 1 311.407 1.953 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000069045933 406677534 /nfs/dbraw/zinc/67/75/34/406677534.db2.gz QSNWPMXPANBSSG-CYBMUJFWSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070076739 406809061 /nfs/dbraw/zinc/80/90/61/406809061.db2.gz RUABHDYNFGQKBJ-GHMZBOCLSA-N 1 1 313.379 1.274 20 5 DDBDMO CO[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000076346138 406965786 /nfs/dbraw/zinc/96/57/86/406965786.db2.gz JEWYSQHOHHMHJO-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000076346138 406965789 /nfs/dbraw/zinc/96/57/89/406965789.db2.gz JEWYSQHOHHMHJO-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079338050 407054745 /nfs/dbraw/zinc/05/47/45/407054745.db2.gz MTPFJCKOTWKOPH-ZDUSSCGKSA-N 1 1 320.393 1.632 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000053403976 407168544 /nfs/dbraw/zinc/16/85/44/407168544.db2.gz UYKFXYZSVLTIPU-LBPRGKRZSA-N 1 1 323.397 1.418 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055758204 407207084 /nfs/dbraw/zinc/20/70/84/407207084.db2.gz BSDYXMVATFXHMZ-FRRDWIJNSA-N 1 1 323.397 1.274 20 5 DDBDMO Nc1nc(NCC[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000097474148 407298517 /nfs/dbraw/zinc/29/85/17/407298517.db2.gz RRPAIBJHGZHXLW-UHFFFAOYSA-N 1 1 314.349 1.437 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000098104764 407306029 /nfs/dbraw/zinc/30/60/29/407306029.db2.gz SYARJVSSKLPADA-JTQLQIEISA-N 1 1 309.370 1.241 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000108340213 407384714 /nfs/dbraw/zinc/38/47/14/407384714.db2.gz FHKXVIWLIHAZIB-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)CC1(C)C ZINC000271076799 407503591 /nfs/dbraw/zinc/50/35/91/407503591.db2.gz XFDZWTCUAMUWNQ-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](CO)C3)n2)c1 ZINC000265924703 407510885 /nfs/dbraw/zinc/51/08/85/407510885.db2.gz YXINDWPOEMONFY-SNVBAGLBSA-N 1 1 304.306 1.459 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](CO)C3)n2)c1 ZINC000265924703 407510892 /nfs/dbraw/zinc/51/08/92/407510892.db2.gz YXINDWPOEMONFY-SNVBAGLBSA-N 1 1 304.306 1.459 20 5 DDBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000179035778 407697978 /nfs/dbraw/zinc/69/79/78/407697978.db2.gz OYLXZPNWCCXJKE-NSHDSACASA-N 1 1 309.391 1.648 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186687444 407743766 /nfs/dbraw/zinc/74/37/66/407743766.db2.gz BPXUSMKUXCGTKN-INIZCTEOSA-N 1 1 314.345 1.923 20 5 DDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262250386 407774753 /nfs/dbraw/zinc/77/47/53/407774753.db2.gz IQLDWVVWZUDBJI-GFCCVEGCSA-N 1 1 313.379 1.357 20 5 DDBDMO C[N@@H+](CC1(CO)CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186785031 407768323 /nfs/dbraw/zinc/76/83/23/407768323.db2.gz XPZOUEPNCITEKX-AWEZNQCLSA-N 1 1 319.361 1.404 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccc(F)cc1 ZINC000267310731 407830637 /nfs/dbraw/zinc/83/06/37/407830637.db2.gz ZULYRODSMPJVGF-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO Cc1nn(CCC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000153760558 407896943 /nfs/dbraw/zinc/89/69/43/407896943.db2.gz MERJHNTWXQVHTB-ZDUSSCGKSA-N 1 1 323.397 1.351 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000180530402 407898766 /nfs/dbraw/zinc/89/87/66/407898766.db2.gz TWUVZLYIPOEJHV-MNOVXSKESA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233463 407961588 /nfs/dbraw/zinc/96/15/88/407961588.db2.gz SPFXCJDDDMBGAL-RISCZKNCSA-N 1 1 318.377 1.606 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272527321 407964984 /nfs/dbraw/zinc/96/49/84/407964984.db2.gz IAQOFUNTCFSODX-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154063358 407966569 /nfs/dbraw/zinc/96/65/69/407966569.db2.gz RKRPNULOVPSKQG-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000154063358 407966574 /nfs/dbraw/zinc/96/65/74/407966574.db2.gz RKRPNULOVPSKQG-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276223 407981551 /nfs/dbraw/zinc/98/15/51/407981551.db2.gz WGHODFVLYIRGOD-ABAIWWIYSA-N 1 1 303.362 1.736 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272570166 407988719 /nfs/dbraw/zinc/98/87/19/407988719.db2.gz FTCDKOMRRXAYDK-IUODEOHRSA-N 1 1 319.361 1.526 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672217 408009199 /nfs/dbraw/zinc/00/91/99/408009199.db2.gz TYOQGPOYXPPVKK-GHMZBOCLSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672217 408009204 /nfs/dbraw/zinc/00/92/04/408009204.db2.gz TYOQGPOYXPPVKK-GHMZBOCLSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272672217 408009208 /nfs/dbraw/zinc/00/92/08/408009208.db2.gz TYOQGPOYXPPVKK-GHMZBOCLSA-N 1 1 321.381 1.608 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272937208 408016936 /nfs/dbraw/zinc/01/69/36/408016936.db2.gz LOBTVBQDHRFCOK-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245872947 408088037 /nfs/dbraw/zinc/08/80/37/408088037.db2.gz HEQZTKKFBGNFQS-QWRGUYRKSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000245994030 408116806 /nfs/dbraw/zinc/11/68/06/408116806.db2.gz AAQFGLLOMFVSML-DOMZBBRYSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000245994030 408116812 /nfs/dbraw/zinc/11/68/12/408116812.db2.gz AAQFGLLOMFVSML-DOMZBBRYSA-N 1 1 319.361 1.811 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246253234 408194347 /nfs/dbraw/zinc/19/43/47/408194347.db2.gz TXNAAEADHMYQQJ-GHMZBOCLSA-N 1 1 322.365 1.236 20 5 DDBDMO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000189897479 408131836 /nfs/dbraw/zinc/13/18/36/408131836.db2.gz YCGGCAVWBMVKGD-CYBMUJFWSA-N 1 1 307.394 1.872 20 5 DDBDMO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000182779278 408247843 /nfs/dbraw/zinc/24/78/43/408247843.db2.gz DFGDETZCCSEJPC-GFCCVEGCSA-N 1 1 318.377 1.120 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269302064 408260070 /nfs/dbraw/zinc/26/00/70/408260070.db2.gz USIPWXOTPRHTAA-YGRLFVJLSA-N 1 1 307.350 1.713 20 5 DDBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269302064 408260081 /nfs/dbraw/zinc/26/00/81/408260081.db2.gz USIPWXOTPRHTAA-YGRLFVJLSA-N 1 1 307.350 1.713 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000269489603 408329428 /nfs/dbraw/zinc/32/94/28/408329428.db2.gz LHTFLKMDZJJGKW-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000269489603 408329431 /nfs/dbraw/zinc/32/94/31/408329431.db2.gz LHTFLKMDZJJGKW-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000269489603 408329435 /nfs/dbraw/zinc/32/94/35/408329435.db2.gz LHTFLKMDZJJGKW-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246799091 408341267 /nfs/dbraw/zinc/34/12/67/408341267.db2.gz REURMGBCFKZUCO-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246799091 408341275 /nfs/dbraw/zinc/34/12/75/408341275.db2.gz REURMGBCFKZUCO-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171268644 162211324 /nfs/dbraw/zinc/21/13/24/162211324.db2.gz ZVQQJKGEKXIQBQ-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171439500 162218113 /nfs/dbraw/zinc/21/81/13/162218113.db2.gz KWFHZRSCYZLZJE-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246876042 408357794 /nfs/dbraw/zinc/35/77/94/408357794.db2.gz WJEZXFKEUYGRMU-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246876042 408357799 /nfs/dbraw/zinc/35/77/99/408357799.db2.gz WJEZXFKEUYGRMU-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO COCCC[N@@H+](CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269672027 408384099 /nfs/dbraw/zinc/38/40/99/408384099.db2.gz OIJYPOMPDYHCHJ-HNNXBMFYSA-N 1 1 312.366 1.613 20 5 DDBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176828337 408453384 /nfs/dbraw/zinc/45/33/84/408453384.db2.gz JNMIMAGQVZHVGZ-ZDUSSCGKSA-N 1 1 306.366 1.589 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176828337 408453387 /nfs/dbraw/zinc/45/33/87/408453387.db2.gz JNMIMAGQVZHVGZ-ZDUSSCGKSA-N 1 1 306.366 1.589 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247598772 408497781 /nfs/dbraw/zinc/49/77/81/408497781.db2.gz OVSZKHUTDFOXHO-BPLDGKMQSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247598772 408497785 /nfs/dbraw/zinc/49/77/85/408497785.db2.gz OVSZKHUTDFOXHO-BPLDGKMQSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000248344540 408551491 /nfs/dbraw/zinc/55/14/91/408551491.db2.gz LSQFRHMNRDIBEM-ZJUUUORDSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C ZINC000248344540 408551492 /nfs/dbraw/zinc/55/14/92/408551492.db2.gz LSQFRHMNRDIBEM-ZJUUUORDSA-N 1 1 321.333 1.992 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177213547 408551515 /nfs/dbraw/zinc/55/15/15/408551515.db2.gz CNXGJJXMYGKGBZ-ZYHUDNBSSA-N 1 1 321.381 1.231 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248594661 408593488 /nfs/dbraw/zinc/59/34/88/408593488.db2.gz SNKOIZSTJNTCCX-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248594661 408593491 /nfs/dbraw/zinc/59/34/91/408593491.db2.gz SNKOIZSTJNTCCX-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000192772081 408643939 /nfs/dbraw/zinc/64/39/39/408643939.db2.gz VAXRZWNHCYKEPM-HNNXBMFYSA-N 1 1 308.382 1.946 20 5 DDBDMO C[C@H](CO)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248955380 408667952 /nfs/dbraw/zinc/66/79/52/408667952.db2.gz QCZUFQJSBNLLME-OLZOCXBDSA-N 1 1 312.366 1.427 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177769368 408708057 /nfs/dbraw/zinc/70/80/57/408708057.db2.gz WFTIFYXRHNYCBL-OLZOCXBDSA-N 1 1 321.381 1.185 20 5 DDBDMO Cc1cc([N+](=O)[O-])nn1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000184767552 408685941 /nfs/dbraw/zinc/68/59/41/408685941.db2.gz XNKFPHAXEVZWNE-HNNXBMFYSA-N 1 1 316.361 1.519 20 5 DDBDMO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185311917 408794192 /nfs/dbraw/zinc/79/41/92/408794192.db2.gz RSTQQFAUUHFCAQ-HNNXBMFYSA-N 1 1 323.393 1.896 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000249737610 408758735 /nfs/dbraw/zinc/75/87/35/408758735.db2.gz GDHHXCFIRXVDHA-MNOVXSKESA-N 1 1 322.365 1.546 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167409 408773673 /nfs/dbraw/zinc/77/36/73/408773673.db2.gz IBMMZVQTLRBKMH-NSHDSACASA-N 1 1 311.313 1.519 20 5 DDBDMO NC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000290986577 408856306 /nfs/dbraw/zinc/85/63/06/408856306.db2.gz SKENCUVPBAIZIN-NSHDSACASA-N 1 1 319.365 1.518 20 5 DDBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000281453509 408886611 /nfs/dbraw/zinc/88/66/11/408886611.db2.gz QRZRRBBFVYUDAE-ZDUSSCGKSA-N 1 1 304.354 1.752 20 5 DDBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000281453509 408886613 /nfs/dbraw/zinc/88/66/13/408886613.db2.gz QRZRRBBFVYUDAE-ZDUSSCGKSA-N 1 1 304.354 1.752 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000291757936 408918822 /nfs/dbraw/zinc/91/88/22/408918822.db2.gz UOCMNPPLXIUUFI-INIZCTEOSA-N 1 1 318.377 1.832 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[N@H+](CCO)CC1 ZINC000291805457 408925563 /nfs/dbraw/zinc/92/55/63/408925563.db2.gz FBLKZFMCKAHAFY-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CCN(C)C)CC1 ZINC000192491496 163225350 /nfs/dbraw/zinc/22/53/50/163225350.db2.gz OVCWCUHPZQBMDU-UHFFFAOYSA-N 1 1 324.429 1.558 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193621973 163262449 /nfs/dbraw/zinc/26/24/49/163262449.db2.gz IOIKFPBAXHVGFH-RWMBFGLXSA-N 1 1 318.377 1.415 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277508390 408954230 /nfs/dbraw/zinc/95/42/30/408954230.db2.gz KRUFBJJJAMRANU-LBPRGKRZSA-N 1 1 318.377 1.924 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCn1cc[nH+]c1C ZINC000277625038 408979503 /nfs/dbraw/zinc/97/95/03/408979503.db2.gz RHYAORFWUJCOLP-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO CN(C)S(=O)(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292247457 409009425 /nfs/dbraw/zinc/00/94/25/409009425.db2.gz XJNYCJHENXCYEF-UHFFFAOYSA-N 1 1 315.395 1.311 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000292247478 409009716 /nfs/dbraw/zinc/00/97/16/409009716.db2.gz XKWDKKCJAABYRE-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000278814248 409094612 /nfs/dbraw/zinc/09/46/12/409094612.db2.gz SOUQIJLIJFPBQK-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO O=c1[n-]nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912246 409238219 /nfs/dbraw/zinc/23/82/19/409238219.db2.gz GCMXKRCZPFAPHK-LLVKDONJSA-N 1 1 304.306 1.651 20 5 DDBDMO O=c1[n-]nc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912246 409238220 /nfs/dbraw/zinc/23/82/20/409238220.db2.gz GCMXKRCZPFAPHK-LLVKDONJSA-N 1 1 304.306 1.651 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466457 409277537 /nfs/dbraw/zinc/27/75/37/409277537.db2.gz QPLPLBSECSBTNL-GFCCVEGCSA-N 1 1 317.349 1.694 20 5 DDBDMO COCCC[N@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229742 409300215 /nfs/dbraw/zinc/30/02/15/409300215.db2.gz UMSDPPXVCFYABN-GFCCVEGCSA-N 1 1 310.398 1.796 20 5 DDBDMO COCCC[N@@H+](C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284229742 409300218 /nfs/dbraw/zinc/30/02/18/409300218.db2.gz UMSDPPXVCFYABN-GFCCVEGCSA-N 1 1 310.398 1.796 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284571797 409351709 /nfs/dbraw/zinc/35/17/09/409351709.db2.gz OKWSUCKTVFRBON-NEPJUHHUSA-N 1 1 312.757 1.553 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320812487 164043108 /nfs/dbraw/zinc/04/31/08/164043108.db2.gz LEFNVMALUGXGOS-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320812487 164043112 /nfs/dbraw/zinc/04/31/12/164043112.db2.gz LEFNVMALUGXGOS-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320812487 164043114 /nfs/dbraw/zinc/04/31/14/164043114.db2.gz LEFNVMALUGXGOS-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000324467572 164050762 /nfs/dbraw/zinc/05/07/62/164050762.db2.gz ZFTVOBTWXUSMDM-LBPRGKRZSA-N 1 1 317.345 1.977 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408386111 164315157 /nfs/dbraw/zinc/31/51/57/164315157.db2.gz NPFRGCFYIJJTNM-LLVKDONJSA-N 1 1 316.365 1.855 20 5 DDBDMO C[C@@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000342711789 409834005 /nfs/dbraw/zinc/83/40/05/409834005.db2.gz AEQFFPACZKOHBT-OAHLLOKOSA-N 1 1 317.349 1.591 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332029418 409817253 /nfs/dbraw/zinc/81/72/53/409817253.db2.gz HUPLBMUBCXJNJY-LSDHHAIUSA-N 1 1 303.362 1.880 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342874088 409966242 /nfs/dbraw/zinc/96/62/42/409966242.db2.gz LBCQJIIGJRFUDP-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986097 410052358 /nfs/dbraw/zinc/05/23/58/410052358.db2.gz AMDUWSZGLVGNDO-GZMMTYOYSA-N 1 1 303.322 1.607 20 5 DDBDMO C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357534211 410090022 /nfs/dbraw/zinc/09/00/22/410090022.db2.gz QSAFVXGTPYHUAP-ZJUUUORDSA-N 1 1 304.350 1.731 20 5 DDBDMO Cc1cccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000339325527 410094821 /nfs/dbraw/zinc/09/48/21/410094821.db2.gz MTLKZMVBEPOREX-MELADBBJSA-N 1 1 324.377 1.752 20 5 DDBDMO COc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000332671548 410202471 /nfs/dbraw/zinc/20/24/71/410202471.db2.gz ZQYJLPVWNKONAF-VXGBXAGGSA-N 1 1 319.361 1.912 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357712959 410204653 /nfs/dbraw/zinc/20/46/53/410204653.db2.gz XMKYVVJLDXRZNV-JTQLQIEISA-N 1 1 317.305 1.400 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347196000 410382028 /nfs/dbraw/zinc/38/20/28/410382028.db2.gz AVTHKQBOZCDTJZ-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351973973 410382548 /nfs/dbraw/zinc/38/25/48/410382548.db2.gz FLGUUQALNLZDME-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343441161 410455491 /nfs/dbraw/zinc/45/54/91/410455491.db2.gz BXNVMZSQHMQHPT-BXUZGUMPSA-N 1 1 307.350 1.573 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000343564099 410535316 /nfs/dbraw/zinc/53/53/16/410535316.db2.gz GYRQCJLANSYZLP-NSHDSACASA-N 1 1 308.338 1.300 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000343620177 410572720 /nfs/dbraw/zinc/57/27/20/410572720.db2.gz GGXGOGBGTXFAGK-ZDUSSCGKSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1nn(C)c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301301613 410695598 /nfs/dbraw/zinc/69/55/98/410695598.db2.gz VMOVOTXSQLLLGR-LBPRGKRZSA-N 1 1 311.386 1.405 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C1 ZINC000330553632 410771856 /nfs/dbraw/zinc/77/18/56/410771856.db2.gz CTZBMIFKUOKCGS-GHMZBOCLSA-N 1 1 309.370 1.131 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@H](C)C1 ZINC000330553633 410773062 /nfs/dbraw/zinc/77/30/62/410773062.db2.gz CTZBMIFKUOKCGS-MNOVXSKESA-N 1 1 309.370 1.131 20 5 DDBDMO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000330560762 410778818 /nfs/dbraw/zinc/77/88/18/410778818.db2.gz HVPLTSJTTGJUNV-QWRGUYRKSA-N 1 1 309.370 1.179 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000330607325 410821114 /nfs/dbraw/zinc/82/11/14/410821114.db2.gz LMRNKWVMHAOSGO-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000330607325 410821120 /nfs/dbraw/zinc/82/11/20/410821120.db2.gz LMRNKWVMHAOSGO-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344045599 410918514 /nfs/dbraw/zinc/91/85/14/410918514.db2.gz JYIHZNKDDBGRSQ-CORIIIEPSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344045599 410918517 /nfs/dbraw/zinc/91/85/17/410918517.db2.gz JYIHZNKDDBGRSQ-CORIIIEPSA-N 1 1 319.361 1.544 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344054456 410924225 /nfs/dbraw/zinc/92/42/25/410924225.db2.gz IXZSRJJQWUKLAJ-NJZAAPMLSA-N 1 1 322.361 1.685 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000359997287 410989137 /nfs/dbraw/zinc/98/91/37/410989137.db2.gz ACKNSHREPVCQND-HNNXBMFYSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CN)C1CC1 ZINC000359997287 410989143 /nfs/dbraw/zinc/98/91/43/410989143.db2.gz ACKNSHREPVCQND-HNNXBMFYSA-N 1 1 320.393 1.901 20 5 DDBDMO CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331278106 411055375 /nfs/dbraw/zinc/05/53/75/411055375.db2.gz DFLFHTUVEXGLMZ-LBPRGKRZSA-N 1 1 321.381 1.343 20 5 DDBDMO CC(C)N(C)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331278106 411055381 /nfs/dbraw/zinc/05/53/81/411055381.db2.gz DFLFHTUVEXGLMZ-LBPRGKRZSA-N 1 1 321.381 1.343 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353497800 411031685 /nfs/dbraw/zinc/03/16/85/411031685.db2.gz SYHOGUYNNFSQAX-UNXYVOJBSA-N 1 1 307.350 1.685 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353497800 411031690 /nfs/dbraw/zinc/03/16/90/411031690.db2.gz SYHOGUYNNFSQAX-UNXYVOJBSA-N 1 1 307.350 1.685 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129299805 196037714 /nfs/dbraw/zinc/03/77/14/196037714.db2.gz RCDQJVGLZQWCKR-OAHLLOKOSA-N 1 1 305.378 1.749 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCOCC1 ZINC000134145002 196365210 /nfs/dbraw/zinc/36/52/10/196365210.db2.gz UREMLSZTOBABCJ-JTQLQIEISA-N 1 1 313.379 1.354 20 5 DDBDMO CN(C)C[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317128 225292697 /nfs/dbraw/zinc/29/26/97/225292697.db2.gz VRMGPQYHQCLVCJ-HOCLYGCPSA-N 1 1 307.394 1.874 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000374821223 418565214 /nfs/dbraw/zinc/56/52/14/418565214.db2.gz DYRXLKABHMWOTP-LKFCYVNXSA-N 1 1 322.340 1.482 20 5 DDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000374894929 418574122 /nfs/dbraw/zinc/57/41/22/418574122.db2.gz OEBYETRWWZLCHN-RQJABVFESA-N 1 1 307.325 1.053 20 5 DDBDMO C[C@H]1CN(CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049122 418554971 /nfs/dbraw/zinc/55/49/71/418554971.db2.gz CDRHCSVDMYKJBM-KBPBESRZSA-N 1 1 323.397 1.149 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)CC(C)C)c1[N+](=O)[O-] ZINC000192526664 222129541 /nfs/dbraw/zinc/12/95/41/222129541.db2.gz DIZJABQHIRKUQF-UHFFFAOYSA-N 1 1 311.386 1.540 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[N@H+](C)C[C@@H]3C)n2)n1C ZINC000361248775 418612426 /nfs/dbraw/zinc/61/24/26/418612426.db2.gz CXVDLPKPCNYPOU-IONNQARKSA-N 1 1 306.326 1.352 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000367842530 418644666 /nfs/dbraw/zinc/64/46/66/418644666.db2.gz XPKYUWFXFSWAMU-NDBYEHHHSA-N 1 1 319.361 1.400 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000367842530 418644669 /nfs/dbraw/zinc/64/46/69/418644669.db2.gz XPKYUWFXFSWAMU-NDBYEHHHSA-N 1 1 319.361 1.400 20 5 DDBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541723 418674181 /nfs/dbraw/zinc/67/41/81/418674181.db2.gz SBZNMBKUDJMXJB-OCCSQVGLSA-N 1 1 310.398 1.910 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000361563855 418678386 /nfs/dbraw/zinc/67/83/86/418678386.db2.gz LMIMPQYUSNQCTM-AAEUAGOBSA-N 1 1 310.350 1.575 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232285 418770748 /nfs/dbraw/zinc/77/07/48/418770748.db2.gz ROBIQQXDXUMAES-STQMWFEESA-N 1 1 319.361 1.892 20 5 DDBDMO C[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000411476554 418907855 /nfs/dbraw/zinc/90/78/55/418907855.db2.gz BXFANZRKSKCEJC-NWDGAFQWSA-N 1 1 307.350 1.541 20 5 DDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000421011087 419449187 /nfs/dbraw/zinc/44/91/87/419449187.db2.gz RSQCCCUXZSVORW-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011087 419449198 /nfs/dbraw/zinc/44/91/98/419449198.db2.gz RSQCCCUXZSVORW-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011087 419449211 /nfs/dbraw/zinc/44/92/11/419449211.db2.gz RSQCCCUXZSVORW-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2cncs2)CC1 ZINC000411876471 419452916 /nfs/dbraw/zinc/45/29/16/419452916.db2.gz PSQXGGGIVMZYNN-UHFFFAOYSA-N 1 1 319.390 1.811 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000411947661 419513653 /nfs/dbraw/zinc/51/36/53/419513653.db2.gz UFBRCDAFXYVBLN-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426996319 419577239 /nfs/dbraw/zinc/57/72/39/419577239.db2.gz ZHQCRMQLSDOWCQ-HNNXBMFYSA-N 1 1 303.362 1.880 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000427058711 419589391 /nfs/dbraw/zinc/58/93/91/419589391.db2.gz FIPLTUINBOLBGI-ZWNOBZJWSA-N 1 1 307.350 1.816 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000421707886 419693730 /nfs/dbraw/zinc/69/37/30/419693730.db2.gz YOQZIVPRJXSWGK-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421710480 419698258 /nfs/dbraw/zinc/69/82/58/419698258.db2.gz KVPSHHAESKRTLK-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO Nc1nc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435596850 420266049 /nfs/dbraw/zinc/26/60/49/420266049.db2.gz ZZBUZFMFGFBXKH-LBPRGKRZSA-N 1 1 320.397 1.598 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)nc1 ZINC000438096537 420439829 /nfs/dbraw/zinc/43/98/29/420439829.db2.gz OWDGXCZLZIKYRK-CHWSQXEVSA-N 1 1 306.366 1.903 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457108889 420616226 /nfs/dbraw/zinc/61/62/26/420616226.db2.gz GIXVHPZXYQOKEV-LLVKDONJSA-N 1 1 306.366 1.732 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453609495 420737620 /nfs/dbraw/zinc/73/76/20/420737620.db2.gz WOCIODUPCQEDIY-UHFFFAOYSA-N 1 1 323.349 1.466 20 5 DDBDMO CNc1nc(C(=O)NCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000454676552 420907328 /nfs/dbraw/zinc/90/73/28/420907328.db2.gz SKOAYODYOAJTKL-UHFFFAOYSA-N 1 1 309.370 1.492 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000493586418 420888823 /nfs/dbraw/zinc/88/88/23/420888823.db2.gz POBLPBXNZIBATG-RXNFCKPNSA-N 1 1 311.288 1.674 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455906629 421075035 /nfs/dbraw/zinc/07/50/35/421075035.db2.gz GLAYHKVWDQNKHC-CMPLNLGQSA-N 1 1 321.381 1.490 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450588461 421213162 /nfs/dbraw/zinc/21/31/62/421213162.db2.gz BIMRBXQMUFZSPM-LBPRGKRZSA-N 1 1 311.386 1.378 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450594319 421214324 /nfs/dbraw/zinc/21/43/24/421214324.db2.gz KIICISMXHIRXGT-LLVKDONJSA-N 1 1 314.773 1.902 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545397464 421257453 /nfs/dbraw/zinc/25/74/53/421257453.db2.gz MQHVCEFARJKFOX-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000497293698 421402627 /nfs/dbraw/zinc/40/26/27/421402627.db2.gz AMIBHPJJIUYUTH-LBPRGKRZSA-N 1 1 305.334 1.869 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000562705931 421402694 /nfs/dbraw/zinc/40/26/94/421402694.db2.gz CVANVLJFIBJGNR-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cscn3)CC2)cn1 ZINC000516713941 421563879 /nfs/dbraw/zinc/56/38/79/421563879.db2.gz LUFMUYHRXRJORZ-UHFFFAOYSA-N 1 1 319.390 1.811 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517456856 421614501 /nfs/dbraw/zinc/61/45/01/421614501.db2.gz AROHNCIZNBEXQR-SNVBAGLBSA-N 1 1 321.333 1.395 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000553544423 421619503 /nfs/dbraw/zinc/61/95/03/421619503.db2.gz KLZOGUXXDBCXPP-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](C2CCC2)C1 ZINC000553864866 421626397 /nfs/dbraw/zinc/62/63/97/421626397.db2.gz BBYFHVYMWSUJKU-GFCCVEGCSA-N 1 1 320.393 1.880 20 5 DDBDMO Cc1nnsc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000521631136 421795769 /nfs/dbraw/zinc/79/57/69/421795769.db2.gz GJQQYQXOVYCCHO-UHFFFAOYSA-N 1 1 308.367 1.788 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000580934112 421863804 /nfs/dbraw/zinc/86/38/04/421863804.db2.gz UOFSFYWWLYVEHX-LLVKDONJSA-N 1 1 304.350 1.546 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CN1 ZINC000581585767 422005272 /nfs/dbraw/zinc/00/52/72/422005272.db2.gz QAJVBMHMHZODCY-HNNXBMFYSA-N 1 1 315.333 1.183 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CN1 ZINC000581585767 422005277 /nfs/dbraw/zinc/00/52/77/422005277.db2.gz QAJVBMHMHZODCY-HNNXBMFYSA-N 1 1 315.333 1.183 20 5 DDBDMO CCn1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000577842380 422436944 /nfs/dbraw/zinc/43/69/44/422436944.db2.gz UAGWMWADFSOKLH-AWEZNQCLSA-N 1 1 320.349 1.341 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000578765184 422643622 /nfs/dbraw/zinc/64/36/22/422643622.db2.gz LFHJZLNFMFEOMD-CQSZACIVSA-N 1 1 314.345 1.641 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578827154 422652374 /nfs/dbraw/zinc/65/23/74/422652374.db2.gz LAZGMEWDWZYTJA-TXEJJXNPSA-N 1 1 304.350 1.270 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344414494 272019280 /nfs/dbraw/zinc/01/92/80/272019280.db2.gz AVDLWQIOGHIUDB-MFKMUULPSA-N 1 1 320.349 1.132 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000346050866 272398967 /nfs/dbraw/zinc/39/89/67/272398967.db2.gz RIDGHJDJRIVRCO-VXGBXAGGSA-N 1 1 323.397 1.431 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCn3cc[nH+]c3C2)n1 ZINC000347103802 272616084 /nfs/dbraw/zinc/61/60/84/272616084.db2.gz ANLLGQKMAGKKBF-QMMMGPOBSA-N 1 1 315.293 1.305 20 5 DDBDMO COCC[N@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000275376323 274030124 /nfs/dbraw/zinc/03/01/24/274030124.db2.gz OGKISFCVPGQIDW-GFCCVEGCSA-N 1 1 320.393 1.720 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023925 276041017 /nfs/dbraw/zinc/04/10/17/276041017.db2.gz ZHOYELSPTFWFJZ-OAHLLOKOSA-N 1 1 321.381 1.609 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023925 276041018 /nfs/dbraw/zinc/04/10/18/276041018.db2.gz ZHOYELSPTFWFJZ-OAHLLOKOSA-N 1 1 321.381 1.609 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294023925 276041019 /nfs/dbraw/zinc/04/10/19/276041019.db2.gz ZHOYELSPTFWFJZ-OAHLLOKOSA-N 1 1 321.381 1.609 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000264680833 276054443 /nfs/dbraw/zinc/05/44/43/276054443.db2.gz PFOULJVORCDCCB-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000264680833 276054444 /nfs/dbraw/zinc/05/44/44/276054444.db2.gz PFOULJVORCDCCB-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000264680833 276054445 /nfs/dbraw/zinc/05/44/45/276054445.db2.gz PFOULJVORCDCCB-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133614935 277070137 /nfs/dbraw/zinc/07/01/37/277070137.db2.gz SOPMXKQHYALAQB-OLZOCXBDSA-N 1 1 318.377 1.614 20 5 DDBDMO CN1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000265991438 277106871 /nfs/dbraw/zinc/10/68/71/277106871.db2.gz IQWIQJVUZWAIND-UHFFFAOYSA-N 1 1 301.350 1.743 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709284 277182143 /nfs/dbraw/zinc/18/21/43/277182143.db2.gz DDRCDJFGXZZMDV-RYUDHWBXSA-N 1 1 316.365 1.558 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000449364560 279382237 /nfs/dbraw/zinc/38/22/37/279382237.db2.gz SHYAZWFTNGFCJI-ABAIWWIYSA-N 1 1 314.345 1.737 20 5 DDBDMO COc1cc(OCC(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000110654041 281058356 /nfs/dbraw/zinc/05/83/56/281058356.db2.gz HNOAWEWQONQIDY-LLVKDONJSA-N 1 1 323.349 1.050 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000247019105 282029142 /nfs/dbraw/zinc/02/91/42/282029142.db2.gz LSBBIXZBEFWHTH-TZMCWYRMSA-N 1 1 310.350 1.303 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358063745 299062430 /nfs/dbraw/zinc/06/24/30/299062430.db2.gz ZXMZVNHOGRTVFK-INIZCTEOSA-N 1 1 321.377 1.316 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094696 300209701 /nfs/dbraw/zinc/20/97/01/300209701.db2.gz HJUNASPVYGGADS-ZIAGYGMSSA-N 1 1 320.349 1.580 20 5 DDBDMO O=C1NCCCC[C@H]1[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012310 301119504 /nfs/dbraw/zinc/11/95/04/301119504.db2.gz UWTKDQWGXVZDII-WCQYABFASA-N 1 1 307.354 1.097 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019286 301120218 /nfs/dbraw/zinc/12/02/18/301120218.db2.gz XLGWVRMUWQDWJT-KBPBESRZSA-N 1 1 323.397 1.149 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]3(CCCCO3)C2)c1 ZINC000370095055 301274710 /nfs/dbraw/zinc/27/47/10/301274710.db2.gz RDARFGGVVWUZON-HUUCEWRRSA-N 1 1 324.381 1.187 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372933793 301633168 /nfs/dbraw/zinc/63/31/68/301633168.db2.gz QQRQIOYPVFIMLG-CABCVRRESA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1 ZINC000378306322 302309783 /nfs/dbraw/zinc/30/97/83/302309783.db2.gz AFAWYIAPAJOWDX-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1 ZINC000378306322 302309785 /nfs/dbraw/zinc/30/97/85/302309785.db2.gz AFAWYIAPAJOWDX-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)Nc2ncccc2[N+](=O)[O-])CC1 ZINC000450923246 302398604 /nfs/dbraw/zinc/39/86/04/302398604.db2.gz QFZLSKPBRMZCPP-UHFFFAOYSA-N 1 1 307.398 1.818 20 5 DDBDMO CC1CCC([NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000363673372 307032997 /nfs/dbraw/zinc/03/29/97/307032997.db2.gz CBDKHKHILKBMRE-UZVIJOLCSA-N 1 1 309.410 1.811 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000366471691 307074536 /nfs/dbraw/zinc/07/45/36/307074536.db2.gz ICWKESIPZMEXMG-GZBFAFLISA-N 1 1 322.361 1.588 20 5 DDBDMO CCN(C)C(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369001202 307113996 /nfs/dbraw/zinc/11/39/96/307113996.db2.gz KZNTXMAKBHAXMF-GFCCVEGCSA-N 1 1 309.370 1.297 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000371808708 307158191 /nfs/dbraw/zinc/15/81/91/307158191.db2.gz KEESLKMIGGUNTL-AWEZNQCLSA-N 1 1 307.350 1.262 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000371808708 307158192 /nfs/dbraw/zinc/15/81/92/307158192.db2.gz KEESLKMIGGUNTL-AWEZNQCLSA-N 1 1 307.350 1.262 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373907802 307197995 /nfs/dbraw/zinc/19/79/95/307197995.db2.gz GQMQEIDHNYGMMN-HOCLYGCPSA-N 1 1 322.361 1.181 20 5 DDBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695376 307211808 /nfs/dbraw/zinc/21/18/08/307211808.db2.gz FNIMJXROSTXSGG-BXUZGUMPSA-N 1 1 308.338 1.066 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000377563981 307273030 /nfs/dbraw/zinc/27/30/30/307273030.db2.gz MPBPAHGGKBMDTR-LLVKDONJSA-N 1 1 314.292 1.072 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299264490 533830104 /nfs/dbraw/zinc/83/01/04/533830104.db2.gz VKEZKUZPFPNOCX-STQMWFEESA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419331778 533847543 /nfs/dbraw/zinc/84/75/43/533847543.db2.gz RUTJOXPZBVJYDN-CHWSQXEVSA-N 1 1 307.394 1.790 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])s1 ZINC000452348347 534641616 /nfs/dbraw/zinc/64/16/16/534641616.db2.gz LFBVLNQSJCCMRX-SNVBAGLBSA-N 1 1 313.379 1.233 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452347589 534642284 /nfs/dbraw/zinc/64/22/84/534642284.db2.gz IYHRNZVZMMJIJJ-CQSZACIVSA-N 1 1 307.350 1.171 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292981384 534887221 /nfs/dbraw/zinc/88/72/21/534887221.db2.gz NCNYCICJNOKYNC-AWEZNQCLSA-N 1 1 317.349 1.516 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292981384 534887222 /nfs/dbraw/zinc/88/72/22/534887222.db2.gz NCNYCICJNOKYNC-AWEZNQCLSA-N 1 1 317.349 1.516 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820715696 599084463 /nfs/dbraw/zinc/08/44/63/599084463.db2.gz CQTJEVHWEUTQGW-SECBINFHSA-N 1 1 318.341 1.066 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736846694 598797602 /nfs/dbraw/zinc/79/76/02/598797602.db2.gz ALQRNZIWPALNDW-JTQLQIEISA-N 1 1 317.353 1.163 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824994178 608554783 /nfs/dbraw/zinc/55/47/83/608554783.db2.gz UBYRWGVADQRACN-NXEZZACHSA-N 1 1 317.353 1.304 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126524767 696763020 /nfs/dbraw/zinc/76/30/20/696763020.db2.gz NWYLBVIJHTWCRR-UHFFFAOYSA-N 1 1 319.358 1.352 20 5 DDBDMO COC(=O)/C(C)=C/C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816050 700136643 /nfs/dbraw/zinc/13/66/43/700136643.db2.gz CKOORCXASLVZPM-JXDHDYMSSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C(C)=C/C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816050 700136644 /nfs/dbraw/zinc/13/66/44/700136644.db2.gz CKOORCXASLVZPM-JXDHDYMSSA-N 1 1 320.349 1.595 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582445 698121626 /nfs/dbraw/zinc/12/16/26/698121626.db2.gz QOYVJOBTSZLIDS-OCCSQVGLSA-N 1 1 307.350 1.086 20 5 DDBDMO CN1CCC[N@H+](CCCNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000778084067 698240646 /nfs/dbraw/zinc/24/06/46/698240646.db2.gz CHAUTKPNYLUNAN-UHFFFAOYSA-N 1 1 324.400 1.851 20 5 DDBDMO CN1CCC[N@@H+](CCCNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000778084067 698240647 /nfs/dbraw/zinc/24/06/47/698240647.db2.gz CHAUTKPNYLUNAN-UHFFFAOYSA-N 1 1 324.400 1.851 20 5 DDBDMO CO[C@@H]1CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800865473 700251341 /nfs/dbraw/zinc/25/13/41/700251341.db2.gz DFJHMKXZIDMVIT-CQSZACIVSA-N 1 1 307.350 1.274 20 5 DDBDMO CO[C@@H]1CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800865473 700251346 /nfs/dbraw/zinc/25/13/46/700251346.db2.gz DFJHMKXZIDMVIT-CQSZACIVSA-N 1 1 307.350 1.274 20 5 DDBDMO CNc1c(C(=O)NCC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000783913972 698891908 /nfs/dbraw/zinc/89/19/08/698891908.db2.gz FHEWKSDZIQPGPM-LLVKDONJSA-N 1 1 306.366 1.851 20 5 DDBDMO CC1(C)C[N@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])CCO1 ZINC000725789416 699333831 /nfs/dbraw/zinc/33/38/31/699333831.db2.gz BZDVAVKYWBNRPR-UHFFFAOYSA-N 1 1 319.365 1.765 20 5 DDBDMO CC1(C)C[N@@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])CCO1 ZINC000725789416 699333835 /nfs/dbraw/zinc/33/38/35/699333835.db2.gz BZDVAVKYWBNRPR-UHFFFAOYSA-N 1 1 319.365 1.765 20 5 DDBDMO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732165310 699548656 /nfs/dbraw/zinc/54/86/56/699548656.db2.gz DZCMTFNIOPBJBW-GFCCVEGCSA-N 1 1 304.350 1.486 20 5 DDBDMO CC(C)[C@H](C[NH+](C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000733164656 699581529 /nfs/dbraw/zinc/58/15/29/699581529.db2.gz ARROZFWVYUMPJX-ZDUSSCGKSA-N 1 1 319.365 1.787 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739876151 699781994 /nfs/dbraw/zinc/78/19/94/699781994.db2.gz XUKNFWZVRMORQS-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000742058398 699858907 /nfs/dbraw/zinc/85/89/07/699858907.db2.gz BDMDYHXZBOONGU-STQMWFEESA-N 1 1 319.361 1.496 20 5 DDBDMO C[C@H]1COCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000753991666 700474593 /nfs/dbraw/zinc/47/45/93/700474593.db2.gz CDVJTCQJXGWVHL-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@H]1COCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000753991666 700474596 /nfs/dbraw/zinc/47/45/96/700474596.db2.gz CDVJTCQJXGWVHL-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761077602 700840595 /nfs/dbraw/zinc/84/05/95/700840595.db2.gz NDZVILHYIJNDOK-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO Cc1nn(C[N@@H+](C)CC2CCOCC2)c2ncc([N+](=O)[O-])cc12 ZINC000767982653 701150336 /nfs/dbraw/zinc/15/03/36/701150336.db2.gz LFOVFJWYRYOMHP-UHFFFAOYSA-N 1 1 319.365 1.964 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000804613455 701203715 /nfs/dbraw/zinc/20/37/15/701203715.db2.gz SFANILZDNQUGSK-SNVBAGLBSA-N 1 1 308.294 1.024 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000804613455 701203718 /nfs/dbraw/zinc/20/37/18/701203718.db2.gz SFANILZDNQUGSK-SNVBAGLBSA-N 1 1 308.294 1.024 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000768813619 701205453 /nfs/dbraw/zinc/20/54/53/701205453.db2.gz STKQIVHOVPXFOR-UHFFFAOYSA-N 1 1 305.381 1.029 20 5 DDBDMO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839649941 701766007 /nfs/dbraw/zinc/76/60/07/701766007.db2.gz MMRRYOVWUCFTIE-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000839658327 701768768 /nfs/dbraw/zinc/76/87/68/701768768.db2.gz FAMHGQDRLDNQOP-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658327 701768776 /nfs/dbraw/zinc/76/87/76/701768776.db2.gz FAMHGQDRLDNQOP-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000839658327 701768779 /nfs/dbraw/zinc/76/87/79/701768779.db2.gz FAMHGQDRLDNQOP-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658327 701768785 /nfs/dbraw/zinc/76/87/85/701768785.db2.gz FAMHGQDRLDNQOP-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000839658327 701768791 /nfs/dbraw/zinc/76/87/91/701768791.db2.gz FAMHGQDRLDNQOP-JSGCOSHPSA-N 1 1 317.349 1.544 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839700086 701789739 /nfs/dbraw/zinc/78/97/39/701789739.db2.gz JIUGHIHINDJBTI-ARLBYUKCSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839700086 701789742 /nfs/dbraw/zinc/78/97/42/701789742.db2.gz JIUGHIHINDJBTI-ARLBYUKCSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839700086 701789744 /nfs/dbraw/zinc/78/97/44/701789744.db2.gz JIUGHIHINDJBTI-ARLBYUKCSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000839785162 701826273 /nfs/dbraw/zinc/82/62/73/701826273.db2.gz BHGNFMJJSDRKBC-FVQBIDKESA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000839785162 701826280 /nfs/dbraw/zinc/82/62/80/701826280.db2.gz BHGNFMJJSDRKBC-FVQBIDKESA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000839785162 701826287 /nfs/dbraw/zinc/82/62/87/701826287.db2.gz BHGNFMJJSDRKBC-FVQBIDKESA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000867945022 701846915 /nfs/dbraw/zinc/84/69/15/701846915.db2.gz OHMZJSURKUKOKP-HFAKWTLXSA-N 1 1 307.350 1.405 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000868062295 701920554 /nfs/dbraw/zinc/92/05/54/701920554.db2.gz KJWFUVRYWCCNCI-KGLIPLIRSA-N 1 1 318.377 1.830 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000816648797 702135438 /nfs/dbraw/zinc/13/54/38/702135438.db2.gz PKBBDSZNQRQBQE-QWRGUYRKSA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000816648797 702135440 /nfs/dbraw/zinc/13/54/40/702135440.db2.gz PKBBDSZNQRQBQE-QWRGUYRKSA-N 1 1 308.334 1.987 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000816954720 702238718 /nfs/dbraw/zinc/23/87/18/702238718.db2.gz JJNZEHZHEDHZFL-NOZJJQNGSA-N 1 1 320.305 1.279 20 5 DDBDMO CCC(=O)c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848766282 703586056 /nfs/dbraw/zinc/58/60/56/703586056.db2.gz OORFMVQDFIYWDH-QWHCGFSZSA-N 1 1 319.361 1.443 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852498155 704063249 /nfs/dbraw/zinc/06/32/49/704063249.db2.gz ZSNVSCGAGKAOQS-GWCFXTLKSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852498155 704063250 /nfs/dbraw/zinc/06/32/50/704063250.db2.gz ZSNVSCGAGKAOQS-GWCFXTLKSA-N 1 1 307.325 1.834 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852710028 704103865 /nfs/dbraw/zinc/10/38/65/704103865.db2.gz HZLQNZGOBIKNOA-HNNXBMFYSA-N 1 1 323.368 1.765 20 5 DDBDMO CN(CC1CCOCC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870911534 704165625 /nfs/dbraw/zinc/16/56/25/704165625.db2.gz JSXOFHZLBXLCHS-INIZCTEOSA-N 1 1 321.377 1.654 20 5 DDBDMO CO[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000870927747 704171868 /nfs/dbraw/zinc/17/18/68/704171868.db2.gz FHAFOIOVYGIODF-SGIREYDYSA-N 1 1 321.377 1.652 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565544 704271803 /nfs/dbraw/zinc/27/18/03/704271803.db2.gz HBZNGGOPEKKTDR-SWLSCSKDSA-N 1 1 302.334 1.870 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@@H]2C1 ZINC000821322269 704390507 /nfs/dbraw/zinc/39/05/07/704390507.db2.gz FWPNHRAPXVQTKX-GASCZTMLSA-N 1 1 303.362 1.813 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000854735267 704445838 /nfs/dbraw/zinc/44/58/38/704445838.db2.gz MJGUTCKTAPAYMQ-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855165883 704471748 /nfs/dbraw/zinc/47/17/48/704471748.db2.gz ZRWHDRQNQODKHJ-VIFPVBQESA-N 1 1 307.354 1.175 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000873734280 704839314 /nfs/dbraw/zinc/83/93/14/704839314.db2.gz VMQDYLJXWQHIOM-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874830013 705188229 /nfs/dbraw/zinc/18/82/29/705188229.db2.gz PRIKSHOALVPETQ-VXGBXAGGSA-N 1 1 319.365 1.340 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874842456 705197567 /nfs/dbraw/zinc/19/75/67/705197567.db2.gz HSLDRILZNQFZLX-OLZOCXBDSA-N 1 1 321.381 1.185 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339489 705433262 /nfs/dbraw/zinc/43/32/62/705433262.db2.gz CDWSWBMNCLSUOB-IAQYHMDHSA-N 1 1 308.334 1.861 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646700 705833331 /nfs/dbraw/zinc/83/33/31/705833331.db2.gz DRMGDQRVUIVVHS-DOMZBBRYSA-N 1 1 321.377 1.428 20 5 DDBDMO CN1C(=O)[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1=O ZINC000877720334 706188741 /nfs/dbraw/zinc/18/87/41/706188741.db2.gz NUHVMVWQEFSDLF-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1=O ZINC000877720334 706188743 /nfs/dbraw/zinc/18/87/43/706188743.db2.gz NUHVMVWQEFSDLF-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057856 706338422 /nfs/dbraw/zinc/33/84/22/706338422.db2.gz FXDTVXVYTQFIDS-GHMZBOCLSA-N 1 1 323.324 1.327 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)ccc1Cl ZINC000878882993 706524656 /nfs/dbraw/zinc/52/46/56/706524656.db2.gz MUPJLGDYIPFHMM-QWRGUYRKSA-N 1 1 300.742 1.566 20 5 DDBDMO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000879045932 706571892 /nfs/dbraw/zinc/57/18/92/706571892.db2.gz OIEMWSARSHRYKU-ZDUSSCGKSA-N 1 1 313.304 1.769 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880050598 706864430 /nfs/dbraw/zinc/86/44/30/706864430.db2.gz CXUSBUDTCGFVJQ-JTQLQIEISA-N 1 1 322.287 1.753 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880050598 706864434 /nfs/dbraw/zinc/86/44/34/706864434.db2.gz CXUSBUDTCGFVJQ-JTQLQIEISA-N 1 1 322.287 1.753 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137799 706887932 /nfs/dbraw/zinc/88/79/32/706887932.db2.gz KVMDWBWLQJUECK-BZUAXINKSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137799 706887933 /nfs/dbraw/zinc/88/79/33/706887933.db2.gz KVMDWBWLQJUECK-BZUAXINKSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137799 706887937 /nfs/dbraw/zinc/88/79/37/706887937.db2.gz KVMDWBWLQJUECK-BZUAXINKSA-N 1 1 305.378 1.797 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1 ZINC000880171207 706900465 /nfs/dbraw/zinc/90/04/65/706900465.db2.gz VSOINYJQFSYQLQ-UHFFFAOYSA-N 1 1 319.361 1.718 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000880184550 706904419 /nfs/dbraw/zinc/90/44/19/706904419.db2.gz KMQWLHRLLUNDSF-DOMZBBRYSA-N 1 1 322.365 1.517 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000880184768 706904809 /nfs/dbraw/zinc/90/48/09/706904809.db2.gz SBMXLVJTHDQGDE-RISCZKNCSA-N 1 1 308.338 1.246 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430914 706973059 /nfs/dbraw/zinc/97/30/59/706973059.db2.gz XJLQPXNPKBBGEA-ZIAGYGMSSA-N 1 1 323.349 1.269 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430914 706973063 /nfs/dbraw/zinc/97/30/63/706973063.db2.gz XJLQPXNPKBBGEA-ZIAGYGMSSA-N 1 1 323.349 1.269 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832866012 706996349 /nfs/dbraw/zinc/99/63/49/706996349.db2.gz PCUXPUDCXYGGFE-DOMZBBRYSA-N 1 1 323.393 1.865 20 5 DDBDMO CN1CCCC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265667 707355818 /nfs/dbraw/zinc/35/58/18/707355818.db2.gz VALIDUBPBXBUIY-GJZGRUSLSA-N 1 1 321.377 1.571 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265667 707355825 /nfs/dbraw/zinc/35/58/25/707355825.db2.gz VALIDUBPBXBUIY-GJZGRUSLSA-N 1 1 321.377 1.571 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000838986837 708010595 /nfs/dbraw/zinc/01/05/95/708010595.db2.gz OKDBGXNQESYXNZ-MRXNPFEDSA-N 1 1 305.378 1.845 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000883898312 708079249 /nfs/dbraw/zinc/07/92/49/708079249.db2.gz XDVUSYLYTFAYMS-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912897 708181064 /nfs/dbraw/zinc/18/10/64/708181064.db2.gz IHAYVYRCTUMVNG-YGRLFVJLSA-N 1 1 306.322 1.891 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914695 708181546 /nfs/dbraw/zinc/18/15/46/708181546.db2.gz PCFPFGOGFUXMDI-RNCFNFMXSA-N 1 1 307.379 1.692 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC000897221942 708259410 /nfs/dbraw/zinc/25/94/10/708259410.db2.gz QOMCJTZXKNQCEC-STQMWFEESA-N 1 1 306.366 1.334 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@H](O)C2)c2ccccc21 ZINC000884568614 708330978 /nfs/dbraw/zinc/33/09/78/708330978.db2.gz PSBJDDQYGULHIL-NSHDSACASA-N 1 1 302.334 1.622 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886573897 708779271 /nfs/dbraw/zinc/77/92/71/708779271.db2.gz BOZAOEYZSONRPI-TYNCELHUSA-N 1 1 319.361 1.626 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000886596088 708787533 /nfs/dbraw/zinc/78/75/33/708787533.db2.gz WOFLDKXUKHRIIM-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000886596088 708787536 /nfs/dbraw/zinc/78/75/36/708787536.db2.gz WOFLDKXUKHRIIM-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939251 709173385 /nfs/dbraw/zinc/17/33/85/709173385.db2.gz WZOMCXPTYJHTOC-WBMJQRKESA-N 1 1 319.361 1.384 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000900240660 709500533 /nfs/dbraw/zinc/50/05/33/709500533.db2.gz MGBILCLEXXSNKS-OAHLLOKOSA-N 1 1 307.350 1.058 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090930 713126465 /nfs/dbraw/zinc/12/64/65/713126465.db2.gz BJPIUVKPLGRILA-MWLCHTKSSA-N 1 1 310.379 1.233 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090930 713126466 /nfs/dbraw/zinc/12/64/66/713126466.db2.gz BJPIUVKPLGRILA-MWLCHTKSSA-N 1 1 310.379 1.233 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000900857849 709793859 /nfs/dbraw/zinc/79/38/59/709793859.db2.gz LUHKMQNRORLVFF-INIZCTEOSA-N 1 1 321.377 1.100 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000901233410 709978408 /nfs/dbraw/zinc/97/84/08/709978408.db2.gz LENXNTUYDMSWDY-MRXNPFEDSA-N 1 1 321.377 1.100 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)cc1C ZINC000891389016 710182136 /nfs/dbraw/zinc/18/21/36/710182136.db2.gz AGKFLJNKBWRYRF-UHFFFAOYSA-N 1 1 307.350 1.832 20 5 DDBDMO Cn1c2ccccc2c(NCC[NH+]2CCC2)c([N+](=O)[O-])c1=O ZINC000892952763 710531523 /nfs/dbraw/zinc/53/15/23/710531523.db2.gz JPPGLKLWZAZMRK-UHFFFAOYSA-N 1 1 302.334 1.564 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913281852 713190628 /nfs/dbraw/zinc/19/06/28/713190628.db2.gz CTYONBHRGVJKLS-CALCHBBNSA-N 1 1 317.389 1.938 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893875807 710870025 /nfs/dbraw/zinc/87/00/25/710870025.db2.gz GACKTYCAQNEGBL-CYBMUJFWSA-N 1 1 320.393 1.778 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000894940590 711330062 /nfs/dbraw/zinc/33/00/62/711330062.db2.gz UHQNOCLNVBUOGF-CMPLNLGQSA-N 1 1 310.350 1.902 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000913538661 713249413 /nfs/dbraw/zinc/24/94/13/713249413.db2.gz IHWDEAFZSVDZNJ-TXEJJXNPSA-N 1 1 305.334 1.279 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000913538661 713249415 /nfs/dbraw/zinc/24/94/15/713249415.db2.gz IHWDEAFZSVDZNJ-TXEJJXNPSA-N 1 1 305.334 1.279 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895245594 711463624 /nfs/dbraw/zinc/46/36/24/711463624.db2.gz GOMIIKIAYJDLQL-CMPLNLGQSA-N 1 1 310.402 1.166 20 5 DDBDMO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247510 711464671 /nfs/dbraw/zinc/46/46/71/711464671.db2.gz VFFJIHKBBUNXPW-BXKDBHETSA-N 1 1 313.789 1.689 20 5 DDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000895248476 711464967 /nfs/dbraw/zinc/46/49/67/711464967.db2.gz LYUYYPNWFLNRFB-BXKDBHETSA-N 1 1 313.789 1.689 20 5 DDBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC12CC[NH+](CC1)C2 ZINC000913635156 713273618 /nfs/dbraw/zinc/27/36/18/713273618.db2.gz SNMSXDYPBFKENT-UHFFFAOYSA-N 1 1 317.345 1.522 20 5 DDBDMO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1=O ZINC000905274222 711988839 /nfs/dbraw/zinc/98/88/39/711988839.db2.gz NXQNLRKYQFBAJN-BXUZGUMPSA-N 1 1 309.341 1.744 20 5 DDBDMO Cc1nn(C[N@@H+]2CCO[C@@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000905738949 712135607 /nfs/dbraw/zinc/13/56/07/712135607.db2.gz MSLOHPJHOTWAPG-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@H+]2CCO[C@@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000905738949 712135608 /nfs/dbraw/zinc/13/56/08/712135608.db2.gz MSLOHPJHOTWAPG-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1C ZINC000908347227 712748089 /nfs/dbraw/zinc/74/80/89/712748089.db2.gz KRPHHXCWHVBQRK-OCCSQVGLSA-N 1 1 303.362 1.988 20 5 DDBDMO C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228689 713571561 /nfs/dbraw/zinc/57/15/61/713571561.db2.gz RBOJWTAZQKGVQU-CABCVRRESA-N 1 1 303.362 1.862 20 5 DDBDMO Cc1nn(C)c(C(=O)OCC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000920659657 713685851 /nfs/dbraw/zinc/68/58/51/713685851.db2.gz CQTFBBCTAGIVPU-LLVKDONJSA-N 1 1 310.354 1.668 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000930544328 713862832 /nfs/dbraw/zinc/86/28/32/713862832.db2.gz FZPHLQURULSURK-VXGBXAGGSA-N 1 1 323.397 1.336 20 5 DDBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930770388 713915931 /nfs/dbraw/zinc/91/59/31/713915931.db2.gz WOJZUFSSDSCPJA-MWLCHTKSSA-N 1 1 308.338 1.818 20 5 DDBDMO COC1(OC)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000931641301 714147546 /nfs/dbraw/zinc/14/75/46/714147546.db2.gz XQAVKUUQJPCFJT-CQSZACIVSA-N 1 1 310.350 1.193 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931724846 714169432 /nfs/dbraw/zinc/16/94/32/714169432.db2.gz INLYLGKBINSJLK-QWHCGFSZSA-N 1 1 318.377 1.702 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069679 714251749 /nfs/dbraw/zinc/25/17/49/714251749.db2.gz FLGPCAXAEUGFFU-QEJZJMRPSA-N 1 1 303.362 1.909 20 5 DDBDMO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000933557983 714615721 /nfs/dbraw/zinc/61/57/21/714615721.db2.gz HSVQRFYSTRMOQT-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000933557983 714615722 /nfs/dbraw/zinc/61/57/22/714615722.db2.gz HSVQRFYSTRMOQT-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000933750732 714663463 /nfs/dbraw/zinc/66/34/63/714663463.db2.gz ZOWCWJVODRSNLO-BBRMVZONSA-N 1 1 303.362 1.991 20 5 DDBDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923256 721848973 /nfs/dbraw/zinc/84/89/73/721848973.db2.gz UPJXCWCOVAEYTF-GJZGRUSLSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923256 721848976 /nfs/dbraw/zinc/84/89/76/721848976.db2.gz UPJXCWCOVAEYTF-GJZGRUSLSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cnc(C[NH3+])cc1=N ZINC001167362534 733295871 /nfs/dbraw/zinc/29/58/71/733295871.db2.gz ZTHPNEUIVNUAQP-UHFFFAOYSA-N 1 1 317.349 1.814 20 5 DDBDMO Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002782746 743424040 /nfs/dbraw/zinc/42/40/40/743424040.db2.gz PAAPIOBVVKOBNI-UKRRQHHQSA-N 1 1 318.377 1.136 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1 ZINC001187765915 744607667 /nfs/dbraw/zinc/60/76/67/744607667.db2.gz XFFHUQSBMHDZPD-BMIGLBTASA-N 1 1 320.349 1.164 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001095574948 750048833 /nfs/dbraw/zinc/04/88/33/750048833.db2.gz RXXCNOHGZXVHCA-UHFFFAOYSA-N 1 1 323.397 1.273 20 5 DDBDMO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030384 762186778 /nfs/dbraw/zinc/18/67/78/762186778.db2.gz ZDLKVPIZLJANCO-KGLIPLIRSA-N 1 1 315.414 1.249 20 5 DDBDMO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030384 762186773 /nfs/dbraw/zinc/18/67/73/762186773.db2.gz ZDLKVPIZLJANCO-KGLIPLIRSA-N 1 1 315.414 1.249 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036291 762191892 /nfs/dbraw/zinc/19/18/92/762191892.db2.gz NGALCJUFXDFBQD-UONOGXRCSA-N 1 1 305.382 1.434 20 5 DDBDMO O=C(c1cccs1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039585 762193389 /nfs/dbraw/zinc/19/33/89/762193389.db2.gz RCRAUJOLVYRIKH-QWHCGFSZSA-N 1 1 323.418 1.951 20 5 DDBDMO CCn1nnc2c1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2COC ZINC001169022285 762201220 /nfs/dbraw/zinc/20/12/20/762201220.db2.gz RQTAVOGLFBBUGT-SCRDCRAPSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2COC ZINC001169022285 762201226 /nfs/dbraw/zinc/20/12/26/762201226.db2.gz RQTAVOGLFBBUGT-SCRDCRAPSA-N 1 1 323.397 1.289 20 5 DDBDMO O=C(NCC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399239 762825526 /nfs/dbraw/zinc/82/55/26/762825526.db2.gz KIFRCXRWFWYWDP-IYODYBDTSA-N 1 1 301.774 1.232 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347077 766278308 /nfs/dbraw/zinc/27/83/08/766278308.db2.gz QAHMXNMPQXBTEB-RISCZKNCSA-N 1 1 321.377 1.874 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347077 766278310 /nfs/dbraw/zinc/27/83/10/766278310.db2.gz QAHMXNMPQXBTEB-RISCZKNCSA-N 1 1 321.377 1.874 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001147155434 773054223 /nfs/dbraw/zinc/05/42/23/773054223.db2.gz ZPDKEMKPVFGQKL-ZETCQYMHSA-N 1 1 315.761 1.574 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001148757056 773594388 /nfs/dbraw/zinc/59/43/88/773594388.db2.gz DHJNYZBPHUSARY-ZETCQYMHSA-N 1 1 301.734 1.185 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093642101 774940511 /nfs/dbraw/zinc/94/05/11/774940511.db2.gz KOBUDRMQDNJGGZ-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094517188 775973790 /nfs/dbraw/zinc/97/37/90/775973790.db2.gz FCGZYTSOBONBNQ-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001171742129 776460038 /nfs/dbraw/zinc/46/00/38/776460038.db2.gz WMNIESZZLXFREA-QWHCGFSZSA-N 1 1 305.334 1.834 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001171742129 776460040 /nfs/dbraw/zinc/46/00/40/776460040.db2.gz WMNIESZZLXFREA-QWHCGFSZSA-N 1 1 305.334 1.834 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCOC[C@H](O)C1)CC2 ZINC001172903899 776917254 /nfs/dbraw/zinc/91/72/54/776917254.db2.gz JKBXUHKTIIBVFR-GDBMZVCRSA-N 1 1 306.362 1.535 20 5 DDBDMO C[C@@H]1C(=O)NCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908134 776918236 /nfs/dbraw/zinc/91/82/36/776918236.db2.gz BCKJZTCGPQFMBT-BXUZGUMPSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H]1C(=O)NCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908134 776918245 /nfs/dbraw/zinc/91/82/45/776918245.db2.gz BCKJZTCGPQFMBT-BXUZGUMPSA-N 1 1 303.362 1.663 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044222 778406410 /nfs/dbraw/zinc/40/64/10/778406410.db2.gz PYRMDUIGBRRLBD-WFASDCNBSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1conc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463917 779061109 /nfs/dbraw/zinc/06/11/09/779061109.db2.gz NDNPEFQNIUMMMS-TZMCWYRMSA-N 1 1 324.381 1.414 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC1CCCCC1 ZINC001123138581 859102868 /nfs/dbraw/zinc/10/28/68/859102868.db2.gz XIMUCAKXRUTNPW-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@H+]2C1 ZINC001123668796 859352084 /nfs/dbraw/zinc/35/20/84/859352084.db2.gz HIGHYNGCOLJXKA-FRRDWIJNSA-N 1 1 321.381 1.028 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(NCC[NH+]2CCSCC2)n1 ZINC001157043701 863534570 /nfs/dbraw/zinc/53/45/70/863534570.db2.gz VLAGPEPAVWJYBY-UHFFFAOYSA-N 1 1 313.383 1.163 20 5 DDBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158562945 864727679 /nfs/dbraw/zinc/72/76/79/864727679.db2.gz OOAQXOPWFPXHKR-UHFFFAOYSA-N 1 1 309.326 1.819 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160720829 866061933 /nfs/dbraw/zinc/06/19/33/866061933.db2.gz SSONVZDLKGRXTQ-KGLIPLIRSA-N 1 1 306.366 1.963 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC001320357214 866668581 /nfs/dbraw/zinc/66/85/81/866668581.db2.gz JTZDRXITFCQIBI-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323719641 866793938 /nfs/dbraw/zinc/79/39/38/866793938.db2.gz BVAWHCJUZUJMIO-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323719641 866793946 /nfs/dbraw/zinc/79/39/46/866793946.db2.gz BVAWHCJUZUJMIO-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323719641 866793956 /nfs/dbraw/zinc/79/39/56/866793956.db2.gz BVAWHCJUZUJMIO-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N[C@@H]2CCCNC(=O)C2)ncc1[N+](=O)[O-] ZINC001162454030 867545598 /nfs/dbraw/zinc/54/55/98/867545598.db2.gz NBUYKNDAOICSSR-HOSRBBHYSA-N 1 1 319.365 1.603 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C1 ZINC001163118521 868118524 /nfs/dbraw/zinc/11/85/24/868118524.db2.gz ZECRVQXCRJWVBO-GFCCVEGCSA-N 1 1 322.365 1.403 20 5 DDBDMO Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001322504967 868210173 /nfs/dbraw/zinc/21/01/73/868210173.db2.gz HALAKSHRYATWJU-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO COC(=O)Cc1ccc(NCCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC001336398542 868922172 /nfs/dbraw/zinc/92/21/72/868922172.db2.gz BQKGWVJLXMYZSO-UHFFFAOYSA-N 1 1 318.333 1.698 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226213567 882284347 /nfs/dbraw/zinc/28/43/47/882284347.db2.gz DVSAKKVLQWEQQP-LBPRGKRZSA-N 1 1 308.334 1.783 20 5 DDBDMO C[N@H+]1C[C@@]23CN(c4ncc([N+](=O)[O-])cn4)C[C@]2(C1)CCCC3 ZINC001338199892 869864373 /nfs/dbraw/zinc/86/43/73/869864373.db2.gz IPUCJCWHRLTISR-GASCZTMLSA-N 1 1 303.366 1.697 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226360565 882384870 /nfs/dbraw/zinc/38/48/70/882384870.db2.gz DBQZTJHOZNMJAR-LLVKDONJSA-N 1 1 324.333 1.863 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001303986541 871172431 /nfs/dbraw/zinc/17/24/31/871172431.db2.gz XJEMBVQTSPZNIW-CYBMUJFWSA-N 1 1 307.350 1.430 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109351 871472681 /nfs/dbraw/zinc/47/26/81/871472681.db2.gz VMMLXNVERUDWHG-UKRRQHHQSA-N 1 1 321.377 1.428 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031227 874339437 /nfs/dbraw/zinc/33/94/37/874339437.db2.gz IQROKTLJSHSKOU-GXSJLCMTSA-N 1 1 302.338 1.532 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001355313203 878496080 /nfs/dbraw/zinc/49/60/80/878496080.db2.gz QILVMVUTVYXPOD-ZDUSSCGKSA-N 1 1 320.393 1.921 20 5 DDBDMO COc1cccc(CO[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001223809725 881106720 /nfs/dbraw/zinc/10/67/20/881106720.db2.gz VIOQLILNTARDKQ-LBPRGKRZSA-N 1 1 310.350 1.841 20 5 DDBDMO C[N@H+]1CCC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367930 883948751 /nfs/dbraw/zinc/94/87/51/883948751.db2.gz VREIYJBGCJMSBG-VIFPVBQESA-N 1 1 304.306 1.717 20 5 DDBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230763283 884847513 /nfs/dbraw/zinc/84/75/13/884847513.db2.gz WFAYKYLSQMONJC-HUUCEWRRSA-N 1 1 320.393 1.464 20 5 DDBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001230763283 884847525 /nfs/dbraw/zinc/84/75/25/884847525.db2.gz WFAYKYLSQMONJC-HUUCEWRRSA-N 1 1 320.393 1.464 20 5 DDBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccnc1 ZINC001230763283 884847536 /nfs/dbraw/zinc/84/75/36/884847536.db2.gz WFAYKYLSQMONJC-HUUCEWRRSA-N 1 1 320.393 1.464 20 5 DDBDMO OC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@@H]1O ZINC001232218317 886165686 /nfs/dbraw/zinc/16/56/86/886165686.db2.gz FUPHJKIPJQJFDN-RDJZCZTQSA-N 1 1 323.396 1.958 20 5 DDBDMO Cc1nc(O[C@@H](C)C[N+](C)(C)C)c(Br)c(=O)[nH]1 ZINC001234569792 888108022 /nfs/dbraw/zinc/10/80/22/888108022.db2.gz UIEILYWHIGBLEP-ZETCQYMHSA-O 1 1 305.196 1.727 20 5 DDBDMO N[C@@]12C[C@@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870276 892960823 /nfs/dbraw/zinc/96/08/23/892960823.db2.gz OGZWMFNJWQTFMJ-MLGOLLRUSA-N 1 1 302.378 1.597 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H]3C[C@H](CO)C[C@@H]31)C2 ZINC001254594725 896520553 /nfs/dbraw/zinc/52/05/53/896520553.db2.gz SPQVGZUGZHGYPP-KLWIRTJPSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H]3C[C@H](CO)C[C@@H]31)C2 ZINC001254594725 896520568 /nfs/dbraw/zinc/52/05/68/896520568.db2.gz SPQVGZUGZHGYPP-KLWIRTJPSA-N 1 1 318.373 1.534 20 5 DDBDMO Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)cc([N+](=O)[O-])c1 ZINC001264010942 900871065 /nfs/dbraw/zinc/87/10/65/900871065.db2.gz QHRXEGHCDZKFKE-FZMZJTMJSA-N 1 1 304.350 1.230 20 5 DDBDMO CS[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308208 231063667 /nfs/dbraw/zinc/06/36/67/231063667.db2.gz AFGFPSSGHFQTRT-OCCSQVGLSA-N 1 1 312.391 1.772 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCSCC2)c1 ZINC000089984439 185274452 /nfs/dbraw/zinc/27/44/52/185274452.db2.gz CELYYVHIBGTSQA-CYBMUJFWSA-N 1 1 312.391 1.773 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000457175345 529883697 /nfs/dbraw/zinc/88/36/97/529883697.db2.gz XPSPDDIFBMQDTD-UHFFFAOYSA-N 1 1 307.354 1.176 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299526828 530063714 /nfs/dbraw/zinc/06/37/14/530063714.db2.gz CNVIWFLRLGHIKQ-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181730113 199344513 /nfs/dbraw/zinc/34/45/13/199344513.db2.gz NNXLKUZEMWOHGU-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000358330241 299122503 /nfs/dbraw/zinc/12/25/03/299122503.db2.gz OWSNRVJOWXNIJJ-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280057669 215344641 /nfs/dbraw/zinc/34/46/41/215344641.db2.gz MLIVVGLHEIHZHX-OAHLLOKOSA-N 1 1 307.350 1.431 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000617403695 363089447 /nfs/dbraw/zinc/08/94/47/363089447.db2.gz YPUYDYDJEYAJFT-UHFFFAOYSA-N 1 1 323.397 1.758 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277193080 213357930 /nfs/dbraw/zinc/35/79/30/213357930.db2.gz BORTWMANCMFFBS-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[NH+]1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041362692 352304660 /nfs/dbraw/zinc/30/46/60/352304660.db2.gz JHEUHANERJDJJQ-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CCN(CC)C(=O)C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046036990 352433715 /nfs/dbraw/zinc/43/37/15/352433715.db2.gz YEMVVMJTZWAJIJ-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046036990 352433718 /nfs/dbraw/zinc/43/37/18/352433718.db2.gz YEMVVMJTZWAJIJ-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCOCC1 ZINC000055473090 352735168 /nfs/dbraw/zinc/73/51/68/352735168.db2.gz XEDKJTQTXJAQAS-CYBMUJFWSA-N 1 1 310.354 1.010 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063771225 352924311 /nfs/dbraw/zinc/92/43/11/352924311.db2.gz FMEOMHNYGNZVNR-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000061649602 352893286 /nfs/dbraw/zinc/89/32/86/352893286.db2.gz JYAQKKUFFJESKE-KBPBESRZSA-N 1 1 319.361 1.496 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000068369190 353107014 /nfs/dbraw/zinc/10/70/14/353107014.db2.gz RLTZHDXRQJNXCD-CYBMUJFWSA-N 1 1 320.349 1.182 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000072578247 353202569 /nfs/dbraw/zinc/20/25/69/353202569.db2.gz HAULTVOPEKZBFP-JSGCOSHPSA-N 1 1 305.338 1.317 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@H](C)O ZINC000072712805 353210529 /nfs/dbraw/zinc/21/05/29/353210529.db2.gz RELKZPODHMGUMS-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000072833172 353221133 /nfs/dbraw/zinc/22/11/33/353221133.db2.gz SFOQKXYOGOBYLU-INIZCTEOSA-N 1 1 303.362 1.739 20 5 DDBDMO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448452 353313891 /nfs/dbraw/zinc/31/38/91/353313891.db2.gz MLUACXOGYBHBNP-XHSDSOJGSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448452 353313895 /nfs/dbraw/zinc/31/38/95/353313895.db2.gz MLUACXOGYBHBNP-XHSDSOJGSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448452 353313898 /nfs/dbraw/zinc/31/38/98/353313898.db2.gz MLUACXOGYBHBNP-XHSDSOJGSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000174351782 198322848 /nfs/dbraw/zinc/32/28/48/198322848.db2.gz ZZXFMGHAUDDOJS-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000174351782 198322850 /nfs/dbraw/zinc/32/28/50/198322850.db2.gz ZZXFMGHAUDDOJS-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cnc(NC2CC[NH+](CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078630116 353525776 /nfs/dbraw/zinc/52/57/76/353525776.db2.gz RARDRQHBQPOHID-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO C[NH+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000090998134 353801410 /nfs/dbraw/zinc/80/14/10/353801410.db2.gz CJHQEHFVPVPANV-UHFFFAOYSA-N 1 1 323.321 1.565 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091457692 353827257 /nfs/dbraw/zinc/82/72/57/353827257.db2.gz QWKOZPCZSXJIGQ-LLVKDONJSA-N 1 1 304.354 1.781 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000092652746 353865682 /nfs/dbraw/zinc/86/56/82/353865682.db2.gz KHQIJGMBNKYCAH-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000093279003 353891238 /nfs/dbraw/zinc/89/12/38/353891238.db2.gz XJZINQNZSHETMX-GFCCVEGCSA-N 1 1 324.381 1.703 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000108345027 353951499 /nfs/dbraw/zinc/95/14/99/353951499.db2.gz FLPZUFDKBKLSJD-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO CCC(CC)(C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236791999 202011321 /nfs/dbraw/zinc/01/13/21/202011321.db2.gz OYTJJTDWFPGEKH-UHFFFAOYSA-N 1 1 305.338 1.718 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000154690479 354207321 /nfs/dbraw/zinc/20/73/21/354207321.db2.gz JUYJFLYYQLDMHT-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000154690479 354207322 /nfs/dbraw/zinc/20/73/22/354207322.db2.gz JUYJFLYYQLDMHT-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000156578762 354220062 /nfs/dbraw/zinc/22/00/62/354220062.db2.gz NRPGWWLZJMTLQR-AWEZNQCLSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000156578762 354220065 /nfs/dbraw/zinc/22/00/65/354220065.db2.gz NRPGWWLZJMTLQR-AWEZNQCLSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000319123279 354519891 /nfs/dbraw/zinc/51/98/91/354519891.db2.gz QUQFOVITXDOTBT-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000319123279 354519894 /nfs/dbraw/zinc/51/98/94/354519894.db2.gz QUQFOVITXDOTBT-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231301 283034968 /nfs/dbraw/zinc/03/49/68/283034968.db2.gz OBROETMBQSTOQC-OUCADQQQSA-N 1 1 320.393 1.736 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000585779646 354839836 /nfs/dbraw/zinc/83/98/36/354839836.db2.gz HPHVDOBKSKGTAJ-QMTHXVAHSA-N 1 1 306.366 1.200 20 5 DDBDMO C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@H](C)[NH+]1CCOCC1 ZINC000587882050 354886241 /nfs/dbraw/zinc/88/62/41/354886241.db2.gz RVBINPWAZUTNER-MNOVXSKESA-N 1 1 324.381 1.190 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000590444717 355098220 /nfs/dbraw/zinc/09/82/20/355098220.db2.gz KEKZHHWPPQVFME-BMIGLBTASA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591029801 355235890 /nfs/dbraw/zinc/23/58/90/355235890.db2.gz JORUKIFOWLYBEK-VHDGCEQUSA-N 1 1 303.362 1.909 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476897 355320749 /nfs/dbraw/zinc/32/07/49/355320749.db2.gz CKFAUOOPONSBDA-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071915 291067283 /nfs/dbraw/zinc/06/72/83/291067283.db2.gz RWIARSIEYIOKTP-DZGCQCFKSA-N 1 1 305.378 1.890 20 5 DDBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196509 355532771 /nfs/dbraw/zinc/53/27/71/355532771.db2.gz CBXZXDGZKCIPFD-QWHCGFSZSA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532025 355617724 /nfs/dbraw/zinc/61/77/24/355617724.db2.gz LYUNHNXBZMUJMA-OLZOCXBDSA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532025 355617728 /nfs/dbraw/zinc/61/77/28/355617728.db2.gz LYUNHNXBZMUJMA-OLZOCXBDSA-N 1 1 308.334 1.259 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187719 355820047 /nfs/dbraw/zinc/82/00/47/355820047.db2.gz OIVRHKYZESLSSV-UPJWGTAASA-N 1 1 321.377 1.913 20 5 DDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593252387 355833310 /nfs/dbraw/zinc/83/33/10/355833310.db2.gz YSWJNVQWADGHGO-LLVKDONJSA-N 1 1 324.312 1.017 20 5 DDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593252387 355833312 /nfs/dbraw/zinc/83/33/12/355833312.db2.gz YSWJNVQWADGHGO-LLVKDONJSA-N 1 1 324.312 1.017 20 5 DDBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ncccc1[N+](=O)[O-])C2 ZINC000594873864 356346269 /nfs/dbraw/zinc/34/62/69/356346269.db2.gz OFCXOMQMBAALMR-NSHDSACASA-N 1 1 317.349 1.456 20 5 DDBDMO Cc1noc(C[N@@H+](CC(C)(C)O)C2CCOCC2)c1[N+](=O)[O-] ZINC000595334243 356453342 /nfs/dbraw/zinc/45/33/42/356453342.db2.gz KNWDUMWUDMQAQW-UHFFFAOYSA-N 1 1 313.354 1.643 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000081361389 192256748 /nfs/dbraw/zinc/25/67/48/192256748.db2.gz NVOMMZBNOCVJRI-LBPRGKRZSA-N 1 1 320.393 1.981 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595395075 356476842 /nfs/dbraw/zinc/47/68/42/356476842.db2.gz GRAJYNXKVQJPNP-LLVKDONJSA-N 1 1 306.326 1.395 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595395075 356476845 /nfs/dbraw/zinc/47/68/45/356476845.db2.gz GRAJYNXKVQJPNP-LLVKDONJSA-N 1 1 306.326 1.395 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595608709 356575326 /nfs/dbraw/zinc/57/53/26/356575326.db2.gz UJQLQTQYOJDKOQ-AWEZNQCLSA-N 1 1 301.350 1.751 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608711 356575722 /nfs/dbraw/zinc/57/57/22/356575722.db2.gz UKCIEQYVCPJZGL-JTQLQIEISA-N 1 1 323.303 1.987 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608711 356575726 /nfs/dbraw/zinc/57/57/26/356575726.db2.gz UKCIEQYVCPJZGL-JTQLQIEISA-N 1 1 323.303 1.987 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663748 356599329 /nfs/dbraw/zinc/59/93/29/356599329.db2.gz UGFLRVDOLCYFOS-OAHLLOKOSA-N 1 1 310.350 1.447 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595727835 356624313 /nfs/dbraw/zinc/62/43/13/356624313.db2.gz DLFQCCWPAUKJJN-GXFFZTMASA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595727835 356624318 /nfs/dbraw/zinc/62/43/18/356624318.db2.gz DLFQCCWPAUKJJN-GXFFZTMASA-N 1 1 307.325 1.834 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595734852 356627089 /nfs/dbraw/zinc/62/70/89/356627089.db2.gz CCNCDPOVGGYQCJ-LBPRGKRZSA-N 1 1 323.349 1.271 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000618237910 363537594 /nfs/dbraw/zinc/53/75/94/363537594.db2.gz CHPPZNQIDYMNAY-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000618237910 363537596 /nfs/dbraw/zinc/53/75/96/363537596.db2.gz CHPPZNQIDYMNAY-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(COC2)C1 ZINC000595832613 356669478 /nfs/dbraw/zinc/66/94/78/356669478.db2.gz GGSSLMDAQCCUNH-NSHDSACASA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(COC2)C1 ZINC000595832613 356669479 /nfs/dbraw/zinc/66/94/79/356669479.db2.gz GGSSLMDAQCCUNH-NSHDSACASA-N 1 1 305.334 1.644 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CCC3(COC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595833426 356670401 /nfs/dbraw/zinc/67/04/01/356670401.db2.gz IRTMRWMDTHNSDF-AWEZNQCLSA-N 1 1 317.345 1.422 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC3(COC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595833426 356670403 /nfs/dbraw/zinc/67/04/03/356670403.db2.gz IRTMRWMDTHNSDF-AWEZNQCLSA-N 1 1 317.345 1.422 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c2c(c1)COCO2 ZINC000595830711 356667827 /nfs/dbraw/zinc/66/78/27/356667827.db2.gz LGUJHLHFENSEBX-SMDDNHRTSA-N 1 1 320.345 1.930 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000595871468 356687195 /nfs/dbraw/zinc/68/71/95/356687195.db2.gz OOEQDYFTQKZFIX-HNNXBMFYSA-N 1 1 308.382 1.664 20 5 DDBDMO CC(C)(C)C(F)(F)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596068300 356760399 /nfs/dbraw/zinc/76/03/99/356760399.db2.gz HIZLISXNMPQRJT-SNVBAGLBSA-N 1 1 306.313 1.423 20 5 DDBDMO CCOc1cc(C[N@@H+](C)C[C@@H](C)C(=O)NC)ccc1[N+](=O)[O-] ZINC000276914501 213172702 /nfs/dbraw/zinc/17/27/02/213172702.db2.gz NZJXXQAJMTUHCX-LLVKDONJSA-N 1 1 309.366 1.807 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151945 356793060 /nfs/dbraw/zinc/79/30/60/356793060.db2.gz MYSZBNFUPDOZAV-ZWNOBZJWSA-N 1 1 306.366 1.470 20 5 DDBDMO Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538586 356911209 /nfs/dbraw/zinc/91/12/09/356911209.db2.gz MKUYIJPVJBPUKU-OAHLLOKOSA-N 1 1 305.378 1.939 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000597921918 357382407 /nfs/dbraw/zinc/38/24/07/357382407.db2.gz HVDYSPYKVXYHEZ-JTQLQIEISA-N 1 1 306.366 1.780 20 5 DDBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946878 357395186 /nfs/dbraw/zinc/39/51/86/357395186.db2.gz RVLJNSDNAPGQSL-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598652064 357671955 /nfs/dbraw/zinc/67/19/55/357671955.db2.gz WTISVTANRRKVJE-OLZOCXBDSA-N 1 1 321.377 1.874 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292357886 223019473 /nfs/dbraw/zinc/01/94/73/223019473.db2.gz VYFLCCZGTOQTFB-QGZVFWFLSA-N 1 1 317.389 2.000 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600113062 358126347 /nfs/dbraw/zinc/12/63/47/358126347.db2.gz YCXLCWZJNSMPDV-UHFFFAOYSA-N 1 1 319.361 1.532 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000601198529 358443337 /nfs/dbraw/zinc/44/33/37/358443337.db2.gz CEOYSIKKGPDIDQ-LBPRGKRZSA-N 1 1 310.329 1.164 20 5 DDBDMO Cn1c[nH+]cc1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601141925 358418169 /nfs/dbraw/zinc/41/81/69/358418169.db2.gz SMIXSEOZWPVDRM-UHFFFAOYSA-N 1 1 318.259 1.735 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000601162693 358427352 /nfs/dbraw/zinc/42/73/52/358427352.db2.gz UDRHXBXEAVZRHX-GFCCVEGCSA-N 1 1 324.356 1.678 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601183714 358437854 /nfs/dbraw/zinc/43/78/54/358437854.db2.gz DAQFLGFGGMQYPR-QWHCGFSZSA-N 1 1 318.377 1.342 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776166 358690590 /nfs/dbraw/zinc/69/05/90/358690590.db2.gz HICOPDMTSNUAEB-WBMJQRKESA-N 1 1 321.377 1.260 20 5 DDBDMO CN1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1=O ZINC000602526307 359025969 /nfs/dbraw/zinc/02/59/69/359025969.db2.gz IZFSIQPNJBIRKF-JTQLQIEISA-N 1 1 317.267 1.934 20 5 DDBDMO CCNC(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602585228 359056906 /nfs/dbraw/zinc/05/69/06/359056906.db2.gz DNZMDAXQLUSIMQ-UHFFFAOYSA-N 1 1 305.256 1.839 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000602836712 359228174 /nfs/dbraw/zinc/22/81/74/359228174.db2.gz GYFPVVHNNMRBDH-GFCCVEGCSA-N 1 1 324.772 1.897 20 5 DDBDMO CN(C)C(=O)C1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCCCC1 ZINC000602842145 359231007 /nfs/dbraw/zinc/23/10/07/359231007.db2.gz QLWTVXQUKOECNK-UHFFFAOYSA-N 1 1 309.370 1.209 20 5 DDBDMO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928006 359299879 /nfs/dbraw/zinc/29/98/79/359299879.db2.gz VJCRVTDUNVVFBU-TZMCWYRMSA-N 1 1 320.349 1.828 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928006 359299881 /nfs/dbraw/zinc/29/98/81/359299881.db2.gz VJCRVTDUNVVFBU-TZMCWYRMSA-N 1 1 320.349 1.828 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000602965139 359329476 /nfs/dbraw/zinc/32/94/76/359329476.db2.gz ZRSBCKOQALTQTI-UKRRQHHQSA-N 1 1 310.350 1.575 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281182136 216135598 /nfs/dbraw/zinc/13/55/98/216135598.db2.gz AZDCFTQNZIJYNA-OCCSQVGLSA-N 1 1 305.334 1.568 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000610514157 360457867 /nfs/dbraw/zinc/45/78/67/360457867.db2.gz AJZPNRVVLBMBMV-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO CC(C)(CNc1cc(N)c([N+](=O)[O-])c(CO)c1)[NH+]1CCOCC1 ZINC000611525093 360747028 /nfs/dbraw/zinc/74/70/28/360747028.db2.gz IEIQNNFYWKOIDT-UHFFFAOYSA-N 1 1 324.381 1.192 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c2c(c1)COCO2 ZINC000612134116 360928585 /nfs/dbraw/zinc/92/85/85/360928585.db2.gz GSJRKLHXOVSRQX-VQISRLSMSA-N 1 1 320.345 1.664 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC000618826191 363770733 /nfs/dbraw/zinc/77/07/33/363770733.db2.gz SCSRAVOYNZTPLC-BETUJISGSA-N 1 1 319.361 1.359 20 5 DDBDMO Cc1n[nH]cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092048278 193148186 /nfs/dbraw/zinc/14/81/86/193148186.db2.gz GUCKUPUDZKFNGV-UHFFFAOYSA-N 1 1 301.350 1.949 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)NCc1ccccc1[N+](=O)[O-] ZINC000264809852 204173331 /nfs/dbraw/zinc/17/33/31/204173331.db2.gz GCMIPZWVWNVCJF-UHFFFAOYSA-N 1 1 324.406 1.443 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271739694 209170764 /nfs/dbraw/zinc/17/07/64/209170764.db2.gz WBGYIAIZVOOHLF-LBPRGKRZSA-N 1 1 324.381 1.533 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282496767 217040607 /nfs/dbraw/zinc/04/06/07/217040607.db2.gz NAPSMDDDCFBNAH-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO CC[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000282665086 217162643 /nfs/dbraw/zinc/16/26/43/217162643.db2.gz HAXZBNPMRWRLSQ-UHFFFAOYSA-N 1 1 313.310 1.334 20 5 DDBDMO CC[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000282665086 217162645 /nfs/dbraw/zinc/16/26/45/217162645.db2.gz HAXZBNPMRWRLSQ-UHFFFAOYSA-N 1 1 313.310 1.334 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262108141 296186442 /nfs/dbraw/zinc/18/64/42/296186442.db2.gz ZTSVVFYNWRALRE-AWEZNQCLSA-N 1 1 318.308 1.849 20 5 DDBDMO CN(C(=O)CN1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282926211 217329190 /nfs/dbraw/zinc/32/91/90/217329190.db2.gz FHZXZKQSOUFKDR-UHFFFAOYSA-N 1 1 306.366 1.195 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288484430 220171973 /nfs/dbraw/zinc/17/19/73/220171973.db2.gz PLSCFGJPNHVFSX-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267963862 206365282 /nfs/dbraw/zinc/36/52/82/206365282.db2.gz MWQYLWPDEBTMCO-UHFFFAOYSA-N 1 1 302.334 1.849 20 5 DDBDMO C[NH+](C)C(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000046318006 248195055 /nfs/dbraw/zinc/19/50/55/248195055.db2.gz DIHWDOPZMXESGW-UHFFFAOYSA-N 1 1 305.338 1.541 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859133 249267411 /nfs/dbraw/zinc/26/74/11/249267411.db2.gz FIZDEHBJZDGWGA-PWSUYJOCSA-N 1 1 306.366 1.849 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000042723099 183301581 /nfs/dbraw/zinc/30/15/81/183301581.db2.gz LKYZHXXKETWFFO-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338967546 250224414 /nfs/dbraw/zinc/22/44/14/250224414.db2.gz GODFLCLBOXFASI-CQSZACIVSA-N 1 1 319.361 1.873 20 5 DDBDMO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338967546 250224417 /nfs/dbraw/zinc/22/44/17/250224417.db2.gz GODFLCLBOXFASI-CQSZACIVSA-N 1 1 319.361 1.873 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061380218 184170234 /nfs/dbraw/zinc/17/02/34/184170234.db2.gz OSNQPJXPSLXKQL-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340907084 251269711 /nfs/dbraw/zinc/26/97/11/251269711.db2.gz LEQGREUCZROMJL-AAEUAGOBSA-N 1 1 307.350 1.687 20 5 DDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340968968 251309926 /nfs/dbraw/zinc/30/99/26/251309926.db2.gz DBCWWZJCCVILRK-GFCCVEGCSA-N 1 1 319.361 1.717 20 5 DDBDMO CCC[C@@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000288754320 220395108 /nfs/dbraw/zinc/39/51/08/220395108.db2.gz IGOBWFDBXGGZND-OAHLLOKOSA-N 1 1 309.366 1.241 20 5 DDBDMO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271646965 209091862 /nfs/dbraw/zinc/09/18/62/209091862.db2.gz TYLHWYRXVLBWPM-NWDGAFQWSA-N 1 1 309.366 1.787 20 5 DDBDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120608749 195201297 /nfs/dbraw/zinc/20/12/97/195201297.db2.gz XJEBFNYKCGYMTJ-UHFFFAOYSA-N 1 1 321.377 1.942 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc([N+](=O)[O-])cc1C)C(C)C ZINC000294980681 224355723 /nfs/dbraw/zinc/35/57/23/224355723.db2.gz PDILNDTZPGPSJX-ZDUSSCGKSA-N 1 1 324.381 1.887 20 5 DDBDMO COc1c(C)c[nH+]c(CN(C)Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000451374498 533409255 /nfs/dbraw/zinc/40/92/55/533409255.db2.gz KNUJJNOESVKRDM-UHFFFAOYSA-N 1 1 319.365 1.981 20 5 DDBDMO COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000414493341 533488543 /nfs/dbraw/zinc/48/85/43/533488543.db2.gz IFMNTMWLVBLGPQ-AWEZNQCLSA-N 1 1 321.377 1.440 20 5 DDBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)C1CC1 ZINC000069129048 406682453 /nfs/dbraw/zinc/68/24/53/406682453.db2.gz PHHAENCHRHGANF-QMMMGPOBSA-N 1 1 319.408 1.417 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOCC3CC3)C2)nc1 ZINC000072665240 406884467 /nfs/dbraw/zinc/88/44/67/406884467.db2.gz IJPCRYODZKALBM-CYBMUJFWSA-N 1 1 306.366 1.903 20 5 DDBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000037979690 406996218 /nfs/dbraw/zinc/99/62/18/406996218.db2.gz YACCSXXAFCVFNZ-UHFFFAOYSA-N 1 1 312.757 1.610 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620197 407142466 /nfs/dbraw/zinc/14/24/66/407142466.db2.gz MOQSHNXAACLCJJ-UHFFFAOYSA-N 1 1 315.395 1.750 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832328 407260436 /nfs/dbraw/zinc/26/04/36/407260436.db2.gz PNXKDQNHYBRLJM-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO Cc1c(C(=O)N2CCC[N@H+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000097617891 407300539 /nfs/dbraw/zinc/30/05/39/407300539.db2.gz PTCNJMUWXJGCNZ-UHFFFAOYSA-N 1 1 322.321 1.589 20 5 DDBDMO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000103162119 407332928 /nfs/dbraw/zinc/33/29/28/407332928.db2.gz BUYNPRMKBNBYKX-UHFFFAOYSA-N 1 1 319.408 1.373 20 5 DDBDMO C[C@]1(O)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123856654 407340751 /nfs/dbraw/zinc/34/07/51/407340751.db2.gz GNRNVFNFHCPTHX-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000123856654 407340753 /nfs/dbraw/zinc/34/07/53/407340753.db2.gz GNRNVFNFHCPTHX-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076095 407346333 /nfs/dbraw/zinc/34/63/33/407346333.db2.gz DYBGGNXVQRNWFN-GHMZBOCLSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076095 407346335 /nfs/dbraw/zinc/34/63/35/407346335.db2.gz DYBGGNXVQRNWFN-GHMZBOCLSA-N 1 1 320.349 1.119 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000124357870 407356217 /nfs/dbraw/zinc/35/62/17/407356217.db2.gz WBJSXKARKOMFSE-ZDUSSCGKSA-N 1 1 323.397 1.276 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000108333538 407384028 /nfs/dbraw/zinc/38/40/28/407384028.db2.gz WFIGTMZEWKDZJA-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111262952 407403370 /nfs/dbraw/zinc/40/33/70/407403370.db2.gz QWIJDSXXOHTKFC-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCn1cccn1 ZINC000111280812 407405636 /nfs/dbraw/zinc/40/56/36/407405636.db2.gz MWQTZAXLHFORSA-LBPRGKRZSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cccn1 ZINC000111280812 407405638 /nfs/dbraw/zinc/40/56/38/407405638.db2.gz MWQTZAXLHFORSA-LBPRGKRZSA-N 1 1 317.349 1.750 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000185725553 407488261 /nfs/dbraw/zinc/48/82/61/407488261.db2.gz HTXYQYWGNXIRSH-IAQYHMDHSA-N 1 1 320.393 1.979 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000151792977 407498766 /nfs/dbraw/zinc/49/87/66/407498766.db2.gz OGPODFUSTUFHKG-CHWSQXEVSA-N 1 1 320.349 1.972 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170768228 407499711 /nfs/dbraw/zinc/49/97/11/407499711.db2.gz OWUCDDOSKZKTFU-OCCSQVGLSA-N 1 1 310.350 1.445 20 5 DDBDMO CCC([NH3+])(CC)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261673926 407574306 /nfs/dbraw/zinc/57/43/06/407574306.db2.gz LTFUKWYSWZBSPK-UHFFFAOYSA-N 1 1 319.358 1.530 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000185848079 407520371 /nfs/dbraw/zinc/52/03/71/407520371.db2.gz GQCSALYLVKYGRH-CYBMUJFWSA-N 1 1 323.374 1.230 20 5 DDBDMO CCc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000266893711 407665947 /nfs/dbraw/zinc/66/59/47/407665947.db2.gz FYLBRHWPSJHMTC-UHFFFAOYSA-N 1 1 323.418 1.936 20 5 DDBDMO C[N@H+](CCc1ccccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000152972106 407726143 /nfs/dbraw/zinc/72/61/43/407726143.db2.gz DEJKAMYDUDRJQM-UHFFFAOYSA-N 1 1 302.334 1.326 20 5 DDBDMO O=C1CNC(=O)N1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153223505 407779444 /nfs/dbraw/zinc/77/94/44/407779444.db2.gz GUJXBUGOHZVKCA-UHFFFAOYSA-N 1 1 318.333 1.111 20 5 DDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000272269026 407842495 /nfs/dbraw/zinc/84/24/95/407842495.db2.gz RPRBXHLDBFJYPN-UHFFFAOYSA-N 1 1 311.363 1.135 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000153770590 407899456 /nfs/dbraw/zinc/89/94/56/407899456.db2.gz RGUCPRBJQNBCNY-CYBMUJFWSA-N 1 1 323.397 1.288 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268213358 407952397 /nfs/dbraw/zinc/95/23/97/407952397.db2.gz AZOSRUCRJISFRS-OCCSQVGLSA-N 1 1 320.349 1.972 20 5 DDBDMO C[C@H](CO)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272476167 407940472 /nfs/dbraw/zinc/94/04/72/407940472.db2.gz BJBUIBIZNLUJJS-FZMZJTMJSA-N 1 1 304.350 1.636 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024086 408024399 /nfs/dbraw/zinc/02/43/99/408024399.db2.gz LNIAOFZVFUROPF-MCIONIFRSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024086 408024407 /nfs/dbraw/zinc/02/44/07/408024407.db2.gz LNIAOFZVFUROPF-MCIONIFRSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1C[C@H](C)O ZINC000268479687 408064450 /nfs/dbraw/zinc/06/44/50/408064450.db2.gz LCRLUWVUTSKYIN-WCQYABFASA-N 1 1 308.382 1.580 20 5 DDBDMO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189682961 408081067 /nfs/dbraw/zinc/08/10/67/408081067.db2.gz INNOPVBTPTZUAO-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189682961 408081075 /nfs/dbraw/zinc/08/10/75/408081075.db2.gz INNOPVBTPTZUAO-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189905577 408130763 /nfs/dbraw/zinc/13/07/63/408130763.db2.gz VUHICZKLWTWARC-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO C[N@@H+](CCOCC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273322226 408151265 /nfs/dbraw/zinc/15/12/65/408151265.db2.gz KJFULLBUGGMGMC-AWEZNQCLSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H]1CCC[C@](CNC(=O)c2n[nH]cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137899190 408162051 /nfs/dbraw/zinc/16/20/51/408162051.db2.gz DDEKFQDNLRUUOJ-YGRLFVJLSA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CO ZINC000190422659 408242352 /nfs/dbraw/zinc/24/23/52/408242352.db2.gz AVQZUULGYJRHQY-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225518 408316035 /nfs/dbraw/zinc/31/60/35/408316035.db2.gz LFIMEOLMMKXXMZ-ZDUSSCGKSA-N 1 1 323.397 1.420 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(O)cc3)CC2)n1 ZINC000176189392 408302796 /nfs/dbraw/zinc/30/27/96/408302796.db2.gz SPSSIWMFMFHPOW-UHFFFAOYSA-N 1 1 317.349 1.319 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000263919450 408314452 /nfs/dbraw/zinc/31/44/52/408314452.db2.gz RYWLEWLSVRIXBG-UHFFFAOYSA-N 1 1 309.370 1.193 20 5 DDBDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(N)=O ZINC000133136686 162052298 /nfs/dbraw/zinc/05/22/98/162052298.db2.gz VJYQFEIHFYKSTP-CQSZACIVSA-N 1 1 308.338 1.085 20 5 DDBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000136280261 162117416 /nfs/dbraw/zinc/11/74/16/162117416.db2.gz QAOTUOKRTUBDNK-UHFFFAOYSA-N 1 1 313.277 1.459 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246875996 408359412 /nfs/dbraw/zinc/35/94/12/408359412.db2.gz WJDZJRWWWCUWAE-RYUDHWBXSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246875996 408359416 /nfs/dbraw/zinc/35/94/16/408359416.db2.gz WJDZJRWWWCUWAE-RYUDHWBXSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264063691 408359039 /nfs/dbraw/zinc/35/90/39/408359039.db2.gz ABFQRJLITPWJCP-LLVKDONJSA-N 1 1 315.395 1.603 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247377970 408459284 /nfs/dbraw/zinc/45/92/84/408459284.db2.gz VOFRVNBOCMZUAN-KBPBESRZSA-N 1 1 307.394 1.524 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274496609 408427387 /nfs/dbraw/zinc/42/73/87/408427387.db2.gz GXCYHBIROHYNDL-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160412473 408482243 /nfs/dbraw/zinc/48/22/43/408482243.db2.gz TZFWIXZZRBKJAF-NSHDSACASA-N 1 1 309.370 1.323 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000247943361 408516222 /nfs/dbraw/zinc/51/62/22/408516222.db2.gz HGEKGTVOQDGRMY-YRGRVCCFSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000247943361 408516224 /nfs/dbraw/zinc/51/62/24/408516224.db2.gz HGEKGTVOQDGRMY-YRGRVCCFSA-N 1 1 310.350 1.444 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000274608515 408467727 /nfs/dbraw/zinc/46/77/27/408467727.db2.gz WATRULPULRMRHN-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275543105 408595599 /nfs/dbraw/zinc/59/55/99/408595599.db2.gz ZFKCGJCLFBREOE-SWLSCSKDSA-N 1 1 324.377 1.427 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000265270503 408599523 /nfs/dbraw/zinc/59/95/23/408599523.db2.gz GLKIWLCSIADWGC-ZDUSSCGKSA-N 1 1 305.378 1.938 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000264600812 408541058 /nfs/dbraw/zinc/54/10/58/408541058.db2.gz DNLFFSRQLICARS-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177420513 408611064 /nfs/dbraw/zinc/61/10/64/408611064.db2.gz XGIRREKCSLNIMM-HNNXBMFYSA-N 1 1 308.334 1.859 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177445627 408621182 /nfs/dbraw/zinc/62/11/82/408621182.db2.gz AQOGHTZVQQJTKV-HNNXBMFYSA-N 1 1 308.334 1.988 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000270882016 408724975 /nfs/dbraw/zinc/72/49/75/408724975.db2.gz KGILFXLFFMUKSD-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000270882016 408724977 /nfs/dbraw/zinc/72/49/77/408724977.db2.gz KGILFXLFFMUKSD-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162187826 408677377 /nfs/dbraw/zinc/67/73/77/408677377.db2.gz ZXVLOKSGHZPPDO-GFCCVEGCSA-N 1 1 323.397 1.713 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270936310 408749809 /nfs/dbraw/zinc/74/98/09/408749809.db2.gz REMYATPCYPOOTK-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756987 408771309 /nfs/dbraw/zinc/77/13/09/408771309.db2.gz GITOOJMKOJQUNZ-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000290776147 408831319 /nfs/dbraw/zinc/83/13/19/408831319.db2.gz CBBFMGCYMLBKQR-JTQLQIEISA-N 1 1 310.354 1.546 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCCO ZINC000276440202 408858412 /nfs/dbraw/zinc/85/84/12/408858412.db2.gz UIGFDXIRCTZWOL-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000291614648 408895290 /nfs/dbraw/zinc/89/52/90/408895290.db2.gz AJALGSFWMRNDGH-INIZCTEOSA-N 1 1 318.377 1.486 20 5 DDBDMO Cc1nc(NCCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281648969 408903127 /nfs/dbraw/zinc/90/31/27/408903127.db2.gz NEZCXOMGCSMXOD-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291730421 408913884 /nfs/dbraw/zinc/91/38/84/408913884.db2.gz JNQUXPVYRWGIOO-LSDHHAIUSA-N 1 1 324.377 1.834 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000191364936 163182036 /nfs/dbraw/zinc/18/20/36/163182036.db2.gz DBVUQCMUUUQENG-UHFFFAOYSA-N 1 1 312.333 1.767 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193621991 163261254 /nfs/dbraw/zinc/26/12/54/163261254.db2.gz IOIKFPBAXHVGFH-UPJWGTAASA-N 1 1 318.377 1.415 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@H+](C2CC2)CC1 ZINC000194534720 163287016 /nfs/dbraw/zinc/28/70/16/163287016.db2.gz JDAKNTPQPYMAFP-UHFFFAOYSA-N 1 1 306.322 1.006 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+](C)C2CC2)n1 ZINC000286332333 408965953 /nfs/dbraw/zinc/96/59/53/408965953.db2.gz BKJHXSYMOLICTC-VIFPVBQESA-N 1 1 308.338 1.671 20 5 DDBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000293547835 409135136 /nfs/dbraw/zinc/13/51/36/409135136.db2.gz YRGMMGYWMMWTJV-BETUJISGSA-N 1 1 320.393 1.582 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC000295642030 409359175 /nfs/dbraw/zinc/35/91/75/409359175.db2.gz QUZPNDQGUFOSSN-OAHLLOKOSA-N 1 1 320.349 1.253 20 5 DDBDMO CCOc1cccc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284995657 409392228 /nfs/dbraw/zinc/39/22/28/409392228.db2.gz LREHYTSGIHXJDQ-KBPBESRZSA-N 1 1 321.377 1.903 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295524769 409330193 /nfs/dbraw/zinc/33/01/93/409330193.db2.gz UXHVKJXAAKGJDT-CQSZACIVSA-N 1 1 310.350 1.444 20 5 DDBDMO CS[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296088587 409426407 /nfs/dbraw/zinc/42/64/07/409426407.db2.gz CWKSVTLHCDNBCK-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO CS[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296088587 409426411 /nfs/dbraw/zinc/42/64/11/409426411.db2.gz CWKSVTLHCDNBCK-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000296447463 409560083 /nfs/dbraw/zinc/56/00/83/409560083.db2.gz WWRDHFHUEVHINU-OSAQELSMSA-N 1 1 310.350 1.180 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345167196 409651895 /nfs/dbraw/zinc/65/18/95/409651895.db2.gz XVMKPUBDQJDZCV-RYUDHWBXSA-N 1 1 320.393 1.873 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000357058328 409828811 /nfs/dbraw/zinc/82/88/11/409828811.db2.gz ZTVGJOZOXNFDBN-LLVKDONJSA-N 1 1 309.370 1.132 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354374215 409806619 /nfs/dbraw/zinc/80/66/19/409806619.db2.gz YUWDZAUKWJWKTG-LBPRGKRZSA-N 1 1 308.382 1.928 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357049848 409820593 /nfs/dbraw/zinc/82/05/93/409820593.db2.gz HOLQMOAPOWWGLM-GHMZBOCLSA-N 1 1 309.370 1.273 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000338327079 409911067 /nfs/dbraw/zinc/91/10/67/409911067.db2.gz IZSDRINPSOKHAQ-UHFFFAOYSA-N 1 1 320.324 1.988 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244106 409870941 /nfs/dbraw/zinc/87/09/41/409870941.db2.gz UNJPEFOYRLLDEA-QJPTWQEYSA-N 1 1 321.381 1.131 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000354791076 410090347 /nfs/dbraw/zinc/09/03/47/410090347.db2.gz NURQQYQTHUEEAE-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000343161008 410198207 /nfs/dbraw/zinc/19/82/07/410198207.db2.gz ARDURVMAHMORDV-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000346997053 410300146 /nfs/dbraw/zinc/30/01/46/410300146.db2.gz CBNQOEATZXNIOC-ZYHUDNBSSA-N 1 1 308.334 1.987 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351945776 410357280 /nfs/dbraw/zinc/35/72/80/410357280.db2.gz ULEJACICEDUGJC-GXFFZTMASA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343451723 410465156 /nfs/dbraw/zinc/46/51/56/410465156.db2.gz OLEBVOQRUXOEFW-STQMWFEESA-N 1 1 321.377 1.963 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347335064 410480089 /nfs/dbraw/zinc/48/00/89/410480089.db2.gz NHQVUIIBYNJRFP-NXEZZACHSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343732 410484703 /nfs/dbraw/zinc/48/47/03/410484703.db2.gz SSYNBEYMYRCTFS-QMTHXVAHSA-N 1 1 319.321 1.899 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343596269 410560470 /nfs/dbraw/zinc/56/04/70/410560470.db2.gz GVJTXWZAQRMWTG-ZYHUDNBSSA-N 1 1 306.366 1.849 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355762813 410683291 /nfs/dbraw/zinc/68/32/91/410683291.db2.gz TTZKHGGXFZLWHU-OAHLLOKOSA-N 1 1 324.333 1.103 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000330564877 410781136 /nfs/dbraw/zinc/78/11/36/410781136.db2.gz KLZPJQBIYIOJNJ-KBPBESRZSA-N 1 1 321.377 1.665 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000330564877 410781144 /nfs/dbraw/zinc/78/11/44/410781144.db2.gz KLZPJQBIYIOJNJ-KBPBESRZSA-N 1 1 321.377 1.665 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337437486 410784478 /nfs/dbraw/zinc/78/44/78/410784478.db2.gz XWHIESPGWUSQBO-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330676362 410870518 /nfs/dbraw/zinc/87/05/18/410870518.db2.gz UHCPHSOIBNHLIM-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO COc1ccc(OCC[N@H+](C)Cc2ccnn2C)c([N+](=O)[O-])c1 ZINC000348381909 410940979 /nfs/dbraw/zinc/94/09/79/410940979.db2.gz WXLJZKZGJYWUDZ-UHFFFAOYSA-N 1 1 320.349 1.848 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)Cc2ccnn2C)c([N+](=O)[O-])c1 ZINC000348381909 410940983 /nfs/dbraw/zinc/94/09/83/410940983.db2.gz WXLJZKZGJYWUDZ-UHFFFAOYSA-N 1 1 320.349 1.848 20 5 DDBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc2c(c1)OCO2 ZINC000341292815 410988076 /nfs/dbraw/zinc/98/80/76/410988076.db2.gz HPIPNKPNYCEVHP-VIFPVBQESA-N 1 1 304.306 1.908 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356451578 411039050 /nfs/dbraw/zinc/03/90/50/411039050.db2.gz WTHBDLYEHCOUTL-TUAOUCFPSA-N 1 1 323.397 1.425 20 5 DDBDMO COCC[N@@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580186131 422898387 /nfs/dbraw/zinc/89/83/87/422898387.db2.gz JOCSLDDNIASWFP-UHFFFAOYSA-N 1 1 308.382 1.859 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C(N)=O)CC2 ZINC000374983582 418584189 /nfs/dbraw/zinc/58/41/89/418584189.db2.gz CXLGBAYVCOOHRM-UHFFFAOYSA-N 1 1 319.365 1.153 20 5 DDBDMO C[C@H]1COCC[N@@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000352645460 418645362 /nfs/dbraw/zinc/64/53/62/418645362.db2.gz MDYRVWWCZQEJRK-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@H]1COCC[N@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000352645460 418645364 /nfs/dbraw/zinc/64/53/64/418645364.db2.gz MDYRVWWCZQEJRK-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO COc1ccc(CNc2cc[nH+]c(N(C)C)n2)cc1[N+](=O)[O-] ZINC000354295617 418646916 /nfs/dbraw/zinc/64/69/16/418646916.db2.gz JFWLLXDZNYBCET-UHFFFAOYSA-N 1 1 303.322 2.072 20 5 DDBDMO CCCC[N@@H+](C)CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000342123969 418627063 /nfs/dbraw/zinc/62/70/63/418627063.db2.gz HZXIFXWWJRHSKX-UHFFFAOYSA-N 1 1 324.381 2.229 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361552659 418675771 /nfs/dbraw/zinc/67/57/71/418675771.db2.gz LVBZEPSLWICOKO-OAHLLOKOSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361552659 418675772 /nfs/dbraw/zinc/67/57/72/418675772.db2.gz LVBZEPSLWICOKO-OAHLLOKOSA-N 1 1 320.349 1.039 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000368066178 418683651 /nfs/dbraw/zinc/68/36/51/418683651.db2.gz WHBGBACSAMRRDC-OAHLLOKOSA-N 1 1 309.366 1.097 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361630096 418693517 /nfs/dbraw/zinc/69/35/17/418693517.db2.gz SILWVMMRZGCPMN-RYUDHWBXSA-N 1 1 319.361 1.960 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092749 418787292 /nfs/dbraw/zinc/78/72/92/418787292.db2.gz ZRAIIPQQDYTWGJ-NXEZZACHSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092749 418787294 /nfs/dbraw/zinc/78/72/94/418787294.db2.gz ZRAIIPQQDYTWGJ-NXEZZACHSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092749 418787296 /nfs/dbraw/zinc/78/72/96/418787296.db2.gz ZRAIIPQQDYTWGJ-NXEZZACHSA-N 1 1 309.370 1.606 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365838409 418914047 /nfs/dbraw/zinc/91/40/47/418914047.db2.gz NVNCRWPYYQOHNM-INIZCTEOSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365838409 418914049 /nfs/dbraw/zinc/91/40/49/418914049.db2.gz NVNCRWPYYQOHNM-INIZCTEOSA-N 1 1 319.361 1.689 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952401 419380933 /nfs/dbraw/zinc/38/09/33/419380933.db2.gz XWDXCUIEEUJJLA-RYUDHWBXSA-N 1 1 322.361 1.912 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079913 419635399 /nfs/dbraw/zinc/63/53/99/419635399.db2.gz LKJRHFUZRYJXID-MFKMUULPSA-N 1 1 307.350 1.287 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434419297 229294233 /nfs/dbraw/zinc/29/42/33/229294233.db2.gz KIHBQOVTGCKKCK-NSHDSACASA-N 1 1 319.365 1.319 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000420290192 420184909 /nfs/dbraw/zinc/18/49/09/420184909.db2.gz LMSPBEDFMLCXRQ-DOMZBBRYSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000420290192 420184912 /nfs/dbraw/zinc/18/49/12/420184912.db2.gz LMSPBEDFMLCXRQ-DOMZBBRYSA-N 1 1 320.393 1.983 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430940276 420214239 /nfs/dbraw/zinc/21/42/39/420214239.db2.gz OEYZVWSEALHJLF-ZDUSSCGKSA-N 1 1 320.393 1.773 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000416304217 420321174 /nfs/dbraw/zinc/32/11/74/420321174.db2.gz YRTXKVJVWFEWJT-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000416304217 420321177 /nfs/dbraw/zinc/32/11/77/420321177.db2.gz YRTXKVJVWFEWJT-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302042547 230057957 /nfs/dbraw/zinc/05/79/57/230057957.db2.gz WXOOLKDFBFPMRG-NSHDSACASA-N 1 1 324.406 1.575 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450779375 420529241 /nfs/dbraw/zinc/52/92/41/420529241.db2.gz NIOATPXYNUQDDN-CMPLNLGQSA-N 1 1 320.349 1.307 20 5 DDBDMO CC(=O)c1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450788959 420531337 /nfs/dbraw/zinc/53/13/37/420531337.db2.gz FHDYXIWGQGWLMZ-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450788959 420531343 /nfs/dbraw/zinc/53/13/43/420531343.db2.gz FHDYXIWGQGWLMZ-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCC[N@@H+]1CCO ZINC000450619984 420499792 /nfs/dbraw/zinc/49/97/92/420499792.db2.gz UVUQPTZGNXVGQS-LLVKDONJSA-N 1 1 314.773 1.902 20 5 DDBDMO O=C1CC[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000451048466 420587956 /nfs/dbraw/zinc/58/79/56/420587956.db2.gz KAMLRUBOUZGQKL-LBPRGKRZSA-N 1 1 319.361 1.706 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443434349 420752327 /nfs/dbraw/zinc/75/23/27/420752327.db2.gz HSXQHRLMSDOOFJ-SNVBAGLBSA-N 1 1 303.322 1.785 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456007491 421087991 /nfs/dbraw/zinc/08/79/91/421087991.db2.gz DFDXNKVKXWDYFQ-ZJUUUORDSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456007491 421087994 /nfs/dbraw/zinc/08/79/94/421087994.db2.gz DFDXNKVKXWDYFQ-ZJUUUORDSA-N 1 1 307.354 1.196 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717123 421108169 /nfs/dbraw/zinc/10/81/69/421108169.db2.gz KGBTXMSTHOJIKE-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000456371964 421152784 /nfs/dbraw/zinc/15/27/84/421152784.db2.gz GYQSSCGUSBTQHN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000456371964 421152786 /nfs/dbraw/zinc/15/27/86/421152786.db2.gz GYQSSCGUSBTQHN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456371964 421152790 /nfs/dbraw/zinc/15/27/90/421152790.db2.gz GYQSSCGUSBTQHN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456371964 421152793 /nfs/dbraw/zinc/15/27/93/421152793.db2.gz GYQSSCGUSBTQHN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CNc1nc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515130796 421480102 /nfs/dbraw/zinc/48/01/02/421480102.db2.gz MLQQIIPQAFRTSB-LLVKDONJSA-N 1 1 321.381 1.492 20 5 DDBDMO C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000554856890 421664334 /nfs/dbraw/zinc/66/43/34/421664334.db2.gz DFJDJLAHFOSSTR-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000518878253 421670695 /nfs/dbraw/zinc/67/06/95/421670695.db2.gz ITSNTNQEORYLLY-NSHDSACASA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000540116242 421760939 /nfs/dbraw/zinc/76/09/39/421760939.db2.gz MFONVURWBCCDIR-UHFFFAOYSA-N 1 1 323.397 1.521 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000540932522 421777558 /nfs/dbraw/zinc/77/75/58/421777558.db2.gz CPYOISRWWXLIBB-NSHDSACASA-N 1 1 307.350 1.761 20 5 DDBDMO CC(C)Oc1nc(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000581558559 422002721 /nfs/dbraw/zinc/00/27/21/422002721.db2.gz URSGGXLQVLQPTA-UHFFFAOYSA-N 1 1 324.381 1.281 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000299236948 271009032 /nfs/dbraw/zinc/00/90/32/271009032.db2.gz OFNKKUDHVNAWBS-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341682534 271167435 /nfs/dbraw/zinc/16/74/35/271167435.db2.gz CRDNIDLTWVSBOY-ZIAGYGMSSA-N 1 1 321.377 1.505 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344414495 272019356 /nfs/dbraw/zinc/01/93/56/272019356.db2.gz AVDLWQIOGHIUDB-ZWNOBZJWSA-N 1 1 320.349 1.132 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345971490 272379837 /nfs/dbraw/zinc/37/98/37/272379837.db2.gz VEPSMEUYDGFAGB-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO COc1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000193707599 274151320 /nfs/dbraw/zinc/15/13/20/274151320.db2.gz MVOPIBYAADTHTQ-UHFFFAOYSA-N 1 1 316.361 1.901 20 5 DDBDMO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000487740063 274360750 /nfs/dbraw/zinc/36/07/50/274360750.db2.gz OISMXIVUYPDMPC-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000420606983 277084459 /nfs/dbraw/zinc/08/44/59/277084459.db2.gz ZBXYWDQTLAGUIX-WCQYABFASA-N 1 1 318.377 1.614 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000298473597 281015306 /nfs/dbraw/zinc/01/53/06/281015306.db2.gz UCOUIHQWFVCCDQ-UHFFFAOYSA-N 1 1 321.377 1.836 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450832980 288285638 /nfs/dbraw/zinc/28/56/38/288285638.db2.gz SGTVFKXGQMRYSA-JTQLQIEISA-N 1 1 307.354 1.009 20 5 DDBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)C[C@@H](C)O1 ZINC000408361177 297020224 /nfs/dbraw/zinc/02/02/24/297020224.db2.gz CWTZINGHSUPRHL-UPJWGTAASA-N 1 1 323.397 1.406 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444038 300064471 /nfs/dbraw/zinc/06/44/71/300064471.db2.gz BRXQEAZRXZLQIJ-BXUZGUMPSA-N 1 1 306.366 1.321 20 5 DDBDMO O=C([C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000363106477 300212132 /nfs/dbraw/zinc/21/21/32/300212132.db2.gz NJWMRNWIMRIZLJ-ZDUSSCGKSA-N 1 1 321.381 1.268 20 5 DDBDMO O=C([C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000363106477 300212135 /nfs/dbraw/zinc/21/21/35/300212135.db2.gz NJWMRNWIMRIZLJ-ZDUSSCGKSA-N 1 1 321.381 1.268 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000370095053 301274841 /nfs/dbraw/zinc/27/48/41/301274841.db2.gz RDARFGGVVWUZON-CABCVRRESA-N 1 1 324.381 1.187 20 5 DDBDMO O=C1OC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370560203 301365093 /nfs/dbraw/zinc/36/50/93/301365093.db2.gz XNWHNZSZXCLTSI-ZDUSSCGKSA-N 1 1 321.333 1.500 20 5 DDBDMO O=C1OC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370560203 301365095 /nfs/dbraw/zinc/36/50/95/301365095.db2.gz XNWHNZSZXCLTSI-ZDUSSCGKSA-N 1 1 321.333 1.500 20 5 DDBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000373676325 301714466 /nfs/dbraw/zinc/71/44/66/301714466.db2.gz VSFOHHZQMKZGFL-NSHDSACASA-N 1 1 315.333 1.626 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@](O)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377260448 302160707 /nfs/dbraw/zinc/16/07/07/302160707.db2.gz DUQRMUCZLJJDHM-MRXNPFEDSA-N 1 1 319.361 1.404 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 ZINC000377791129 302233979 /nfs/dbraw/zinc/23/39/79/302233979.db2.gz ZDLPFZIAUNBWFZ-GXTWGEPZSA-N 1 1 306.366 1.825 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000378015723 302263927 /nfs/dbraw/zinc/26/39/27/302263927.db2.gz ZZMDDGDRRDBWTA-CYBMUJFWSA-N 1 1 321.377 1.652 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310168 302310509 /nfs/dbraw/zinc/31/05/09/302310509.db2.gz UHKFMKLURDJEOO-NEPJUHHUSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@@H+]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310168 302310513 /nfs/dbraw/zinc/31/05/13/302310513.db2.gz UHKFMKLURDJEOO-NEPJUHHUSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310168 302310517 /nfs/dbraw/zinc/31/05/17/302310517.db2.gz UHKFMKLURDJEOO-NEPJUHHUSA-N 1 1 315.333 1.146 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378546580 302333614 /nfs/dbraw/zinc/33/36/14/302333614.db2.gz WQCBQZTZKHDLHZ-MNOVXSKESA-N 1 1 304.350 1.534 20 5 DDBDMO Cc1nc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000364013659 307039997 /nfs/dbraw/zinc/03/99/97/307039997.db2.gz GXRMFDCSRDQPER-UHFFFAOYSA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1nnc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)[nH]1 ZINC000364013659 307039998 /nfs/dbraw/zinc/03/99/98/307039998.db2.gz GXRMFDCSRDQPER-UHFFFAOYSA-N 1 1 305.342 1.097 20 5 DDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCOCC(F)F)C2)c1 ZINC000365295490 307064108 /nfs/dbraw/zinc/06/41/08/307064108.db2.gz XSYRZXASBSABMF-JTQLQIEISA-N 1 1 304.297 1.710 20 5 DDBDMO COCCC[N@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000367420220 307092840 /nfs/dbraw/zinc/09/28/40/307092840.db2.gz PHADLZGAGYZYRF-UHFFFAOYSA-N 1 1 308.382 1.726 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000371808709 307158187 /nfs/dbraw/zinc/15/81/87/307158187.db2.gz KEESLKMIGGUNTL-CQSZACIVSA-N 1 1 307.350 1.262 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000371808709 307158188 /nfs/dbraw/zinc/15/81/88/307158188.db2.gz KEESLKMIGGUNTL-CQSZACIVSA-N 1 1 307.350 1.262 20 5 DDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000373393260 307187214 /nfs/dbraw/zinc/18/72/14/307187214.db2.gz OLYFTETWVXAADH-NSHDSACASA-N 1 1 302.338 1.813 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377647620 307275587 /nfs/dbraw/zinc/27/55/87/307275587.db2.gz FSEYZLZFOIDPIT-CMPLNLGQSA-N 1 1 320.305 1.071 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000377647620 307275588 /nfs/dbraw/zinc/27/55/88/307275588.db2.gz FSEYZLZFOIDPIT-CMPLNLGQSA-N 1 1 320.305 1.071 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000584649409 337380497 /nfs/dbraw/zinc/38/04/97/337380497.db2.gz INEGSBQGXVAGSR-VXGBXAGGSA-N 1 1 309.370 1.029 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728636 484215638 /nfs/dbraw/zinc/21/56/38/484215638.db2.gz FLAAXYDCEIKKJP-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO CS[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308206 533979009 /nfs/dbraw/zinc/97/90/09/533979009.db2.gz AFGFPSSGHFQTRT-GXTWGEPZSA-N 1 1 312.391 1.772 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452393408 534333590 /nfs/dbraw/zinc/33/35/90/534333590.db2.gz SNAWSYIILAMRKX-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000332522017 534886104 /nfs/dbraw/zinc/88/61/04/534886104.db2.gz CNWFDFILEBSBSJ-UHFFFAOYSA-N 1 1 320.393 1.049 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@](CO)(COC)C2)ccc1[N+](=O)[O-] ZINC000451940466 528265005 /nfs/dbraw/zinc/26/50/05/528265005.db2.gz YHGSAABZGIAQAQ-MRXNPFEDSA-N 1 1 324.377 1.824 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000331744404 528549749 /nfs/dbraw/zinc/54/97/49/528549749.db2.gz YFZFDLCICWNKPK-JQWIXIFHSA-N 1 1 321.381 1.627 20 5 DDBDMO CC[N@@H+]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000821241149 606731220 /nfs/dbraw/zinc/73/12/20/606731220.db2.gz KGNQDKJJBORQJO-CABZTGNLSA-N 1 1 317.353 1.527 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176091942 697401143 /nfs/dbraw/zinc/40/11/43/697401143.db2.gz KKWQBNUWVVAQGP-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000178776420 697428801 /nfs/dbraw/zinc/42/88/01/697428801.db2.gz FIHTXOUJZPHTFF-GFCCVEGCSA-N 1 1 318.333 1.930 20 5 DDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273990 698090980 /nfs/dbraw/zinc/09/09/80/698090980.db2.gz AXGSRGHDSOMRKZ-HNNXBMFYSA-N 1 1 304.350 1.884 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590911 698123750 /nfs/dbraw/zinc/12/37/50/698123750.db2.gz MFRSJDQBNAWYMN-KGLIPLIRSA-N 1 1 308.334 1.656 20 5 DDBDMO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000262029355 698451058 /nfs/dbraw/zinc/45/10/58/698451058.db2.gz NWCIBXVFWBSOLY-HNNXBMFYSA-N 1 1 320.393 1.414 20 5 DDBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000262029355 698451062 /nfs/dbraw/zinc/45/10/62/698451062.db2.gz NWCIBXVFWBSOLY-HNNXBMFYSA-N 1 1 320.393 1.414 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000780864927 698564621 /nfs/dbraw/zinc/56/46/21/698564621.db2.gz HCWFWBSYDGOKMP-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000741720106 699848987 /nfs/dbraw/zinc/84/89/87/699848987.db2.gz DZIJVNBNCURBSR-ONGXEEELSA-N 1 1 322.321 1.716 20 5 DDBDMO C[C@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751926662 700326768 /nfs/dbraw/zinc/32/67/68/700326768.db2.gz VGCWYKZGVPBFGK-NSHDSACASA-N 1 1 318.333 1.805 20 5 DDBDMO C[C@H]1CCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751926662 700326772 /nfs/dbraw/zinc/32/67/72/700326772.db2.gz VGCWYKZGVPBFGK-NSHDSACASA-N 1 1 318.333 1.805 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801886759 700350506 /nfs/dbraw/zinc/35/05/06/700350506.db2.gz FMOWRJFEIVLXAY-VIFPVBQESA-N 1 1 310.329 1.388 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761066241 700837873 /nfs/dbraw/zinc/83/78/73/700837873.db2.gz BFAHBINMVXCTCI-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761066241 700837875 /nfs/dbraw/zinc/83/78/75/700837875.db2.gz BFAHBINMVXCTCI-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761066241 700837876 /nfs/dbraw/zinc/83/78/76/700837876.db2.gz BFAHBINMVXCTCI-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000761075717 700839925 /nfs/dbraw/zinc/83/99/25/700839925.db2.gz LHYAAAOGCITWNF-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1C ZINC000761075717 700839928 /nfs/dbraw/zinc/83/99/28/700839928.db2.gz LHYAAAOGCITWNF-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000761076781 700840453 /nfs/dbraw/zinc/84/04/53/700840453.db2.gz JQYYWKMFXYAWME-GFCCVEGCSA-N 1 1 318.377 1.120 20 5 DDBDMO C[C@@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000766028173 701034770 /nfs/dbraw/zinc/03/47/70/701034770.db2.gz UXWOMRDUAOLYJZ-UIBBOPPKSA-N 1 1 323.393 1.061 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000766028173 701034771 /nfs/dbraw/zinc/03/47/71/701034771.db2.gz UXWOMRDUAOLYJZ-UIBBOPPKSA-N 1 1 323.393 1.061 20 5 DDBDMO C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@]1(C)C(=O)NC2=O ZINC000879158114 706602001 /nfs/dbraw/zinc/60/20/01/706602001.db2.gz NQTQHNGEDUAWLS-GASCZTMLSA-N 1 1 321.308 1.219 20 5 DDBDMO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839526349 701725407 /nfs/dbraw/zinc/72/54/07/701725407.db2.gz DYODSCVJVDHVKK-UPJWGTAASA-N 1 1 311.407 1.912 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000810841891 701859644 /nfs/dbraw/zinc/85/96/44/701859644.db2.gz RCVGLIZQNKHORD-WDEREUQCSA-N 1 1 308.338 1.595 20 5 DDBDMO CCOC(C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OCC ZINC000879271951 706636647 /nfs/dbraw/zinc/63/66/47/706636647.db2.gz JOUQEZPFFDLPIM-HNNXBMFYSA-N 1 1 312.366 1.791 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC000879362118 706661527 /nfs/dbraw/zinc/66/15/27/706661527.db2.gz BAKZZEYFVWYWQF-IINYFYTJSA-N 1 1 314.769 1.813 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC000879362118 706661531 /nfs/dbraw/zinc/66/15/31/706661531.db2.gz BAKZZEYFVWYWQF-IINYFYTJSA-N 1 1 314.769 1.813 20 5 DDBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(CN)CCC1 ZINC000843389332 702872018 /nfs/dbraw/zinc/87/20/18/702872018.db2.gz OYRYJHKDIGIHHN-UHFFFAOYSA-N 1 1 324.356 1.876 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(CN)CCC1 ZINC000843389332 702872021 /nfs/dbraw/zinc/87/20/21/702872021.db2.gz OYRYJHKDIGIHHN-UHFFFAOYSA-N 1 1 324.356 1.876 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534847 706711499 /nfs/dbraw/zinc/71/14/99/706711499.db2.gz YXNWXTUQXWJGDI-LEWSCRJBSA-N 1 1 317.345 1.511 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000844334207 703016614 /nfs/dbraw/zinc/01/66/14/703016614.db2.gz VHKHQAVCPNLAGO-ZDUSSCGKSA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000844334207 703016617 /nfs/dbraw/zinc/01/66/17/703016617.db2.gz VHKHQAVCPNLAGO-ZDUSSCGKSA-N 1 1 308.334 1.727 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846292537 703262694 /nfs/dbraw/zinc/26/26/94/703262694.db2.gz WIZCHAUDIGIBAS-HNNXBMFYSA-N 1 1 323.393 1.722 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000847486665 703425631 /nfs/dbraw/zinc/42/56/31/703425631.db2.gz CPBXLFKQXPMKQG-UHFFFAOYSA-N 1 1 318.337 1.322 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848790413 703589723 /nfs/dbraw/zinc/58/97/23/703589723.db2.gz MOKNJOJQUUNCBP-NSHDSACASA-N 1 1 322.365 1.992 20 5 DDBDMO CC1(C)OC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851715513 703835787 /nfs/dbraw/zinc/83/57/87/703835787.db2.gz WXXSQVUWFMOXIT-HNNXBMFYSA-N 1 1 321.377 1.868 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1F ZINC000852313303 704007621 /nfs/dbraw/zinc/00/76/21/704007621.db2.gz GFOQTVRTBYHCGZ-GFCCVEGCSA-N 1 1 305.313 1.848 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000818963296 704036129 /nfs/dbraw/zinc/03/61/29/704036129.db2.gz NTSXJOWQFLYJAS-SQWLQELKSA-N 1 1 305.378 1.845 20 5 DDBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828430 704137764 /nfs/dbraw/zinc/13/77/64/704137764.db2.gz QRQPRUWLHZBPDX-UBHUBRDASA-N 1 1 322.365 1.912 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1C(=O)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000870828430 704137766 /nfs/dbraw/zinc/13/77/66/704137766.db2.gz QRQPRUWLHZBPDX-UBHUBRDASA-N 1 1 322.365 1.912 20 5 DDBDMO CO[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000870927748 704171875 /nfs/dbraw/zinc/17/18/75/704171875.db2.gz FHAFOIOVYGIODF-XFJVYGCCSA-N 1 1 321.377 1.652 20 5 DDBDMO CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000855489991 704487515 /nfs/dbraw/zinc/48/75/15/704487515.db2.gz FGRNCESYXZIEMV-LBPRGKRZSA-N 1 1 306.366 1.733 20 5 DDBDMO Nc1ccc(NC(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000823955967 705344813 /nfs/dbraw/zinc/34/48/13/705344813.db2.gz LXWCNTHDMPTZRW-UHFFFAOYSA-N 1 1 323.353 1.021 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823993248 705350954 /nfs/dbraw/zinc/35/09/54/705350954.db2.gz BQFYITKEEGOAGK-JTQLQIEISA-N 1 1 307.354 1.640 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342993 705435208 /nfs/dbraw/zinc/43/52/08/705435208.db2.gz FZEDVKNEXREHRF-FZMZJTMJSA-N 1 1 311.338 1.199 20 5 DDBDMO COc1cc(C(=O)OCC[NH+]2CCC2)c([N+](=O)[O-])cc1OC ZINC000861384173 705451632 /nfs/dbraw/zinc/45/16/32/705451632.db2.gz GVIPUJRQRMGJRB-UHFFFAOYSA-N 1 1 310.306 1.475 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000825087974 705597679 /nfs/dbraw/zinc/59/76/79/705597679.db2.gz GSDKYRMDNGCOMI-LBPRGKRZSA-N 1 1 307.350 1.008 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278613 705967057 /nfs/dbraw/zinc/96/70/57/705967057.db2.gz XLANGEAKKQFEIA-WCQYABFASA-N 1 1 318.377 1.803 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375176 705989373 /nfs/dbraw/zinc/98/93/73/705989373.db2.gz TYKVNXYNKGPWBD-STQMWFEESA-N 1 1 319.361 1.770 20 5 DDBDMO Cn1cc(CN2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])n1 ZINC000877495972 706123594 /nfs/dbraw/zinc/12/35/94/706123594.db2.gz JGQAWNFIPKBXAE-UHFFFAOYSA-N 1 1 307.398 1.636 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000877653513 706171178 /nfs/dbraw/zinc/17/11/78/706171178.db2.gz LNAZGLBVRFOZPA-INIZCTEOSA-N 1 1 316.361 1.812 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136795 706887527 /nfs/dbraw/zinc/88/75/27/706887527.db2.gz SGDINAJZXIAXOI-BZUAXINKSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136795 706887529 /nfs/dbraw/zinc/88/75/29/706887529.db2.gz SGDINAJZXIAXOI-BZUAXINKSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136795 706887530 /nfs/dbraw/zinc/88/75/30/706887530.db2.gz SGDINAJZXIAXOI-BZUAXINKSA-N 1 1 305.378 1.797 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148201 706892647 /nfs/dbraw/zinc/89/26/47/706892647.db2.gz SYCXPVRGVVWPLU-OLZOCXBDSA-N 1 1 324.377 1.427 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880314069 706938248 /nfs/dbraw/zinc/93/82/48/706938248.db2.gz VEFZMIAQGJZTPB-BETUJISGSA-N 1 1 307.325 1.644 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000880419754 706968289 /nfs/dbraw/zinc/96/82/89/706968289.db2.gz PPJAXSIWPNHPSJ-YMTOWFKASA-N 1 1 309.297 1.129 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458977 707008779 /nfs/dbraw/zinc/00/87/79/707008779.db2.gz RIGODNAOMYOISR-HOCLYGCPSA-N 1 1 319.361 1.182 20 5 DDBDMO CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000871966741 707258287 /nfs/dbraw/zinc/25/82/87/707258287.db2.gz WPXDNHMIZGKBKU-CYBMUJFWSA-N 1 1 323.393 1.239 20 5 DDBDMO Cc1c(C[NH2+]C[C@@H](C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873044703 707706565 /nfs/dbraw/zinc/70/65/65/707706565.db2.gz VTSAIGHNRXIOEI-CYBMUJFWSA-N 1 1 306.410 1.629 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000882766583 707783717 /nfs/dbraw/zinc/78/37/17/707783717.db2.gz LIVGHCPKKWCRKY-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000882766583 707783723 /nfs/dbraw/zinc/78/37/23/707783723.db2.gz LIVGHCPKKWCRKY-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897094864 708228476 /nfs/dbraw/zinc/22/84/76/708228476.db2.gz OAITYVHXEIWHKG-UHFFFAOYSA-N 1 1 323.353 1.187 20 5 DDBDMO C[N@@H+](CCO)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000884825334 708388470 /nfs/dbraw/zinc/38/84/70/708388470.db2.gz QKXDKYAEXWBEOZ-UHFFFAOYSA-N 1 1 308.260 1.345 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886207575 708714771 /nfs/dbraw/zinc/71/47/71/708714771.db2.gz GNZGGQIPUCGZPH-CYBMUJFWSA-N 1 1 306.366 1.728 20 5 DDBDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841649 708859437 /nfs/dbraw/zinc/85/94/37/708859437.db2.gz RLAJDBNPGDCLFN-RBSFLKMASA-N 1 1 320.393 1.851 20 5 DDBDMO COc1cc2c(cc1O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000887105220 708956542 /nfs/dbraw/zinc/95/65/42/708956542.db2.gz MBAIWUXXXMBJIC-UHFFFAOYSA-N 1 1 318.333 1.564 20 5 DDBDMO COc1cc2c(cc1O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000887105220 708956545 /nfs/dbraw/zinc/95/65/45/708956545.db2.gz MBAIWUXXXMBJIC-UHFFFAOYSA-N 1 1 318.333 1.564 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811835 713098393 /nfs/dbraw/zinc/09/83/93/713098393.db2.gz ORXQGARZATYAPZ-PWSUYJOCSA-N 1 1 323.397 1.819 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910284316 709864997 /nfs/dbraw/zinc/86/49/97/709864997.db2.gz NIMKYRAVKUSFPO-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910284316 709865002 /nfs/dbraw/zinc/86/50/02/709865002.db2.gz NIMKYRAVKUSFPO-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910284316 709865008 /nfs/dbraw/zinc/86/50/08/709865008.db2.gz NIMKYRAVKUSFPO-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO O=[N+]([O-])c1c2nonc2ccc1NCC[NH+]1CCSCC1 ZINC000892490350 710446283 /nfs/dbraw/zinc/44/62/83/710446283.db2.gz ROEBGKDHIUWMID-UHFFFAOYSA-N 1 1 309.351 1.592 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452034 713203223 /nfs/dbraw/zinc/20/32/23/713203223.db2.gz MNJPKXBZVBTAQL-DOMZBBRYSA-N 1 1 320.393 1.996 20 5 DDBDMO COc1c(O)ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893668090 710769662 /nfs/dbraw/zinc/76/96/62/710769662.db2.gz CXBDJEYSERJQBN-GHMZBOCLSA-N 1 1 309.366 1.833 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000928556739 713225535 /nfs/dbraw/zinc/22/55/35/713225535.db2.gz CAOHQTIJYVROGC-NSHDSACASA-N 1 1 309.341 1.832 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000928556739 713225537 /nfs/dbraw/zinc/22/55/37/713225537.db2.gz CAOHQTIJYVROGC-NSHDSACASA-N 1 1 309.341 1.832 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC000903214997 711068966 /nfs/dbraw/zinc/06/89/66/711068966.db2.gz DBESIQNIKFCWBM-GFCCVEGCSA-N 1 1 311.363 1.064 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000928569236 713232240 /nfs/dbraw/zinc/23/22/40/713232240.db2.gz LSBCDFVBIXYUSO-GFCCVEGCSA-N 1 1 307.350 1.492 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1CO ZINC000894890915 711310904 /nfs/dbraw/zinc/31/09/04/711310904.db2.gz WGCWYDAJMVJBKB-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CN(C)CC[N@H+]1C ZINC000895246833 711464805 /nfs/dbraw/zinc/46/48/05/711464805.db2.gz QNLVKDDNNJISRN-QMTHXVAHSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@H+](C)CCN1C ZINC000895246833 711464816 /nfs/dbraw/zinc/46/48/16/711464816.db2.gz QNLVKDDNNJISRN-QMTHXVAHSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@@H+](C)CCN1C ZINC000895246833 711464817 /nfs/dbraw/zinc/46/48/17/711464817.db2.gz QNLVKDDNNJISRN-QMTHXVAHSA-N 1 1 318.381 1.517 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000895703735 711582583 /nfs/dbraw/zinc/58/25/83/711582583.db2.gz ONLYQPWFAWEBAX-LJEUOOAZSA-N 1 1 320.345 1.608 20 5 DDBDMO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C[NH3+] ZINC000904410716 711854446 /nfs/dbraw/zinc/85/44/46/711854446.db2.gz FYBCPMLRQTXRGB-NWDGAFQWSA-N 1 1 321.377 1.783 20 5 DDBDMO CC1(C)CC[N@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905680496 712116297 /nfs/dbraw/zinc/11/62/97/712116297.db2.gz XATSKXFJMVAODL-HNNXBMFYSA-N 1 1 307.394 1.950 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905680496 712116299 /nfs/dbraw/zinc/11/62/99/712116299.db2.gz XATSKXFJMVAODL-HNNXBMFYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000913930632 713321462 /nfs/dbraw/zinc/32/14/62/713321462.db2.gz KEDWXUQPKIHLSM-FZMZJTMJSA-N 1 1 321.381 1.399 20 5 DDBDMO CCOCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000929171994 713561088 /nfs/dbraw/zinc/56/10/88/713561088.db2.gz SVLFARQSRBWNJW-UHFFFAOYSA-N 1 1 324.381 1.165 20 5 DDBDMO O=[N+]([O-])CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000929223568 713570191 /nfs/dbraw/zinc/57/01/91/713570191.db2.gz YAOZQOFROFPDIO-UHFFFAOYSA-N 1 1 313.785 1.613 20 5 DDBDMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929887083 713713364 /nfs/dbraw/zinc/71/33/64/713713364.db2.gz JPVSZFVDWYBHOW-JTQLQIEISA-N 1 1 312.757 1.662 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930100059 713755966 /nfs/dbraw/zinc/75/59/66/713755966.db2.gz QDKGLUFLPGOQJR-ZDUSSCGKSA-N 1 1 304.346 1.901 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCC3(COC3)O1)C2 ZINC000930100059 713755967 /nfs/dbraw/zinc/75/59/67/713755967.db2.gz QDKGLUFLPGOQJR-ZDUSSCGKSA-N 1 1 304.346 1.901 20 5 DDBDMO COC1(OC)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000931639125 714146557 /nfs/dbraw/zinc/14/65/57/714146557.db2.gz HRXSNKGRYHOMBD-BXUZGUMPSA-N 1 1 310.350 1.712 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346794 714315377 /nfs/dbraw/zinc/31/53/77/714315377.db2.gz KUWZHCYPKDBHCG-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[NH2+]CC[C@H]1NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923369576 714330531 /nfs/dbraw/zinc/33/05/31/714330531.db2.gz KZNCDGMDVNUSMO-SWLSCSKDSA-N 1 1 323.393 1.312 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646851 714374768 /nfs/dbraw/zinc/37/47/68/714374768.db2.gz UTYMGRMWIGRXTA-OCCSQVGLSA-N 1 1 308.334 1.513 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646855 714374979 /nfs/dbraw/zinc/37/49/79/714374979.db2.gz UTYMGRMWIGRXTA-TZMCWYRMSA-N 1 1 308.334 1.513 20 5 DDBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)CCO ZINC000925001486 714722505 /nfs/dbraw/zinc/72/25/05/714722505.db2.gz OFXJTIMMBJSHDO-UHFFFAOYSA-N 1 1 315.757 1.211 20 5 DDBDMO COc1cc(C[NH2+][C@@H]2COCC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000934038530 714728736 /nfs/dbraw/zinc/72/87/36/714728736.db2.gz BVSNRGDYXUROIF-DGCLKSJQSA-N 1 1 314.313 1.636 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000935169269 714994016 /nfs/dbraw/zinc/99/40/16/714994016.db2.gz YWZQJRPKMBNCBK-WDEREUQCSA-N 1 1 309.370 1.041 20 5 DDBDMO Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000940108146 716627712 /nfs/dbraw/zinc/62/77/12/716627712.db2.gz WTPZNHLRPVYGPG-CHWSQXEVSA-N 1 1 322.365 1.119 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946589240 718844014 /nfs/dbraw/zinc/84/40/14/718844014.db2.gz NLLIQXZNUVQWAH-XJFOESAGSA-N 1 1 313.373 1.182 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946589240 718844015 /nfs/dbraw/zinc/84/40/15/718844015.db2.gz NLLIQXZNUVQWAH-XJFOESAGSA-N 1 1 313.373 1.182 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946589240 718844018 /nfs/dbraw/zinc/84/40/18/718844018.db2.gz NLLIQXZNUVQWAH-XJFOESAGSA-N 1 1 313.373 1.182 20 5 DDBDMO C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@H]1C[N@@H+](C)CCN1C ZINC001120960721 782258528 /nfs/dbraw/zinc/25/85/28/782258528.db2.gz WTKRFGWXGPFIAZ-IAQYHMDHSA-N 1 1 319.409 1.609 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105459928 741849196 /nfs/dbraw/zinc/84/91/96/741849196.db2.gz LWLPVKNVVOBPIQ-UHFFFAOYSA-N 1 1 323.397 1.226 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC001187198041 744515901 /nfs/dbraw/zinc/51/59/01/744515901.db2.gz DBAOMCHFMOCAQQ-SECBINFHSA-N 1 1 317.305 1.318 20 5 DDBDMO COc1cc(C)c([N+](=O)[O-])cc1NCCC[NH+]1CCN(C)CC1 ZINC001161708492 745307678 /nfs/dbraw/zinc/30/76/78/745307678.db2.gz LZCYEFHOTIOJLD-UHFFFAOYSA-N 1 1 322.409 1.961 20 5 DDBDMO O=C(NCC1C[NH+](CCCc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662560 747337597 /nfs/dbraw/zinc/33/75/97/747337597.db2.gz HZDVUHOQGFGSOT-ZIAGYGMSSA-N 1 1 323.418 1.394 20 5 DDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc[nH]c1 ZINC001031690497 747383391 /nfs/dbraw/zinc/38/33/91/747383391.db2.gz MEQFVHRNOJMRRC-UHFFFAOYSA-N 1 1 314.345 1.785 20 5 DDBDMO Cc1ccc(C[NH2+][C@](C)(Cn2cccn2)C(N)=O)cc1[N+](=O)[O-] ZINC001198575368 747531346 /nfs/dbraw/zinc/53/13/46/747531346.db2.gz VGRWRFHLKCBOGD-OAHLLOKOSA-N 1 1 317.349 1.134 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997773602 751269815 /nfs/dbraw/zinc/26/98/15/751269815.db2.gz WRZHSDNYSFYBEJ-HUUCEWRRSA-N 1 1 309.410 1.670 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785272 758362219 /nfs/dbraw/zinc/36/22/19/758362219.db2.gz ZZQIEMZNCHWRON-WFASDCNBSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1ncsc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082988 760943718 /nfs/dbraw/zinc/94/37/18/760943718.db2.gz JXAWRZAUIWPMJK-WRWGMCAJSA-N 1 1 324.406 1.101 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](F)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327851 766254131 /nfs/dbraw/zinc/25/41/31/766254131.db2.gz IIKWAZPQSJXIMY-ZBINZKHDSA-N 1 1 312.341 1.939 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2ccccn2)CC1 ZINC001045436992 766305830 /nfs/dbraw/zinc/30/58/30/766305830.db2.gz ZXGMERIHCVAUQM-ZIAGYGMSSA-N 1 1 318.377 1.218 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173221012 777053088 /nfs/dbraw/zinc/05/30/88/777053088.db2.gz FGARWIVFGRAKBR-MLGOLLRUSA-N 1 1 303.362 1.738 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243246 778092735 /nfs/dbraw/zinc/09/27/35/778092735.db2.gz NJRVTAPAOYXVHT-YGRLFVJLSA-N 1 1 324.337 1.602 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1[N+](=O)[O-] ZINC001176243246 778092742 /nfs/dbraw/zinc/09/27/42/778092742.db2.gz NJRVTAPAOYXVHT-YGRLFVJLSA-N 1 1 324.337 1.602 20 5 DDBDMO C[C@](O)(C[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307070 781400423 /nfs/dbraw/zinc/40/04/23/781400423.db2.gz ZOSCEALOKGQACL-SJORKVTESA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@](O)(C[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001119307070 781400426 /nfs/dbraw/zinc/40/04/26/781400426.db2.gz ZOSCEALOKGQACL-SJORKVTESA-N 1 1 320.389 1.865 20 5 DDBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccon1 ZINC001268515538 840356923 /nfs/dbraw/zinc/35/69/23/840356923.db2.gz CCJCLTQRAMVKLJ-OWOJBTEDSA-N 1 1 322.346 1.720 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863869 862525103 /nfs/dbraw/zinc/52/51/03/862525103.db2.gz JVPRZNIRYYQNEO-QWHCGFSZSA-N 1 1 305.382 1.476 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001156828109 863372543 /nfs/dbraw/zinc/37/25/43/863372543.db2.gz JTIAZRBHDDXRMB-CQSZACIVSA-N 1 1 320.393 1.853 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC001157043163 863534412 /nfs/dbraw/zinc/53/44/12/863534412.db2.gz DLXBRPQDHFWJPH-UHFFFAOYSA-N 1 1 313.339 1.359 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160160329 865703868 /nfs/dbraw/zinc/70/38/68/865703868.db2.gz JELZJLSSINRPRG-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001320786414 867026437 /nfs/dbraw/zinc/02/64/37/867026437.db2.gz ONEBDZLCOODHQS-KGLIPLIRSA-N 1 1 307.350 1.903 20 5 DDBDMO CCc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001321053196 867269569 /nfs/dbraw/zinc/26/95/69/867269569.db2.gz XGZKODWLSKNVED-ILNYKDOHSA-N 1 1 317.389 1.676 20 5 DDBDMO C[N@@H+]1CCc2c(Nc3c[nH]c(=O)nc3N)ccc([N+](=O)[O-])c2C1 ZINC001162796634 867829917 /nfs/dbraw/zinc/82/99/17/867829917.db2.gz MQVIRJZCDSIAPH-UHFFFAOYSA-N 1 1 316.321 1.404 20 5 DDBDMO C[N@H+]1CCc2c(Nc3c[nH]c(=O)nc3N)ccc([N+](=O)[O-])c2C1 ZINC001162796634 867829933 /nfs/dbraw/zinc/82/99/33/867829933.db2.gz MQVIRJZCDSIAPH-UHFFFAOYSA-N 1 1 316.321 1.404 20 5 DDBDMO COc1cc(-c2nnc(C[NH+](C)C)o2)c([N+](=O)[O-])cc1OC ZINC001322340255 868123230 /nfs/dbraw/zinc/12/32/30/868123230.db2.gz QINFXXNFSOQPNF-UHFFFAOYSA-N 1 1 308.294 1.724 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001322508684 868212322 /nfs/dbraw/zinc/21/23/22/868212322.db2.gz DSCBPRSDGRWPMN-ZUZCIYMTSA-N 1 1 318.377 1.849 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001335532540 868366323 /nfs/dbraw/zinc/36/63/23/868366323.db2.gz BRCXQDQUYFENLH-LLVKDONJSA-N 1 1 309.370 1.018 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1C(N)=O)C2 ZINC001226165627 882242427 /nfs/dbraw/zinc/24/24/27/882242427.db2.gz MLHFNFXEIRIIJO-IAZYJMLFSA-N 1 1 305.334 1.698 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@@H]3CCC(=O)N3)ccc([N+](=O)[O-])c2C1 ZINC001164170824 868990267 /nfs/dbraw/zinc/99/02/67/868990267.db2.gz IVFUVVBRAHNUFI-JTQLQIEISA-N 1 1 304.350 1.273 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@@H]3CCC(=O)N3)ccc([N+](=O)[O-])c2C1 ZINC001164170824 868990272 /nfs/dbraw/zinc/99/02/72/868990272.db2.gz IVFUVVBRAHNUFI-JTQLQIEISA-N 1 1 304.350 1.273 20 5 DDBDMO COc1cnc(NCC2(N(C)C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001164211995 869019460 /nfs/dbraw/zinc/01/94/60/869019460.db2.gz YKJACHYGJIMKSE-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CC(=O)c1c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085165 869791312 /nfs/dbraw/zinc/79/13/12/869791312.db2.gz VLQABJDAHZELAA-IAQYHMDHSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1c(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085165 869791314 /nfs/dbraw/zinc/79/13/14/869791314.db2.gz VLQABJDAHZELAA-IAQYHMDHSA-N 1 1 320.393 1.844 20 5 DDBDMO Cc1nc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)ccc1[N+](=O)[O-] ZINC001166032671 869808189 /nfs/dbraw/zinc/80/81/89/869808189.db2.gz PXBNHVUGJOZQEE-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO C[NH+](C)C1(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001338475540 870000634 /nfs/dbraw/zinc/00/06/34/870000634.db2.gz SRDLXLVEZSMCDM-HNNXBMFYSA-N 1 1 323.393 1.329 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001205229356 871446777 /nfs/dbraw/zinc/44/67/77/871446777.db2.gz ALRZSBRSLFRRJV-QBEVBOACSA-N 1 1 301.774 1.232 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CCc2occc21 ZINC001341451904 871663337 /nfs/dbraw/zinc/66/33/37/871663337.db2.gz UINGDVPGUUVPSI-CQSZACIVSA-N 1 1 301.302 1.691 20 5 DDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC001350475167 875710588 /nfs/dbraw/zinc/71/05/88/875710588.db2.gz XWJOLRAECMJKFU-NSHDSACASA-N 1 1 316.365 1.765 20 5 DDBDMO COc1cc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001223395736 880944440 /nfs/dbraw/zinc/94/44/40/880944440.db2.gz JKQPXBQCYCSAAD-IUIKQTSFSA-N 1 1 320.345 1.924 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)[C@H]1CC(=O)C2 ZINC001227693218 883136134 /nfs/dbraw/zinc/13/61/34/883136134.db2.gz OZCVOZBHQGJMRE-JVUFJMBOSA-N 1 1 317.305 1.049 20 5 DDBDMO C[N@@H+](CCCNC(=O)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231017557 885140528 /nfs/dbraw/zinc/14/05/28/885140528.db2.gz CYMBGXWIHFGGAU-UHFFFAOYSA-N 1 1 301.293 1.798 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC001234511938 888038401 /nfs/dbraw/zinc/03/84/01/888038401.db2.gz BCKOFADWYQJCCY-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO CC(=O)Nc1ccc(C(C)=O)c(O[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001234680140 888179404 /nfs/dbraw/zinc/17/94/04/888179404.db2.gz BDXHAEVJFFJMIF-LLVKDONJSA-N 1 1 321.333 1.839 20 5 DDBDMO CC(=O)Nc1ccc(C(C)=O)c(O[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001234680140 888179410 /nfs/dbraw/zinc/17/94/10/888179410.db2.gz BDXHAEVJFFJMIF-LLVKDONJSA-N 1 1 321.333 1.839 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234911802 888246884 /nfs/dbraw/zinc/24/68/84/888246884.db2.gz QSDWWKMDKFECKM-LLVKDONJSA-N 1 1 323.353 1.515 20 5 DDBDMO CN1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1=O ZINC001254595041 896522743 /nfs/dbraw/zinc/52/27/43/896522743.db2.gz HZXQIRKJVXYYCC-YUELXQCFSA-N 1 1 301.346 1.082 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001263094413 900492926 /nfs/dbraw/zinc/49/29/26/900492926.db2.gz GFABFLMPVFRACR-OAHLLOKOSA-N 1 1 320.393 1.921 20 5 DDBDMO CC(=O)N1CCC([N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001264755190 901337253 /nfs/dbraw/zinc/33/72/53/901337253.db2.gz KCBZISIQUDLKPM-UHFFFAOYSA-N 1 1 321.377 1.400 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000248915825 282117549 /nfs/dbraw/zinc/11/75/49/282117549.db2.gz JUXRGGWZYHVNBA-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO COc1ccc(NC(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272857290 210250563 /nfs/dbraw/zinc/25/05/63/210250563.db2.gz RKJKLPXXNDKEMQ-UHFFFAOYSA-N 1 1 320.349 1.987 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857352 231076169 /nfs/dbraw/zinc/07/61/69/231076169.db2.gz KZGIXOGBDIVWGV-SLEUVZQESA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000451363041 231077166 /nfs/dbraw/zinc/07/71/66/231077166.db2.gz RODGRUYBMLKLRL-LLVKDONJSA-N 1 1 309.366 1.933 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451437558 231095660 /nfs/dbraw/zinc/09/56/60/231095660.db2.gz LZVZYKAJNJGWHF-ZDUSSCGKSA-N 1 1 302.277 1.676 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOCC23CCCCC3)c1 ZINC000451817930 231203139 /nfs/dbraw/zinc/20/31/39/231203139.db2.gz UQVIXPCJMWZJJD-AWEZNQCLSA-N 1 1 324.381 1.187 20 5 DDBDMO NS(=O)(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000089991343 185275279 /nfs/dbraw/zinc/27/52/79/185275279.db2.gz HCAAJDJQTXUVIS-UHFFFAOYSA-N 1 1 313.379 1.095 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000614895372 362066765 /nfs/dbraw/zinc/06/67/65/362066765.db2.gz QUPKFEHKXDPRKN-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000614895372 362066770 /nfs/dbraw/zinc/06/67/70/362066770.db2.gz QUPKFEHKXDPRKN-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286637332 219097722 /nfs/dbraw/zinc/09/77/22/219097722.db2.gz SWQZTFPDSBMQKO-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286637332 219097725 /nfs/dbraw/zinc/09/77/25/219097725.db2.gz SWQZTFPDSBMQKO-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286637332 219097728 /nfs/dbraw/zinc/09/77/28/219097728.db2.gz SWQZTFPDSBMQKO-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CC1 ZINC000412432012 529883446 /nfs/dbraw/zinc/88/34/46/529883446.db2.gz ZAJYTHCWLLNSDV-UHFFFAOYSA-N 1 1 308.338 1.300 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000108333542 185507227 /nfs/dbraw/zinc/50/72/27/185507227.db2.gz WFIGTMZEWKDZJA-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272635806 210036477 /nfs/dbraw/zinc/03/64/77/210036477.db2.gz NRQJBUXITCRVNH-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000152399921 186068858 /nfs/dbraw/zinc/06/88/58/186068858.db2.gz NWMXYPSHELZNEF-UHFFFAOYSA-N 1 1 307.350 1.431 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000155667307 186101108 /nfs/dbraw/zinc/10/11/08/186101108.db2.gz SMHJSAAFXPYIHT-LLVKDONJSA-N 1 1 322.365 1.403 20 5 DDBDMO CC[N@@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000266846467 186357042 /nfs/dbraw/zinc/35/70/42/186357042.db2.gz ALKVBKWPNYNUIM-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000331725254 234049601 /nfs/dbraw/zinc/04/96/01/234049601.db2.gz MPZRHBFUMSRBSC-MNOVXSKESA-N 1 1 307.354 1.168 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000043754791 352373227 /nfs/dbraw/zinc/37/32/27/352373227.db2.gz HGEKGTVOQDGRMY-BZPMIXESSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000043754791 352373229 /nfs/dbraw/zinc/37/32/29/352373229.db2.gz HGEKGTVOQDGRMY-BZPMIXESSA-N 1 1 310.350 1.444 20 5 DDBDMO CSCC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072665979 191211972 /nfs/dbraw/zinc/21/19/72/191211972.db2.gz OZRLKRWEXGKIDH-PWSUYJOCSA-N 1 1 302.400 1.226 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054375841 352690670 /nfs/dbraw/zinc/69/06/70/352690670.db2.gz PMVQBQCCURMVQR-LBPRGKRZSA-N 1 1 310.354 1.010 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000066050032 352975370 /nfs/dbraw/zinc/97/53/70/352975370.db2.gz WMMUBKBQKYMSTM-CYBMUJFWSA-N 1 1 316.361 1.760 20 5 DDBDMO CC[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068467943 353113323 /nfs/dbraw/zinc/11/33/23/353113323.db2.gz IYVAQUZJTCYVDR-UHFFFAOYSA-N 1 1 316.361 1.714 20 5 DDBDMO C[C@@H]1COCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926348 234285224 /nfs/dbraw/zinc/28/52/24/234285224.db2.gz CUZOQUDSTBRKHI-GXTWGEPZSA-N 1 1 310.350 1.303 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000182091151 199385537 /nfs/dbraw/zinc/38/55/37/199385537.db2.gz NUHDTCQNKPTBHW-ZDUSSCGKSA-N 1 1 321.377 1.664 20 5 DDBDMO CCc1ccc(C(=O)NCC[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000174169629 198300886 /nfs/dbraw/zinc/30/08/86/198300886.db2.gz AQCZARHDLVBREQ-UHFFFAOYSA-N 1 1 309.366 1.465 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174341882 198322355 /nfs/dbraw/zinc/32/23/55/198322355.db2.gz BYZPLROHNFPBLI-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174341882 198322357 /nfs/dbraw/zinc/32/23/57/198322357.db2.gz BYZPLROHNFPBLI-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000174536430 198348824 /nfs/dbraw/zinc/34/88/24/198348824.db2.gz UOVLNXXCOWEEKH-CYBMUJFWSA-N 1 1 321.377 1.774 20 5 DDBDMO Nc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000078527215 353520955 /nfs/dbraw/zinc/52/09/55/353520955.db2.gz QNGSKOKPQVXHCT-NSHDSACASA-N 1 1 306.370 1.643 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000617751300 363287681 /nfs/dbraw/zinc/28/76/81/363287681.db2.gz FHMPGKJKYBEFSW-YWPYICTPSA-N 1 1 321.377 1.534 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000617751300 363287684 /nfs/dbraw/zinc/28/76/84/363287684.db2.gz FHMPGKJKYBEFSW-YWPYICTPSA-N 1 1 321.377 1.534 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142137978 354143127 /nfs/dbraw/zinc/14/31/27/354143127.db2.gz LYCKUTBKOAKPNE-ZDUSSCGKSA-N 1 1 319.361 1.914 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153491865 354199733 /nfs/dbraw/zinc/19/97/33/354199733.db2.gz KBXKJKSZVNDGLI-INIZCTEOSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153491865 354199738 /nfs/dbraw/zinc/19/97/38/354199738.db2.gz KBXKJKSZVNDGLI-INIZCTEOSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000154690585 354208147 /nfs/dbraw/zinc/20/81/47/354208147.db2.gz JUYJFLYYQLDMHT-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000154690585 354208150 /nfs/dbraw/zinc/20/81/50/354208150.db2.gz JUYJFLYYQLDMHT-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO NC(=O)c1ccnc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000357238222 291026797 /nfs/dbraw/zinc/02/67/97/291026797.db2.gz MXCAZRGIYDRPCJ-SECBINFHSA-N 1 1 316.321 1.196 20 5 DDBDMO CC(C)[NH2+]CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315163836 354491127 /nfs/dbraw/zinc/49/11/27/354491127.db2.gz RHTZTYSZEPWBLM-UHFFFAOYSA-N 1 1 319.358 1.400 20 5 DDBDMO C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358668489 299218445 /nfs/dbraw/zinc/21/84/45/299218445.db2.gz XNRIFYZIDPGCGH-XHDPSFHLSA-N 1 1 322.365 1.022 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000587973720 354888187 /nfs/dbraw/zinc/88/81/87/354888187.db2.gz XVYBWTYTNUQCFN-LLVKDONJSA-N 1 1 320.349 1.673 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860630 354943392 /nfs/dbraw/zinc/94/33/92/354943392.db2.gz KIAFLSQLMLJQHT-HIFRSBDPSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1cccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863634 354944174 /nfs/dbraw/zinc/94/41/74/354944174.db2.gz SGMITZDFPYJMLW-CHWSQXEVSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000589514251 354997715 /nfs/dbraw/zinc/99/77/15/354997715.db2.gz OURBPKYJXGIJOT-CYBMUJFWSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000589514251 354997718 /nfs/dbraw/zinc/99/77/18/354997718.db2.gz OURBPKYJXGIJOT-CYBMUJFWSA-N 1 1 308.334 1.584 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000590010676 355040072 /nfs/dbraw/zinc/04/00/72/355040072.db2.gz OSRDJTJXTLYSJK-IAQYHMDHSA-N 1 1 319.361 1.597 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045570 355043624 /nfs/dbraw/zinc/04/36/24/355043624.db2.gz RZCDKFQHFUJLNX-TZMCWYRMSA-N 1 1 319.361 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590344482 355075177 /nfs/dbraw/zinc/07/51/77/355075177.db2.gz TYXRBPVZCXPUKN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000590344482 355075182 /nfs/dbraw/zinc/07/51/82/355075182.db2.gz TYXRBPVZCXPUKN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000590344482 355075185 /nfs/dbraw/zinc/07/51/85/355075185.db2.gz TYXRBPVZCXPUKN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000494946033 235105970 /nfs/dbraw/zinc/10/59/70/235105970.db2.gz HFSZKYQSPVZLLK-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590443457 355097386 /nfs/dbraw/zinc/09/73/86/355097386.db2.gz KKVUJZJVTKDJAD-GXFFZTMASA-N 1 1 304.350 1.413 20 5 DDBDMO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592831322 355707262 /nfs/dbraw/zinc/70/72/62/355707262.db2.gz KSRDFPWAWNACLA-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000593720279 355976491 /nfs/dbraw/zinc/97/64/91/355976491.db2.gz JPMZGUOOVYVVRN-RISCZKNCSA-N 1 1 307.325 1.439 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081362742 192257403 /nfs/dbraw/zinc/25/74/03/192257403.db2.gz NRFIZTDRRQFFAR-CYBMUJFWSA-N 1 1 323.397 1.372 20 5 DDBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679069 356607471 /nfs/dbraw/zinc/60/74/71/356607471.db2.gz UTICLVPURXOESR-OCCSQVGLSA-N 1 1 309.366 1.239 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595745625 356633932 /nfs/dbraw/zinc/63/39/32/356633932.db2.gz YSSWJUZDQKGQDK-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595736343 356628602 /nfs/dbraw/zinc/62/86/02/356628602.db2.gz FAVGTCMYXPGLPT-FZMZJTMJSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@H]1COC2(CCCC2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816416 356662022 /nfs/dbraw/zinc/66/20/22/356662022.db2.gz WZMKQJBKGLOCLA-JSGCOSHPSA-N 1 1 324.381 1.186 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595828452 356667246 /nfs/dbraw/zinc/66/72/46/356667246.db2.gz FASTVKPTQAMWQI-OLZOCXBDSA-N 1 1 305.334 1.162 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595880769 356689401 /nfs/dbraw/zinc/68/94/01/356689401.db2.gz ZBVMGICFWAKHGC-OZVIIMIRSA-N 1 1 321.377 1.872 20 5 DDBDMO CC(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596111070 356776011 /nfs/dbraw/zinc/77/60/11/356776011.db2.gz WLHHWUXRFXAUKG-UHFFFAOYSA-N 1 1 306.366 1.614 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000596229455 356824601 /nfs/dbraw/zinc/82/46/01/356824601.db2.gz BZWXAXIDTACLLW-SNVBAGLBSA-N 1 1 301.306 1.317 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268626 356839102 /nfs/dbraw/zinc/83/91/02/356839102.db2.gz KTTHQRJSXAMVEM-LBPRGKRZSA-N 1 1 320.393 1.875 20 5 DDBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598040095 357438557 /nfs/dbraw/zinc/43/85/57/357438557.db2.gz CHALXWZIIYPPOU-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO CC[N@H+]1CCCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598596708 357646906 /nfs/dbraw/zinc/64/69/06/357646906.db2.gz UBEKIBLEVJCTFM-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000598625015 357660262 /nfs/dbraw/zinc/66/02/62/357660262.db2.gz JSYKRPBJBCTTBB-SECBINFHSA-N 1 1 317.305 1.400 20 5 DDBDMO CCc1nn(C)c(NC2CC([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000599095385 357814258 /nfs/dbraw/zinc/81/42/58/357814258.db2.gz SEVBLDVJYBEQFX-UHFFFAOYSA-N 1 1 309.370 1.166 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000599100709 357815939 /nfs/dbraw/zinc/81/59/39/357815939.db2.gz MHQMDAHCXNIRIB-QWHCGFSZSA-N 1 1 314.345 1.398 20 5 DDBDMO Cc1cnc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599104821 357816775 /nfs/dbraw/zinc/81/67/75/357816775.db2.gz ODBYDRDZTQOHLT-UHFFFAOYSA-N 1 1 306.366 1.599 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000599141814 357827825 /nfs/dbraw/zinc/82/78/25/357827825.db2.gz RLWFQJQDZDEQIY-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176322 357840131 /nfs/dbraw/zinc/84/01/31/357840131.db2.gz QRUNJJXQAZALOU-LLVKDONJSA-N 1 1 323.349 1.168 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599672295 358018088 /nfs/dbraw/zinc/01/80/88/358018088.db2.gz KXPMNOGLFJGYCA-RWMBFGLXSA-N 1 1 321.377 1.933 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599681983 358023025 /nfs/dbraw/zinc/02/30/25/358023025.db2.gz SXTSGHCYWINZCP-CUOATXAZSA-N 1 1 305.334 1.039 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000276627924 213009896 /nfs/dbraw/zinc/00/98/96/213009896.db2.gz VRYGDUKREGRVPS-RYUDHWBXSA-N 1 1 320.349 1.815 20 5 DDBDMO CCn1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149862 358422377 /nfs/dbraw/zinc/42/23/77/358422377.db2.gz QWZWVHDJEFILFH-HNNXBMFYSA-N 1 1 304.350 1.809 20 5 DDBDMO CCOC1CC(O)(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601154142 358424110 /nfs/dbraw/zinc/42/41/10/358424110.db2.gz BVPMSENFECOKBB-UHFFFAOYSA-N 1 1 317.345 1.907 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181139024 199256332 /nfs/dbraw/zinc/25/63/32/199256332.db2.gz WVDVXQVBYOHAPU-GFCCVEGCSA-N 1 1 320.393 1.981 20 5 DDBDMO Cn1cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479860 359006357 /nfs/dbraw/zinc/00/63/57/359006357.db2.gz RGSZSPOIXZSPRB-CYBMUJFWSA-N 1 1 307.398 1.492 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000602793659 359195925 /nfs/dbraw/zinc/19/59/25/359195925.db2.gz CFASUUYFDAMPIL-CQSZACIVSA-N 1 1 308.382 1.848 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000602839814 359228557 /nfs/dbraw/zinc/22/85/57/359228557.db2.gz IVAMJXIHFUMBNX-LSDHHAIUSA-N 1 1 316.361 1.908 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602874575 359257043 /nfs/dbraw/zinc/25/70/43/359257043.db2.gz QNYGLVDDWUXRGY-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000602809675 359206670 /nfs/dbraw/zinc/20/66/70/359206670.db2.gz CDWHCBBZWFMONB-SECBINFHSA-N 1 1 310.276 1.345 20 5 DDBDMO CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000602961629 359324865 /nfs/dbraw/zinc/32/48/65/359324865.db2.gz XZMKUTDSPXHDIS-GFCCVEGCSA-N 1 1 321.381 1.668 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000186947056 200036271 /nfs/dbraw/zinc/03/62/71/200036271.db2.gz IRBPJCRBIVCFJP-VXGBXAGGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000186947056 200036273 /nfs/dbraw/zinc/03/62/73/200036273.db2.gz IRBPJCRBIVCFJP-VXGBXAGGSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000187123647 200064682 /nfs/dbraw/zinc/06/46/82/200064682.db2.gz VWIIABPBVOHXGG-GXSJLCMTSA-N 1 1 308.338 1.250 20 5 DDBDMO CC[C@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187580111 200130534 /nfs/dbraw/zinc/13/05/34/200130534.db2.gz NDYDAEHMQLQPRU-HNNXBMFYSA-N 1 1 309.366 1.241 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604278266 359732272 /nfs/dbraw/zinc/73/22/72/359732272.db2.gz ZLSBSQLOABCARO-SECBINFHSA-N 1 1 317.342 1.106 20 5 DDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604278266 359732274 /nfs/dbraw/zinc/73/22/74/359732274.db2.gz ZLSBSQLOABCARO-SECBINFHSA-N 1 1 317.342 1.106 20 5 DDBDMO CCN(CCC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000188952924 200326835 /nfs/dbraw/zinc/32/68/35/200326835.db2.gz IGDJEWWSXMXGAG-UHFFFAOYSA-N 1 1 319.365 1.885 20 5 DDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000189423034 200398653 /nfs/dbraw/zinc/39/86/53/200398653.db2.gz MFGNPNOTIODJTA-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000189423034 200398655 /nfs/dbraw/zinc/39/86/55/200398655.db2.gz MFGNPNOTIODJTA-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610923230 360572772 /nfs/dbraw/zinc/57/27/72/360572772.db2.gz PSXMJCRRRRNDKH-UHFFFAOYSA-N 1 1 311.386 1.855 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000610808821 360542599 /nfs/dbraw/zinc/54/25/99/360542599.db2.gz OGPLLLVREUTGEV-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO CC[N@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084806 360617679 /nfs/dbraw/zinc/61/76/79/360617679.db2.gz VLSWOQBVNRSCQN-JTQLQIEISA-N 1 1 317.349 1.774 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611084679 360617782 /nfs/dbraw/zinc/61/77/82/360617782.db2.gz JKUMCPRCJLCWIP-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611084679 360617783 /nfs/dbraw/zinc/61/77/83/360617783.db2.gz JKUMCPRCJLCWIP-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000611091738 360619500 /nfs/dbraw/zinc/61/95/00/360619500.db2.gz FMXSVGPNSDCTHW-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086274 360913733 /nfs/dbraw/zinc/91/37/33/360913733.db2.gz LVWZMVSICSKQBS-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252442 363945745 /nfs/dbraw/zinc/94/57/45/363945745.db2.gz LLOSIYFJQIKRRX-LSDHHAIUSA-N 1 1 321.352 1.782 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCCC[C@@H]1C ZINC000350014791 284132285 /nfs/dbraw/zinc/13/22/85/284132285.db2.gz QMUXUGYLPUOYTD-WDEREUQCSA-N 1 1 321.381 1.565 20 5 DDBDMO NC(=O)c1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])on1 ZINC000350393966 284189996 /nfs/dbraw/zinc/18/99/96/284189996.db2.gz QFVIBHYTYWDZOF-HYXAFXHYSA-N 1 1 302.290 1.485 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000264627486 204039647 /nfs/dbraw/zinc/03/96/47/204039647.db2.gz MZOPQNCQWJIOIX-UHFFFAOYSA-N 1 1 320.393 1.304 20 5 DDBDMO COc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266386549 205308121 /nfs/dbraw/zinc/30/81/21/205308121.db2.gz NOEDMUGMIJBHEI-LBPRGKRZSA-N 1 1 308.382 1.651 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000288515048 220191563 /nfs/dbraw/zinc/19/15/63/220191563.db2.gz QYKQTJQMWCNTJE-LLVKDONJSA-N 1 1 306.366 1.652 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000288515048 220191565 /nfs/dbraw/zinc/19/15/65/220191565.db2.gz QYKQTJQMWCNTJE-LLVKDONJSA-N 1 1 306.366 1.652 20 5 DDBDMO CCCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023696731 182366708 /nfs/dbraw/zinc/36/67/08/182366708.db2.gz RQMIVHYXIWMUQF-UHFFFAOYSA-N 1 1 309.322 1.994 20 5 DDBDMO O=[N+]([O-])c1c(NCCC[NH+]2CCOCC2)nc2sccn21 ZINC000029161925 182554839 /nfs/dbraw/zinc/55/48/39/182554839.db2.gz KGPSZMWEBBEBBN-UHFFFAOYSA-N 1 1 311.367 1.438 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000046034704 248197709 /nfs/dbraw/zinc/19/77/09/248197709.db2.gz BXHDMYMYVGAMTQ-UHFFFAOYSA-N 1 1 313.379 1.359 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000351931355 284647837 /nfs/dbraw/zinc/64/78/37/284647837.db2.gz QAQZOTIIYXOUKN-UHFFFAOYSA-N 1 1 315.276 1.632 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000041886291 183223603 /nfs/dbraw/zinc/22/36/03/183223603.db2.gz ASFZPMFNPXFVGB-LBPRGKRZSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000284943746 218244727 /nfs/dbraw/zinc/24/47/27/218244727.db2.gz WRHQSAJDUKYOAT-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000284943746 218244729 /nfs/dbraw/zinc/24/47/29/218244729.db2.gz WRHQSAJDUKYOAT-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285233053 218343632 /nfs/dbraw/zinc/34/36/32/218343632.db2.gz YAILYDZEXMKISQ-PHIMTYICSA-N 1 1 323.397 1.804 20 5 DDBDMO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000109848043 194293071 /nfs/dbraw/zinc/29/30/71/194293071.db2.gz ZKIMBADPOBIUTL-SNVBAGLBSA-N 1 1 321.333 1.063 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110995338 194379330 /nfs/dbraw/zinc/37/93/30/194379330.db2.gz FHJWWIJKSJLKNI-LLVKDONJSA-N 1 1 324.356 1.920 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000061604059 184177620 /nfs/dbraw/zinc/17/76/20/184177620.db2.gz NHPAYWUIWLCENB-UHFFFAOYSA-N 1 1 318.377 1.703 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000341042248 251350044 /nfs/dbraw/zinc/35/00/44/251350044.db2.gz HEUQOASJMYLDNJ-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000301221084 285122812 /nfs/dbraw/zinc/12/28/12/285122812.db2.gz BGDHJUXOTJCFEX-AWEZNQCLSA-N 1 1 306.366 1.681 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000352541499 285127842 /nfs/dbraw/zinc/12/78/42/285127842.db2.gz YNGFMXZCKXMYHB-NSHDSACASA-N 1 1 307.350 1.691 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659458 285204284 /nfs/dbraw/zinc/20/42/84/285204284.db2.gz JQPMKXHCGYSHGD-HONMWMINSA-N 1 1 307.350 1.767 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352662260 285206280 /nfs/dbraw/zinc/20/62/80/285206280.db2.gz XZCYHPJLRHQGIV-GXTWGEPZSA-N 1 1 323.349 1.387 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120633452 195205898 /nfs/dbraw/zinc/20/58/98/195205898.db2.gz YJRHJSDDHGTPRD-AWEZNQCLSA-N 1 1 306.366 1.531 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879652 196832013 /nfs/dbraw/zinc/83/20/13/196832013.db2.gz PTXFMOQIANTXKX-NFAWXSAZSA-N 1 1 324.377 1.570 20 5 DDBDMO COc1cc(C[N@H+](C)CCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000352780485 285296378 /nfs/dbraw/zinc/29/63/78/285296378.db2.gz UTXDABJFBDAHIK-UHFFFAOYSA-N 1 1 309.366 1.807 20 5 DDBDMO COc1cc(C[N@@H+](C)CCNC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000352780485 285296381 /nfs/dbraw/zinc/29/63/81/285296381.db2.gz UTXDABJFBDAHIK-UHFFFAOYSA-N 1 1 309.366 1.807 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)C[C@H]1C ZINC000452112974 533219069 /nfs/dbraw/zinc/21/90/69/533219069.db2.gz HSMUYODBAGPXBE-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783081 221222472 /nfs/dbraw/zinc/22/24/72/221222472.db2.gz LVOHORSOVGMZFO-KOLCDFICSA-N 1 1 304.297 1.129 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000078619477 407036734 /nfs/dbraw/zinc/03/67/34/407036734.db2.gz JKNVVLGEYFNCJM-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000078619477 407036736 /nfs/dbraw/zinc/03/67/36/407036736.db2.gz JKNVVLGEYFNCJM-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000054987099 407192718 /nfs/dbraw/zinc/19/27/18/407192718.db2.gz DEZNJIPCHABDEP-OAHLLOKOSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000054987099 407192720 /nfs/dbraw/zinc/19/27/20/407192720.db2.gz DEZNJIPCHABDEP-OAHLLOKOSA-N 1 1 319.361 1.717 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000103284354 407336124 /nfs/dbraw/zinc/33/61/24/407336124.db2.gz CYMNYYJODXLQQZ-ZYHUDNBSSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124762661 407368463 /nfs/dbraw/zinc/36/84/63/407368463.db2.gz NBZYONFCINZDKK-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124762661 407368464 /nfs/dbraw/zinc/36/84/64/407368464.db2.gz NBZYONFCINZDKK-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114063111 407535054 /nfs/dbraw/zinc/53/50/54/407535054.db2.gz RIUHJVSKSCFNIJ-LLVKDONJSA-N 1 1 323.349 1.664 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115439653 407680047 /nfs/dbraw/zinc/68/00/47/407680047.db2.gz SATXPXGZKKXFRT-CYBMUJFWSA-N 1 1 320.393 1.807 20 5 DDBDMO COCCCOCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000271543558 407721209 /nfs/dbraw/zinc/72/12/09/407721209.db2.gz KHMMFOYDNPLJOC-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO CCC[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000152621677 407662805 /nfs/dbraw/zinc/66/28/05/407662805.db2.gz JGIGVUSUADGCCS-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000152621677 407662811 /nfs/dbraw/zinc/66/28/11/407662811.db2.gz JGIGVUSUADGCCS-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000171665881 407736517 /nfs/dbraw/zinc/73/65/17/407736517.db2.gz IWGMZDQSEQZIGT-NSHDSACASA-N 1 1 323.397 1.731 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000153191854 407773613 /nfs/dbraw/zinc/77/36/13/407773613.db2.gz WWPGNGLGERCYGL-GXFFZTMASA-N 1 1 307.350 1.429 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCCC1=O ZINC000171883064 407789513 /nfs/dbraw/zinc/78/95/13/407789513.db2.gz DBACEMRDVFSKKP-CYBMUJFWSA-N 1 1 307.350 1.010 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCCC1=O ZINC000171883064 407789505 /nfs/dbraw/zinc/78/95/05/407789505.db2.gz DBACEMRDVFSKKP-CYBMUJFWSA-N 1 1 307.350 1.010 20 5 DDBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000134054791 407885321 /nfs/dbraw/zinc/88/53/21/407885321.db2.gz RTOORFLEXWVDHX-SMDDNHRTSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000134054791 407885325 /nfs/dbraw/zinc/88/53/25/407885325.db2.gz RTOORFLEXWVDHX-SMDDNHRTSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546651 407975029 /nfs/dbraw/zinc/97/50/29/407975029.db2.gz KEYPDMKEBPEMJK-RYUDHWBXSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546651 407975032 /nfs/dbraw/zinc/97/50/32/407975032.db2.gz KEYPDMKEBPEMJK-RYUDHWBXSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158908 407920246 /nfs/dbraw/zinc/92/02/46/407920246.db2.gz HNJFNEJZLORCAO-QPUJVOFHSA-N 1 1 322.340 1.529 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272441352 407922628 /nfs/dbraw/zinc/92/26/28/407922628.db2.gz INGPOMKBVCEFHH-WFASDCNBSA-N 1 1 303.362 1.690 20 5 DDBDMO C[N@@H+](CC(=O)NCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000154541287 408048457 /nfs/dbraw/zinc/04/84/57/408048457.db2.gz RNXGTYRKXNAAPA-LBPRGKRZSA-N 1 1 309.391 1.648 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000245460791 407991181 /nfs/dbraw/zinc/99/11/81/407991181.db2.gz WALCYYJUIWRPAJ-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246250968 408191885 /nfs/dbraw/zinc/19/18/85/408191885.db2.gz SXDVPVAYEIDZFY-WDEREUQCSA-N 1 1 322.365 1.236 20 5 DDBDMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269273243 408247025 /nfs/dbraw/zinc/24/70/25/408247025.db2.gz HHXBOTUAVMFXAD-LLVKDONJSA-N 1 1 307.350 1.714 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269273243 408247028 /nfs/dbraw/zinc/24/70/28/408247028.db2.gz HHXBOTUAVMFXAD-LLVKDONJSA-N 1 1 307.350 1.714 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cn1 ZINC000273572082 408250852 /nfs/dbraw/zinc/25/08/52/408250852.db2.gz AIBJUBOEUAWHOF-UHFFFAOYSA-N 1 1 309.370 1.179 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246306164 408213298 /nfs/dbraw/zinc/21/32/98/408213298.db2.gz FRXWNAIAJNWQQY-WDEREUQCSA-N 1 1 323.349 1.663 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247311831 408448707 /nfs/dbraw/zinc/44/87/07/408448707.db2.gz HMGIBVXCJZTOJJ-SWLSCSKDSA-N 1 1 321.377 1.772 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247051104 408396629 /nfs/dbraw/zinc/39/66/29/408396629.db2.gz SOLKBCFSRANGBQ-GHMZBOCLSA-N 1 1 323.349 1.663 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000264472599 408504000 /nfs/dbraw/zinc/50/40/00/408504000.db2.gz GPGXIZHKFAEZRL-LLVKDONJSA-N 1 1 311.313 1.184 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000265361147 408625654 /nfs/dbraw/zinc/62/56/54/408625654.db2.gz XMRHHQKHEKQMGX-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249512744 408734935 /nfs/dbraw/zinc/73/49/35/408734935.db2.gz OQOOYPUHRYIPNQ-KBPBESRZSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249083761 408684649 /nfs/dbraw/zinc/68/46/49/408684649.db2.gz HZYXTACCUJKJDT-ZJUUUORDSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249083761 408684654 /nfs/dbraw/zinc/68/46/54/408684654.db2.gz HZYXTACCUJKJDT-ZJUUUORDSA-N 1 1 313.379 1.183 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000193143886 408700760 /nfs/dbraw/zinc/70/07/60/408700760.db2.gz QMYDYYIBZOVPST-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249598809 408748835 /nfs/dbraw/zinc/74/88/35/408748835.db2.gz XQEUANFUPUBRKP-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000290783053 408832368 /nfs/dbraw/zinc/83/23/68/408832368.db2.gz NFMVQQZZZXPUAD-AWEZNQCLSA-N 1 1 317.349 1.308 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291749679 408916929 /nfs/dbraw/zinc/91/69/29/408916929.db2.gz KLEZNGPASRVKMM-YPMHNXCESA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291749679 408916932 /nfs/dbraw/zinc/91/69/32/408916932.db2.gz KLEZNGPASRVKMM-YPMHNXCESA-N 1 1 316.304 1.578 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286103533 408924117 /nfs/dbraw/zinc/92/41/17/408924117.db2.gz IMKWPJREWIEHLL-IAQYHMDHSA-N 1 1 307.350 1.276 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000286253080 408949600 /nfs/dbraw/zinc/94/96/00/408949600.db2.gz IVIYAXOHVIJSHQ-ZYHUDNBSSA-N 1 1 320.349 1.815 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292345722 409026713 /nfs/dbraw/zinc/02/67/13/409026713.db2.gz QJGFJSZJQQEMQF-OAHLLOKOSA-N 1 1 304.350 1.226 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000282844192 409066284 /nfs/dbraw/zinc/06/62/84/409066284.db2.gz UBHWOFOJQCHJKZ-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)CC2)c2c(c1)COCO2 ZINC000293299462 409084674 /nfs/dbraw/zinc/08/46/74/409084674.db2.gz WJYKNVDDDKLOFS-CQSZACIVSA-N 1 1 308.334 1.808 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)CC2)c2c(c1)COCO2 ZINC000293299462 409084676 /nfs/dbraw/zinc/08/46/76/409084676.db2.gz WJYKNVDDDKLOFS-CQSZACIVSA-N 1 1 308.334 1.808 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000278936452 409116945 /nfs/dbraw/zinc/11/69/45/409116945.db2.gz UCIHUUGKAPODCF-OAHLLOKOSA-N 1 1 305.334 1.315 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000293654770 409154460 /nfs/dbraw/zinc/15/44/60/409154460.db2.gz HGFICTNQUPDVLU-HNNXBMFYSA-N 1 1 322.340 1.484 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422420 409309781 /nfs/dbraw/zinc/30/97/81/409309781.db2.gz LYDYQVQSSKOKNT-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422420 409309783 /nfs/dbraw/zinc/30/97/83/409309783.db2.gz LYDYQVQSSKOKNT-CZUORRHYSA-N 1 1 322.361 1.853 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000280204454 409269219 /nfs/dbraw/zinc/26/92/19/409269219.db2.gz KDQPZRSWSYTQLI-UHFFFAOYSA-N 1 1 305.334 1.352 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+](C2CC2)C1 ZINC000295288996 409413280 /nfs/dbraw/zinc/41/32/80/409413280.db2.gz IJICRUBTZSLBKM-JTQLQIEISA-N 1 1 320.349 1.252 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280750021 409436344 /nfs/dbraw/zinc/43/63/44/409436344.db2.gz NFEPVVZUZCMBAC-ZUZCIYMTSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000296173976 409452938 /nfs/dbraw/zinc/45/29/38/409452938.db2.gz GCZLGSXAQKMBMO-TXEJJXNPSA-N 1 1 306.366 1.829 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317075299 164025346 /nfs/dbraw/zinc/02/53/46/164025346.db2.gz ZCOPUBFPRKJFTO-GHMZBOCLSA-N 1 1 304.350 1.534 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000357033734 164136924 /nfs/dbraw/zinc/13/69/24/164136924.db2.gz IAPOWWFQHOFVHW-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000356903497 409704545 /nfs/dbraw/zinc/70/45/45/409704545.db2.gz PRLJFEMSRQTCBL-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO COC(=O)Cc1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000296890122 409687896 /nfs/dbraw/zinc/68/78/96/409687896.db2.gz XYBCZWRCQQFDOI-BETUJISGSA-N 1 1 319.361 1.308 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349245484 409763709 /nfs/dbraw/zinc/76/37/09/409763709.db2.gz RLKKTMFBUXWDFM-PWSUYJOCSA-N 1 1 307.306 1.673 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000338785909 410038176 /nfs/dbraw/zinc/03/81/76/410038176.db2.gz BVKBJFLJVQFFMA-GHMZBOCLSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOc1cc(OC[C@@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000357452064 410049303 /nfs/dbraw/zinc/04/93/03/410049303.db2.gz KVLSWSWFCBFFIU-LBPRGKRZSA-N 1 1 310.350 1.827 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986100 410052463 /nfs/dbraw/zinc/05/24/63/410052463.db2.gz AMDUWSZGLVGNDO-LDYMZIIASA-N 1 1 303.322 1.607 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110956 410156030 /nfs/dbraw/zinc/15/60/30/410156030.db2.gz YVGJCOIKKMOVCK-IAQYHMDHSA-N 1 1 319.361 1.382 20 5 DDBDMO C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351774894 410224016 /nfs/dbraw/zinc/22/40/16/410224016.db2.gz PGFPHEDEWSVUPT-GXFFZTMASA-N 1 1 321.333 1.205 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000339721818 410417200 /nfs/dbraw/zinc/41/72/00/410417200.db2.gz YPFODDBSGORYJY-IHRRRGAJSA-N 1 1 308.382 1.663 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000339721817 410418015 /nfs/dbraw/zinc/41/80/15/410418015.db2.gz YPFODDBSGORYJY-BFHYXJOUSA-N 1 1 308.382 1.663 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000298716978 410363496 /nfs/dbraw/zinc/36/34/96/410363496.db2.gz JMNZZTCZMJYHQK-SNVBAGLBSA-N 1 1 322.317 1.456 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000298716978 410363503 /nfs/dbraw/zinc/36/35/03/410363503.db2.gz JMNZZTCZMJYHQK-SNVBAGLBSA-N 1 1 322.317 1.456 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343459816 410470555 /nfs/dbraw/zinc/47/05/55/410470555.db2.gz SHYHHJKYZNGYOU-BXUZGUMPSA-N 1 1 307.350 1.573 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339748652 410433911 /nfs/dbraw/zinc/43/39/11/410433911.db2.gz OXUYPDYUPFHPRQ-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000339748652 410433916 /nfs/dbraw/zinc/43/39/16/410433916.db2.gz OXUYPDYUPFHPRQ-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](C)O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343511139 410501186 /nfs/dbraw/zinc/50/11/86/410501186.db2.gz NCZAJAZJKPNJRE-CHWSQXEVSA-N 1 1 312.366 1.426 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299213211 410571057 /nfs/dbraw/zinc/57/10/57/410571057.db2.gz FCXIBGVBDHIYRP-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355602900 410603281 /nfs/dbraw/zinc/60/32/81/410603281.db2.gz WHZWUSXATYUURM-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO CCOc1cc(C(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])cc1OC ZINC000337289109 410695844 /nfs/dbraw/zinc/69/58/44/410695844.db2.gz BONVNJMEUSLWJX-UHFFFAOYSA-N 1 1 323.349 1.438 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+](C)CCCO)CC1 ZINC000301303054 410696595 /nfs/dbraw/zinc/69/65/95/410696595.db2.gz SETIRRABAOPBOA-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO Cc1nccn1CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782988 410718857 /nfs/dbraw/zinc/71/88/57/410718857.db2.gz JLFKTTJSRYPYLD-UHFFFAOYSA-N 1 1 301.350 1.943 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000347793190 410721734 /nfs/dbraw/zinc/72/17/34/410721734.db2.gz LSSMQLLTSYIYON-UHFFFAOYSA-N 1 1 320.349 1.120 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000301692306 410773629 /nfs/dbraw/zinc/77/36/29/410773629.db2.gz ZDGNQSLMJRHHPY-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000330582472 410796650 /nfs/dbraw/zinc/79/66/50/410796650.db2.gz USLWVPTWZJDQOT-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330586593 410801748 /nfs/dbraw/zinc/80/17/48/410801748.db2.gz LTWHXYXSZQRZMB-RYUDHWBXSA-N 1 1 306.366 1.558 20 5 DDBDMO Cc1cc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC000301591955 410750352 /nfs/dbraw/zinc/75/03/52/410750352.db2.gz YMBUURHMBHKJCR-ZIAGYGMSSA-N 1 1 320.393 1.724 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348174278 410836794 /nfs/dbraw/zinc/83/67/94/410836794.db2.gz KIPJQQZEKGPNMA-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000330894257 410905666 /nfs/dbraw/zinc/90/56/66/410905666.db2.gz JYGXMPNATUHKGV-ZDUSSCGKSA-N 1 1 300.742 1.831 20 5 DDBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000330894257 410905673 /nfs/dbraw/zinc/90/56/73/410905673.db2.gz JYGXMPNATUHKGV-ZDUSSCGKSA-N 1 1 300.742 1.831 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000353711000 411116942 /nfs/dbraw/zinc/11/69/42/411116942.db2.gz LWTWHXFLVUQLAV-NSHDSACASA-N 1 1 307.354 1.122 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129300079 196037760 /nfs/dbraw/zinc/03/77/60/196037760.db2.gz RCDQJVGLZQWCKR-HNNXBMFYSA-N 1 1 305.378 1.749 20 5 DDBDMO CN(C)C[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317129 225292364 /nfs/dbraw/zinc/29/23/64/225292364.db2.gz VRMGPQYHQCLVCJ-ZBFHGGJFSA-N 1 1 307.394 1.874 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296675260 226112111 /nfs/dbraw/zinc/11/21/11/226112111.db2.gz KYTPRWQRCUOPHI-AWEZNQCLSA-N 1 1 307.350 1.910 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027801 418568804 /nfs/dbraw/zinc/56/88/04/418568804.db2.gz ZUFJEMGAWFFTDD-PSASIEDQSA-N 1 1 303.322 1.892 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000361006287 418564385 /nfs/dbraw/zinc/56/43/85/418564385.db2.gz CHBKAXGVKDLERS-WDEREUQCSA-N 1 1 311.386 1.011 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191814540 222109711 /nfs/dbraw/zinc/10/97/11/222109711.db2.gz TXVVSNCAUGSNFM-GFCCVEGCSA-N 1 1 323.397 1.806 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375035558 418591794 /nfs/dbraw/zinc/59/17/94/418591794.db2.gz CTNFLEBQLKZOOS-XHDPSFHLSA-N 1 1 318.377 1.485 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000375509505 418651487 /nfs/dbraw/zinc/65/14/87/418651487.db2.gz WCAYVFXLMZRSIY-SNVBAGLBSA-N 1 1 321.337 1.024 20 5 DDBDMO C[C@H]1[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@H+]1C ZINC000343497484 418631698 /nfs/dbraw/zinc/63/16/98/418631698.db2.gz DPTXECOQXSRXBH-GXFFZTMASA-N 1 1 317.349 2.539 20 5 DDBDMO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399825 418635235 /nfs/dbraw/zinc/63/52/35/418635235.db2.gz AXNSRNNSIYELME-OLZOCXBDSA-N 1 1 323.397 1.733 20 5 DDBDMO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399825 418635236 /nfs/dbraw/zinc/63/52/36/418635236.db2.gz AXNSRNNSIYELME-OLZOCXBDSA-N 1 1 323.397 1.733 20 5 DDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCCN3CCOCC3)C2)c1 ZINC000375404207 418636425 /nfs/dbraw/zinc/63/64/25/418636425.db2.gz NPRMPOYEFKFXGN-CQSZACIVSA-N 1 1 323.397 1.151 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367988738 418670246 /nfs/dbraw/zinc/67/02/46/418670246.db2.gz MPJPSEHGSDMWMW-NSHDSACASA-N 1 1 320.349 1.121 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 ZINC000375768253 418683801 /nfs/dbraw/zinc/68/38/01/418683801.db2.gz MPZPNDQVTCGXRC-GXTWGEPZSA-N 1 1 310.375 1.256 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 ZINC000375768253 418683802 /nfs/dbraw/zinc/68/38/02/418683802.db2.gz MPZPNDQVTCGXRC-GXTWGEPZSA-N 1 1 310.375 1.256 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361630098 418693157 /nfs/dbraw/zinc/69/31/57/418693157.db2.gz SILWVMMRZGCPMN-VXGBXAGGSA-N 1 1 319.361 1.960 20 5 DDBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000370910394 418748670 /nfs/dbraw/zinc/74/86/70/418748670.db2.gz GRAODFNISYEDSE-UHFFFAOYSA-N 1 1 307.350 1.695 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371338592 418779834 /nfs/dbraw/zinc/77/98/34/418779834.db2.gz FKNXCAUQTBRILU-CYBMUJFWSA-N 1 1 324.344 2.236 20 5 DDBDMO Cc1nn(C)c(NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000364611590 418793411 /nfs/dbraw/zinc/79/34/11/418793411.db2.gz ZFRQHIWGJFUNJE-UHFFFAOYSA-N 1 1 319.369 1.451 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000371372158 418785299 /nfs/dbraw/zinc/78/52/99/418785299.db2.gz VTLXCJRIQNWDBQ-AWEZNQCLSA-N 1 1 315.333 1.094 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000371372158 418785302 /nfs/dbraw/zinc/78/53/02/418785302.db2.gz VTLXCJRIQNWDBQ-AWEZNQCLSA-N 1 1 315.333 1.094 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000364923908 418822858 /nfs/dbraw/zinc/82/28/58/418822858.db2.gz RYSYZPYTUULFJE-NFBGWVBBSA-N 1 1 319.405 1.997 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420975175 419396938 /nfs/dbraw/zinc/39/69/38/419396938.db2.gz NUVULYASXZUUSE-LLVKDONJSA-N 1 1 323.349 1.050 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656130 419373527 /nfs/dbraw/zinc/37/35/27/419373527.db2.gz PJPSQIHSGCPQHB-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954653 419383924 /nfs/dbraw/zinc/38/39/24/419383924.db2.gz ZPLPEHVUYXORML-GHMZBOCLSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954653 419383932 /nfs/dbraw/zinc/38/39/32/419383932.db2.gz ZPLPEHVUYXORML-GHMZBOCLSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412042796 419580016 /nfs/dbraw/zinc/58/00/16/419580016.db2.gz UMKDNEFYWOJEQQ-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412042796 419580021 /nfs/dbraw/zinc/58/00/21/419580021.db2.gz UMKDNEFYWOJEQQ-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)n1 ZINC000427844431 419752587 /nfs/dbraw/zinc/75/25/87/419752587.db2.gz CUKBEFAKMNOQFE-NEPJUHHUSA-N 1 1 323.397 1.756 20 5 DDBDMO CC1(C)C[C@H](NC[C@@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580177 420087356 /nfs/dbraw/zinc/08/73/56/420087356.db2.gz XHTIRRHKOZJKPL-WFASDCNBSA-N 1 1 305.378 1.895 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000420425890 420278952 /nfs/dbraw/zinc/27/89/52/420278952.db2.gz VEDFTIKACUGBCS-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424014711 420306880 /nfs/dbraw/zinc/30/68/80/420306880.db2.gz LUQRKTKIYNTXLS-ZJUUUORDSA-N 1 1 317.349 1.528 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000420606980 420328815 /nfs/dbraw/zinc/32/88/15/420328815.db2.gz ZBXYWDQTLAGUIX-DGCLKSJQSA-N 1 1 318.377 1.614 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000425298009 420343765 /nfs/dbraw/zinc/34/37/65/420343765.db2.gz CKXDSIPCEBXGAD-UHFFFAOYSA-N 1 1 318.337 1.146 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425504905 420403552 /nfs/dbraw/zinc/40/35/52/420403552.db2.gz XOBLWHNGIPACMW-AWEZNQCLSA-N 1 1 317.349 1.902 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115292 420619846 /nfs/dbraw/zinc/61/98/46/420619846.db2.gz KWSBUMIMKVJRGB-SNVBAGLBSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115292 420619848 /nfs/dbraw/zinc/61/98/48/420619848.db2.gz KWSBUMIMKVJRGB-SNVBAGLBSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457115292 420619850 /nfs/dbraw/zinc/61/98/50/420619850.db2.gz KWSBUMIMKVJRGB-SNVBAGLBSA-N 1 1 309.370 1.435 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000452067392 420620547 /nfs/dbraw/zinc/62/05/47/420620547.db2.gz MHNDMTOVROIHGC-DRZSPHRISA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000452067392 420620549 /nfs/dbraw/zinc/62/05/49/420620549.db2.gz MHNDMTOVROIHGC-DRZSPHRISA-N 1 1 321.377 1.933 20 5 DDBDMO COc1ccc(CN[C@@H](C)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951211 533684437 /nfs/dbraw/zinc/68/44/37/533684437.db2.gz ZWAARSCEDWYBJX-WCQYABFASA-N 1 1 309.366 1.460 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454269364 420827903 /nfs/dbraw/zinc/82/79/03/420827903.db2.gz FNSCDMOKEDHGAP-CQSZACIVSA-N 1 1 322.365 1.563 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000449384160 421002391 /nfs/dbraw/zinc/00/23/91/421002391.db2.gz AGVMMESPKGQIKS-AWEZNQCLSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)c(F)c1 ZINC000449384160 421002393 /nfs/dbraw/zinc/00/23/93/421002393.db2.gz AGVMMESPKGQIKS-AWEZNQCLSA-N 1 1 311.357 1.670 20 5 DDBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000449520278 421019961 /nfs/dbraw/zinc/01/99/61/421019961.db2.gz RSVXHTGLAMSOCO-SMDDNHRTSA-N 1 1 321.377 1.748 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879219 421072868 /nfs/dbraw/zinc/07/28/68/421072868.db2.gz CBBPRZDXJQOUEJ-VHSXEESVSA-N 1 1 319.365 1.387 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489375320 421151294 /nfs/dbraw/zinc/15/12/94/421151294.db2.gz OUUNVGKJNPIQFX-ZDUSSCGKSA-N 1 1 323.397 1.288 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH+]1CCOCC1 ZINC000450397526 421192762 /nfs/dbraw/zinc/19/27/62/421192762.db2.gz VWFKRBWZRARDEF-TZMCWYRMSA-N 1 1 306.366 1.537 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522901425 421227189 /nfs/dbraw/zinc/22/71/89/421227189.db2.gz YPTZQMBOIQYONW-NSHDSACASA-N 1 1 309.370 1.097 20 5 DDBDMO CC(=O)N1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000563415735 421506312 /nfs/dbraw/zinc/50/63/12/421506312.db2.gz FQTKNEMSHVZCDU-UHFFFAOYSA-N 1 1 315.276 1.517 20 5 DDBDMO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010343 421588222 /nfs/dbraw/zinc/58/82/22/421588222.db2.gz JOZYWROWBHFUFA-GXTWGEPZSA-N 1 1 317.345 1.532 20 5 DDBDMO CN1C(=O)C[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010343 421588226 /nfs/dbraw/zinc/58/82/26/421588226.db2.gz JOZYWROWBHFUFA-GXTWGEPZSA-N 1 1 317.345 1.532 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000531415998 421634132 /nfs/dbraw/zinc/63/41/32/421634132.db2.gz XJVSRCIAIBADKY-UHFFFAOYSA-N 1 1 312.370 1.080 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000559637073 421836993 /nfs/dbraw/zinc/83/69/93/421836993.db2.gz HRRYKFUKXAEJBR-MRXNPFEDSA-N 1 1 322.409 1.029 20 5 DDBDMO Nc1n[nH]c(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595488145 422356305 /nfs/dbraw/zinc/35/63/05/422356305.db2.gz DUIFNEDLUYOPIY-UHFFFAOYSA-N 1 1 320.328 1.814 20 5 DDBDMO Nc1nc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596477882 422378598 /nfs/dbraw/zinc/37/85/98/422378598.db2.gz LHRHJCLTCLUAOX-SNVBAGLBSA-N 1 1 306.370 1.786 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590584696 422321061 /nfs/dbraw/zinc/32/10/61/422321061.db2.gz ACIYOHRFQBJYKB-TXEJJXNPSA-N 1 1 323.397 1.873 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000345825497 272345179 /nfs/dbraw/zinc/34/51/79/272345179.db2.gz SCBZQTMIKKXGCV-AWEZNQCLSA-N 1 1 321.377 1.667 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000345825497 272345181 /nfs/dbraw/zinc/34/51/81/272345181.db2.gz SCBZQTMIKKXGCV-AWEZNQCLSA-N 1 1 321.377 1.667 20 5 DDBDMO COc1cc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])cc1F ZINC000125342374 274096257 /nfs/dbraw/zinc/09/62/57/274096257.db2.gz AVFXJNABOLOZRN-UHFFFAOYSA-N 1 1 313.329 1.247 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CN1CCCCC1 ZINC000449095513 274231202 /nfs/dbraw/zinc/23/12/02/274231202.db2.gz ZBGKHKQLOLBYHY-HOCLYGCPSA-N 1 1 321.421 1.962 20 5 DDBDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000060510976 276178933 /nfs/dbraw/zinc/17/89/33/276178933.db2.gz RVOSCMSUFBJPTH-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000060510976 276178934 /nfs/dbraw/zinc/17/89/34/276178934.db2.gz RVOSCMSUFBJPTH-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192004 277110691 /nfs/dbraw/zinc/11/06/91/277110691.db2.gz WVPGHUACUMNUMJ-WZRBSPASSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192004 277110692 /nfs/dbraw/zinc/11/06/92/277110692.db2.gz WVPGHUACUMNUMJ-WZRBSPASSA-N 1 1 308.338 1.065 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000286001998 277152541 /nfs/dbraw/zinc/15/25/41/277152541.db2.gz ZAJJBUZCMFAFCU-KGLIPLIRSA-N 1 1 305.334 1.140 20 5 DDBDMO COC(=O)C1(O)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272427239 277310277 /nfs/dbraw/zinc/31/02/77/277310277.db2.gz HFQIADABIDBYKZ-LBPRGKRZSA-N 1 1 322.361 1.964 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000119537128 281101678 /nfs/dbraw/zinc/10/16/78/281101678.db2.gz DUMQAJWTSHUZTD-HNNXBMFYSA-N 1 1 319.361 1.200 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000119537128 281101679 /nfs/dbraw/zinc/10/16/79/281101679.db2.gz DUMQAJWTSHUZTD-HNNXBMFYSA-N 1 1 319.361 1.200 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000248683298 290239993 /nfs/dbraw/zinc/23/99/93/290239993.db2.gz XTDHZEGWSRCGDX-STQMWFEESA-N 1 1 318.377 1.614 20 5 DDBDMO [NH3+]CC(F)(F)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423333335 295220251 /nfs/dbraw/zinc/22/02/51/295220251.db2.gz FDVAOWYQRGWDCH-UWVGGRQHSA-N 1 1 303.313 1.459 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193321 300025983 /nfs/dbraw/zinc/02/59/83/300025983.db2.gz YOVXSKKYDKNBIL-DRCTWCGVSA-N 1 1 310.325 1.945 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363052877 300204650 /nfs/dbraw/zinc/20/46/50/300204650.db2.gz BFFUIIZGLKHCMK-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363052877 300204653 /nfs/dbraw/zinc/20/46/53/300204653.db2.gz BFFUIIZGLKHCMK-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363052877 300204656 /nfs/dbraw/zinc/20/46/56/300204656.db2.gz BFFUIIZGLKHCMK-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000363099273 300210798 /nfs/dbraw/zinc/21/07/98/300210798.db2.gz FQVFTMVTMDHMAQ-OLZOCXBDSA-N 1 1 318.377 1.993 20 5 DDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000369868897 301231924 /nfs/dbraw/zinc/23/19/24/301231924.db2.gz VTDUJVHWLSUALY-AWEZNQCLSA-N 1 1 310.354 1.061 20 5 DDBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370025038 301260325 /nfs/dbraw/zinc/26/03/25/301260325.db2.gz CFGITGFRIBQGQC-CYBMUJFWSA-N 1 1 321.381 1.268 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2Cn2cccn2)n1 ZINC000370027046 301261431 /nfs/dbraw/zinc/26/14/31/301261431.db2.gz NMCWFPGRRKLTIT-CYBMUJFWSA-N 1 1 304.354 1.543 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263411 301304488 /nfs/dbraw/zinc/30/44/88/301304488.db2.gz XOXPIIFZKQIUQI-CMPLNLGQSA-N 1 1 320.349 1.170 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465580 301344799 /nfs/dbraw/zinc/34/47/99/301344799.db2.gz TWVADDFRNRVSHC-NWDGAFQWSA-N 1 1 323.324 1.327 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H](O)C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364444974 307045863 /nfs/dbraw/zinc/04/58/63/307045863.db2.gz RFHMFASCNZFKKW-ZDUSSCGKSA-N 1 1 305.334 1.380 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000364905435 307053469 /nfs/dbraw/zinc/05/34/69/307053469.db2.gz LVXJPPHNFUMHJX-SNVBAGLBSA-N 1 1 319.365 1.319 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371555458 307153328 /nfs/dbraw/zinc/15/33/28/307153328.db2.gz UJOFSJKOXGIUOC-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376875149 307257533 /nfs/dbraw/zinc/25/75/33/307257533.db2.gz ILLOSPNNURBPIE-GHMZBOCLSA-N 1 1 305.338 1.160 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC000378507649 307290636 /nfs/dbraw/zinc/29/06/36/307290636.db2.gz WPDYHAQXBHKEEU-QWRGUYRKSA-N 1 1 302.338 1.168 20 5 DDBDMO COc1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000515666060 307408617 /nfs/dbraw/zinc/40/86/17/307408617.db2.gz DGTQKKAVHXGALB-UHFFFAOYSA-N 1 1 317.349 1.649 20 5 DDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000576088864 308287816 /nfs/dbraw/zinc/28/78/16/308287816.db2.gz LTTWPFKJJDZCOQ-SNVBAGLBSA-N 1 1 312.345 1.410 20 5 DDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000576088864 308287818 /nfs/dbraw/zinc/28/78/18/308287818.db2.gz LTTWPFKJJDZCOQ-SNVBAGLBSA-N 1 1 312.345 1.410 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590767509 483927892 /nfs/dbraw/zinc/92/78/92/483927892.db2.gz ILGYEBQLIKQDOU-RNCFNFMXSA-N 1 1 323.324 1.519 20 5 DDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000374894932 483943704 /nfs/dbraw/zinc/94/37/04/483943704.db2.gz OEBYETRWWZLCHN-SYQHCUMBSA-N 1 1 307.325 1.053 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728634 484215303 /nfs/dbraw/zinc/21/53/03/484215303.db2.gz FLAAXYDCEIKKJP-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457141486 534332030 /nfs/dbraw/zinc/33/20/30/534332030.db2.gz YGXLTHXMAKQIKL-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457141486 534332037 /nfs/dbraw/zinc/33/20/37/534332037.db2.gz YGXLTHXMAKQIKL-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452345523 534606014 /nfs/dbraw/zinc/60/60/14/534606014.db2.gz FFOFPWADSJTUSW-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330871264 527835812 /nfs/dbraw/zinc/83/58/12/527835812.db2.gz XSUDTOOPBUQWDR-NSHDSACASA-N 1 1 321.381 1.376 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302456816 528311645 /nfs/dbraw/zinc/31/16/45/528311645.db2.gz QPDDJNDBRQPHQA-CHWSQXEVSA-N 1 1 323.393 1.885 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736569973 598628114 /nfs/dbraw/zinc/62/81/14/598628114.db2.gz LZZZOWAPNXMOPY-UHFFFAOYSA-N 1 1 317.353 1.307 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122591895 696723616 /nfs/dbraw/zinc/72/36/16/696723616.db2.gz QXUHNIGBYNJVIV-QWHCGFSZSA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122591895 696723617 /nfs/dbraw/zinc/72/36/17/696723617.db2.gz QXUHNIGBYNJVIV-QWHCGFSZSA-N 1 1 323.397 1.766 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000014194819 696054637 /nfs/dbraw/zinc/05/46/37/696054637.db2.gz YUVLSCAXRHKWAS-UHFFFAOYSA-N 1 1 301.350 1.567 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000134056403 696833081 /nfs/dbraw/zinc/83/30/81/696833081.db2.gz HWCFHUKVSUGJIO-NSHDSACASA-N 1 1 318.782 1.915 20 5 DDBDMO CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc[nH+]c21 ZINC000777712660 698216924 /nfs/dbraw/zinc/21/69/24/698216924.db2.gz JLBPJHAFLQGDSE-HNNXBMFYSA-N 1 1 314.345 1.980 20 5 DDBDMO CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccc[nH+]c21 ZINC000777712662 698217010 /nfs/dbraw/zinc/21/70/10/698217010.db2.gz JLBPJHAFLQGDSE-OAHLLOKOSA-N 1 1 314.345 1.980 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246411966 698349334 /nfs/dbraw/zinc/34/93/34/698349334.db2.gz QSWSDVLYGBYIRR-JSGCOSHPSA-N 1 1 305.382 1.698 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000780867223 698565526 /nfs/dbraw/zinc/56/55/26/698565526.db2.gz NIYIPRMQGAXSKH-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781666837 698638070 /nfs/dbraw/zinc/63/80/70/698638070.db2.gz WZZYXWPSZPSSDE-JTQLQIEISA-N 1 1 308.338 1.603 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782627139 698754551 /nfs/dbraw/zinc/75/45/51/698754551.db2.gz ZBBQUYCTXDHKBM-JRPNMDOOSA-N 1 1 305.334 1.236 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782627139 698754556 /nfs/dbraw/zinc/75/45/56/698754556.db2.gz ZBBQUYCTXDHKBM-JRPNMDOOSA-N 1 1 305.334 1.236 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000786574201 699155464 /nfs/dbraw/zinc/15/54/64/699155464.db2.gz LOQKEAGAEWTPPH-ZDUSSCGKSA-N 1 1 308.382 1.946 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000729527517 699481646 /nfs/dbraw/zinc/48/16/46/699481646.db2.gz OUXHJWUWEJDWQT-UHFFFAOYSA-N 1 1 306.366 1.653 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000801840421 700344848 /nfs/dbraw/zinc/34/48/48/700344848.db2.gz MSQAANSBTJCDLO-MRVPVSSYSA-N 1 1 308.313 1.283 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801857540 700347159 /nfs/dbraw/zinc/34/71/59/700347159.db2.gz FIPXPVRLJVALTE-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO CC[N@H+](CCOC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752789129 700387753 /nfs/dbraw/zinc/38/77/53/700387753.db2.gz NGIABAAUTUHJHC-UHFFFAOYSA-N 1 1 322.365 1.763 20 5 DDBDMO CC[N@@H+](CCOC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752789129 700387755 /nfs/dbraw/zinc/38/77/55/700387755.db2.gz NGIABAAUTUHJHC-UHFFFAOYSA-N 1 1 322.365 1.763 20 5 DDBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000754878772 700535680 /nfs/dbraw/zinc/53/56/80/700535680.db2.gz MYHRJRJRFRZOMQ-UHFFFAOYSA-N 1 1 324.381 1.988 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000804461590 701191785 /nfs/dbraw/zinc/19/17/85/701191785.db2.gz MSDQARZMZQYMEN-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000808228583 701509430 /nfs/dbraw/zinc/50/94/30/701509430.db2.gz VAHXTMRUEOABJW-SNVBAGLBSA-N 1 1 303.322 1.099 20 5 DDBDMO COCCOCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000808237386 701510401 /nfs/dbraw/zinc/51/04/01/701510401.db2.gz OBLXWSZKWHPEQX-UHFFFAOYSA-N 1 1 308.338 1.497 20 5 DDBDMO COCCOCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000808237386 701510402 /nfs/dbraw/zinc/51/04/02/701510402.db2.gz OBLXWSZKWHPEQX-UHFFFAOYSA-N 1 1 308.338 1.497 20 5 DDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665961 701772331 /nfs/dbraw/zinc/77/23/31/701772331.db2.gz JJUMYRBMWKJWQP-ZBFHGGJFSA-N 1 1 322.361 1.903 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839724437 701798243 /nfs/dbraw/zinc/79/82/43/701798243.db2.gz IDLDZDDNNXPULU-NMFUWQPSSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724437 701798248 /nfs/dbraw/zinc/79/82/48/701798248.db2.gz IDLDZDDNNXPULU-NMFUWQPSSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724437 701798252 /nfs/dbraw/zinc/79/82/52/701798252.db2.gz IDLDZDDNNXPULU-NMFUWQPSSA-N 1 1 303.362 1.288 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812342133 702165239 /nfs/dbraw/zinc/16/52/39/702165239.db2.gz JDXBJOMKNSAKGP-KGLIPLIRSA-N 1 1 303.362 1.547 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000842163528 702678941 /nfs/dbraw/zinc/67/89/41/702678941.db2.gz PEVFRQXIONNIRI-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc(-c3csc(C[NH3+])n3)n2)n1C ZINC000843221273 702844790 /nfs/dbraw/zinc/84/47/90/702844790.db2.gz GPWYCHBZNYHZCU-UHFFFAOYSA-N 1 1 321.322 1.269 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000846067716 703233612 /nfs/dbraw/zinc/23/36/12/703233612.db2.gz JGLJGAKWPIDXMD-CYBMUJFWSA-N 1 1 311.769 1.499 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000869786031 703853228 /nfs/dbraw/zinc/85/32/28/703853228.db2.gz OGWPPTMUKKANKC-ZDUSSCGKSA-N 1 1 321.377 1.099 20 5 DDBDMO CC(C)(CCC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)[N+](=O)[O-] ZINC000870089369 703912740 /nfs/dbraw/zinc/91/27/40/703912740.db2.gz AWJHTSSSMHICRI-AWEZNQCLSA-N 1 1 321.377 1.701 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000818969312 704037251 /nfs/dbraw/zinc/03/72/51/704037251.db2.gz CPQYEHDJLBDYND-ZWNOBZJWSA-N 1 1 317.349 1.517 20 5 DDBDMO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981751 704042093 /nfs/dbraw/zinc/04/20/93/704042093.db2.gz YFTGFRGSOQYMPU-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981751 704042096 /nfs/dbraw/zinc/04/20/96/704042096.db2.gz YFTGFRGSOQYMPU-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500389 704251562 /nfs/dbraw/zinc/25/15/62/704251562.db2.gz JNOASLJTOYDDEE-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500389 704251564 /nfs/dbraw/zinc/25/15/64/704251564.db2.gz JNOASLJTOYDDEE-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000854675902 704438221 /nfs/dbraw/zinc/43/82/21/704438221.db2.gz UYVSAHCHBFTVQP-ZIAGYGMSSA-N 1 1 309.410 1.765 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CC[C@@H](O)C3)sc2c1 ZINC000858812849 704760812 /nfs/dbraw/zinc/76/08/12/704760812.db2.gz VNGOJRMPHUPKGD-SNVBAGLBSA-N 1 1 308.363 1.683 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843458 705198503 /nfs/dbraw/zinc/19/85/03/705198503.db2.gz NMZLDTOULMOHFI-HUUCEWRRSA-N 1 1 318.377 1.702 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@](C)(O)c1ccccc1 ZINC000823592243 705275109 /nfs/dbraw/zinc/27/51/09/705275109.db2.gz QLZAVHRHJOJNME-OAHLLOKOSA-N 1 1 304.350 1.631 20 5 DDBDMO CN(CC1=CCSC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876978130 705946671 /nfs/dbraw/zinc/94/66/71/705946671.db2.gz HDEZBHCNPCIYDD-HNNXBMFYSA-N 1 1 321.402 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@@H]21 ZINC000827269715 705964759 /nfs/dbraw/zinc/96/47/59/705964759.db2.gz ZCDXABHKJXFDJJ-ZANVPECISA-N 1 1 322.340 1.482 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827278609 705967175 /nfs/dbraw/zinc/96/71/75/705967175.db2.gz XLANGEAKKQFEIA-AAEUAGOBSA-N 1 1 318.377 1.803 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827363735 705985271 /nfs/dbraw/zinc/98/52/71/705985271.db2.gz CABPIJKYHGOBSC-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863833492 706024473 /nfs/dbraw/zinc/02/44/73/706024473.db2.gz QBMUFEZIHUGANZ-PABFRNLHSA-N 1 1 319.361 1.181 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000877578331 706147857 /nfs/dbraw/zinc/14/78/57/706147857.db2.gz BCMXQGHJJDMNPM-OAHLLOKOSA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000877578331 706147861 /nfs/dbraw/zinc/14/78/61/706147861.db2.gz BCMXQGHJJDMNPM-OAHLLOKOSA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cc(C[N@H+]2CCCCCCNC(=O)CC2)c([N+](=O)[O-])n1 ZINC000877685314 706178767 /nfs/dbraw/zinc/17/87/67/706178767.db2.gz UOTPPYVJYNZDMR-UHFFFAOYSA-N 1 1 309.370 1.211 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000881985976 707455302 /nfs/dbraw/zinc/45/53/02/707455302.db2.gz ANPUIFDYPLKCJQ-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000880608422 707038579 /nfs/dbraw/zinc/03/85/79/707038579.db2.gz AZQDUAYRUHSVEZ-PHIMTYICSA-N 1 1 306.366 1.732 20 5 DDBDMO Cn1cc(C[N@@H+]2CCN(C)c3ncccc3C2)c([N+](=O)[O-])n1 ZINC000872265008 707354721 /nfs/dbraw/zinc/35/47/21/707354721.db2.gz CXEZADPYPRLNKR-UHFFFAOYSA-N 1 1 302.338 1.175 20 5 DDBDMO Cn1cc(C[N@H+]2CCN(C)c3ncccc3C2)c([N+](=O)[O-])n1 ZINC000872265008 707354724 /nfs/dbraw/zinc/35/47/24/707354724.db2.gz CXEZADPYPRLNKR-UHFFFAOYSA-N 1 1 302.338 1.175 20 5 DDBDMO C[N@@H+](CCOC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000837446498 707650828 /nfs/dbraw/zinc/65/08/28/707650828.db2.gz OCTDQOOFEUHHLO-UHFFFAOYSA-N 1 1 318.333 1.467 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000882481047 707651284 /nfs/dbraw/zinc/65/12/84/707651284.db2.gz DGMKUKZYXRHYAG-GFCCVEGCSA-N 1 1 309.391 1.897 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000838137345 707851078 /nfs/dbraw/zinc/85/10/78/707851078.db2.gz QOWQCNNLWYXGAI-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000896913893 708180866 /nfs/dbraw/zinc/18/08/66/708180866.db2.gz XFFHUQSBMHDZPD-ZUZCIYMTSA-N 1 1 320.349 1.164 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897216828 708256128 /nfs/dbraw/zinc/25/61/28/708256128.db2.gz VTKMGRUDZGWOLA-CHWSQXEVSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000885931573 708665303 /nfs/dbraw/zinc/66/53/03/708665303.db2.gz VRBYSPJECBHZIO-AWEZNQCLSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000886147217 708704950 /nfs/dbraw/zinc/70/49/50/708704950.db2.gz MATUOKFSGMCDBQ-UHFFFAOYSA-N 1 1 302.338 1.494 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202723 708714073 /nfs/dbraw/zinc/71/40/73/708714073.db2.gz CKGMAGXJXYAMCP-JSGCOSHPSA-N 1 1 306.366 1.285 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202723 708714075 /nfs/dbraw/zinc/71/40/75/708714075.db2.gz CKGMAGXJXYAMCP-JSGCOSHPSA-N 1 1 306.366 1.285 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886316801 708741331 /nfs/dbraw/zinc/74/13/31/708741331.db2.gz NIOQCWOUTLZSHC-WFASDCNBSA-N 1 1 305.334 1.765 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c2c(c1)COCO2 ZINC000886581634 708781395 /nfs/dbraw/zinc/78/13/95/708781395.db2.gz GSJRKLHXOVSRQX-WKPIXPDZSA-N 1 1 320.345 1.664 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910285166 709866269 /nfs/dbraw/zinc/86/62/69/709866269.db2.gz RAXXGUCSOSSIEO-LBPRGKRZSA-N 1 1 323.397 1.469 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000910285950 709866970 /nfs/dbraw/zinc/86/69/70/709866970.db2.gz DKELSMJLLSQJRV-GFCCVEGCSA-N 1 1 323.397 1.433 20 5 DDBDMO O=C(COC1CC1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000893052289 710547404 /nfs/dbraw/zinc/54/74/04/710547404.db2.gz AJWOBSMNLPCWKI-HNNXBMFYSA-N 1 1 320.345 1.891 20 5 DDBDMO O=C(COC1CC1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000893052289 710547405 /nfs/dbraw/zinc/54/74/05/710547405.db2.gz AJWOBSMNLPCWKI-HNNXBMFYSA-N 1 1 320.345 1.891 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000893884549 710873998 /nfs/dbraw/zinc/87/39/98/710873998.db2.gz FANNZIQELAMUIS-LBPRGKRZSA-N 1 1 310.350 1.902 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000893884549 710874000 /nfs/dbraw/zinc/87/40/00/710874000.db2.gz FANNZIQELAMUIS-LBPRGKRZSA-N 1 1 310.350 1.902 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCF ZINC000894255987 711039302 /nfs/dbraw/zinc/03/93/02/711039302.db2.gz AUZAUZYLDNUXES-MRVPVSSYSA-N 1 1 303.721 1.812 20 5 DDBDMO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000894885140 711308568 /nfs/dbraw/zinc/30/85/68/711308568.db2.gz OOVAZUBFBILKGL-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000894885140 711308571 /nfs/dbraw/zinc/30/85/71/711308571.db2.gz OOVAZUBFBILKGL-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO Cc1c(C[C@H](C[NH3+])CNCc2ccccc2[N+](=O)[O-])cnn1C ZINC000903923042 711333497 /nfs/dbraw/zinc/33/34/97/711333497.db2.gz KEAUCNJMOZUWQC-CYBMUJFWSA-N 1 1 317.393 1.544 20 5 DDBDMO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C[NH3+] ZINC000904410718 711854396 /nfs/dbraw/zinc/85/43/96/711854396.db2.gz FYBCPMLRQTXRGB-VXGBXAGGSA-N 1 1 321.377 1.783 20 5 DDBDMO CCOc1ccccc1C[N@@H+]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930321996 713803019 /nfs/dbraw/zinc/80/30/19/713803019.db2.gz BUABQDDBRBKQQY-AWEZNQCLSA-N 1 1 307.394 1.868 20 5 DDBDMO CCOc1ccccc1C[N@H+]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930321996 713803022 /nfs/dbraw/zinc/80/30/22/713803022.db2.gz BUABQDDBRBKQQY-AWEZNQCLSA-N 1 1 307.394 1.868 20 5 DDBDMO O=C(CN1CCn2cc[nH+]c21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000931522599 714118790 /nfs/dbraw/zinc/11/87/90/714118790.db2.gz HTCQGTYLOBEPER-UHFFFAOYSA-N 1 1 313.317 1.201 20 5 DDBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000922951624 714196129 /nfs/dbraw/zinc/19/61/29/714196129.db2.gz PYPULANVHDVEGZ-INIZCTEOSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1cccc(CNC[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000922951624 714196131 /nfs/dbraw/zinc/19/61/31/714196131.db2.gz PYPULANVHDVEGZ-INIZCTEOSA-N 1 1 305.378 1.938 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923269446 714291631 /nfs/dbraw/zinc/29/16/31/714291631.db2.gz MNOWYAJFEISNCS-YPMHNXCESA-N 1 1 319.361 1.912 20 5 DDBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932439104 714331567 /nfs/dbraw/zinc/33/15/67/714331567.db2.gz FDVZOKGQOGYCIX-LBPRGKRZSA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932439104 714331570 /nfs/dbraw/zinc/33/15/70/714331570.db2.gz FDVZOKGQOGYCIX-LBPRGKRZSA-N 1 1 309.370 1.170 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933170682 714526943 /nfs/dbraw/zinc/52/69/43/714526943.db2.gz KNCKQGHXJQPFLT-UXIGCNINSA-N 1 1 322.361 1.902 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000933623412 714633372 /nfs/dbraw/zinc/63/33/72/714633372.db2.gz QSOHSNUOASNRCI-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731805 714657810 /nfs/dbraw/zinc/65/78/10/714657810.db2.gz HHBHDEVBQLLIBA-XJKSGUPXSA-N 1 1 305.378 1.987 20 5 DDBDMO CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000933995590 714718188 /nfs/dbraw/zinc/71/81/88/714718188.db2.gz FIGWZQPGPMDDCT-UHFFFAOYSA-N 1 1 306.410 1.317 20 5 DDBDMO CN1CCN(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000933995590 714718190 /nfs/dbraw/zinc/71/81/90/714718190.db2.gz FIGWZQPGPMDDCT-UHFFFAOYSA-N 1 1 306.410 1.317 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115525 714745271 /nfs/dbraw/zinc/74/52/71/714745271.db2.gz ATJKKNOKBRBEEN-ZFWWWQNUSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115525 714745272 /nfs/dbraw/zinc/74/52/72/714745272.db2.gz ATJKKNOKBRBEEN-ZFWWWQNUSA-N 1 1 319.361 1.593 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934121500 714747778 /nfs/dbraw/zinc/74/77/78/714747778.db2.gz NARZHFGRVQTBRZ-QWHCGFSZSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000934121500 714747779 /nfs/dbraw/zinc/74/77/79/714747779.db2.gz NARZHFGRVQTBRZ-QWHCGFSZSA-N 1 1 323.349 1.651 20 5 DDBDMO O=C1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCN1 ZINC000934155738 714756282 /nfs/dbraw/zinc/75/62/82/714756282.db2.gz SQPKTTREOUERDI-OAHLLOKOSA-N 1 1 321.377 1.620 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934252388 714774719 /nfs/dbraw/zinc/77/47/19/714774719.db2.gz MOODQSACGBAKRJ-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934252388 714774720 /nfs/dbraw/zinc/77/47/20/714774720.db2.gz MOODQSACGBAKRJ-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934252388 714774721 /nfs/dbraw/zinc/77/47/21/714774721.db2.gz MOODQSACGBAKRJ-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cs1 ZINC000934258099 714777718 /nfs/dbraw/zinc/77/77/18/714777718.db2.gz PWLFCIIGQNUBOP-STQMWFEESA-N 1 1 311.407 1.687 20 5 DDBDMO Cc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928550 721854372 /nfs/dbraw/zinc/85/43/72/721854372.db2.gz OFDFHGNKIGDNSP-KGLIPLIRSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928550 721854373 /nfs/dbraw/zinc/85/43/73/721854373.db2.gz OFDFHGNKIGDNSP-KGLIPLIRSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC001020140114 736999213 /nfs/dbraw/zinc/99/92/13/736999213.db2.gz ZGANVFSRBYMGAX-KLHDSHLOSA-N 1 1 317.389 1.705 20 5 DDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC001031511144 746922884 /nfs/dbraw/zinc/92/28/84/746922884.db2.gz XLVRWFVBKHODLP-UHFFFAOYSA-N 1 1 303.362 1.943 20 5 DDBDMO CC(C)OCCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471831 748265485 /nfs/dbraw/zinc/26/54/85/748265485.db2.gz JUVQMRTWKVHQMU-ZIAGYGMSSA-N 1 1 313.398 1.047 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2ccccc2)CC1 ZINC000996428453 749586069 /nfs/dbraw/zinc/58/60/69/749586069.db2.gz DRQYIHQBCXIQTI-HZPDHXFCSA-N 1 1 317.389 1.475 20 5 DDBDMO Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429702 749588851 /nfs/dbraw/zinc/58/88/51/749588851.db2.gz SSDQHOMUYIOSDP-VXGBXAGGSA-N 1 1 324.406 1.197 20 5 DDBDMO CC(C)(C)OC(=O)c1ccc(-n2cnc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001168753431 750368307 /nfs/dbraw/zinc/36/83/07/750368307.db2.gz BGIHJXODNJHQBY-UHFFFAOYSA-N 1 1 319.321 1.590 20 5 DDBDMO Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644417 750626271 /nfs/dbraw/zinc/62/62/71/750626271.db2.gz GLYBUBBXFQUJRN-HKUMRIAESA-N 1 1 322.365 1.165 20 5 DDBDMO O=C(NCC1=CC[N@@H+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674016 762078616 /nfs/dbraw/zinc/07/86/16/762078616.db2.gz KYGCQHBAUFXSCN-ZIAGYGMSSA-N 1 1 321.402 1.662 20 5 DDBDMO O=C(NCC1=CC[N@H+](Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674016 762078623 /nfs/dbraw/zinc/07/86/23/762078623.db2.gz KYGCQHBAUFXSCN-ZIAGYGMSSA-N 1 1 321.402 1.662 20 5 DDBDMO O=C(NCC1=CC[N@@H+](Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674016 762078630 /nfs/dbraw/zinc/07/86/30/762078630.db2.gz KYGCQHBAUFXSCN-ZIAGYGMSSA-N 1 1 321.402 1.662 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080698 751247302 /nfs/dbraw/zinc/24/73/02/751247302.db2.gz VGECPZAUWXQULS-OEAJRASXSA-N 1 1 315.373 1.861 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097212392 756983170 /nfs/dbraw/zinc/98/31/70/756983170.db2.gz SSEQIWGTNMEXOK-BETUJISGSA-N 1 1 320.393 1.996 20 5 DDBDMO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000827974858 759433286 /nfs/dbraw/zinc/43/32/86/759433286.db2.gz HYVULXXIRXPGFU-GFCCVEGCSA-N 1 1 317.345 1.205 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000829048852 759871222 /nfs/dbraw/zinc/87/12/22/759871222.db2.gz BNASQRQLDYMNPW-INIZCTEOSA-N 1 1 303.362 1.739 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001048812843 769932100 /nfs/dbraw/zinc/93/21/00/769932100.db2.gz QUYXJCPFRRLIOP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001048812843 769932106 /nfs/dbraw/zinc/93/21/06/769932106.db2.gz QUYXJCPFRRLIOP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001048812843 769932112 /nfs/dbraw/zinc/93/21/12/769932112.db2.gz QUYXJCPFRRLIOP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506994 773155299 /nfs/dbraw/zinc/15/52/99/773155299.db2.gz JMZLMYJCHMZFPJ-JHZNUDOXSA-N 1 1 307.394 1.542 20 5 DDBDMO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506994 773155302 /nfs/dbraw/zinc/15/53/02/773155302.db2.gz JMZLMYJCHMZFPJ-JHZNUDOXSA-N 1 1 307.394 1.542 20 5 DDBDMO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506994 773155303 /nfs/dbraw/zinc/15/53/03/773155303.db2.gz JMZLMYJCHMZFPJ-JHZNUDOXSA-N 1 1 307.394 1.542 20 5 DDBDMO Cc1cc(NCCNC(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001093673977 774988338 /nfs/dbraw/zinc/98/83/38/774988338.db2.gz GWVPBFJRWIRHHV-UHFFFAOYSA-N 1 1 308.382 1.772 20 5 DDBDMO Cc1cnc(NCCNC(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001094221351 775542503 /nfs/dbraw/zinc/54/25/03/775542503.db2.gz AQTWEEVIUHEDPW-UHFFFAOYSA-N 1 1 321.381 1.311 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907533 776918072 /nfs/dbraw/zinc/91/80/72/776918072.db2.gz GXQVGZYIALVFLJ-RISCZKNCSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907533 776918078 /nfs/dbraw/zinc/91/80/78/776918078.db2.gz GXQVGZYIALVFLJ-RISCZKNCSA-N 1 1 303.362 1.663 20 5 DDBDMO CN(C)C(=O)C[N@@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915524 776929954 /nfs/dbraw/zinc/92/99/54/776929954.db2.gz NXVUPSKIAFRQSE-AWEZNQCLSA-N 1 1 305.378 1.862 20 5 DDBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)nn1 ZINC001176887849 778295263 /nfs/dbraw/zinc/29/52/63/778295263.db2.gz VEPWSPBGWYDVPP-LLVKDONJSA-N 1 1 302.338 1.498 20 5 DDBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)nn1 ZINC001176887849 778295270 /nfs/dbraw/zinc/29/52/70/778295270.db2.gz VEPWSPBGWYDVPP-LLVKDONJSA-N 1 1 302.338 1.498 20 5 DDBDMO O=c1c2ccccc2ncn1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC001176994963 778378743 /nfs/dbraw/zinc/37/87/43/778378743.db2.gz FNGCMCKASFJGKZ-UHFFFAOYSA-N 1 1 302.334 1.310 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001177515057 778630631 /nfs/dbraw/zinc/63/06/31/778630631.db2.gz YWEMNOJSTFSERP-UHFFFAOYSA-N 1 1 303.322 1.366 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482968 861401821 /nfs/dbraw/zinc/40/18/21/861401821.db2.gz RPNNPAOIBDOEBH-KCPJHIHWSA-N 1 1 321.377 1.427 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001149922385 861976852 /nfs/dbraw/zinc/97/68/52/861976852.db2.gz DDGHDBOWQVHEDI-GFCCVEGCSA-N 1 1 317.301 1.680 20 5 DDBDMO COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](C(C)C)CC1 ZINC001151121809 862636431 /nfs/dbraw/zinc/63/64/31/862636431.db2.gz UGWDNXDFRNZPQQ-CHWSQXEVSA-N 1 1 313.398 1.047 20 5 DDBDMO CC1(C)CC(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)C1 ZINC001072724763 857642109 /nfs/dbraw/zinc/64/21/09/857642109.db2.gz DORCAEIRQYMEAC-ZIAGYGMSSA-N 1 1 321.421 1.622 20 5 DDBDMO CC1(C)CC(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)C1 ZINC001072724763 857642114 /nfs/dbraw/zinc/64/21/14/857642114.db2.gz DORCAEIRQYMEAC-ZIAGYGMSSA-N 1 1 321.421 1.622 20 5 DDBDMO CC1(C)CC(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)C1 ZINC001072724763 857642116 /nfs/dbraw/zinc/64/21/16/857642116.db2.gz DORCAEIRQYMEAC-ZIAGYGMSSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H](F)C1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001142082212 861014749 /nfs/dbraw/zinc/01/47/49/861014749.db2.gz BIRIVIFRWIMOSM-CYBMUJFWSA-N 1 1 309.341 1.687 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2ccc(NCC3([NH+]4CCCC4)COC3)nc21 ZINC001157655280 864020618 /nfs/dbraw/zinc/02/06/18/864020618.db2.gz NLEMSZWVRCRDRY-UHFFFAOYSA-N 1 1 317.349 1.748 20 5 DDBDMO Cc1cccc(OCC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157775841 864131510 /nfs/dbraw/zinc/13/15/10/864131510.db2.gz ZZEFWDDTIDVJCO-HUUCEWRRSA-N 1 1 321.377 1.135 20 5 DDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1CCO ZINC001331599355 865175080 /nfs/dbraw/zinc/17/50/80/865175080.db2.gz CPNPWDXUWHTRBQ-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001159293841 865207975 /nfs/dbraw/zinc/20/79/75/865207975.db2.gz ZWKNSQAAWUSDCY-UHFFFAOYSA-N 1 1 312.717 1.048 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159884671 865581852 /nfs/dbraw/zinc/58/18/52/865581852.db2.gz JVHDOLJHPXIQHN-GVXVVHGQSA-N 1 1 304.350 1.247 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1[N+](=O)[O-] ZINC001333581881 866859111 /nfs/dbraw/zinc/85/91/11/866859111.db2.gz HNSRLWQAICAPCA-JTQLQIEISA-N 1 1 308.338 1.382 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1[N+](=O)[O-] ZINC001333581881 866859131 /nfs/dbraw/zinc/85/91/31/866859131.db2.gz HNSRLWQAICAPCA-JTQLQIEISA-N 1 1 308.338 1.382 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001322552431 868242300 /nfs/dbraw/zinc/24/23/00/868242300.db2.gz CVSLKDAHLTWUPF-CYBMUJFWSA-N 1 1 308.382 1.633 20 5 DDBDMO CC(C)[N@H+](C)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335365110 868251219 /nfs/dbraw/zinc/25/12/19/868251219.db2.gz AGSIURQAOFYGPW-CQSZACIVSA-N 1 1 311.382 1.264 20 5 DDBDMO CC(C)[N@@H+](C)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335365110 868251235 /nfs/dbraw/zinc/25/12/35/868251235.db2.gz AGSIURQAOFYGPW-CQSZACIVSA-N 1 1 311.382 1.264 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173299 882249926 /nfs/dbraw/zinc/24/99/26/882249926.db2.gz RXCLVLPOQXMHRD-GFCCVEGCSA-N 1 1 307.350 1.945 20 5 DDBDMO [NH3+][C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)CCC1(F)F ZINC001164319746 869123982 /nfs/dbraw/zinc/12/39/82/869123982.db2.gz OAMWOPLZFHEBNB-LLVKDONJSA-N 1 1 309.276 1.711 20 5 DDBDMO Cc1[nH+]cc2n1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001165385593 869558530 /nfs/dbraw/zinc/55/85/30/869558530.db2.gz XZNDUNHEHHGMIM-UHFFFAOYSA-N 1 1 304.266 1.423 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339265102 870428469 /nfs/dbraw/zinc/42/84/69/870428469.db2.gz OXYCMCCZRVYGIL-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001340021302 870845907 /nfs/dbraw/zinc/84/59/07/870845907.db2.gz RTJBFQCCISPCDV-QWHCGFSZSA-N 1 1 322.413 1.038 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC001305873766 871307403 /nfs/dbraw/zinc/30/74/03/871307403.db2.gz KQCIQNDXWBBDPU-ZMLRMANQSA-N 1 1 304.350 1.247 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNc2nn(C)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001306922206 871381014 /nfs/dbraw/zinc/38/10/14/871381014.db2.gz IJQSSDRFHYEKGK-GHMZBOCLSA-N 1 1 311.386 1.628 20 5 DDBDMO COC(=O)CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001340963500 871442330 /nfs/dbraw/zinc/44/23/30/871442330.db2.gz ZRPLRDXJEOYQFV-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](c3ncccn3)C2)cc1 ZINC001308111071 871471554 /nfs/dbraw/zinc/47/15/54/871471554.db2.gz BMDWUSCEEIVSQE-DZGCQCFKSA-N 1 1 314.345 1.908 20 5 DDBDMO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308730775 871523868 /nfs/dbraw/zinc/52/38/68/871523868.db2.gz WJHGVGZUGLIGOY-SECBINFHSA-N 1 1 311.338 1.265 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001310094312 871620065 /nfs/dbraw/zinc/62/00/65/871620065.db2.gz FSOHZBNUSRZZHS-LBPRGKRZSA-N 1 1 322.365 1.562 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001352915739 877005280 /nfs/dbraw/zinc/00/52/80/877005280.db2.gz DJLQETHWDVNUFU-GFCCVEGCSA-N 1 1 319.365 1.422 20 5 DDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001356582381 879111463 /nfs/dbraw/zinc/11/14/63/879111463.db2.gz FIZWNNFVGBYETP-GFCCVEGCSA-N 1 1 306.366 1.480 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3nccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228014393 883285617 /nfs/dbraw/zinc/28/56/17/883285617.db2.gz KDVZYRWAXWNGNB-XROYCOCOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3nccc(Cl)c3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001228014393 883285628 /nfs/dbraw/zinc/28/56/28/883285628.db2.gz KDVZYRWAXWNGNB-XROYCOCOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@@H+]1CCO[C@H](COc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803517 883680013 /nfs/dbraw/zinc/68/00/13/883680013.db2.gz CCCAVUAMVZDFPE-JTQLQIEISA-N 1 1 320.301 1.411 20 5 DDBDMO C[N@H+]1CCO[C@H](COc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228803517 883680018 /nfs/dbraw/zinc/68/00/18/883680018.db2.gz CCCAVUAMVZDFPE-JTQLQIEISA-N 1 1 320.301 1.411 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233599649 887140115 /nfs/dbraw/zinc/14/01/15/887140115.db2.gz LDMJIHDNPKTEIQ-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO COC(=O)c1cnc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001233860350 887398996 /nfs/dbraw/zinc/39/89/96/887398996.db2.gz ZVJOFZYBBHAOIP-NSHDSACASA-N 1 1 309.322 1.640 20 5 DDBDMO COc1cc(CC[N+](=O)[O-])ccc1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001233984332 887525226 /nfs/dbraw/zinc/52/52/26/887525226.db2.gz GQRAZZWGLDOMLX-CQSZACIVSA-N 1 1 324.377 1.614 20 5 DDBDMO CCCOCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235137561 888430827 /nfs/dbraw/zinc/43/08/27/888430827.db2.gz OHGLYNGQZZCGIV-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO [NH3+]C[C@]1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580891 896513990 /nfs/dbraw/zinc/51/39/90/896513990.db2.gz HTTVOUBZSLYYPJ-RDJZCZTQSA-N 1 1 316.405 1.075 20 5 DDBDMO O=C1NCC[C@@]12CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594366 896522832 /nfs/dbraw/zinc/52/28/32/896522832.db2.gz QIINQQHGKCDKHJ-ZBFHGGJFSA-N 1 1 301.346 1.274 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC3(C1)OCCO3)C2 ZINC001254602380 896528222 /nfs/dbraw/zinc/52/82/22/896528222.db2.gz FEYNJGRFGKTPLU-HNNXBMFYSA-N 1 1 304.346 1.901 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001293327197 914416670 /nfs/dbraw/zinc/41/66/70/914416670.db2.gz DIWDQXOJEJMNCT-NSHDSACASA-N 1 1 307.354 1.176 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1CO ZINC000248934204 282118655 /nfs/dbraw/zinc/11/86/55/282118655.db2.gz MYQNXVSWHMYHLY-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CN1CCN(C(=O)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000278725083 214356615 /nfs/dbraw/zinc/35/66/15/214356615.db2.gz VKFJVRLOEAREMV-UHFFFAOYSA-N 1 1 320.393 1.191 20 5 DDBDMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451576903 231129881 /nfs/dbraw/zinc/12/98/81/231129881.db2.gz VCDXAVXYBVYCHT-FZMZJTMJSA-N 1 1 307.350 1.890 20 5 DDBDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451576903 231129884 /nfs/dbraw/zinc/12/98/84/231129884.db2.gz VCDXAVXYBVYCHT-FZMZJTMJSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451634545 231146694 /nfs/dbraw/zinc/14/66/94/231146694.db2.gz RQCMMHGSWHRGIR-SLEUVZQESA-N 1 1 318.377 1.558 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452063834 231287711 /nfs/dbraw/zinc/28/77/11/231287711.db2.gz CKWOCFPCJRPCEB-FZMZJTMJSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452063834 231287713 /nfs/dbraw/zinc/28/77/13/231287713.db2.gz CKWOCFPCJRPCEB-FZMZJTMJSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425060995 529821696 /nfs/dbraw/zinc/82/16/96/529821696.db2.gz XEULJONHWSURBR-WCQYABFASA-N 1 1 321.381 1.079 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000330799865 232078182 /nfs/dbraw/zinc/07/81/82/232078182.db2.gz ZAHXMQPEFLRABH-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000330799865 232078185 /nfs/dbraw/zinc/07/81/85/232078185.db2.gz ZAHXMQPEFLRABH-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000272659566 210065584 /nfs/dbraw/zinc/06/55/84/210065584.db2.gz BRSGBXCBIVDJNX-LBPRGKRZSA-N 1 1 319.361 1.740 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000048426747 352539028 /nfs/dbraw/zinc/53/90/28/352539028.db2.gz LPUJNRZVVVDUGV-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cnnn2C)cc1[N+](=O)[O-] ZINC000287188753 219369545 /nfs/dbraw/zinc/36/95/45/219369545.db2.gz CZVLZKKVHPLZTE-SNVBAGLBSA-N 1 1 305.338 1.973 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000189982405 186258230 /nfs/dbraw/zinc/25/82/30/186258230.db2.gz AMSILJNNGGFGNC-UHFFFAOYSA-N 1 1 300.384 1.334 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000265154233 186342496 /nfs/dbraw/zinc/34/24/96/186342496.db2.gz UGGGZIFGEYPIGG-UHFFFAOYSA-N 1 1 307.350 1.187 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266853564 186359774 /nfs/dbraw/zinc/35/97/74/186359774.db2.gz FRQGNQMORRHOQI-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000266853564 186359775 /nfs/dbraw/zinc/35/97/75/186359775.db2.gz FRQGNQMORRHOQI-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601235249 358458501 /nfs/dbraw/zinc/45/85/01/358458501.db2.gz NESCJRFERVPUFK-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO CNc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000027689158 352221813 /nfs/dbraw/zinc/22/18/13/352221813.db2.gz MNZBLIPWXZEUOS-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072630226 191206141 /nfs/dbraw/zinc/20/61/41/191206141.db2.gz QFZOFCAXHORIPK-ABAIWWIYSA-N 1 1 320.349 1.551 20 5 DDBDMO CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664885 191211959 /nfs/dbraw/zinc/21/19/59/191211959.db2.gz LJHPUOYFLNYMTN-LLVKDONJSA-N 1 1 321.381 1.391 20 5 DDBDMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664885 191211962 /nfs/dbraw/zinc/21/19/62/191211962.db2.gz LJHPUOYFLNYMTN-LLVKDONJSA-N 1 1 321.381 1.391 20 5 DDBDMO COC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172890033 198163444 /nfs/dbraw/zinc/16/34/44/198163444.db2.gz HBATWPMFRKLTNA-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172890033 198163445 /nfs/dbraw/zinc/16/34/45/198163445.db2.gz HBATWPMFRKLTNA-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO CCCC[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060478305 352874122 /nfs/dbraw/zinc/87/41/22/352874122.db2.gz GDRARNLCCGADTO-AWEZNQCLSA-N 1 1 312.366 1.429 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000064739142 352943566 /nfs/dbraw/zinc/94/35/66/352943566.db2.gz CGYXKSNFVCIGQX-UHFFFAOYSA-N 1 1 323.397 1.370 20 5 DDBDMO Cc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000073000320 353231356 /nfs/dbraw/zinc/23/13/56/353231356.db2.gz JIBQCRMLVQKSCB-CQSZACIVSA-N 1 1 321.425 1.982 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174705467 198373245 /nfs/dbraw/zinc/37/32/45/198373245.db2.gz CTWDBUBROAVZIN-SECBINFHSA-N 1 1 313.741 1.501 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174705467 198373246 /nfs/dbraw/zinc/37/32/46/198373246.db2.gz CTWDBUBROAVZIN-SECBINFHSA-N 1 1 313.741 1.501 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CO)C1 ZINC000174709854 198373457 /nfs/dbraw/zinc/37/34/57/198373457.db2.gz RPDNBHCHDYGKQG-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CO)C1 ZINC000174709854 198373459 /nfs/dbraw/zinc/37/34/59/198373459.db2.gz RPDNBHCHDYGKQG-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO CN1CCN(CCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000174722407 198375471 /nfs/dbraw/zinc/37/54/71/198375471.db2.gz PRLUPIFBUWKXOX-UHFFFAOYSA-N 1 1 306.410 1.664 20 5 DDBDMO CN1CCN(CCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000174722407 198375473 /nfs/dbraw/zinc/37/54/73/198375473.db2.gz PRLUPIFBUWKXOX-UHFFFAOYSA-N 1 1 306.410 1.664 20 5 DDBDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738164 198378632 /nfs/dbraw/zinc/37/86/32/198378632.db2.gz MHADJYQXKOJFQJ-YPMHNXCESA-N 1 1 322.340 1.984 20 5 DDBDMO Cc1nn(C)c(NC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000079884813 353580651 /nfs/dbraw/zinc/58/06/51/353580651.db2.gz YVKMGJKJPZEDMB-UHFFFAOYSA-N 1 1 310.402 1.075 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108299434 353949640 /nfs/dbraw/zinc/94/96/40/353949640.db2.gz IZGNSAOMMZAHLV-AWEZNQCLSA-N 1 1 303.362 1.738 20 5 DDBDMO COc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157631070 354226411 /nfs/dbraw/zinc/22/64/11/354226411.db2.gz HFBKPJABSVGMIS-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157631070 354226415 /nfs/dbraw/zinc/22/64/15/354226415.db2.gz HFBKPJABSVGMIS-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO CC1(C)C[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000587749463 354885340 /nfs/dbraw/zinc/88/53/40/354885340.db2.gz GUGCDANKHCKFDP-UHFFFAOYSA-N 1 1 324.381 1.192 20 5 DDBDMO CC1(C)C[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 ZINC000587749463 354885341 /nfs/dbraw/zinc/88/53/41/354885341.db2.gz GUGCDANKHCKFDP-UHFFFAOYSA-N 1 1 324.381 1.192 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000588838648 354940978 /nfs/dbraw/zinc/94/09/78/354940978.db2.gz XHSOQWCGNKXCOZ-VXGBXAGGSA-N 1 1 309.370 1.029 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000589514772 354998601 /nfs/dbraw/zinc/99/86/01/354998601.db2.gz LNSYVYHLUHZHFD-IINYFYTJSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000589514772 354998603 /nfs/dbraw/zinc/99/86/03/354998603.db2.gz LNSYVYHLUHZHFD-IINYFYTJSA-N 1 1 308.334 1.584 20 5 DDBDMO CN(C(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012327 355040723 /nfs/dbraw/zinc/04/07/23/355040723.db2.gz QWZXLAMFDMQCFV-WFASDCNBSA-N 1 1 318.377 1.194 20 5 DDBDMO C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045685 355043444 /nfs/dbraw/zinc/04/34/44/355043444.db2.gz SVRKMGJNYXVODN-RWSFTLGLSA-N 1 1 321.352 2.000 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590558505 355113843 /nfs/dbraw/zinc/11/38/43/355113843.db2.gz RHKWHJLGUFQIPA-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000590442263 355096348 /nfs/dbraw/zinc/09/63/48/355096348.db2.gz FCGFGKYRIZNOIE-CABZTGNLSA-N 1 1 319.317 1.100 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443440 355097178 /nfs/dbraw/zinc/09/71/78/355097178.db2.gz IRCCTHOBQYUGRL-SMDDNHRTSA-N 1 1 305.334 1.136 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000590446620 355099675 /nfs/dbraw/zinc/09/96/75/355099675.db2.gz TYJAIVXHGVBAHF-HZMBPMFUSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446351 355099795 /nfs/dbraw/zinc/09/97/95/355099795.db2.gz UTPAZNMRFOSNOL-FZMZJTMJSA-N 1 1 321.402 1.849 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655919 355138878 /nfs/dbraw/zinc/13/88/78/355138878.db2.gz MZFNRPSVYUMKFS-WCQYABFASA-N 1 1 322.361 1.959 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](CCCO)C1)OCCO2 ZINC000590663761 355139961 /nfs/dbraw/zinc/13/99/61/355139961.db2.gz CWIJRBZSRBDYAU-LBPRGKRZSA-N 1 1 322.361 1.960 20 5 DDBDMO CCCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592831323 355707314 /nfs/dbraw/zinc/70/73/14/355707314.db2.gz KSRDFPWAWNACLA-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593461741 355892473 /nfs/dbraw/zinc/89/24/73/355892473.db2.gz OJNSHGTXHNQRLR-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727780 355976994 /nfs/dbraw/zinc/97/69/94/355976994.db2.gz RVALRBHSRMWEPF-CQSZACIVSA-N 1 1 317.349 1.180 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000594198978 356138049 /nfs/dbraw/zinc/13/80/49/356138049.db2.gz WXAPPBXZEBOZSJ-QWRGUYRKSA-N 1 1 307.354 1.075 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080780353 192189241 /nfs/dbraw/zinc/18/92/41/192189241.db2.gz ZNQHXRHTGUZMRC-CYBMUJFWSA-N 1 1 322.365 1.515 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000595011335 356372460 /nfs/dbraw/zinc/37/24/60/356372460.db2.gz HDPFPLKKBLKDMO-GWCFXTLKSA-N 1 1 307.350 1.875 20 5 DDBDMO C[N@@H+]1CCO[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081434200 192264688 /nfs/dbraw/zinc/26/46/88/192264688.db2.gz SKRFPGQYTMFWQP-OAHLLOKOSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@H+]1CCO[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081434200 192264690 /nfs/dbraw/zinc/26/46/90/192264690.db2.gz SKRFPGQYTMFWQP-OAHLLOKOSA-N 1 1 321.377 1.364 20 5 DDBDMO Nc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000595522643 356532119 /nfs/dbraw/zinc/53/21/19/356532119.db2.gz DLUDONSHKABVHM-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081579335 192295926 /nfs/dbraw/zinc/29/59/26/192295926.db2.gz VVPQGLAFBZTBPJ-NSHDSACASA-N 1 1 322.365 1.237 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000595835712 356671484 /nfs/dbraw/zinc/67/14/84/356671484.db2.gz XBKCYAWIPLJJGY-LBPRGKRZSA-N 1 1 308.334 1.057 20 5 DDBDMO Cc1nn(C)c(N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596269341 356838726 /nfs/dbraw/zinc/83/87/26/356838726.db2.gz RPHUZBGNFIWJCZ-UHFFFAOYSA-N 1 1 323.397 1.328 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1COCCO1 ZINC000597207832 357092906 /nfs/dbraw/zinc/09/29/06/357092906.db2.gz VYPVBXFDEOTGRS-LBPRGKRZSA-N 1 1 324.333 1.213 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1COCCO1 ZINC000597207832 357092907 /nfs/dbraw/zinc/09/29/07/357092907.db2.gz VYPVBXFDEOTGRS-LBPRGKRZSA-N 1 1 324.333 1.213 20 5 DDBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597946004 357393663 /nfs/dbraw/zinc/39/36/63/357393663.db2.gz MKQIXAHPBPAMNO-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597946004 357393669 /nfs/dbraw/zinc/39/36/69/357393669.db2.gz MKQIXAHPBPAMNO-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597946004 357393676 /nfs/dbraw/zinc/39/36/76/357393676.db2.gz MKQIXAHPBPAMNO-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000598342334 357545596 /nfs/dbraw/zinc/54/55/96/357545596.db2.gz MDOCILWLKDQCNA-NSHDSACASA-N 1 1 309.370 1.127 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000598342782 357545926 /nfs/dbraw/zinc/54/59/26/357545926.db2.gz QDEVTLBGHGNAMX-NSHDSACASA-N 1 1 321.333 1.538 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650803 357670197 /nfs/dbraw/zinc/67/01/97/357670197.db2.gz OXQNQBOIWBPGGZ-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650803 357670201 /nfs/dbraw/zinc/67/02/01/357670201.db2.gz OXQNQBOIWBPGGZ-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(C)COC1 ZINC000599571755 357979267 /nfs/dbraw/zinc/97/92/67/357979267.db2.gz ULTOUURXPKGKJV-NSHDSACASA-N 1 1 307.350 1.890 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@](C)(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180184296 199127399 /nfs/dbraw/zinc/12/73/99/199127399.db2.gz KGXZNPNSUZEACJ-MRXNPFEDSA-N 1 1 316.361 1.952 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600473145 358234658 /nfs/dbraw/zinc/23/46/58/358234658.db2.gz RXWLVDIBCCQWHH-GFCCVEGCSA-N 1 1 306.366 1.680 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115795 358408103 /nfs/dbraw/zinc/40/81/03/358408103.db2.gz CGRJFHYSYGVUMG-GFCCVEGCSA-N 1 1 323.372 1.709 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115795 358408106 /nfs/dbraw/zinc/40/81/06/358408106.db2.gz CGRJFHYSYGVUMG-GFCCVEGCSA-N 1 1 323.372 1.709 20 5 DDBDMO CNC(=O)[C@H](C)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601124857 358412720 /nfs/dbraw/zinc/41/27/20/358412720.db2.gz VFLTZTQVIUMGAE-SNVBAGLBSA-N 1 1 302.334 1.961 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601172728 358432303 /nfs/dbraw/zinc/43/23/03/358432303.db2.gz HOACFGCBXCGJGP-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO NC(=O)c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000271645942 283378771 /nfs/dbraw/zinc/37/87/71/283378771.db2.gz QUSPMUOHVSQCMD-NSHDSACASA-N 1 1 315.333 1.801 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000602043316 358788998 /nfs/dbraw/zinc/78/89/98/358788998.db2.gz CUJZMUSWSFVUNI-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681233 359122385 /nfs/dbraw/zinc/12/23/85/359122385.db2.gz MWKSYFYJSHXJTO-IONNQARKSA-N 1 1 308.260 1.073 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681233 359122387 /nfs/dbraw/zinc/12/23/87/359122387.db2.gz MWKSYFYJSHXJTO-IONNQARKSA-N 1 1 308.260 1.073 20 5 DDBDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792801 359194888 /nfs/dbraw/zinc/19/48/88/359194888.db2.gz COOYBKKAGPOJKV-XQQFMLRXSA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000602851684 359239214 /nfs/dbraw/zinc/23/92/14/359239214.db2.gz CAFQMLHOOUUXRD-KBPBESRZSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000602853469 359240449 /nfs/dbraw/zinc/24/04/49/359240449.db2.gz ZQUZCISAYZNLSH-ZDUSSCGKSA-N 1 1 312.395 1.308 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000602853469 359240452 /nfs/dbraw/zinc/24/04/52/359240452.db2.gz ZQUZCISAYZNLSH-ZDUSSCGKSA-N 1 1 312.395 1.308 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000602795884 359197400 /nfs/dbraw/zinc/19/74/00/359197400.db2.gz BYAGAKDJUMSECD-OLZOCXBDSA-N 1 1 321.381 1.090 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602821805 359215912 /nfs/dbraw/zinc/21/59/12/359215912.db2.gz ACWYRPRIPKJFLL-IAGOWNOFSA-N 1 1 322.405 1.981 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899318 359281163 /nfs/dbraw/zinc/28/11/63/359281163.db2.gz PNCNHHNHGNOMIP-DZGCQCFKSA-N 1 1 310.350 1.181 20 5 DDBDMO CC(C)[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000188876102 200315144 /nfs/dbraw/zinc/31/51/44/200315144.db2.gz GGPYFWREKAZULJ-UHFFFAOYSA-N 1 1 313.329 1.765 20 5 DDBDMO COc1cc(C[N@H+](C)CC2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000188954621 200326890 /nfs/dbraw/zinc/32/68/90/200326890.db2.gz NXLXZONTZHGRIU-UHFFFAOYSA-N 1 1 310.350 1.816 20 5 DDBDMO COc1cc(C[N@@H+](C)CC2(CO)CC2)c([N+](=O)[O-])cc1OC ZINC000188954621 200326892 /nfs/dbraw/zinc/32/68/92/200326892.db2.gz NXLXZONTZHGRIU-UHFFFAOYSA-N 1 1 310.350 1.816 20 5 DDBDMO O=C(NCc1cnc[nH]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610491360 360450370 /nfs/dbraw/zinc/45/03/70/360450370.db2.gz YDIGURUOTBFWTI-UHFFFAOYSA-N 1 1 304.262 1.019 20 5 DDBDMO O=C(CC[N@H+]1CCc2c[nH]nc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000611008633 360599466 /nfs/dbraw/zinc/59/94/66/360599466.db2.gz FFDSUVXDHAPYAL-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO O=C(CC[N@@H+]1CCc2cn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000611008633 360599477 /nfs/dbraw/zinc/59/94/77/360599477.db2.gz FFDSUVXDHAPYAL-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO O=C(CC[N@H+]1CCc2cn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000611008633 360599482 /nfs/dbraw/zinc/59/94/82/360599482.db2.gz FFDSUVXDHAPYAL-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165853 360643238 /nfs/dbraw/zinc/64/32/38/360643238.db2.gz AQTZWTSGRNHIHF-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611087904 360618737 /nfs/dbraw/zinc/61/87/37/360618737.db2.gz QSJOUHINQBFGPK-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000611087904 360618739 /nfs/dbraw/zinc/61/87/39/360618739.db2.gz QSJOUHINQBFGPK-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092458 360621752 /nfs/dbraw/zinc/62/17/52/360621752.db2.gz UQRMQOSOMUEWKW-NSHDSACASA-N 1 1 306.366 1.220 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281261211 216192604 /nfs/dbraw/zinc/19/26/04/216192604.db2.gz HLVRAWMJSUPDOO-YPMHNXCESA-N 1 1 321.333 1.534 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281261211 216192608 /nfs/dbraw/zinc/19/26/08/216192608.db2.gz HLVRAWMJSUPDOO-YPMHNXCESA-N 1 1 321.333 1.534 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000611268274 360683899 /nfs/dbraw/zinc/68/38/99/360683899.db2.gz IXBHJWJURXARLK-LLVKDONJSA-N 1 1 308.334 1.977 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000611268274 360683902 /nfs/dbraw/zinc/68/39/02/360683902.db2.gz IXBHJWJURXARLK-LLVKDONJSA-N 1 1 308.334 1.977 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1C ZINC000611515355 360742678 /nfs/dbraw/zinc/74/26/78/360742678.db2.gz ORPTWDJLKVCEOV-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H]1C ZINC000611515355 360742679 /nfs/dbraw/zinc/74/26/79/360742679.db2.gz ORPTWDJLKVCEOV-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000619578935 364070936 /nfs/dbraw/zinc/07/09/36/364070936.db2.gz UZDOEUORQHKZIL-LBPRGKRZSA-N 1 1 306.366 1.855 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000275240551 212218524 /nfs/dbraw/zinc/21/85/24/212218524.db2.gz OCPLALKHJIXQTF-UHFFFAOYSA-N 1 1 318.377 1.992 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359287952 299397119 /nfs/dbraw/zinc/39/71/19/299397119.db2.gz JVXKRUHWHBXTHV-CYBMUJFWSA-N 1 1 321.377 1.364 20 5 DDBDMO Cc1nn(C)cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534235 193266085 /nfs/dbraw/zinc/26/60/85/193266085.db2.gz BLVZKPAZVVMCHV-ZDUSSCGKSA-N 1 1 316.365 1.718 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000264633050 204041605 /nfs/dbraw/zinc/04/16/05/204041605.db2.gz OIJHSSFBYWOJDS-UHFFFAOYSA-N 1 1 310.329 1.484 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000264591767 204015816 /nfs/dbraw/zinc/01/58/16/204015816.db2.gz WENAZKIYCPOVTB-LBPRGKRZSA-N 1 1 307.350 1.354 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288473198 220164885 /nfs/dbraw/zinc/16/48/85/220164885.db2.gz QNIACTBUTYEIDS-KOLCDFICSA-N 1 1 307.354 1.325 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000267998223 206385090 /nfs/dbraw/zinc/38/50/90/206385090.db2.gz ULCWXUVLZJZGPS-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO Cn1nccc1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338546992 250025569 /nfs/dbraw/zinc/02/55/69/250025569.db2.gz PXUKNRUXCKGBFZ-GFCCVEGCSA-N 1 1 316.365 1.452 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000273776324 211049722 /nfs/dbraw/zinc/04/97/22/211049722.db2.gz RYEJNGPNGQYXTG-CQSZACIVSA-N 1 1 318.377 1.939 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC000273776324 211049727 /nfs/dbraw/zinc/04/97/27/211049727.db2.gz RYEJNGPNGQYXTG-CQSZACIVSA-N 1 1 318.377 1.939 20 5 DDBDMO Cc1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000106399139 194207031 /nfs/dbraw/zinc/20/70/31/194207031.db2.gz YUVKBZRXDDEFDI-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)[C@H]2CCCO2)c(F)c1 ZINC000352403962 285027894 /nfs/dbraw/zinc/02/78/94/285027894.db2.gz ZVWOFLRGOOESDQ-CHWSQXEVSA-N 1 1 302.277 1.503 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425069416 533134647 /nfs/dbraw/zinc/13/46/47/533134647.db2.gz VBVIGHCVOGLDOP-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000352670847 285213763 /nfs/dbraw/zinc/21/37/63/285213763.db2.gz GXGNJBGSUSHJKV-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)cn1 ZINC000413394217 224188686 /nfs/dbraw/zinc/18/86/86/224188686.db2.gz ASNRKFJKSGOIJJ-UHFFFAOYSA-N 1 1 322.365 1.283 20 5 DDBDMO COCCCOCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271603980 209051545 /nfs/dbraw/zinc/05/15/45/209051545.db2.gz UFINQDWZAMUVMJ-OAHLLOKOSA-N 1 1 312.366 1.613 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487168 221011847 /nfs/dbraw/zinc/01/18/47/221011847.db2.gz SGSYDSXLJWGPLF-MNOVXSKESA-N 1 1 317.349 1.947 20 5 DDBDMO C[N@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289605530 221097825 /nfs/dbraw/zinc/09/78/25/221097825.db2.gz KZHTUVXSYGPBAE-UHFFFAOYSA-N 1 1 303.265 1.503 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289605530 221097827 /nfs/dbraw/zinc/09/78/27/221097827.db2.gz KZHTUVXSYGPBAE-UHFFFAOYSA-N 1 1 303.265 1.503 20 5 DDBDMO COCCCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419385719 533252057 /nfs/dbraw/zinc/25/20/57/533252057.db2.gz LMIBHYBKDZSLIU-UHFFFAOYSA-N 1 1 321.377 1.842 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000451344410 533533583 /nfs/dbraw/zinc/53/35/83/533533583.db2.gz BCRRPGCWBZFMCH-UHFFFAOYSA-N 1 1 323.324 1.734 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000451344410 533533589 /nfs/dbraw/zinc/53/35/89/533533589.db2.gz BCRRPGCWBZFMCH-UHFFFAOYSA-N 1 1 323.324 1.734 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000299690374 533547380 /nfs/dbraw/zinc/54/73/80/533547380.db2.gz VWTLYVGPBKJMKC-CHWSQXEVSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000266555546 407558115 /nfs/dbraw/zinc/55/81/15/407558115.db2.gz VVLGYKRKLZBDPH-QWRGUYRKSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000266555546 407558117 /nfs/dbraw/zinc/55/81/17/407558117.db2.gz VVLGYKRKLZBDPH-QWRGUYRKSA-N 1 1 313.379 1.279 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000070714810 406823111 /nfs/dbraw/zinc/82/31/11/406823111.db2.gz YXNDBCWEJYMVLL-UHFFFAOYSA-N 1 1 306.366 1.439 20 5 DDBDMO Cc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000071899144 406864473 /nfs/dbraw/zinc/86/44/73/406864473.db2.gz KJTUIHUFAJOZSX-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO Cc1nn(C)c(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000072015989 406871655 /nfs/dbraw/zinc/87/16/55/406871655.db2.gz JZJMTHJYKCSJQU-CYBMUJFWSA-N 1 1 324.429 1.321 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOCC3CC3)C2)nc1 ZINC000072665241 406884437 /nfs/dbraw/zinc/88/44/37/406884437.db2.gz IJPCRYODZKALBM-ZDUSSCGKSA-N 1 1 306.366 1.903 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000073990392 406898612 /nfs/dbraw/zinc/89/86/12/406898612.db2.gz WJWHLVXSVZEPID-DZGCQCFKSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCO1 ZINC000124309995 407354101 /nfs/dbraw/zinc/35/41/01/407354101.db2.gz XUIWTGHLUBDZMQ-NSHDSACASA-N 1 1 323.349 1.513 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000103284352 407335663 /nfs/dbraw/zinc/33/56/63/407335663.db2.gz CYMNYYJODXLQQZ-JQWIXIFHSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000124497306 407360351 /nfs/dbraw/zinc/36/03/51/407360351.db2.gz ANOYWGXQRWWUGK-TZMCWYRMSA-N 1 1 321.377 1.915 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000108783243 407390344 /nfs/dbraw/zinc/39/03/44/407390344.db2.gz VIIXPIBSCVRFOU-GFCCVEGCSA-N 1 1 318.377 1.607 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706273 407482068 /nfs/dbraw/zinc/48/20/68/407482068.db2.gz MLBHCVWKULZFMP-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706273 407482072 /nfs/dbraw/zinc/48/20/72/407482072.db2.gz MLBHCVWKULZFMP-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706273 407482074 /nfs/dbraw/zinc/48/20/74/407482074.db2.gz MLBHCVWKULZFMP-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706273 407482081 /nfs/dbraw/zinc/48/20/81/407482081.db2.gz MLBHCVWKULZFMP-LLVKDONJSA-N 1 1 309.370 1.293 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000170912349 407552175 /nfs/dbraw/zinc/55/21/75/407552175.db2.gz WAQUFZKNRYJRHV-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000170912349 407552180 /nfs/dbraw/zinc/55/21/80/407552180.db2.gz WAQUFZKNRYJRHV-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000178757900 407586525 /nfs/dbraw/zinc/58/65/25/407586525.db2.gz MEWPYDQYFFDQGS-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171665965 407735620 /nfs/dbraw/zinc/73/56/20/407735620.db2.gz ARXZETMKNIRIDY-LLVKDONJSA-N 1 1 321.381 1.581 20 5 DDBDMO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000267168585 407775096 /nfs/dbraw/zinc/77/50/96/407775096.db2.gz ACNJRGXWGMOMCJ-ZDUSSCGKSA-N 1 1 313.741 1.643 20 5 DDBDMO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000267168585 407775102 /nfs/dbraw/zinc/77/51/02/407775102.db2.gz ACNJRGXWGMOMCJ-ZDUSSCGKSA-N 1 1 313.741 1.643 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000189431051 408014062 /nfs/dbraw/zinc/01/40/62/408014062.db2.gz HBKFPJNVPUCTFB-AWEZNQCLSA-N 1 1 321.421 1.914 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000182259747 408111006 /nfs/dbraw/zinc/11/10/06/408111006.db2.gz RLDNYIMREMTOMM-VXGBXAGGSA-N 1 1 312.391 1.772 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000121206046 408161693 /nfs/dbraw/zinc/16/16/93/408161693.db2.gz LMOXTLVGWZTGPC-IINYFYTJSA-N 1 1 306.366 1.710 20 5 DDBDMO CCOCC[N@@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346901 408164018 /nfs/dbraw/zinc/16/40/18/408164018.db2.gz OROZCSRQEZFXAE-ZDUSSCGKSA-N 1 1 312.366 1.693 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000263761504 408243629 /nfs/dbraw/zinc/24/36/29/408243629.db2.gz USLDQLRHTSYWEL-ZDUSSCGKSA-N 1 1 321.381 1.344 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000263666838 408197615 /nfs/dbraw/zinc/19/76/15/408197615.db2.gz LCJKLHUCUXTDBR-WDEREUQCSA-N 1 1 323.397 1.731 20 5 DDBDMO CSCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151155775 408265388 /nfs/dbraw/zinc/26/53/88/408265388.db2.gz VGJZMZOSDGGPAH-GFCCVEGCSA-N 1 1 300.380 1.629 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190401685 408236219 /nfs/dbraw/zinc/23/62/19/408236219.db2.gz SKIBTXCYIIUYPB-SMDDNHRTSA-N 1 1 310.350 1.685 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157425434 408303863 /nfs/dbraw/zinc/30/38/63/408303863.db2.gz JCJWWMZMKKWBKJ-NSHDSACASA-N 1 1 316.361 1.687 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421238 408529540 /nfs/dbraw/zinc/52/95/40/408529540.db2.gz GDVVUGMASBDFLJ-GWCFXTLKSA-N 1 1 307.350 1.429 20 5 DDBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000264387793 408471056 /nfs/dbraw/zinc/47/10/56/408471056.db2.gz JZGVFCYTJFYWDT-JTQLQIEISA-N 1 1 320.353 1.179 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000270552176 408575077 /nfs/dbraw/zinc/57/50/77/408575077.db2.gz RNSIAOOMTBGXBP-UHFFFAOYSA-N 1 1 318.377 1.627 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177133867 408532620 /nfs/dbraw/zinc/53/26/20/408532620.db2.gz FNIMYLZJIQDGDJ-NEPJUHHUSA-N 1 1 319.361 1.715 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])[nH+]c1 ZINC000161777143 408637684 /nfs/dbraw/zinc/63/76/84/408637684.db2.gz XGLDBXYDSUILBW-UHFFFAOYSA-N 1 1 304.310 1.253 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000177797062 408714940 /nfs/dbraw/zinc/71/49/40/408714940.db2.gz HUIRMFBMVDMKAH-OLZOCXBDSA-N 1 1 321.381 1.267 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249542584 408738387 /nfs/dbraw/zinc/73/83/87/408738387.db2.gz FJBBQDJVHUNRMA-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249536713 408739164 /nfs/dbraw/zinc/73/91/64/408739164.db2.gz CQJOBKLCANJOJP-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265553100 408691178 /nfs/dbraw/zinc/69/11/78/408691178.db2.gz YYVYQUGVPDQCMG-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000250243000 408777017 /nfs/dbraw/zinc/77/70/17/408777017.db2.gz UJBDVVJBXVMRNI-VXGBXAGGSA-N 1 1 323.397 1.336 20 5 DDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+](C2CCC2)C1 ZINC000291621532 408896781 /nfs/dbraw/zinc/89/67/81/408896781.db2.gz ATSSNMXPUGGIIT-SNVBAGLBSA-N 1 1 306.370 1.278 20 5 DDBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286086488 408921466 /nfs/dbraw/zinc/92/14/66/408921466.db2.gz SQFNFZUMEKGCMO-LLVKDONJSA-N 1 1 323.397 1.948 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCN(CC)CC1 ZINC000192494599 163225283 /nfs/dbraw/zinc/22/52/83/163225283.db2.gz CLSRSLYIHXHYLV-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277570284 408968092 /nfs/dbraw/zinc/96/80/92/408968092.db2.gz ZTERFYPKXJKZHP-NSHDSACASA-N 1 1 319.365 1.518 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292126284 408985657 /nfs/dbraw/zinc/98/56/57/408985657.db2.gz GXCNGAITXYUACP-INIZCTEOSA-N 1 1 303.362 1.692 20 5 DDBDMO CC[N@@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000278109262 409067051 /nfs/dbraw/zinc/06/70/51/409067051.db2.gz KWFMKIAKFROFMQ-UHFFFAOYSA-N 1 1 317.349 1.572 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000293108290 409052190 /nfs/dbraw/zinc/05/21/90/409052190.db2.gz LMXOEIYLTPMOSU-OAHLLOKOSA-N 1 1 321.377 1.941 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)CO ZINC000293532176 409132826 /nfs/dbraw/zinc/13/28/26/409132826.db2.gz XDUWAXZOVHTFBD-JTQLQIEISA-N 1 1 313.329 1.765 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293348115 409095041 /nfs/dbraw/zinc/09/50/41/409095041.db2.gz JVKUNBLDPVIUAQ-SKDRFNHKSA-N 1 1 315.333 1.295 20 5 DDBDMO CN(C)C(=O)CC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287970117 409124608 /nfs/dbraw/zinc/12/46/08/409124608.db2.gz UFFIEPXPFPVBGF-UHFFFAOYSA-N 1 1 324.356 1.334 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000330708697 287015305 /nfs/dbraw/zinc/01/53/05/287015305.db2.gz RJMVAUKRVUADNR-GFCCVEGCSA-N 1 1 306.366 1.019 20 5 DDBDMO Cc1ccnc(N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000289149299 409225032 /nfs/dbraw/zinc/22/50/32/409225032.db2.gz STVHFLXSGIXGFG-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1ccnc(N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000289149299 409225035 /nfs/dbraw/zinc/22/50/35/409225035.db2.gz STVHFLXSGIXGFG-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO C[NH+](C)CCn1nccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000294274749 409271479 /nfs/dbraw/zinc/27/14/79/409271479.db2.gz ZJCGNASIICPSGC-UHFFFAOYSA-N 1 1 319.321 1.311 20 5 DDBDMO C[C@@H](CO)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000280606610 409377595 /nfs/dbraw/zinc/37/75/95/409377595.db2.gz VOJRYVKWANPIQF-NSHDSACASA-N 1 1 321.377 1.677 20 5 DDBDMO Cc1cccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285350936 409412290 /nfs/dbraw/zinc/41/22/90/409412290.db2.gz ULYQQCFHADZPFB-KBPBESRZSA-N 1 1 319.361 1.448 20 5 DDBDMO CN1CC[NH+](CCNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000322114907 164045921 /nfs/dbraw/zinc/04/59/21/164045921.db2.gz PTQRKLMKXNTAKO-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000321888214 164046117 /nfs/dbraw/zinc/04/61/17/164046117.db2.gz RMGHKINCVIRRAP-VXGBXAGGSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347020518 164098375 /nfs/dbraw/zinc/09/83/75/164098375.db2.gz YFTMKMDPPYOKSK-ZDUSSCGKSA-N 1 1 321.381 1.185 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295435893 409480524 /nfs/dbraw/zinc/48/05/24/409480524.db2.gz VGXOQQZNLRBISC-LLVKDONJSA-N 1 1 319.361 1.857 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295435893 409480528 /nfs/dbraw/zinc/48/05/28/409480528.db2.gz VGXOQQZNLRBISC-LLVKDONJSA-N 1 1 319.361 1.857 20 5 DDBDMO Cn1c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000408223892 164266575 /nfs/dbraw/zinc/26/65/75/164266575.db2.gz VKNGQNUOKRTHLH-UHFFFAOYSA-N 1 1 306.366 1.634 20 5 DDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356802289 409620153 /nfs/dbraw/zinc/62/01/53/409620153.db2.gz JRLSSQVAZOVEDU-LBPRGKRZSA-N 1 1 305.334 1.609 20 5 DDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000356802289 409620159 /nfs/dbraw/zinc/62/01/59/409620159.db2.gz JRLSSQVAZOVEDU-LBPRGKRZSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452887 409640898 /nfs/dbraw/zinc/64/08/98/409640898.db2.gz QPLOYVQMBSLFLY-YPMHNXCESA-N 1 1 319.361 1.573 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356903495 409707343 /nfs/dbraw/zinc/70/73/43/409707343.db2.gz PRLJFEMSRQTCBL-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000356834983 409645365 /nfs/dbraw/zinc/64/53/65/409645365.db2.gz BYWYKLKPYZOIHW-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000356834983 409645369 /nfs/dbraw/zinc/64/53/69/409645369.db2.gz BYWYKLKPYZOIHW-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591927 409672703 /nfs/dbraw/zinc/67/27/03/409672703.db2.gz XZBUEQYHXSLZJN-QWRGUYRKSA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000357029288 409808059 /nfs/dbraw/zinc/80/80/59/409808059.db2.gz CSFDTOJKCUYDAP-OLZOCXBDSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354485083 409889785 /nfs/dbraw/zinc/88/97/85/409889785.db2.gz BOVCAQAXZQHVFS-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354485083 409889789 /nfs/dbraw/zinc/88/97/89/409889789.db2.gz BOVCAQAXZQHVFS-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332250898 410015176 /nfs/dbraw/zinc/01/51/76/410015176.db2.gz RFKGCWRACCZWPO-JTQLQIEISA-N 1 1 317.349 1.429 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332250898 410015181 /nfs/dbraw/zinc/01/51/81/410015181.db2.gz RFKGCWRACCZWPO-JTQLQIEISA-N 1 1 317.349 1.429 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687668 410082919 /nfs/dbraw/zinc/08/29/19/410082919.db2.gz MIAQHRZRLVQGLS-HUBLWGQQSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687668 410082928 /nfs/dbraw/zinc/08/29/28/410082928.db2.gz MIAQHRZRLVQGLS-HUBLWGQQSA-N 1 1 319.361 1.689 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000346997048 410299586 /nfs/dbraw/zinc/29/95/86/410299586.db2.gz CBNQOEATZXNIOC-JQWIXIFHSA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790186 410400243 /nfs/dbraw/zinc/40/02/43/410400243.db2.gz JMXYLJIUKWVAQU-GHMZBOCLSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790186 410400251 /nfs/dbraw/zinc/40/02/51/410400251.db2.gz JMXYLJIUKWVAQU-GHMZBOCLSA-N 1 1 321.333 1.417 20 5 DDBDMO Cn1c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000347319729 410467596 /nfs/dbraw/zinc/46/75/96/410467596.db2.gz OKCOCRYHROZTGE-GFCCVEGCSA-N 1 1 306.366 1.680 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000355373635 410476330 /nfs/dbraw/zinc/47/63/30/410476330.db2.gz ULJOLMVAHWISJQ-GJZGRUSLSA-N 1 1 319.361 1.530 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347358663 410494165 /nfs/dbraw/zinc/49/41/65/410494165.db2.gz LHFYVTZGTRSOBY-QLWBUIJQSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347358663 410494169 /nfs/dbraw/zinc/49/41/69/410494169.db2.gz LHFYVTZGTRSOBY-QLWBUIJQSA-N 1 1 319.361 1.573 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339953013 410572753 /nfs/dbraw/zinc/57/27/53/410572753.db2.gz MQVOTKDXQMPIBH-NEPJUHHUSA-N 1 1 318.377 1.993 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352213154 410550430 /nfs/dbraw/zinc/55/04/30/410550430.db2.gz UAQCPEISNQUYMV-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352213154 410550436 /nfs/dbraw/zinc/55/04/36/410550436.db2.gz UAQCPEISNQUYMV-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337310861 410708903 /nfs/dbraw/zinc/70/89/03/410708903.db2.gz BOQVATCONKFUIF-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000337310861 410708907 /nfs/dbraw/zinc/70/89/07/410708907.db2.gz BOQVATCONKFUIF-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000337310861 410708913 /nfs/dbraw/zinc/70/89/13/410708913.db2.gz BOQVATCONKFUIF-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340207726 410754722 /nfs/dbraw/zinc/75/47/22/410754722.db2.gz YXGUXKLVGJFNPS-MNOVXSKESA-N 1 1 322.287 1.569 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000340207726 410754729 /nfs/dbraw/zinc/75/47/29/410754729.db2.gz YXGUXKLVGJFNPS-MNOVXSKESA-N 1 1 322.287 1.569 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565221 410782512 /nfs/dbraw/zinc/78/25/12/410782512.db2.gz ACZKFZRTZIDVSU-CHWSQXEVSA-N 1 1 320.393 1.582 20 5 DDBDMO CC[N@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337453629 410795688 /nfs/dbraw/zinc/79/56/88/410795688.db2.gz VFRLZPRVNSUEQK-UHFFFAOYSA-N 1 1 308.338 1.302 20 5 DDBDMO CC[N@@H+](CCOCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337453629 410795693 /nfs/dbraw/zinc/79/56/93/410795693.db2.gz VFRLZPRVNSUEQK-UHFFFAOYSA-N 1 1 308.338 1.302 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCC[C@@H](C)C1 ZINC000330586045 410802443 /nfs/dbraw/zinc/80/24/43/410802443.db2.gz SIRJJKNKNLOYKY-VXGBXAGGSA-N 1 1 308.382 1.784 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000359810581 410894412 /nfs/dbraw/zinc/89/44/12/410894412.db2.gz RUBQYWQEKKJCKN-JTQLQIEISA-N 1 1 311.386 1.487 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(CC[NH+](C)C)C2CC2)c1[N+](=O)[O-] ZINC000356293084 410948952 /nfs/dbraw/zinc/94/89/52/410948952.db2.gz HFAWHDGEQMWZHL-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCC1 ZINC000353467879 411005510 /nfs/dbraw/zinc/00/55/10/411005510.db2.gz NFCNGFORNMYMHA-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000353544636 411056236 /nfs/dbraw/zinc/05/62/36/411056236.db2.gz PEOXFAKORLHATL-UHFFFAOYSA-N 1 1 321.381 1.875 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201529 411015392 /nfs/dbraw/zinc/01/53/92/411015392.db2.gz QJKPRYYDDORZGF-CHWSQXEVSA-N 1 1 321.377 1.881 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353667898 411103805 /nfs/dbraw/zinc/10/38/05/411103805.db2.gz WASPELRIADEQTK-FJDWXNHUSA-N 1 1 301.346 1.961 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360221013 411104735 /nfs/dbraw/zinc/10/47/35/411104735.db2.gz CKHJPGCUOBCYFM-KFWWJZLASA-N 1 1 309.410 1.766 20 5 DDBDMO CNc1nccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000519180178 416896916 /nfs/dbraw/zinc/89/69/16/416896916.db2.gz KNASUCLAZKLQPH-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000360651163 418484515 /nfs/dbraw/zinc/48/45/15/418484515.db2.gz FWWZAXQQUKBHDW-GHMZBOCLSA-N 1 1 313.379 1.356 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374139251 418494153 /nfs/dbraw/zinc/49/41/53/418494153.db2.gz ABKDLWAHKNDYTF-WCQYABFASA-N 1 1 306.322 1.235 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000374821519 418566272 /nfs/dbraw/zinc/56/62/72/418566272.db2.gz FRFKWPNRJQVBRI-SNVBAGLBSA-N 1 1 322.340 1.626 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000374821241 418566871 /nfs/dbraw/zinc/56/68/71/418566871.db2.gz DYRXLKABHMWOTP-YMTOWFKASA-N 1 1 322.340 1.482 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000191772475 222109022 /nfs/dbraw/zinc/10/90/22/222109022.db2.gz QSCYALNLGWISIQ-RYUDHWBXSA-N 1 1 323.397 1.661 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])CC[N@H+]1CCCOCC1 ZINC000361379595 418640863 /nfs/dbraw/zinc/64/08/63/418640863.db2.gz VRVOCTBPUOQFMT-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCCOCC1 ZINC000361379595 418640865 /nfs/dbraw/zinc/64/08/65/418640865.db2.gz VRVOCTBPUOQFMT-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCCOCC1 ZINC000361379595 418640868 /nfs/dbraw/zinc/64/08/68/418640868.db2.gz VRVOCTBPUOQFMT-UHFFFAOYSA-N 1 1 307.394 1.791 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000361385456 418641612 /nfs/dbraw/zinc/64/16/12/418641612.db2.gz QCEJCVUXWNBXSE-GFCCVEGCSA-N 1 1 321.333 1.614 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000362057538 418746004 /nfs/dbraw/zinc/74/60/04/418746004.db2.gz LEZLKVIGXIMEKZ-GFCCVEGCSA-N 1 1 306.366 1.917 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000420975361 419397708 /nfs/dbraw/zinc/39/77/08/419397708.db2.gz QMFJVIDPGRGLCJ-UHFFFAOYSA-N 1 1 313.379 1.215 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000420983401 419411811 /nfs/dbraw/zinc/41/18/11/419411811.db2.gz ZJKYAIIYGUOWRL-SECBINFHSA-N 1 1 311.313 1.310 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000420983401 419411822 /nfs/dbraw/zinc/41/18/22/419411822.db2.gz ZJKYAIIYGUOWRL-SECBINFHSA-N 1 1 311.313 1.310 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943351 419374693 /nfs/dbraw/zinc/37/46/93/419374693.db2.gz PSSHVQSGBFTFFP-QWHCGFSZSA-N 1 1 321.377 1.874 20 5 DDBDMO C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000426481026 419483598 /nfs/dbraw/zinc/48/35/98/419483598.db2.gz DKKVTVPHBPZAMK-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000420998105 419435243 /nfs/dbraw/zinc/43/52/43/419435243.db2.gz HWFKNEPOUXGRKW-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044266 419590177 /nfs/dbraw/zinc/59/01/77/419590177.db2.gz WOWDKWGVMPHBNU-QJPTWQEYSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044266 419590182 /nfs/dbraw/zinc/59/01/82/419590182.db2.gz WOWDKWGVMPHBNU-QJPTWQEYSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1nn(CCC(=O)N(C)C[C@H]2CCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000421705516 419685872 /nfs/dbraw/zinc/68/58/72/419685872.db2.gz RMSZUXAVNIRYFN-CYBMUJFWSA-N 1 1 323.397 1.351 20 5 DDBDMO COC(=O)[C@@H]1CSCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412092349 419648653 /nfs/dbraw/zinc/64/86/53/419648653.db2.gz ZISQZDVNKYPDQU-ZDUSSCGKSA-N 1 1 324.402 1.975 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421767824 419717819 /nfs/dbraw/zinc/71/78/19/419717819.db2.gz MEMZHEUUMDZHHM-ZDUSSCGKSA-N 1 1 321.377 1.662 20 5 DDBDMO CC[C@@H]1CN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000428067471 419807320 /nfs/dbraw/zinc/80/73/20/419807320.db2.gz ALYYJSITRBKDPY-CQSZACIVSA-N 1 1 323.349 1.141 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000430229497 420092912 /nfs/dbraw/zinc/09/29/12/420092912.db2.gz VVZCUJJQRPHDSV-AWEZNQCLSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000430229497 420092915 /nfs/dbraw/zinc/09/29/15/420092915.db2.gz VVZCUJJQRPHDSV-AWEZNQCLSA-N 1 1 319.361 1.800 20 5 DDBDMO C[C@@H](CN)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430924949 420208493 /nfs/dbraw/zinc/20/84/93/420208493.db2.gz BWDVLAHQOSJQBL-JTQLQIEISA-N 1 1 308.338 1.172 20 5 DDBDMO C[C@@H](CN)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430924949 420208497 /nfs/dbraw/zinc/20/84/97/420208497.db2.gz BWDVLAHQOSJQBL-JTQLQIEISA-N 1 1 308.338 1.172 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420605195 420329748 /nfs/dbraw/zinc/32/97/48/420329748.db2.gz UMFFEFUMEFPUFM-UHFFFAOYSA-N 1 1 303.322 1.701 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444697968 230122960 /nfs/dbraw/zinc/12/29/60/230122960.db2.gz RIFCAGAKKRDMMC-GXSJLCMTSA-N 1 1 322.287 1.427 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000439132598 420481570 /nfs/dbraw/zinc/48/15/70/420481570.db2.gz XSPFXQXKYSYASH-UHFFFAOYSA-N 1 1 303.326 1.313 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457069530 420601810 /nfs/dbraw/zinc/60/18/10/420601810.db2.gz GBACKRFJZSWNCQ-UHFFFAOYSA-N 1 1 309.370 1.090 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450959495 420571302 /nfs/dbraw/zinc/57/13/02/420571302.db2.gz YMYPIELANMSHOV-NSHDSACASA-N 1 1 307.350 1.300 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450959495 420571308 /nfs/dbraw/zinc/57/13/08/420571308.db2.gz YMYPIELANMSHOV-NSHDSACASA-N 1 1 307.350 1.300 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000457101600 420612606 /nfs/dbraw/zinc/61/26/06/420612606.db2.gz YPGLFIASEWDSHD-LLVKDONJSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000457101600 420612612 /nfs/dbraw/zinc/61/26/12/420612612.db2.gz YPGLFIASEWDSHD-LLVKDONJSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000449134359 420957237 /nfs/dbraw/zinc/95/72/37/420957237.db2.gz IRBNDVKSUJVSBH-CABCVRRESA-N 1 1 320.437 1.751 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489924024 421180685 /nfs/dbraw/zinc/18/06/85/421180685.db2.gz KWFVDIMHRCYMPL-NSHDSACASA-N 1 1 315.333 1.578 20 5 DDBDMO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000450456062 421199787 /nfs/dbraw/zinc/19/97/87/421199787.db2.gz WPMOPDQFDQLNJQ-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000548692862 421463764 /nfs/dbraw/zinc/46/37/64/421463764.db2.gz LKSAQIGJQZEBGD-ZDUSSCGKSA-N 1 1 322.409 1.888 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558764587 421825021 /nfs/dbraw/zinc/82/50/21/421825021.db2.gz HMHBATUQMGNQQK-LLVKDONJSA-N 1 1 309.370 1.416 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000542778312 421829289 /nfs/dbraw/zinc/82/92/89/421829289.db2.gz KUWDZIAQYYHDGQ-HIFRSBDPSA-N 1 1 318.377 1.830 20 5 DDBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2n1CCCCC2 ZINC000595434376 422356506 /nfs/dbraw/zinc/35/65/06/422356506.db2.gz VBWDIYKKNUWURF-LLVKDONJSA-N 1 1 319.369 1.460 20 5 DDBDMO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000577294239 422383898 /nfs/dbraw/zinc/38/38/98/422383898.db2.gz MGMOGRLPXSVXFO-MNOVXSKESA-N 1 1 321.381 1.565 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597605244 422388687 /nfs/dbraw/zinc/38/86/87/422388687.db2.gz OTQWARRXCOUBTG-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597922620 422392482 /nfs/dbraw/zinc/39/24/82/422392482.db2.gz JKTMMTUJDMYVLH-VIFPVBQESA-N 1 1 307.354 1.175 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000342074447 271291208 /nfs/dbraw/zinc/29/12/08/271291208.db2.gz XEZPBTHPHPACLH-CQSZACIVSA-N 1 1 321.377 1.821 20 5 DDBDMO C[C@@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000342119362 271304648 /nfs/dbraw/zinc/30/46/48/271304648.db2.gz UYAAFNDLDZEDOK-LBPRGKRZSA-N 1 1 317.349 1.340 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000342119362 271304652 /nfs/dbraw/zinc/30/46/52/271304652.db2.gz UYAAFNDLDZEDOK-LBPRGKRZSA-N 1 1 317.349 1.340 20 5 DDBDMO Cn1cc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)cn1 ZINC000342314807 271372756 /nfs/dbraw/zinc/37/27/56/271372756.db2.gz ZVSGAAYRZXSKFV-GFCCVEGCSA-N 1 1 306.370 1.939 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000343997911 271928709 /nfs/dbraw/zinc/92/87/09/271928709.db2.gz YDNUFDCETJTWJP-OAHLLOKOSA-N 1 1 310.350 1.729 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344593447 272066588 /nfs/dbraw/zinc/06/65/88/272066588.db2.gz CCUIQKISQUWMBO-LBPRGKRZSA-N 1 1 323.397 1.336 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000344704497 272095307 /nfs/dbraw/zinc/09/53/07/272095307.db2.gz ASXNNDIIBHMSTA-UHFFFAOYSA-N 1 1 315.333 1.216 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276597983 274538614 /nfs/dbraw/zinc/53/86/14/274538614.db2.gz KEWIEPNPZRIBAO-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CC1 ZINC000263702448 276130072 /nfs/dbraw/zinc/13/00/72/276130072.db2.gz IXSRPAYEYLVWFF-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000408026840 277129714 /nfs/dbraw/zinc/12/97/14/277129714.db2.gz JJAOSVJPLOKGTO-GJZGRUSLSA-N 1 1 318.377 1.472 20 5 DDBDMO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272738699 278330126 /nfs/dbraw/zinc/33/01/26/278330126.db2.gz CLEHEUDGEADIMX-SNVBAGLBSA-N 1 1 304.350 1.557 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000573566211 304601843 /nfs/dbraw/zinc/60/18/43/304601843.db2.gz ZJCFUUYAVFNERA-CQSZACIVSA-N 1 1 315.333 1.115 20 5 DDBDMO C[NH+](C)CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356870723 298896404 /nfs/dbraw/zinc/89/64/04/298896404.db2.gz VVJLWNIPFRDZMW-UHFFFAOYSA-N 1 1 302.128 1.857 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000364300809 300372329 /nfs/dbraw/zinc/37/23/29/300372329.db2.gz GURFOZRAFNSNMS-VHSXEESVSA-N 1 1 307.379 1.834 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000368590252 301060211 /nfs/dbraw/zinc/06/02/11/301060211.db2.gz KJKJCAFWGXTFHR-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000368967057 301112905 /nfs/dbraw/zinc/11/29/05/301112905.db2.gz UOUXEVPBLJWGPG-LBPRGKRZSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976268 301115467 /nfs/dbraw/zinc/11/54/67/301115467.db2.gz VGECAVZOBQBKCJ-GZBFAFLISA-N 1 1 303.362 1.989 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)O1 ZINC000369039599 301123491 /nfs/dbraw/zinc/12/34/91/301123491.db2.gz BLTRNTURLNIXKU-OAHLLOKOSA-N 1 1 321.333 1.548 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)O1 ZINC000369039599 301123493 /nfs/dbraw/zinc/12/34/93/301123493.db2.gz BLTRNTURLNIXKU-OAHLLOKOSA-N 1 1 321.333 1.548 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000369998242 301254562 /nfs/dbraw/zinc/25/45/62/301254562.db2.gz QRCPFOHZFWNPPX-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000369998242 301254564 /nfs/dbraw/zinc/25/45/64/301254564.db2.gz QRCPFOHZFWNPPX-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000369998242 301254567 /nfs/dbraw/zinc/25/45/67/301254567.db2.gz QRCPFOHZFWNPPX-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370092584 301274475 /nfs/dbraw/zinc/27/44/75/301274475.db2.gz ZGUVTBJZNJIKIT-UHFFFAOYSA-N 1 1 306.366 1.735 20 5 DDBDMO COc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000375845418 302003375 /nfs/dbraw/zinc/00/33/75/302003375.db2.gz GQMCKSGICPSARG-SNVBAGLBSA-N 1 1 311.313 1.263 20 5 DDBDMO COc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000375845418 302003378 /nfs/dbraw/zinc/00/33/78/302003378.db2.gz GQMCKSGICPSARG-SNVBAGLBSA-N 1 1 311.313 1.263 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530963067 303222815 /nfs/dbraw/zinc/22/28/15/303222815.db2.gz BJBIZILWCHPDFY-UKRRQHHQSA-N 1 1 317.349 1.384 20 5 DDBDMO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000541555371 303423249 /nfs/dbraw/zinc/42/32/49/303423249.db2.gz AWQGYUHTNHISHP-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173524179 304809880 /nfs/dbraw/zinc/80/98/80/304809880.db2.gz WMBFFISTBZMPNB-LBPRGKRZSA-N 1 1 323.374 1.230 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000369683107 307126597 /nfs/dbraw/zinc/12/65/97/307126597.db2.gz IXKOHSMTTVHZFX-MRXNPFEDSA-N 1 1 322.361 1.959 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1 ZINC000374092034 307203310 /nfs/dbraw/zinc/20/33/10/307203310.db2.gz HULCTILOPSUZKR-OKILXGFUSA-N 1 1 305.334 1.787 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000375431863 307226185 /nfs/dbraw/zinc/22/61/85/307226185.db2.gz TVWRURBDUHWQLQ-NSHDSACASA-N 1 1 318.337 1.541 20 5 DDBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268387 307242061 /nfs/dbraw/zinc/24/20/61/307242061.db2.gz VKHIKEGCHHZLGN-SMDDNHRTSA-N 1 1 308.338 1.066 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000376660569 307252256 /nfs/dbraw/zinc/25/22/56/307252256.db2.gz OWFXZHNSARVHPS-HNNXBMFYSA-N 1 1 321.377 1.363 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@H]21 ZINC000376662928 307252466 /nfs/dbraw/zinc/25/24/66/307252466.db2.gz DANQRIJTORCLAL-GXFFZTMASA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000567178776 308075117 /nfs/dbraw/zinc/07/51/17/308075117.db2.gz PSIHNVINLIDZSW-CYBMUJFWSA-N 1 1 305.378 1.938 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000576686349 308331950 /nfs/dbraw/zinc/33/19/50/308331950.db2.gz KZOPGTSBJZXLKC-ONGXEEELSA-N 1 1 307.354 1.024 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488801830 484219050 /nfs/dbraw/zinc/21/90/50/484219050.db2.gz NHVIXJIZBKDJLO-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000348325729 490749016 /nfs/dbraw/zinc/74/90/16/490749016.db2.gz RRHXOUIKNBLNMG-SECBINFHSA-N 1 1 303.322 1.278 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1csc([N+](=O)[O-])c1 ZINC000452348121 534573673 /nfs/dbraw/zinc/57/36/73/534573673.db2.gz KOINODGLXODLFB-NSHDSACASA-N 1 1 313.379 1.233 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331853619 534714254 /nfs/dbraw/zinc/71/42/54/534714254.db2.gz AYZHESOEYSHYHN-UHFFFAOYSA-N 1 1 303.322 1.905 20 5 DDBDMO CC(C)(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000444660259 526710596 /nfs/dbraw/zinc/71/05/96/526710596.db2.gz JDYQUPBZKXKWPW-GFCCVEGCSA-N 1 1 305.338 1.461 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC)C2)c1 ZINC000412880633 528612172 /nfs/dbraw/zinc/61/21/72/528612172.db2.gz RMMQGIFZQGCBDS-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000490289062 528723572 /nfs/dbraw/zinc/72/35/72/528723572.db2.gz FSYKPJDFVVCBPH-HNNXBMFYSA-N 1 1 305.378 1.936 20 5 DDBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000736537511 598352708 /nfs/dbraw/zinc/35/27/08/598352708.db2.gz VLSXCRSXXFZGMS-UHFFFAOYSA-N 1 1 319.369 1.917 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820877006 606706253 /nfs/dbraw/zinc/70/62/53/606706253.db2.gz XZXURUGLDJSLBQ-SECBINFHSA-N 1 1 320.357 1.312 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000746048412 700003452 /nfs/dbraw/zinc/00/34/52/700003452.db2.gz IGKZZFKJKHRDNU-GFCCVEGCSA-N 1 1 314.345 1.957 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000068240289 696369537 /nfs/dbraw/zinc/36/95/37/696369537.db2.gz SIPXSWBINHADOB-UHFFFAOYSA-N 1 1 320.393 1.829 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000981764144 696907390 /nfs/dbraw/zinc/90/73/90/696907390.db2.gz OHEJRPVULRNBPQ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000981764144 696907393 /nfs/dbraw/zinc/90/73/93/696907393.db2.gz OHEJRPVULRNBPQ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000981764144 696907396 /nfs/dbraw/zinc/90/73/96/696907396.db2.gz OHEJRPVULRNBPQ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655804 697286957 /nfs/dbraw/zinc/28/69/57/697286957.db2.gz VOJWNYYIVSIQKF-KBUPBQIOSA-N 1 1 307.394 1.636 20 5 DDBDMO CC(=O)N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274408 698090563 /nfs/dbraw/zinc/09/05/63/698090563.db2.gz HLCLUBNEKIOESZ-HNNXBMFYSA-N 1 1 307.350 1.182 20 5 DDBDMO CC(=O)N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274408 698090569 /nfs/dbraw/zinc/09/05/69/698090569.db2.gz HLCLUBNEKIOESZ-HNNXBMFYSA-N 1 1 307.350 1.182 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000776591753 698123595 /nfs/dbraw/zinc/12/35/95/698123595.db2.gz WMRATURRMVCFQH-SQWLQELKSA-N 1 1 306.362 1.987 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000778840940 698375620 /nfs/dbraw/zinc/37/56/20/698375620.db2.gz SESPBJMITLIKBM-UHFFFAOYSA-N 1 1 307.310 1.470 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000800846288 700248547 /nfs/dbraw/zinc/24/85/47/700248547.db2.gz IJYOIZNFDKYDRM-ZDUSSCGKSA-N 1 1 306.366 1.478 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CCCOCC2)c1 ZINC000782418722 698723507 /nfs/dbraw/zinc/72/35/07/698723507.db2.gz WLWYHOVSNZXWDJ-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c(C)c1[N+](=O)[O-] ZINC000800860787 700250392 /nfs/dbraw/zinc/25/03/92/700250392.db2.gz XYMZECUPRUYYTJ-ZDUSSCGKSA-N 1 1 318.381 1.979 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c(C)c1[N+](=O)[O-] ZINC000800860787 700250394 /nfs/dbraw/zinc/25/03/94/700250394.db2.gz XYMZECUPRUYYTJ-ZDUSSCGKSA-N 1 1 318.381 1.979 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000786922548 699180134 /nfs/dbraw/zinc/18/01/34/699180134.db2.gz ISHQUXRFQVNLHJ-LLVKDONJSA-N 1 1 304.350 1.391 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](C2OCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000719037219 699298021 /nfs/dbraw/zinc/29/80/21/699298021.db2.gz WQTPSDRRLPUGEL-NSHDSACASA-N 1 1 321.333 1.228 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](C2OCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000719037219 699298022 /nfs/dbraw/zinc/29/80/22/699298022.db2.gz WQTPSDRRLPUGEL-NSHDSACASA-N 1 1 321.333 1.228 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000789518343 699392588 /nfs/dbraw/zinc/39/25/88/699392588.db2.gz FQSXYDSVNYOCGP-GFCCVEGCSA-N 1 1 309.370 1.438 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000789518343 699392591 /nfs/dbraw/zinc/39/25/91/699392591.db2.gz FQSXYDSVNYOCGP-GFCCVEGCSA-N 1 1 309.370 1.438 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3COCCO3)CC2)cc1 ZINC000733302524 699587940 /nfs/dbraw/zinc/58/79/40/699587940.db2.gz YYYMRZVQQZYVFW-HNNXBMFYSA-N 1 1 307.350 1.132 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000735833005 699705033 /nfs/dbraw/zinc/70/50/33/699705033.db2.gz VGIVAQMYVUEAEI-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000744408551 699948178 /nfs/dbraw/zinc/94/81/78/699948178.db2.gz XJUISDGSRFKZSS-UHFFFAOYSA-N 1 1 319.321 1.445 20 5 DDBDMO CO[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000751947509 700329112 /nfs/dbraw/zinc/32/91/12/700329112.db2.gz QQFMDHUPQHOHKL-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000751947509 700329116 /nfs/dbraw/zinc/32/91/16/700329116.db2.gz QQFMDHUPQHOHKL-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000761068762 700838239 /nfs/dbraw/zinc/83/82/39/700838239.db2.gz JKEYCIQWFNGFHZ-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000764280318 700965964 /nfs/dbraw/zinc/96/59/64/700965964.db2.gz UGLDXNGHYRHUFY-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000764280318 700965965 /nfs/dbraw/zinc/96/59/65/700965965.db2.gz UGLDXNGHYRHUFY-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804442358 701190596 /nfs/dbraw/zinc/19/05/96/701190596.db2.gz VOSTUYPDQLAFDV-SNVBAGLBSA-N 1 1 310.310 1.636 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000769220543 701237311 /nfs/dbraw/zinc/23/73/11/701237311.db2.gz MCERGUOIDGXQHK-GJZGRUSLSA-N 1 1 308.334 1.120 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000769220543 701237312 /nfs/dbraw/zinc/23/73/12/701237312.db2.gz MCERGUOIDGXQHK-GJZGRUSLSA-N 1 1 308.334 1.120 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000840358465 702082793 /nfs/dbraw/zinc/08/27/93/702082793.db2.gz NYXOCUCVXFQJGB-UHFFFAOYSA-N 1 1 323.393 1.687 20 5 DDBDMO CC(C)[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000879601136 706733958 /nfs/dbraw/zinc/73/39/58/706733958.db2.gz JXZNRKNEBDPHJX-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848353160 703542248 /nfs/dbraw/zinc/54/22/48/703542248.db2.gz YIITWRMBONOIPY-OLZOCXBDSA-N 1 1 319.365 1.319 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000852297126 704000144 /nfs/dbraw/zinc/00/01/44/704000144.db2.gz FESLKWLKHLKYJP-HNNXBMFYSA-N 1 1 317.345 1.498 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000852432208 704044852 /nfs/dbraw/zinc/04/48/52/704044852.db2.gz JANRVEWSTGLAQR-CQSZACIVSA-N 1 1 305.334 1.664 20 5 DDBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789514 704132497 /nfs/dbraw/zinc/13/24/97/704132497.db2.gz HFZLOLUEBLJUSD-CHWSQXEVSA-N 1 1 324.381 1.988 20 5 DDBDMO CN(C[C@@H]1CCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870879113 704155110 /nfs/dbraw/zinc/15/51/10/704155110.db2.gz UCHZNNDLMHUFNP-DZGCQCFKSA-N 1 1 307.350 1.406 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000853964782 704341317 /nfs/dbraw/zinc/34/13/17/704341317.db2.gz AMQFURYJWQCGDX-CYBMUJFWSA-N 1 1 306.366 1.334 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@@H+](CC)C1 ZINC000855490880 704487542 /nfs/dbraw/zinc/48/75/42/704487542.db2.gz LGRBEUSZTVFDPO-GFCCVEGCSA-N 1 1 306.366 1.733 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832783684 706983487 /nfs/dbraw/zinc/98/34/87/706983487.db2.gz SYZGQGGXXKCBNZ-LLVKDONJSA-N 1 1 324.337 1.001 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000860165422 705120936 /nfs/dbraw/zinc/12/09/36/705120936.db2.gz VQXDAPYKRDTDRI-NXEZZACHSA-N 1 1 310.281 1.347 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000860165422 705120939 /nfs/dbraw/zinc/12/09/39/705120939.db2.gz VQXDAPYKRDTDRI-NXEZZACHSA-N 1 1 310.281 1.347 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834294 705192279 /nfs/dbraw/zinc/19/22/79/705192279.db2.gz QWBCFIGOYMITMK-KGLIPLIRSA-N 1 1 304.350 1.486 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874842455 705197527 /nfs/dbraw/zinc/19/75/27/705197527.db2.gz HSLDRILZNQFZLX-CHWSQXEVSA-N 1 1 321.381 1.185 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927160 705340636 /nfs/dbraw/zinc/34/06/36/705340636.db2.gz OMDOCJGYNQVRNN-NSHDSACASA-N 1 1 307.354 1.735 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378905 705658055 /nfs/dbraw/zinc/65/80/55/705658055.db2.gz IXCDWRQYSZWIDU-RISCZKNCSA-N 1 1 307.350 1.086 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615412 705703340 /nfs/dbraw/zinc/70/33/40/705703340.db2.gz VOVQYDSIGGGLGZ-FZMZJTMJSA-N 1 1 309.366 1.475 20 5 DDBDMO C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CC[NH2+]CC1=O ZINC000863657721 705978049 /nfs/dbraw/zinc/97/80/49/705978049.db2.gz DVMNYBBBKHLYQV-SECBINFHSA-N 1 1 317.305 1.138 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000881906719 707418662 /nfs/dbraw/zinc/41/86/62/707418662.db2.gz YMYYCLNNADZLPA-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000828905414 706253414 /nfs/dbraw/zinc/25/34/14/706253414.db2.gz WPIPNMOQBOVGAA-XHDPSFHLSA-N 1 1 319.361 1.395 20 5 DDBDMO Cn1nnnc1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878327032 706360767 /nfs/dbraw/zinc/36/07/67/706360767.db2.gz XNLCTCLJSHSADL-UHFFFAOYSA-N 1 1 302.338 1.325 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880528823 707005292 /nfs/dbraw/zinc/00/52/92/707005292.db2.gz HBIPXIIVAMFXCW-NWANDNLSSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880528823 707005296 /nfs/dbraw/zinc/00/52/96/707005296.db2.gz HBIPXIIVAMFXCW-NWANDNLSSA-N 1 1 319.361 1.229 20 5 DDBDMO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880581103 707025737 /nfs/dbraw/zinc/02/57/37/707025737.db2.gz WPWVSWRUGHOGKO-CQSZACIVSA-N 1 1 322.361 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880581103 707025740 /nfs/dbraw/zinc/02/57/40/707025740.db2.gz WPWVSWRUGHOGKO-CQSZACIVSA-N 1 1 322.361 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880585227 707027857 /nfs/dbraw/zinc/02/78/57/707027857.db2.gz FSFPIYXVMGDBGZ-OAHLLOKOSA-N 1 1 306.362 1.958 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880614810 707042496 /nfs/dbraw/zinc/04/24/96/707042496.db2.gz ZWFUFXPFYOBTCX-GFCCVEGCSA-N 1 1 323.397 1.288 20 5 DDBDMO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000881628699 707308782 /nfs/dbraw/zinc/30/87/82/707308782.db2.gz AUHUWSUPPRRIGI-ZIAGYGMSSA-N 1 1 309.410 1.909 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872758430 707587827 /nfs/dbraw/zinc/58/78/27/707587827.db2.gz ZWFLMKYDLAYAIR-NWDGAFQWSA-N 1 1 311.769 1.894 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000872785648 707600904 /nfs/dbraw/zinc/60/09/04/707600904.db2.gz GLDAYOJSQQUOCJ-PHIMTYICSA-N 1 1 303.322 1.184 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000882491505 707662497 /nfs/dbraw/zinc/66/24/97/707662497.db2.gz GTOPKTBKRYTEHX-LBPRGKRZSA-N 1 1 307.350 1.492 20 5 DDBDMO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@H+]2CC)c1[N+](=O)[O-] ZINC000882960759 707874673 /nfs/dbraw/zinc/87/46/73/707874673.db2.gz UXXZTOMUQMLOHT-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@]2(C)C1 ZINC000896913208 708181274 /nfs/dbraw/zinc/18/12/74/708181274.db2.gz OJBYMRAUTWGGCK-BZNIZROVSA-N 1 1 313.361 1.926 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000886026568 708684052 /nfs/dbraw/zinc/68/40/52/708684052.db2.gz YKNNQKSCJFFEAK-HNNXBMFYSA-N 1 1 320.393 1.677 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000886026568 708684054 /nfs/dbraw/zinc/68/40/54/708684054.db2.gz YKNNQKSCJFFEAK-HNNXBMFYSA-N 1 1 320.393 1.677 20 5 DDBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098678 708697937 /nfs/dbraw/zinc/69/79/37/708697937.db2.gz PKHFKEMSRIYGQE-QWHCGFSZSA-N 1 1 304.350 1.480 20 5 DDBDMO CN1CCC2(CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)C1=O ZINC000886175068 708710324 /nfs/dbraw/zinc/71/03/24/708710324.db2.gz PPWIAKHJXSXSBY-UHFFFAOYSA-N 1 1 304.350 1.434 20 5 DDBDMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285384 708735783 /nfs/dbraw/zinc/73/57/83/708735783.db2.gz HJPGMCNWJVQRPD-ZDUSSCGKSA-N 1 1 306.366 1.726 20 5 DDBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285384 708735784 /nfs/dbraw/zinc/73/57/84/708735784.db2.gz HJPGMCNWJVQRPD-ZDUSSCGKSA-N 1 1 306.366 1.726 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000886593586 708785838 /nfs/dbraw/zinc/78/58/38/708785838.db2.gz UVHVRITZDVKLDZ-CYBMUJFWSA-N 1 1 323.397 1.288 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3ncccn3)C2)c1 ZINC000886680637 708812464 /nfs/dbraw/zinc/81/24/64/708812464.db2.gz IWGGCZJXRAOFOR-LBPRGKRZSA-N 1 1 302.338 1.461 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886823106 708854161 /nfs/dbraw/zinc/85/41/61/708854161.db2.gz ZAIWXAMQLVNYLE-OCCSQVGLSA-N 1 1 307.350 1.257 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892144412 710379820 /nfs/dbraw/zinc/37/98/20/710379820.db2.gz OAHJCJKAVALSSE-ZYHUDNBSSA-N 1 1 308.338 1.274 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417912 710434125 /nfs/dbraw/zinc/43/41/25/710434125.db2.gz KGYDYGUNERFCSF-CABCVRRESA-N 1 1 318.377 1.973 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000928439690 713196522 /nfs/dbraw/zinc/19/65/22/713196522.db2.gz JVQKRKDKVNHQOG-GXSJLCMTSA-N 1 1 302.334 1.899 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928459940 713206173 /nfs/dbraw/zinc/20/61/73/713206173.db2.gz YJMPGQZVGIOOKA-QWHCGFSZSA-N 1 1 321.377 1.881 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000894995396 711356146 /nfs/dbraw/zinc/35/61/46/711356146.db2.gz CFLTZRCBWZRZFH-SNVBAGLBSA-N 1 1 302.290 1.615 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000895455598 711516506 /nfs/dbraw/zinc/51/65/06/711516506.db2.gz CFMMLIRKVBKSCM-ZUZCIYMTSA-N 1 1 310.350 1.759 20 5 DDBDMO CC(C)c1ccc(CN2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000904397883 711852364 /nfs/dbraw/zinc/85/23/64/711852364.db2.gz JSFXRBJIVFZCDD-UHFFFAOYSA-N 1 1 306.410 1.713 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000914290941 713371574 /nfs/dbraw/zinc/37/15/74/713371574.db2.gz FIQKQXVWVFYDJR-MFKMUULPSA-N 1 1 322.365 1.495 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930353099 713812071 /nfs/dbraw/zinc/81/20/71/713812071.db2.gz HFWIBODEMPHSNK-KBMXLJTQSA-N 1 1 306.362 1.873 20 5 DDBDMO C[N@@H+](CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000930648070 713886790 /nfs/dbraw/zinc/88/67/90/713886790.db2.gz GFKYWHNDGIGWPC-UHFFFAOYSA-N 1 1 309.341 1.877 20 5 DDBDMO COc1ccc(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000930770131 713916056 /nfs/dbraw/zinc/91/60/56/713916056.db2.gz VUFUOCDWENYWIM-ZWNOBZJWSA-N 1 1 320.349 1.771 20 5 DDBDMO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043575 713989391 /nfs/dbraw/zinc/98/93/91/713989391.db2.gz QQULNZKQEVDCKO-JSGCOSHPSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043575 713989394 /nfs/dbraw/zinc/98/93/94/713989394.db2.gz QQULNZKQEVDCKO-JSGCOSHPSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@](CO)([NH2+]Cc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000922308265 714017426 /nfs/dbraw/zinc/01/74/26/714017426.db2.gz WNHNZUXWNYOICT-OAHLLOKOSA-N 1 1 322.340 1.758 20 5 DDBDMO COc1cc(CN[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557438 714087603 /nfs/dbraw/zinc/08/76/03/714087603.db2.gz OEOVQLIWOIYUAL-JQWIXIFHSA-N 1 1 309.366 1.794 20 5 DDBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557438 714087604 /nfs/dbraw/zinc/08/76/04/714087604.db2.gz OEOVQLIWOIYUAL-JQWIXIFHSA-N 1 1 309.366 1.794 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431656 714095328 /nfs/dbraw/zinc/09/53/28/714095328.db2.gz YTYUUFXSIZCLGM-GXTWGEPZSA-N 1 1 305.378 1.987 20 5 DDBDMO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000923279032 714295328 /nfs/dbraw/zinc/29/53/28/714295328.db2.gz BBQNXTZYOGPBII-CYBMUJFWSA-N 1 1 309.366 1.018 20 5 DDBDMO Cn1nccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932267315 714295839 /nfs/dbraw/zinc/29/58/39/714295839.db2.gz OBTGHXZFZOPXMA-CQSZACIVSA-N 1 1 317.349 1.327 20 5 DDBDMO Cn1nccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932267315 714295842 /nfs/dbraw/zinc/29/58/42/714295842.db2.gz OBTGHXZFZOPXMA-CQSZACIVSA-N 1 1 317.349 1.327 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933675767 714645579 /nfs/dbraw/zinc/64/55/79/714645579.db2.gz OFIKESHARHOTQV-KGLIPLIRSA-N 1 1 324.381 1.227 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933675767 714645580 /nfs/dbraw/zinc/64/55/80/714645580.db2.gz OFIKESHARHOTQV-KGLIPLIRSA-N 1 1 324.381 1.227 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933684392 714647967 /nfs/dbraw/zinc/64/79/67/714647967.db2.gz ARKIRYPUHBUNEN-UONOGXRCSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933684392 714647968 /nfs/dbraw/zinc/64/79/68/714647968.db2.gz ARKIRYPUHBUNEN-UONOGXRCSA-N 1 1 324.381 1.370 20 5 DDBDMO O=C1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCCN1 ZINC000934156290 714756713 /nfs/dbraw/zinc/75/67/13/714756713.db2.gz CEFLBPNGFJHNTK-OAHLLOKOSA-N 1 1 321.377 1.620 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946589156 718844632 /nfs/dbraw/zinc/84/46/32/718844632.db2.gz JGMIXRZOUDUYOW-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946589156 718844636 /nfs/dbraw/zinc/84/46/36/718844636.db2.gz JGMIXRZOUDUYOW-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946589156 718844640 /nfs/dbraw/zinc/84/46/40/718844640.db2.gz JGMIXRZOUDUYOW-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001164667048 719385342 /nfs/dbraw/zinc/38/53/42/719385342.db2.gz MNXYLSYULDGMCU-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001164664733 719389899 /nfs/dbraw/zinc/38/98/99/719389899.db2.gz COEQLDSSFIOBFM-KBPBESRZSA-N 1 1 314.345 1.662 20 5 DDBDMO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H]1C[N@@H+](C)CCN1C ZINC001120960723 782257878 /nfs/dbraw/zinc/25/78/78/782257878.db2.gz WTKRFGWXGPFIAZ-NHYWBVRUSA-N 1 1 319.409 1.609 20 5 DDBDMO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064118 734368710 /nfs/dbraw/zinc/36/87/10/734368710.db2.gz WZBUBEGWAVKNPO-QKPAOTATSA-N 1 1 317.389 1.651 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064170 734369176 /nfs/dbraw/zinc/36/91/76/734369176.db2.gz ZFPSHOSHBVIVQW-LXTVHRRPSA-N 1 1 307.394 1.779 20 5 DDBDMO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC001126936846 742842907 /nfs/dbraw/zinc/84/29/07/742842907.db2.gz UKLGJLKLCRUQND-DGCLKSJQSA-N 1 1 311.769 1.519 20 5 DDBDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001197787338 747265020 /nfs/dbraw/zinc/26/50/20/747265020.db2.gz UDZCFTPCBUNPGE-NSHDSACASA-N 1 1 317.349 1.174 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685211 747577048 /nfs/dbraw/zinc/57/70/48/747577048.db2.gz HZUCEWJFBCCKJK-GJZGRUSLSA-N 1 1 321.377 1.790 20 5 DDBDMO [NH3+]C1(c2cccnc2)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992060 762165808 /nfs/dbraw/zinc/16/58/08/762165808.db2.gz JFHAJNCAOBBSHF-ZFWWWQNUSA-N 1 1 304.394 1.777 20 5 DDBDMO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038654 762193624 /nfs/dbraw/zinc/19/36/24/762193624.db2.gz JXKLKTISFAUVFU-HOTGVXAUSA-N 1 1 317.389 1.776 20 5 DDBDMO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038654 762193625 /nfs/dbraw/zinc/19/36/25/762193625.db2.gz JXKLKTISFAUVFU-HOTGVXAUSA-N 1 1 317.389 1.776 20 5 DDBDMO COC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022096 762201050 /nfs/dbraw/zinc/20/10/50/762201050.db2.gz MUZSECJYXQWMOG-QKPAOTATSA-N 1 1 312.410 1.949 20 5 DDBDMO CN1CCN(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169026324 762203392 /nfs/dbraw/zinc/20/33/92/762203392.db2.gz KVKJFFNMTGJGMT-GOEBONIOSA-N 1 1 310.442 1.144 20 5 DDBDMO COC[C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169026722 762204919 /nfs/dbraw/zinc/20/49/19/762204919.db2.gz NLIUFLOZFOOPOV-MJBXVCDLSA-N 1 1 308.382 1.407 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3ncccn3)C2)C1 ZINC001169053134 762208033 /nfs/dbraw/zinc/20/80/33/762208033.db2.gz HQHGIWFPRMVVCW-MGPQQGTHSA-N 1 1 306.366 1.765 20 5 DDBDMO Cc1cnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057627 762210911 /nfs/dbraw/zinc/21/09/11/762210911.db2.gz WKJXUXIZWWHSSM-HZSPNIEDSA-N 1 1 306.366 1.684 20 5 DDBDMO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020139770 760614200 /nfs/dbraw/zinc/61/42/00/760614200.db2.gz MRAZGYARSWHZDS-RGCMKSIDSA-N 1 1 321.352 1.536 20 5 DDBDMO Cc1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086083317 760943317 /nfs/dbraw/zinc/94/33/17/760943317.db2.gz VCLQPLJKFNVJIF-WRWGMCAJSA-N 1 1 324.406 1.101 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001170343719 766275870 /nfs/dbraw/zinc/27/58/70/766275870.db2.gz ZYFZNCHHMREFDZ-UHFFFAOYSA-N 1 1 305.338 1.362 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170344620 766276317 /nfs/dbraw/zinc/27/63/17/766276317.db2.gz DIVCYWYZJWQDDV-LBPRGKRZSA-N 1 1 322.361 1.983 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC001170344620 766276320 /nfs/dbraw/zinc/27/63/20/766276320.db2.gz DIVCYWYZJWQDDV-LBPRGKRZSA-N 1 1 322.361 1.983 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cnc(C[NH3+])n2)c1F ZINC001173188177 777036539 /nfs/dbraw/zinc/03/65/39/777036539.db2.gz IUIUVAMUIXUALE-QMMMGPOBSA-N 1 1 309.301 1.596 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235889 777063849 /nfs/dbraw/zinc/06/38/49/777063849.db2.gz CBLYZLMFSAWQKM-JSGCOSHPSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC001116143340 780478011 /nfs/dbraw/zinc/47/80/11/780478011.db2.gz LQJAEEKDFMKHHU-LBPRGKRZSA-N 1 1 318.377 1.073 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](CCOC(C)C)CC1 ZINC001326409268 861342455 /nfs/dbraw/zinc/34/24/55/861342455.db2.gz XAOJUMFKAFKSKJ-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001123361592 859193492 /nfs/dbraw/zinc/19/34/92/859193492.db2.gz YIVVJEIYTBKGPF-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001157018973 863520990 /nfs/dbraw/zinc/52/09/90/863520990.db2.gz CAACTYFFDNCINM-SNVBAGLBSA-N 1 1 314.773 1.801 20 5 DDBDMO CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC001330850716 864654146 /nfs/dbraw/zinc/65/41/46/864654146.db2.gz QOHGLLCQWXLUSP-LBPRGKRZSA-N 1 1 310.354 1.636 20 5 DDBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC001330850716 864654150 /nfs/dbraw/zinc/65/41/50/864654150.db2.gz QOHGLLCQWXLUSP-LBPRGKRZSA-N 1 1 310.354 1.636 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160720830 866059560 /nfs/dbraw/zinc/05/95/60/866059560.db2.gz SSONVZDLKGRXTQ-UONOGXRCSA-N 1 1 306.366 1.963 20 5 DDBDMO Nc1nc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160724459 866072082 /nfs/dbraw/zinc/07/20/82/866072082.db2.gz LBZZQSCCFPMECE-GHMZBOCLSA-N 1 1 307.354 1.237 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@H]1CCC[N@H+]1C ZINC001160966577 866230962 /nfs/dbraw/zinc/23/09/62/866230962.db2.gz PQBSIYPZNSGYDA-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(COC3)O1)CC2 ZINC001333118173 866436379 /nfs/dbraw/zinc/43/63/79/866436379.db2.gz ICSYTRSUVIOPTN-OAHLLOKOSA-N 1 1 304.346 1.901 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(COC3)O1)CC2 ZINC001333118173 866436392 /nfs/dbraw/zinc/43/63/92/866436392.db2.gz ICSYTRSUVIOPTN-OAHLLOKOSA-N 1 1 304.346 1.901 20 5 DDBDMO COc1cnc(NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161703977 866912858 /nfs/dbraw/zinc/91/28/58/866912858.db2.gz VGSRJXDPAAREMH-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO C[N@H+](CC(=O)OCc1cccnc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC001333907367 867144960 /nfs/dbraw/zinc/14/49/60/867144960.db2.gz AYOUTYNOKMIBLI-LLVKDONJSA-N 1 1 311.363 1.470 20 5 DDBDMO C[N@@H+](CC(=O)OCc1cccnc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC001333907367 867144978 /nfs/dbraw/zinc/14/49/78/867144978.db2.gz AYOUTYNOKMIBLI-LLVKDONJSA-N 1 1 311.363 1.470 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001325167086 867834151 /nfs/dbraw/zinc/83/41/51/867834151.db2.gz WBZOQVGGGQYCPN-SECBINFHSA-N 1 1 311.313 1.519 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC001325167086 867834163 /nfs/dbraw/zinc/83/41/63/867834163.db2.gz WBZOQVGGGQYCPN-SECBINFHSA-N 1 1 311.313 1.519 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1NCc1noc3c1CNCC3)C[NH2+]C2 ZINC001163131955 868141860 /nfs/dbraw/zinc/14/18/60/868141860.db2.gz QBMDMDXXMIXUNX-UHFFFAOYSA-N 1 1 315.333 1.444 20 5 DDBDMO [NH3+][C@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)CCC1(F)F ZINC001164319747 869124006 /nfs/dbraw/zinc/12/40/06/869124006.db2.gz OAMWOPLZFHEBNB-NSHDSACASA-N 1 1 309.276 1.711 20 5 DDBDMO CC(C)Oc1nc(N2CCC(F)(F)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164325900 869129345 /nfs/dbraw/zinc/12/93/45/869129345.db2.gz ABYAPOHLYJFXEC-JTQLQIEISA-N 1 1 316.308 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H](CO)[C@@H](CCO)C3)c2c1 ZINC001336870501 869192231 /nfs/dbraw/zinc/19/22/31/869192231.db2.gz VJABJNMPJXLLOD-NWDGAFQWSA-N 1 1 317.345 1.570 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001297359020 870001382 /nfs/dbraw/zinc/00/13/82/870001382.db2.gz KPMWHRDDXGVVBJ-JSGCOSHPSA-N 1 1 322.340 1.435 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001338680971 870112894 /nfs/dbraw/zinc/11/28/94/870112894.db2.gz HGZGIULHWLNIRU-BETUJISGSA-N 1 1 308.382 1.631 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001339264381 870427880 /nfs/dbraw/zinc/42/78/80/870427880.db2.gz KWMAYMIZBVQCHB-NSHDSACASA-N 1 1 321.333 1.538 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468485 870512246 /nfs/dbraw/zinc/51/22/46/870512246.db2.gz VPCCTRLFFYPMPB-QWHCGFSZSA-N 1 1 324.429 1.804 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001227125099 882858576 /nfs/dbraw/zinc/85/85/76/882858576.db2.gz YNXKDEIAFKFCCM-SNVBAGLBSA-N 1 1 317.301 1.972 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC001350914985 875955134 /nfs/dbraw/zinc/95/51/34/875955134.db2.gz GAVKBMRVNSFFIJ-DUFXMDAXSA-N 1 1 307.325 1.804 20 5 DDBDMO C[N@@H+]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001213935549 876108647 /nfs/dbraw/zinc/10/86/47/876108647.db2.gz SBLMOOUACGUZHS-GFCCVEGCSA-N 1 1 313.379 1.213 20 5 DDBDMO C[N@H+]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001213935549 876108655 /nfs/dbraw/zinc/10/86/55/876108655.db2.gz SBLMOOUACGUZHS-GFCCVEGCSA-N 1 1 313.379 1.213 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)CC2)cc1O ZINC001228811396 883681747 /nfs/dbraw/zinc/68/17/47/883681747.db2.gz QAHDCGCARYHPBJ-JTQLQIEISA-N 1 1 324.333 1.950 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)CC2)cc1O ZINC001228811396 883681753 /nfs/dbraw/zinc/68/17/53/883681753.db2.gz QAHDCGCARYHPBJ-JTQLQIEISA-N 1 1 324.333 1.950 20 5 DDBDMO OC[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219311 886166022 /nfs/dbraw/zinc/16/60/22/886166022.db2.gz SOTSTVUVIYSOPA-RDJZCZTQSA-N 1 1 323.396 1.958 20 5 DDBDMO OC[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219310 886166163 /nfs/dbraw/zinc/16/61/63/886166163.db2.gz SOTSTVUVIYSOPA-NVXWUHKLSA-N 1 1 323.396 1.958 20 5 DDBDMO [NH3+]C[C@]1(O)CCCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564304 892700478 /nfs/dbraw/zinc/70/04/78/892700478.db2.gz XHKYEOACEBKMRH-HZPDHXFCSA-N 1 1 305.378 1.238 20 5 DDBDMO Cc1ncc(C[NH3+])c(=N)n1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538431 896494198 /nfs/dbraw/zinc/49/41/98/896494198.db2.gz UZFOZISRAKFCQK-JTQLQIEISA-N 1 1 301.350 1.842 20 5 DDBDMO [NH3+]C[C@]1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580893 896513889 /nfs/dbraw/zinc/51/38/89/896513889.db2.gz HTTVOUBZSLYYPJ-WBVHZDCISA-N 1 1 316.405 1.075 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@H]3C[C@@H](CO)C[C@H]31)C2 ZINC001254594727 896522304 /nfs/dbraw/zinc/52/23/04/896522304.db2.gz SPQVGZUGZHGYPP-KSHAWTQOSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCO[C@@H]3C[C@@H](CO)C[C@H]31)C2 ZINC001254594727 896522315 /nfs/dbraw/zinc/52/23/15/896522315.db2.gz SPQVGZUGZHGYPP-KSHAWTQOSA-N 1 1 318.373 1.534 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC001254596770 896522800 /nfs/dbraw/zinc/52/28/00/896522800.db2.gz GAYUFNYIZDIGGT-IRXDYDNUSA-N 1 1 317.389 1.469 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN([C@H]3CCOC3)CC1)C2 ZINC001254596770 896522813 /nfs/dbraw/zinc/52/28/13/896522813.db2.gz GAYUFNYIZDIGGT-IRXDYDNUSA-N 1 1 317.389 1.469 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254605779 896526799 /nfs/dbraw/zinc/52/67/99/896526799.db2.gz DLEDTOAFXWNDPE-VQISRLSMSA-N 1 1 304.346 1.803 20 5 DDBDMO CN1CCN(CC[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603804 896527386 /nfs/dbraw/zinc/52/73/86/896527386.db2.gz QWQCKQJQQNHMRK-KRWDZBQOSA-N 1 1 318.421 1.241 20 5 DDBDMO CN1CCN(CC[N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603804 896527401 /nfs/dbraw/zinc/52/74/01/896527401.db2.gz QWQCKQJQQNHMRK-KRWDZBQOSA-N 1 1 318.421 1.241 20 5 DDBDMO CSc1cccc(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001255254459 896808312 /nfs/dbraw/zinc/80/83/12/896808312.db2.gz BKFDAINHIZKKHW-UHFFFAOYSA-N 1 1 307.375 1.918 20 5 DDBDMO C/C=C(/C)C(=O)NCCC[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC001265107158 901567086 /nfs/dbraw/zinc/56/70/86/901567086.db2.gz BIFOCBCTIFDWSH-XGICHPGQSA-N 1 1 323.397 1.623 20 5 DDBDMO C/C=C(/C)C(=O)NCCC[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC001265107158 901567098 /nfs/dbraw/zinc/56/70/98/901567098.db2.gz BIFOCBCTIFDWSH-XGICHPGQSA-N 1 1 323.397 1.623 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001294222911 914991782 /nfs/dbraw/zinc/99/17/82/914991782.db2.gz DNIUGACFBDNANT-NEPJUHHUSA-N 1 1 304.350 1.607 20 5 DDBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000081903844 192337280 /nfs/dbraw/zinc/33/72/80/192337280.db2.gz HHIUBNGISPZBJS-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO CS[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308207 231063624 /nfs/dbraw/zinc/06/36/24/231063624.db2.gz AFGFPSSGHFQTRT-JSGCOSHPSA-N 1 1 312.391 1.772 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000614829328 362042227 /nfs/dbraw/zinc/04/22/27/362042227.db2.gz SDFOHWATOPPOQN-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO CC[N@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589606 185305464 /nfs/dbraw/zinc/30/54/64/185305464.db2.gz OJJNAXWHDHDDDT-UHFFFAOYSA-N 1 1 322.390 1.778 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413232431 529801036 /nfs/dbraw/zinc/80/10/36/529801036.db2.gz NGHKJMSHALDTCA-LLVKDONJSA-N 1 1 320.271 1.487 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)CO ZINC000294733200 529980229 /nfs/dbraw/zinc/98/02/29/529980229.db2.gz GLLIPNLRFSHFDX-UHFFFAOYSA-N 1 1 310.350 1.912 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330913840 232158248 /nfs/dbraw/zinc/15/82/48/232158248.db2.gz IDYZKNKNBAUNAU-GFCCVEGCSA-N 1 1 306.366 1.194 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330913840 232158252 /nfs/dbraw/zinc/15/82/52/232158252.db2.gz IDYZKNKNBAUNAU-GFCCVEGCSA-N 1 1 306.366 1.194 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277678362 213686970 /nfs/dbraw/zinc/68/69/70/213686970.db2.gz GDMNTLCUGLZLNR-ONGXEEELSA-N 1 1 322.287 1.427 20 5 DDBDMO COC[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000279783349 215144474 /nfs/dbraw/zinc/14/44/74/215144474.db2.gz LNLCGOSHGZQLEF-LBPRGKRZSA-N 1 1 323.374 1.815 20 5 DDBDMO C[N@@H+](CCCCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279795927 215153689 /nfs/dbraw/zinc/15/36/89/215153689.db2.gz WCKFUWJLFUJYQA-ZDUSSCGKSA-N 1 1 312.366 1.429 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000048428674 352539706 /nfs/dbraw/zinc/53/97/06/352539706.db2.gz XOWBFQZGQCEQEB-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC=CCC1 ZINC000279965585 215277051 /nfs/dbraw/zinc/27/70/51/215277051.db2.gz PLWMJVUDNKTKIL-UHFFFAOYSA-N 1 1 318.377 1.698 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000072714768 191221582 /nfs/dbraw/zinc/22/15/82/191221582.db2.gz SHHHIDOAQAZKLM-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000072714768 191221583 /nfs/dbraw/zinc/22/15/83/191221583.db2.gz SHHHIDOAQAZKLM-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491564790 234204236 /nfs/dbraw/zinc/20/42/36/234204236.db2.gz ZAIKOVMKVHMVPY-GXMNPTEKSA-N 1 1 319.361 1.445 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061648926 352891835 /nfs/dbraw/zinc/89/18/35/352891835.db2.gz HVEBEGFFEYNWLO-UONOGXRCSA-N 1 1 319.361 1.496 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277096741 213291507 /nfs/dbraw/zinc/29/15/07/213291507.db2.gz CBCKHUJKYUDRQN-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000078662017 353527132 /nfs/dbraw/zinc/52/71/32/353527132.db2.gz XYSVISAGKFEPFA-CQSZACIVSA-N 1 1 314.313 1.792 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108297133 353948555 /nfs/dbraw/zinc/94/85/55/353948555.db2.gz AKIFPYRRZNTZAA-NSHDSACASA-N 1 1 322.340 1.530 20 5 DDBDMO Nc1c(C(=O)N2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000402694227 354669312 /nfs/dbraw/zinc/66/93/12/354669312.db2.gz MMEDALGNBYCPKW-UHFFFAOYSA-N 1 1 310.329 1.294 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501668 354996976 /nfs/dbraw/zinc/99/69/76/354996976.db2.gz VPWQHTGZJGGUED-SNVBAGLBSA-N 1 1 323.349 1.195 20 5 DDBDMO CN(CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046408 355043711 /nfs/dbraw/zinc/04/37/11/355043711.db2.gz CKRSECMEWLYSPC-DOMZBBRYSA-N 1 1 318.377 1.194 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000590442952 355097867 /nfs/dbraw/zinc/09/78/67/355097867.db2.gz IGLRAPYLOKYOIF-YGRLFVJLSA-N 1 1 305.334 1.380 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000590972438 355227404 /nfs/dbraw/zinc/22/74/04/355227404.db2.gz UKGHVHIJPVJIKN-OCCSQVGLSA-N 1 1 305.334 1.305 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000590972438 355227406 /nfs/dbraw/zinc/22/74/06/355227406.db2.gz UKGHVHIJPVJIKN-OCCSQVGLSA-N 1 1 305.334 1.305 20 5 DDBDMO Cc1nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000591729085 355373859 /nfs/dbraw/zinc/37/38/59/355373859.db2.gz KKRBLBGUZXBWFZ-CYBMUJFWSA-N 1 1 323.374 1.889 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000591830107 355392839 /nfs/dbraw/zinc/39/28/39/355392839.db2.gz FCVKTAZOSPBJJG-IINYFYTJSA-N 1 1 306.366 1.200 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@@H+](C)C1 ZINC000592830345 355706032 /nfs/dbraw/zinc/70/60/32/355706032.db2.gz DJJVALJBIXTAHP-LBPRGKRZSA-N 1 1 306.366 1.855 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519676 355912274 /nfs/dbraw/zinc/91/22/74/355912274.db2.gz AOBQPXFRMSGWTM-YGRLFVJLSA-N 1 1 321.352 1.875 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593454270 355889339 /nfs/dbraw/zinc/88/93/39/355889339.db2.gz HCVOQSPUFQHIRA-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO COc1ccc(OCC[N@@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594066320 356103469 /nfs/dbraw/zinc/10/34/69/356103469.db2.gz VPGMSRBSAMKBOS-LLVKDONJSA-N 1 1 310.350 1.827 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594845559 356335120 /nfs/dbraw/zinc/33/51/20/356335120.db2.gz BNACMWMHEZBYNF-UHFFFAOYSA-N 1 1 313.379 1.085 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595551448 356546556 /nfs/dbraw/zinc/54/65/56/356546556.db2.gz LZMGPXFKDXOHES-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595593368 356566092 /nfs/dbraw/zinc/56/60/92/356566092.db2.gz DRTFIYYFWIRVCL-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1c[nH]cn1 ZINC000595593368 356566095 /nfs/dbraw/zinc/56/60/95/356566095.db2.gz DRTFIYYFWIRVCL-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595593368 356566098 /nfs/dbraw/zinc/56/60/98/356566098.db2.gz DRTFIYYFWIRVCL-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595593368 356566101 /nfs/dbraw/zinc/56/61/01/356566101.db2.gz DRTFIYYFWIRVCL-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741686 356631089 /nfs/dbraw/zinc/63/10/89/356631089.db2.gz DBUWNENQQZKHKS-OZTPJHRESA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741686 356631091 /nfs/dbraw/zinc/63/10/91/356631091.db2.gz DBUWNENQQZKHKS-OZTPJHRESA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595761062 356642211 /nfs/dbraw/zinc/64/22/11/356642211.db2.gz WLSUIAYUPQMIJC-WQGACYEGSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595761062 356642213 /nfs/dbraw/zinc/64/22/13/356642213.db2.gz WLSUIAYUPQMIJC-WQGACYEGSA-N 1 1 319.361 1.890 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836996 356672603 /nfs/dbraw/zinc/67/26/03/356672603.db2.gz ZQIPEGFZQVMEAB-MELADBBJSA-N 1 1 322.361 1.303 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595826786 356666030 /nfs/dbraw/zinc/66/60/30/356666030.db2.gz IOEKLKUNKQGBAJ-OCCSQVGLSA-N 1 1 320.345 1.850 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192465855 283210806 /nfs/dbraw/zinc/21/08/06/283210806.db2.gz WKHRWROMWVHDOL-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO Cc1c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000595864502 356682832 /nfs/dbraw/zinc/68/28/32/356682832.db2.gz BGIJJSGBNMBVMT-MRXNPFEDSA-N 1 1 319.405 1.934 20 5 DDBDMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCO1 ZINC000596101639 356771692 /nfs/dbraw/zinc/77/16/92/356771692.db2.gz JMKRTHKWVVOTNI-UHFFFAOYSA-N 1 1 322.365 1.216 20 5 DDBDMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCO1 ZINC000596101639 356771696 /nfs/dbraw/zinc/77/16/96/356771696.db2.gz JMKRTHKWVVOTNI-UHFFFAOYSA-N 1 1 322.365 1.216 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000596113918 356776508 /nfs/dbraw/zinc/77/65/08/356776508.db2.gz FBFHWMGQHMKLNZ-GHMZBOCLSA-N 1 1 322.365 1.215 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000596257489 356834746 /nfs/dbraw/zinc/83/47/46/356834746.db2.gz LFEYKXUUZSAYNM-JTQLQIEISA-N 1 1 314.773 1.324 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648775 357669889 /nfs/dbraw/zinc/66/98/89/357669889.db2.gz HGEAZGKGYOHXAO-QWHCGFSZSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648775 357669893 /nfs/dbraw/zinc/66/98/93/357669893.db2.gz HGEAZGKGYOHXAO-QWHCGFSZSA-N 1 1 321.377 1.508 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564178 357974466 /nfs/dbraw/zinc/97/44/66/357974466.db2.gz QCSUDTGDOJMBRO-XHDPSFHLSA-N 1 1 308.334 1.920 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669059 358016962 /nfs/dbraw/zinc/01/69/62/358016962.db2.gz BGXSDKBJHSQFGN-BJHJDKERSA-N 1 1 307.350 1.544 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000599659041 358012583 /nfs/dbraw/zinc/01/25/83/358012583.db2.gz OAXNDBFFFKBLNB-BFHYXJOUSA-N 1 1 322.365 1.455 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673874 358019129 /nfs/dbraw/zinc/01/91/29/358019129.db2.gz VDGIAUMJNDUUMJ-UTUOFQBUSA-N 1 1 307.350 1.625 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CCCF)CC1 ZINC000600072506 358115432 /nfs/dbraw/zinc/11/54/32/358115432.db2.gz WIVCIOQXLRLGLQ-UHFFFAOYSA-N 1 1 313.304 1.851 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228489 358162399 /nfs/dbraw/zinc/16/23/99/358162399.db2.gz BTAJWUXRCXLZFL-LBPRGKRZSA-N 1 1 321.381 1.465 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000600228809 358163509 /nfs/dbraw/zinc/16/35/09/358163509.db2.gz FWOZIMIDOPTOBI-LLVKDONJSA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600228809 358163512 /nfs/dbraw/zinc/16/35/12/358163512.db2.gz FWOZIMIDOPTOBI-LLVKDONJSA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600228809 358163517 /nfs/dbraw/zinc/16/35/17/358163517.db2.gz FWOZIMIDOPTOBI-LLVKDONJSA-N 1 1 307.354 1.455 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCc3nnc4n3CCC4)c2c1 ZINC000601100778 358401818 /nfs/dbraw/zinc/40/18/18/358401818.db2.gz BJWMOTXGTDKDSY-UHFFFAOYSA-N 1 1 310.317 1.715 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](CO)[C@H](O)C3)c2c1 ZINC000601153057 358424100 /nfs/dbraw/zinc/42/41/00/358424100.db2.gz UXTHWLQQXGPNJB-MEBBXXQBSA-N 1 1 303.318 1.323 20 5 DDBDMO O=C1CCC[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)N1 ZINC000601156466 358425523 /nfs/dbraw/zinc/42/55/23/358425523.db2.gz RAAVIPZTHFCKEA-JTQLQIEISA-N 1 1 300.318 1.646 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@@H]4COC[C@H](C3)O4)c2c1 ZINC000601161205 358427584 /nfs/dbraw/zinc/42/75/84/358427584.db2.gz DZZRWBWWAAXJSG-TXEJJXNPSA-N 1 1 301.302 1.747 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000601189387 358440117 /nfs/dbraw/zinc/44/01/17/358440117.db2.gz QPAQAWFKLAFQHS-NSHDSACASA-N 1 1 306.366 1.614 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602099669 358812828 /nfs/dbraw/zinc/81/28/28/358812828.db2.gz ZALUZIINPTYMBR-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602482229 359007036 /nfs/dbraw/zinc/00/70/36/359007036.db2.gz HPCQIYRYVSWEFT-LLVKDONJSA-N 1 1 304.354 1.126 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602603218 359067029 /nfs/dbraw/zinc/06/70/29/359067029.db2.gz WMLAQWUMRGRESY-ZDUSSCGKSA-N 1 1 301.350 1.788 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602677055 359120434 /nfs/dbraw/zinc/12/04/34/359120434.db2.gz QBJOOQCDYNOQLH-MRXNPFEDSA-N 1 1 316.361 1.464 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000602819419 359214615 /nfs/dbraw/zinc/21/46/15/359214615.db2.gz BGPUSIKALOJBCS-ZOWXZIJZSA-N 1 1 324.381 1.368 20 5 DDBDMO CN(CC1CC1)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962125 359325501 /nfs/dbraw/zinc/32/55/01/359325501.db2.gz HTIWFGDMMXAXOX-MRXNPFEDSA-N 1 1 321.377 1.260 20 5 DDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000186901298 200028795 /nfs/dbraw/zinc/02/87/95/200028795.db2.gz BTBJVIYSMFFKAZ-SNVBAGLBSA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000186901298 200028797 /nfs/dbraw/zinc/02/87/97/200028797.db2.gz BTBJVIYSMFFKAZ-SNVBAGLBSA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186935292 200034535 /nfs/dbraw/zinc/03/45/35/200034535.db2.gz CTDNJNKHJHUNAT-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186935292 200034537 /nfs/dbraw/zinc/03/45/37/200034537.db2.gz CTDNJNKHJHUNAT-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1O ZINC000186884119 200026750 /nfs/dbraw/zinc/02/67/50/200026750.db2.gz NCLSMCTVUJXNSN-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1O ZINC000186884119 200026752 /nfs/dbraw/zinc/02/67/52/200026752.db2.gz NCLSMCTVUJXNSN-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000189212001 200364745 /nfs/dbraw/zinc/36/47/45/200364745.db2.gz OTPIPEORKNZCNY-GFCCVEGCSA-N 1 1 321.377 1.983 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359020303 299308586 /nfs/dbraw/zinc/30/85/86/299308586.db2.gz PUAGKZAOZTWVGH-VXGBXAGGSA-N 1 1 321.381 1.748 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610615505 360482024 /nfs/dbraw/zinc/48/20/24/360482024.db2.gz HSXPCRDSACSXGE-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO COC[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610615505 360482029 /nfs/dbraw/zinc/48/20/29/360482029.db2.gz HSXPCRDSACSXGE-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611087637 360618840 /nfs/dbraw/zinc/61/88/40/360618840.db2.gz ZIBMCHZCLUYAHO-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088457 360620188 /nfs/dbraw/zinc/62/01/88/360620188.db2.gz XEOSHALHXKIYFU-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092114 360621841 /nfs/dbraw/zinc/62/18/41/360621841.db2.gz JAESPISAXNWFTR-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO CCc1nn(C)c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000611280635 360688181 /nfs/dbraw/zinc/68/81/81/360688181.db2.gz CAMLAWVNKBVCHZ-GFCCVEGCSA-N 1 1 323.397 1.192 20 5 DDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000611712049 360802519 /nfs/dbraw/zinc/80/25/19/360802519.db2.gz UXOZEQZGEUHUMC-HZMBPMFUSA-N 1 1 317.349 1.669 20 5 DDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000611712049 360802524 /nfs/dbraw/zinc/80/25/24/360802524.db2.gz UXOZEQZGEUHUMC-HZMBPMFUSA-N 1 1 317.349 1.669 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000272003799 209375357 /nfs/dbraw/zinc/37/53/57/209375357.db2.gz RXJVIMXKXZXSQL-UHFFFAOYSA-N 1 1 305.334 1.352 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030669 360895103 /nfs/dbraw/zinc/89/51/03/360895103.db2.gz WIWJMUGNOLWRJS-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898196 363787901 /nfs/dbraw/zinc/78/79/01/363787901.db2.gz ZYFLWGBOGOPOMC-NHYWBVRUSA-N 1 1 320.393 1.590 20 5 DDBDMO CC1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000619187189 363926783 /nfs/dbraw/zinc/92/67/83/363926783.db2.gz WDBROXIAHXDXFK-ZIAGYGMSSA-N 1 1 319.361 1.403 20 5 DDBDMO CC1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000619187189 363926789 /nfs/dbraw/zinc/92/67/89/363926789.db2.gz WDBROXIAHXDXFK-ZIAGYGMSSA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1sc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873568 364170328 /nfs/dbraw/zinc/17/03/28/364170328.db2.gz NSZWGEBRGQAXOW-NSHDSACASA-N 1 1 324.406 1.084 20 5 DDBDMO COc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275457178 212345807 /nfs/dbraw/zinc/34/58/07/212345807.db2.gz HHUPTGOQJMQTIH-GFCCVEGCSA-N 1 1 323.393 1.885 20 5 DDBDMO C[N@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000349787769 284053335 /nfs/dbraw/zinc/05/33/35/284053335.db2.gz VKKVBLPJOYQDJZ-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000349787769 284053336 /nfs/dbraw/zinc/05/33/36/284053336.db2.gz VKKVBLPJOYQDJZ-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CN1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000349787769 284053337 /nfs/dbraw/zinc/05/33/37/284053337.db2.gz VKKVBLPJOYQDJZ-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359276118 299391139 /nfs/dbraw/zinc/39/11/39/299391139.db2.gz CJSTXIZJDLWXAY-BETUJISGSA-N 1 1 318.377 1.383 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000093632928 193277246 /nfs/dbraw/zinc/27/72/46/193277246.db2.gz NIANBVFRRUCONW-NSHDSACASA-N 1 1 318.782 1.915 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]3CO)n2)c1 ZINC000264272110 203804475 /nfs/dbraw/zinc/80/44/75/203804475.db2.gz MJQQJTUNWYWOEC-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3CO)n2)c1 ZINC000264272110 203804480 /nfs/dbraw/zinc/80/44/80/203804480.db2.gz MJQQJTUNWYWOEC-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000264609146 204026966 /nfs/dbraw/zinc/02/69/66/204026966.db2.gz FBBOFINVHHCOMQ-UHFFFAOYSA-N 1 1 310.373 1.808 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264661745 204060150 /nfs/dbraw/zinc/06/01/50/204060150.db2.gz TXHGGMAHZGYSTO-LBPRGKRZSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288573630 220251902 /nfs/dbraw/zinc/25/19/02/220251902.db2.gz BLLUILYXXDOUDF-KCQAQPDRSA-N 1 1 324.377 1.427 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267604927 206168604 /nfs/dbraw/zinc/16/86/04/206168604.db2.gz MMAFDCNTIZQREY-VIFPVBQESA-N 1 1 305.290 1.731 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267604927 206168609 /nfs/dbraw/zinc/16/86/09/206168609.db2.gz MMAFDCNTIZQREY-VIFPVBQESA-N 1 1 305.290 1.731 20 5 DDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCO ZINC000267901149 206325390 /nfs/dbraw/zinc/32/53/90/206325390.db2.gz JSXLBEPUGNRLOO-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCO ZINC000267901149 206325393 /nfs/dbraw/zinc/32/53/93/206325393.db2.gz JSXLBEPUGNRLOO-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO NC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174813149 248380052 /nfs/dbraw/zinc/38/00/52/248380052.db2.gz FVQXFAUJAAXFSW-UHFFFAOYSA-N 1 1 317.349 1.169 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@](F)(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000338588524 250042009 /nfs/dbraw/zinc/04/20/09/250042009.db2.gz YHQGUZUGYDEVHV-AWEZNQCLSA-N 1 1 311.313 1.330 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000105820984 194136191 /nfs/dbraw/zinc/13/61/91/194136191.db2.gz PYQOCSXXNYEPFO-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000105824081 194138236 /nfs/dbraw/zinc/13/82/36/194138236.db2.gz MIWSTJFFHIUTGG-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000105825356 194138550 /nfs/dbraw/zinc/13/85/50/194138550.db2.gz ZLMUXWNHUOOKLZ-HIFRSBDPSA-N 1 1 307.394 1.872 20 5 DDBDMO CCOCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000105829146 194139430 /nfs/dbraw/zinc/13/94/30/194139430.db2.gz NFIFRJLIOFZDCM-UHFFFAOYSA-N 1 1 323.393 1.758 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@@H]1CCCO1 ZINC000285208361 218333917 /nfs/dbraw/zinc/33/39/17/218333917.db2.gz DLAQSWYBBFQTLO-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@@H]1CCCO1 ZINC000285208361 218333920 /nfs/dbraw/zinc/33/39/20/218333920.db2.gz DLAQSWYBBFQTLO-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109966739 194300640 /nfs/dbraw/zinc/30/06/40/194300640.db2.gz VEHCQVZXAIHOKJ-CYBMUJFWSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023401 207173744 /nfs/dbraw/zinc/17/37/44/207173744.db2.gz QIGAAVSCRRJLHH-WDEREUQCSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023401 207173748 /nfs/dbraw/zinc/17/37/48/207173748.db2.gz QIGAAVSCRRJLHH-WDEREUQCSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023401 207173752 /nfs/dbraw/zinc/17/37/52/207173752.db2.gz QIGAAVSCRRJLHH-WDEREUQCSA-N 1 1 307.354 1.183 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000061332522 184168907 /nfs/dbraw/zinc/16/89/07/184168907.db2.gz ZNZQBPIFOALGMX-UHFFFAOYSA-N 1 1 307.350 1.691 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340967281 251308555 /nfs/dbraw/zinc/30/85/55/251308555.db2.gz APIIOZLTLMXDTA-LLVKDONJSA-N 1 1 304.350 1.360 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CCNC(C)=O)c([N+](=O)[O-])c1 ZINC000567812064 304244891 /nfs/dbraw/zinc/24/48/91/304244891.db2.gz DDNOTXIUGJSPGE-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158881095 197307914 /nfs/dbraw/zinc/30/79/14/197307914.db2.gz FHQKHSPZYMQJET-WCQYABFASA-N 1 1 323.397 1.335 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@@H]1O ZINC000352692825 285232462 /nfs/dbraw/zinc/23/24/62/285232462.db2.gz GZAWORRXVKCKKC-KGLIPLIRSA-N 1 1 308.334 1.807 20 5 DDBDMO CON1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000459583697 533309252 /nfs/dbraw/zinc/30/92/52/533309252.db2.gz UAGYUDYHXKADQD-UHFFFAOYSA-N 1 1 319.365 1.929 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000301986549 533427703 /nfs/dbraw/zinc/42/77/03/533427703.db2.gz KDGXWNYZNOIOJP-CYBMUJFWSA-N 1 1 321.377 1.977 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000068336856 406633211 /nfs/dbraw/zinc/63/32/11/406633211.db2.gz WALZMXZAHUKVBS-VOTSOKGWSA-N 1 1 307.350 1.302 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069141070 406683861 /nfs/dbraw/zinc/68/38/61/406683861.db2.gz JZMDMKMGNUAUIR-JTQLQIEISA-N 1 1 318.782 1.915 20 5 DDBDMO CC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000029840693 406927995 /nfs/dbraw/zinc/92/79/95/406927995.db2.gz GDDBZWFPYBSYDM-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000090459272 407168581 /nfs/dbraw/zinc/16/85/81/407168581.db2.gz BJRFOMPVGFFEQN-OLZOCXBDSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000090459272 407168584 /nfs/dbraw/zinc/16/85/84/407168584.db2.gz BJRFOMPVGFFEQN-OLZOCXBDSA-N 1 1 319.361 1.578 20 5 DDBDMO C[N@H+](CCn1cccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111280690 407406219 /nfs/dbraw/zinc/40/62/19/407406219.db2.gz ABSRGNKXCYZXOG-UHFFFAOYSA-N 1 1 303.322 1.022 20 5 DDBDMO C[N@@H+](CCn1cccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000111280690 407406220 /nfs/dbraw/zinc/40/62/20/407406220.db2.gz ABSRGNKXCYZXOG-UHFFFAOYSA-N 1 1 303.322 1.022 20 5 DDBDMO COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806947 407465102 /nfs/dbraw/zinc/46/51/02/407465102.db2.gz OZBGLTRGPAWGJB-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806947 407465108 /nfs/dbraw/zinc/46/51/08/407465108.db2.gz OZBGLTRGPAWGJB-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H]([C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000113257608 407482057 /nfs/dbraw/zinc/48/20/57/407482057.db2.gz KXEYFDPZQHLKTI-NWDGAFQWSA-N 1 1 314.407 1.891 20 5 DDBDMO C[C@H]([C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000113257608 407482061 /nfs/dbraw/zinc/48/20/61/407482061.db2.gz KXEYFDPZQHLKTI-NWDGAFQWSA-N 1 1 314.407 1.891 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000271347254 407648624 /nfs/dbraw/zinc/64/86/24/407648624.db2.gz PGOWBHLFANAJPY-MFKMUULPSA-N 1 1 310.350 1.815 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000115433354 407679345 /nfs/dbraw/zinc/67/93/45/407679345.db2.gz SPZKTZXODZYNCI-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000179338561 407770971 /nfs/dbraw/zinc/77/09/71/407770971.db2.gz KGDKJGXCIKJHIH-FZMZJTMJSA-N 1 1 315.333 1.493 20 5 DDBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1C1CC1 ZINC000133535609 407855896 /nfs/dbraw/zinc/85/58/96/407855896.db2.gz DVHHENDGNCALHP-IUCAKERBSA-N 1 1 305.338 1.126 20 5 DDBDMO [NH3+]C[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237958156 407856509 /nfs/dbraw/zinc/85/65/09/407856509.db2.gz BTVIADQPPLBWSP-SNVBAGLBSA-N 1 1 303.322 1.425 20 5 DDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000189470863 408030089 /nfs/dbraw/zinc/03/00/89/408030089.db2.gz HGFSTOHHBJNRQG-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000189470863 408030094 /nfs/dbraw/zinc/03/00/94/408030094.db2.gz HGFSTOHHBJNRQG-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000136089178 408077433 /nfs/dbraw/zinc/07/74/33/408077433.db2.gz WMRPGBCLQAPHNP-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136089178 408077436 /nfs/dbraw/zinc/07/74/36/408077436.db2.gz WMRPGBCLQAPHNP-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136089178 408077443 /nfs/dbraw/zinc/07/74/43/408077443.db2.gz WMRPGBCLQAPHNP-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO Cc1nc2sccn2c1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000268516161 408079136 /nfs/dbraw/zinc/07/91/36/408079136.db2.gz YFSBWCCQVNCTAH-UHFFFAOYSA-N 1 1 320.378 1.941 20 5 DDBDMO Cc1nc2sccn2c1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000268516161 408079148 /nfs/dbraw/zinc/07/91/48/408079148.db2.gz YFSBWCCQVNCTAH-UHFFFAOYSA-N 1 1 320.378 1.941 20 5 DDBDMO COCCO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000189732403 408093606 /nfs/dbraw/zinc/09/36/06/408093606.db2.gz NVKKFGSPSKVGRQ-LBPRGKRZSA-N 1 1 321.333 1.973 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000189732403 408093614 /nfs/dbraw/zinc/09/36/14/408093614.db2.gz NVKKFGSPSKVGRQ-LBPRGKRZSA-N 1 1 321.333 1.973 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000136330825 408097433 /nfs/dbraw/zinc/09/74/33/408097433.db2.gz GTLRIYNNDSIICG-GUTXKFCHSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189571658 408054748 /nfs/dbraw/zinc/05/47/48/408054748.db2.gz IGDURHQZAHBJBW-IOASZLSFSA-N 1 1 323.393 1.015 20 5 DDBDMO C[N@H+](C[C@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246047169 408129527 /nfs/dbraw/zinc/12/95/27/408129527.db2.gz UIOMHPVRAMROAO-CABCVRRESA-N 1 1 319.361 1.811 20 5 DDBDMO C[N@@H+](C[C@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246047169 408129535 /nfs/dbraw/zinc/12/95/35/408129535.db2.gz UIOMHPVRAMROAO-CABCVRRESA-N 1 1 319.361 1.811 20 5 DDBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1CCC[NH+]1CCOCC1 ZINC000268637218 408133033 /nfs/dbraw/zinc/13/30/33/408133033.db2.gz RMCPYZUJVSGOBR-UHFFFAOYSA-N 1 1 301.730 1.132 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000155298936 408148011 /nfs/dbraw/zinc/14/80/11/408148011.db2.gz JJRXOVWENRUESK-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246284918 408204026 /nfs/dbraw/zinc/20/40/26/408204026.db2.gz XESUDVFLGSKCDT-WDEREUQCSA-N 1 1 322.365 1.236 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246479686 408265916 /nfs/dbraw/zinc/26/59/16/408265916.db2.gz PJIQFBCQLYHMJI-WCQYABFASA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000246756433 408333042 /nfs/dbraw/zinc/33/30/42/408333042.db2.gz BPZHPKOFDGUVHB-SWLSCSKDSA-N 1 1 305.378 1.982 20 5 DDBDMO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000133103250 162050554 /nfs/dbraw/zinc/05/05/54/162050554.db2.gz BMQRJIFJLYYFPX-AWEZNQCLSA-N 1 1 309.322 1.205 20 5 DDBDMO CSCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000138267361 162129534 /nfs/dbraw/zinc/12/95/34/162129534.db2.gz NJACUIKPGLEGIZ-UHFFFAOYSA-N 1 1 309.391 1.779 20 5 DDBDMO CSCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000138267361 162129537 /nfs/dbraw/zinc/12/95/37/162129537.db2.gz NJACUIKPGLEGIZ-UHFFFAOYSA-N 1 1 309.391 1.779 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCC1 ZINC000264134066 408374702 /nfs/dbraw/zinc/37/47/02/408374702.db2.gz FJORQDCWZPSQOJ-UHFFFAOYSA-N 1 1 324.356 1.920 20 5 DDBDMO Cc1cc(N[C@H](C)CCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000274526533 408439297 /nfs/dbraw/zinc/43/92/97/408439297.db2.gz XSVCGDVLLBPTMK-CYBMUJFWSA-N 1 1 307.398 1.736 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247598783 408498150 /nfs/dbraw/zinc/49/81/50/408498150.db2.gz OVSZKHUTDFOXHO-VHDGCEQUSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247598783 408498154 /nfs/dbraw/zinc/49/81/54/408498154.db2.gz OVSZKHUTDFOXHO-VHDGCEQUSA-N 1 1 324.377 1.834 20 5 DDBDMO COCC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000270406897 408521248 /nfs/dbraw/zinc/52/12/48/408521248.db2.gz WSFVHUOIUSNFLI-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176876398 408464761 /nfs/dbraw/zinc/46/47/61/408464761.db2.gz KFXVWTYDKGJOED-UHFFFAOYSA-N 1 1 317.349 1.892 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191666763 408468618 /nfs/dbraw/zinc/46/86/18/408468618.db2.gz ALUDMJDUYGUVBR-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000248465298 408573182 /nfs/dbraw/zinc/57/31/82/408573182.db2.gz RLDNYIMREMTOMM-NWDGAFQWSA-N 1 1 312.391 1.772 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248466415 408573392 /nfs/dbraw/zinc/57/33/92/408573392.db2.gz SIPZURBNOKEKJI-ZIAGYGMSSA-N 1 1 324.377 1.693 20 5 DDBDMO CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000177316555 408580207 /nfs/dbraw/zinc/58/02/07/408580207.db2.gz IKDQWPZEZDBBIV-UHFFFAOYSA-N 1 1 308.334 1.808 20 5 DDBDMO COc1cc(C[NH2+]CC2(N(C)C)CCC2)c([N+](=O)[O-])cc1O ZINC000275630365 408626853 /nfs/dbraw/zinc/62/68/53/408626853.db2.gz PYRGDWPTGCEGDQ-UHFFFAOYSA-N 1 1 309.366 1.883 20 5 DDBDMO CC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270684896 408637119 /nfs/dbraw/zinc/63/71/19/408637119.db2.gz APVLWAYOKNWEDO-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000275884239 408708880 /nfs/dbraw/zinc/70/88/80/408708880.db2.gz QUNPCJZDGLVNBE-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000275884239 408708889 /nfs/dbraw/zinc/70/88/89/408708889.db2.gz QUNPCJZDGLVNBE-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CC[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177789091 408713479 /nfs/dbraw/zinc/71/34/79/408713479.db2.gz LTXOLJLUKDMAAT-CABCVRRESA-N 1 1 321.377 1.883 20 5 DDBDMO CC[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177789091 408713484 /nfs/dbraw/zinc/71/34/84/408713484.db2.gz LTXOLJLUKDMAAT-CABCVRRESA-N 1 1 321.377 1.883 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000270900175 408732909 /nfs/dbraw/zinc/73/29/09/408732909.db2.gz MKEAOHQIRUNWSD-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185371905 408801028 /nfs/dbraw/zinc/80/10/28/408801028.db2.gz SVDXINWJTKOVKD-CYBMUJFWSA-N 1 1 309.366 1.533 20 5 DDBDMO C[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177984606 408749684 /nfs/dbraw/zinc/74/96/84/408749684.db2.gz FFSCZOLLSZKKHY-UKRRQHHQSA-N 1 1 305.334 1.157 20 5 DDBDMO C[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177984606 408749688 /nfs/dbraw/zinc/74/96/88/408749688.db2.gz FFSCZOLLSZKKHY-UKRRQHHQSA-N 1 1 305.334 1.157 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126389 408763540 /nfs/dbraw/zinc/76/35/40/408763540.db2.gz NDDLCHFPWBEEST-BIBXISHDSA-N 1 1 300.380 1.672 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000249860316 408769402 /nfs/dbraw/zinc/76/94/02/408769402.db2.gz QGRODJJMIDXFSI-GHMZBOCLSA-N 1 1 322.365 1.546 20 5 DDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285853550 408876641 /nfs/dbraw/zinc/87/66/41/408876641.db2.gz QHPFRHDJNVXVLC-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000285872558 408880451 /nfs/dbraw/zinc/88/04/51/408880451.db2.gz RLCNJFFXPORUHD-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000276288049 408829542 /nfs/dbraw/zinc/82/95/42/408829542.db2.gz HDFFUVQXHVMMOJ-AWEZNQCLSA-N 1 1 323.368 1.888 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000276288049 408829546 /nfs/dbraw/zinc/82/95/46/408829546.db2.gz HDFFUVQXHVMMOJ-AWEZNQCLSA-N 1 1 323.368 1.888 20 5 DDBDMO C[N@H+](CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281777437 408927535 /nfs/dbraw/zinc/92/75/35/408927535.db2.gz JAEYHFIIOZZIAM-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO C[N@@H+](CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281777437 408927537 /nfs/dbraw/zinc/92/75/37/408927537.db2.gz JAEYHFIIOZZIAM-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1C ZINC000191735213 163200570 /nfs/dbraw/zinc/20/05/70/163200570.db2.gz OWKSMNCDOWBLGY-UHFFFAOYSA-N 1 1 309.366 1.982 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000286253077 408949534 /nfs/dbraw/zinc/94/95/34/408949534.db2.gz IVIYAXOHVIJSHQ-PWSUYJOCSA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277456013 408943495 /nfs/dbraw/zinc/94/34/95/408943495.db2.gz GORMHWORVGJFFC-LLVKDONJSA-N 1 1 307.354 1.373 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)n1 ZINC000291925582 408945800 /nfs/dbraw/zinc/94/58/00/408945800.db2.gz SNFSXELCUPSXFU-MRXNPFEDSA-N 1 1 316.361 1.427 20 5 DDBDMO C[C@@H](C[NH+](C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286299170 408959093 /nfs/dbraw/zinc/95/90/93/408959093.db2.gz GBFCSJKFCQNDKR-ZETCQYMHSA-N 1 1 307.397 1.422 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286410660 408980506 /nfs/dbraw/zinc/98/05/06/408980506.db2.gz ASKCDFXAJYSORA-GFCCVEGCSA-N 1 1 310.329 1.486 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](C2CCC2)C1 ZINC000292256956 409010910 /nfs/dbraw/zinc/01/09/10/409010910.db2.gz FDGCEOTWDHSOGU-NSHDSACASA-N 1 1 306.366 1.869 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762892 409176499 /nfs/dbraw/zinc/17/64/99/409176499.db2.gz PDSGYYYLJNBECO-OLZOCXBDSA-N 1 1 321.425 1.464 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCc2occc2C1 ZINC000288775745 409177817 /nfs/dbraw/zinc/17/78/17/409177817.db2.gz JYJULMKTQULASR-UHFFFAOYSA-N 1 1 303.318 1.798 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C2CC2)O1 ZINC000279453518 409217333 /nfs/dbraw/zinc/21/73/33/409217333.db2.gz ZQIHUAFFVWWTJW-RISCZKNCSA-N 1 1 307.350 1.256 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C2CC2)O1 ZINC000279453518 409217335 /nfs/dbraw/zinc/21/73/35/409217335.db2.gz ZQIHUAFFVWWTJW-RISCZKNCSA-N 1 1 307.350 1.256 20 5 DDBDMO C[C@@H]1Cc2[nH+]cn(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2C[C@@H]1C ZINC000295067195 409312668 /nfs/dbraw/zinc/31/26/68/409312668.db2.gz CGWUPRPRYITLLO-MDZLAQPJSA-N 1 1 319.365 1.420 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000284887887 409369133 /nfs/dbraw/zinc/36/91/33/409369133.db2.gz GWNNXUMCCNJIDR-ZIAGYGMSSA-N 1 1 317.349 1.380 20 5 DDBDMO CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280507543 409332672 /nfs/dbraw/zinc/33/26/72/409332672.db2.gz JOMWVKAWFBWEJC-UHFFFAOYSA-N 1 1 307.350 1.446 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296075454 409421261 /nfs/dbraw/zinc/42/12/61/409421261.db2.gz CYMPETPSDHLOHQ-ZDUSSCGKSA-N 1 1 322.365 1.563 20 5 DDBDMO CS[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296088580 409425818 /nfs/dbraw/zinc/42/58/18/409425818.db2.gz CWKSVTLHCDNBCK-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721289 409425720 /nfs/dbraw/zinc/42/57/20/409425720.db2.gz IAYJDADTFAWPQV-UKRRQHHQSA-N 1 1 307.350 1.086 20 5 DDBDMO CS[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000296088580 409425820 /nfs/dbraw/zinc/42/58/20/409425820.db2.gz CWKSVTLHCDNBCK-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000324174993 164049901 /nfs/dbraw/zinc/04/99/01/164049901.db2.gz WFYGKBDOCUKSOM-CQSZACIVSA-N 1 1 317.349 1.308 20 5 DDBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC000408069488 164217235 /nfs/dbraw/zinc/21/72/35/164217235.db2.gz BVJUOJIYYHSDGS-MNOVXSKESA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC000408069488 164217236 /nfs/dbraw/zinc/21/72/36/164217236.db2.gz BVJUOJIYYHSDGS-MNOVXSKESA-N 1 1 309.370 1.077 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296311655 409500354 /nfs/dbraw/zinc/50/03/54/409500354.db2.gz OEVHPXSPBSAWDC-MRXNPFEDSA-N 1 1 322.361 1.915 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000305706020 409761884 /nfs/dbraw/zinc/76/18/84/409761884.db2.gz CVNOBPXPYNZQAL-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000305706020 409761889 /nfs/dbraw/zinc/76/18/89/409761889.db2.gz CVNOBPXPYNZQAL-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO C[NH+](C)CC(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000308674530 409784957 /nfs/dbraw/zinc/78/49/57/409784957.db2.gz HEOSEOAYZDTOQG-UHFFFAOYSA-N 1 1 319.358 1.352 20 5 DDBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]cc2Br)c1 ZINC000342693338 409816924 /nfs/dbraw/zinc/81/69/24/409816924.db2.gz UCNPDTALOQHFKJ-UHFFFAOYSA-N 1 1 312.127 1.483 20 5 DDBDMO O=C([C@H]1CC[NH2+]CC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000342758495 409883726 /nfs/dbraw/zinc/88/37/26/409883726.db2.gz XMEWIDYOTRAFNV-SNVBAGLBSA-N 1 1 311.288 1.729 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1=CC[N@@H+](C)CC1 ZINC000354566601 409943227 /nfs/dbraw/zinc/94/32/27/409943227.db2.gz CYZIELYSEBSPCK-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000298213725 410135521 /nfs/dbraw/zinc/13/55/21/410135521.db2.gz XVUIDSPRGBERSJ-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343199625 410227345 /nfs/dbraw/zinc/22/73/45/410227345.db2.gz FGOXMKVNQWHRGP-GRYCIOLGSA-N 1 1 321.381 1.795 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000351779758 410228764 /nfs/dbraw/zinc/22/87/64/410228764.db2.gz KJRSNMHUEZBJHK-CABZTGNLSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000351779758 410228769 /nfs/dbraw/zinc/22/87/69/410228769.db2.gz KJRSNMHUEZBJHK-CABZTGNLSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCCC[C@@H]1C ZINC000347012138 410311840 /nfs/dbraw/zinc/31/18/40/410311840.db2.gz LSJBRUAPOIIYCR-WDEREUQCSA-N 1 1 309.370 1.321 20 5 DDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339708513 410405958 /nfs/dbraw/zinc/40/59/58/410405958.db2.gz MLPXYUYANZHDBX-ZDUSSCGKSA-N 1 1 321.377 1.951 20 5 DDBDMO COC(=O)COc1ccc(C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000355610125 410606089 /nfs/dbraw/zinc/60/60/89/410606089.db2.gz RBBNJCFMCAVHEF-UHFFFAOYSA-N 1 1 324.333 1.103 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](C)O ZINC000352202348 410543712 /nfs/dbraw/zinc/54/37/12/410543712.db2.gz JHEFRJFPZHOZEO-NSHDSACASA-N 1 1 309.366 1.935 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])no1 ZINC000359432760 410658450 /nfs/dbraw/zinc/65/84/50/410658450.db2.gz BRLRURPJGMSUDR-UHFFFAOYSA-N 1 1 318.333 1.617 20 5 DDBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000348211748 410857499 /nfs/dbraw/zinc/85/74/99/410857499.db2.gz FXNIZQZDTQYCEX-ZDUSSCGKSA-N 1 1 318.377 1.702 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000337578182 410871627 /nfs/dbraw/zinc/87/16/27/410871627.db2.gz HKRGSBGUJKVTCF-UHFFFAOYSA-N 1 1 315.333 1.216 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330679535 410871827 /nfs/dbraw/zinc/87/18/27/410871827.db2.gz XUKXPQRVZUZRBZ-GFCCVEGCSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330679535 410871830 /nfs/dbraw/zinc/87/18/30/410871830.db2.gz XUKXPQRVZUZRBZ-GFCCVEGCSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000330679535 410871836 /nfs/dbraw/zinc/87/18/36/410871836.db2.gz XUKXPQRVZUZRBZ-GFCCVEGCSA-N 1 1 320.393 1.868 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399681 411011315 /nfs/dbraw/zinc/01/13/15/411011315.db2.gz YMXCIWFECXCOBX-RYUDHWBXSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399681 411011318 /nfs/dbraw/zinc/01/13/18/411011318.db2.gz YMXCIWFECXCOBX-RYUDHWBXSA-N 1 1 305.334 1.657 20 5 DDBDMO NC(=O)C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129767312 196074150 /nfs/dbraw/zinc/07/41/50/196074150.db2.gz YODHMBGTTUIASO-UHFFFAOYSA-N 1 1 313.745 1.005 20 5 DDBDMO CCOC(=O)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580286723 422912841 /nfs/dbraw/zinc/91/28/41/422912841.db2.gz RSWYAZLCXLMJFA-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO CCOC(=O)C[N@@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580286723 422912845 /nfs/dbraw/zinc/91/28/45/422912845.db2.gz RSWYAZLCXLMJFA-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134430201 196390643 /nfs/dbraw/zinc/39/06/43/196390643.db2.gz KCHITKAVBHBWOQ-ZDUSSCGKSA-N 1 1 309.366 1.533 20 5 DDBDMO CCOC(=O)c1ccnc(NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000544354066 416656152 /nfs/dbraw/zinc/65/61/52/416656152.db2.gz YSSZQFPKBRHQRA-UHFFFAOYSA-N 1 1 319.321 1.555 20 5 DDBDMO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000419010005 226003622 /nfs/dbraw/zinc/00/36/22/226003622.db2.gz OSMRUPVCSMQINK-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000367888857 418653248 /nfs/dbraw/zinc/65/32/48/418653248.db2.gz ZDBQZLCPIQNPTP-NSHDSACASA-N 1 1 318.377 1.924 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368065795 418683184 /nfs/dbraw/zinc/68/31/84/418683184.db2.gz VDRULCUJLHOEKI-INIZCTEOSA-N 1 1 321.377 1.874 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368065795 418683186 /nfs/dbraw/zinc/68/31/86/418683186.db2.gz VDRULCUJLHOEKI-INIZCTEOSA-N 1 1 321.377 1.874 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000368133899 418694543 /nfs/dbraw/zinc/69/45/43/418694543.db2.gz IDLDZDDNNXPULU-RZFFKMDDSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368133899 418694545 /nfs/dbraw/zinc/69/45/45/418694545.db2.gz IDLDZDDNNXPULU-RZFFKMDDSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000368133899 418694547 /nfs/dbraw/zinc/69/45/47/418694547.db2.gz IDLDZDDNNXPULU-RZFFKMDDSA-N 1 1 303.362 1.288 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CCN2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364666245 418798005 /nfs/dbraw/zinc/79/80/05/418798005.db2.gz ZMMLUCXUNGHDMJ-BETUJISGSA-N 1 1 303.362 1.821 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000297536582 227272530 /nfs/dbraw/zinc/27/25/30/227272530.db2.gz PONAQHYUCGVLNS-LBPRGKRZSA-N 1 1 302.338 1.867 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364933212 418825530 /nfs/dbraw/zinc/82/55/30/418825530.db2.gz LOBNYOKQEAERMX-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO CC1(CNC(=O)[C@H]2CC2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000365564745 418876696 /nfs/dbraw/zinc/87/66/96/418876696.db2.gz NQUKJWWCAIJFKQ-KBPBESRZSA-N 1 1 303.362 1.290 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365668957 418892075 /nfs/dbraw/zinc/89/20/75/418892075.db2.gz FRJSIHHGNJGEEN-OLZOCXBDSA-N 1 1 319.361 1.496 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411916389 419482234 /nfs/dbraw/zinc/48/22/34/419482234.db2.gz YORGXYDTGKKMLP-SWHYSGLUSA-N 1 1 323.349 1.003 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411916389 419482248 /nfs/dbraw/zinc/48/22/48/419482248.db2.gz YORGXYDTGKKMLP-SWHYSGLUSA-N 1 1 323.349 1.003 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000421395093 419597523 /nfs/dbraw/zinc/59/75/23/419597523.db2.gz YBZKIQBEKFOPRZ-JTQLQIEISA-N 1 1 323.349 1.180 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421710518 419696651 /nfs/dbraw/zinc/69/66/51/419696651.db2.gz KZMHHZAJUCLMOH-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421710518 419696656 /nfs/dbraw/zinc/69/66/56/419696656.db2.gz KZMHHZAJUCLMOH-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421710518 419696663 /nfs/dbraw/zinc/69/66/63/419696663.db2.gz KZMHHZAJUCLMOH-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005574 419961870 /nfs/dbraw/zinc/96/18/70/419961870.db2.gz MNMRJNRJCPYETF-AGIUHOORSA-N 1 1 307.398 1.490 20 5 DDBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000429354203 420007651 /nfs/dbraw/zinc/00/76/51/420007651.db2.gz MICGVRSKNSCSTK-ZDUSSCGKSA-N 1 1 307.398 1.598 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]([NH3+])C1CC1 ZINC000423317286 420012174 /nfs/dbraw/zinc/01/21/74/420012174.db2.gz KGMTZPDVIJGKJM-QMTHXVAHSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](N)C1CC1 ZINC000423317286 420012179 /nfs/dbraw/zinc/01/21/79/420012179.db2.gz KGMTZPDVIJGKJM-QMTHXVAHSA-N 1 1 306.366 1.639 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000423676262 420124131 /nfs/dbraw/zinc/12/41/31/420124131.db2.gz FVNBJDKDMOUCIF-AWEZNQCLSA-N 1 1 311.313 1.377 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000431989412 420242348 /nfs/dbraw/zinc/24/23/48/420242348.db2.gz ANOVAQUYDJSSCO-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CN1 ZINC000434754423 420262582 /nfs/dbraw/zinc/26/25/82/420262582.db2.gz GCJZOSAXWFUMPN-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CN1 ZINC000434754423 420262584 /nfs/dbraw/zinc/26/25/84/420262584.db2.gz GCJZOSAXWFUMPN-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416296640 420312676 /nfs/dbraw/zinc/31/26/76/420312676.db2.gz OHTONMABVRRVDZ-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416296640 420312679 /nfs/dbraw/zinc/31/26/79/420312679.db2.gz OHTONMABVRRVDZ-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO C[N@@H+](CCCCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420638878 420339314 /nfs/dbraw/zinc/33/93/14/420339314.db2.gz PNDNNSBDSIYRGV-UHFFFAOYSA-N 1 1 306.366 1.980 20 5 DDBDMO CN1C(=O)NCC12CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000425540274 420413108 /nfs/dbraw/zinc/41/31/08/420413108.db2.gz LGOMSKZNGTYTTD-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450782924 420529876 /nfs/dbraw/zinc/52/98/76/420529876.db2.gz ZHINPYKGAHUIAT-CMPLNLGQSA-N 1 1 320.349 1.225 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457117281 420621802 /nfs/dbraw/zinc/62/18/02/420621802.db2.gz JLRHTFRETXVJKZ-LBPRGKRZSA-N 1 1 321.377 1.296 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000457117281 420621804 /nfs/dbraw/zinc/62/18/04/420621804.db2.gz JLRHTFRETXVJKZ-LBPRGKRZSA-N 1 1 321.377 1.296 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443434347 420752128 /nfs/dbraw/zinc/75/21/28/420752128.db2.gz HSXQHRLMSDOOFJ-JTQLQIEISA-N 1 1 303.322 1.785 20 5 DDBDMO O=C1CO[C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000453578191 420732501 /nfs/dbraw/zinc/73/25/01/420732501.db2.gz UKSZQTFYRKLPCA-SLUZZZFTSA-N 1 1 317.345 1.197 20 5 DDBDMO O=C1CO[C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000453578191 420732505 /nfs/dbraw/zinc/73/25/05/420732505.db2.gz UKSZQTFYRKLPCA-SLUZZZFTSA-N 1 1 317.345 1.197 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449747226 421074598 /nfs/dbraw/zinc/07/45/98/421074598.db2.gz WDVRPGBWWRPORV-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000449747226 421074601 /nfs/dbraw/zinc/07/46/01/421074601.db2.gz WDVRPGBWWRPORV-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455906630 421075350 /nfs/dbraw/zinc/07/53/50/421075350.db2.gz GLAYHKVWDQNKHC-JQWIXIFHSA-N 1 1 321.381 1.490 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000525291527 421284353 /nfs/dbraw/zinc/28/43/53/421284353.db2.gz IIPWSALUPBIWIJ-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000525620060 421294016 /nfs/dbraw/zinc/29/40/16/421294016.db2.gz ZESTYBXVEDMQJH-NXEZZACHSA-N 1 1 321.333 1.536 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000548163375 421406935 /nfs/dbraw/zinc/40/69/35/421406935.db2.gz PSXUTSHTCUFLOD-UHFFFAOYSA-N 1 1 323.397 1.521 20 5 DDBDMO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000549189195 421496815 /nfs/dbraw/zinc/49/68/15/421496815.db2.gz BEUGNSLVFWJYBU-QWRGUYRKSA-N 1 1 321.381 1.701 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531630420 421639696 /nfs/dbraw/zinc/63/96/96/421639696.db2.gz XPJKPIPHENEIJL-GFCCVEGCSA-N 1 1 306.366 1.840 20 5 DDBDMO CN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000571225100 421698274 /nfs/dbraw/zinc/69/82/74/421698274.db2.gz SQHQITDMTLNZJF-MRXNPFEDSA-N 1 1 318.421 1.809 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000571577376 421727394 /nfs/dbraw/zinc/72/73/94/421727394.db2.gz OWLBBQTYIFDNEC-WDEREUQCSA-N 1 1 318.377 1.992 20 5 DDBDMO O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccc([N+](=O)[O-])cc1 ZINC000537583536 421733111 /nfs/dbraw/zinc/73/31/11/421733111.db2.gz YJCKMWWYTOXFST-UHFFFAOYSA-N 1 1 314.345 1.987 20 5 DDBDMO CC[NH2+]CCCN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574799845 422183460 /nfs/dbraw/zinc/18/34/60/422183460.db2.gz LLIIWLOEVRVWOA-GFCCVEGCSA-N 1 1 308.382 1.901 20 5 DDBDMO CC1(C)C[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000179294862 263357935 /nfs/dbraw/zinc/35/79/35/263357935.db2.gz LDOZYYOMTQHZEW-UHFFFAOYSA-N 1 1 320.353 1.160 20 5 DDBDMO CC1(C)C[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000179294862 263357939 /nfs/dbraw/zinc/35/79/39/263357939.db2.gz LDOZYYOMTQHZEW-UHFFFAOYSA-N 1 1 320.353 1.160 20 5 DDBDMO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342362543 271390123 /nfs/dbraw/zinc/39/01/23/271390123.db2.gz MDBOABJUIFRCJJ-LLVKDONJSA-N 1 1 308.338 1.107 20 5 DDBDMO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342362543 271390124 /nfs/dbraw/zinc/39/01/24/271390124.db2.gz MDBOABJUIFRCJJ-LLVKDONJSA-N 1 1 308.338 1.107 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000266221132 273747474 /nfs/dbraw/zinc/74/74/74/273747474.db2.gz QNWSYLWHHSNBDB-LLVKDONJSA-N 1 1 324.337 1.396 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247104506 277070194 /nfs/dbraw/zinc/07/01/94/277070194.db2.gz SOPMXKQHYALAQB-CHWSQXEVSA-N 1 1 318.377 1.614 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285012782 277130030 /nfs/dbraw/zinc/13/00/30/277130030.db2.gz MKUFLZVNNGCLAT-RYUDHWBXSA-N 1 1 312.757 1.553 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279763102 278262900 /nfs/dbraw/zinc/26/29/00/278262900.db2.gz RSTWUHWVSBAOHP-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO CC[C@@H](CO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000275867071 280150573 /nfs/dbraw/zinc/15/05/73/280150573.db2.gz JMKGGUFHADQMEI-GXTWGEPZSA-N 1 1 304.350 1.778 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000075889608 280363031 /nfs/dbraw/zinc/36/30/31/280363031.db2.gz FDPURMBQYBJYJV-QGZVFWFLSA-N 1 1 319.405 1.934 20 5 DDBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054371031 288319755 /nfs/dbraw/zinc/31/97/55/288319755.db2.gz KINBDDOBPHTGDM-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000130948447 281400069 /nfs/dbraw/zinc/40/00/69/281400069.db2.gz QYDVNICIAQGITE-GHMZBOCLSA-N 1 1 313.379 1.107 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000247232108 282040048 /nfs/dbraw/zinc/04/00/48/282040048.db2.gz ZJFCKPPYVIDVQI-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270929682 290386287 /nfs/dbraw/zinc/38/62/87/290386287.db2.gz DYGWHWRHOCJMIW-LBPRGKRZSA-N 1 1 323.397 1.713 20 5 DDBDMO NC(=O)c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000271645938 295181240 /nfs/dbraw/zinc/18/12/40/295181240.db2.gz QUSPMUOHVSQCMD-LLVKDONJSA-N 1 1 315.333 1.801 20 5 DDBDMO Cc1c(CNC(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000354288237 298392879 /nfs/dbraw/zinc/39/28/79/298392879.db2.gz XCXYQTKNIDGOFN-UHFFFAOYSA-N 1 1 318.377 1.964 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362077780 300001408 /nfs/dbraw/zinc/00/14/08/300001408.db2.gz ONVIWAJOJUSOJD-QWHCGFSZSA-N 1 1 321.377 1.792 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[C@H](C)C1 ZINC000362153845 300017850 /nfs/dbraw/zinc/01/78/50/300017850.db2.gz GIWMKFKJKPWSKO-KBPBESRZSA-N 1 1 323.393 1.894 20 5 DDBDMO Cn1nccc1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000363327062 300251713 /nfs/dbraw/zinc/25/17/13/300251713.db2.gz IZAHKWPCXLDNTJ-GFCCVEGCSA-N 1 1 304.354 1.404 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497260 301041216 /nfs/dbraw/zinc/04/12/16/301041216.db2.gz XBSQUIIMJXFIBB-KLHDSHLOSA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497260 301041218 /nfs/dbraw/zinc/04/12/18/301041218.db2.gz XBSQUIIMJXFIBB-KLHDSHLOSA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497260 301041222 /nfs/dbraw/zinc/04/12/22/301041222.db2.gz XBSQUIIMJXFIBB-KLHDSHLOSA-N 1 1 317.389 1.851 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCOCC2)O1 ZINC000369292589 301158632 /nfs/dbraw/zinc/15/86/32/301158632.db2.gz GDLIVUHXJUAXHD-GFCCVEGCSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369996421 301254989 /nfs/dbraw/zinc/25/49/89/301254989.db2.gz LWPDTHMDDJCBQP-CYBMUJFWSA-N 1 1 304.354 1.543 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000370067031 301269858 /nfs/dbraw/zinc/26/98/58/301269858.db2.gz WIPZSVJFYJJEOY-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000370067031 301269861 /nfs/dbraw/zinc/26/98/61/301269861.db2.gz WIPZSVJFYJJEOY-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000370067031 301269862 /nfs/dbraw/zinc/26/98/62/301269862.db2.gz WIPZSVJFYJJEOY-UHFFFAOYSA-N 1 1 323.397 1.684 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377604871 302197127 /nfs/dbraw/zinc/19/71/27/302197127.db2.gz JTLIBOBPEWBVQI-QWRGUYRKSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377604871 302197131 /nfs/dbraw/zinc/19/71/31/302197131.db2.gz JTLIBOBPEWBVQI-QWRGUYRKSA-N 1 1 320.349 1.119 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000377661492 302206130 /nfs/dbraw/zinc/20/61/30/302206130.db2.gz GNNGYDXFCZPOAH-AWEZNQCLSA-N 1 1 307.350 1.320 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000534124073 303326668 /nfs/dbraw/zinc/32/66/68/303326668.db2.gz IPTHARMFQMWRTJ-LBPRGKRZSA-N 1 1 324.381 1.346 20 5 DDBDMO Cc1n[nH]c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535072339 303344158 /nfs/dbraw/zinc/34/41/58/303344158.db2.gz KELVJMGLMCWTDM-UHFFFAOYSA-N 1 1 316.365 1.652 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254137 307015602 /nfs/dbraw/zinc/01/56/02/307015602.db2.gz BOCBYPWNTBCYJH-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000364485933 307046455 /nfs/dbraw/zinc/04/64/55/307046455.db2.gz SKMBJLXENRHXNE-RRFJBIMHSA-N 1 1 309.410 1.622 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000367142501 307087104 /nfs/dbraw/zinc/08/71/04/307087104.db2.gz XKUSYUFGUVJORP-CHWSQXEVSA-N 1 1 307.350 1.115 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017390 307114490 /nfs/dbraw/zinc/11/44/90/307114490.db2.gz OIDFLILIDQXYMR-KBPBESRZSA-N 1 1 307.398 1.913 20 5 DDBDMO O=[N+]([O-])c1c(N[C@H]2CCc3[nH+]c[nH]c3C2)nc2sccn21 ZINC000370861360 307138625 /nfs/dbraw/zinc/13/86/25/307138625.db2.gz MUEURBKEJDHIKI-ZETCQYMHSA-N 1 1 304.335 1.997 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000373973119 307198766 /nfs/dbraw/zinc/19/87/66/307198766.db2.gz BBAQTIDEPAXKDX-ZDUSSCGKSA-N 1 1 323.393 1.492 20 5 DDBDMO Cc1cc(N2CCC[N@@H+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000374221225 307204180 /nfs/dbraw/zinc/20/41/80/307204180.db2.gz VUFLQPNPVRIEEB-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO Cc1cc(N2CCC[N@H+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000374221225 307204181 /nfs/dbraw/zinc/20/41/81/307204181.db2.gz VUFLQPNPVRIEEB-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376875151 307257495 /nfs/dbraw/zinc/25/74/95/307257495.db2.gz ILLOSPNNURBPIE-QWRGUYRKSA-N 1 1 305.338 1.160 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000378496201 307289945 /nfs/dbraw/zinc/28/99/45/307289945.db2.gz MSWJLAFXDJTAKL-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000548717168 307788606 /nfs/dbraw/zinc/78/86/06/307788606.db2.gz GJVDQNRGMRQEDK-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO CN(CCC[NH3+])Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000567864663 308098878 /nfs/dbraw/zinc/09/88/78/308098878.db2.gz HLOHDEMSLGZGKT-UHFFFAOYSA-N 1 1 303.366 1.776 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000576883445 308346831 /nfs/dbraw/zinc/34/68/31/308346831.db2.gz WUYLIBULGGRKFA-GFCCVEGCSA-N 1 1 301.350 1.751 20 5 DDBDMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000579190161 308512842 /nfs/dbraw/zinc/51/28/42/308512842.db2.gz XUMVAABHFCKZEQ-CYBMUJFWSA-N 1 1 321.377 1.537 20 5 DDBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000348325731 490749009 /nfs/dbraw/zinc/74/90/09/490749009.db2.gz RRHXOUIKNBLNMG-VIFPVBQESA-N 1 1 303.322 1.278 20 5 DDBDMO CCOc1cccc(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001120809511 782157664 /nfs/dbraw/zinc/15/76/64/782157664.db2.gz LQZKHXRRBNDCBJ-UHFFFAOYSA-N 1 1 322.365 1.179 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO ZINC000444686809 534073306 /nfs/dbraw/zinc/07/33/06/534073306.db2.gz UEMOKZFSLIMOIA-UWVGGRQHSA-N 1 1 308.338 1.035 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO ZINC000444686809 534073311 /nfs/dbraw/zinc/07/33/11/534073311.db2.gz UEMOKZFSLIMOIA-UWVGGRQHSA-N 1 1 308.338 1.035 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731809 534361426 /nfs/dbraw/zinc/36/14/26/534361426.db2.gz ORGDMNPVXXSNTO-VXGBXAGGSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731809 534361435 /nfs/dbraw/zinc/36/14/35/534361435.db2.gz ORGDMNPVXXSNTO-VXGBXAGGSA-N 1 1 322.365 1.514 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC000302005400 534426410 /nfs/dbraw/zinc/42/64/10/534426410.db2.gz UONNHDRLQGKZFB-SNVBAGLBSA-N 1 1 312.395 1.656 20 5 DDBDMO CCOCC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657232 528870360 /nfs/dbraw/zinc/87/03/60/528870360.db2.gz KBVXXSFWOBKWDQ-JSGCOSHPSA-N 1 1 324.381 1.264 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452113998 529076170 /nfs/dbraw/zinc/07/61/70/529076170.db2.gz JGHZCYWSYVLCPB-ZDUSSCGKSA-N 1 1 308.382 1.171 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCN(c2[nH+]ccn2C)CC1 ZINC000747221953 700060532 /nfs/dbraw/zinc/06/05/32/700060532.db2.gz HOHVSRCZQSWJDA-UHFFFAOYSA-N 1 1 301.350 1.963 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CC[NH+](Cc2cccs2)CC1 ZINC000047252714 696195813 /nfs/dbraw/zinc/19/58/13/696195813.db2.gz BNLOXEKIFWOGDV-UHFFFAOYSA-N 1 1 307.379 1.628 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000157113014 696973513 /nfs/dbraw/zinc/97/35/13/696973513.db2.gz DUFYZDXDEGYNQL-UHFFFAOYSA-N 1 1 317.342 1.108 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000157906857 696982647 /nfs/dbraw/zinc/98/26/47/696982647.db2.gz QSWSDVLYGBYIRR-TZMCWYRMSA-N 1 1 305.382 1.698 20 5 DDBDMO CCn1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749691065 700177682 /nfs/dbraw/zinc/17/76/82/700177682.db2.gz PCELMWDULYIJQR-HNNXBMFYSA-N 1 1 304.350 1.977 20 5 DDBDMO CON(C)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000774640440 697905351 /nfs/dbraw/zinc/90/53/51/697905351.db2.gz TVZQRMNFXZLGII-UHFFFAOYSA-N 1 1 323.349 1.458 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000776587551 698122513 /nfs/dbraw/zinc/12/25/13/698122513.db2.gz WKDIXBLAYNSSMY-OAHLLOKOSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000776587551 698122514 /nfs/dbraw/zinc/12/25/14/698122514.db2.gz WKDIXBLAYNSSMY-OAHLLOKOSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000776593582 698124031 /nfs/dbraw/zinc/12/40/31/698124031.db2.gz YDZBOTWCCZXDSQ-NWDGAFQWSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000776593582 698124034 /nfs/dbraw/zinc/12/40/34/698124034.db2.gz YDZBOTWCCZXDSQ-NWDGAFQWSA-N 1 1 320.267 1.627 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676957 699237767 /nfs/dbraw/zinc/23/77/67/699237767.db2.gz BLUNENGNZDEQNR-MFKMUULPSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676957 699237768 /nfs/dbraw/zinc/23/77/68/699237768.db2.gz BLUNENGNZDEQNR-MFKMUULPSA-N 1 1 300.742 1.566 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000788381823 699310035 /nfs/dbraw/zinc/31/00/35/699310035.db2.gz IFTHJMYXEBRBSU-HNNXBMFYSA-N 1 1 315.333 1.114 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC000789955456 699425232 /nfs/dbraw/zinc/42/52/32/699425232.db2.gz OUDYDADAMZPDGF-SNVBAGLBSA-N 1 1 310.310 1.539 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(C)C ZINC000801898019 700350980 /nfs/dbraw/zinc/35/09/80/700350980.db2.gz LYHAAVQOCOUZTB-UHFFFAOYSA-N 1 1 312.345 1.776 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801911957 700352104 /nfs/dbraw/zinc/35/21/04/700352104.db2.gz WNCUUOLZMFWUOS-DTWKUNHWSA-N 1 1 310.329 1.529 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801934919 700357266 /nfs/dbraw/zinc/35/72/66/700357266.db2.gz SSQPQBGYBXLIFK-VHSXEESVSA-N 1 1 324.356 1.871 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000761072087 700839258 /nfs/dbraw/zinc/83/92/58/700839258.db2.gz DPSALZQHGCTENT-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761072087 700839259 /nfs/dbraw/zinc/83/92/59/700839259.db2.gz DPSALZQHGCTENT-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000761072087 700839261 /nfs/dbraw/zinc/83/92/61/700839261.db2.gz DPSALZQHGCTENT-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804429193 701188288 /nfs/dbraw/zinc/18/82/88/701188288.db2.gz ABKLQHRPAOHRSU-JTQLQIEISA-N 1 1 310.310 1.006 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804442356 701190613 /nfs/dbraw/zinc/19/06/13/701190613.db2.gz VOSTUYPDQLAFDV-JTQLQIEISA-N 1 1 310.310 1.636 20 5 DDBDMO C[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000804477497 701193243 /nfs/dbraw/zinc/19/32/43/701193243.db2.gz VCVBYSVBIAGIMS-NSHDSACASA-N 1 1 324.337 1.883 20 5 DDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768886982 701214032 /nfs/dbraw/zinc/21/40/32/701214032.db2.gz FUSQRYXEKDFXHS-UHFFFAOYSA-N 1 1 317.392 1.197 20 5 DDBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccncc1[N+](=O)[O-] ZINC000808011960 701494301 /nfs/dbraw/zinc/49/43/01/701494301.db2.gz AIOOMBJYQMUBOW-UHFFFAOYSA-N 1 1 310.317 1.913 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808227725 701509669 /nfs/dbraw/zinc/50/96/69/701509669.db2.gz CVNTUCVBWQKXFN-JTQLQIEISA-N 1 1 303.322 1.099 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839726122 701798883 /nfs/dbraw/zinc/79/88/83/701798883.db2.gz MQUNQWXRHKLCGR-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867985417 701874110 /nfs/dbraw/zinc/87/41/10/701874110.db2.gz CPQVMESUOFVANX-UHOFOFEASA-N 1 1 319.361 1.264 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000812332548 702156274 /nfs/dbraw/zinc/15/62/74/702156274.db2.gz JUGUFEHFOSZAPX-QWHCGFSZSA-N 1 1 319.361 1.627 20 5 DDBDMO Cc1cc(NCC(=O)N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000812457011 702183513 /nfs/dbraw/zinc/18/35/13/702183513.db2.gz AUMDESMHEFLISY-UHFFFAOYSA-N 1 1 310.329 1.228 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@@H]21 ZINC000866209021 706649231 /nfs/dbraw/zinc/64/92/31/706649231.db2.gz NEVSYRSBRFUYLY-MFKMUULPSA-N 1 1 309.341 1.757 20 5 DDBDMO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000879334370 706652856 /nfs/dbraw/zinc/65/28/56/706652856.db2.gz KBSHRCVTRABWJR-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000879334370 706652857 /nfs/dbraw/zinc/65/28/57/706652857.db2.gz KBSHRCVTRABWJR-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840964957 702296285 /nfs/dbraw/zinc/29/62/85/702296285.db2.gz UIFKASNUHBSTLV-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000844052224 702963380 /nfs/dbraw/zinc/96/33/80/702963380.db2.gz VDCJTSMOOIPQNC-APIJFGDWSA-N 1 1 303.362 1.113 20 5 DDBDMO C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000844052224 702963381 /nfs/dbraw/zinc/96/33/81/702963381.db2.gz VDCJTSMOOIPQNC-APIJFGDWSA-N 1 1 303.362 1.113 20 5 DDBDMO C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000844052224 702963382 /nfs/dbraw/zinc/96/33/82/702963382.db2.gz VDCJTSMOOIPQNC-APIJFGDWSA-N 1 1 303.362 1.113 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000819039568 704056755 /nfs/dbraw/zinc/05/67/55/704056755.db2.gz RWDVJMDVCPPHRG-GDBMZVCRSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000819039568 704056757 /nfs/dbraw/zinc/05/67/57/704056757.db2.gz RWDVJMDVCPPHRG-GDBMZVCRSA-N 1 1 305.378 1.702 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870861546 704147978 /nfs/dbraw/zinc/14/79/78/704147978.db2.gz BPPDIXCZNGWPER-HIFRSBDPSA-N 1 1 307.350 1.406 20 5 DDBDMO C[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871157339 704233684 /nfs/dbraw/zinc/23/36/84/704233684.db2.gz LTKPCXCQNAHSMK-AWEZNQCLSA-N 1 1 321.377 1.571 20 5 DDBDMO Cc1nn(C[N@@H+](C)CC2CN(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853553662 704267158 /nfs/dbraw/zinc/26/71/58/704267158.db2.gz RLGDQBYYCGYSGW-UHFFFAOYSA-N 1 1 304.354 1.099 20 5 DDBDMO Cc1nn(C[N@H+](C)CC2CN(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853553662 704267160 /nfs/dbraw/zinc/26/71/60/704267160.db2.gz RLGDQBYYCGYSGW-UHFFFAOYSA-N 1 1 304.354 1.099 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000853559585 704269712 /nfs/dbraw/zinc/26/97/12/704269712.db2.gz ZRYCSAWTVAASGR-CYBMUJFWSA-N 1 1 320.349 1.558 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@H]2COCCO2)c2ccc([N+](=O)[O-])cc12 ZINC000853559585 704269717 /nfs/dbraw/zinc/26/97/17/704269717.db2.gz ZRYCSAWTVAASGR-CYBMUJFWSA-N 1 1 320.349 1.558 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000854736990 704446183 /nfs/dbraw/zinc/44/61/83/704446183.db2.gz LYOMOEWBTJYUQY-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000822635019 704993512 /nfs/dbraw/zinc/99/35/12/704993512.db2.gz NIHXJYUIZDOBAQ-SECBINFHSA-N 1 1 321.293 1.180 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000822808413 705046096 /nfs/dbraw/zinc/04/60/96/705046096.db2.gz SQASKWHVTBSICF-NSHDSACASA-N 1 1 320.305 1.906 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874840449 705195586 /nfs/dbraw/zinc/19/55/86/705195586.db2.gz OBJVCMICRZAPKI-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823468834 705250307 /nfs/dbraw/zinc/25/03/07/705250307.db2.gz LIBKLMXKOFIXLQ-LSDHHAIUSA-N 1 1 317.349 1.557 20 5 DDBDMO Nc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824003000 705352604 /nfs/dbraw/zinc/35/26/04/705352604.db2.gz LCFJYEHIXOROSD-NWDGAFQWSA-N 1 1 319.365 1.925 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000861037749 705357700 /nfs/dbraw/zinc/35/77/00/705357700.db2.gz ILLOXQZQBHMTKN-LBPRGKRZSA-N 1 1 302.371 1.476 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000861391509 705456091 /nfs/dbraw/zinc/45/60/91/705456091.db2.gz TZUHEIUMDISSCO-UHFFFAOYSA-N 1 1 316.317 1.643 20 5 DDBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862539746 705728794 /nfs/dbraw/zinc/72/87/94/705728794.db2.gz UQZFDJWOPHJYHO-QMMMGPOBSA-N 1 1 301.730 1.746 20 5 DDBDMO Cc1nn(C[N@H+](C)CC2(C)COC2)c2ncc([N+](=O)[O-])cc12 ZINC000863296846 705893972 /nfs/dbraw/zinc/89/39/72/705893972.db2.gz QHKLQDVKZIWWIO-UHFFFAOYSA-N 1 1 305.338 1.574 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137222 705938009 /nfs/dbraw/zinc/93/80/09/705938009.db2.gz VHAHOYQPYMMQOU-RBSFLKMASA-N 1 1 303.362 1.909 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827244433 705958915 /nfs/dbraw/zinc/95/89/15/705958915.db2.gz AKXCSFVTEVAQMZ-SNPRPXQTSA-N 1 1 319.361 1.181 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375174 705989247 /nfs/dbraw/zinc/98/92/47/705989247.db2.gz TYKVNXYNKGPWBD-OLZOCXBDSA-N 1 1 319.361 1.770 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000827490926 706012990 /nfs/dbraw/zinc/01/29/90/706012990.db2.gz JHPDJJNHUFAHQB-CABCVRRESA-N 1 1 321.377 1.427 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000878046521 706274002 /nfs/dbraw/zinc/27/40/02/706274002.db2.gz BQJQSEVPJXHPCE-GFCCVEGCSA-N 1 1 310.354 1.327 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000878046521 706274003 /nfs/dbraw/zinc/27/40/03/706274003.db2.gz BQJQSEVPJXHPCE-GFCCVEGCSA-N 1 1 310.354 1.327 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864963338 706313688 /nfs/dbraw/zinc/31/36/88/706313688.db2.gz USCOMQGAUKLGRB-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880071304 706870156 /nfs/dbraw/zinc/87/01/56/706870156.db2.gz XAFQIOXIQVTTNZ-UONOGXRCSA-N 1 1 309.341 1.375 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000880180763 706903206 /nfs/dbraw/zinc/90/32/06/706903206.db2.gz CLEOHGQEDYDCEM-RISCZKNCSA-N 1 1 308.338 1.209 20 5 DDBDMO Cn1cc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000880222546 706913137 /nfs/dbraw/zinc/91/31/37/706913137.db2.gz XBHNDIGWABGBCK-OTVXOJSOSA-N 1 1 302.334 1.468 20 5 DDBDMO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880587541 707029236 /nfs/dbraw/zinc/02/92/36/707029236.db2.gz GWQPYVHWISYZHE-AWEZNQCLSA-N 1 1 309.366 1.805 20 5 DDBDMO CC(C)(O)C[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000871966743 707258119 /nfs/dbraw/zinc/25/81/19/707258119.db2.gz WPXDNHMIZGKBKU-ZDUSSCGKSA-N 1 1 323.393 1.239 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000882315453 707580757 /nfs/dbraw/zinc/58/07/57/707580757.db2.gz ICFJSYGICDJPGT-LBPRGKRZSA-N 1 1 324.356 1.678 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000882484577 707655304 /nfs/dbraw/zinc/65/53/04/707655304.db2.gz HLJRZXVTMUKJNQ-LLVKDONJSA-N 1 1 302.334 1.900 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCO[C@@H]3CCOC3)nc2c1 ZINC000897202161 708251592 /nfs/dbraw/zinc/25/15/92/708251592.db2.gz QJQMYMRJUHBGAX-LLVKDONJSA-N 1 1 307.306 1.631 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCOCC2)c1C ZINC000897502885 708354430 /nfs/dbraw/zinc/35/44/30/708354430.db2.gz RCNBDSAAPLZXLX-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCOCC2)c1C ZINC000897502885 708354434 /nfs/dbraw/zinc/35/44/34/708354434.db2.gz RCNBDSAAPLZXLX-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000897683207 708418741 /nfs/dbraw/zinc/41/87/41/708418741.db2.gz ATSMIWYWIBSXOU-ABAIWWIYSA-N 1 1 316.361 1.808 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912605533 713044930 /nfs/dbraw/zinc/04/49/30/713044930.db2.gz YTUDVBNAGZEWGA-SEYXRHQNSA-N 1 1 321.377 1.381 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000886596152 708787654 /nfs/dbraw/zinc/78/76/54/708787654.db2.gz XTEOVYIALDRROZ-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000886596152 708787655 /nfs/dbraw/zinc/78/76/55/708787655.db2.gz XTEOVYIALDRROZ-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)n1 ZINC000886597934 708788375 /nfs/dbraw/zinc/78/83/75/708788375.db2.gz PTXCUHNLPMVFFJ-LBPRGKRZSA-N 1 1 323.397 1.614 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)n1 ZINC000886597934 708788377 /nfs/dbraw/zinc/78/83/77/708788377.db2.gz PTXCUHNLPMVFFJ-LBPRGKRZSA-N 1 1 323.397 1.614 20 5 DDBDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841646 708859467 /nfs/dbraw/zinc/85/94/67/708859467.db2.gz RLAJDBNPGDCLFN-ILXRZTDVSA-N 1 1 320.393 1.851 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCO)cc1Cl ZINC000899738862 709184692 /nfs/dbraw/zinc/18/46/92/709184692.db2.gz OJOQWQQPIDYBNL-UHFFFAOYSA-N 1 1 315.757 1.211 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900159755 709311001 /nfs/dbraw/zinc/31/10/01/709311001.db2.gz PVFIATGNZBNBEY-DOMZBBRYSA-N 1 1 307.350 1.008 20 5 DDBDMO C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328965 710011660 /nfs/dbraw/zinc/01/16/60/710011660.db2.gz JVNSWJRBOHIIPU-MLGOLLRUSA-N 1 1 321.377 1.619 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000892678985 710480589 /nfs/dbraw/zinc/48/05/89/710480589.db2.gz AQCNVRMTYARDIT-LBPRGKRZSA-N 1 1 322.365 1.157 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOC(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000893392420 710633898 /nfs/dbraw/zinc/63/38/98/710633898.db2.gz RULUGCJNNJPIOM-NSHDSACASA-N 1 1 311.338 1.201 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928441883 713197461 /nfs/dbraw/zinc/19/74/61/713197461.db2.gz PTMZBRMUWIOEHC-QMTHXVAHSA-N 1 1 316.361 1.827 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457576 713205436 /nfs/dbraw/zinc/20/54/36/713205436.db2.gz XJIMFBWRCBCTSG-KOLCDFICSA-N 1 1 323.349 1.434 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000928459992 713206312 /nfs/dbraw/zinc/20/63/12/713206312.db2.gz YYGSZSDOSAXUHI-MFKMUULPSA-N 1 1 317.349 1.153 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637831 710832984 /nfs/dbraw/zinc/83/29/84/710832984.db2.gz JTIILFKOGSSESI-ZIAGYGMSSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637831 710832988 /nfs/dbraw/zinc/83/29/88/710832988.db2.gz JTIILFKOGSSESI-ZIAGYGMSSA-N 1 1 317.349 1.920 20 5 DDBDMO COc1cc([C@H](C)NC[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091854 711029731 /nfs/dbraw/zinc/02/97/31/711029731.db2.gz BMJJVKYGMXKSJU-WFASDCNBSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([C@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091854 711029733 /nfs/dbraw/zinc/02/97/33/711029733.db2.gz BMJJVKYGMXKSJU-WFASDCNBSA-N 1 1 322.409 1.500 20 5 DDBDMO C[N@@H+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894881984 711307184 /nfs/dbraw/zinc/30/71/84/711307184.db2.gz QCRFMVXEHAZYFD-LLVKDONJSA-N 1 1 320.324 1.395 20 5 DDBDMO C[N@H+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894881984 711307186 /nfs/dbraw/zinc/30/71/86/711307186.db2.gz QCRFMVXEHAZYFD-LLVKDONJSA-N 1 1 320.324 1.395 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908052258 712672189 /nfs/dbraw/zinc/67/21/89/712672189.db2.gz CAOPPTACMUFTSA-HOCLYGCPSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908267256 712724661 /nfs/dbraw/zinc/72/46/61/712724661.db2.gz FAPHVWNZWJAPDE-INIZCTEOSA-N 1 1 321.377 1.997 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000930093820 713754732 /nfs/dbraw/zinc/75/47/32/713754732.db2.gz FSKIAVWRHXKTMN-VXGBXAGGSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044512 713989595 /nfs/dbraw/zinc/98/95/95/713989595.db2.gz NNODNCYMAIEMTG-WFASDCNBSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044512 713989597 /nfs/dbraw/zinc/98/95/97/713989597.db2.gz NNODNCYMAIEMTG-WFASDCNBSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016806 714236261 /nfs/dbraw/zinc/23/62/61/714236261.db2.gz PLDAUXNTJOCUFG-DOMZBBRYSA-N 1 1 320.349 1.700 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737202 714659386 /nfs/dbraw/zinc/65/93/86/714659386.db2.gz LYMSKPTXQGSOJR-BMFZPTHFSA-N 1 1 305.378 1.512 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749724 714662965 /nfs/dbraw/zinc/66/29/65/714662965.db2.gz FWCJIWXQLOTYKU-LRDDRELGSA-N 1 1 319.361 1.691 20 5 DDBDMO C[C@@]1(C2CC2)COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000934478510 714829735 /nfs/dbraw/zinc/82/97/35/714829735.db2.gz UZBVNBUARHGTOM-HNNXBMFYSA-N 1 1 307.350 1.257 20 5 DDBDMO C[C@@]1(C2CC2)COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000934478510 714829736 /nfs/dbraw/zinc/82/97/36/714829736.db2.gz UZBVNBUARHGTOM-HNNXBMFYSA-N 1 1 307.350 1.257 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000347409208 719475508 /nfs/dbraw/zinc/47/55/08/719475508.db2.gz GYAWUDBSYJFAFF-OLZOCXBDSA-N 1 1 315.333 1.057 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001167358599 733289113 /nfs/dbraw/zinc/28/91/13/733289113.db2.gz WCQBQXXSKAKJLS-UHFFFAOYSA-N 1 1 314.227 1.132 20 5 DDBDMO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063746 734368359 /nfs/dbraw/zinc/36/83/59/734368359.db2.gz KZZLGVFRTIMCRF-LXTVHRRPSA-N 1 1 321.352 1.536 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC1C[NH+](C(C)C)C1 ZINC001168315823 742181778 /nfs/dbraw/zinc/18/17/78/742181778.db2.gz YDVATMSKXSHAQG-UHFFFAOYSA-N 1 1 308.338 1.589 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CCC=CCC1 ZINC001151285701 743743820 /nfs/dbraw/zinc/74/38/20/743743820.db2.gz ACWKBWVXYCZWJU-UHFFFAOYSA-N 1 1 321.381 1.281 20 5 DDBDMO COC(=O)c1cnc(NCc2[nH]c(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001187663496 744589140 /nfs/dbraw/zinc/58/91/40/744589140.db2.gz WPIKNENGSZQPBB-UHFFFAOYSA-N 1 1 305.294 1.728 20 5 DDBDMO CNC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759131 747247798 /nfs/dbraw/zinc/24/77/98/747247798.db2.gz NBKNNJQCOGSYSI-TZMCWYRMSA-N 1 1 322.365 1.022 20 5 DDBDMO CNC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759131 747247803 /nfs/dbraw/zinc/24/78/03/747247803.db2.gz NBKNNJQCOGSYSI-TZMCWYRMSA-N 1 1 322.365 1.022 20 5 DDBDMO COC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023987 762202106 /nfs/dbraw/zinc/20/21/06/762202106.db2.gz WLVSQIZRNPORGQ-AGIUHOORSA-N 1 1 308.382 1.411 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169023987 762202111 /nfs/dbraw/zinc/20/21/11/762202111.db2.gz WLVSQIZRNPORGQ-AGIUHOORSA-N 1 1 308.382 1.411 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3cnccn3)C2)C1 ZINC001169053886 762208642 /nfs/dbraw/zinc/20/86/42/762208642.db2.gz JYLIBIAEYKRAEZ-HZSPNIEDSA-N 1 1 306.366 1.765 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097212504 756983263 /nfs/dbraw/zinc/98/32/63/756983263.db2.gz WKJZZBQHOXBNQM-TXEJJXNPSA-N 1 1 321.381 1.391 20 5 DDBDMO Cc1cccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083267 760943549 /nfs/dbraw/zinc/94/35/49/760943549.db2.gz SKERJJLRJIQMCE-QVHKTLOISA-N 1 1 318.377 1.040 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334098 766256933 /nfs/dbraw/zinc/25/69/33/766256933.db2.gz BLDCXUKLPVYLEM-DGCLKSJQSA-N 1 1 310.350 1.228 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093641919 774939483 /nfs/dbraw/zinc/93/94/83/774939483.db2.gz AUVVUJBMPLBMDG-UHFFFAOYSA-N 1 1 321.312 1.467 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093840783 775125914 /nfs/dbraw/zinc/12/59/14/775125914.db2.gz WIYMGTUERQWWBZ-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094517194 775972635 /nfs/dbraw/zinc/97/26/35/775972635.db2.gz FJTBBOHEPZBSSC-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO NC(=O)[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172918313 776930927 /nfs/dbraw/zinc/93/09/27/776930927.db2.gz AQYYADJFOYGECL-UKRRQHHQSA-N 1 1 319.361 1.028 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001173220965 777053399 /nfs/dbraw/zinc/05/33/99/777053399.db2.gz DTOUANAQJFLNGQ-MAZHCROVSA-N 1 1 305.378 1.541 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001173223388 777057090 /nfs/dbraw/zinc/05/70/90/777057090.db2.gz ZNSRRHMZRJZCMO-KCXAZCMYSA-N 1 1 308.378 1.591 20 5 DDBDMO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C(F)F ZINC001269356722 841560530 /nfs/dbraw/zinc/56/05/30/841560530.db2.gz UNUYJKOEAWGBQQ-UHFFFAOYSA-N 1 1 305.306 1.660 20 5 DDBDMO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001269411442 841618503 /nfs/dbraw/zinc/61/85/03/841618503.db2.gz HMWVGSWWDRSVBC-ZIAGYGMSSA-N 1 1 318.377 1.102 20 5 DDBDMO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C(N)=O ZINC001142940135 861315879 /nfs/dbraw/zinc/31/58/79/861315879.db2.gz LIQOSISOLNQLJB-UHFFFAOYSA-N 1 1 324.340 1.380 20 5 DDBDMO Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001123474142 859251153 /nfs/dbraw/zinc/25/11/53/859251153.db2.gz YRWUPTCNQVKGHP-BXUZGUMPSA-N 1 1 304.350 1.230 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[nH+]1 ZINC001156476909 863083091 /nfs/dbraw/zinc/08/30/91/863083091.db2.gz ZCPMRHOJABFCHJ-UHFFFAOYSA-N 1 1 324.728 1.517 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncnc(OC)c3[N+](=O)[O-])C[C@H]2C1 ZINC001157692632 864052457 /nfs/dbraw/zinc/05/24/57/864052457.db2.gz YBGGIPVTIAIDFB-PHIMTYICSA-N 1 1 307.354 1.171 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001158366057 864606167 /nfs/dbraw/zinc/60/61/67/864606167.db2.gz VFNZCCVFZMSXAT-VIFPVBQESA-N 1 1 310.329 1.530 20 5 DDBDMO COc1nc(N2CC[N@@H+](C)CC23CCCC3)ncc1[N+](=O)[O-] ZINC001158405317 864631561 /nfs/dbraw/zinc/63/15/61/864631561.db2.gz PKAQDJPIOVXZDX-UHFFFAOYSA-N 1 1 307.354 1.458 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160724979 866074992 /nfs/dbraw/zinc/07/49/92/866074992.db2.gz NMQYNTXITJZPPM-CHWSQXEVSA-N 1 1 307.354 1.237 20 5 DDBDMO CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001333470435 866775258 /nfs/dbraw/zinc/77/52/58/866775258.db2.gz IOLZXCIZLLQBOZ-UKRRQHHQSA-N 1 1 323.368 1.997 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333721527 866963858 /nfs/dbraw/zinc/96/38/58/866963858.db2.gz IKMANHXZMYLWKT-NHYWBVRUSA-N 1 1 317.349 1.574 20 5 DDBDMO Cc1nc(N[C@H](C[NH+]2CCOCC2)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001162879604 867895054 /nfs/dbraw/zinc/89/50/54/867895054.db2.gz DEYSJQJKSHAHQK-CYBMUJFWSA-N 1 1 323.397 1.852 20 5 DDBDMO Cc1nc(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001163117355 868114496 /nfs/dbraw/zinc/11/44/96/868114496.db2.gz FPAJHQGXCRAJMR-CYBMUJFWSA-N 1 1 322.365 1.403 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001322508681 868212064 /nfs/dbraw/zinc/21/20/64/868212064.db2.gz DSCBPRSDGRWPMN-BONVTDFDSA-N 1 1 318.377 1.849 20 5 DDBDMO COc1nc(SC)nc(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC001163919938 868793009 /nfs/dbraw/zinc/79/30/09/868793009.db2.gz OVVCCRRXHDPRAL-UHFFFAOYSA-N 1 1 324.366 1.732 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@](C)(O)[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC001164288004 869088686 /nfs/dbraw/zinc/08/86/86/869088686.db2.gz ASGLBFDJLXRVDI-OZQCQIJRSA-N 1 1 324.356 1.821 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494946 869234195 /nfs/dbraw/zinc/23/41/95/869234195.db2.gz YXNJPNKSRSPGLV-VXGBXAGGSA-N 1 1 324.406 1.184 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001337585070 869551724 /nfs/dbraw/zinc/55/17/24/869551724.db2.gz FNXJGYKLQHQDIQ-LBPRGKRZSA-N 1 1 304.350 1.480 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001337585070 869551736 /nfs/dbraw/zinc/55/17/36/869551736.db2.gz FNXJGYKLQHQDIQ-LBPRGKRZSA-N 1 1 304.350 1.480 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001166032742 869808532 /nfs/dbraw/zinc/80/85/32/869808532.db2.gz RXOMDKXZQIJACK-UHFFFAOYSA-N 1 1 305.338 1.624 20 5 DDBDMO COC(=O)C1([NH3+])CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001166794488 870253778 /nfs/dbraw/zinc/25/37/78/870253778.db2.gz CZZRWTBPWLGFEQ-UHFFFAOYSA-N 1 1 314.729 1.114 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC001308140451 871475632 /nfs/dbraw/zinc/47/56/32/871475632.db2.gz LCDBGDQCHLGHGC-LBPRGKRZSA-N 1 1 317.353 1.076 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001319181582 872482777 /nfs/dbraw/zinc/48/27/77/872482777.db2.gz MKZCNYDJRIZNDQ-UMVBOHGHSA-N 1 1 308.382 1.664 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001319297819 872550289 /nfs/dbraw/zinc/55/02/89/872550289.db2.gz DQSSYPVMVROHCN-LLVKDONJSA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001319297819 872550297 /nfs/dbraw/zinc/55/02/97/872550297.db2.gz DQSSYPVMVROHCN-LLVKDONJSA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001319297819 872550306 /nfs/dbraw/zinc/55/03/06/872550306.db2.gz DQSSYPVMVROHCN-LLVKDONJSA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001344466150 873013690 /nfs/dbraw/zinc/01/36/90/873013690.db2.gz HHUCOLJKTQZTMU-UHFFFAOYSA-N 1 1 310.402 1.241 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001348145018 874378366 /nfs/dbraw/zinc/37/83/66/874378366.db2.gz JLMLDVBFJILHMN-RYUDHWBXSA-N 1 1 322.413 1.556 20 5 DDBDMO C[C@H](COC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001349655491 875285375 /nfs/dbraw/zinc/28/53/75/875285375.db2.gz LGGJMBHUOXXYHN-LBPRGKRZSA-N 1 1 308.334 1.720 20 5 DDBDMO CC[N@H+]1CC[C@H](OCc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001223664362 881050566 /nfs/dbraw/zinc/05/05/66/881050566.db2.gz HWHMBDNBECDDOJ-LBPRGKRZSA-N 1 1 308.334 1.992 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001223943266 881158336 /nfs/dbraw/zinc/15/83/36/881158336.db2.gz KOBMOMQBNOBZLL-JGGQBBKZSA-N 1 1 320.345 1.924 20 5 DDBDMO O=c1[nH]c(C2CC2)nc(O[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001228604844 883567694 /nfs/dbraw/zinc/56/76/94/883567694.db2.gz WXADJCGHHYNZGO-SNVBAGLBSA-N 1 1 306.322 1.441 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234368253 887910568 /nfs/dbraw/zinc/91/05/68/887910568.db2.gz BRDHZRZYYLHXOF-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246554960 892693844 /nfs/dbraw/zinc/69/38/44/892693844.db2.gz AFPPLSKFIXMXIR-BBRMVZONSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246554960 892693848 /nfs/dbraw/zinc/69/38/48/892693848.db2.gz AFPPLSKFIXMXIR-BBRMVZONSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246554960 892693853 /nfs/dbraw/zinc/69/38/53/892693853.db2.gz AFPPLSKFIXMXIR-BBRMVZONSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559079 892698152 /nfs/dbraw/zinc/69/81/52/892698152.db2.gz NFEMFNYYOHHEDD-XJKSGUPXSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@@H]1C(=O)NCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478764 896455631 /nfs/dbraw/zinc/45/56/31/896455631.db2.gz IXXOUTZZSNRJDX-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO C[C@@H]1C(=O)NCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478764 896455636 /nfs/dbraw/zinc/45/56/36/896455636.db2.gz IXXOUTZZSNRJDX-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279363796 903237088 /nfs/dbraw/zinc/23/70/88/903237088.db2.gz WJYMGNMLWXXJKS-OPCZEIQHSA-N 1 1 307.394 1.398 20 5 DDBDMO CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279363796 903237100 /nfs/dbraw/zinc/23/71/00/903237100.db2.gz WJYMGNMLWXXJKS-OPCZEIQHSA-N 1 1 307.394 1.398 20 5 DDBDMO CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279363796 903237115 /nfs/dbraw/zinc/23/71/15/903237115.db2.gz WJYMGNMLWXXJKS-OPCZEIQHSA-N 1 1 307.394 1.398 20 5 DDBDMO CC[C@]1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248951633 282120187 /nfs/dbraw/zinc/12/01/87/282120187.db2.gz PQJGGUFQXFTFKV-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248951633 282120188 /nfs/dbraw/zinc/12/01/88/282120188.db2.gz PQJGGUFQXFTFKV-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000272809073 210211246 /nfs/dbraw/zinc/21/12/46/210211246.db2.gz IWSBTQUUXYHOHR-LBPRGKRZSA-N 1 1 320.349 1.915 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292406069 529801281 /nfs/dbraw/zinc/80/12/81/529801281.db2.gz ZENBIKWCNXTRFN-MRXNPFEDSA-N 1 1 303.362 1.692 20 5 DDBDMO COc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266422723 282302369 /nfs/dbraw/zinc/30/23/69/282302369.db2.gz SHCFYVYDMORFAT-GFCCVEGCSA-N 1 1 308.382 1.651 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299331512 530058003 /nfs/dbraw/zinc/05/80/03/530058003.db2.gz ZKFYKYRDCFOUES-LLVKDONJSA-N 1 1 302.334 1.900 20 5 DDBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330860125 232119933 /nfs/dbraw/zinc/11/99/33/232119933.db2.gz VWMOXXFDSLBUBO-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330860125 232119937 /nfs/dbraw/zinc/11/99/37/232119937.db2.gz VWMOXXFDSLBUBO-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330860125 232119941 /nfs/dbraw/zinc/11/99/41/232119941.db2.gz VWMOXXFDSLBUBO-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1c(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000616200570 362584209 /nfs/dbraw/zinc/58/42/09/362584209.db2.gz JANWMVWOLJUKHG-ZDUSSCGKSA-N 1 1 306.366 1.797 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342426597 282555809 /nfs/dbraw/zinc/55/58/09/282555809.db2.gz DTFOVKLGRMLNDB-PRHODGIISA-N 1 1 318.782 1.771 20 5 DDBDMO CC(C)(C)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000279943286 215258733 /nfs/dbraw/zinc/25/87/33/215258733.db2.gz XIMQYDXRCOQRQG-CYBMUJFWSA-N 1 1 309.366 1.503 20 5 DDBDMO CC(C)(C)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000279943286 215258736 /nfs/dbraw/zinc/25/87/36/215258736.db2.gz XIMQYDXRCOQRQG-CYBMUJFWSA-N 1 1 309.366 1.503 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000191861922 186266085 /nfs/dbraw/zinc/26/60/85/186266085.db2.gz OJFRGCZHTJFZLT-UGFHNGPFSA-N 1 1 322.361 1.759 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000027214970 352215140 /nfs/dbraw/zinc/21/51/40/352215140.db2.gz JZAPKESIJOEODJ-CQSZACIVSA-N 1 1 320.349 1.200 20 5 DDBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042309689 352334212 /nfs/dbraw/zinc/33/42/12/352334212.db2.gz QXSDXFZLSXVKOR-UHFFFAOYSA-N 1 1 323.397 1.070 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CCc2ccccc2C1 ZINC000045026610 352399932 /nfs/dbraw/zinc/39/99/32/352399932.db2.gz VWCRSEUUQRKNOZ-UHFFFAOYSA-N 1 1 301.350 1.799 20 5 DDBDMO NC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052826674 352626460 /nfs/dbraw/zinc/62/64/60/352626460.db2.gz QHHODTFLPXDRRP-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000054925851 352710465 /nfs/dbraw/zinc/71/04/65/352710465.db2.gz LHQRTSYUYYVJIJ-PHIMTYICSA-N 1 1 324.381 1.541 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000054925851 352710468 /nfs/dbraw/zinc/71/04/68/352710468.db2.gz LHQRTSYUYYVJIJ-PHIMTYICSA-N 1 1 324.381 1.541 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000066870881 353020641 /nfs/dbraw/zinc/02/06/41/353020641.db2.gz QLNSJOKYUJWEFE-UHFFFAOYSA-N 1 1 317.342 1.106 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000068369195 353106962 /nfs/dbraw/zinc/10/69/62/353106962.db2.gz RLTZHDXRQJNXCD-ZDUSSCGKSA-N 1 1 320.349 1.182 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C1CC1 ZINC000067965662 353077653 /nfs/dbraw/zinc/07/76/53/353077653.db2.gz MJJDORVPDYQEGP-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069529207 353165704 /nfs/dbraw/zinc/16/57/04/353165704.db2.gz WRAKFHNQQNVCCX-AWEZNQCLSA-N 1 1 307.350 1.435 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000073993039 353283560 /nfs/dbraw/zinc/28/35/60/353283560.db2.gz ZJMSLXWWINAYMP-OLZOCXBDSA-N 1 1 318.377 1.945 20 5 DDBDMO Nc1nc(N2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000076511506 353423925 /nfs/dbraw/zinc/42/39/25/353423925.db2.gz GQJUPONRCCHMAB-UHFFFAOYSA-N 1 1 320.378 1.351 20 5 DDBDMO COc1ccc([C@H](CO)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174861024 198394090 /nfs/dbraw/zinc/39/40/90/198394090.db2.gz WQNQAXAKUQLYRN-HNNXBMFYSA-N 1 1 320.349 1.465 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174808640 198387645 /nfs/dbraw/zinc/38/76/45/198387645.db2.gz HSSWNIULOGTAOL-UHFFFAOYSA-N 1 1 304.350 1.940 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355776141 291004036 /nfs/dbraw/zinc/00/40/36/291004036.db2.gz BBSUGMQCQXLIPY-HUUCEWRRSA-N 1 1 324.381 1.045 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091457694 353827116 /nfs/dbraw/zinc/82/71/16/353827116.db2.gz QWKOZPCZSXJIGQ-NSHDSACASA-N 1 1 304.354 1.781 20 5 DDBDMO COc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090512160 353795210 /nfs/dbraw/zinc/79/52/10/353795210.db2.gz FAFHTHVNTAZBIQ-UHFFFAOYSA-N 1 1 317.345 1.897 20 5 DDBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000161896678 354244803 /nfs/dbraw/zinc/24/48/03/354244803.db2.gz OOZDCDBJHSJWGU-ZDUSSCGKSA-N 1 1 324.381 1.847 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157689748 354226678 /nfs/dbraw/zinc/22/66/78/354226678.db2.gz XJFLPXCFSXWLHF-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157689748 354226681 /nfs/dbraw/zinc/22/66/81/354226681.db2.gz XJFLPXCFSXWLHF-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000589499646 354996772 /nfs/dbraw/zinc/99/67/72/354996772.db2.gz ZMKHWPTWADCKBE-GFCCVEGCSA-N 1 1 322.361 1.976 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591047957 355238944 /nfs/dbraw/zinc/23/89/44/355238944.db2.gz WUVPOXOHWKSFFO-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000593992743 356081201 /nfs/dbraw/zinc/08/12/01/356081201.db2.gz BTEYSBPWTYHUMN-LBPRGKRZSA-N 1 1 321.381 1.065 20 5 DDBDMO Cc1noc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000595348789 356457913 /nfs/dbraw/zinc/45/79/13/356457913.db2.gz VJOGVFCDQKGBKD-GFCCVEGCSA-N 1 1 311.338 1.661 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595689573 356611455 /nfs/dbraw/zinc/61/14/55/356611455.db2.gz RWPDTYCBAVLJHC-IYBDPMFKSA-N 1 1 319.361 1.552 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595661220 356597254 /nfs/dbraw/zinc/59/72/54/356597254.db2.gz JYEZQONNJOPOCF-HNNXBMFYSA-N 1 1 310.350 1.447 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595756850 356639197 /nfs/dbraw/zinc/63/91/97/356639197.db2.gz XXSCJCMIZZNOBZ-AAEUAGOBSA-N 1 1 300.334 1.224 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836582 356671678 /nfs/dbraw/zinc/67/16/78/356671678.db2.gz WTHODXSOAQQDCG-QWHCGFSZSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836582 356671680 /nfs/dbraw/zinc/67/16/80/356671680.db2.gz WTHODXSOAQQDCG-QWHCGFSZSA-N 1 1 319.361 1.810 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595868890 356685042 /nfs/dbraw/zinc/68/50/42/356685042.db2.gz BYLHVNQMQXXRLP-XHBSWPGZSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595868890 356685045 /nfs/dbraw/zinc/68/50/45/356685045.db2.gz BYLHVNQMQXXRLP-XHBSWPGZSA-N 1 1 321.377 1.872 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000347508120 283218493 /nfs/dbraw/zinc/21/84/93/283218493.db2.gz AFRUHSRXMNIKPL-ZDUSSCGKSA-N 1 1 312.391 1.773 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000347508117 283218672 /nfs/dbraw/zinc/21/86/72/283218672.db2.gz AFRUHSRXMNIKPL-CYBMUJFWSA-N 1 1 312.391 1.773 20 5 DDBDMO O=c1[nH]ccc(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000596072433 356762125 /nfs/dbraw/zinc/76/21/25/356762125.db2.gz AKDCJRWZQOSXGO-UHFFFAOYSA-N 1 1 303.322 1.883 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000598343860 357546970 /nfs/dbraw/zinc/54/69/70/357546970.db2.gz WYEAXESMVXJHCR-JTQLQIEISA-N 1 1 309.370 1.655 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598648528 357669075 /nfs/dbraw/zinc/66/90/75/357669075.db2.gz UCQWXYUOKGHQGN-MGPQQGTHSA-N 1 1 324.377 1.285 20 5 DDBDMO Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000599175439 357840484 /nfs/dbraw/zinc/84/04/84/357840484.db2.gz BFYMKNIGCUSCTC-GFCCVEGCSA-N 1 1 316.361 1.930 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553487 357970968 /nfs/dbraw/zinc/97/09/68/357970968.db2.gz WSYAFCVTZUFRKI-UPJWGTAASA-N 1 1 312.395 1.122 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCC[NH2+]3)o2)cc1 ZINC000600679077 358281168 /nfs/dbraw/zinc/28/11/68/358281168.db2.gz ZATHKFXMNFPVTQ-CYBMUJFWSA-N 1 1 317.345 1.933 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000600835038 358328963 /nfs/dbraw/zinc/32/89/63/358328963.db2.gz HAMIOUGPZSRLNE-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](CO)[C@H](O)C3)c2c1 ZINC000601153058 358424196 /nfs/dbraw/zinc/42/41/96/358424196.db2.gz UXTHWLQQXGPNJB-ZUZCIYMTSA-N 1 1 303.318 1.323 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000601183702 358437510 /nfs/dbraw/zinc/43/75/10/358437510.db2.gz CSOFEZWGEVUSBJ-MNOVXSKESA-N 1 1 301.350 1.859 20 5 DDBDMO Cc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000601956013 358752360 /nfs/dbraw/zinc/75/23/60/358752360.db2.gz CUHUQJRFIBYCII-MRXNPFEDSA-N 1 1 316.361 1.737 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCSC[C@H]1C[N@H+](C)CCO1 ZINC000601918117 358740367 /nfs/dbraw/zinc/74/03/67/358740367.db2.gz ONFQPCMIERMYNE-LLVKDONJSA-N 1 1 300.384 1.164 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCSC[C@H]1C[N@@H+](C)CCO1 ZINC000601918117 358740372 /nfs/dbraw/zinc/74/03/72/358740372.db2.gz ONFQPCMIERMYNE-LLVKDONJSA-N 1 1 300.384 1.164 20 5 DDBDMO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000602174240 358863305 /nfs/dbraw/zinc/86/33/05/358863305.db2.gz SQUSVGQQXAZXRV-OLZOCXBDSA-N 1 1 307.350 1.759 20 5 DDBDMO COCC[N@@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602531676 359030400 /nfs/dbraw/zinc/03/04/00/359030400.db2.gz WNTIUNSZOBLIFK-UHFFFAOYSA-N 1 1 308.338 1.404 20 5 DDBDMO COCCN(C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602531676 359030403 /nfs/dbraw/zinc/03/04/03/359030403.db2.gz WNTIUNSZOBLIFK-UHFFFAOYSA-N 1 1 308.338 1.404 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000602482356 359008795 /nfs/dbraw/zinc/00/87/95/359008795.db2.gz FNZOCNGWIYKYMU-AAEUAGOBSA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000602482356 359008797 /nfs/dbraw/zinc/00/87/97/359008797.db2.gz FNZOCNGWIYKYMU-AAEUAGOBSA-N 1 1 304.354 1.608 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602652298 359101583 /nfs/dbraw/zinc/10/15/83/359101583.db2.gz CIMIDWBELSVCLB-UHFFFAOYSA-N 1 1 305.256 1.921 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000602729682 359153381 /nfs/dbraw/zinc/15/33/81/359153381.db2.gz AZVKLXPMRINQKM-IYBDPMFKSA-N 1 1 317.345 1.388 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000602843195 359231102 /nfs/dbraw/zinc/23/11/02/359231102.db2.gz WERNWIYYNUDZDW-MGPQQGTHSA-N 1 1 308.382 1.725 20 5 DDBDMO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000602829422 359220869 /nfs/dbraw/zinc/22/08/69/359220869.db2.gz ISUYTIJHJWVYAF-IUCAKERBSA-N 1 1 310.276 1.366 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602932457 359302604 /nfs/dbraw/zinc/30/26/04/359302604.db2.gz YLDAVTULBGRMEB-DOMZBBRYSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602932457 359302609 /nfs/dbraw/zinc/30/26/09/359302609.db2.gz YLDAVTULBGRMEB-DOMZBBRYSA-N 1 1 321.377 1.650 20 5 DDBDMO Cn1cc(C2=CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000602888087 359272042 /nfs/dbraw/zinc/27/20/42/359272042.db2.gz PACXCFYHYBBDQX-UHFFFAOYSA-N 1 1 302.338 1.314 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963871 359327922 /nfs/dbraw/zinc/32/79/22/359327922.db2.gz JLEQPQOAGDOFCA-DOMZBBRYSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000602964699 359328031 /nfs/dbraw/zinc/32/80/31/359328031.db2.gz SFVDFVLKXSZJPP-HIFRSBDPSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000602964699 359328032 /nfs/dbraw/zinc/32/80/32/359328032.db2.gz SFVDFVLKXSZJPP-HIFRSBDPSA-N 1 1 310.350 1.575 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000189393848 200393607 /nfs/dbraw/zinc/39/36/07/200393607.db2.gz CEFCRWMDBWICIO-LLVKDONJSA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000189428725 200399466 /nfs/dbraw/zinc/39/94/66/200399466.db2.gz UJGNDYMAHXQACJ-ZDUSSCGKSA-N 1 1 307.394 1.872 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000609594580 360331383 /nfs/dbraw/zinc/33/13/83/360331383.db2.gz XVJSOWZKHCKCCN-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000359029748 299311728 /nfs/dbraw/zinc/31/17/28/299311728.db2.gz SOWIHTXJBXYJCS-VXGBXAGGSA-N 1 1 321.381 1.796 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088488 360619294 /nfs/dbraw/zinc/61/92/94/360619294.db2.gz ZGASKBKNMKNKQJ-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N(C)C ZINC000611204851 360658669 /nfs/dbraw/zinc/65/86/69/360658669.db2.gz BNJHAQJNOIGNNE-UHFFFAOYSA-N 1 1 322.365 1.334 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611599958 360775260 /nfs/dbraw/zinc/77/52/60/360775260.db2.gz XIGYIXBDSCWHHY-NSHDSACASA-N 1 1 305.338 1.018 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000271898636 209306103 /nfs/dbraw/zinc/30/61/03/209306103.db2.gz GIVHSAGPSQTZPJ-UHFFFAOYSA-N 1 1 319.361 1.742 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000612451063 361021873 /nfs/dbraw/zinc/02/18/73/361021873.db2.gz AKWJHKDBRHBELA-GFCCVEGCSA-N 1 1 315.333 1.059 20 5 DDBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000612451063 361021876 /nfs/dbraw/zinc/02/18/76/361021876.db2.gz AKWJHKDBRHBELA-GFCCVEGCSA-N 1 1 315.333 1.059 20 5 DDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@]1(CO)CCOC1 ZINC000613130291 361283313 /nfs/dbraw/zinc/28/33/13/361283313.db2.gz SLQCGEGOWHJRMQ-AWEZNQCLSA-N 1 1 307.306 1.319 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@]1(CO)CCOC1 ZINC000613130291 361283315 /nfs/dbraw/zinc/28/33/15/361283315.db2.gz SLQCGEGOWHJRMQ-AWEZNQCLSA-N 1 1 307.306 1.319 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2CCN(C)CC2)n1 ZINC000359110915 299328414 /nfs/dbraw/zinc/32/84/14/299328414.db2.gz TYPRLJDRPUKVRL-UHFFFAOYSA-N 1 1 307.398 1.656 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000566004709 304109577 /nfs/dbraw/zinc/10/95/77/304109577.db2.gz ZLZDNVUVOHTBSX-LBPRGKRZSA-N 1 1 313.304 1.891 20 5 DDBDMO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000275440850 212332473 /nfs/dbraw/zinc/33/24/73/212332473.db2.gz KIWNGPHITKOGML-ZDUSSCGKSA-N 1 1 307.350 1.287 20 5 DDBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000275440850 212332476 /nfs/dbraw/zinc/33/24/76/212332476.db2.gz KIWNGPHITKOGML-ZDUSSCGKSA-N 1 1 307.350 1.287 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275149961 212152587 /nfs/dbraw/zinc/15/25/87/212152587.db2.gz GKQYIRLXADGVMP-SECBINFHSA-N 1 1 319.321 1.616 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000349974358 284124649 /nfs/dbraw/zinc/12/46/49/284124649.db2.gz PSJSVQSVTIBAFB-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264553276 203993011 /nfs/dbraw/zinc/99/30/11/203993011.db2.gz SBTYMDMGBUGNEY-HNNXBMFYSA-N 1 1 319.409 1.596 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000264571340 204003252 /nfs/dbraw/zinc/00/32/52/204003252.db2.gz HPIXLCPJWZKXID-ZDUSSCGKSA-N 1 1 310.329 1.486 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000288260256 220047517 /nfs/dbraw/zinc/04/75/17/220047517.db2.gz FMVSWVIRKSXUCF-NSHDSACASA-N 1 1 309.370 1.042 20 5 DDBDMO CN1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000338954300 250216395 /nfs/dbraw/zinc/21/63/95/250216395.db2.gz MVOZSSZAMLNPSK-SECBINFHSA-N 1 1 315.276 1.517 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000106394223 194206330 /nfs/dbraw/zinc/20/63/30/194206330.db2.gz CWMRAVPSGNQKRH-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109992062 194303220 /nfs/dbraw/zinc/30/32/20/194303220.db2.gz DDDVPKPLNAIQRB-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000340969552 251310065 /nfs/dbraw/zinc/31/00/65/251310065.db2.gz SLUGMVGBBUQRRR-LLVKDONJSA-N 1 1 323.349 1.054 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341009071 251333666 /nfs/dbraw/zinc/33/36/66/251333666.db2.gz AHJGRHFAVIKMMT-YPMHNXCESA-N 1 1 306.366 1.877 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000063757939 184287800 /nfs/dbraw/zinc/28/78/00/184287800.db2.gz SBVRZFAHHBLQLI-ZDUSSCGKSA-N 1 1 323.397 1.562 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000567796240 304243039 /nfs/dbraw/zinc/24/30/39/304243039.db2.gz MDQJISUIVLKWBF-INWMFGNUSA-N 1 1 322.361 1.445 20 5 DDBDMO CCc1[nH+]ccn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000158327813 197262564 /nfs/dbraw/zinc/26/25/64/197262564.db2.gz HKAXUSNNGMZJIS-UHFFFAOYSA-N 1 1 300.318 1.943 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000274025819 285177607 /nfs/dbraw/zinc/17/76/07/285177607.db2.gz WMZDQTWLXRGZIE-FZMZJTMJSA-N 1 1 303.366 1.838 20 5 DDBDMO CNc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000568079227 304267141 /nfs/dbraw/zinc/26/71/41/304267141.db2.gz KXTWETDKOPYWJZ-SWLSCSKDSA-N 1 1 318.377 1.803 20 5 DDBDMO O=C(NCCC[C@H]1CCC[NH2+]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294798267 224228409 /nfs/dbraw/zinc/22/84/09/224228409.db2.gz IDNUSMGRQWVROL-SNVBAGLBSA-N 1 1 317.349 1.733 20 5 DDBDMO Cc1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000299516980 533665367 /nfs/dbraw/zinc/66/53/67/533665367.db2.gz HZJMFCRGQQDFSE-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068121399 406619018 /nfs/dbraw/zinc/61/90/18/406619018.db2.gz YXKMTMHHGIWMSV-SNVBAGLBSA-N 1 1 324.356 1.920 20 5 DDBDMO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000076410428 406967653 /nfs/dbraw/zinc/96/76/53/406967653.db2.gz CARPVRNFORYGRH-GFCCVEGCSA-N 1 1 306.366 1.019 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075890421 406945808 /nfs/dbraw/zinc/94/58/08/406945808.db2.gz HSFBBJLAPZRLPG-OAHLLOKOSA-N 1 1 305.378 1.891 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCO1 ZINC000076298342 406962595 /nfs/dbraw/zinc/96/25/95/406962595.db2.gz VTAZPNRMEIQSHW-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCO1 ZINC000076298342 406962597 /nfs/dbraw/zinc/96/25/97/406962597.db2.gz VTAZPNRMEIQSHW-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550846 407170165 /nfs/dbraw/zinc/17/01/65/407170165.db2.gz ZULAFDQXPPPVQS-CQSZACIVSA-N 1 1 322.409 1.563 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000057701191 407217003 /nfs/dbraw/zinc/21/70/03/407217003.db2.gz QLMTWQWNYPKIAH-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123364226 407327023 /nfs/dbraw/zinc/32/70/23/407327023.db2.gz FPWFULCWLSGXHQ-UHFFFAOYSA-N 1 1 307.397 1.195 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108339284 407384638 /nfs/dbraw/zinc/38/46/38/407384638.db2.gz JKWZVHJSGZOIHU-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320868 407407357 /nfs/dbraw/zinc/40/73/57/407407357.db2.gz YTQCRTHCEWVJFY-HJIFLFLRSA-N 1 1 319.361 1.910 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320868 407407358 /nfs/dbraw/zinc/40/73/58/407407358.db2.gz YTQCRTHCEWVJFY-HJIFLFLRSA-N 1 1 319.361 1.910 20 5 DDBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000271035846 407481623 /nfs/dbraw/zinc/48/16/23/407481623.db2.gz LQXBEDKCRNKPDB-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO CC(=O)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178568715 407497029 /nfs/dbraw/zinc/49/70/29/407497029.db2.gz OAWCYTWTJSHJBT-HNNXBMFYSA-N 1 1 307.350 1.182 20 5 DDBDMO CC(=O)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178568715 407497035 /nfs/dbraw/zinc/49/70/35/407497035.db2.gz OAWCYTWTJSHJBT-HNNXBMFYSA-N 1 1 307.350 1.182 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000151792884 407498957 /nfs/dbraw/zinc/49/89/57/407498957.db2.gz OGPODFUSTUFHKG-STQMWFEESA-N 1 1 320.349 1.972 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000185774987 407499872 /nfs/dbraw/zinc/49/98/72/407499872.db2.gz AQKWFDRVPVZNHT-VHSXEESVSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000185774987 407499879 /nfs/dbraw/zinc/49/98/79/407499879.db2.gz AQKWFDRVPVZNHT-VHSXEESVSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000185774987 407499885 /nfs/dbraw/zinc/49/98/85/407499885.db2.gz AQKWFDRVPVZNHT-VHSXEESVSA-N 1 1 307.354 1.189 20 5 DDBDMO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000127716783 407457871 /nfs/dbraw/zinc/45/78/71/407457871.db2.gz NRILAAWMYZHLJG-KGLIPLIRSA-N 1 1 306.410 1.881 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000270999650 407459931 /nfs/dbraw/zinc/45/99/31/407459931.db2.gz YSKBSBUVENXMOG-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000270999650 407459934 /nfs/dbraw/zinc/45/99/34/407459934.db2.gz YSKBSBUVENXMOG-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261695189 407580256 /nfs/dbraw/zinc/58/02/56/407580256.db2.gz IUGYHNRMWCWOSX-RKDXNWHRSA-N 1 1 303.322 1.280 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000128579284 407550133 /nfs/dbraw/zinc/55/01/33/407550133.db2.gz XRYLBFMZEALRGU-LLVKDONJSA-N 1 1 311.313 1.783 20 5 DDBDMO C[C@H](O)CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266709488 407608816 /nfs/dbraw/zinc/60/88/16/407608816.db2.gz DFPSPAYLUUVTHR-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266709488 407608822 /nfs/dbraw/zinc/60/88/22/407608822.db2.gz DFPSPAYLUUVTHR-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272228909 407824304 /nfs/dbraw/zinc/82/43/04/407824304.db2.gz LRAYKUPEJXONKA-UHFFFAOYSA-N 1 1 311.363 1.135 20 5 DDBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1COCC[NH2+]1 ZINC000238022006 407872746 /nfs/dbraw/zinc/87/27/46/407872746.db2.gz YITAXBAEUBBQAM-CQSZACIVSA-N 1 1 307.350 1.022 20 5 DDBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000175057967 408039116 /nfs/dbraw/zinc/03/91/16/408039116.db2.gz XGKBHJJIZQPPQN-QWHCGFSZSA-N 1 1 321.381 1.265 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000175062382 408043761 /nfs/dbraw/zinc/04/37/61/408043761.db2.gz LOKIPYRZSLYWPU-UHFFFAOYSA-N 1 1 307.350 1.691 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000245437638 407984528 /nfs/dbraw/zinc/98/45/28/407984528.db2.gz RPDNBHCHDYGKQG-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CO)C1 ZINC000245437638 407984531 /nfs/dbraw/zinc/98/45/31/407984531.db2.gz RPDNBHCHDYGKQG-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000268457405 408052323 /nfs/dbraw/zinc/05/23/23/408052323.db2.gz COVXKDMIHFKOPV-HNNXBMFYSA-N 1 1 302.334 1.383 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000189729033 408092424 /nfs/dbraw/zinc/09/24/24/408092424.db2.gz XDLXHRCTTREPRC-ZDUSSCGKSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220784 408098708 /nfs/dbraw/zinc/09/87/08/408098708.db2.gz DQGXXAUHODJIDV-MJBXVCDLSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)CO ZINC000190831611 408327533 /nfs/dbraw/zinc/32/75/33/408327533.db2.gz AICUYZCJOPXMML-VHSXEESVSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)CO ZINC000190831611 408327539 /nfs/dbraw/zinc/32/75/39/408327539.db2.gz AICUYZCJOPXMML-VHSXEESVSA-N 1 1 302.758 1.812 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246524874 408282616 /nfs/dbraw/zinc/28/26/16/408282616.db2.gz WAWRXJKWWOFGMD-GHMZBOCLSA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)(C)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000131375857 162012947 /nfs/dbraw/zinc/01/29/47/162012947.db2.gz HQRNVLJCKMHXRI-UHFFFAOYSA-N 1 1 309.366 1.950 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164632622 162154123 /nfs/dbraw/zinc/15/41/23/162154123.db2.gz OAUJIPWTAJYZCR-UHFFFAOYSA-N 1 1 323.397 1.665 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183221034 408358084 /nfs/dbraw/zinc/35/80/84/408358084.db2.gz RSAYSIBWSYZCBR-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183221034 408358091 /nfs/dbraw/zinc/35/80/91/408358091.db2.gz RSAYSIBWSYZCBR-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172886924 162308893 /nfs/dbraw/zinc/30/88/93/162308893.db2.gz HGHIYGDBQXIEIG-CQSZACIVSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172886924 162308895 /nfs/dbraw/zinc/30/88/95/162308895.db2.gz HGHIYGDBQXIEIG-CQSZACIVSA-N 1 1 323.349 1.271 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000274427202 408402266 /nfs/dbraw/zinc/40/22/66/408402266.db2.gz FIPJTARBIVLSKI-ZDUSSCGKSA-N 1 1 323.397 1.479 20 5 DDBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000264220319 408409587 /nfs/dbraw/zinc/40/95/87/408409587.db2.gz VOINKGSLPXCGDO-UHFFFAOYSA-N 1 1 304.306 1.209 20 5 DDBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000264220319 408409592 /nfs/dbraw/zinc/40/95/92/408409592.db2.gz VOINKGSLPXCGDO-UHFFFAOYSA-N 1 1 304.306 1.209 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543559 408444553 /nfs/dbraw/zinc/44/45/53/408444553.db2.gz UUUKGIOXRAHXEU-HZMBPMFUSA-N 1 1 306.366 1.589 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc(O)c3)CC2)n1 ZINC000177023299 408499967 /nfs/dbraw/zinc/49/99/67/408499967.db2.gz VISOIEWJFFAISV-UHFFFAOYSA-N 1 1 317.349 1.319 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176868047 408462851 /nfs/dbraw/zinc/46/28/51/408462851.db2.gz PJIQFBCQLYHMJI-DGCLKSJQSA-N 1 1 320.393 1.979 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177445643 408620653 /nfs/dbraw/zinc/62/06/53/408620653.db2.gz AQOGHTZVQQJTKV-OAHLLOKOSA-N 1 1 308.334 1.988 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248842120 408646824 /nfs/dbraw/zinc/64/68/24/408646824.db2.gz RBOHAOCLEWAHQY-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248842120 408646828 /nfs/dbraw/zinc/64/68/28/408646828.db2.gz RBOHAOCLEWAHQY-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792413 408649903 /nfs/dbraw/zinc/64/99/03/408649903.db2.gz YKVWBMOXBAESOJ-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792413 408649907 /nfs/dbraw/zinc/64/99/07/408649907.db2.gz YKVWBMOXBAESOJ-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792413 408649911 /nfs/dbraw/zinc/64/99/11/408649911.db2.gz YKVWBMOXBAESOJ-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162634682 408721441 /nfs/dbraw/zinc/72/14/41/408721441.db2.gz XKDLGVXEIWZEKE-ZDUSSCGKSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162634682 408721448 /nfs/dbraw/zinc/72/14/48/408721448.db2.gz XKDLGVXEIWZEKE-ZDUSSCGKSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193021627 408684303 /nfs/dbraw/zinc/68/43/03/408684303.db2.gz HVGSUDQNMQLZCE-LLVKDONJSA-N 1 1 304.350 1.512 20 5 DDBDMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290798887 408834636 /nfs/dbraw/zinc/83/46/36/408834636.db2.gz PIGADPSQTIYVMJ-GFCCVEGCSA-N 1 1 324.333 1.215 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000276775818 408896068 /nfs/dbraw/zinc/89/60/68/408896068.db2.gz NTCYXVDWVMFVRH-NEPJUHHUSA-N 1 1 320.349 1.449 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292053773 408970585 /nfs/dbraw/zinc/97/05/85/408970585.db2.gz AEOWKPKPEGDIFX-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)CC1(C)C ZINC000277617911 408978780 /nfs/dbraw/zinc/97/87/80/408978780.db2.gz QRWDVXASWUBWDT-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000277617911 408978783 /nfs/dbraw/zinc/97/87/83/408978783.db2.gz QRWDVXASWUBWDT-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286412625 408980718 /nfs/dbraw/zinc/98/07/18/408980718.db2.gz AUYSGCATKYGCIS-VIFPVBQESA-N 1 1 323.378 1.732 20 5 DDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292292620 409018284 /nfs/dbraw/zinc/01/82/84/409018284.db2.gz UJHFWJWFSCCEAL-CYBMUJFWSA-N 1 1 313.379 1.061 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292292620 409018287 /nfs/dbraw/zinc/01/82/87/409018287.db2.gz UJHFWJWFSCCEAL-CYBMUJFWSA-N 1 1 313.379 1.061 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1F ZINC000278969879 409123245 /nfs/dbraw/zinc/12/32/45/409123245.db2.gz XRPVPWNWNKDLAE-OAHLLOKOSA-N 1 1 323.324 1.455 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1F ZINC000278969879 409123246 /nfs/dbraw/zinc/12/32/46/409123246.db2.gz XRPVPWNWNKDLAE-OAHLLOKOSA-N 1 1 323.324 1.455 20 5 DDBDMO O=c1nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289167308 409227093 /nfs/dbraw/zinc/22/70/93/409227093.db2.gz FAWVWDBCVHEWGH-NSHDSACASA-N 1 1 303.322 1.386 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295164058 409351039 /nfs/dbraw/zinc/35/10/39/409351039.db2.gz FRTXTPVWMKNYMN-CYBMUJFWSA-N 1 1 312.366 1.285 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000290497372 409424656 /nfs/dbraw/zinc/42/46/56/409424656.db2.gz ALVTTYSONHAHAQ-JQWIXIFHSA-N 1 1 319.365 1.009 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280750019 409437079 /nfs/dbraw/zinc/43/70/79/409437079.db2.gz NFEPVVZUZCMBAC-MEBBXXQBSA-N 1 1 320.349 1.119 20 5 DDBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717249 409641495 /nfs/dbraw/zinc/64/14/95/409641495.db2.gz NLQOMXZSKVCMJJ-IUODEOHRSA-N 1 1 319.361 1.404 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717249 409641503 /nfs/dbraw/zinc/64/15/03/409641503.db2.gz NLQOMXZSKVCMJJ-IUODEOHRSA-N 1 1 319.361 1.404 20 5 DDBDMO C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342437225 409629636 /nfs/dbraw/zinc/62/96/36/409629636.db2.gz OBCHWSIXNNKURJ-UFBFGSQYSA-N 1 1 302.327 1.257 20 5 DDBDMO CCN(CC[NH+]1CCCCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000331602539 409682608 /nfs/dbraw/zinc/68/26/08/409682608.db2.gz ZGGKEVZRDXFSIB-UHFFFAOYSA-N 1 1 323.397 1.964 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(=O)n1Cc1[nH+]ccn1CC(F)(F)F ZINC000349251207 409763631 /nfs/dbraw/zinc/76/36/31/409763631.db2.gz IRLISKNIBNSQIO-UHFFFAOYSA-N 1 1 316.239 1.872 20 5 DDBDMO Cc1nnc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]1 ZINC000349372598 409813238 /nfs/dbraw/zinc/81/32/38/409813238.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000349372598 409813246 /nfs/dbraw/zinc/81/32/46/409813246.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 1 1 305.342 1.097 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332245574 410010988 /nfs/dbraw/zinc/01/09/88/410010988.db2.gz APVRWNNOKCWLFY-GFCCVEGCSA-N 1 1 316.361 1.712 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332245574 410011011 /nfs/dbraw/zinc/01/10/11/410011011.db2.gz APVRWNNOKCWLFY-GFCCVEGCSA-N 1 1 316.361 1.712 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357513645 410078699 /nfs/dbraw/zinc/07/86/99/410078699.db2.gz NPRREUVXTCNYLQ-RKDXNWHRSA-N 1 1 305.338 1.126 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000346691744 410085706 /nfs/dbraw/zinc/08/57/06/410085706.db2.gz WAZSXXSPSZRMFJ-SKDRFNHKSA-N 1 1 321.333 1.077 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346759155 410136673 /nfs/dbraw/zinc/13/66/73/410136673.db2.gz APHFVAVIVLZCLM-RYUDHWBXSA-N 1 1 323.397 1.468 20 5 DDBDMO COc1cccc(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000357637911 410154010 /nfs/dbraw/zinc/15/40/10/410154010.db2.gz TWWQRDRUYBYKSI-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393611 410154409 /nfs/dbraw/zinc/15/44/09/410154409.db2.gz KQKNBXFHDKXJQD-HZPDHXFCSA-N 1 1 321.377 1.595 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393611 410154414 /nfs/dbraw/zinc/15/44/14/410154414.db2.gz KQKNBXFHDKXJQD-HZPDHXFCSA-N 1 1 321.377 1.595 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339399025 410161181 /nfs/dbraw/zinc/16/11/81/410161181.db2.gz YNBATDFBURBILB-CVEARBPZSA-N 1 1 305.378 1.890 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000332695033 410218679 /nfs/dbraw/zinc/21/86/79/410218679.db2.gz RJERJTBNEAAPTB-MWLCHTKSSA-N 1 1 321.333 1.536 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000343273047 410299134 /nfs/dbraw/zinc/29/91/34/410299134.db2.gz QTMKWJIMSCIMNO-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000343273047 410299139 /nfs/dbraw/zinc/29/91/39/410299139.db2.gz QTMKWJIMSCIMNO-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000347365394 410498559 /nfs/dbraw/zinc/49/85/59/410498559.db2.gz HHYXYJZJVPNADN-CYBMUJFWSA-N 1 1 312.391 1.773 20 5 DDBDMO COC1CC([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000352186084 410531499 /nfs/dbraw/zinc/53/14/99/410531499.db2.gz IZCXENQETKNLFQ-UHFFFAOYSA-N 1 1 319.361 1.593 20 5 DDBDMO COC1CC([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000352186084 410531503 /nfs/dbraw/zinc/53/15/03/410531503.db2.gz IZCXENQETKNLFQ-UHFFFAOYSA-N 1 1 319.361 1.593 20 5 DDBDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355555876 410576507 /nfs/dbraw/zinc/57/65/07/410576507.db2.gz PWPSJCFUDVJHJQ-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355555876 410576516 /nfs/dbraw/zinc/57/65/16/410576516.db2.gz PWPSJCFUDVJHJQ-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299361174 410588828 /nfs/dbraw/zinc/58/88/28/410588828.db2.gz SAMFNEJFGYIETR-UHFFFAOYSA-N 1 1 324.356 1.382 20 5 DDBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299361174 410588834 /nfs/dbraw/zinc/58/88/34/410588834.db2.gz SAMFNEJFGYIETR-UHFFFAOYSA-N 1 1 324.356 1.382 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000352201992 410544734 /nfs/dbraw/zinc/54/47/34/410544734.db2.gz HSARQZSPIRCPLU-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCOC1 ZINC000352201992 410544741 /nfs/dbraw/zinc/54/47/41/410544741.db2.gz HSARQZSPIRCPLU-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202910 410545133 /nfs/dbraw/zinc/54/51/33/410545133.db2.gz NLQALLCWHRECLO-JQWIXIFHSA-N 1 1 309.366 1.933 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000343598127 410561497 /nfs/dbraw/zinc/56/14/97/410561497.db2.gz ICBHVSLZYMAEPS-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000340088160 410667178 /nfs/dbraw/zinc/66/71/78/410667178.db2.gz IOHJJXLZKQLDTC-ZDUSSCGKSA-N 1 1 318.377 1.673 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330408754 410673374 /nfs/dbraw/zinc/67/33/74/410673374.db2.gz PRTKXHVSXRNDAN-UHFFFAOYSA-N 1 1 324.381 1.353 20 5 DDBDMO COc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000347801332 410726514 /nfs/dbraw/zinc/72/65/14/410726514.db2.gz TXDYLGCVYHYBJB-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000347801332 410726521 /nfs/dbraw/zinc/72/65/21/410726521.db2.gz TXDYLGCVYHYBJB-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340207725 410754275 /nfs/dbraw/zinc/75/42/75/410754275.db2.gz YXGUXKLVGJFNPS-GHMZBOCLSA-N 1 1 322.287 1.569 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340207725 410754280 /nfs/dbraw/zinc/75/42/80/410754280.db2.gz YXGUXKLVGJFNPS-GHMZBOCLSA-N 1 1 322.287 1.569 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330579869 410794947 /nfs/dbraw/zinc/79/49/47/410794947.db2.gz IHOMCXCZHJJCMT-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000343921696 410811284 /nfs/dbraw/zinc/81/12/84/410811284.db2.gz VFKPXCAFZKVMBN-SWLSCSKDSA-N 1 1 321.377 1.411 20 5 DDBDMO CCc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000301917197 410830239 /nfs/dbraw/zinc/83/02/39/410830239.db2.gz ANWRBMXTBASLGS-SCRDCRAPSA-N 1 1 319.409 1.811 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000330660863 410856215 /nfs/dbraw/zinc/85/62/15/410856215.db2.gz BVJXSTVEQRILKA-SNVBAGLBSA-N 1 1 321.333 1.158 20 5 DDBDMO COC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000330660863 410856220 /nfs/dbraw/zinc/85/62/20/410856220.db2.gz BVJXSTVEQRILKA-SNVBAGLBSA-N 1 1 321.333 1.158 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330664463 410860926 /nfs/dbraw/zinc/86/09/26/410860926.db2.gz GEMMXANVHNQHQW-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330664463 410860932 /nfs/dbraw/zinc/86/09/32/410860932.db2.gz GEMMXANVHNQHQW-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356150762 410862815 /nfs/dbraw/zinc/86/28/15/410862815.db2.gz PGIOBODAWGKLCG-TXEJJXNPSA-N 1 1 323.397 1.426 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356150092 410864561 /nfs/dbraw/zinc/86/45/61/410864561.db2.gz HSPBMPYURKVEER-LLVKDONJSA-N 1 1 309.370 1.323 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344038838 410912450 /nfs/dbraw/zinc/91/24/50/410912450.db2.gz GKCPKLRRRBTWPL-NJZAAPMLSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344038838 410912456 /nfs/dbraw/zinc/91/24/56/410912456.db2.gz GKCPKLRRRBTWPL-NJZAAPMLSA-N 1 1 319.361 1.544 20 5 DDBDMO Cn1nccc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348368871 410938054 /nfs/dbraw/zinc/93/80/54/410938054.db2.gz KLWHFGVICXGMKG-ZDUSSCGKSA-N 1 1 320.349 1.200 20 5 DDBDMO Cn1nccc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348368871 410938059 /nfs/dbraw/zinc/93/80/59/410938059.db2.gz KLWHFGVICXGMKG-ZDUSSCGKSA-N 1 1 320.349 1.200 20 5 DDBDMO CC(=O)NC1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000344051448 410923395 /nfs/dbraw/zinc/92/33/95/410923395.db2.gz ANOPKLJAQOTIDU-UHFFFAOYSA-N 1 1 309.370 1.207 20 5 DDBDMO CC(=O)NC1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000344051448 410923399 /nfs/dbraw/zinc/92/33/99/410923399.db2.gz ANOPKLJAQOTIDU-UHFFFAOYSA-N 1 1 309.370 1.207 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331250740 411041600 /nfs/dbraw/zinc/04/16/00/411041600.db2.gz ZYWNFEGAXGSVJG-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331250740 411041603 /nfs/dbraw/zinc/04/16/03/411041603.db2.gz ZYWNFEGAXGSVJG-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331250740 411041607 /nfs/dbraw/zinc/04/16/07/411041607.db2.gz ZYWNFEGAXGSVJG-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331430501 411086732 /nfs/dbraw/zinc/08/67/32/411086732.db2.gz CDGQKCSYECETFG-GXFFZTMASA-N 1 1 319.361 1.816 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000353687821 411109554 /nfs/dbraw/zinc/10/95/54/411109554.db2.gz JPTNSWVDTFBVLF-UHFFFAOYSA-N 1 1 304.306 1.295 20 5 DDBDMO C[C@H](O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130782267 196109225 /nfs/dbraw/zinc/10/92/25/196109225.db2.gz KHZHTBNXSASBIW-NSHDSACASA-N 1 1 304.350 1.808 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665999 226104524 /nfs/dbraw/zinc/10/45/24/226104524.db2.gz KJOKVXOJRGIMRP-HOCLYGCPSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000374018911 418483874 /nfs/dbraw/zinc/48/38/74/418483874.db2.gz QCDWTCAAEFIBHI-UMVBOHGHSA-N 1 1 324.381 1.450 20 5 DDBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000374018911 418483876 /nfs/dbraw/zinc/48/38/76/418483876.db2.gz QCDWTCAAEFIBHI-UMVBOHGHSA-N 1 1 324.381 1.450 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374139250 418493766 /nfs/dbraw/zinc/49/37/66/418493766.db2.gz ABKDLWAHKNDYTF-DGCLKSJQSA-N 1 1 306.322 1.235 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000191678724 222107296 /nfs/dbraw/zinc/10/72/96/222107296.db2.gz WECAAVLCWGPBQZ-NWDGAFQWSA-N 1 1 321.381 1.368 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000190378186 222076964 /nfs/dbraw/zinc/07/69/64/222076964.db2.gz HFPRSXBPTVQTSU-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015956 418588133 /nfs/dbraw/zinc/58/81/33/418588133.db2.gz DHABDNAWXQEBJG-XHDPSFHLSA-N 1 1 318.377 1.220 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375052762 418596005 /nfs/dbraw/zinc/59/60/05/418596005.db2.gz ZLZVUUFUZYGOEC-QMTHXVAHSA-N 1 1 304.350 1.224 20 5 DDBDMO Cc1ccc(C[N@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000361520407 418669196 /nfs/dbraw/zinc/66/91/96/418669196.db2.gz UCDTZIVXPMKNRL-UHFFFAOYSA-N 1 1 321.333 1.152 20 5 DDBDMO Cc1ccc(C[N@@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000361520407 418669198 /nfs/dbraw/zinc/66/91/98/418669198.db2.gz UCDTZIVXPMKNRL-UHFFFAOYSA-N 1 1 321.333 1.152 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586780 418688128 /nfs/dbraw/zinc/68/81/28/418688128.db2.gz UJOCKURRZLRCRE-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372014015 418831397 /nfs/dbraw/zinc/83/13/97/418831397.db2.gz SUCDDWSFVDLVSF-UHFFFAOYSA-N 1 1 322.365 1.174 20 5 DDBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCC1CCC1 ZINC000365520636 418870967 /nfs/dbraw/zinc/87/09/67/418870967.db2.gz YINZSIXFRPKCSC-UHFFFAOYSA-N 1 1 321.381 1.345 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411567113 419346716 /nfs/dbraw/zinc/34/67/16/419346716.db2.gz IUQOTEKZTCMPIP-CYBMUJFWSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1COC1 ZINC000411775664 419404645 /nfs/dbraw/zinc/40/46/45/419404645.db2.gz SKJSXZQXVTWXIV-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000426220769 419411763 /nfs/dbraw/zinc/41/17/63/419411763.db2.gz SZQQOKRWRSKUSJ-CYBMUJFWSA-N 1 1 307.350 1.404 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420940693 419368494 /nfs/dbraw/zinc/36/84/94/419368494.db2.gz RQYVTNBVQVNOGX-JNSHFYNHSA-N 1 1 319.361 1.124 20 5 DDBDMO COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411915477 419484288 /nfs/dbraw/zinc/48/42/88/419484288.db2.gz ZHEDROKJBCKGPO-CYBMUJFWSA-N 1 1 307.350 1.131 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CCO ZINC000426272487 419425689 /nfs/dbraw/zinc/42/56/89/419425689.db2.gz XJIPQPBTBYZEDS-NSHDSACASA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000426272487 419425696 /nfs/dbraw/zinc/42/56/96/419425696.db2.gz XJIPQPBTBYZEDS-NSHDSACASA-N 1 1 323.349 1.389 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000426799643 419550300 /nfs/dbraw/zinc/55/03/00/419550300.db2.gz LPHPESPCPLEAQY-LBPRGKRZSA-N 1 1 308.382 1.852 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412039220 419582105 /nfs/dbraw/zinc/58/21/05/419582105.db2.gz JHBLFBMSSKEWGM-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412039220 419582115 /nfs/dbraw/zinc/58/21/15/419582115.db2.gz JHBLFBMSSKEWGM-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412067518 419616985 /nfs/dbraw/zinc/61/69/85/419616985.db2.gz DTNIRYVEFAANPZ-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412067518 419616994 /nfs/dbraw/zinc/61/69/94/419616994.db2.gz DTNIRYVEFAANPZ-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412088474 419644463 /nfs/dbraw/zinc/64/44/63/419644463.db2.gz WSENGSQXTKWRBH-LBPRGKRZSA-N 1 1 310.375 1.933 20 5 DDBDMO CC(C)Oc1cc(C(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000412213927 419725131 /nfs/dbraw/zinc/72/51/31/419725131.db2.gz XIBXLQRFVXIQNE-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968833 419778534 /nfs/dbraw/zinc/77/85/34/419778534.db2.gz VHDAEBSRGVCDHV-FZMZJTMJSA-N 1 1 319.361 1.514 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000429143336 419975054 /nfs/dbraw/zinc/97/50/54/419975054.db2.gz OYFDZDUHOSQZIN-UHFFFAOYSA-N 1 1 322.365 1.429 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]([NH3+])C1CC1 ZINC000423317284 420012268 /nfs/dbraw/zinc/01/22/68/420012268.db2.gz KGMTZPDVIJGKJM-HZMBPMFUSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](N)C1CC1 ZINC000423317284 420012272 /nfs/dbraw/zinc/01/22/72/420012272.db2.gz KGMTZPDVIJGKJM-HZMBPMFUSA-N 1 1 306.366 1.639 20 5 DDBDMO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430968963 420227792 /nfs/dbraw/zinc/22/77/92/420227792.db2.gz ZVFKQJNQPJGQIG-CYBMUJFWSA-N 1 1 320.393 1.773 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420741558 420374614 /nfs/dbraw/zinc/37/46/14/420374614.db2.gz STYGWEXVPBHEDW-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425505705 420403527 /nfs/dbraw/zinc/40/35/27/420403527.db2.gz YWKLQIDLLTXKEO-ZDUSSCGKSA-N 1 1 317.349 1.902 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454150248 420807281 /nfs/dbraw/zinc/80/72/81/420807281.db2.gz QJVRXOKNIPOJBV-CQSZACIVSA-N 1 1 322.365 1.563 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459803599 420878118 /nfs/dbraw/zinc/87/81/18/420878118.db2.gz JYQDBDVVDOSTBT-NSHDSACASA-N 1 1 312.370 1.701 20 5 DDBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459836702 420889259 /nfs/dbraw/zinc/88/92/59/420889259.db2.gz ZNFCFRXEXCGENW-SCDSUCTJSA-N 1 1 323.349 1.234 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769098 421060139 /nfs/dbraw/zinc/06/01/39/421060139.db2.gz YUSJAPJMERAGML-NXEZZACHSA-N 1 1 307.354 1.244 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000523285001 421233273 /nfs/dbraw/zinc/23/32/73/421233273.db2.gz PULOYRUZHBJPOQ-LBPRGKRZSA-N 1 1 323.397 1.373 20 5 DDBDMO COc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525293088 421287627 /nfs/dbraw/zinc/28/76/27/421287627.db2.gz WHMPMZQFESVUTB-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000531634631 421641157 /nfs/dbraw/zinc/64/11/57/421641157.db2.gz BSILMQBNOYCVHL-RISCZKNCSA-N 1 1 306.366 1.792 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000531634750 421642089 /nfs/dbraw/zinc/64/20/89/421642089.db2.gz JOTPWECCMASVLG-NWDGAFQWSA-N 1 1 306.366 1.935 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000572672816 421810827 /nfs/dbraw/zinc/81/08/27/421810827.db2.gz NKAVBRHCTMFOMV-HNNXBMFYSA-N 1 1 304.350 1.548 20 5 DDBDMO O=C1C[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960200 421874987 /nfs/dbraw/zinc/87/49/87/421874987.db2.gz HCNHCLOGAZDERY-WCQYABFASA-N 1 1 303.318 1.189 20 5 DDBDMO O=C1C[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960200 421874992 /nfs/dbraw/zinc/87/49/92/421874992.db2.gz HCNHCLOGAZDERY-WCQYABFASA-N 1 1 303.318 1.189 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587415713 422313836 /nfs/dbraw/zinc/31/38/36/422313836.db2.gz CXVPGNLHSLTFFC-SNVBAGLBSA-N 1 1 317.349 2.140 20 5 DDBDMO Nc1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc1[N+](=O)[O-] ZINC000596569632 422380821 /nfs/dbraw/zinc/38/08/21/422380821.db2.gz ALUCPJIEJRPVRY-GFCCVEGCSA-N 1 1 305.382 2.106 20 5 DDBDMO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CCC2)C1 ZINC000344732966 272103961 /nfs/dbraw/zinc/10/39/61/272103961.db2.gz ULVQEXCAVYWYKK-LLVKDONJSA-N 1 1 321.381 1.275 20 5 DDBDMO CCOc1cccc(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000274982844 273709179 /nfs/dbraw/zinc/70/91/79/273709179.db2.gz BVMQYWZSQWREEP-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000450780244 274004709 /nfs/dbraw/zinc/00/47/09/274004709.db2.gz PVVFIYBQCVVQKV-SMDDNHRTSA-N 1 1 305.334 1.522 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[N@H+](CCO)CC2)c1 ZINC000450319525 275038637 /nfs/dbraw/zinc/03/86/37/275038637.db2.gz ZAOGTPNAOBLWTO-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339396123 276220873 /nfs/dbraw/zinc/22/08/73/276220873.db2.gz TWECKCWIRXRMQP-STQMWFEESA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932450 281029892 /nfs/dbraw/zinc/02/98/92/281029892.db2.gz JHGMMIAMAZEULC-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932450 281029894 /nfs/dbraw/zinc/02/98/94/281029894.db2.gz JHGMMIAMAZEULC-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932453 281030040 /nfs/dbraw/zinc/03/00/40/281030040.db2.gz JHGMMIAMAZEULC-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000089932453 281030041 /nfs/dbraw/zinc/03/00/41/281030041.db2.gz JHGMMIAMAZEULC-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(CO)o3)C2)nc1 ZINC000093534484 281042727 /nfs/dbraw/zinc/04/27/27/281042727.db2.gz NAVCLDYHJCGNIY-NSHDSACASA-N 1 1 318.333 1.762 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732632 290175403 /nfs/dbraw/zinc/17/54/03/290175403.db2.gz GCQVBDUUNXUHKH-CMPLNLGQSA-N 1 1 319.365 1.009 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362287588 300044373 /nfs/dbraw/zinc/04/43/73/300044373.db2.gz OKAYVEIMXGJVHB-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094695 300209362 /nfs/dbraw/zinc/20/93/62/300209362.db2.gz HJUNASPVYGGADS-UONOGXRCSA-N 1 1 320.349 1.580 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000363435614 300266746 /nfs/dbraw/zinc/26/67/46/300266746.db2.gz VQBRZRMAKXNHAG-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000369535744 301195995 /nfs/dbraw/zinc/19/59/95/301195995.db2.gz CDAZQCPDSRIJDA-ZFWWWQNUSA-N 1 1 324.381 1.451 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC000369981750 301251345 /nfs/dbraw/zinc/25/13/45/301251345.db2.gz CYMBKKKSLFGHQJ-ZWNOBZJWSA-N 1 1 319.365 1.128 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377632357 302201102 /nfs/dbraw/zinc/20/11/02/302201102.db2.gz UWTUBQCEGDRUMB-GHMZBOCLSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377632357 302201104 /nfs/dbraw/zinc/20/11/04/302201104.db2.gz UWTUBQCEGDRUMB-GHMZBOCLSA-N 1 1 309.753 1.816 20 5 DDBDMO CN(C(=O)C[NH+]1CCC2(CCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000367106224 307086069 /nfs/dbraw/zinc/08/60/69/307086069.db2.gz IAEZEKAKUDASSX-UHFFFAOYSA-N 1 1 319.361 1.813 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373813344 307195727 /nfs/dbraw/zinc/19/57/27/307195727.db2.gz SXVINOZPVPJYNI-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373813344 307195728 /nfs/dbraw/zinc/19/57/28/307195728.db2.gz SXVINOZPVPJYNI-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373938682 307198221 /nfs/dbraw/zinc/19/82/21/307198221.db2.gz OGZYIQHHQBBERN-QWHCGFSZSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C1CC2(CN1)CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000374077930 307202826 /nfs/dbraw/zinc/20/28/26/307202826.db2.gz HQQZBPZGKFWXBT-UHFFFAOYSA-N 1 1 307.325 1.836 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375203073 307218504 /nfs/dbraw/zinc/21/85/04/307218504.db2.gz TXFDLFCQQUYIMF-UHFFFAOYSA-N 1 1 321.381 1.337 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)C[C@@H]21 ZINC000376662929 307252455 /nfs/dbraw/zinc/25/24/55/307252455.db2.gz DANQRIJTORCLAL-MFKMUULPSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000378489998 307289504 /nfs/dbraw/zinc/28/95/04/307289504.db2.gz CEJKPQKVTXHWNH-BXUZGUMPSA-N 1 1 304.350 1.464 20 5 DDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])CC2 ZINC000582742794 337128316 /nfs/dbraw/zinc/12/83/16/337128316.db2.gz MZEITVOIWYWCHF-ZDUSSCGKSA-N 1 1 314.345 1.979 20 5 DDBDMO CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796298 484239559 /nfs/dbraw/zinc/23/95/59/484239559.db2.gz OTSKTBCHCUMZAA-JSGCOSHPSA-N 1 1 324.381 1.262 20 5 DDBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000297400121 527789422 /nfs/dbraw/zinc/78/94/22/527789422.db2.gz FSYMEAUFNUHXDP-CYBMUJFWSA-N 1 1 323.397 1.630 20 5 DDBDMO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423017457 527902248 /nfs/dbraw/zinc/90/22/48/527902248.db2.gz ORDBLJNXCCSDEL-VHRBIJSZSA-N 1 1 307.350 1.539 20 5 DDBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCOCC1 ZINC000330427708 528461881 /nfs/dbraw/zinc/46/18/81/528461881.db2.gz GFVVLWWOPGMIND-CYBMUJFWSA-N 1 1 324.381 1.020 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(C(N)=O)c1 ZINC000747959451 700093326 /nfs/dbraw/zinc/09/33/26/700093326.db2.gz PENHVFZKKZEDSV-UHFFFAOYSA-N 1 1 303.322 1.022 20 5 DDBDMO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000106857505 696628161 /nfs/dbraw/zinc/62/81/61/696628161.db2.gz AJDQAEOUNXVCRK-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000106857505 696628163 /nfs/dbraw/zinc/62/81/63/696628163.db2.gz AJDQAEOUNXVCRK-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153920812 696923958 /nfs/dbraw/zinc/92/39/58/696923958.db2.gz WOEMMHMHEKODFY-ABAIWWIYSA-N 1 1 322.361 1.902 20 5 DDBDMO CN(C)c1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000748511944 700122997 /nfs/dbraw/zinc/12/29/97/700122997.db2.gz UOTDCQUHFZQKBK-UHFFFAOYSA-N 1 1 301.306 1.890 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000178776622 697428753 /nfs/dbraw/zinc/42/87/53/697428753.db2.gz ZGKDOSZCIDNMLF-LBPRGKRZSA-N 1 1 318.333 1.930 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000178776622 697428755 /nfs/dbraw/zinc/42/87/55/697428755.db2.gz ZGKDOSZCIDNMLF-LBPRGKRZSA-N 1 1 318.333 1.930 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000780868833 698566521 /nfs/dbraw/zinc/56/65/21/698566521.db2.gz ZNGIGURVMPBJPD-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2N)[nH+]1 ZINC000787070092 699188716 /nfs/dbraw/zinc/18/87/16/699188716.db2.gz DYZSVNQNSQTLHT-UHFFFAOYSA-N 1 1 315.333 1.722 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787187632 699194910 /nfs/dbraw/zinc/19/49/10/699194910.db2.gz TUFJOXFXHPPYAT-MNOVXSKESA-N 1 1 306.366 1.732 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000787326595 699206342 /nfs/dbraw/zinc/20/63/42/699206342.db2.gz IMCGWWXDCBCSOX-ZLKJLUDKSA-N 1 1 308.334 1.512 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000731018846 699520899 /nfs/dbraw/zinc/52/08/99/699520899.db2.gz AWBWQIJAQSWFAQ-LBPRGKRZSA-N 1 1 304.350 1.391 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000794971406 699838816 /nfs/dbraw/zinc/83/88/16/699838816.db2.gz ILLBDICMMFUZKS-YABSGUDNSA-N 1 1 306.318 1.454 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(OC)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000794971406 699838818 /nfs/dbraw/zinc/83/88/18/699838818.db2.gz ILLBDICMMFUZKS-YABSGUDNSA-N 1 1 306.318 1.454 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796556226 699938664 /nfs/dbraw/zinc/93/86/64/699938664.db2.gz ODHIYUYCDFVFIL-UHOFOFEASA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000796556226 699938665 /nfs/dbraw/zinc/93/86/65/699938665.db2.gz ODHIYUYCDFVFIL-UHOFOFEASA-N 1 1 322.361 1.508 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801994005 700362516 /nfs/dbraw/zinc/36/25/16/700362516.db2.gz VMODWNSIPHPMNJ-HNNXBMFYSA-N 1 1 312.366 1.348 20 5 DDBDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000754873326 700535254 /nfs/dbraw/zinc/53/52/54/700535254.db2.gz OIFNRVFIAXIOKI-UHFFFAOYSA-N 1 1 324.381 1.988 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000755939930 700594095 /nfs/dbraw/zinc/59/40/95/700594095.db2.gz ZRBKKJDDRRTWMG-ZWNOBZJWSA-N 1 1 318.333 1.643 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758115699 700684602 /nfs/dbraw/zinc/68/46/02/700684602.db2.gz ZEMUPSCUCATABD-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO C[C@@H]1COCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769455706 701245494 /nfs/dbraw/zinc/24/54/94/701245494.db2.gz JGOJHZGUOCIRIB-NSHDSACASA-N 1 1 308.334 1.834 20 5 DDBDMO C[C@@H]1COCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769455706 701245495 /nfs/dbraw/zinc/24/54/95/701245495.db2.gz JGOJHZGUOCIRIB-NSHDSACASA-N 1 1 308.334 1.834 20 5 DDBDMO C[N@H+](CCc1cnccn1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000770663374 701288834 /nfs/dbraw/zinc/28/88/34/701288834.db2.gz MFUQPTMTGQBJJD-UHFFFAOYSA-N 1 1 312.333 1.867 20 5 DDBDMO C[N@@H+](CCc1cnccn1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000770663374 701288835 /nfs/dbraw/zinc/28/88/35/701288835.db2.gz MFUQPTMTGQBJJD-UHFFFAOYSA-N 1 1 312.333 1.867 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406646 701318831 /nfs/dbraw/zinc/31/88/31/701318831.db2.gz PDVKGQFKAGFYLB-WDEREUQCSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406646 701318832 /nfs/dbraw/zinc/31/88/32/701318832.db2.gz PDVKGQFKAGFYLB-WDEREUQCSA-N 1 1 306.366 1.650 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839636233 701762308 /nfs/dbraw/zinc/76/23/08/701762308.db2.gz PEMDUCYTWWANKD-NSHDSACASA-N 1 1 322.321 1.413 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812319723 702145425 /nfs/dbraw/zinc/14/54/25/702145425.db2.gz QLMDAJPUBXPWEF-KGLIPLIRSA-N 1 1 303.362 1.927 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812330417 702154672 /nfs/dbraw/zinc/15/46/72/702154672.db2.gz NFIOENHLMJCZBX-KGLIPLIRSA-N 1 1 303.362 1.547 20 5 DDBDMO Nc1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000843169716 702832443 /nfs/dbraw/zinc/83/24/43/702832443.db2.gz LSKVYMUSDYRVKB-SNVBAGLBSA-N 1 1 319.321 1.496 20 5 DDBDMO CC1([NH3+])CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843375332 702869697 /nfs/dbraw/zinc/86/96/97/702869697.db2.gz HRNRPLKJMGJWIP-UHFFFAOYSA-N 1 1 324.356 1.876 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc(F)n3)CC2)n1 ZINC000831477473 706715048 /nfs/dbraw/zinc/71/50/48/706715048.db2.gz FZBIRQURSFKXKU-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO CCN1C[C@@H](C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000846893003 703347728 /nfs/dbraw/zinc/34/77/28/703347728.db2.gz DWEOHQXITBRUEZ-CQSZACIVSA-N 1 1 307.350 1.910 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000879687718 706759587 /nfs/dbraw/zinc/75/95/87/706759587.db2.gz VPAUFDKACNHCCQ-JTQLQIEISA-N 1 1 318.333 1.966 20 5 DDBDMO NC(=O)C1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000852494180 704061529 /nfs/dbraw/zinc/06/15/29/704061529.db2.gz XLUAOJSQYLTTGA-UHFFFAOYSA-N 1 1 313.741 1.372 20 5 DDBDMO COC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000852767745 704119417 /nfs/dbraw/zinc/11/94/17/704119417.db2.gz PSVANCHXTWBAIF-UHFFFAOYSA-N 1 1 323.349 1.924 20 5 DDBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789978 704133021 /nfs/dbraw/zinc/13/30/21/704133021.db2.gz LFZVPOHFWALDKJ-VXGBXAGGSA-N 1 1 310.354 1.597 20 5 DDBDMO CCN(C[C@@H]1CCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870875365 704153731 /nfs/dbraw/zinc/15/37/31/704153731.db2.gz LUKUNUFUXKUTHQ-LRDDRELGSA-N 1 1 321.377 1.654 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855159448 704471548 /nfs/dbraw/zinc/47/15/48/704471548.db2.gz AMUBXRNLFFMIBM-SNVBAGLBSA-N 1 1 321.381 1.422 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000855285639 704477306 /nfs/dbraw/zinc/47/73/06/704477306.db2.gz HLZFOLXZGDWMJX-SECBINFHSA-N 1 1 307.354 1.175 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000821884218 704834017 /nfs/dbraw/zinc/83/40/17/704834017.db2.gz QPBIFKOYNFZPEL-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000874822361 705181764 /nfs/dbraw/zinc/18/17/64/705181764.db2.gz ARBBDDZLZGIVMT-UONOGXRCSA-N 1 1 321.352 1.972 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839959 705196116 /nfs/dbraw/zinc/19/61/16/705196116.db2.gz YOHLHBPDTOZNQS-GHMZBOCLSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839959 705196117 /nfs/dbraw/zinc/19/61/17/705196117.db2.gz YOHLHBPDTOZNQS-GHMZBOCLSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839959 705196118 /nfs/dbraw/zinc/19/61/18/705196118.db2.gz YOHLHBPDTOZNQS-GHMZBOCLSA-N 1 1 321.381 1.750 20 5 DDBDMO CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000823500096 705256166 /nfs/dbraw/zinc/25/61/66/705256166.db2.gz UPURNWSOZZZJIO-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000861352437 705441139 /nfs/dbraw/zinc/44/11/39/705441139.db2.gz JDISQSIEPGTBPT-FZMZJTMJSA-N 1 1 302.371 1.474 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300343 705971271 /nfs/dbraw/zinc/97/12/71/705971271.db2.gz MJACEPXRDOTZIK-HOCLYGCPSA-N 1 1 317.389 1.998 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827371934 705988204 /nfs/dbraw/zinc/98/82/04/705988204.db2.gz BELWJINKVDYOSD-YPMHNXCESA-N 1 1 304.350 1.343 20 5 DDBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608273 706158046 /nfs/dbraw/zinc/15/80/46/706158046.db2.gz ODRSQNPIKDUHAW-STQMWFEESA-N 1 1 322.361 1.567 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864610879 706211838 /nfs/dbraw/zinc/21/18/38/706211838.db2.gz VBAGLXZVUVCWOE-LBPRGKRZSA-N 1 1 309.341 1.877 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000877976684 706256418 /nfs/dbraw/zinc/25/64/18/706256418.db2.gz YAJUFZGHYKAIBB-ZDUSSCGKSA-N 1 1 318.381 1.713 20 5 DDBDMO Cc1ccc(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865655190 706488614 /nfs/dbraw/zinc/48/86/14/706488614.db2.gz AHBXQXFYKCCCCM-AWEZNQCLSA-N 1 1 307.394 1.838 20 5 DDBDMO Cc1ccc(CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865655190 706488615 /nfs/dbraw/zinc/48/86/15/706488615.db2.gz AHBXQXFYKCCCCM-AWEZNQCLSA-N 1 1 307.394 1.838 20 5 DDBDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880040605 706861034 /nfs/dbraw/zinc/86/10/34/706861034.db2.gz YFRYXCROOCPXCE-LBPRGKRZSA-N 1 1 310.354 1.457 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880528628 707005198 /nfs/dbraw/zinc/00/51/98/707005198.db2.gz FJCYPLQFDLTCTP-TUKIKUTGSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880528628 707005201 /nfs/dbraw/zinc/00/52/01/707005201.db2.gz FJCYPLQFDLTCTP-TUKIKUTGSA-N 1 1 319.361 1.229 20 5 DDBDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068874 707287378 /nfs/dbraw/zinc/28/73/78/707287378.db2.gz JTGXBXDQMPAAFO-SECBINFHSA-N 1 1 316.354 1.962 20 5 DDBDMO Cc1c(C[NH2+]C[C@H](C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873044704 707706778 /nfs/dbraw/zinc/70/67/78/707706778.db2.gz VTSAIGHNRXIOEI-ZDUSSCGKSA-N 1 1 306.410 1.629 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1 ZINC000896912957 708181014 /nfs/dbraw/zinc/18/10/14/708181014.db2.gz LTBGYBHESFJARO-BLLLJJGKSA-N 1 1 319.361 1.769 20 5 DDBDMO Cc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220415 708258551 /nfs/dbraw/zinc/25/85/51/708258551.db2.gz AYBTWJRBMLILOM-CHWSQXEVSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1C ZINC000897397984 708315178 /nfs/dbraw/zinc/31/51/78/708315178.db2.gz PENAQBOCEMSDCF-OAHLLOKOSA-N 1 1 307.350 1.008 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000886032725 708685274 /nfs/dbraw/zinc/68/52/74/708685274.db2.gz MPTXKLJPGDWDMM-CQSZACIVSA-N 1 1 307.350 1.760 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886208039 708715114 /nfs/dbraw/zinc/71/51/14/708715114.db2.gz SXHPXXBVWYBAHY-UHFFFAOYSA-N 1 1 309.414 1.305 20 5 DDBDMO CN(CCCN(C)Cc1cccnc1[N+](=O)[O-])CC[NH+](C)C ZINC000886208039 708715115 /nfs/dbraw/zinc/71/51/15/708715115.db2.gz SXHPXXBVWYBAHY-UHFFFAOYSA-N 1 1 309.414 1.305 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000886597442 708787582 /nfs/dbraw/zinc/78/75/82/708787582.db2.gz DUCHYKXUMZBTDQ-LBPRGKRZSA-N 1 1 322.365 1.498 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3ncccn3)C2)n1 ZINC000886681123 708812909 /nfs/dbraw/zinc/81/29/09/708812909.db2.gz SLSWNTSDWOPUBX-LBPRGKRZSA-N 1 1 302.338 1.461 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@H](NC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000886854605 708864891 /nfs/dbraw/zinc/86/48/91/708864891.db2.gz VACRTVSFPWUYFN-LBPRGKRZSA-N 1 1 323.349 1.924 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000886854605 708864893 /nfs/dbraw/zinc/86/48/93/708864893.db2.gz VACRTVSFPWUYFN-LBPRGKRZSA-N 1 1 323.349 1.924 20 5 DDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CCO ZINC000899737206 709183815 /nfs/dbraw/zinc/18/38/15/709183815.db2.gz DDWPZFBTVZJZLT-AWEZNQCLSA-N 1 1 323.393 1.204 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090927 713126495 /nfs/dbraw/zinc/12/64/95/713126495.db2.gz BJPIUVKPLGRILA-GXSJLCMTSA-N 1 1 310.379 1.233 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090927 713126498 /nfs/dbraw/zinc/12/64/98/713126498.db2.gz BJPIUVKPLGRILA-GXSJLCMTSA-N 1 1 310.379 1.233 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892418106 710434121 /nfs/dbraw/zinc/43/41/21/710434121.db2.gz MZQJGZPLMNSOFH-GFCCVEGCSA-N 1 1 306.366 1.878 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc3nonc3c2[N+](=O)[O-])C1 ZINC000892730835 710489140 /nfs/dbraw/zinc/48/91/40/710489140.db2.gz KBINOXDTZGLVPR-JTQLQIEISA-N 1 1 305.338 1.909 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928431522 713192635 /nfs/dbraw/zinc/19/26/35/713192635.db2.gz FBEXYQXVJIIWOX-SMDDNHRTSA-N 1 1 319.361 1.767 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435833 713194619 /nfs/dbraw/zinc/19/46/19/713194619.db2.gz DEAFQGRXNCMFBS-NEPJUHHUSA-N 1 1 306.366 1.240 20 5 DDBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928452606 713203838 /nfs/dbraw/zinc/20/38/38/713203838.db2.gz NFAFISGKRFEFLQ-ZYHUDNBSSA-N 1 1 307.350 1.816 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000893936007 710892633 /nfs/dbraw/zinc/89/26/33/710892633.db2.gz TYNZPZWGTDGQJQ-JGVFFNPUSA-N 1 1 319.287 1.487 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000928554903 713224371 /nfs/dbraw/zinc/22/43/71/713224371.db2.gz LBUSIIWDRLMKAS-SNVBAGLBSA-N 1 1 300.318 1.577 20 5 DDBDMO C[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1CO ZINC000894883894 711307722 /nfs/dbraw/zinc/30/77/22/711307722.db2.gz BKVICEWRKUUAJK-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO COc1c(O)ccc(C[N@H+](C)C[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000895364442 711494785 /nfs/dbraw/zinc/49/47/85/711494785.db2.gz PVWZBWZOBDGVBR-NSHDSACASA-N 1 1 312.322 1.156 20 5 DDBDMO COc1c(O)ccc(C[N@@H+](C)C[C@H]2COCCO2)c1[N+](=O)[O-] ZINC000895364442 711494787 /nfs/dbraw/zinc/49/47/87/711494787.db2.gz PVWZBWZOBDGVBR-NSHDSACASA-N 1 1 312.322 1.156 20 5 DDBDMO Cc1c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918395282 713541554 /nfs/dbraw/zinc/54/15/54/713541554.db2.gz MWSPVBUXFGMYOE-SNVBAGLBSA-N 1 1 322.321 1.635 20 5 DDBDMO O=[N+]([O-])CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930454232 713839512 /nfs/dbraw/zinc/83/95/12/713839512.db2.gz FLSUVLVKSSZZDJ-QGZVFWFLSA-N 1 1 318.421 1.155 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000930877557 713947986 /nfs/dbraw/zinc/94/79/86/713947986.db2.gz VOARABLXKHBRDW-LLVKDONJSA-N 1 1 307.354 1.278 20 5 DDBDMO O=[N+]([O-])CC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000931252959 714049072 /nfs/dbraw/zinc/04/90/72/714049072.db2.gz PZBJGZJPLRDGDN-UHFFFAOYSA-N 1 1 324.381 1.495 20 5 DDBDMO C[NH+](C)CC1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000931483176 714108402 /nfs/dbraw/zinc/10/84/02/714108402.db2.gz XHVWILNDQNQABE-HNNXBMFYSA-N 1 1 323.393 1.017 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)n1 ZINC000933682118 714647338 /nfs/dbraw/zinc/64/73/38/714647338.db2.gz OMMSDXQRUWEYBV-STQMWFEESA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)n1 ZINC000933682118 714647339 /nfs/dbraw/zinc/64/73/39/714647339.db2.gz OMMSDXQRUWEYBV-STQMWFEESA-N 1 1 310.354 1.061 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC000957547732 715950414 /nfs/dbraw/zinc/95/04/14/715950414.db2.gz NQRKYMPWZNAPNU-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164631364 719254269 /nfs/dbraw/zinc/25/42/69/719254269.db2.gz DODQEMVSIJWTFV-IUCAKERBSA-N 1 1 322.369 1.180 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164631364 719254271 /nfs/dbraw/zinc/25/42/71/719254271.db2.gz DODQEMVSIJWTFV-IUCAKERBSA-N 1 1 322.369 1.180 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923252 721849038 /nfs/dbraw/zinc/84/90/38/721849038.db2.gz UNHOKRDCMBXEFW-KGLIPLIRSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923252 721849040 /nfs/dbraw/zinc/84/90/40/721849040.db2.gz UNHOKRDCMBXEFW-KGLIPLIRSA-N 1 1 305.382 1.204 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001120873809 782202014 /nfs/dbraw/zinc/20/20/14/782202014.db2.gz GYEXGHRHKQUKQF-BLLLJJGKSA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001120873809 782202017 /nfs/dbraw/zinc/20/20/17/782202017.db2.gz GYEXGHRHKQUKQF-BLLLJJGKSA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001120873809 782202022 /nfs/dbraw/zinc/20/20/22/782202022.db2.gz GYEXGHRHKQUKQF-BLLLJJGKSA-N 1 1 322.409 1.787 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2CO)o1 ZINC001167347330 733251226 /nfs/dbraw/zinc/25/12/26/733251226.db2.gz KNWFEXCCEWKMJB-SNVBAGLBSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2CO)o1 ZINC001167347330 733251229 /nfs/dbraw/zinc/25/12/29/733251229.db2.gz KNWFEXCCEWKMJB-SNVBAGLBSA-N 1 1 304.306 1.602 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025645522 736808003 /nfs/dbraw/zinc/80/80/03/736808003.db2.gz NETNXRLWHAQYPB-FICVDOATSA-N 1 1 301.346 1.551 20 5 DDBDMO O=C(NCC[NH2+]CCCCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939434 742881190 /nfs/dbraw/zinc/88/11/90/742881190.db2.gz YDEXUPWDAAPZED-HUUCEWRRSA-N 1 1 321.377 1.217 20 5 DDBDMO COc1cnc(NCC2([NH+]3CCCC3)COC2)cc1[N+](=O)[O-] ZINC001168443682 744923742 /nfs/dbraw/zinc/92/37/42/744923742.db2.gz OLNWAIBQDAQTGK-UHFFFAOYSA-N 1 1 308.338 1.275 20 5 DDBDMO CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195762114 746689196 /nfs/dbraw/zinc/68/91/96/746689196.db2.gz WXKPLWGZYYENFC-ZYDHHDLOSA-N 1 1 309.410 1.932 20 5 DDBDMO CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195762114 746689198 /nfs/dbraw/zinc/68/91/98/746689198.db2.gz WXKPLWGZYYENFC-ZYDHHDLOSA-N 1 1 309.410 1.932 20 5 DDBDMO CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195762114 746689201 /nfs/dbraw/zinc/68/92/01/746689201.db2.gz WXKPLWGZYYENFC-ZYDHHDLOSA-N 1 1 309.410 1.932 20 5 DDBDMO O=C(C1CCC1)N1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169028399 762185430 /nfs/dbraw/zinc/18/54/30/762185430.db2.gz RXQPQMCMDXHHPY-HIFRSBDPSA-N 1 1 309.410 1.766 20 5 DDBDMO C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038235 762192644 /nfs/dbraw/zinc/19/26/44/762192644.db2.gz XGUXSHACXFZCFQ-NWDGAFQWSA-N 1 1 313.398 1.983 20 5 DDBDMO CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1=O ZINC001169019203 762199274 /nfs/dbraw/zinc/19/92/74/762199274.db2.gz FNZDXYVVUCRQKA-YCPHGPKFSA-N 1 1 309.410 1.766 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055296 762209665 /nfs/dbraw/zinc/20/96/65/762209665.db2.gz PBRHVCPJGUSICP-JHJVBQTASA-N 1 1 300.355 1.086 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055296 762209672 /nfs/dbraw/zinc/20/96/72/762209672.db2.gz PBRHVCPJGUSICP-JHJVBQTASA-N 1 1 300.355 1.086 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000828588419 759683900 /nfs/dbraw/zinc/68/39/00/759683900.db2.gz AWBGDIYUZNZRTG-MJBXVCDLSA-N 1 1 321.377 1.113 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334097 766256942 /nfs/dbraw/zinc/25/69/42/766256942.db2.gz BLDCXUKLPVYLEM-AAEUAGOBSA-N 1 1 310.350 1.228 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001145018214 772755920 /nfs/dbraw/zinc/75/59/20/772755920.db2.gz UQIRLYVQLGZYDQ-ZETCQYMHSA-N 1 1 301.734 1.043 20 5 DDBDMO O=C(CCc1cnc[nH]1)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094856340 776526036 /nfs/dbraw/zinc/52/60/36/776526036.db2.gz XSLLBKUMNIERID-UHFFFAOYSA-N 1 1 317.349 1.869 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCN(C)CC1 ZINC001173217068 777048863 /nfs/dbraw/zinc/04/88/63/777048863.db2.gz OXVXSLCVEFTXAJ-OAHLLOKOSA-N 1 1 320.437 1.753 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173227212 777062516 /nfs/dbraw/zinc/06/25/16/777062516.db2.gz OJTNPPXIAJJMPZ-RISCZKNCSA-N 1 1 312.391 1.645 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173227212 777062518 /nfs/dbraw/zinc/06/25/18/777062518.db2.gz OJTNPPXIAJJMPZ-RISCZKNCSA-N 1 1 312.391 1.645 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110193524 778065954 /nfs/dbraw/zinc/06/59/54/778065954.db2.gz KXRLKIMIJCTSRB-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001176735416 778223255 /nfs/dbraw/zinc/22/32/55/778223255.db2.gz WTJDEBONSKOTJY-UHFFFAOYSA-N 1 1 323.349 1.339 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044221 778406354 /nfs/dbraw/zinc/40/63/54/778406354.db2.gz PYRMDUIGBRRLBD-SWLSCSKDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709317 779154622 /nfs/dbraw/zinc/15/46/22/779154622.db2.gz MDOBQLYLOGHHHL-CYBMUJFWSA-N 1 1 309.341 1.733 20 5 DDBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccon1 ZINC001268515539 840356550 /nfs/dbraw/zinc/35/65/50/840356550.db2.gz CCJCLTQRAMVKLJ-UPHRSURJSA-N 1 1 322.346 1.720 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001273359497 849661063 /nfs/dbraw/zinc/66/10/63/849661063.db2.gz HMMGGYBVYLCLSK-PWSUYJOCSA-N 1 1 305.334 1.380 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]([N@@H+](C)C(C)C)C2)n1 ZINC001157010832 863514996 /nfs/dbraw/zinc/51/49/96/863514996.db2.gz TZHCSYMTCVJHCL-NSHDSACASA-N 1 1 309.370 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(O)CCC1)CC2 ZINC001329224489 863546964 /nfs/dbraw/zinc/54/69/64/863546964.db2.gz YHXITANBWMPPBU-HNNXBMFYSA-N 1 1 306.362 1.619 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC1(O)CCC1)CC2 ZINC001329224489 863546972 /nfs/dbraw/zinc/54/69/72/863546972.db2.gz YHXITANBWMPPBU-HNNXBMFYSA-N 1 1 306.362 1.619 20 5 DDBDMO O=C(NCCC[NH2+]Cc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001157760347 864111632 /nfs/dbraw/zinc/11/16/32/864111632.db2.gz DCUQJIGLLZAGJP-NOZJJQNGSA-N 1 1 313.304 1.226 20 5 DDBDMO CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767434 864117863 /nfs/dbraw/zinc/11/78/63/864117863.db2.gz MSIQAIBLAZTMCG-HUUCEWRRSA-N 1 1 305.378 1.510 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159786274 865523370 /nfs/dbraw/zinc/52/33/70/865523370.db2.gz XMNOBXLZZGQKLI-JTQLQIEISA-N 1 1 310.745 1.627 20 5 DDBDMO C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCSCC1 ZINC001324321701 867203479 /nfs/dbraw/zinc/20/34/79/867203479.db2.gz BVRMPRAWCYOCFC-LLVKDONJSA-N 1 1 321.402 1.874 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCCC[C@H]2CO)ncc1[N+](=O)[O-] ZINC001163552209 868523819 /nfs/dbraw/zinc/52/38/19/868523819.db2.gz BZABAXLTIXTERD-CFNZNRNTSA-N 1 1 306.366 1.873 20 5 DDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001339340147 870452334 /nfs/dbraw/zinc/45/23/34/870452334.db2.gz MOXKTVBMGJSKGB-XQQFMLRXSA-N 1 1 324.429 1.802 20 5 DDBDMO Cc1nnc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC001345639995 873463026 /nfs/dbraw/zinc/46/30/26/873463026.db2.gz VUQLHDOWQKGLSC-UHFFFAOYSA-N 1 1 318.337 1.150 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC001347597692 874205748 /nfs/dbraw/zinc/20/57/48/874205748.db2.gz RYERSXZWKPHXGH-TVYUQYBPSA-N 1 1 305.334 1.370 20 5 DDBDMO O=[N+]([O-])c1cnc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227111420 882841279 /nfs/dbraw/zinc/84/12/79/882841279.db2.gz LGMBXRSGJSCRRT-VIFPVBQESA-N 1 1 305.250 1.488 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001354400833 877953420 /nfs/dbraw/zinc/95/34/20/877953420.db2.gz LZAATGFZRANWCD-FRRDWIJNSA-N 1 1 318.377 1.707 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001358285541 880391015 /nfs/dbraw/zinc/39/10/15/880391015.db2.gz DVLSJANIDIXTLC-LBPRGKRZSA-N 1 1 315.333 1.115 20 5 DDBDMO Cc1[nH]c(=O)cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001228686843 883619131 /nfs/dbraw/zinc/61/91/31/883619131.db2.gz RMNAYGGAQFNRKM-GDPRMGEGSA-N 1 1 307.306 1.187 20 5 DDBDMO OC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219396 886166205 /nfs/dbraw/zinc/16/62/05/886166205.db2.gz TZIRRFBKKKXJGR-ZBFHGGJFSA-N 1 1 309.369 1.568 20 5 DDBDMO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246087557 892409069 /nfs/dbraw/zinc/40/90/69/892409069.db2.gz OZWDOPFCTPYFKC-LEWSCRJBSA-N 1 1 311.357 1.824 20 5 DDBDMO O=C1NCC[C@@]12CCC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598324 896523804 /nfs/dbraw/zinc/52/38/04/896523804.db2.gz WHRJMOOUTXTYJI-DOTOQJQBSA-N 1 1 315.373 1.664 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605013 896526428 /nfs/dbraw/zinc/52/64/28/896526428.db2.gz ZTGIHZHPVJIJNU-IUODEOHRSA-N 1 1 304.346 1.947 20 5 DDBDMO COc1cc(N2CCC([N@@H+](C)C3COC3)CC2)ccc1[N+](=O)[O-] ZINC001256098941 897282549 /nfs/dbraw/zinc/28/25/49/897282549.db2.gz GJIGLXOYSKSMCX-UHFFFAOYSA-N 1 1 321.377 1.903 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001262705525 900320974 /nfs/dbraw/zinc/32/09/74/900320974.db2.gz LIMGDEHWRCWJDU-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001262705525 900320983 /nfs/dbraw/zinc/32/09/83/900320983.db2.gz LIMGDEHWRCWJDU-MEDUHNTESA-N 1 1 320.393 1.844 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292806232 529388124 /nfs/dbraw/zinc/38/81/24/529388124.db2.gz YVFBBPFKBIEZBG-GFCCVEGCSA-N 1 1 311.357 1.935 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CN1 ZINC000278741795 214368879 /nfs/dbraw/zinc/36/88/79/214368879.db2.gz AGLZGFZRDDLQHX-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CN1 ZINC000278741795 214368880 /nfs/dbraw/zinc/36/88/80/214368880.db2.gz AGLZGFZRDDLQHX-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000319271565 231182290 /nfs/dbraw/zinc/18/22/90/231182290.db2.gz FBEGNJRNQYUUQH-CQSZACIVSA-N 1 1 309.341 1.640 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000319271565 231182294 /nfs/dbraw/zinc/18/22/94/231182294.db2.gz FBEGNJRNQYUUQH-CQSZACIVSA-N 1 1 309.341 1.640 20 5 DDBDMO CC[C@]1(O)CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000495225946 529441636 /nfs/dbraw/zinc/44/16/36/529441636.db2.gz RAYRPTQGVKLPHB-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000495225946 529441639 /nfs/dbraw/zinc/44/16/39/529441639.db2.gz RAYRPTQGVKLPHB-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000088059424 185238504 /nfs/dbraw/zinc/23/85/04/185238504.db2.gz CYLNAJOBHQNWID-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO CC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614831801 362041899 /nfs/dbraw/zinc/04/18/99/362041899.db2.gz SOMBKZYWIMEXCG-UHFFFAOYSA-N 1 1 322.365 1.515 20 5 DDBDMO CC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614831801 362041902 /nfs/dbraw/zinc/04/19/02/362041902.db2.gz SOMBKZYWIMEXCG-UHFFFAOYSA-N 1 1 322.365 1.515 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000255417900 282255989 /nfs/dbraw/zinc/25/59/89/282255989.db2.gz NBTVRIHNBQAFBW-DANTVBBOSA-N 1 1 301.346 1.915 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000255831611 282280423 /nfs/dbraw/zinc/28/04/23/282280423.db2.gz KGURSSPIIOIYIP-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425063977 529822717 /nfs/dbraw/zinc/82/27/17/529822717.db2.gz GVOLTCURYFQOMQ-GXFFZTMASA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272748878 210152278 /nfs/dbraw/zinc/15/22/78/210152278.db2.gz NYZOGGJQKYFWBP-LBPRGKRZSA-N 1 1 303.362 1.904 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000330708698 232009358 /nfs/dbraw/zinc/00/93/58/232009358.db2.gz RJMVAUKRVUADNR-LBPRGKRZSA-N 1 1 306.366 1.019 20 5 DDBDMO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000458215461 530060819 /nfs/dbraw/zinc/06/08/19/530060819.db2.gz NHABCSBYMVMHQP-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000458215461 530060820 /nfs/dbraw/zinc/06/08/20/530060820.db2.gz NHABCSBYMVMHQP-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748435 215111872 /nfs/dbraw/zinc/11/18/72/215111872.db2.gz LEEKUTLAUHXQLY-BXUZGUMPSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748435 215111876 /nfs/dbraw/zinc/11/18/76/215111876.db2.gz LEEKUTLAUHXQLY-BXUZGUMPSA-N 1 1 321.377 1.933 20 5 DDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000279905614 215224916 /nfs/dbraw/zinc/22/49/16/215224916.db2.gz VKISUZMBVHIWNW-CQSZACIVSA-N 1 1 319.361 1.187 20 5 DDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000279905614 215224920 /nfs/dbraw/zinc/22/49/20/215224920.db2.gz VKISUZMBVHIWNW-CQSZACIVSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138226314 186014739 /nfs/dbraw/zinc/01/47/39/186014739.db2.gz NENGFHYCNVQBEL-JTQLQIEISA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138226314 186014740 /nfs/dbraw/zinc/01/47/40/186014740.db2.gz NENGFHYCNVQBEL-JTQLQIEISA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138226314 186014742 /nfs/dbraw/zinc/01/47/42/186014742.db2.gz NENGFHYCNVQBEL-JTQLQIEISA-N 1 1 309.370 1.558 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172041311 198030047 /nfs/dbraw/zinc/03/00/47/198030047.db2.gz UTQRTFHLXYIGHF-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000066924606 353025783 /nfs/dbraw/zinc/02/57/83/353025783.db2.gz VUCWYACYRDTNSX-UHFFFAOYSA-N 1 1 321.333 1.190 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174296072 198316619 /nfs/dbraw/zinc/31/66/19/198316619.db2.gz WJEZXFKEUYGRMU-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174296072 198316621 /nfs/dbraw/zinc/31/66/21/198316621.db2.gz WJEZXFKEUYGRMU-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000174673063 198368847 /nfs/dbraw/zinc/36/88/47/198368847.db2.gz OVOUVJYNXDMNSG-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000140004038 354133421 /nfs/dbraw/zinc/13/34/21/354133421.db2.gz CEVOVUOLUANJJF-YUTCNCBUSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000140004038 354133423 /nfs/dbraw/zinc/13/34/23/354133423.db2.gz CEVOVUOLUANJJF-YUTCNCBUSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000140004038 354133427 /nfs/dbraw/zinc/13/34/27/354133427.db2.gz CEVOVUOLUANJJF-YUTCNCBUSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000139008141 354124987 /nfs/dbraw/zinc/12/49/87/354124987.db2.gz MGUNDAUQICQWRY-AWEZNQCLSA-N 1 1 304.350 1.584 20 5 DDBDMO COc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157630926 354226007 /nfs/dbraw/zinc/22/60/07/354226007.db2.gz HFBKPJABSVGMIS-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157630926 354226010 /nfs/dbraw/zinc/22/60/10/354226010.db2.gz HFBKPJABSVGMIS-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO CN(C(=O)C[N@H+](C)C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305215191 354469406 /nfs/dbraw/zinc/46/94/06/354469406.db2.gz ICMHYNKYIMXXEQ-CQSZACIVSA-N 1 1 307.350 1.260 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000305215191 354469408 /nfs/dbraw/zinc/46/94/08/354469408.db2.gz ICMHYNKYIMXXEQ-CQSZACIVSA-N 1 1 307.350 1.260 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]2N1 ZINC000320069209 354524933 /nfs/dbraw/zinc/52/49/33/354524933.db2.gz KAMSHELKFOBSKW-SMDDNHRTSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]2N1 ZINC000320069209 354524935 /nfs/dbraw/zinc/52/49/35/354524935.db2.gz KAMSHELKFOBSKW-SMDDNHRTSA-N 1 1 307.325 1.834 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000346292085 283058408 /nfs/dbraw/zinc/05/84/08/283058408.db2.gz AZGNKBRZTKIUHA-INIZCTEOSA-N 1 1 321.352 1.831 20 5 DDBDMO NC(=O)C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000588976803 354954104 /nfs/dbraw/zinc/95/41/04/354954104.db2.gz YUAOPLBYHXYMFR-SECBINFHSA-N 1 1 303.322 1.168 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000588976803 354954106 /nfs/dbraw/zinc/95/41/06/354954106.db2.gz YUAOPLBYHXYMFR-SECBINFHSA-N 1 1 303.322 1.168 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(OC)CC2)c1 ZINC000589495051 354996219 /nfs/dbraw/zinc/99/62/19/354996219.db2.gz UZHFZIINDPPVLK-UHFFFAOYSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000590044700 355043516 /nfs/dbraw/zinc/04/35/16/355043516.db2.gz MFTWICXGYRRWNP-RISCZKNCSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]21 ZINC000590776537 355176420 /nfs/dbraw/zinc/17/64/20/355176420.db2.gz VWLJFNZFBBZPIK-BMIGLBTASA-N 1 1 314.345 1.852 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cscn1 ZINC000591728800 355373290 /nfs/dbraw/zinc/37/32/90/355373290.db2.gz OCVVBKFSDFNMIC-NSHDSACASA-N 1 1 309.347 1.581 20 5 DDBDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000592777360 355686243 /nfs/dbraw/zinc/68/62/43/355686243.db2.gz LGGCEZHJEGLRML-LLVKDONJSA-N 1 1 320.353 1.318 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204727 356139022 /nfs/dbraw/zinc/13/90/22/356139022.db2.gz XSYHNFBNPQEGOI-RYUDHWBXSA-N 1 1 306.366 1.680 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594601413 356262226 /nfs/dbraw/zinc/26/22/26/356262226.db2.gz AMDPOXHAPMKTIG-QWHCGFSZSA-N 1 1 305.334 1.053 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[N@@H+](C)CCN1C ZINC000595017606 356372795 /nfs/dbraw/zinc/37/27/95/356372795.db2.gz KSTURMJKVCDXLH-JSGCOSHPSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000595017606 356372797 /nfs/dbraw/zinc/37/27/97/356372797.db2.gz KSTURMJKVCDXLH-JSGCOSHPSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000595005613 356371596 /nfs/dbraw/zinc/37/15/96/356371596.db2.gz BMXKOQXGMWFYJK-GXFFZTMASA-N 1 1 307.350 1.923 20 5 DDBDMO Cc1noc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000595370768 356468216 /nfs/dbraw/zinc/46/82/16/356468216.db2.gz JFLYPOQYSKVLTK-ZDUSSCGKSA-N 1 1 323.397 1.103 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000565224453 304055082 /nfs/dbraw/zinc/05/50/82/304055082.db2.gz JCUAANSZRLUIGI-AWEZNQCLSA-N 1 1 314.407 1.767 20 5 DDBDMO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000595515843 356528377 /nfs/dbraw/zinc/52/83/77/356528377.db2.gz CCPCEWXBICRTKN-TXEJJXNPSA-N 1 1 311.357 1.621 20 5 DDBDMO CC1(C)C[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CO1 ZINC000595524527 356532667 /nfs/dbraw/zinc/53/26/67/356532667.db2.gz WTMGUVQNOSQXRR-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000595936097 356711986 /nfs/dbraw/zinc/71/19/86/356711986.db2.gz MYZHFGPXUUJNDV-GFCCVEGCSA-N 1 1 321.381 1.478 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1=CC[N@@H+](C)CC1 ZINC000596186504 356806195 /nfs/dbraw/zinc/80/61/95/356806195.db2.gz LILQSWMSGICHFX-JTQLQIEISA-N 1 1 304.350 1.756 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](C2CC2)C1 ZINC000596255404 356834421 /nfs/dbraw/zinc/83/44/21/356834421.db2.gz OKKSUUPBOWELEO-NSHDSACASA-N 1 1 318.377 1.614 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)c2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000596214058 356817270 /nfs/dbraw/zinc/81/72/70/356817270.db2.gz BRCWQDZTYCOBQY-PHIMTYICSA-N 1 1 309.370 1.117 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)c2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000596214058 356817274 /nfs/dbraw/zinc/81/72/74/356817274.db2.gz BRCWQDZTYCOBQY-PHIMTYICSA-N 1 1 309.370 1.117 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000597853877 357358400 /nfs/dbraw/zinc/35/84/00/357358400.db2.gz CSCIVSGMVPXBNL-NSHDSACASA-N 1 1 309.370 1.028 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343407 357545625 /nfs/dbraw/zinc/54/56/25/357545625.db2.gz ULIMWFNLZVIXGB-CYBMUJFWSA-N 1 1 320.393 1.632 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000598589078 357643139 /nfs/dbraw/zinc/64/31/39/357643139.db2.gz CVUFVKBDWALIFM-NEPJUHHUSA-N 1 1 320.349 1.815 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000598648475 357668469 /nfs/dbraw/zinc/66/84/69/357668469.db2.gz RYJWXIMRZIMVHH-QWRGUYRKSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000598648475 357668474 /nfs/dbraw/zinc/66/84/74/357668474.db2.gz RYJWXIMRZIMVHH-QWRGUYRKSA-N 1 1 304.350 1.921 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647077 357669121 /nfs/dbraw/zinc/66/91/21/357669121.db2.gz BPUSHZBFEBCPKL-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647077 357669124 /nfs/dbraw/zinc/66/91/24/357669124.db2.gz BPUSHZBFEBCPKL-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO CC1(C)CC[C@@H](CO)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598650039 357670421 /nfs/dbraw/zinc/67/04/21/357670421.db2.gz XLOPKFKOYCRIBN-ZDUSSCGKSA-N 1 1 309.366 1.239 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598560484 357633005 /nfs/dbraw/zinc/63/30/05/357633005.db2.gz MVKYGGNRTHDTFD-LLVKDONJSA-N 1 1 307.354 1.170 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598560484 357633008 /nfs/dbraw/zinc/63/30/08/357633008.db2.gz MVKYGGNRTHDTFD-LLVKDONJSA-N 1 1 307.354 1.170 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598560484 357633010 /nfs/dbraw/zinc/63/30/10/357633010.db2.gz MVKYGGNRTHDTFD-LLVKDONJSA-N 1 1 307.354 1.170 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598560408 357633139 /nfs/dbraw/zinc/63/31/39/357633139.db2.gz LDDMUVIXRVISLB-LBPRGKRZSA-N 1 1 321.381 1.478 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1CO ZINC000598676816 357683052 /nfs/dbraw/zinc/68/30/52/357683052.db2.gz LMTMAKYFQWZUEG-WCQYABFASA-N 1 1 322.361 1.816 20 5 DDBDMO C[NH+]1CCN(CC2CN(c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000599105833 357817404 /nfs/dbraw/zinc/81/74/04/357817404.db2.gz HUOPFYXCOFZPGJ-UHFFFAOYSA-N 1 1 324.812 1.932 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599561705 357973511 /nfs/dbraw/zinc/97/35/11/357973511.db2.gz CEXOHBDOXKIJEC-HNNXBMFYSA-N 1 1 324.333 1.238 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624025 357996557 /nfs/dbraw/zinc/99/65/57/357996557.db2.gz JKUVLIUMPUHKNS-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624025 357996560 /nfs/dbraw/zinc/99/65/60/357996560.db2.gz JKUVLIUMPUHKNS-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000600470450 358233206 /nfs/dbraw/zinc/23/32/06/358233206.db2.gz OLHOWSIOBMQLBC-LBPRGKRZSA-N 1 1 321.381 1.558 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601974190 358761474 /nfs/dbraw/zinc/76/14/74/358761474.db2.gz QNAFAZDHSIGFFX-RWMBFGLXSA-N 1 1 319.361 1.808 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](CO)C1 ZINC000601979300 358763594 /nfs/dbraw/zinc/76/35/94/358763594.db2.gz DIPHERIWOVCYNT-JTQLQIEISA-N 1 1 317.292 1.309 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](CO)C1 ZINC000601979300 358763595 /nfs/dbraw/zinc/76/35/95/358763595.db2.gz DIPHERIWOVCYNT-JTQLQIEISA-N 1 1 317.292 1.309 20 5 DDBDMO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979305 358763790 /nfs/dbraw/zinc/76/37/90/358763790.db2.gz DMACHBCQHYGIDU-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979305 358763792 /nfs/dbraw/zinc/76/37/92/358763792.db2.gz DMACHBCQHYGIDU-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602821807 359215831 /nfs/dbraw/zinc/21/58/31/359215831.db2.gz ACWYRPRIPKJFLL-SJORKVTESA-N 1 1 322.405 1.981 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000602821806 359215906 /nfs/dbraw/zinc/21/59/06/359215906.db2.gz ACWYRPRIPKJFLL-IRXDYDNUSA-N 1 1 322.405 1.981 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000602904031 359284235 /nfs/dbraw/zinc/28/42/35/359284235.db2.gz HYNBAWGFFQFLAD-IYBDPMFKSA-N 1 1 320.393 1.992 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC000602953481 359319659 /nfs/dbraw/zinc/31/96/59/359319659.db2.gz AAARNFYUVUCFQK-GFCCVEGCSA-N 1 1 321.381 1.526 20 5 DDBDMO CN(C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602962536 359325213 /nfs/dbraw/zinc/32/52/13/359325213.db2.gz LZQQAEKRUJGXJD-HNNXBMFYSA-N 1 1 307.350 1.013 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964605 359327758 /nfs/dbraw/zinc/32/77/58/359327758.db2.gz RWDUEEYRCIIWSC-IUODEOHRSA-N 1 1 310.350 1.575 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609802291 360352534 /nfs/dbraw/zinc/35/25/34/360352534.db2.gz OOVLWEGXVVHWIF-OAHLLOKOSA-N 1 1 319.409 1.595 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000610177830 360388938 /nfs/dbraw/zinc/38/89/38/360388938.db2.gz HUXVWSPPVVOONH-DGCLKSJQSA-N 1 1 308.382 1.736 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610489119 360449638 /nfs/dbraw/zinc/44/96/38/360449638.db2.gz FBZLIWUEYBVLBV-CYBMUJFWSA-N 1 1 306.366 1.681 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611091891 360621322 /nfs/dbraw/zinc/62/13/22/360621322.db2.gz BUTZGNGYRDEOGJ-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+](CCCO)C1CC1)OCCO2 ZINC000611271591 360685234 /nfs/dbraw/zinc/68/52/34/360685234.db2.gz HAVKAHWCSWWLOU-UHFFFAOYSA-N 1 1 308.334 1.713 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCCO)C1CC1)OCCO2 ZINC000611271591 360685241 /nfs/dbraw/zinc/68/52/41/360685241.db2.gz HAVKAHWCSWWLOU-UHFFFAOYSA-N 1 1 308.334 1.713 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611704746 360799347 /nfs/dbraw/zinc/79/93/47/360799347.db2.gz DLFNOUJRQIYARG-LLVKDONJSA-N 1 1 317.349 1.671 20 5 DDBDMO CC(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000193381457 201042737 /nfs/dbraw/zinc/04/27/37/201042737.db2.gz UBVAEJYFPLNVHO-MRXNPFEDSA-N 1 1 321.425 1.861 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281543055 216373136 /nfs/dbraw/zinc/37/31/36/216373136.db2.gz BHTQKHUDNVKVGM-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000566115247 304120030 /nfs/dbraw/zinc/12/00/30/304120030.db2.gz IHSSANDHDBUBME-MCIONIFRSA-N 1 1 323.393 1.407 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275375022 212295641 /nfs/dbraw/zinc/29/56/41/212295641.db2.gz AFEDRABDQXDOSN-UHFFFAOYSA-N 1 1 306.366 1.526 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@H](C)O ZINC000266309738 205255916 /nfs/dbraw/zinc/25/59/16/205255916.db2.gz DIKFHRDHFWDIDC-STQMWFEESA-N 1 1 308.382 1.580 20 5 DDBDMO CNc1c(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000336894851 249284445 /nfs/dbraw/zinc/28/44/45/249284445.db2.gz XGJWYUBSIQUISJ-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670295 250084052 /nfs/dbraw/zinc/08/40/52/250084052.db2.gz BQPFSPNPUCROKD-NEPJUHHUSA-N 1 1 321.381 1.269 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000109621883 194277840 /nfs/dbraw/zinc/27/78/40/194277840.db2.gz KGKLFZGOYFPNKQ-NSHDSACASA-N 1 1 321.381 1.581 20 5 DDBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010987083 284874422 /nfs/dbraw/zinc/87/44/22/284874422.db2.gz SZAQAKAWNKSOER-HNNXBMFYSA-N 1 1 318.377 1.386 20 5 DDBDMO CO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836355 532954262 /nfs/dbraw/zinc/95/42/62/532954262.db2.gz BMXPNAAKLHINKJ-HZSPNIEDSA-N 1 1 324.381 1.042 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491559809 532976133 /nfs/dbraw/zinc/97/61/33/532976133.db2.gz BJYCJJTYMZGVIA-HJHHMULASA-N 1 1 319.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000298027878 285166264 /nfs/dbraw/zinc/16/62/64/285166264.db2.gz FMXRFYOFEPQVEA-CYBMUJFWSA-N 1 1 306.366 1.681 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120633266 195204507 /nfs/dbraw/zinc/20/45/07/195204507.db2.gz YJRHJSDDHGTPRD-CQSZACIVSA-N 1 1 306.366 1.531 20 5 DDBDMO C[NH+](C)Cc1cnc(CNCCn2cc([N+](=O)[O-])cn2)s1 ZINC000352756009 285278846 /nfs/dbraw/zinc/27/88/46/285278846.db2.gz AFEOUYRWZQYQCU-UHFFFAOYSA-N 1 1 310.383 1.099 20 5 DDBDMO COCCCOCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271603977 209051120 /nfs/dbraw/zinc/05/11/20/209051120.db2.gz UFINQDWZAMUVMJ-HNNXBMFYSA-N 1 1 312.366 1.613 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000352777733 285294258 /nfs/dbraw/zinc/29/42/58/285294258.db2.gz ICWNHPVHHKDMEX-CYBMUJFWSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000352777733 285294261 /nfs/dbraw/zinc/29/42/61/285294261.db2.gz ICWNHPVHHKDMEX-CYBMUJFWSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495033257 533219951 /nfs/dbraw/zinc/21/99/51/533219951.db2.gz VNTXJYXBDGUOJS-UHFFFAOYSA-N 1 1 321.333 1.678 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1[N+](=O)[O-] ZINC000424043572 533659874 /nfs/dbraw/zinc/65/98/74/533659874.db2.gz QYWCXPAUWFOBMK-CYBMUJFWSA-N 1 1 321.381 1.477 20 5 DDBDMO CC(C)NC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026259563 406903847 /nfs/dbraw/zinc/90/38/47/406903847.db2.gz LONGRPNNBAHLEU-UHFFFAOYSA-N 1 1 322.365 1.380 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078644206 407038709 /nfs/dbraw/zinc/03/87/09/407038709.db2.gz YCOCNYWGLCMUSA-AWEZNQCLSA-N 1 1 322.365 1.827 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000124708275 407367128 /nfs/dbraw/zinc/36/71/28/407367128.db2.gz IJIFRITWZGZUGH-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000124860832 407371879 /nfs/dbraw/zinc/37/18/79/407371879.db2.gz BAPWVLVMJVBGOC-HNNXBMFYSA-N 1 1 317.349 1.212 20 5 DDBDMO COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806939 407465198 /nfs/dbraw/zinc/46/51/98/407465198.db2.gz OZBGLTRGPAWGJB-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806939 407465203 /nfs/dbraw/zinc/46/52/03/407465203.db2.gz OZBGLTRGPAWGJB-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000271010975 407467053 /nfs/dbraw/zinc/46/70/53/407467053.db2.gz ZSXFOQLZQMCTIK-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725450 407488873 /nfs/dbraw/zinc/48/88/73/407488873.db2.gz QZVOVBDFJQJIKV-JQWIXIFHSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725450 407488878 /nfs/dbraw/zinc/48/88/78/407488878.db2.gz QZVOVBDFJQJIKV-JQWIXIFHSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725450 407488881 /nfs/dbraw/zinc/48/88/81/407488881.db2.gz QZVOVBDFJQJIKV-JQWIXIFHSA-N 1 1 323.397 1.683 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000178858390 407630065 /nfs/dbraw/zinc/63/00/65/407630065.db2.gz NVWYJMMKYISOBF-MRXNPFEDSA-N 1 1 305.378 1.798 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)Cc2cccnc2)c1 ZINC000178867024 407633642 /nfs/dbraw/zinc/63/36/42/407633642.db2.gz ROLYUIYRMNQTIA-MRXNPFEDSA-N 1 1 317.345 1.518 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152733530 407677671 /nfs/dbraw/zinc/67/76/71/407677671.db2.gz KBNXRZDRANGQCV-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000115716899 407701815 /nfs/dbraw/zinc/70/18/15/407701815.db2.gz ZVPFZAPJUWFYPQ-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000115716899 407701824 /nfs/dbraw/zinc/70/18/24/407701824.db2.gz ZVPFZAPJUWFYPQ-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CC(C)COC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132587877 407791400 /nfs/dbraw/zinc/79/14/00/407791400.db2.gz CVLDVYXBMWXZNX-MRXNPFEDSA-N 1 1 308.378 1.986 20 5 DDBDMO CC(C)COC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000132587877 407791405 /nfs/dbraw/zinc/79/14/05/407791405.db2.gz CVLDVYXBMWXZNX-MRXNPFEDSA-N 1 1 308.378 1.986 20 5 DDBDMO CCOC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465507 407880841 /nfs/dbraw/zinc/88/08/41/407880841.db2.gz LCMKLGYNMXOTNJ-NSHDSACASA-N 1 1 308.338 1.429 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272428630 407914674 /nfs/dbraw/zinc/91/46/74/407914674.db2.gz HJCOHNICAFFRFT-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262812751 407942416 /nfs/dbraw/zinc/94/24/16/407942416.db2.gz YLJQOWKADJRFJA-WPRPVWTQSA-N 1 1 317.342 1.010 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155626267 408190392 /nfs/dbraw/zinc/19/03/92/408190392.db2.gz GHFOWOFHYQSSDX-UHFFFAOYSA-N 1 1 319.358 1.352 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190403215 408237138 /nfs/dbraw/zinc/23/71/38/408237138.db2.gz YBIRJTVNFNXFHY-IINYFYTJSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190403215 408237147 /nfs/dbraw/zinc/23/71/47/408237147.db2.gz YBIRJTVNFNXFHY-IINYFYTJSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488375 408327034 /nfs/dbraw/zinc/32/70/34/408327034.db2.gz YCYXKXZYWNMJAA-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488375 408327042 /nfs/dbraw/zinc/32/70/42/408327042.db2.gz YCYXKXZYWNMJAA-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000269506948 408333811 /nfs/dbraw/zinc/33/38/11/408333811.db2.gz GHGOPHHIADWGQF-GFCCVEGCSA-N 1 1 323.397 1.724 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182441 408344627 /nfs/dbraw/zinc/34/46/27/408344627.db2.gz UVZJBTZZAIWLEJ-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO CNC(=O)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000269533552 408345189 /nfs/dbraw/zinc/34/51/89/408345189.db2.gz SRICZPYSKKJZEO-UHFFFAOYSA-N 1 1 318.333 1.470 20 5 DDBDMO CNC(=O)C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000269533552 408345194 /nfs/dbraw/zinc/34/51/94/408345194.db2.gz SRICZPYSKKJZEO-UHFFFAOYSA-N 1 1 318.333 1.470 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662238 408383264 /nfs/dbraw/zinc/38/32/64/408383264.db2.gz QVMSHLBTGJHWHW-CABCVRRESA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662238 408383268 /nfs/dbraw/zinc/38/32/68/408383268.db2.gz QVMSHLBTGJHWHW-CABCVRRESA-N 1 1 319.361 1.371 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269860233 408451165 /nfs/dbraw/zinc/45/11/65/408451165.db2.gz VICLGJHOXCOMQE-UHFFFAOYSA-N 1 1 324.381 1.353 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183560057 408440577 /nfs/dbraw/zinc/44/05/77/408440577.db2.gz ZSKUBMASTYDLDP-ZDUSSCGKSA-N 1 1 307.354 1.794 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177121092 408525755 /nfs/dbraw/zinc/52/57/55/408525755.db2.gz UMKKDXRQWQXLLT-UWVGGRQHSA-N 1 1 304.350 1.532 20 5 DDBDMO Cc1ccnc(NC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000265238529 408588281 /nfs/dbraw/zinc/58/82/81/408588281.db2.gz OIFVPBYERNFEGU-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000193278555 408709549 /nfs/dbraw/zinc/70/95/49/408709549.db2.gz JTAWLNKVDRGRQN-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249492438 408731648 /nfs/dbraw/zinc/73/16/48/408731648.db2.gz FNXHOTOTDUYEIS-OLZOCXBDSA-N 1 1 307.394 1.790 20 5 DDBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+](CCO)CCO ZINC000162448830 408701644 /nfs/dbraw/zinc/70/16/44/408701644.db2.gz ZJNHGMJUKBUPRW-UHFFFAOYSA-N 1 1 319.155 1.144 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249582260 408745448 /nfs/dbraw/zinc/74/54/48/408745448.db2.gz ROXWVCJZHQSACB-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290840041 408842848 /nfs/dbraw/zinc/84/28/48/408842848.db2.gz VQPLXSDNOHAHHA-MWLCHTKSSA-N 1 1 304.350 1.731 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276460232 408862790 /nfs/dbraw/zinc/86/27/90/408862790.db2.gz XINHBMSGMLQHOB-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO C[N@H+](CCCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000276459964 408862856 /nfs/dbraw/zinc/86/28/56/408862856.db2.gz XGNRWEQBGBWITA-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[N@@H+](CCCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000276459964 408862858 /nfs/dbraw/zinc/86/28/58/408862858.db2.gz XGNRWEQBGBWITA-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501247 408872260 /nfs/dbraw/zinc/87/22/60/408872260.db2.gz JMWODCZBGYTLRB-LKFCYVNXSA-N 1 1 304.350 1.390 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183648242 306712022 /nfs/dbraw/zinc/71/20/22/306712022.db2.gz JAVQGONZEAAQDX-VIFPVBQESA-N 1 1 318.337 1.143 20 5 DDBDMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000189881910 163123553 /nfs/dbraw/zinc/12/35/53/163123553.db2.gz LYTPFWYFHASZGP-ZDUSSCGKSA-N 1 1 307.394 1.872 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000277609201 408976579 /nfs/dbraw/zinc/97/65/79/408976579.db2.gz PNOPMVSYYFROCT-KGLIPLIRSA-N 1 1 319.361 1.960 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279217626 409171594 /nfs/dbraw/zinc/17/15/94/409171594.db2.gz NDLFDFXNAKZEJM-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289044596 409211449 /nfs/dbraw/zinc/21/14/49/409211449.db2.gz PVXWHSINWAOKJG-MELADBBJSA-N 1 1 324.377 1.427 20 5 DDBDMO O=c1nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289167306 409227404 /nfs/dbraw/zinc/22/74/04/409227404.db2.gz FAWVWDBCVHEWGH-LLVKDONJSA-N 1 1 303.322 1.386 20 5 DDBDMO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000294184066 409256668 /nfs/dbraw/zinc/25/66/68/409256668.db2.gz PEORJGFOQZZQMN-MRXNPFEDSA-N 1 1 319.361 1.858 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000294184066 409256670 /nfs/dbraw/zinc/25/66/70/409256670.db2.gz PEORJGFOQZZQMN-MRXNPFEDSA-N 1 1 319.361 1.858 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295655214 409360672 /nfs/dbraw/zinc/36/06/72/409360672.db2.gz HSIXEHQZKNFOME-GFCCVEGCSA-N 1 1 307.350 1.187 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000280628377 409385765 /nfs/dbraw/zinc/38/57/65/409385765.db2.gz UINXVKUASPUTQO-GFCCVEGCSA-N 1 1 321.377 1.881 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)CO ZINC000295362284 409450569 /nfs/dbraw/zinc/45/05/69/409450569.db2.gz ZGJZPXIDPGWCJG-NSHDSACASA-N 1 1 309.366 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)CO ZINC000295362284 409450574 /nfs/dbraw/zinc/45/05/74/409450574.db2.gz ZGJZPXIDPGWCJG-NSHDSACASA-N 1 1 309.366 1.872 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000295454280 409491372 /nfs/dbraw/zinc/49/13/72/409491372.db2.gz WULLYATUGVUAMH-LLVKDONJSA-N 1 1 321.381 1.042 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285594551 409502353 /nfs/dbraw/zinc/50/23/53/409502353.db2.gz IYMDKKJQFARKAA-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285594551 409502360 /nfs/dbraw/zinc/50/23/60/409502360.db2.gz IYMDKKJQFARKAA-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CO)o2)cc1 ZINC000303049556 409530778 /nfs/dbraw/zinc/53/07/78/409530778.db2.gz ZMJDAUYJFGGLSF-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CO)o2)cc1 ZINC000303049556 409530782 /nfs/dbraw/zinc/53/07/82/409530782.db2.gz ZMJDAUYJFGGLSF-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303979082 409553643 /nfs/dbraw/zinc/55/36/43/409553643.db2.gz DMYDJBKDOQKKMM-KGLIPLIRSA-N 1 1 305.334 1.157 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303979082 409553652 /nfs/dbraw/zinc/55/36/52/409553652.db2.gz DMYDJBKDOQKKMM-KGLIPLIRSA-N 1 1 305.334 1.157 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000356834991 409646926 /nfs/dbraw/zinc/64/69/26/409646926.db2.gz BYWYKLKPYZOIHW-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000356834991 409646933 /nfs/dbraw/zinc/64/69/33/409646933.db2.gz BYWYKLKPYZOIHW-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)NC2C[NH+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000297189408 409844866 /nfs/dbraw/zinc/84/48/66/409844866.db2.gz VELCIPYXSUMDPM-UHFFFAOYSA-N 1 1 307.350 1.734 20 5 DDBDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000354367298 409801706 /nfs/dbraw/zinc/80/17/06/409801706.db2.gz JSASUAXXZZLBSD-NSHDSACASA-N 1 1 309.366 1.939 20 5 DDBDMO COc1c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000346316721 409911596 /nfs/dbraw/zinc/91/15/96/409911596.db2.gz IAPXYKOSDCXJHG-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224443 409861464 /nfs/dbraw/zinc/86/14/64/409861464.db2.gz NUHFUYOGNIDLPV-GVXVVHGQSA-N 1 1 306.366 1.725 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000342857474 409952641 /nfs/dbraw/zinc/95/26/41/409952641.db2.gz MFSPIUBWGDDFOX-UWERJEOXSA-N 1 1 319.405 1.995 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342835807 409938941 /nfs/dbraw/zinc/93/89/41/409938941.db2.gz QOPXAQBAOVVKHY-CMPLNLGQSA-N 1 1 322.365 1.979 20 5 DDBDMO CCS(=O)(=O)NCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338359851 409940341 /nfs/dbraw/zinc/94/03/41/409940341.db2.gz ZXHMZNULYQOMEG-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO CCS(=O)(=O)NCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338359851 409940346 /nfs/dbraw/zinc/94/03/46/409940346.db2.gz ZXHMZNULYQOMEG-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000339133973 410062189 /nfs/dbraw/zinc/06/21/89/410062189.db2.gz BNBSKHRHMQIHPM-TZMCWYRMSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000339133973 410062194 /nfs/dbraw/zinc/06/21/94/410062194.db2.gz BNBSKHRHMQIHPM-TZMCWYRMSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357534203 410087683 /nfs/dbraw/zinc/08/76/83/410087683.db2.gz QSAFVXGTPYHUAP-NXEZZACHSA-N 1 1 304.350 1.731 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCCC[C@@H]1C ZINC000343076664 410125467 /nfs/dbraw/zinc/12/54/67/410125467.db2.gz NHECTAVUUKKFOV-NWDGAFQWSA-N 1 1 308.382 1.926 20 5 DDBDMO Cc1cnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000332456926 410173014 /nfs/dbraw/zinc/17/30/14/410173014.db2.gz OQZGHBVZXHWALZ-UHFFFAOYSA-N 1 1 302.338 1.727 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351827958 410271399 /nfs/dbraw/zinc/27/13/99/410271399.db2.gz MSUSNIUMXFCBPM-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO COc1ccc(OCCN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847588 410286059 /nfs/dbraw/zinc/28/60/59/410286059.db2.gz AQPRIDCYSKHMQV-NWDGAFQWSA-N 1 1 309.366 1.651 20 5 DDBDMO CCOc1ccc([C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251981 410420264 /nfs/dbraw/zinc/42/02/64/410420264.db2.gz NDFMMNRJFANMOT-BLLLJJGKSA-N 1 1 323.393 1.711 20 5 DDBDMO CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251981 410420269 /nfs/dbraw/zinc/42/02/69/410420269.db2.gz NDFMMNRJFANMOT-BLLLJJGKSA-N 1 1 323.393 1.711 20 5 DDBDMO COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000351971170 410382903 /nfs/dbraw/zinc/38/29/03/410382903.db2.gz QDQUZIXCZDQISJ-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000351971170 410382909 /nfs/dbraw/zinc/38/29/09/410382909.db2.gz QDQUZIXCZDQISJ-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000347361671 410496398 /nfs/dbraw/zinc/49/63/98/410496398.db2.gz PWMBVKBYKCWAIX-HJTPGIPUSA-N 1 1 304.350 1.741 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339953023 410572018 /nfs/dbraw/zinc/57/20/18/410572018.db2.gz MQVOTKDXQMPIBH-VXGBXAGGSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000355594269 410599503 /nfs/dbraw/zinc/59/95/03/410599503.db2.gz DNFXYLCOYXZVAL-OAHLLOKOSA-N 1 1 322.365 1.400 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000301443393 410719866 /nfs/dbraw/zinc/71/98/66/410719866.db2.gz WTDUMZLDELTZEO-YPMHNXCESA-N 1 1 318.377 1.627 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000330575467 410789742 /nfs/dbraw/zinc/78/97/42/410789742.db2.gz OGHXAYDOJRRBKF-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000330575467 410789744 /nfs/dbraw/zinc/78/97/44/410789744.db2.gz OGHXAYDOJRRBKF-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330678258 410872583 /nfs/dbraw/zinc/87/25/83/410872583.db2.gz WLJHKOFSPGOMIQ-GFCCVEGCSA-N 1 1 306.366 1.194 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135541348 196484780 /nfs/dbraw/zinc/48/47/80/196484780.db2.gz XZWAFRJLCNNKKW-AAEUAGOBSA-N 1 1 319.365 1.097 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000613049714 416674085 /nfs/dbraw/zinc/67/40/85/416674085.db2.gz ORKFNVVUYQPFPU-CQSZACIVSA-N 1 1 303.322 1.017 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296567254 226000922 /nfs/dbraw/zinc/00/09/22/226000922.db2.gz CWPZAVHOMGTINQ-GFCCVEGCSA-N 1 1 323.349 1.746 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296567254 226000926 /nfs/dbraw/zinc/00/09/26/226000926.db2.gz CWPZAVHOMGTINQ-GFCCVEGCSA-N 1 1 323.349 1.746 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374025704 418485530 /nfs/dbraw/zinc/48/55/30/418485530.db2.gz YMOXRNOFXYZTSN-NILFDRSVSA-N 1 1 319.361 1.554 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374025704 418485532 /nfs/dbraw/zinc/48/55/32/418485532.db2.gz YMOXRNOFXYZTSN-NILFDRSVSA-N 1 1 319.361 1.554 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366810978 418520742 /nfs/dbraw/zinc/52/07/42/418520742.db2.gz QQKQLROFQGJROF-DDTOSNHZSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366810978 418520743 /nfs/dbraw/zinc/52/07/43/418520743.db2.gz QQKQLROFQGJROF-DDTOSNHZSA-N 1 1 305.334 1.245 20 5 DDBDMO Cc1c([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000360848405 418533783 /nfs/dbraw/zinc/53/37/83/418533783.db2.gz KJNFMOQACJLTCD-CYBMUJFWSA-N 1 1 304.354 1.670 20 5 DDBDMO CN(C)CC[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367165665 418567148 /nfs/dbraw/zinc/56/71/48/418567148.db2.gz OTQMFUGVTNLRTH-UHFFFAOYSA-N 1 1 307.398 1.251 20 5 DDBDMO CN(C)CC[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367165665 418567151 /nfs/dbraw/zinc/56/71/51/418567151.db2.gz OTQMFUGVTNLRTH-UHFFFAOYSA-N 1 1 307.398 1.251 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000191772459 222108152 /nfs/dbraw/zinc/10/81/52/222108152.db2.gz QSCYALNLGWISIQ-NWDGAFQWSA-N 1 1 323.397 1.661 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000294231584 418583067 /nfs/dbraw/zinc/58/30/67/418583067.db2.gz RNIGAPARVNNCMZ-HNNXBMFYSA-N 1 1 321.381 1.044 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000361363660 418635791 /nfs/dbraw/zinc/63/57/91/418635791.db2.gz ZFLIWQIZMPODAU-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)s1 ZINC000375592097 418659830 /nfs/dbraw/zinc/65/98/30/418659830.db2.gz QOOKXMYQNBRCHT-WDEREUQCSA-N 1 1 312.395 1.964 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000368064695 418683596 /nfs/dbraw/zinc/68/35/96/418683596.db2.gz QNHFRCFPTHJPCW-FZMZJTMJSA-N 1 1 305.334 1.042 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587117 418688088 /nfs/dbraw/zinc/68/80/88/418688088.db2.gz UWNFTDBMEYHTSN-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411292469 418889275 /nfs/dbraw/zinc/88/92/75/418889275.db2.gz MRLRRCDBKMBNRK-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411292469 418889276 /nfs/dbraw/zinc/88/92/76/418889276.db2.gz MRLRRCDBKMBNRK-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000372125449 418838732 /nfs/dbraw/zinc/83/87/32/418838732.db2.gz KBCVMYVNGCFKNW-UGFHNGPFSA-N 1 1 318.377 1.388 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365840938 418915417 /nfs/dbraw/zinc/91/54/17/418915417.db2.gz XBJOLLCGFALCMQ-ZBEGNZNMSA-N 1 1 319.361 1.769 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000411754676 419399806 /nfs/dbraw/zinc/39/98/06/419399806.db2.gz FKQCOPQRBGMBJK-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000411765812 419404272 /nfs/dbraw/zinc/40/42/72/419404272.db2.gz AHUKHWYMBGONAN-UHFFFAOYSA-N 1 1 308.338 1.119 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426241815 419418044 /nfs/dbraw/zinc/41/80/44/419418044.db2.gz XEKWEDDOLCNWAV-CYBMUJFWSA-N 1 1 319.361 1.331 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420940663 419368673 /nfs/dbraw/zinc/36/86/73/419368673.db2.gz NAVSSGOONGCSGG-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420940663 419368683 /nfs/dbraw/zinc/36/86/83/419368683.db2.gz NAVSSGOONGCSGG-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943352 419373091 /nfs/dbraw/zinc/37/30/91/419373091.db2.gz PSSHVQSGBFTFFP-STQMWFEESA-N 1 1 321.377 1.874 20 5 DDBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000299399637 229097924 /nfs/dbraw/zinc/09/79/24/229097924.db2.gz KEORYNAYEXGBGY-LBPRGKRZSA-N 1 1 314.345 1.996 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000430231956 420091804 /nfs/dbraw/zinc/09/18/04/420091804.db2.gz DNRHJSRXBUYVDY-GXFFZTMASA-N 1 1 308.334 1.987 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CN)C1CC1 ZINC000420309766 420199509 /nfs/dbraw/zinc/19/95/09/420199509.db2.gz FMYMJTMHFMNPHN-AWEZNQCLSA-N 1 1 306.366 1.593 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CN)C1CC1 ZINC000420309766 420199514 /nfs/dbraw/zinc/19/95/14/420199514.db2.gz FMYMJTMHFMNPHN-AWEZNQCLSA-N 1 1 306.366 1.593 20 5 DDBDMO CC(C)(C)[C@H](C[NH3+])NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373418 420246842 /nfs/dbraw/zinc/24/68/42/420246842.db2.gz ZDTWQWJJFDYXQR-ZDUSSCGKSA-N 1 1 308.382 1.886 20 5 DDBDMO CN(C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124556 420247761 /nfs/dbraw/zinc/24/77/61/420247761.db2.gz DFUFHWRUKBKWQV-IUODEOHRSA-N 1 1 307.394 1.829 20 5 DDBDMO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381743 420250415 /nfs/dbraw/zinc/25/04/15/420250415.db2.gz ZJHWHSGTCDHDCS-BFQNTYOBSA-N 1 1 320.393 1.900 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3COCCO3)CC2)c1 ZINC000354633009 306781108 /nfs/dbraw/zinc/78/11/08/306781108.db2.gz OOJDQAGNJGFVKJ-HNNXBMFYSA-N 1 1 307.350 1.132 20 5 DDBDMO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317127 420448816 /nfs/dbraw/zinc/44/88/16/420448816.db2.gz VRMGPQYHQCLVCJ-GOEBONIOSA-N 1 1 307.394 1.874 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457080290 420604155 /nfs/dbraw/zinc/60/41/55/420604155.db2.gz UIQIDNDZWYKQSR-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO COc1ccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449534831 421023755 /nfs/dbraw/zinc/02/37/55/421023755.db2.gz NDDCLDSGXBVXDQ-BETUJISGSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449787388 421084815 /nfs/dbraw/zinc/08/48/15/421084815.db2.gz VEEJEDSCXCOQMY-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO COc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000456335532 421143885 /nfs/dbraw/zinc/14/38/85/421143885.db2.gz XHSNNURXUAQKOM-YOGCLGLASA-N 1 1 319.361 1.958 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516853152 421570220 /nfs/dbraw/zinc/57/02/20/421570220.db2.gz BFLVUUHPTDZSST-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516853152 421570223 /nfs/dbraw/zinc/57/02/23/421570223.db2.gz BFLVUUHPTDZSST-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785428 421625546 /nfs/dbraw/zinc/62/55/46/421625546.db2.gz ZEFLTRVISQPIRV-ZOWXZIJZSA-N 1 1 318.377 1.792 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521672131 421796571 /nfs/dbraw/zinc/79/65/71/421796571.db2.gz OPMSHGIVHKSCGB-TXEJJXNPSA-N 1 1 308.382 1.926 20 5 DDBDMO Nc1nccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000594345123 422346308 /nfs/dbraw/zinc/34/63/08/422346308.db2.gz UEENKVZFCYAHFT-LLVKDONJSA-N 1 1 319.365 1.319 20 5 DDBDMO CCC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578309592 422542080 /nfs/dbraw/zinc/54/20/80/422542080.db2.gz SYNSRGRLNSYETR-UHFFFAOYSA-N 1 1 306.366 1.871 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589558 422600097 /nfs/dbraw/zinc/60/00/97/422600097.db2.gz ZVUCRLSZDBDBCQ-DZGCQCFKSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589558 422600104 /nfs/dbraw/zinc/60/01/04/422600104.db2.gz ZVUCRLSZDBDBCQ-DZGCQCFKSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589558 422600108 /nfs/dbraw/zinc/60/01/08/422600108.db2.gz ZVUCRLSZDBDBCQ-DZGCQCFKSA-N 1 1 323.393 1.361 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000344869429 272132732 /nfs/dbraw/zinc/13/27/32/272132732.db2.gz RSIKXSZJQXYRFY-RQPMMQJISA-N 1 1 305.378 1.654 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000344869429 272132735 /nfs/dbraw/zinc/13/27/35/272132735.db2.gz RSIKXSZJQXYRFY-RQPMMQJISA-N 1 1 305.378 1.654 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000102183692 276131678 /nfs/dbraw/zinc/13/16/78/276131678.db2.gz NNBCVKCICVDEPS-UHFFFAOYSA-N 1 1 313.379 1.357 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(C3CC3)CC2)c1 ZINC000125909103 281220173 /nfs/dbraw/zinc/22/01/73/281220173.db2.gz TZTXPNJNHDTIHG-HNNXBMFYSA-N 1 1 321.377 1.115 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246630567 282003059 /nfs/dbraw/zinc/00/30/59/282003059.db2.gz AWSBLIBGLYVMAC-SWLSCSKDSA-N 1 1 304.350 1.845 20 5 DDBDMO O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295552 300246570 /nfs/dbraw/zinc/24/65/70/300246570.db2.gz HVUGFFZWCLUJPT-LSDHHAIUSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295552 300246572 /nfs/dbraw/zinc/24/65/72/300246572.db2.gz HVUGFFZWCLUJPT-LSDHHAIUSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295552 300246573 /nfs/dbraw/zinc/24/65/73/300246573.db2.gz HVUGFFZWCLUJPT-LSDHHAIUSA-N 1 1 309.410 1.766 20 5 DDBDMO Cn1cc(C[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000363352639 300255708 /nfs/dbraw/zinc/25/57/08/300255708.db2.gz NHXLFWGFSAYPRF-GFCCVEGCSA-N 1 1 304.354 1.089 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350385 300382014 /nfs/dbraw/zinc/38/20/14/300382014.db2.gz XTEZEFSDJIXDSR-LSDHHAIUSA-N 1 1 321.381 1.267 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364395948 300389498 /nfs/dbraw/zinc/38/94/98/300389498.db2.gz CEVOVUOLUANJJF-UBHSHLNASA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000364395948 300389502 /nfs/dbraw/zinc/38/95/02/300389502.db2.gz CEVOVUOLUANJJF-UBHSHLNASA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000364395948 300389504 /nfs/dbraw/zinc/38/95/04/300389504.db2.gz CEVOVUOLUANJJF-UBHSHLNASA-N 1 1 323.418 1.742 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957644 301109845 /nfs/dbraw/zinc/10/98/45/301109845.db2.gz FAFWREAWUAHILJ-CQDKDKBSSA-N 1 1 319.361 1.559 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c(=O)[nH]1 ZINC000370263412 301304848 /nfs/dbraw/zinc/30/48/48/301304848.db2.gz XOXPIIFZKQIUQI-JQWIXIFHSA-N 1 1 320.349 1.170 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465581 301344468 /nfs/dbraw/zinc/34/44/68/301344468.db2.gz TWVADDFRNRVSHC-RYUDHWBXSA-N 1 1 323.324 1.327 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376034707 302028368 /nfs/dbraw/zinc/02/83/68/302028368.db2.gz MDQJISUIVLKWBF-JGGQBBKZSA-N 1 1 322.361 1.445 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000534306279 303330730 /nfs/dbraw/zinc/33/07/30/303330730.db2.gz OPSYFQWFXULEBQ-UHFFFAOYSA-N 1 1 323.397 1.521 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000538714001 303390043 /nfs/dbraw/zinc/39/00/43/303390043.db2.gz GFVUDZNREXXXAJ-ABAIWWIYSA-N 1 1 318.377 1.803 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366442182 307073876 /nfs/dbraw/zinc/07/38/76/307073876.db2.gz QDSSICFBGNWCHN-GDNZZTSVSA-N 1 1 305.334 1.094 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367068667 307084625 /nfs/dbraw/zinc/08/46/25/307084625.db2.gz RLGPDCAHKUQUHC-UHFFFAOYSA-N 1 1 315.333 1.761 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369543747 307123218 /nfs/dbraw/zinc/12/32/18/307123218.db2.gz LRRFUBONVLOHRS-UHFFFAOYSA-N 1 1 323.349 1.515 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000370864270 307138648 /nfs/dbraw/zinc/13/86/48/307138648.db2.gz YUCZNQZSSDSKOF-JTQLQIEISA-N 1 1 315.333 1.647 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000370864270 307138649 /nfs/dbraw/zinc/13/86/49/307138649.db2.gz YUCZNQZSSDSKOF-JTQLQIEISA-N 1 1 315.333 1.647 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H](O)C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000372297519 307167968 /nfs/dbraw/zinc/16/79/68/307167968.db2.gz VKEVZPPGVCPWTH-ZDUSSCGKSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372739191 307174196 /nfs/dbraw/zinc/17/41/96/307174196.db2.gz KJBVTKPPWHQFGE-CYBMUJFWSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372739191 307174197 /nfs/dbraw/zinc/17/41/97/307174197.db2.gz KJBVTKPPWHQFGE-CYBMUJFWSA-N 1 1 313.379 1.156 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000374050596 307200963 /nfs/dbraw/zinc/20/09/63/307200963.db2.gz LAKQLEVAURMBGN-HNNXBMFYSA-N 1 1 319.361 1.593 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000374050596 307200964 /nfs/dbraw/zinc/20/09/64/307200964.db2.gz LAKQLEVAURMBGN-HNNXBMFYSA-N 1 1 319.361 1.593 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000375431862 307226208 /nfs/dbraw/zinc/22/62/08/307226208.db2.gz TVWRURBDUHWQLQ-LLVKDONJSA-N 1 1 318.337 1.541 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021461 307300702 /nfs/dbraw/zinc/30/07/02/307300702.db2.gz OBYSYWSVYKWLTO-UPJWGTAASA-N 1 1 310.350 1.180 20 5 DDBDMO CC1(C)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000434696155 307304556 /nfs/dbraw/zinc/30/45/56/307304556.db2.gz XBGHLPRKAPFRHF-GFCCVEGCSA-N 1 1 314.411 1.370 20 5 DDBDMO COC(=O)Cc1ccc(NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000294846192 533762475 /nfs/dbraw/zinc/76/24/75/533762475.db2.gz BVEDTASELDSGTQ-UHFFFAOYSA-N 1 1 319.361 1.984 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000305759648 534025270 /nfs/dbraw/zinc/02/52/70/534025270.db2.gz ILPWCNORGBGEOA-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000305759648 534025277 /nfs/dbraw/zinc/02/52/77/534025277.db2.gz ILPWCNORGBGEOA-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338430 534461525 /nfs/dbraw/zinc/46/15/25/534461525.db2.gz JMEIXTJWSHQKBG-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000331338430 534461529 /nfs/dbraw/zinc/46/15/29/534461529.db2.gz JMEIXTJWSHQKBG-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000331338430 534461532 /nfs/dbraw/zinc/46/15/32/534461532.db2.gz JMEIXTJWSHQKBG-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154398483 527312991 /nfs/dbraw/zinc/31/29/91/527312991.db2.gz DWVCBCMWPDXPEA-WFASDCNBSA-N 1 1 318.377 1.855 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000433266842 528024588 /nfs/dbraw/zinc/02/45/88/528024588.db2.gz BRZGMOQSBOHKKF-ZDUSSCGKSA-N 1 1 312.366 1.691 20 5 DDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557082 528094250 /nfs/dbraw/zinc/09/42/50/528094250.db2.gz KZOZTBGXWAXMJB-CJNGLKHVSA-N 1 1 308.378 1.893 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557082 528094252 /nfs/dbraw/zinc/09/42/52/528094252.db2.gz KZOZTBGXWAXMJB-CJNGLKHVSA-N 1 1 308.378 1.893 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328956 598420867 /nfs/dbraw/zinc/42/08/67/598420867.db2.gz ZMTWTQCFYGRWRP-JTQLQIEISA-N 1 1 319.369 1.917 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122066772 696718554 /nfs/dbraw/zinc/71/85/54/696718554.db2.gz IZNQUHMVMSVBDI-BETUJISGSA-N 1 1 321.377 1.776 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122066772 696718556 /nfs/dbraw/zinc/71/85/56/696718556.db2.gz IZNQUHMVMSVBDI-BETUJISGSA-N 1 1 321.377 1.776 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC000981764129 696907217 /nfs/dbraw/zinc/90/72/17/696907217.db2.gz NNMVCUKBWWYBLT-VNPHXJNISA-N 1 1 313.785 1.329 20 5 DDBDMO CON(C)C(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000799127760 700120854 /nfs/dbraw/zinc/12/08/54/700120854.db2.gz XOAQNYNWGDHGCJ-UHFFFAOYSA-N 1 1 307.350 1.969 20 5 DDBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000981137609 697015468 /nfs/dbraw/zinc/01/54/68/697015468.db2.gz ZQNKAVJZOZFRME-HZPDHXFCSA-N 1 1 317.389 1.695 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000981137609 697015471 /nfs/dbraw/zinc/01/54/71/697015471.db2.gz ZQNKAVJZOZFRME-HZPDHXFCSA-N 1 1 317.389 1.695 20 5 DDBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000981137609 697015473 /nfs/dbraw/zinc/01/54/73/697015473.db2.gz ZQNKAVJZOZFRME-HZPDHXFCSA-N 1 1 317.389 1.695 20 5 DDBDMO C[N@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799365202 700138752 /nfs/dbraw/zinc/13/87/52/700138752.db2.gz UTYSJPDALWQTJG-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO C[N@@H+](CCCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000799365202 700138755 /nfs/dbraw/zinc/13/87/55/700138755.db2.gz UTYSJPDALWQTJG-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000775775774 698031190 /nfs/dbraw/zinc/03/11/90/698031190.db2.gz BDQWSCRYANIKJU-AWEZNQCLSA-N 1 1 316.317 1.182 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000776593887 698124362 /nfs/dbraw/zinc/12/43/62/698124362.db2.gz PCJQCKGWYJGRCC-ZDUSSCGKSA-N 1 1 307.350 1.358 20 5 DDBDMO Cc1cc(C(=O)OCCC[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000750886603 700254213 /nfs/dbraw/zinc/25/42/13/700254213.db2.gz VRLYLWBTQRDVMM-UHFFFAOYSA-N 1 1 323.349 1.365 20 5 DDBDMO COc1ccc2c(c1)CC[N@@H+](Cn1nccc1[N+](=O)[O-])CC2 ZINC000783979856 698897904 /nfs/dbraw/zinc/89/79/04/698897904.db2.gz GGBYORJWYNJUHS-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](Cn1nccc1[N+](=O)[O-])CC2 ZINC000783979856 698897907 /nfs/dbraw/zinc/89/79/07/698897907.db2.gz GGBYORJWYNJUHS-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000718986440 699296430 /nfs/dbraw/zinc/29/64/30/699296430.db2.gz DPZVHBFHZLAXJP-NSHDSACASA-N 1 1 308.334 1.798 20 5 DDBDMO Cc1c(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000790453191 699461468 /nfs/dbraw/zinc/46/14/68/699461468.db2.gz QBNQBNQYZDONHU-HNNXBMFYSA-N 1 1 304.350 1.802 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1C ZINC000733969987 699629615 /nfs/dbraw/zinc/62/96/15/699629615.db2.gz FBMLVUNZHSGHSI-UHFFFAOYSA-N 1 1 321.312 1.463 20 5 DDBDMO CC[N@H+](C[C@@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794632457 699820108 /nfs/dbraw/zinc/82/01/08/699820108.db2.gz PJIBAODOCUFDTM-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794632457 699820111 /nfs/dbraw/zinc/82/01/11/699820111.db2.gz PJIBAODOCUFDTM-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000741721813 699848996 /nfs/dbraw/zinc/84/89/96/699848996.db2.gz CQUXNWNRGOJRKG-VXGBXAGGSA-N 1 1 320.393 1.873 20 5 DDBDMO COc1c(C(=O)NCC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000795271000 699855022 /nfs/dbraw/zinc/85/50/22/699855022.db2.gz PNFDDHCXADJCES-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CNC(=O)c1ccc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742426786 699878454 /nfs/dbraw/zinc/87/84/54/699878454.db2.gz BTQHBMNPBDZRIT-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO CO[C@H](C)C[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000795754074 699889804 /nfs/dbraw/zinc/88/98/04/699889804.db2.gz YLVAMFAPWSIATR-GFCCVEGCSA-N 1 1 322.365 1.761 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000795754074 699889807 /nfs/dbraw/zinc/88/98/07/699889807.db2.gz YLVAMFAPWSIATR-GFCCVEGCSA-N 1 1 322.365 1.761 20 5 DDBDMO CC[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000753851634 700462077 /nfs/dbraw/zinc/46/20/77/700462077.db2.gz XQTQOKHXRQVQQN-UHFFFAOYSA-N 1 1 317.349 1.782 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000757035754 700653242 /nfs/dbraw/zinc/65/32/42/700653242.db2.gz UWIAGKVHZKLKTI-CYBMUJFWSA-N 1 1 318.377 1.757 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000879145357 706598742 /nfs/dbraw/zinc/59/87/42/706598742.db2.gz TXQNPXWWKXTHHE-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO C[NH+](C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839762522 701814692 /nfs/dbraw/zinc/81/46/92/701814692.db2.gz YLIRMBPOHCKXKX-FRRDWIJNSA-N 1 1 311.769 1.724 20 5 DDBDMO CN(C[C@@H]1CCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945229 701846805 /nfs/dbraw/zinc/84/68/05/701846805.db2.gz BANUTZZDIYCQNI-NHYWBVRUSA-N 1 1 307.350 1.264 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)CC[C@@H]21 ZINC000866207007 706648406 /nfs/dbraw/zinc/64/84/06/706648406.db2.gz NUVVZLLYSJTWOX-ZJUUUORDSA-N 1 1 303.322 1.661 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866210125 706649570 /nfs/dbraw/zinc/64/95/70/706649570.db2.gz YFGYRTVUFHDXIL-CHWSQXEVSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccc(Cc2noc(C[NH2+]C[C@H]3CCCO3)n2)nc1 ZINC000843192702 702838238 /nfs/dbraw/zinc/83/82/38/702838238.db2.gz XHOQPPBCYKAWFJ-GFCCVEGCSA-N 1 1 319.321 1.232 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000843868965 702935870 /nfs/dbraw/zinc/93/58/70/702935870.db2.gz PKSAARVGEWIBPL-PHIMTYICSA-N 1 1 307.325 1.676 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccnc(F)c3)CC2)c1 ZINC000831454227 706710117 /nfs/dbraw/zinc/71/01/17/706710117.db2.gz HBLQZJRCDUNTTC-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO O=C1O[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000844312611 703011090 /nfs/dbraw/zinc/01/10/90/703011090.db2.gz DFRKDIJOEXUAFU-CYBMUJFWSA-N 1 1 318.333 1.331 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CN1C1CC1 ZINC000844312611 703011093 /nfs/dbraw/zinc/01/10/93/703011093.db2.gz DFRKDIJOEXUAFU-CYBMUJFWSA-N 1 1 318.333 1.331 20 5 DDBDMO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709023 703322236 /nfs/dbraw/zinc/32/22/36/703322236.db2.gz XWOTVLNTZIQZBE-GHMZBOCLSA-N 1 1 324.356 1.874 20 5 DDBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835479 703339359 /nfs/dbraw/zinc/33/93/59/703339359.db2.gz BNPNHWSHEGRTGA-ZFWWWQNUSA-N 1 1 316.361 1.851 20 5 DDBDMO CNc1nccc(C(=O)OCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000848792147 703590118 /nfs/dbraw/zinc/59/01/18/703590118.db2.gz WHOQAMXWOCMRKR-UHFFFAOYSA-N 1 1 305.294 1.393 20 5 DDBDMO CC(C)(CCC(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)[N+](=O)[O-] ZINC000870089370 703912521 /nfs/dbraw/zinc/91/25/21/703912521.db2.gz AWJHTSSSMHICRI-CQSZACIVSA-N 1 1 321.377 1.701 20 5 DDBDMO C[N@H+](C[C@@H]1COCCO1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853558249 704269507 /nfs/dbraw/zinc/26/95/07/704269507.db2.gz FUUNTKGHBSSFLT-CYBMUJFWSA-N 1 1 306.322 1.249 20 5 DDBDMO C[N@@H+](C[C@@H]1COCCO1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853558249 704269509 /nfs/dbraw/zinc/26/95/09/704269509.db2.gz FUUNTKGHBSSFLT-CYBMUJFWSA-N 1 1 306.322 1.249 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000874457158 705074168 /nfs/dbraw/zinc/07/41/68/705074168.db2.gz HVVDXIASOJPFGI-ZDUSSCGKSA-N 1 1 320.393 1.187 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002749 705352582 /nfs/dbraw/zinc/35/25/82/705352582.db2.gz HAMAOQHRSSAJGL-SNVBAGLBSA-N 1 1 307.354 1.640 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099413 705599262 /nfs/dbraw/zinc/59/92/62/705599262.db2.gz ZCLTXVLJADWJHE-IUODEOHRSA-N 1 1 321.377 1.619 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000825895019 705742612 /nfs/dbraw/zinc/74/26/12/705742612.db2.gz AMSTWBDWQLGTEI-CQSZACIVSA-N 1 1 309.366 1.475 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035608 705915999 /nfs/dbraw/zinc/91/59/99/705915999.db2.gz RPHTYFSOPSWULA-VCTAVGKDSA-N 1 1 319.361 1.227 20 5 DDBDMO CC(C)(CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO)[N+](=O)[O-] ZINC000827349186 705983046 /nfs/dbraw/zinc/98/30/46/705983046.db2.gz HTEWMFFJSDEHHL-ZDUSSCGKSA-N 1 1 315.414 1.175 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000877438394 706107721 /nfs/dbraw/zinc/10/77/21/706107721.db2.gz NLMVRBPRUGEUHM-ZDUSSCGKSA-N 1 1 307.394 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000877438394 706107727 /nfs/dbraw/zinc/10/77/27/706107727.db2.gz NLMVRBPRUGEUHM-ZDUSSCGKSA-N 1 1 307.394 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000877438394 706107729 /nfs/dbraw/zinc/10/77/29/706107729.db2.gz NLMVRBPRUGEUHM-ZDUSSCGKSA-N 1 1 307.394 1.710 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000828095280 706117320 /nfs/dbraw/zinc/11/73/20/706117320.db2.gz LWXFGHNKNAAQTN-HUBLWGQQSA-N 1 1 321.377 1.569 20 5 DDBDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000877714543 706186449 /nfs/dbraw/zinc/18/64/49/706186449.db2.gz NUPRNWAIOYJCKQ-HNNXBMFYSA-N 1 1 319.317 1.489 20 5 DDBDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000877714543 706186450 /nfs/dbraw/zinc/18/64/50/706186450.db2.gz NUPRNWAIOYJCKQ-HNNXBMFYSA-N 1 1 319.317 1.489 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000864963337 706313475 /nfs/dbraw/zinc/31/34/75/706313475.db2.gz USCOMQGAUKLGRB-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000830110205 706456321 /nfs/dbraw/zinc/45/63/21/706456321.db2.gz BQSDJGYEUARYBU-AQNFWKISSA-N 1 1 303.362 1.907 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000880184712 706904676 /nfs/dbraw/zinc/90/46/76/706904676.db2.gz QGLAQTWPZDPIBS-RISCZKNCSA-N 1 1 309.322 1.809 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000880460705 706981858 /nfs/dbraw/zinc/98/18/58/706981858.db2.gz BNSOSEYWAZWBGQ-OAHLLOKOSA-N 1 1 304.350 1.847 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000883079648 707920536 /nfs/dbraw/zinc/92/05/36/707920536.db2.gz ZBKVSNPIIUJTNU-GFCCVEGCSA-N 1 1 321.381 1.400 20 5 DDBDMO CC(=O)c1ccc(N2CCN(C)CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000897098441 708229908 /nfs/dbraw/zinc/22/99/08/708229908.db2.gz GOSWUKREXUXOQG-UHFFFAOYSA-N 1 1 320.393 1.481 20 5 DDBDMO CC(=O)c1ccc(N2CCN(C)CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000897098441 708229910 /nfs/dbraw/zinc/22/99/10/708229910.db2.gz GOSWUKREXUXOQG-UHFFFAOYSA-N 1 1 320.393 1.481 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC000897221940 708259337 /nfs/dbraw/zinc/25/93/37/708259337.db2.gz QOMCJTZXKNQCEC-OLZOCXBDSA-N 1 1 306.366 1.334 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886193736 708712300 /nfs/dbraw/zinc/71/23/00/708712300.db2.gz BEAYUAXAQMBYDC-CYBMUJFWSA-N 1 1 306.366 1.871 20 5 DDBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285197 708735814 /nfs/dbraw/zinc/73/58/14/708735814.db2.gz AYSRTBVUXHMETD-GFCCVEGCSA-N 1 1 304.350 1.434 20 5 DDBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285197 708735815 /nfs/dbraw/zinc/73/58/15/708735815.db2.gz AYSRTBVUXHMETD-GFCCVEGCSA-N 1 1 304.350 1.434 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887928170 709167702 /nfs/dbraw/zinc/16/77/02/709167702.db2.gz YMFJLRZHJZVLTJ-MEDUHNTESA-N 1 1 319.361 1.627 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000901233409 709978301 /nfs/dbraw/zinc/97/83/01/709978301.db2.gz LENXNTUYDMSWDY-INIZCTEOSA-N 1 1 321.377 1.100 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000891346536 710166913 /nfs/dbraw/zinc/16/69/13/710166913.db2.gz YRESJGTUXRFOAD-CYBMUJFWSA-N 1 1 313.333 1.479 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000891559072 710235910 /nfs/dbraw/zinc/23/59/10/710235910.db2.gz HLMIFULYTUOCKG-UHFFFAOYSA-N 1 1 307.379 1.712 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC000891567334 710237755 /nfs/dbraw/zinc/23/77/55/710237755.db2.gz HLTFPHVGIAKKBZ-UHFFFAOYSA-N 1 1 324.333 1.648 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928453867 713204100 /nfs/dbraw/zinc/20/41/00/713204100.db2.gz OWSUDWXEZYAJAP-VXGBXAGGSA-N 1 1 306.366 1.606 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928459939 713206191 /nfs/dbraw/zinc/20/61/91/713206191.db2.gz YJMPGQZVGIOOKA-OLZOCXBDSA-N 1 1 321.377 1.881 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000928560173 713226866 /nfs/dbraw/zinc/22/68/66/713226866.db2.gz PHWXTRKOPPTWKG-VIFPVBQESA-N 1 1 315.276 1.630 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000928560173 713226869 /nfs/dbraw/zinc/22/68/69/713226869.db2.gz PHWXTRKOPPTWKG-VIFPVBQESA-N 1 1 315.276 1.630 20 5 DDBDMO COc1c(O)ccc(CN(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000894981424 711349449 /nfs/dbraw/zinc/34/94/49/711349449.db2.gz IFUVBUPBGVTVQW-LBPRGKRZSA-N 1 1 309.366 1.835 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000895101157 711412478 /nfs/dbraw/zinc/41/24/78/711412478.db2.gz ZXIOYRRWKZQJJM-PHIMTYICSA-N 1 1 322.365 1.695 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245595 711463333 /nfs/dbraw/zinc/46/33/33/711463333.db2.gz GOMIIKIAYJDLQL-JQWIXIFHSA-N 1 1 310.402 1.166 20 5 DDBDMO O=c1[nH]ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895570433 711545576 /nfs/dbraw/zinc/54/55/76/711545576.db2.gz SYKVXOBFCDZVIF-GXSJLCMTSA-N 1 1 310.379 1.687 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896580796 711758213 /nfs/dbraw/zinc/75/82/13/711758213.db2.gz IYKJTLDPURECNG-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1[nH]nc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914444059 713396185 /nfs/dbraw/zinc/39/61/85/713396185.db2.gz OVIGKETXHXVVDD-PWSUYJOCSA-N 1 1 323.397 1.961 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000930915425 713957572 /nfs/dbraw/zinc/95/75/72/713957572.db2.gz KWSXGMHCKRNEFO-JMSVASOKSA-N 1 1 321.377 1.948 20 5 DDBDMO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043576 713989347 /nfs/dbraw/zinc/98/93/47/713989347.db2.gz QQULNZKQEVDCKO-OCCSQVGLSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931043576 713989349 /nfs/dbraw/zinc/98/93/49/713989349.db2.gz QQULNZKQEVDCKO-OCCSQVGLSA-N 1 1 320.393 1.948 20 5 DDBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178273 714279740 /nfs/dbraw/zinc/27/97/40/714279740.db2.gz KVULTFPKRPABQG-JIMOISOXSA-N 1 1 314.363 1.057 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000923330838 714317128 /nfs/dbraw/zinc/31/71/28/714317128.db2.gz CJSDOWYUUOJWJF-BVUBDWEXSA-N 1 1 305.378 1.687 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646848 714374607 /nfs/dbraw/zinc/37/46/07/714374607.db2.gz UTYMGRMWIGRXTA-JSGCOSHPSA-N 1 1 308.334 1.513 20 5 DDBDMO C[C@H]([NH2+][C@H]1C(=O)NCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000933038613 714506046 /nfs/dbraw/zinc/50/60/46/714506046.db2.gz NGZIYLMBPLWHOH-FZMZJTMJSA-N 1 1 319.361 1.541 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933757254 714665189 /nfs/dbraw/zinc/66/51/89/714665189.db2.gz MMLOVRYGUCOCSV-LRDDRELGSA-N 1 1 319.361 1.691 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122782 714748722 /nfs/dbraw/zinc/74/87/22/714748722.db2.gz WOIFGXQCGSYYQT-KBPBESRZSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122782 714748726 /nfs/dbraw/zinc/74/87/26/714748726.db2.gz WOIFGXQCGSYYQT-KBPBESRZSA-N 1 1 307.350 1.951 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001164669123 719379662 /nfs/dbraw/zinc/37/96/62/719379662.db2.gz QBKCUQXSDZXWPF-KBPBESRZSA-N 1 1 315.333 1.057 20 5 DDBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000895488237 740797600 /nfs/dbraw/zinc/79/76/00/740797600.db2.gz WKSZZZMKHGJVNM-INIZCTEOSA-N 1 1 318.377 1.609 20 5 DDBDMO Cc1ncsc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002784109 743426392 /nfs/dbraw/zinc/42/63/92/743426392.db2.gz YQRMUQVUKWHKKS-VXGBXAGGSA-N 1 1 324.406 1.197 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001184364206 744019668 /nfs/dbraw/zinc/01/96/68/744019668.db2.gz OOJSGTIPHGIZPV-XGFUNVHXSA-N 1 1 320.389 1.921 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC001195305569 746572247 /nfs/dbraw/zinc/57/22/47/746572247.db2.gz DGUPGQGKQVRKTK-ZDUSSCGKSA-N 1 1 319.361 1.573 20 5 DDBDMO CNC(=O)N[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001197759197 747248450 /nfs/dbraw/zinc/24/84/50/747248450.db2.gz OTLFCZBNPTZINZ-GFCCVEGCSA-N 1 1 322.365 1.367 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080700 751247100 /nfs/dbraw/zinc/24/71/00/751247100.db2.gz VGECPZAUWXQULS-OJLVUWQFSA-N 1 1 315.373 1.861 20 5 DDBDMO CCOC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168960764 762155363 /nfs/dbraw/zinc/15/53/63/762155363.db2.gz GYLJWYWSVPWPLJ-RYUDHWBXSA-N 1 1 300.355 1.134 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011997 762178738 /nfs/dbraw/zinc/17/87/38/762178738.db2.gz OMIMZTMCAYEEAZ-VLEAKVRGSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011997 762178741 /nfs/dbraw/zinc/17/87/41/762178741.db2.gz OMIMZTMCAYEEAZ-VLEAKVRGSA-N 1 1 314.279 1.769 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057439 762210639 /nfs/dbraw/zinc/21/06/39/762210639.db2.gz VIOXNHDUPCBKPX-CFVMTHIKSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001040699869 762652708 /nfs/dbraw/zinc/65/27/08/762652708.db2.gz HENARKREOWMVRO-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001170897948 771896996 /nfs/dbraw/zinc/89/69/96/771896996.db2.gz QVLMVFNAFVFXNV-CYBMUJFWSA-N 1 1 302.338 1.487 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136444166 771969499 /nfs/dbraw/zinc/96/94/99/771969499.db2.gz CQCSSZUFUUEYEK-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO CCC1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001146274642 772833188 /nfs/dbraw/zinc/83/31/88/772833188.db2.gz YSDUHROHBHPXMG-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093642219 774918662 /nfs/dbraw/zinc/91/86/62/774918662.db2.gz QSDXYKRXSJZTRV-UHFFFAOYSA-N 1 1 321.312 1.467 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093770927 775068521 /nfs/dbraw/zinc/06/85/21/775068521.db2.gz OPOHPENCOLSXHB-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110158579 775939444 /nfs/dbraw/zinc/93/94/44/775939444.db2.gz MIBBZPNKGUPKHA-UHFFFAOYSA-N 1 1 320.393 1.996 20 5 DDBDMO N=c1cc(C[NH3+])ncn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899762 776915065 /nfs/dbraw/zinc/91/50/65/776915065.db2.gz PFUIZBCSQWCEOY-CQSZACIVSA-N 1 1 313.361 1.850 20 5 DDBDMO C[C@]1(O)COCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906390 776917075 /nfs/dbraw/zinc/91/70/75/776917075.db2.gz XPBWHHXHGSSTGE-NVXWUHKLSA-N 1 1 320.389 1.925 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001173235433 777065159 /nfs/dbraw/zinc/06/51/59/777065159.db2.gz WYJLKJHLROVBGX-BBRMVZONSA-N 1 1 319.405 1.931 20 5 DDBDMO CC[N@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001116150877 780479761 /nfs/dbraw/zinc/47/97/61/780479761.db2.gz ZMAWRYCLOVVTJG-AWEZNQCLSA-N 1 1 322.340 1.813 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001120040269 781734901 /nfs/dbraw/zinc/73/49/01/781734901.db2.gz CBVCMYYIFCQQCF-HNNXBMFYSA-N 1 1 306.366 1.921 20 5 DDBDMO Cc1cnc(NCC2(N(C)C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001156176014 862776629 /nfs/dbraw/zinc/77/66/29/862776629.db2.gz HIQCHNKHHZPIDI-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCC3)C2)n1 ZINC001161177803 859978978 /nfs/dbraw/zinc/97/89/78/859978978.db2.gz UOCVEWPWIWBDQU-JTQLQIEISA-N 1 1 307.354 1.741 20 5 DDBDMO C[NH2+][C@@H]1CCN1c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001156658494 863241020 /nfs/dbraw/zinc/24/10/20/863241020.db2.gz CGZSANDMJZHMGU-ZDUSSCGKSA-N 1 1 303.297 1.947 20 5 DDBDMO Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])sc1C ZINC001157760694 864111190 /nfs/dbraw/zinc/11/11/90/864111190.db2.gz HINUQABQZHULBA-GHMZBOCLSA-N 1 1 312.395 1.021 20 5 DDBDMO CC(=O)N1CC(Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001159934081 865606906 /nfs/dbraw/zinc/60/69/06/865606906.db2.gz IGFFHNNLPFIDLL-SNAWJCMRSA-N 1 1 305.338 1.165 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001225613016 881937246 /nfs/dbraw/zinc/93/72/46/881937246.db2.gz MVTCJSMYTBMPGM-ZKYQVNSYSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001225613016 881937255 /nfs/dbraw/zinc/93/72/55/881937255.db2.gz MVTCJSMYTBMPGM-ZKYQVNSYSA-N 1 1 306.318 1.786 20 5 DDBDMO O=[N+]([O-])c1cc[n+]([O-])c(NCC[NH+]2CCC(F)(F)CC2)c1 ZINC001160747301 866093170 /nfs/dbraw/zinc/09/31/70/866093170.db2.gz HNZFYNZCDGLBCV-UHFFFAOYSA-N 1 1 302.281 1.371 20 5 DDBDMO CCc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001321053191 867269251 /nfs/dbraw/zinc/26/92/51/867269251.db2.gz XGZKODWLSKNVED-DOOVEFGSSA-N 1 1 317.389 1.676 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001162341319 867474750 /nfs/dbraw/zinc/47/47/50/867474750.db2.gz KLEAAZHIFNNZKH-AWEZNQCLSA-N 1 1 308.338 1.673 20 5 DDBDMO NC(=O)COC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001321424033 867583898 /nfs/dbraw/zinc/58/38/98/867583898.db2.gz PNAJUDZVRFIZSX-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1C(C)(C)C ZINC001163929784 868801718 /nfs/dbraw/zinc/80/17/18/868801718.db2.gz NENIAYAIQVLCNR-CQSZACIVSA-N 1 1 320.393 1.979 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2Cc3cncnc3C2)ncc1[N+](=O)[O-] ZINC001163984485 868845512 /nfs/dbraw/zinc/84/55/12/868845512.db2.gz FUMGLHIJACSQID-ONEGZZNKSA-N 1 1 312.333 1.832 20 5 DDBDMO CC(C)[N@@H+](CCO)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001336725109 869110246 /nfs/dbraw/zinc/11/02/46/869110246.db2.gz AXJHCWLWEUGWLO-UHFFFAOYSA-N 1 1 322.409 1.909 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001336745183 869119639 /nfs/dbraw/zinc/11/96/39/869119639.db2.gz GNMRDFSFHOMKDA-NSHDSACASA-N 1 1 322.365 1.981 20 5 DDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001339340146 870452338 /nfs/dbraw/zinc/45/23/38/870452338.db2.gz MOXKTVBMGJSKGB-UPJWGTAASA-N 1 1 324.429 1.802 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317439427 870837424 /nfs/dbraw/zinc/83/74/24/870837424.db2.gz SEHFIEPIPMGWOA-UHFFFAOYSA-N 1 1 314.345 1.852 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001340735210 871318225 /nfs/dbraw/zinc/31/82/25/871318225.db2.gz JWSUNMMMAIWADB-YGRLFVJLSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001340735210 871318244 /nfs/dbraw/zinc/31/82/44/871318244.db2.gz JWSUNMMMAIWADB-YGRLFVJLSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001340735207 871318888 /nfs/dbraw/zinc/31/88/88/871318888.db2.gz JWSUNMMMAIWADB-HZMBPMFUSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001340735207 871318907 /nfs/dbraw/zinc/31/89/07/871318907.db2.gz JWSUNMMMAIWADB-HZMBPMFUSA-N 1 1 322.365 1.085 20 5 DDBDMO C[C@H]1COCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001341004480 871462925 /nfs/dbraw/zinc/46/29/25/871462925.db2.gz HHWPXGALRIUCIH-IAQYHMDHSA-N 1 1 307.350 1.264 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(OCC[N@@H+]2CC[C@@H](OC)C2)c1 ZINC001227043632 882790672 /nfs/dbraw/zinc/79/06/72/882790672.db2.gz HCAFSUFPAKNDIM-GFCCVEGCSA-N 1 1 324.333 1.481 20 5 DDBDMO CC(C)[C@H](C(=O)Oc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC001347948132 874315795 /nfs/dbraw/zinc/31/57/95/874315795.db2.gz BQSWIDNVNOCYBB-CQSZACIVSA-N 1 1 324.333 1.858 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998648 874915733 /nfs/dbraw/zinc/91/57/33/874915733.db2.gz MLTKTYAHMOTCFZ-VXGBXAGGSA-N 1 1 322.340 1.625 20 5 DDBDMO C[C@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC001350622694 875789227 /nfs/dbraw/zinc/78/92/27/875789227.db2.gz FODOTWRIKSVRGR-NSHDSACASA-N 1 1 307.350 1.794 20 5 DDBDMO C[N@H+]1CC[C@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448635 883026279 /nfs/dbraw/zinc/02/62/79/883026279.db2.gz HODLYXMZJYBFKL-ZDUSSCGKSA-N 1 1 312.325 1.614 20 5 DDBDMO CC(C)CNC(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC001351783231 876430203 /nfs/dbraw/zinc/43/02/03/876430203.db2.gz VQJSOCRZEUINQL-UHFFFAOYSA-N 1 1 302.334 1.749 20 5 DDBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC001300086628 876874203 /nfs/dbraw/zinc/87/42/03/876874203.db2.gz IGHPYHYALLFCPW-AOOOYVTPSA-N 1 1 307.354 1.127 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC001300086628 876874207 /nfs/dbraw/zinc/87/42/07/876874207.db2.gz IGHPYHYALLFCPW-AOOOYVTPSA-N 1 1 307.354 1.127 20 5 DDBDMO CC[N@@H+]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602941 883568276 /nfs/dbraw/zinc/56/82/76/883568276.db2.gz HIXNYFJGXSQXKB-SNVBAGLBSA-N 1 1 308.338 1.831 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602941 883568285 /nfs/dbraw/zinc/56/82/85/883568285.db2.gz HIXNYFJGXSQXKB-SNVBAGLBSA-N 1 1 308.338 1.831 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292259343 913628359 /nfs/dbraw/zinc/62/83/59/913628359.db2.gz WVZJHZRKKSTAFS-UHFFFAOYSA-N 1 1 321.381 1.518 20 5 DDBDMO O=C1NC[C@@H]2CC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 ZINC001254602095 896525410 /nfs/dbraw/zinc/52/54/10/896525410.db2.gz AYUIHCAFDWUGFH-GLQYFDAESA-N 1 1 301.346 1.130 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603455 896526575 /nfs/dbraw/zinc/52/65/75/896526575.db2.gz NGPTYYNHPHAOIR-ZBFHGGJFSA-N 1 1 317.345 1.636 20 5 DDBDMO CC(C)(CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCOCC1 ZINC000278386515 214132579 /nfs/dbraw/zinc/13/25/79/214132579.db2.gz FOAAMHGEBXGAKK-UHFFFAOYSA-N 1 1 319.365 1.994 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305770780 231048477 /nfs/dbraw/zinc/04/84/77/231048477.db2.gz XYLPSRHELDHNNT-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305770780 231048479 /nfs/dbraw/zinc/04/84/79/231048479.db2.gz XYLPSRHELDHNNT-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000451363043 231076681 /nfs/dbraw/zinc/07/66/81/231076681.db2.gz RODGRUYBMLKLRL-NSHDSACASA-N 1 1 309.366 1.933 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278760989 214383064 /nfs/dbraw/zinc/38/30/64/214383064.db2.gz BNOGNRNNMGBMGG-HNNXBMFYSA-N 1 1 305.334 1.186 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000495209543 529441579 /nfs/dbraw/zinc/44/15/79/529441579.db2.gz BCNULLOPQBLBQU-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249585270 282177975 /nfs/dbraw/zinc/17/79/75/282177975.db2.gz SSHADDZWKUMIAL-BXUZGUMPSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249585270 282177976 /nfs/dbraw/zinc/17/79/76/282177976.db2.gz SSHADDZWKUMIAL-BXUZGUMPSA-N 1 1 307.350 1.559 20 5 DDBDMO CNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083132909 185213637 /nfs/dbraw/zinc/21/36/37/185213637.db2.gz QGXAACIELYCISG-UHFFFAOYSA-N 1 1 318.333 1.694 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071335 231289851 /nfs/dbraw/zinc/28/98/51/231289851.db2.gz UMKDNEFYWOJEQQ-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452071335 231289855 /nfs/dbraw/zinc/28/98/55/231289855.db2.gz UMKDNEFYWOJEQQ-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000452346739 231354086 /nfs/dbraw/zinc/35/40/86/231354086.db2.gz HGJYUROXNWEBRQ-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358133548 299085093 /nfs/dbraw/zinc/08/50/93/299085093.db2.gz ZCMQRIAYVSAWQJ-SNVBAGLBSA-N 1 1 306.322 1.425 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000420813313 529966626 /nfs/dbraw/zinc/96/66/26/529966626.db2.gz YGYMQIKJBWLYOC-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000458168647 530054558 /nfs/dbraw/zinc/05/45/58/530054558.db2.gz NPNYCXLGDPREJJ-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292391674 282355525 /nfs/dbraw/zinc/35/55/25/282355525.db2.gz UBIXIYLJJPBOGV-CYBMUJFWSA-N 1 1 307.379 1.836 20 5 DDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331009141 530072122 /nfs/dbraw/zinc/07/21/22/530072122.db2.gz RCFHNKGSVVATNA-UHFFFAOYSA-N 1 1 323.397 1.069 20 5 DDBDMO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000279730483 215098992 /nfs/dbraw/zinc/09/89/92/215098992.db2.gz JOINSVHHWXOAGR-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000279730483 215098995 /nfs/dbraw/zinc/09/89/95/215098995.db2.gz JOINSVHHWXOAGR-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272562889 209979336 /nfs/dbraw/zinc/97/93/36/209979336.db2.gz UNRDILDCLUKAFC-TZMCWYRMSA-N 1 1 319.361 1.526 20 5 DDBDMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026160112 352206385 /nfs/dbraw/zinc/20/63/85/352206385.db2.gz KSJLOYJBVLQWQS-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000046047163 352434058 /nfs/dbraw/zinc/43/40/58/352434058.db2.gz GTNPKBHWUWADIY-ZDUSSCGKSA-N 1 1 322.365 1.250 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000052519050 352613375 /nfs/dbraw/zinc/61/33/75/352613375.db2.gz WMYVTTSXKJSPTE-ZDUSSCGKSA-N 1 1 321.381 1.400 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000051205562 352581071 /nfs/dbraw/zinc/58/10/71/352581071.db2.gz YAZVOBNOHKTPTF-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@@H]1C ZINC000055362621 352730125 /nfs/dbraw/zinc/73/01/25/352730125.db2.gz HYFYOIFIFATVMS-RYUDHWBXSA-N 1 1 309.370 1.170 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000057716566 352825832 /nfs/dbraw/zinc/82/58/32/352825832.db2.gz AHQZNMYGUSGGNL-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063812469 352925929 /nfs/dbraw/zinc/92/59/29/352925929.db2.gz HPBFNSLFFWLSGP-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000063834458 352926483 /nfs/dbraw/zinc/92/64/83/352926483.db2.gz YYXMFCRXDFEDBW-CYBMUJFWSA-N 1 1 321.377 1.820 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000173808647 198254981 /nfs/dbraw/zinc/25/49/81/198254981.db2.gz BIYYJSQIIFIPFK-GFCCVEGCSA-N 1 1 323.397 1.441 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000069502311 353164521 /nfs/dbraw/zinc/16/45/21/353164521.db2.gz NQAFUKCBSYIPOU-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO Cn1cc(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000072665167 353208044 /nfs/dbraw/zinc/20/80/44/353208044.db2.gz FBXFJFOMKCVVEJ-CYBMUJFWSA-N 1 1 316.365 1.452 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000074105744 353292539 /nfs/dbraw/zinc/29/25/39/353292539.db2.gz WFJRXAJIVRZKBI-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471251 198338989 /nfs/dbraw/zinc/33/89/89/198338989.db2.gz CPYBYWFRSUECHU-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471251 198338991 /nfs/dbraw/zinc/33/89/91/198338991.db2.gz CPYBYWFRSUECHU-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000174471251 198338993 /nfs/dbraw/zinc/33/89/93/198338993.db2.gz CPYBYWFRSUECHU-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000089265586 353763745 /nfs/dbraw/zinc/76/37/45/353763745.db2.gz KDGXWNYZNOIOJP-ZDUSSCGKSA-N 1 1 321.377 1.977 20 5 DDBDMO C[N@H+](Cc1cn[nH]c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000085825087 353736766 /nfs/dbraw/zinc/73/67/66/353736766.db2.gz ZUFGEVQMUHVSMM-CYBMUJFWSA-N 1 1 306.322 1.190 20 5 DDBDMO CCc1nn(C)c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000092830321 353872482 /nfs/dbraw/zinc/87/24/82/353872482.db2.gz QMHWYSPODQFSNS-GFCCVEGCSA-N 1 1 323.397 1.049 20 5 DDBDMO Cc1c(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154979196 354210125 /nfs/dbraw/zinc/21/01/25/354210125.db2.gz RGENMQFYFUQVRX-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1c(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154979196 354210129 /nfs/dbraw/zinc/21/01/29/354210129.db2.gz RGENMQFYFUQVRX-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000212552978 354310385 /nfs/dbraw/zinc/31/03/85/354310385.db2.gz DSPPHAZQGMIDAY-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293056327 354453277 /nfs/dbraw/zinc/45/32/77/354453277.db2.gz IFHQJXOLRKTUPR-UONOGXRCSA-N 1 1 324.377 1.429 20 5 DDBDMO C[N@@H+](C[C@H](O)C1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708925 354470809 /nfs/dbraw/zinc/47/08/09/354470809.db2.gz FJOOCMTZJGLBQH-CABCVRRESA-N 1 1 319.361 1.403 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000317784203 354512773 /nfs/dbraw/zinc/51/27/73/354512773.db2.gz XWFFGYKTDCAADJ-LLVKDONJSA-N 1 1 303.322 1.281 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000317784203 354512775 /nfs/dbraw/zinc/51/27/75/354512775.db2.gz XWFFGYKTDCAADJ-LLVKDONJSA-N 1 1 303.322 1.281 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCn2cccn2)c1 ZINC000589499756 354996736 /nfs/dbraw/zinc/99/67/36/354996736.db2.gz BHPPCUBTHAAKKE-UHFFFAOYSA-N 1 1 318.333 1.710 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCn2cccn2)c1 ZINC000589499756 354996738 /nfs/dbraw/zinc/99/67/38/354996738.db2.gz BHPPCUBTHAAKKE-UHFFFAOYSA-N 1 1 318.333 1.710 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515035 354998579 /nfs/dbraw/zinc/99/85/79/354998579.db2.gz OJGBUPHCMWPEEY-OAHLLOKOSA-N 1 1 308.334 1.728 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000590012856 355041895 /nfs/dbraw/zinc/04/18/95/355041895.db2.gz ZWWMMEGCKZHOJH-YGRLFVJLSA-N 1 1 301.350 1.607 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047002 355043642 /nfs/dbraw/zinc/04/36/42/355043642.db2.gz SCONKIOSKQMRRM-UKRRQHHQSA-N 1 1 303.362 1.690 20 5 DDBDMO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000593070123 355786495 /nfs/dbraw/zinc/78/64/95/355786495.db2.gz QEOYVGDPXCAEGZ-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593108102 355800745 /nfs/dbraw/zinc/80/07/45/355800745.db2.gz MZZHQWYAIUEPIB-NSHDSACASA-N 1 1 323.349 1.596 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCC[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593204807 355823845 /nfs/dbraw/zinc/82/38/45/355823845.db2.gz RFWAOJCGWHIBPH-UHFFFAOYSA-N 1 1 311.386 1.344 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026411 356093301 /nfs/dbraw/zinc/09/33/01/356093301.db2.gz AXDRKFNUAXPFEZ-LSDHHAIUSA-N 1 1 321.377 1.244 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594613781 356266382 /nfs/dbraw/zinc/26/63/82/356266382.db2.gz UORWFRXNXYLKQP-RVDBLKIQSA-N 1 1 317.389 1.749 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000594716038 356294274 /nfs/dbraw/zinc/29/42/74/356294274.db2.gz GWZOXUPYWIFDGD-LSDHHAIUSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000594716038 356294279 /nfs/dbraw/zinc/29/42/79/356294279.db2.gz GWZOXUPYWIFDGD-LSDHHAIUSA-N 1 1 320.324 1.738 20 5 DDBDMO Cc1noc(CN(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000595491305 356515935 /nfs/dbraw/zinc/51/59/35/356515935.db2.gz VILBGMUPZUYBII-UHFFFAOYSA-N 1 1 313.402 1.207 20 5 DDBDMO Cc1noc(CN(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000595491305 356515940 /nfs/dbraw/zinc/51/59/40/356515940.db2.gz VILBGMUPZUYBII-UHFFFAOYSA-N 1 1 313.402 1.207 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000595605763 356573101 /nfs/dbraw/zinc/57/31/01/356573101.db2.gz FXXVXFIGDJUPCZ-ZDUSSCGKSA-N 1 1 317.349 1.717 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)o2)cc1 ZINC000595763482 356643141 /nfs/dbraw/zinc/64/31/41/356643141.db2.gz FHIXAMDQZQCUKF-XHDPSFHLSA-N 1 1 316.317 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)o2)cc1 ZINC000595763482 356643144 /nfs/dbraw/zinc/64/31/44/356643144.db2.gz FHIXAMDQZQCUKF-XHDPSFHLSA-N 1 1 316.317 1.602 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000595838739 356673094 /nfs/dbraw/zinc/67/30/94/356673094.db2.gz VHVLNKQLXHPJTC-ZFWWWQNUSA-N 1 1 308.382 1.664 20 5 DDBDMO CC(C)(CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCOCC1 ZINC000596053812 356754524 /nfs/dbraw/zinc/75/45/24/356754524.db2.gz IPJSDGVHKGPZKP-UHFFFAOYSA-N 1 1 322.365 1.216 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596065563 356758475 /nfs/dbraw/zinc/75/84/75/356758475.db2.gz SEFHZWKRBQUZDT-PHIMTYICSA-N 1 1 324.381 1.995 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268207 356838607 /nfs/dbraw/zinc/83/86/07/356838607.db2.gz HXAZWCWSSIFDBR-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859806 357362547 /nfs/dbraw/zinc/36/25/47/357362547.db2.gz YHYYXJJETDVDPL-LBPRGKRZSA-N 1 1 323.397 1.479 20 5 DDBDMO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000597946291 357395040 /nfs/dbraw/zinc/39/50/40/357395040.db2.gz NKFYEUQTEJYECG-CYBMUJFWSA-N 1 1 323.397 1.351 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598599465 357648949 /nfs/dbraw/zinc/64/89/49/357648949.db2.gz OIWMFSGPDNZREM-VHSXEESVSA-N 1 1 308.338 1.671 20 5 DDBDMO COC(=O)c1ccnc(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000598614727 357654368 /nfs/dbraw/zinc/65/43/68/357654368.db2.gz SIKWJJLSEZIURZ-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598647023 357669256 /nfs/dbraw/zinc/66/92/56/357669256.db2.gz BPUSHZBFEBCPKL-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598647023 357669260 /nfs/dbraw/zinc/66/92/60/357669260.db2.gz BPUSHZBFEBCPKL-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598651460 357671600 /nfs/dbraw/zinc/67/16/00/357671600.db2.gz SVENGAPEZBXIAW-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598651460 357671605 /nfs/dbraw/zinc/67/16/05/357671605.db2.gz SVENGAPEZBXIAW-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598651504 357671804 /nfs/dbraw/zinc/67/18/04/357671804.db2.gz UPHUJDLSXVWQQV-NEPJUHHUSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598651504 357671808 /nfs/dbraw/zinc/67/18/08/357671808.db2.gz UPHUJDLSXVWQQV-NEPJUHHUSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000599071090 357807881 /nfs/dbraw/zinc/80/78/81/357807881.db2.gz PQPDHPIGUKWLIM-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568168 357976758 /nfs/dbraw/zinc/97/67/58/357976758.db2.gz QVEWEMFEVDZEMP-ABAIWWIYSA-N 1 1 308.334 1.920 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000599639636 358002082 /nfs/dbraw/zinc/00/20/82/358002082.db2.gz KXCIGUMQHJKAEM-XJKSGUPXSA-N 1 1 319.361 1.288 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599674070 358019793 /nfs/dbraw/zinc/01/97/93/358019793.db2.gz WBSNPHCOVVKPEW-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO COC[C@@]1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599695356 358029687 /nfs/dbraw/zinc/02/96/87/358029687.db2.gz XNQYPISQBCPATH-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@@]1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599695356 358029691 /nfs/dbraw/zinc/02/96/91/358029691.db2.gz XNQYPISQBCPATH-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599786084 358059129 /nfs/dbraw/zinc/05/91/29/358059129.db2.gz CTNWIRHOZSJZQP-CYBMUJFWSA-N 1 1 322.365 1.345 20 5 DDBDMO C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829694 358068141 /nfs/dbraw/zinc/06/81/41/358068141.db2.gz CCMLBJUCCZMFCM-UHFFFAOYSA-N 1 1 315.333 1.922 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600112601 358126886 /nfs/dbraw/zinc/12/68/86/358126886.db2.gz RRWDNFIZMXAKPE-UHFFFAOYSA-N 1 1 309.322 1.125 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229133 358163538 /nfs/dbraw/zinc/16/35/38/358163538.db2.gz PWLAWDBKMXZPGW-CYBMUJFWSA-N 1 1 321.381 1.315 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600553246 358255038 /nfs/dbraw/zinc/25/50/38/358255038.db2.gz TZKRPVZWSQPUDE-SNVBAGLBSA-N 1 1 313.741 1.045 20 5 DDBDMO C[NH+]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000600885433 358338809 /nfs/dbraw/zinc/33/88/09/358338809.db2.gz GYSIQGKXLLCSEL-UHFFFAOYSA-N 1 1 303.362 1.791 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000601116100 358408271 /nfs/dbraw/zinc/40/82/71/358408271.db2.gz OEEPKQXOXZWXBJ-UHFFFAOYSA-N 1 1 312.395 1.621 20 5 DDBDMO CN(CC(=O)NC1CC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601100993 358401672 /nfs/dbraw/zinc/40/16/72/358401672.db2.gz SFPULKNUBPTEHT-UHFFFAOYSA-N 1 1 300.318 1.858 20 5 DDBDMO C[N@H+]1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000601159971 358426443 /nfs/dbraw/zinc/42/64/43/358426443.db2.gz OTCBRLNPVCHKSX-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601175890 358434256 /nfs/dbraw/zinc/43/42/56/358434256.db2.gz RJFRCSYSFSARAW-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO CCN1C[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601183490 358437763 /nfs/dbraw/zinc/43/77/63/358437763.db2.gz CQCMWJGTLDTVQZ-NSHDSACASA-N 1 1 314.345 1.845 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000601185339 358438521 /nfs/dbraw/zinc/43/85/21/358438521.db2.gz WOUXPWZOFWIYNO-CYBMUJFWSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973312 358760075 /nfs/dbraw/zinc/76/00/75/358760075.db2.gz JVXPQFJQNQMZCG-SDDRHHMPSA-N 1 1 305.334 1.500 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000602839812 359229347 /nfs/dbraw/zinc/22/93/47/359229347.db2.gz IVAMJXIHFUMBNX-HUUCEWRRSA-N 1 1 316.361 1.908 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000602907662 359286639 /nfs/dbraw/zinc/28/66/39/359286639.db2.gz ZSOGSBWINAQYED-ZDUSSCGKSA-N 1 1 309.366 1.102 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000602914822 359291537 /nfs/dbraw/zinc/29/15/37/359291537.db2.gz JKZIHDPSPHUFJT-SMDDFHAHSA-N 1 1 312.395 1.085 20 5 DDBDMO Cn1cc(C2=CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000602889941 359273729 /nfs/dbraw/zinc/27/37/29/359273729.db2.gz XKBZQOUCHAJTNU-UHFFFAOYSA-N 1 1 302.338 1.314 20 5 DDBDMO Cn1cc(C2=CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000602889941 359273731 /nfs/dbraw/zinc/27/37/31/359273731.db2.gz XKBZQOUCHAJTNU-UHFFFAOYSA-N 1 1 302.338 1.314 20 5 DDBDMO C[NH+](C)C[C@@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891703 359275634 /nfs/dbraw/zinc/27/56/34/359275634.db2.gz OCGNFKMXSUEMIY-INIZCTEOSA-N 1 1 307.394 1.526 20 5 DDBDMO C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891703 359275639 /nfs/dbraw/zinc/27/56/39/359275639.db2.gz OCGNFKMXSUEMIY-INIZCTEOSA-N 1 1 307.394 1.526 20 5 DDBDMO CN(C)C[C@@]1(O)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891703 359275643 /nfs/dbraw/zinc/27/56/43/359275643.db2.gz OCGNFKMXSUEMIY-INIZCTEOSA-N 1 1 307.394 1.526 20 5 DDBDMO CN(C)C[C@@]1(O)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602891703 359275646 /nfs/dbraw/zinc/27/56/46/359275646.db2.gz OCGNFKMXSUEMIY-INIZCTEOSA-N 1 1 307.394 1.526 20 5 DDBDMO O=[N+]([O-])c1cc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cs1 ZINC000603206261 359481059 /nfs/dbraw/zinc/48/10/59/359481059.db2.gz ONBWHSOTVNMRBB-GFCCVEGCSA-N 1 1 323.378 1.253 20 5 DDBDMO O=[N+]([O-])c1cc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cs1 ZINC000603206261 359481061 /nfs/dbraw/zinc/48/10/61/359481061.db2.gz ONBWHSOTVNMRBB-GFCCVEGCSA-N 1 1 323.378 1.253 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000186915341 200030220 /nfs/dbraw/zinc/03/02/20/200030220.db2.gz NTUAGCVDPLSWLR-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000186915341 200030221 /nfs/dbraw/zinc/03/02/21/200030221.db2.gz NTUAGCVDPLSWLR-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])nc2)C[C@H]1[NH+]1CCOCC1 ZINC000603407689 359621675 /nfs/dbraw/zinc/62/16/75/359621675.db2.gz SPOXAQZFCVGVCK-CHWSQXEVSA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187124624 200065967 /nfs/dbraw/zinc/06/59/67/200065967.db2.gz GOKKRQVLLNAAHJ-UHFFFAOYSA-N 1 1 319.321 1.411 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000609357433 360300880 /nfs/dbraw/zinc/30/08/80/360300880.db2.gz INVWVGHFTKJLGN-SNVBAGLBSA-N 1 1 321.333 1.395 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609111599 360260569 /nfs/dbraw/zinc/26/05/69/360260569.db2.gz PIQMSQXLXHZROA-CYBMUJFWSA-N 1 1 307.398 1.675 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000609675160 360344126 /nfs/dbraw/zinc/34/41/26/360344126.db2.gz ZVPIIDLMKINKNR-ZDUSSCGKSA-N 1 1 305.382 1.206 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609471160 360311995 /nfs/dbraw/zinc/31/19/95/360311995.db2.gz CWHGPHBJPFHBAN-LBPRGKRZSA-N 1 1 322.365 1.367 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000610506556 360456319 /nfs/dbraw/zinc/45/63/19/360456319.db2.gz BKNSRYAQLWXBEY-YPMHNXCESA-N 1 1 305.334 1.327 20 5 DDBDMO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610756450 360528945 /nfs/dbraw/zinc/52/89/45/360528945.db2.gz NJDKCTBQXJMMBT-UHFFFAOYSA-N 1 1 312.395 1.257 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000612086860 360913971 /nfs/dbraw/zinc/91/39/71/360913971.db2.gz YZYIHLRJYCOCLA-GXTWGEPZSA-N 1 1 310.350 1.037 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000612120810 360924919 /nfs/dbraw/zinc/92/49/19/360924919.db2.gz XAOOTEIONWKJKW-CYBMUJFWSA-N 1 1 322.361 1.447 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619255014 363946621 /nfs/dbraw/zinc/94/66/21/363946621.db2.gz SIMWKWIQUFEUSC-ZIAGYGMSSA-N 1 1 322.340 1.557 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000619759459 364143274 /nfs/dbraw/zinc/14/32/74/364143274.db2.gz MPAXTROGFFDLEH-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619879243 364172150 /nfs/dbraw/zinc/17/21/50/364172150.db2.gz NWPWSFRGJMMGFS-UHFFFAOYSA-N 1 1 307.354 1.266 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](O)CC1 ZINC000293013088 223352300 /nfs/dbraw/zinc/35/23/00/223352300.db2.gz DRZOVRRKJLIZAR-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](O)CC1 ZINC000293013088 223352301 /nfs/dbraw/zinc/35/23/01/223352301.db2.gz DRZOVRRKJLIZAR-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO C[NH2+][C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000261987855 203167791 /nfs/dbraw/zinc/16/77/91/203167791.db2.gz KRSHZZHQFGVOSO-CYBMUJFWSA-N 1 1 303.322 1.536 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000350049649 284138779 /nfs/dbraw/zinc/13/87/79/284138779.db2.gz QLSJTQUSYRYXPU-VURMDHGXSA-N 1 1 306.366 1.811 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264731073 204111919 /nfs/dbraw/zinc/11/19/19/204111919.db2.gz HXUYMPXAPFJXNP-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)c1csc([N+](=O)[O-])c1 ZINC000264798550 204164354 /nfs/dbraw/zinc/16/43/54/204164354.db2.gz MLOGWLYUKWZVAW-UHFFFAOYSA-N 1 1 301.393 1.435 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C(=O)NCCF ZINC000282650524 217152178 /nfs/dbraw/zinc/15/21/78/217152178.db2.gz LBNDWCRYIXYQJZ-SNVBAGLBSA-N 1 1 313.329 1.557 20 5 DDBDMO CC[N@H+](CCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267855044 206305765 /nfs/dbraw/zinc/30/57/65/206305765.db2.gz DIMYOQKKXHQPKZ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267855044 206305766 /nfs/dbraw/zinc/30/57/66/206305766.db2.gz DIMYOQKKXHQPKZ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000174646604 248373083 /nfs/dbraw/zinc/37/30/83/248373083.db2.gz ZDNXYYLOAMEKLN-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO COc1ccccc1CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174847597 248384624 /nfs/dbraw/zinc/38/46/24/248384624.db2.gz KYYIEJQQXLGAMA-UHFFFAOYSA-N 1 1 304.350 1.974 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000106397043 194206069 /nfs/dbraw/zinc/20/60/69/194206069.db2.gz OSUSBQCFCWVRAR-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000106401843 194208028 /nfs/dbraw/zinc/20/80/28/194208028.db2.gz LWTKDHGXCYFITD-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000109428750 194262182 /nfs/dbraw/zinc/26/21/82/194262182.db2.gz WWQNEZCAGUATIQ-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939986 251289766 /nfs/dbraw/zinc/28/97/66/251289766.db2.gz XTJUVCLSYINTFS-JOYOIKCWSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939986 251289772 /nfs/dbraw/zinc/28/97/72/251289772.db2.gz XTJUVCLSYINTFS-JOYOIKCWSA-N 1 1 304.306 1.600 20 5 DDBDMO NC(=O)c1cccc(NC[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC000340924593 251280227 /nfs/dbraw/zinc/28/02/27/251280227.db2.gz NSLGUBBRXRJXBY-JTQLQIEISA-N 1 1 315.333 1.565 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270063297 208120959 /nfs/dbraw/zinc/12/09/59/208120959.db2.gz FPBBLVHPRAUKEW-GFCCVEGCSA-N 1 1 321.381 1.430 20 5 DDBDMO COc1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272944065 210328866 /nfs/dbraw/zinc/32/88/66/210328866.db2.gz MEKOGDSSZPPAPL-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC000451199593 533137912 /nfs/dbraw/zinc/13/79/12/533137912.db2.gz RGIFCSRBVPCBFO-JTQLQIEISA-N 1 1 311.313 1.976 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@@H]1O ZINC000352692823 285232458 /nfs/dbraw/zinc/23/24/58/285232458.db2.gz GZAWORRXVKCKKC-KBPBESRZSA-N 1 1 308.334 1.807 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000422711135 533222772 /nfs/dbraw/zinc/22/27/72/533222772.db2.gz GRAUZRNZMPFUIJ-WCQYABFASA-N 1 1 309.366 1.460 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(Cl)c1 ZINC000069144507 406686806 /nfs/dbraw/zinc/68/68/06/406686806.db2.gz UVCZJPKTCFPGRI-JTQLQIEISA-N 1 1 318.782 1.915 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070076794 406808435 /nfs/dbraw/zinc/80/84/35/406808435.db2.gz QNYMVCFDOJRHAQ-NXEZZACHSA-N 1 1 313.379 1.274 20 5 DDBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077221080 406981012 /nfs/dbraw/zinc/98/10/12/406981012.db2.gz NWBPJRDXBCPTPN-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO CO[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000076345141 406964893 /nfs/dbraw/zinc/96/48/93/406964893.db2.gz GMFCEABNXJTZNJ-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000076345141 406964894 /nfs/dbraw/zinc/96/48/94/406964894.db2.gz GMFCEABNXJTZNJ-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1C ZINC000088059692 407120668 /nfs/dbraw/zinc/12/06/68/407120668.db2.gz MVGHFIXWQYTIKP-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000092974696 407193373 /nfs/dbraw/zinc/19/33/73/407193373.db2.gz WDAYHAZRIKAWCK-GQCTYLIASA-N 1 1 305.378 1.872 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000063693018 407234309 /nfs/dbraw/zinc/23/43/09/407234309.db2.gz ULHQOSXDNYIFJD-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000123466185 407329632 /nfs/dbraw/zinc/32/96/32/407329632.db2.gz APGDAEPDWIYXQB-CQSZACIVSA-N 1 1 314.313 1.792 20 5 DDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000104188958 407349242 /nfs/dbraw/zinc/34/92/42/407349242.db2.gz KLEWDCXARQCRPB-JTQLQIEISA-N 1 1 309.391 1.998 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000124198739 407350874 /nfs/dbraw/zinc/35/08/74/407350874.db2.gz OWYAETCEBVDMKE-SNVBAGLBSA-N 1 1 313.379 1.140 20 5 DDBDMO CCOCC[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000107680924 407377860 /nfs/dbraw/zinc/37/78/60/407377860.db2.gz ULMOBRHTZGPNDZ-UHFFFAOYSA-N 1 1 321.377 1.842 20 5 DDBDMO CCOCC[N@@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000107680924 407377861 /nfs/dbraw/zinc/37/78/61/407377861.db2.gz ULMOBRHTZGPNDZ-UHFFFAOYSA-N 1 1 321.377 1.842 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000112309288 407425527 /nfs/dbraw/zinc/42/55/27/407425527.db2.gz JBFAJZRUFIBJHC-UHFFFAOYSA-N 1 1 311.386 1.375 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](CO)C3)n2)c1 ZINC000265831901 407474509 /nfs/dbraw/zinc/47/45/09/407474509.db2.gz MRNRBOQZTUBJEL-LLVKDONJSA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](CO)C3)n2)c1 ZINC000265831901 407474514 /nfs/dbraw/zinc/47/45/14/407474514.db2.gz MRNRBOQZTUBJEL-LLVKDONJSA-N 1 1 318.333 1.849 20 5 DDBDMO CN(CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266333749 407537531 /nfs/dbraw/zinc/53/75/31/407537531.db2.gz WJELZZUJZGSIGL-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266381960 407538185 /nfs/dbraw/zinc/53/81/85/407538185.db2.gz AXAXNQDQOGCESE-AWEZNQCLSA-N 1 1 324.768 1.938 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000271304598 407627484 /nfs/dbraw/zinc/62/74/84/407627484.db2.gz JQGLWVZHMYRODT-UHFFFAOYSA-N 1 1 309.351 1.281 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186518768 407690159 /nfs/dbraw/zinc/69/01/59/407690159.db2.gz MFYKRSUJKGYKQX-KBPBESRZSA-N 1 1 310.350 1.310 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186518768 407690163 /nfs/dbraw/zinc/69/01/63/407690163.db2.gz MFYKRSUJKGYKQX-KBPBESRZSA-N 1 1 310.350 1.310 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000130500327 407696740 /nfs/dbraw/zinc/69/67/40/407696740.db2.gz BXTAWVNOKSJOEU-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153493416 407836100 /nfs/dbraw/zinc/83/61/00/407836100.db2.gz BEQJOTKGWPLPSF-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000262583741 407874032 /nfs/dbraw/zinc/87/40/32/407874032.db2.gz ZKILLPCTQGZJHB-INIZCTEOSA-N 1 1 304.394 1.117 20 5 DDBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000135561204 408031460 /nfs/dbraw/zinc/03/14/60/408031460.db2.gz NVECDCTZMCOIPT-LBPRGKRZSA-N 1 1 304.354 1.534 20 5 DDBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273060355 408038627 /nfs/dbraw/zinc/03/86/27/408038627.db2.gz YJKRMQOLEQXAJS-GFCCVEGCSA-N 1 1 318.377 1.773 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000119440136 408070474 /nfs/dbraw/zinc/07/04/74/408070474.db2.gz ZJYZFBNUKLGITF-UHFFFAOYSA-N 1 1 309.366 1.140 20 5 DDBDMO C[N@@H+](CC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000154825378 408092495 /nfs/dbraw/zinc/09/24/95/408092495.db2.gz SQGVZNWSXLVTCX-AWEZNQCLSA-N 1 1 323.418 1.691 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189572957 408055937 /nfs/dbraw/zinc/05/59/37/408055937.db2.gz OQOOYPUHRYIPNQ-UONOGXRCSA-N 1 1 307.394 1.524 20 5 DDBDMO CC[N@@H+](CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-])C1CC1 ZINC000263754745 408241321 /nfs/dbraw/zinc/24/13/21/408241321.db2.gz QEAMIDUODBLFJN-UHFFFAOYSA-N 1 1 306.366 1.851 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000150768386 408196727 /nfs/dbraw/zinc/19/67/27/408196727.db2.gz ONSMJZDDWHBYTP-ZDUSSCGKSA-N 1 1 308.382 1.845 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246371218 408235611 /nfs/dbraw/zinc/23/56/11/408235611.db2.gz LVUMSQJTJSQXSU-WDEREUQCSA-N 1 1 323.349 1.663 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1 ZINC000176207813 408308967 /nfs/dbraw/zinc/30/89/67/408308967.db2.gz MHAMGWCFDUYVFY-UHFFFAOYSA-N 1 1 303.322 1.362 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1 ZINC000176207813 408308971 /nfs/dbraw/zinc/30/89/71/408308971.db2.gz MHAMGWCFDUYVFY-UHFFFAOYSA-N 1 1 303.322 1.362 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195844 408350039 /nfs/dbraw/zinc/35/00/39/408350039.db2.gz CMCIEMWMFLZBEV-TUAOUCFPSA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268363 408440970 /nfs/dbraw/zinc/44/09/70/408440970.db2.gz KGDKJGXCIKJHIH-SMDDNHRTSA-N 1 1 315.333 1.493 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268363 408440977 /nfs/dbraw/zinc/44/09/77/408440977.db2.gz KGDKJGXCIKJHIH-SMDDNHRTSA-N 1 1 315.333 1.493 20 5 DDBDMO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274828899 408546953 /nfs/dbraw/zinc/54/69/53/408546953.db2.gz YZLFSKDVDAYPLL-LBPRGKRZSA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274828899 408546958 /nfs/dbraw/zinc/54/69/58/408546958.db2.gz YZLFSKDVDAYPLL-LBPRGKRZSA-N 1 1 307.350 1.903 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000270544558 408573485 /nfs/dbraw/zinc/57/34/85/408573485.db2.gz MBWJOXNFVCFQGS-LSDHHAIUSA-N 1 1 317.349 1.384 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184246855 408577953 /nfs/dbraw/zinc/57/79/53/408577953.db2.gz FQIABSMWUNWUCY-VIFPVBQESA-N 1 1 314.313 1.983 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184246855 408577958 /nfs/dbraw/zinc/57/79/58/408577958.db2.gz FQIABSMWUNWUCY-VIFPVBQESA-N 1 1 314.313 1.983 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1O ZINC000249566285 408743430 /nfs/dbraw/zinc/74/34/30/408743430.db2.gz NCLSMCTVUJXNSN-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1O ZINC000249566285 408743433 /nfs/dbraw/zinc/74/34/33/408743433.db2.gz NCLSMCTVUJXNSN-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000265529859 408685117 /nfs/dbraw/zinc/68/51/17/408685117.db2.gz FHBATYZRYQNUOB-UHFFFAOYSA-N 1 1 311.769 1.955 20 5 DDBDMO O=C1NCC[C@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178206424 408786639 /nfs/dbraw/zinc/78/66/39/408786639.db2.gz LOHMIJZNRBHBRW-CQSZACIVSA-N 1 1 305.334 1.327 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286354492 408968793 /nfs/dbraw/zinc/96/87/93/408968793.db2.gz HDLPMRFJPWHFKW-SNVBAGLBSA-N 1 1 308.338 1.037 20 5 DDBDMO CC(C)([NH2+]CC(=O)Nc1nncs1)c1ccccc1[N+](=O)[O-] ZINC000292113473 408983891 /nfs/dbraw/zinc/98/38/91/408983891.db2.gz JIZABEIYFMPSBQ-UHFFFAOYSA-N 1 1 321.362 1.910 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292269748 409013126 /nfs/dbraw/zinc/01/31/26/409013126.db2.gz QARTYDXPLQBCIV-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000287549768 409053714 /nfs/dbraw/zinc/05/37/14/409053714.db2.gz WGCFISWEVPXTKZ-ZDUSSCGKSA-N 1 1 306.366 1.455 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](C)CCN1C ZINC000287549768 409053716 /nfs/dbraw/zinc/05/37/16/409053716.db2.gz WGCFISWEVPXTKZ-ZDUSSCGKSA-N 1 1 306.366 1.455 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](O)CC3)n2)cc1 ZINC000293269555 409079762 /nfs/dbraw/zinc/07/97/62/409079762.db2.gz UVRDGSZVUWRKOD-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](O)CC3)n2)cc1 ZINC000293269555 409079765 /nfs/dbraw/zinc/07/97/65/409079765.db2.gz UVRDGSZVUWRKOD-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278865668 409103908 /nfs/dbraw/zinc/10/39/08/409103908.db2.gz LRSGUBJFWFIMEE-OAHLLOKOSA-N 1 1 305.334 1.315 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](C2CCC2)C1 ZINC000293604298 409146288 /nfs/dbraw/zinc/14/62/88/409146288.db2.gz DCMHEUKNMJIJKT-SNVBAGLBSA-N 1 1 307.354 1.264 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000288610878 409172656 /nfs/dbraw/zinc/17/26/56/409172656.db2.gz WZXQKNDXZAYYJQ-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000288610878 409172658 /nfs/dbraw/zinc/17/26/58/409172658.db2.gz WZXQKNDXZAYYJQ-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@H+]1C1CC1 ZINC000279492341 409223707 /nfs/dbraw/zinc/22/37/07/409223707.db2.gz RSEFPJUUPNLAIC-RKDXNWHRSA-N 1 1 322.340 1.671 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCO)CC1 ZINC000283977274 409250640 /nfs/dbraw/zinc/25/06/40/409250640.db2.gz ZRNURLKZDZZHSD-UHFFFAOYSA-N 1 1 307.350 1.302 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000280274026 409282880 /nfs/dbraw/zinc/28/28/80/409282880.db2.gz MWOGCSFGFNYAOQ-ZDUSSCGKSA-N 1 1 308.294 1.200 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000295221625 409381907 /nfs/dbraw/zinc/38/19/07/409381907.db2.gz MTWNCPNVCUMRFO-CYBMUJFWSA-N 1 1 313.333 1.044 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000295221625 409381913 /nfs/dbraw/zinc/38/19/13/409381913.db2.gz MTWNCPNVCUMRFO-CYBMUJFWSA-N 1 1 313.333 1.044 20 5 DDBDMO C[N@H+](Cc1ccccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295243785 409394392 /nfs/dbraw/zinc/39/43/92/409394392.db2.gz YKTZZNBLLJOMGD-OAHLLOKOSA-N 1 1 317.345 1.862 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357056813 164138310 /nfs/dbraw/zinc/13/83/10/164138310.db2.gz XZGLJNYDMVITDQ-NSHDSACASA-N 1 1 309.370 1.275 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182339 164254075 /nfs/dbraw/zinc/25/40/75/164254075.db2.gz JJSXAAJFPIDZKI-RYUDHWBXSA-N 1 1 306.366 1.632 20 5 DDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798517 409617095 /nfs/dbraw/zinc/61/70/95/409617095.db2.gz GLOLHYMIOYYQEO-YMTOWFKASA-N 1 1 305.334 1.513 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798517 409617097 /nfs/dbraw/zinc/61/70/97/409617097.db2.gz GLOLHYMIOYYQEO-YMTOWFKASA-N 1 1 305.334 1.513 20 5 DDBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798492 409618274 /nfs/dbraw/zinc/61/82/74/409618274.db2.gz GLOLHYMIOYYQEO-OTYXRUKQSA-N 1 1 305.334 1.513 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798492 409618277 /nfs/dbraw/zinc/61/82/77/409618277.db2.gz GLOLHYMIOYYQEO-OTYXRUKQSA-N 1 1 305.334 1.513 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccccn2)cc1 ZINC000342351062 409586020 /nfs/dbraw/zinc/58/60/20/409586020.db2.gz ZNOVJWKYPKZRGG-UHFFFAOYSA-N 1 1 321.358 1.553 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356851426 409660860 /nfs/dbraw/zinc/66/08/60/409660860.db2.gz MPTRJULPERWSEL-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356851426 409660863 /nfs/dbraw/zinc/66/08/63/409660863.db2.gz MPTRJULPERWSEL-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO C[N@@H+](CC[C@@H]1CCCO1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609860 409763249 /nfs/dbraw/zinc/76/32/49/409763249.db2.gz WGULFFXXYIXQOS-GJZGRUSLSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@@H+](CC[C@H]1CCCO1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609862 409763708 /nfs/dbraw/zinc/76/37/08/409763708.db2.gz WGULFFXXYIXQOS-HUUCEWRRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052079 409821598 /nfs/dbraw/zinc/82/15/98/409821598.db2.gz QXMANWCXANSZMM-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO CC(C)CC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298146610 410123188 /nfs/dbraw/zinc/12/31/88/410123188.db2.gz RFQPMBBMGNTMFF-AWEZNQCLSA-N 1 1 322.409 1.909 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351787261 410234353 /nfs/dbraw/zinc/23/43/53/410234353.db2.gz YTGXOEZMEGSNIZ-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000351940184 410352984 /nfs/dbraw/zinc/35/29/84/410352984.db2.gz ZUCYTKUUCNAYSQ-VHSXEESVSA-N 1 1 307.354 1.127 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000347152521 410364856 /nfs/dbraw/zinc/36/48/56/410364856.db2.gz YPUXJGUXIIUGCM-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000298735794 410371123 /nfs/dbraw/zinc/37/11/23/410371123.db2.gz KLTUWDHVYUVGKW-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C(N)=O)no1 ZINC000347367295 410497973 /nfs/dbraw/zinc/49/79/73/410497973.db2.gz FFYHXMHDVQMKQY-YHYXMXQVSA-N 1 1 316.317 1.875 20 5 DDBDMO C[N@H+]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299123461 410532558 /nfs/dbraw/zinc/53/25/58/410532558.db2.gz WZFZFRVGHFYIDT-UHFFFAOYSA-N 1 1 306.366 1.484 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299210920 410571458 /nfs/dbraw/zinc/57/14/58/410571458.db2.gz CUKTUDNTPCVFLW-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO O=C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000359305292 410591756 /nfs/dbraw/zinc/59/17/56/410591756.db2.gz KTBHMENRKKTCNT-TXEJJXNPSA-N 1 1 304.350 1.075 20 5 DDBDMO CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202909 410544984 /nfs/dbraw/zinc/54/49/84/410544984.db2.gz NLQALLCWHRECLO-CMPLNLGQSA-N 1 1 309.366 1.933 20 5 DDBDMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301208215 410675567 /nfs/dbraw/zinc/67/55/67/410675567.db2.gz QSUUCKRHZVLQKG-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000352952637 410697783 /nfs/dbraw/zinc/69/77/83/410697783.db2.gz VXJVMUKNUPRGIM-QWRGUYRKSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000330449419 410697848 /nfs/dbraw/zinc/69/78/48/410697848.db2.gz HMMUDEHGXFNEKA-LBPRGKRZSA-N 1 1 323.393 1.577 20 5 DDBDMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000330449419 410697854 /nfs/dbraw/zinc/69/78/54/410697854.db2.gz HMMUDEHGXFNEKA-LBPRGKRZSA-N 1 1 323.393 1.577 20 5 DDBDMO COc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000337375107 410744118 /nfs/dbraw/zinc/74/41/18/410744118.db2.gz ZVPPBUKJRAWFPF-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599616 410815451 /nfs/dbraw/zinc/81/54/51/410815451.db2.gz ULMZLCIZBONOSL-VXGBXAGGSA-N 1 1 307.350 1.525 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000330549384 410769945 /nfs/dbraw/zinc/76/99/45/410769945.db2.gz DFIMTDQAFADQER-SMDDNHRTSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000330549384 410769948 /nfs/dbraw/zinc/76/99/48/410769948.db2.gz DFIMTDQAFADQER-SMDDNHRTSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCNC1=O ZINC000340222397 410772632 /nfs/dbraw/zinc/77/26/32/410772632.db2.gz MHFIGONZHKTCSP-CYBMUJFWSA-N 1 1 320.349 1.052 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330586594 410801063 /nfs/dbraw/zinc/80/10/63/410801063.db2.gz LTWHXYXSZQRZMB-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO CCc1nn(C)c(N2CC[N@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301914549 410826561 /nfs/dbraw/zinc/82/65/61/410826561.db2.gz FUPFVHWUUHMGHF-NSHDSACASA-N 1 1 311.386 1.048 20 5 DDBDMO CCc1nn(C)c(N2CC[N@@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301914549 410826568 /nfs/dbraw/zinc/82/65/68/410826568.db2.gz FUPFVHWUUHMGHF-NSHDSACASA-N 1 1 311.386 1.048 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000330656080 410854279 /nfs/dbraw/zinc/85/42/79/410854279.db2.gz OMMQKXZXTIZKSN-UHFFFAOYSA-N 1 1 309.370 1.323 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000344054453 410924511 /nfs/dbraw/zinc/92/45/11/410924511.db2.gz IXZSRJJQWUKLAJ-LNSITVRQSA-N 1 1 322.361 1.685 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000337762998 410988224 /nfs/dbraw/zinc/98/82/24/410988224.db2.gz AKSWPAUSKWUYGA-UHFFFAOYSA-N 1 1 312.333 2.545 20 5 DDBDMO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000131387123 196164262 /nfs/dbraw/zinc/16/42/62/196164262.db2.gz MKZFZNMDIVTQBZ-LBPRGKRZSA-N 1 1 323.418 1.691 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362086965 307013711 /nfs/dbraw/zinc/01/37/11/307013711.db2.gz LFXAKBUVMMJIAF-NWDGAFQWSA-N 1 1 310.350 1.542 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461925 418431240 /nfs/dbraw/zinc/43/12/40/418431240.db2.gz SIWSWKUMUOWVGP-QKPAOTATSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461925 418431243 /nfs/dbraw/zinc/43/12/43/418431243.db2.gz SIWSWKUMUOWVGP-QKPAOTATSA-N 1 1 315.373 1.242 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373461925 418431245 /nfs/dbraw/zinc/43/12/45/418431245.db2.gz SIWSWKUMUOWVGP-QKPAOTATSA-N 1 1 315.373 1.242 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000366299026 418453418 /nfs/dbraw/zinc/45/34/18/418453418.db2.gz SUOJBIIHXDKYER-LBPRGKRZSA-N 1 1 308.407 1.926 20 5 DDBDMO Cc1cc(C2=CC[N@@H+]([C@H]3CCNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000366488882 418480273 /nfs/dbraw/zinc/48/02/73/418480273.db2.gz UZRHEIISWHTEMO-ZDUSSCGKSA-N 1 1 316.361 1.463 20 5 DDBDMO Cc1cc(C2=CC[N@H+]([C@H]3CCNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000366488882 418480276 /nfs/dbraw/zinc/48/02/76/418480276.db2.gz UZRHEIISWHTEMO-ZDUSSCGKSA-N 1 1 316.361 1.463 20 5 DDBDMO C=Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000193983960 222168804 /nfs/dbraw/zinc/16/88/04/222168804.db2.gz MFUWDVPSMQCTKO-ZDUSSCGKSA-N 1 1 314.349 1.973 20 5 DDBDMO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195506418 222203531 /nfs/dbraw/zinc/20/35/31/222203531.db2.gz DVYBRKMCUOAFOQ-JTQLQIEISA-N 1 1 300.384 1.820 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000195506418 222203535 /nfs/dbraw/zinc/20/35/35/222203535.db2.gz DVYBRKMCUOAFOQ-JTQLQIEISA-N 1 1 300.384 1.820 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375034707 418591800 /nfs/dbraw/zinc/59/18/00/418591800.db2.gz DDUATUHTINATFK-UKRRQHHQSA-N 1 1 305.378 2.000 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414269 418647917 /nfs/dbraw/zinc/64/79/17/418647917.db2.gz ILSFYHKNTIMSRU-BXUZGUMPSA-N 1 1 310.350 1.180 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000375331650 418628751 /nfs/dbraw/zinc/62/87/51/418628751.db2.gz IUSWRMIFSWAVQI-LBPRGKRZSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000375331650 418628753 /nfs/dbraw/zinc/62/87/53/418628753.db2.gz IUSWRMIFSWAVQI-LBPRGKRZSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000361361351 418633842 /nfs/dbraw/zinc/63/38/42/418633842.db2.gz GBAIXFMVJSLITO-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO CC[N@@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000357256833 418651199 /nfs/dbraw/zinc/65/11/99/418651199.db2.gz AXNTXYKJFBLMQI-UHFFFAOYSA-N 1 1 319.365 2.386 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368230636 418706631 /nfs/dbraw/zinc/70/66/31/418706631.db2.gz DYQZQBXUCHKQSW-GXTWGEPZSA-N 1 1 319.361 1.561 20 5 DDBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361592163 418688704 /nfs/dbraw/zinc/68/87/04/418688704.db2.gz AGJGJECJMZDLKJ-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361592163 418688708 /nfs/dbraw/zinc/68/87/08/418688708.db2.gz AGJGJECJMZDLKJ-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361593755 418689686 /nfs/dbraw/zinc/68/96/86/418689686.db2.gz HICVYHGTKJRNPY-KGLIPLIRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621816 418794141 /nfs/dbraw/zinc/79/41/41/418794141.db2.gz FBMXTYVBVSNCEX-UZWSLXQKSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621816 418794144 /nfs/dbraw/zinc/79/41/44/418794144.db2.gz FBMXTYVBVSNCEX-UZWSLXQKSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621816 418794146 /nfs/dbraw/zinc/79/41/46/418794146.db2.gz FBMXTYVBVSNCEX-UZWSLXQKSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000372973149 418917599 /nfs/dbraw/zinc/91/75/99/418917599.db2.gz JCTIBSAUMWBMQP-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425049914 228355102 /nfs/dbraw/zinc/35/51/02/228355102.db2.gz PYQJLYYWWBSAPT-SMDDNHRTSA-N 1 1 304.350 1.464 20 5 DDBDMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421700063 419690344 /nfs/dbraw/zinc/69/03/44/419690344.db2.gz CXXJNMBQJPLKPC-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CN(C)c1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000354557015 306779411 /nfs/dbraw/zinc/77/94/11/306779411.db2.gz VRBSROBPHPGFIB-UHFFFAOYSA-N 1 1 301.306 1.890 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000429227233 419987334 /nfs/dbraw/zinc/98/73/34/419987334.db2.gz NWGGWHOFGCSFJQ-ZDUSSCGKSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CNCC[C@@H]1C ZINC000423355973 420025109 /nfs/dbraw/zinc/02/51/09/420025109.db2.gz GCHPJJCJACRMQK-ZOWXZIJZSA-N 1 1 320.393 1.900 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423494112 420061779 /nfs/dbraw/zinc/06/17/79/420061779.db2.gz RPTADJVHIPDEGC-HZPDHXFCSA-N 1 1 319.405 1.884 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415756777 420168104 /nfs/dbraw/zinc/16/81/04/420168104.db2.gz FJRXFOYAYFEIRD-UHFFFAOYSA-N 1 1 302.281 1.873 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423966239 420285841 /nfs/dbraw/zinc/28/58/41/420285841.db2.gz IIRKNMBROUZEID-HNNXBMFYSA-N 1 1 312.329 1.777 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423969124 420287035 /nfs/dbraw/zinc/28/70/35/420287035.db2.gz LGHAPHDEXPXGER-GFCCVEGCSA-N 1 1 301.306 1.105 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296422 420313409 /nfs/dbraw/zinc/31/34/09/420313409.db2.gz NVKSLGUSTQTOLW-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416383564 420351687 /nfs/dbraw/zinc/35/16/87/420351687.db2.gz DWZSRIPZLGUGLJ-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416383564 420351690 /nfs/dbraw/zinc/35/16/90/420351690.db2.gz DWZSRIPZLGUGLJ-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO CN(C)c1[nH+]cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1C ZINC000425341716 420360051 /nfs/dbraw/zinc/36/00/51/420360051.db2.gz XUPBISLZBFUEMS-UHFFFAOYSA-N 1 1 315.377 1.953 20 5 DDBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416496863 420394778 /nfs/dbraw/zinc/39/47/78/420394778.db2.gz RAAAQMPMCPUICL-VIFPVBQESA-N 1 1 319.408 1.195 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000446061668 230222684 /nfs/dbraw/zinc/22/26/84/230222684.db2.gz RCNGODKAIKJIBX-RQJABVFESA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000446061668 230222687 /nfs/dbraw/zinc/22/26/87/230222687.db2.gz RCNGODKAIKJIBX-RQJABVFESA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439102608 420479491 /nfs/dbraw/zinc/47/94/91/420479491.db2.gz TXGOKJUPKPOUGA-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000450950242 420569278 /nfs/dbraw/zinc/56/92/78/420569278.db2.gz CHNONMDLMHPDDN-SECBINFHSA-N 1 1 323.378 1.102 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000452068829 420620326 /nfs/dbraw/zinc/62/03/26/420620326.db2.gz PCPCWBCBKNHKGC-WCQYABFASA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948954 421059559 /nfs/dbraw/zinc/05/95/59/421059559.db2.gz MYWBOJQSNDAASZ-TZMCWYRMSA-N 1 1 305.378 1.793 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488725272 421108480 /nfs/dbraw/zinc/10/84/80/421108480.db2.gz ALCAOBWMBAYRQG-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488725272 421108482 /nfs/dbraw/zinc/10/84/82/421108482.db2.gz ALCAOBWMBAYRQG-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724932 421108838 /nfs/dbraw/zinc/10/88/38/421108838.db2.gz AXHIHJCOCBBSEZ-GHMZBOCLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000525804610 421303368 /nfs/dbraw/zinc/30/33/68/421303368.db2.gz FHHOMFUTJUKDLI-ZDUSSCGKSA-N 1 1 320.393 1.489 20 5 DDBDMO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000562302204 421349539 /nfs/dbraw/zinc/34/95/39/421349539.db2.gz VLQWCSQZLHUGHS-BNOWGMLFSA-N 1 1 303.362 1.718 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000562850368 421420473 /nfs/dbraw/zinc/42/04/73/421420473.db2.gz QSZMQSGRAOPNJX-LBPRGKRZSA-N 1 1 320.349 1.086 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000562850368 421420474 /nfs/dbraw/zinc/42/04/74/421420474.db2.gz QSZMQSGRAOPNJX-LBPRGKRZSA-N 1 1 320.349 1.086 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000562933253 421428283 /nfs/dbraw/zinc/42/82/83/421428283.db2.gz CLVYUJFESHVXPJ-CYBMUJFWSA-N 1 1 306.366 1.220 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000548403848 421434037 /nfs/dbraw/zinc/43/40/37/421434037.db2.gz HDWYBMFEWHFEPW-CYBMUJFWSA-N 1 1 308.382 1.784 20 5 DDBDMO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000563821272 421546626 /nfs/dbraw/zinc/54/66/26/421546626.db2.gz QBJIKQSUAFPMTP-VXGBXAGGSA-N 1 1 318.333 1.894 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000533827339 421683845 /nfs/dbraw/zinc/68/38/45/421683845.db2.gz BCKFMSAUCJBLBH-GFCCVEGCSA-N 1 1 315.333 1.543 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000533827339 421683849 /nfs/dbraw/zinc/68/38/49/421683849.db2.gz BCKFMSAUCJBLBH-GFCCVEGCSA-N 1 1 315.333 1.543 20 5 DDBDMO O=C(Cn1c[nH+]c2c1CCCC2)NCc1cccc([N+](=O)[O-])c1 ZINC000543645788 421839512 /nfs/dbraw/zinc/83/95/12/421839512.db2.gz CDIUWKTXJAXAEQ-UHFFFAOYSA-N 1 1 314.345 1.987 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590571734 422320351 /nfs/dbraw/zinc/32/03/51/422320351.db2.gz GULPJLOBHUHDBG-PHIMTYICSA-N 1 1 323.397 1.872 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344477073 272034002 /nfs/dbraw/zinc/03/40/02/272034002.db2.gz YSSDARZFKGKOHI-TXEJJXNPSA-N 1 1 323.397 1.431 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000345962908 272376798 /nfs/dbraw/zinc/37/67/98/272376798.db2.gz PTDVYNBGDNIVOT-WDEREUQCSA-N 1 1 306.366 1.732 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000302153255 275041091 /nfs/dbraw/zinc/04/10/91/275041091.db2.gz LMFONTCZJNJYQL-UHFFFAOYSA-N 1 1 305.363 1.769 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000279192438 276041394 /nfs/dbraw/zinc/04/13/94/276041394.db2.gz KDDMUVNSOIQADB-AOOOYVTPSA-N 1 1 307.354 1.075 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000279192438 276041395 /nfs/dbraw/zinc/04/13/95/276041395.db2.gz KDDMUVNSOIQADB-AOOOYVTPSA-N 1 1 307.354 1.075 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000279192438 276041397 /nfs/dbraw/zinc/04/13/97/276041397.db2.gz KDDMUVNSOIQADB-AOOOYVTPSA-N 1 1 307.354 1.075 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183120774 279031884 /nfs/dbraw/zinc/03/18/84/279031884.db2.gz URVOVVWSZFOTNM-AWEZNQCLSA-N 1 1 320.349 1.156 20 5 DDBDMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246705829 282008166 /nfs/dbraw/zinc/00/81/66/282008166.db2.gz JXKPKNZWVOZHHW-ZYHUDNBSSA-N 1 1 310.379 1.907 20 5 DDBDMO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000089304767 298156937 /nfs/dbraw/zinc/15/69/37/298156937.db2.gz TZBUOJWSSPPKTB-GFCCVEGCSA-N 1 1 323.418 1.691 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000354005115 298336800 /nfs/dbraw/zinc/33/68/00/298336800.db2.gz FBRLTGKWFHQBBU-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354241686 298379101 /nfs/dbraw/zinc/37/91/01/298379101.db2.gz XQQNJUGCVINPGO-GFCCVEGCSA-N 1 1 316.361 1.617 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000362905825 300175195 /nfs/dbraw/zinc/17/51/95/300175195.db2.gz JRZIVCSYBGNOEG-AWEZNQCLSA-N 1 1 319.361 1.670 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982491 300193778 /nfs/dbraw/zinc/19/37/78/300193778.db2.gz MEEQCJVGNRZGER-GXFFZTMASA-N 1 1 304.350 1.072 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125567 300215747 /nfs/dbraw/zinc/21/57/47/300215747.db2.gz RFBOOHWYROVARE-HIFRSBDPSA-N 1 1 319.361 1.496 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000368579791 301056611 /nfs/dbraw/zinc/05/66/11/301056611.db2.gz UIIKPGDLXUFWMH-WDEREUQCSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000531506000 303247695 /nfs/dbraw/zinc/24/76/95/303247695.db2.gz BBDFBTLFIRGBNT-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532988075 303303371 /nfs/dbraw/zinc/30/33/71/303303371.db2.gz JOEZQXXEMXZRBO-UHFFFAOYSA-N 1 1 307.350 1.668 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000420586178 303347582 /nfs/dbraw/zinc/34/75/82/303347582.db2.gz OPCUEQXDUGEUTL-SNVBAGLBSA-N 1 1 315.333 1.801 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548387562 303585752 /nfs/dbraw/zinc/58/57/52/303585752.db2.gz NXNDHIRQQCFIEI-UHFFFAOYSA-N 1 1 315.333 1.209 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 ZINC000361925043 307011437 /nfs/dbraw/zinc/01/14/37/307011437.db2.gz IDIUPVGKISDPFJ-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000363779155 307035658 /nfs/dbraw/zinc/03/56/58/307035658.db2.gz CGYYRDNVFCJRSR-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000363779155 307035659 /nfs/dbraw/zinc/03/56/59/307035659.db2.gz CGYYRDNVFCJRSR-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000371511977 307151824 /nfs/dbraw/zinc/15/18/24/307151824.db2.gz ULRSRLPAANYTGF-STQMWFEESA-N 1 1 319.361 1.960 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000372864757 307175163 /nfs/dbraw/zinc/17/51/63/307175163.db2.gz ABGHAJZUPPGXLZ-ZDUSSCGKSA-N 1 1 319.361 1.914 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000374072841 307202430 /nfs/dbraw/zinc/20/24/30/307202430.db2.gz UNQHARNDWKREFZ-ZIAGYGMSSA-N 1 1 305.334 1.184 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374390424 307207256 /nfs/dbraw/zinc/20/72/56/307207256.db2.gz WGOGYLZULQRHJP-UHFFFAOYSA-N 1 1 316.361 1.901 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000375942952 307234767 /nfs/dbraw/zinc/23/47/67/307234767.db2.gz RXBFWEUSKDVHIC-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000377217218 307266358 /nfs/dbraw/zinc/26/63/58/307266358.db2.gz XRMNYRMIIGWGKR-ZDUSSCGKSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000377217218 307266359 /nfs/dbraw/zinc/26/63/59/307266359.db2.gz XRMNYRMIIGWGKR-ZDUSSCGKSA-N 1 1 303.322 1.642 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582961067 337218980 /nfs/dbraw/zinc/21/89/80/337218980.db2.gz NAGWPXJPPUBOJV-LLVKDONJSA-N 1 1 303.366 1.997 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]1(C)CO ZINC000595874490 490371993 /nfs/dbraw/zinc/37/19/93/490371993.db2.gz PCNNODFNRQTKFK-BZNIZROVSA-N 1 1 322.361 1.912 20 5 DDBDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290276 533755918 /nfs/dbraw/zinc/75/59/18/533755918.db2.gz CFDLHPLGNGUOLU-DHMWGJHJSA-N 1 1 308.382 1.805 20 5 DDBDMO COc1cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419344558 533829003 /nfs/dbraw/zinc/82/90/03/533829003.db2.gz SAOSHEOHHYWYNH-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO Cc1c(NC(=O)CCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000298120491 533899727 /nfs/dbraw/zinc/89/97/27/533899727.db2.gz SYHGIRMRCYZVQH-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000298120491 533899737 /nfs/dbraw/zinc/89/97/37/533899737.db2.gz SYHGIRMRCYZVQH-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000298120491 533899742 /nfs/dbraw/zinc/89/97/42/533899742.db2.gz SYHGIRMRCYZVQH-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292839964 534320311 /nfs/dbraw/zinc/32/03/11/534320311.db2.gz UUHSWKFYHIZJMX-ZDUSSCGKSA-N 1 1 307.350 1.136 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330715829 534348454 /nfs/dbraw/zinc/34/84/54/534348454.db2.gz SYXIJMYRMRVWQN-CMPLNLGQSA-N 1 1 313.379 1.327 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330715829 534348458 /nfs/dbraw/zinc/34/84/58/534348458.db2.gz SYXIJMYRMRVWQN-CMPLNLGQSA-N 1 1 313.379 1.327 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000331341072 528936408 /nfs/dbraw/zinc/93/64/08/528936408.db2.gz NKUSBWNPWSIBQE-UHFFFAOYSA-N 1 1 322.365 1.547 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736328957 598420725 /nfs/dbraw/zinc/42/07/25/598420725.db2.gz ZMTWTQCFYGRWRP-SNVBAGLBSA-N 1 1 319.369 1.917 20 5 DDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C(C)C ZINC000736536058 598500581 /nfs/dbraw/zinc/50/05/81/598500581.db2.gz AHHZECBYFWKFLI-UHFFFAOYSA-N 1 1 320.357 1.312 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736847531 598797233 /nfs/dbraw/zinc/79/72/33/598797233.db2.gz GQTAKSLIKUUFFT-SNVBAGLBSA-N 1 1 317.353 1.163 20 5 DDBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821241148 606731716 /nfs/dbraw/zinc/73/17/16/606731716.db2.gz KGNQDKJJBORQJO-BXKDBHETSA-N 1 1 317.353 1.527 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063762172 696330624 /nfs/dbraw/zinc/33/06/24/696330624.db2.gz CPQQTHRXSHLORR-UHFFFAOYSA-N 1 1 320.393 1.585 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000194731288 697719466 /nfs/dbraw/zinc/71/94/66/697719466.db2.gz VDNBNMMSYIWDFL-NSHDSACASA-N 1 1 322.321 1.635 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000774205668 697854780 /nfs/dbraw/zinc/85/47/80/697854780.db2.gz ZWYGIBALAYHGBX-JTQLQIEISA-N 1 1 303.322 1.618 20 5 DDBDMO CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000776581634 698120852 /nfs/dbraw/zinc/12/08/52/698120852.db2.gz FQAHGJLKHUBMJI-CVEARBPZSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000776581634 698120854 /nfs/dbraw/zinc/12/08/54/698120854.db2.gz FQAHGJLKHUBMJI-CVEARBPZSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000776581634 698120856 /nfs/dbraw/zinc/12/08/56/698120856.db2.gz FQAHGJLKHUBMJI-CVEARBPZSA-N 1 1 305.378 1.797 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582149 698121088 /nfs/dbraw/zinc/12/10/88/698121088.db2.gz RKFKOZGLDACWKR-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582149 698121090 /nfs/dbraw/zinc/12/10/90/698121090.db2.gz RKFKOZGLDACWKR-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000750066369 700201942 /nfs/dbraw/zinc/20/19/42/700201942.db2.gz ISYXXUOBHMDGHR-CVEARBPZSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000750066369 700201944 /nfs/dbraw/zinc/20/19/44/700201944.db2.gz ISYXXUOBHMDGHR-CVEARBPZSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000750066369 700201947 /nfs/dbraw/zinc/20/19/47/700201947.db2.gz ISYXXUOBHMDGHR-CVEARBPZSA-N 1 1 305.378 1.797 20 5 DDBDMO COc1cccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)c1 ZINC000248252485 698371387 /nfs/dbraw/zinc/37/13/87/698371387.db2.gz QKNPISCLTQTCHQ-MCIONIFRSA-N 1 1 307.350 1.079 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000782524609 698734075 /nfs/dbraw/zinc/73/40/75/698734075.db2.gz OMGPJTVWRLUXRF-ZANVPECISA-N 1 1 311.313 1.375 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000783923321 698892581 /nfs/dbraw/zinc/89/25/81/698892581.db2.gz YCYQHUUJOBDBAJ-JTQLQIEISA-N 1 1 321.333 1.538 20 5 DDBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000714243557 699269738 /nfs/dbraw/zinc/26/97/38/699269738.db2.gz YBWUSNLNMPUSBR-HOMQSWHASA-N 1 1 318.782 1.913 20 5 DDBDMO C[C@H]1[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719624989 699302815 /nfs/dbraw/zinc/30/28/15/699302815.db2.gz NLCCIGVLSLZIMT-IONNQARKSA-N 1 1 315.171 1.679 20 5 DDBDMO C[C@H]1[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000719624989 699302816 /nfs/dbraw/zinc/30/28/16/699302816.db2.gz NLCCIGVLSLZIMT-IONNQARKSA-N 1 1 315.171 1.679 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cn1cc([N+](=O)[O-])cn1 ZINC000795751115 699889398 /nfs/dbraw/zinc/88/93/98/699889398.db2.gz ICJUJTFJHWRDSI-UHFFFAOYSA-N 1 1 307.354 1.796 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802242311 700388905 /nfs/dbraw/zinc/38/89/05/700388905.db2.gz ZMTKUITVRYCHMH-NSHDSACASA-N 1 1 314.317 1.077 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802242311 700388909 /nfs/dbraw/zinc/38/89/09/700388909.db2.gz ZMTKUITVRYCHMH-NSHDSACASA-N 1 1 314.317 1.077 20 5 DDBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116950 701084777 /nfs/dbraw/zinc/08/47/77/701084777.db2.gz OSEKGCIFCAJLBZ-DZGCQCFKSA-N 1 1 316.361 1.851 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839595170 701749317 /nfs/dbraw/zinc/74/93/17/701749317.db2.gz KLXZKYVHNKTIBK-BZUAXINKSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839595170 701749320 /nfs/dbraw/zinc/74/93/20/701749320.db2.gz KLXZKYVHNKTIBK-BZUAXINKSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839595170 701749325 /nfs/dbraw/zinc/74/93/25/701749325.db2.gz KLXZKYVHNKTIBK-BZUAXINKSA-N 1 1 317.389 1.680 20 5 DDBDMO COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665958 701772926 /nfs/dbraw/zinc/77/29/26/701772926.db2.gz JJUMYRBMWKJWQP-GDBMZVCRSA-N 1 1 322.361 1.903 20 5 DDBDMO COCCC[N@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839972708 701884805 /nfs/dbraw/zinc/88/48/05/701884805.db2.gz GOONXQWWHOLFRL-HNNXBMFYSA-N 1 1 323.349 1.458 20 5 DDBDMO COCCC[N@@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839972708 701884810 /nfs/dbraw/zinc/88/48/10/701884810.db2.gz GOONXQWWHOLFRL-HNNXBMFYSA-N 1 1 323.349 1.458 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000868075532 701927464 /nfs/dbraw/zinc/92/74/64/701927464.db2.gz KXLFDLNUDGUOPQ-UKRRQHHQSA-N 1 1 318.377 1.830 20 5 DDBDMO C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840176561 702013517 /nfs/dbraw/zinc/01/35/17/702013517.db2.gz CZCMZESLFIWOPR-CQSZACIVSA-N 1 1 315.377 1.955 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000840226023 702035653 /nfs/dbraw/zinc/03/56/53/702035653.db2.gz SJBHVILSQZGFHA-CYBMUJFWSA-N 1 1 324.381 1.907 20 5 DDBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840403072 702098690 /nfs/dbraw/zinc/09/86/90/702098690.db2.gz CVXISKHOALTKRX-ZIAGYGMSSA-N 1 1 305.378 1.678 20 5 DDBDMO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840403072 702098696 /nfs/dbraw/zinc/09/86/96/702098696.db2.gz CVXISKHOALTKRX-ZIAGYGMSSA-N 1 1 305.378 1.678 20 5 DDBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840403072 702098702 /nfs/dbraw/zinc/09/87/02/702098702.db2.gz CVXISKHOALTKRX-ZIAGYGMSSA-N 1 1 305.378 1.678 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000812344581 702166940 /nfs/dbraw/zinc/16/69/40/702166940.db2.gz VUCXKKFQPJZQBM-NEPJUHHUSA-N 1 1 319.361 1.627 20 5 DDBDMO COc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000840964455 702296309 /nfs/dbraw/zinc/29/63/09/702296309.db2.gz LGBGDKSHLSLBRM-UHFFFAOYSA-N 1 1 314.363 1.270 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000842045981 702663245 /nfs/dbraw/zinc/66/32/45/702663245.db2.gz NYILUWRCWLCHHY-MNOVXSKESA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000842045981 702663246 /nfs/dbraw/zinc/66/32/46/702663246.db2.gz NYILUWRCWLCHHY-MNOVXSKESA-N 1 1 324.337 1.394 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC000843112599 702821291 /nfs/dbraw/zinc/82/12/91/702821291.db2.gz IRMFVOHOFICZPS-GDBMZVCRSA-N 1 1 323.393 1.065 20 5 DDBDMO CC[NH2+]Cc1noc(-c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC000843144950 702828656 /nfs/dbraw/zinc/82/86/56/702828656.db2.gz PKYRSMGKRQLCON-UHFFFAOYSA-N 1 1 306.278 1.541 20 5 DDBDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000848520487 703560623 /nfs/dbraw/zinc/56/06/23/703560623.db2.gz QOUIKTOMIJYDPN-BXKDBHETSA-N 1 1 318.333 1.638 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@]2(O)C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852539507 704071254 /nfs/dbraw/zinc/07/12/54/704071254.db2.gz SHSDDHBAWUUNMA-ZUZCIYMTSA-N 1 1 323.324 1.519 20 5 DDBDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789975 704133014 /nfs/dbraw/zinc/13/30/14/704133014.db2.gz LFZVPOHFWALDKJ-NEPJUHHUSA-N 1 1 310.354 1.597 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000820264840 704248608 /nfs/dbraw/zinc/24/86/08/704248608.db2.gz SNGZPRRJUHAGET-SWLSCSKDSA-N 1 1 321.352 1.829 20 5 DDBDMO Cc1nn(C[N@@H+](C)CC2CN(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853552564 704266650 /nfs/dbraw/zinc/26/66/50/704266650.db2.gz AZMVYTPEQKDJCT-UHFFFAOYSA-N 1 1 303.366 1.704 20 5 DDBDMO Cc1nn(C[N@H+](C)CC2CN(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853552564 704266653 /nfs/dbraw/zinc/26/66/53/704266653.db2.gz AZMVYTPEQKDJCT-UHFFFAOYSA-N 1 1 303.366 1.704 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCCOCC3)CC2)n1 ZINC000853688454 704300023 /nfs/dbraw/zinc/30/00/23/704300023.db2.gz OOKCFAXXVYERKI-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO Nc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000824008732 705354383 /nfs/dbraw/zinc/35/43/83/705354383.db2.gz UPAVQYZJGUNNBW-UHFFFAOYSA-N 1 1 323.353 1.021 20 5 DDBDMO Cc1ccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000825648583 705708654 /nfs/dbraw/zinc/70/86/54/705708654.db2.gz UYDVGOFQVUIFSW-ZDUSSCGKSA-N 1 1 320.393 1.155 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830351 705735271 /nfs/dbraw/zinc/73/52/71/705735271.db2.gz KNQHOVDEIUKUMP-CABCVRRESA-N 1 1 321.377 1.619 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000825895018 705742455 /nfs/dbraw/zinc/74/24/55/705742455.db2.gz AMSTWBDWQLGTEI-AWEZNQCLSA-N 1 1 309.366 1.475 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCN3CCCCC3)C2)c1 ZINC000876901056 705915461 /nfs/dbraw/zinc/91/54/61/705915461.db2.gz XNIKDSJJCKZSDV-UHFFFAOYSA-N 1 1 307.398 1.960 20 5 DDBDMO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])s2)no1)N1CC[NH2+]CC1=O ZINC000863670453 705982222 /nfs/dbraw/zinc/98/22/22/705982222.db2.gz MQMJOPHIFMNFOT-ZETCQYMHSA-N 1 1 323.334 1.199 20 5 DDBDMO CO[C@@H]1CC[C@H](C)N(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000877197340 706014591 /nfs/dbraw/zinc/01/45/91/706014591.db2.gz IEARXBWZMSHOQZ-PEYYIBSZSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000880441028 706977482 /nfs/dbraw/zinc/97/74/82/706977482.db2.gz OHIZDHFCARDRQZ-ZWNOBZJWSA-N 1 1 308.334 1.807 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832866014 706996394 /nfs/dbraw/zinc/99/63/94/706996394.db2.gz PCUXPUDCXYGGFE-IUODEOHRSA-N 1 1 323.393 1.865 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1c([N+](=O)[O-])cnn1C ZINC000837609793 707695114 /nfs/dbraw/zinc/69/51/14/707695114.db2.gz PYUCAOIOIKCZHT-NSHDSACASA-N 1 1 310.354 1.748 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000884825245 708387923 /nfs/dbraw/zinc/38/79/23/708387923.db2.gz NASBFQKWDPKIBS-UHFFFAOYSA-N 1 1 316.361 1.993 20 5 DDBDMO C[N@@H+](CCO)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000884824790 708388139 /nfs/dbraw/zinc/38/81/39/708388139.db2.gz NUKRKOQEDURMMM-UHFFFAOYSA-N 1 1 319.159 1.088 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000885855389 708640364 /nfs/dbraw/zinc/64/03/64/708640364.db2.gz PWCJXTYBNKSKCW-HNNXBMFYSA-N 1 1 319.361 1.578 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)n1 ZINC000886799701 708847235 /nfs/dbraw/zinc/84/72/35/708847235.db2.gz VLBOFNFCCZMHFT-SNVBAGLBSA-N 1 1 308.260 1.038 20 5 DDBDMO COc1cc2c(cc1O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000887105473 708956141 /nfs/dbraw/zinc/95/61/41/708956141.db2.gz XAISRACMIRYJKS-UHFFFAOYSA-N 1 1 318.333 1.564 20 5 DDBDMO COc1cc2c(cc1O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000887105473 708956144 /nfs/dbraw/zinc/95/61/44/708956144.db2.gz XAISRACMIRYJKS-UHFFFAOYSA-N 1 1 318.333 1.564 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900288494 709522855 /nfs/dbraw/zinc/52/28/55/709522855.db2.gz YWTPISDKTGSPJU-HNNXBMFYSA-N 1 1 307.350 1.058 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920932 713125056 /nfs/dbraw/zinc/12/50/56/713125056.db2.gz DQTFYZNDBKTEGC-NSHDSACASA-N 1 1 315.333 1.391 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096534 713129048 /nfs/dbraw/zinc/12/90/48/713129048.db2.gz MVOBRTKUXJWBPO-GXTWGEPZSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096534 713129050 /nfs/dbraw/zinc/12/90/50/713129050.db2.gz MVOBRTKUXJWBPO-GXTWGEPZSA-N 1 1 321.402 1.904 20 5 DDBDMO CC1(C)C[NH+](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC(C)(C)O1 ZINC000893476541 710670859 /nfs/dbraw/zinc/67/08/59/710670859.db2.gz AKQXDIYKWXVLBE-GHMZBOCLSA-N 1 1 300.355 1.084 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000893941961 710894797 /nfs/dbraw/zinc/89/47/97/710894797.db2.gz XULUMRVBBJOEQD-PSASIEDQSA-N 1 1 305.363 1.740 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928556052 713225103 /nfs/dbraw/zinc/22/51/03/713225103.db2.gz RKJGLWUKTORJES-CYBMUJFWSA-N 1 1 305.334 1.378 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928556052 713225105 /nfs/dbraw/zinc/22/51/05/713225105.db2.gz RKJGLWUKTORJES-CYBMUJFWSA-N 1 1 305.334 1.378 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000903208821 711066056 /nfs/dbraw/zinc/06/60/56/711066056.db2.gz ZTGVPCFOQDHCFW-LBPRGKRZSA-N 1 1 311.363 1.064 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000912024919 711128851 /nfs/dbraw/zinc/12/88/51/711128851.db2.gz WEZOVDNTYBHDMO-TXEJJXNPSA-N 1 1 323.397 1.468 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000894591808 711198627 /nfs/dbraw/zinc/19/86/27/711198627.db2.gz WBQXMKYERQHMAD-UHFFFAOYSA-N 1 1 308.382 1.229 20 5 DDBDMO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000895249498 711465626 /nfs/dbraw/zinc/46/56/26/711465626.db2.gz UVQBBJUJDQHKMM-NOZJJQNGSA-N 1 1 314.336 1.919 20 5 DDBDMO Cc1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000895254022 711467782 /nfs/dbraw/zinc/46/77/82/711467782.db2.gz PRMOHXUSBCVJLO-UHFFFAOYSA-N 1 1 307.350 1.764 20 5 DDBDMO Cc1ccc(NCC[N@H+]2CCC3(C2)OCCO3)c([N+](=O)[O-])c1 ZINC000895254022 711467784 /nfs/dbraw/zinc/46/77/84/711467784.db2.gz PRMOHXUSBCVJLO-UHFFFAOYSA-N 1 1 307.350 1.764 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000895444168 711513903 /nfs/dbraw/zinc/51/39/03/711513903.db2.gz RFGFWHZJYRQKMC-NWDGAFQWSA-N 1 1 308.334 1.777 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895708879 711585093 /nfs/dbraw/zinc/58/50/93/711585093.db2.gz WROMTKCVXLZSKZ-MRXNPFEDSA-N 1 1 322.361 1.828 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000895708879 711585096 /nfs/dbraw/zinc/58/50/96/711585096.db2.gz WROMTKCVXLZSKZ-MRXNPFEDSA-N 1 1 322.361 1.828 20 5 DDBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1C ZINC000895735150 711590349 /nfs/dbraw/zinc/59/03/49/711590349.db2.gz VFKUYKZQOAFIRI-IINYFYTJSA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000896203898 711690862 /nfs/dbraw/zinc/69/08/62/711690862.db2.gz AEUOCKGATUCXCF-LBPRGKRZSA-N 1 1 321.377 1.350 20 5 DDBDMO COC(=O)C[C@@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000905710085 712127531 /nfs/dbraw/zinc/12/75/31/712127531.db2.gz GOAUNVWRPFULCH-BXKDBHETSA-N 1 1 310.354 1.497 20 5 DDBDMO COC(=O)C[C@@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000905710085 712127533 /nfs/dbraw/zinc/12/75/33/712127533.db2.gz GOAUNVWRPFULCH-BXKDBHETSA-N 1 1 310.354 1.497 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000905984565 712209440 /nfs/dbraw/zinc/20/94/40/712209440.db2.gz NCNNTYGLVNKZES-OUAUKWLOSA-N 1 1 309.370 1.039 20 5 DDBDMO Cc1[nH]c(C)c(Cn2cc(Br)c([N+](=O)[O-])n2)[nH+]1 ZINC000916747740 713465801 /nfs/dbraw/zinc/46/58/01/713465801.db2.gz NONDAKZGSBWLIL-UHFFFAOYSA-N 1 1 300.116 1.942 20 5 DDBDMO Cc1[nH]c(Cn2cc(Br)c([N+](=O)[O-])n2)c(C)[nH+]1 ZINC000916747740 713465803 /nfs/dbraw/zinc/46/58/03/713465803.db2.gz NONDAKZGSBWLIL-UHFFFAOYSA-N 1 1 300.116 1.942 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000929090337 713543711 /nfs/dbraw/zinc/54/37/11/713543711.db2.gz BDLYBPKHKQYGKA-GWCFXTLKSA-N 1 1 320.349 1.771 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCS1(=O)=O ZINC000930354564 713812471 /nfs/dbraw/zinc/81/24/71/713812471.db2.gz QBEZIWRKULLONV-AWEZNQCLSA-N 1 1 312.391 1.646 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCS1(=O)=O ZINC000930354564 713812469 /nfs/dbraw/zinc/81/24/69/713812469.db2.gz QBEZIWRKULLONV-AWEZNQCLSA-N 1 1 312.391 1.646 20 5 DDBDMO Cc1[nH]c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000930681204 713894311 /nfs/dbraw/zinc/89/43/11/713894311.db2.gz SZNVPLGGQYSVTC-UHFFFAOYSA-N 1 1 316.365 1.652 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000931118451 714006338 /nfs/dbraw/zinc/00/63/38/714006338.db2.gz TVANXVPILZAVAO-ZDUSSCGKSA-N 1 1 323.397 1.336 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931397339 714084239 /nfs/dbraw/zinc/08/42/39/714084239.db2.gz MGTPOFDLVCYROM-ZNMIVQPWSA-N 1 1 321.377 1.113 20 5 DDBDMO C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438997 714098217 /nfs/dbraw/zinc/09/82/17/714098217.db2.gz MGMQUSBUTDCVHD-IJEWVQPXSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438997 714098226 /nfs/dbraw/zinc/09/82/26/714098226.db2.gz MGMQUSBUTDCVHD-IJEWVQPXSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438997 714098230 /nfs/dbraw/zinc/09/82/30/714098230.db2.gz MGMQUSBUTDCVHD-IJEWVQPXSA-N 1 1 305.378 1.512 20 5 DDBDMO O=C(NC1CC[NH+](CC[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000931549913 714125547 /nfs/dbraw/zinc/12/55/47/714125547.db2.gz HJKSBSGWBXZCGP-UHFFFAOYSA-N 1 1 307.350 1.654 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704874 714165715 /nfs/dbraw/zinc/16/57/15/714165715.db2.gz RZYPANHCMONAFE-NVXWUHKLSA-N 1 1 319.405 1.629 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000932072781 714252531 /nfs/dbraw/zinc/25/25/31/714252531.db2.gz ZJUJYOCVVYEWFS-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923369574 714330389 /nfs/dbraw/zinc/33/03/89/714330389.db2.gz KZNCDGMDVNUSMO-DOMZBBRYSA-N 1 1 323.393 1.312 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000934889909 714925106 /nfs/dbraw/zinc/92/51/06/714925106.db2.gz KUJIQDSEROSXDY-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc1Cl ZINC001164664944 719385826 /nfs/dbraw/zinc/38/58/26/719385826.db2.gz DAHCHOGOLPNYCK-MNOVXSKESA-N 1 1 312.757 1.471 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1=CCCCCC1 ZINC001126210794 738637675 /nfs/dbraw/zinc/63/76/75/738637675.db2.gz XQVVJUQLEWXYKO-UHFFFAOYSA-N 1 1 321.381 1.425 20 5 DDBDMO COC(=O)COc1c(C)cc(N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001167281240 732896610 /nfs/dbraw/zinc/89/66/10/732896610.db2.gz POVCZFQIGFGJIO-NSHDSACASA-N 1 1 323.349 1.571 20 5 DDBDMO C[C@H](c1nnc(N2CCC(c3c[nH+]cn3C)CC2)n1C)[N+](=O)[O-] ZINC001121297295 782448434 /nfs/dbraw/zinc/44/84/34/782448434.db2.gz ORCQSNRXUUIHNN-SNVBAGLBSA-N 1 1 319.369 1.270 20 5 DDBDMO O=C(NCC[NH2+]Cc1cc2ccccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932275 742776543 /nfs/dbraw/zinc/77/65/43/742776543.db2.gz POWNISBZKPTTSF-CHWSQXEVSA-N 1 1 303.318 1.304 20 5 DDBDMO Cc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n(C)n1 ZINC001181264856 743130366 /nfs/dbraw/zinc/13/03/66/743130366.db2.gz BHCDSGMJCWVQJC-UHFFFAOYSA-N 1 1 300.322 1.803 20 5 DDBDMO O=C(NC1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788853 743431538 /nfs/dbraw/zinc/43/15/38/743431538.db2.gz PZVKYCLTVKPULN-VXGBXAGGSA-N 1 1 317.336 1.278 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001183270343 743813544 /nfs/dbraw/zinc/81/35/44/743813544.db2.gz SRTXBZCHEKJWTA-UPONEAKYSA-N 1 1 324.255 1.710 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](O)C1)Nc1cc2cccnc2c2ncccc12 ZINC001186049193 744336027 /nfs/dbraw/zinc/33/60/27/744336027.db2.gz QTKSXNWMFVGQOF-ZDUSSCGKSA-N 1 1 322.368 1.788 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1cc2cccnc2c2ncccc12 ZINC001186049193 744336028 /nfs/dbraw/zinc/33/60/28/744336028.db2.gz QTKSXNWMFVGQOF-ZDUSSCGKSA-N 1 1 322.368 1.788 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC001031559210 747034238 /nfs/dbraw/zinc/03/42/38/747034238.db2.gz BBNOATKUBGFMAG-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001198270679 747444422 /nfs/dbraw/zinc/44/44/22/747444422.db2.gz OATGXUPMTANCDT-CJNGLKHVSA-N 1 1 305.378 1.987 20 5 DDBDMO CN(C)c1ccc(NCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001161710592 748478770 /nfs/dbraw/zinc/47/87/70/748478770.db2.gz TWZGDNNWZBBWME-UHFFFAOYSA-N 1 1 321.425 1.710 20 5 DDBDMO CN1CCN(C(=[NH2+])Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC001168737347 748518727 /nfs/dbraw/zinc/51/87/27/748518727.db2.gz YXKYOCFCGYSCEN-UHFFFAOYSA-N 1 1 321.366 1.194 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017583 762198107 /nfs/dbraw/zinc/19/81/07/762198107.db2.gz AQTYZTMBLRVMQE-MELADBBJSA-N 1 1 322.409 1.801 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017583 762198111 /nfs/dbraw/zinc/19/81/11/762198111.db2.gz AQTYZTMBLRVMQE-MELADBBJSA-N 1 1 322.409 1.801 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024542 762201915 /nfs/dbraw/zinc/20/19/15/762201915.db2.gz WWLWBWAIEZAOJF-RWMBFGLXSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169024542 762201920 /nfs/dbraw/zinc/20/19/20/762201920.db2.gz WWLWBWAIEZAOJF-RWMBFGLXSA-N 1 1 323.397 1.289 20 5 DDBDMO CCOCc1ncn2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169025765 762203290 /nfs/dbraw/zinc/20/32/90/762203290.db2.gz UVKOYHBALNIAKV-OLZOCXBDSA-N 1 1 308.382 1.681 20 5 DDBDMO CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169025765 762203295 /nfs/dbraw/zinc/20/32/95/762203295.db2.gz UVKOYHBALNIAKV-OLZOCXBDSA-N 1 1 308.382 1.681 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3cnccn3)C2)C1 ZINC001169053888 762209088 /nfs/dbraw/zinc/20/90/88/762209088.db2.gz JYLIBIAEYKRAEZ-MGPQQGTHSA-N 1 1 306.366 1.765 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000829037760 759864353 /nfs/dbraw/zinc/86/43/53/759864353.db2.gz JFKOHHXKLXJHJS-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO CN(C)C1(CNc2ncc(F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001156177033 761856149 /nfs/dbraw/zinc/85/61/49/761856149.db2.gz YPAMHNKFQGIAJE-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO COCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048630353 769592030 /nfs/dbraw/zinc/59/20/30/769592030.db2.gz BUDNIUYENGOFTR-OKILXGFUSA-N 1 1 319.361 1.131 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001170978557 772004689 /nfs/dbraw/zinc/00/46/89/772004689.db2.gz BDWUNFTWPRBOBO-AXFHLTTASA-N 1 1 320.349 1.671 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093642046 774939691 /nfs/dbraw/zinc/93/96/91/774939691.db2.gz IEBJEVYZRGWXQL-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094008234 775324209 /nfs/dbraw/zinc/32/42/09/775324209.db2.gz IXFGDPNYMVYBQU-UHFFFAOYSA-N 1 1 317.349 1.636 20 5 DDBDMO CNC(=O)N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232392 777063647 /nfs/dbraw/zinc/06/36/47/777063647.db2.gz QWLOCNLWRRSNND-GFCCVEGCSA-N 1 1 306.366 1.483 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC001101756590 777479455 /nfs/dbraw/zinc/47/94/55/777479455.db2.gz FNDSMNOSNAOSQM-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860600 779215019 /nfs/dbraw/zinc/21/50/19/779215019.db2.gz GFNDWRYQWJKZDM-NSHDSACASA-N 1 1 308.338 1.156 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@H](O)C3(CC3)C1)OCCO2 ZINC001116696702 780545271 /nfs/dbraw/zinc/54/52/71/780545271.db2.gz RNBCSLYMGPHZJY-AWEZNQCLSA-N 1 1 306.318 1.323 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@H](O)C3(CC3)C1)OCCO2 ZINC001116696702 780545282 /nfs/dbraw/zinc/54/52/82/780545282.db2.gz RNBCSLYMGPHZJY-AWEZNQCLSA-N 1 1 306.318 1.323 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816078 780904421 /nfs/dbraw/zinc/90/44/21/780904421.db2.gz QNDUSXVZRVVHMI-JSGCOSHPSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816078 780904427 /nfs/dbraw/zinc/90/44/27/780904427.db2.gz QNDUSXVZRVVHMI-JSGCOSHPSA-N 1 1 307.350 1.181 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001119450845 781458440 /nfs/dbraw/zinc/45/84/40/781458440.db2.gz YYYKXEORJGUMPI-AWEZNQCLSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001274014631 851851272 /nfs/dbraw/zinc/85/12/72/851851272.db2.gz BAFVQJRIQLNMHE-KXAWDHGWSA-N 1 1 321.352 1.561 20 5 DDBDMO Cc1ncc([N+](=O)[O-])c(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001156182475 862787943 /nfs/dbraw/zinc/78/79/43/862787943.db2.gz VHYPFXIJSLYSAJ-UHFFFAOYSA-N 1 1 308.386 1.131 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH]c(C)[nH+]c1C ZINC001156221395 862835458 /nfs/dbraw/zinc/83/54/58/862835458.db2.gz NOTLQADCDWUBGJ-UHFFFAOYSA-N 1 1 304.306 1.873 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123879895 859452387 /nfs/dbraw/zinc/45/23/87/859452387.db2.gz JVSVCNQCEQGZSZ-BXUZGUMPSA-N 1 1 318.377 1.538 20 5 DDBDMO COc1nc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160722698 866069074 /nfs/dbraw/zinc/06/90/74/866069074.db2.gz IDZJJQQQALMZNO-RYUDHWBXSA-N 1 1 322.365 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)CC2 ZINC001334613743 867710954 /nfs/dbraw/zinc/71/09/54/867710954.db2.gz JGWGQTPHQHFIPT-BPUTZDHNSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)CC2 ZINC001334613743 867710967 /nfs/dbraw/zinc/71/09/67/867710967.db2.gz JGWGQTPHQHFIPT-BPUTZDHNSA-N 1 1 304.346 1.757 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[NH+]1CC=CC1 ZINC001335496810 868343379 /nfs/dbraw/zinc/34/33/79/868343379.db2.gz BPAZCJDGVKDNSO-UHFFFAOYSA-N 1 1 305.260 1.631 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C1 ZINC001165147395 869408062 /nfs/dbraw/zinc/40/80/62/869408062.db2.gz IWTDPYCZDHPWAM-KNVOCYPGSA-N 1 1 318.164 1.689 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC001304042933 871181030 /nfs/dbraw/zinc/18/10/30/871181030.db2.gz PDXVASBSPYWUHN-NSHDSACASA-N 1 1 307.354 1.032 20 5 DDBDMO Cc1[nH+]ccn1CCCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001307404920 871434106 /nfs/dbraw/zinc/43/41/06/871434106.db2.gz RMKSLFMJKPBBTN-UHFFFAOYSA-N 1 1 313.321 1.844 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001205555931 871628197 /nfs/dbraw/zinc/62/81/97/871628197.db2.gz YKLVIOFQBPOHLL-HNNXBMFYSA-N 1 1 323.349 1.267 20 5 DDBDMO C[NH+]1CCN(c2ncc(Nc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC001206144164 872086705 /nfs/dbraw/zinc/08/67/05/872086705.db2.gz GALMMUXUPDSHJC-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC001346118692 873616538 /nfs/dbraw/zinc/61/65/38/873616538.db2.gz WBIOQVOWTQMOKU-ZDUSSCGKSA-N 1 1 306.318 1.338 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC001346118692 873616545 /nfs/dbraw/zinc/61/65/45/873616545.db2.gz WBIOQVOWTQMOKU-ZDUSSCGKSA-N 1 1 306.318 1.338 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001347539439 874178579 /nfs/dbraw/zinc/17/85/79/874178579.db2.gz KYJTWLVQHSFMKV-TVYUQYBPSA-N 1 1 307.325 1.804 20 5 DDBDMO Nc1cc(N2CC[NH+](Cc3cccs3)CC2)ncc1[N+](=O)[O-] ZINC001347865674 874294006 /nfs/dbraw/zinc/29/40/06/874294006.db2.gz HGLWBRJRTBSIIB-UHFFFAOYSA-N 1 1 319.390 1.956 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001350914984 875955421 /nfs/dbraw/zinc/95/54/21/875955421.db2.gz GAVKBMRVNSFFIJ-BHYNMZESSA-N 1 1 307.325 1.804 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC001356545362 879096475 /nfs/dbraw/zinc/09/64/75/879096475.db2.gz VGMZZDQACBIUTJ-HNNXBMFYSA-N 1 1 317.349 1.735 20 5 DDBDMO C[N@@H+]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228602607 883567848 /nfs/dbraw/zinc/56/78/48/883567848.db2.gz CTZMOUBNRQHSCX-SNVBAGLBSA-N 1 1 308.338 1.831 20 5 DDBDMO C[N@H+]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228602607 883567856 /nfs/dbraw/zinc/56/78/56/883567856.db2.gz CTZMOUBNRQHSCX-SNVBAGLBSA-N 1 1 308.338 1.831 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234907425 888242987 /nfs/dbraw/zinc/24/29/87/888242987.db2.gz AZSPVCCSEKPBKK-JTQLQIEISA-N 1 1 309.326 1.125 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[NH2+]C[C@H]3F)CC2)cc1 ZINC001246085802 892409446 /nfs/dbraw/zinc/40/94/46/892409446.db2.gz IZMYRNDSEVCMNT-HZPDHXFCSA-N 1 1 322.384 1.853 20 5 DDBDMO COC(=O)[C@]1(F)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596395 896521683 /nfs/dbraw/zinc/52/16/83/896521683.db2.gz CXYQEQFQJWGSPV-HIFRSBDPSA-N 1 1 308.309 1.649 20 5 DDBDMO COC(=O)[C@]1(F)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596395 896521701 /nfs/dbraw/zinc/52/17/01/896521701.db2.gz CXYQEQFQJWGSPV-HIFRSBDPSA-N 1 1 308.309 1.649 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599695 896523885 /nfs/dbraw/zinc/52/38/85/896523885.db2.gz PAFWHLFEUPVTHR-DOMZBBRYSA-N 1 1 304.346 1.947 20 5 DDBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001293397079 914452281 /nfs/dbraw/zinc/45/22/81/914452281.db2.gz ZEVRZNTWMGWPFZ-GFCCVEGCSA-N 1 1 306.366 1.194 20 5 DDBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC001293397079 914452290 /nfs/dbraw/zinc/45/22/90/914452290.db2.gz ZEVRZNTWMGWPFZ-GFCCVEGCSA-N 1 1 306.366 1.194 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000278782533 214397557 /nfs/dbraw/zinc/39/75/57/214397557.db2.gz ZOSNGZHYEMDSMY-UHFFFAOYSA-N 1 1 319.340 1.790 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc([N+](=O)[O-])c1 ZINC000452346740 231354264 /nfs/dbraw/zinc/35/42/64/231354264.db2.gz HGJYUROXNWEBRQ-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452366035 231362625 /nfs/dbraw/zinc/36/26/25/231362625.db2.gz OGUDFUXMQMJROY-OAHLLOKOSA-N 1 1 321.377 1.100 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000299455274 529784005 /nfs/dbraw/zinc/78/40/05/529784005.db2.gz VFAFJPDOBZYZEZ-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000299455274 529784007 /nfs/dbraw/zinc/78/40/07/529784007.db2.gz VFAFJPDOBZYZEZ-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000181644499 199332037 /nfs/dbraw/zinc/33/20/37/199332037.db2.gz MKFVNZSTJWOKKL-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(=O)c1cc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000286703001 219119100 /nfs/dbraw/zinc/11/91/00/219119100.db2.gz OMWZAGDWFFWJPH-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CC(=O)c1cc(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000286703001 219119102 /nfs/dbraw/zinc/11/91/02/219119102.db2.gz OMWZAGDWFFWJPH-UHFFFAOYSA-N 1 1 307.350 1.932 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301962658 529930425 /nfs/dbraw/zinc/93/04/25/529930425.db2.gz ISAIONUFMVYBHA-LBPRGKRZSA-N 1 1 318.381 1.948 20 5 DDBDMO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000272865336 282318828 /nfs/dbraw/zinc/31/88/28/282318828.db2.gz RKKRNKQAOPRSJB-ZETCQYMHSA-N 1 1 307.397 1.422 20 5 DDBDMO C[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331330766 530071901 /nfs/dbraw/zinc/07/19/01/530071901.db2.gz HKOSICTXLRDSCY-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331330766 530071902 /nfs/dbraw/zinc/07/19/02/530071902.db2.gz HKOSICTXLRDSCY-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000331330766 530071903 /nfs/dbraw/zinc/07/19/03/530071903.db2.gz HKOSICTXLRDSCY-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279816731 215171424 /nfs/dbraw/zinc/17/14/24/215171424.db2.gz QGCHQCSPVKMDHY-GXFFZTMASA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279816731 215171428 /nfs/dbraw/zinc/17/14/28/215171428.db2.gz QGCHQCSPVKMDHY-GXFFZTMASA-N 1 1 307.350 1.625 20 5 DDBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279920722 215238406 /nfs/dbraw/zinc/23/84/06/215238406.db2.gz WFHAJKWTPJWENC-CYBMUJFWSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC000186028079 186232730 /nfs/dbraw/zinc/23/27/30/186232730.db2.gz FDRIGWMPQXFEKI-UHFFFAOYSA-N 1 1 320.271 1.635 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000264255899 186329248 /nfs/dbraw/zinc/32/92/48/186329248.db2.gz OHUIZPSXSIRCLM-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nccs1 ZINC000564845223 304019123 /nfs/dbraw/zinc/01/91/23/304019123.db2.gz RYRXBHSDKKJLSJ-SNVBAGLBSA-N 1 1 309.347 1.581 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cnccn3)CC2)cn1 ZINC000601253293 358464536 /nfs/dbraw/zinc/46/45/36/358464536.db2.gz KBADRRCPRATGGH-UHFFFAOYSA-N 1 1 314.349 1.145 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000172163788 198049612 /nfs/dbraw/zinc/04/96/12/198049612.db2.gz VXRMJCCSSMJFBA-LLVKDONJSA-N 1 1 323.397 1.875 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000025136916 352194403 /nfs/dbraw/zinc/19/44/03/352194403.db2.gz JMYBLZLOLAMIMI-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047143872 352482766 /nfs/dbraw/zinc/48/27/66/352482766.db2.gz ZWMQUKYXECALPP-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000060792462 352879918 /nfs/dbraw/zinc/87/99/18/352879918.db2.gz WMUQOSNHKKFNMV-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO NC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065534654 352954122 /nfs/dbraw/zinc/95/41/22/352954122.db2.gz JYGPGONEWTYMRG-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000067298897 353043210 /nfs/dbraw/zinc/04/32/10/353043210.db2.gz TZVIWXBLLWFCBM-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CO)o2)cc1 ZINC000072609948 353204432 /nfs/dbraw/zinc/20/44/32/353204432.db2.gz JYWNFYRVJQDSAI-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CO)o2)cc1 ZINC000072609948 353204435 /nfs/dbraw/zinc/20/44/35/353204435.db2.gz JYWNFYRVJQDSAI-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093342409 353896522 /nfs/dbraw/zinc/89/65/22/353896522.db2.gz VJXIKCWAOIZXTL-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236779266 202004128 /nfs/dbraw/zinc/00/41/28/202004128.db2.gz FSEFYYMFRVFYBL-LBPRGKRZSA-N 1 1 319.365 1.917 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000154096058 354204015 /nfs/dbraw/zinc/20/40/15/354204015.db2.gz JRFRQYNEBRWGSR-CQSZACIVSA-N 1 1 306.366 1.710 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000154096058 354204021 /nfs/dbraw/zinc/20/40/21/354204021.db2.gz JRFRQYNEBRWGSR-CQSZACIVSA-N 1 1 306.366 1.710 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357244416 291030123 /nfs/dbraw/zinc/03/01/23/291030123.db2.gz ZZUAFFIVDWGYHY-PHIMTYICSA-N 1 1 321.381 1.764 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310472 358490349 /nfs/dbraw/zinc/49/03/49/358490349.db2.gz PMJFASSNPBLPCY-CABZTGNLSA-N 1 1 307.325 1.946 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC[N@@H+](C)C2CC2)c1 ZINC000589516369 354998698 /nfs/dbraw/zinc/99/86/98/354998698.db2.gz QMHKXWVKLQSLEI-UHFFFAOYSA-N 1 1 321.377 1.907 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590011325 355040314 /nfs/dbraw/zinc/04/03/14/355040314.db2.gz HYVXHWXAYNKYOL-WFASDCNBSA-N 1 1 318.377 1.478 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000590573514 355117722 /nfs/dbraw/zinc/11/77/22/355117722.db2.gz ZOGOEAPMODYPDR-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147598 355255133 /nfs/dbraw/zinc/25/51/33/355255133.db2.gz STIJRALQIWJLHN-NSHDSACASA-N 1 1 323.372 1.709 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000591147598 355255135 /nfs/dbraw/zinc/25/51/35/355255135.db2.gz STIJRALQIWJLHN-NSHDSACASA-N 1 1 323.372 1.709 20 5 DDBDMO CC1(C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000591475981 355320364 /nfs/dbraw/zinc/32/03/64/355320364.db2.gz MUVPKOPVXLVLOA-HNNXBMFYSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565159467 304047884 /nfs/dbraw/zinc/04/78/84/304047884.db2.gz YVFNQMVCYPTKCR-MRXNPFEDSA-N 1 1 307.394 1.872 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1 ZINC000593024742 355772524 /nfs/dbraw/zinc/77/25/24/355772524.db2.gz LOCXTLDBABTFBF-QMTHXVAHSA-N 1 1 308.334 1.584 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593100114 355796412 /nfs/dbraw/zinc/79/64/12/355796412.db2.gz CYJCOOKSANJNCT-UTWWPYJBSA-N 1 1 323.374 1.129 20 5 DDBDMO C[C@H](CCO)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593108004 355800004 /nfs/dbraw/zinc/80/00/04/355800004.db2.gz SRQCSIQKBUJKLE-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593108004 355800007 /nfs/dbraw/zinc/80/00/07/355800007.db2.gz SRQCSIQKBUJKLE-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593108009 355800046 /nfs/dbraw/zinc/80/00/46/355800046.db2.gz STKPXDNRAJWSEI-LLVKDONJSA-N 1 1 309.366 1.935 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000593992742 356081443 /nfs/dbraw/zinc/08/14/43/356081443.db2.gz BTEYSBPWTYHUMN-GFCCVEGCSA-N 1 1 321.381 1.065 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027790 356093825 /nfs/dbraw/zinc/09/38/25/356093825.db2.gz ZVFYKPXMTXZKLD-DZGCQCFKSA-N 1 1 324.381 1.186 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594057375 356102556 /nfs/dbraw/zinc/10/25/56/356102556.db2.gz ZQZJXEAQYOXZMR-NWDGAFQWSA-N 1 1 320.349 1.186 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418563 356203968 /nfs/dbraw/zinc/20/39/68/356203968.db2.gz KDZXQNSEIRHDJO-NWDGAFQWSA-N 1 1 321.381 1.627 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505799 356522759 /nfs/dbraw/zinc/52/27/59/356522759.db2.gz YNVNPIZHEWIAQG-INIZCTEOSA-N 1 1 320.393 1.174 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601339432 358506393 /nfs/dbraw/zinc/50/63/93/358506393.db2.gz XSFGBFTYKZTQKL-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862323 356681876 /nfs/dbraw/zinc/68/18/76/356681876.db2.gz ABRWVQKIENSLEF-HNNXBMFYSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC000595868026 356684562 /nfs/dbraw/zinc/68/45/62/356684562.db2.gz QQFNKWFOHMKRBG-ZDUSSCGKSA-N 1 1 312.276 1.393 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000276929791 213183036 /nfs/dbraw/zinc/18/30/36/213183036.db2.gz QRGANFWWAHQVPT-ZDUSSCGKSA-N 1 1 321.377 1.952 20 5 DDBDMO Cc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595923684 356706041 /nfs/dbraw/zinc/70/60/41/356706041.db2.gz AWZRCFXZVCOOTK-SNVBAGLBSA-N 1 1 315.333 1.956 20 5 DDBDMO COCCC1C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597183637 357087194 /nfs/dbraw/zinc/08/71/94/357087194.db2.gz ONKCFRAYAOWSTM-UHFFFAOYSA-N 1 1 308.334 1.834 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597925760 357384392 /nfs/dbraw/zinc/38/43/92/357384392.db2.gz QYUIJRXBWYBCQS-LBPRGKRZSA-N 1 1 320.393 1.996 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598595180 357646359 /nfs/dbraw/zinc/64/63/59/357646359.db2.gz GUVMBIIUJKWFGM-LLVKDONJSA-N 1 1 320.349 1.673 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647153 357668847 /nfs/dbraw/zinc/66/88/47/357668847.db2.gz CEBZUTZWMUNWBW-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647153 357668853 /nfs/dbraw/zinc/66/88/53/357668853.db2.gz CEBZUTZWMUNWBW-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648778 357670363 /nfs/dbraw/zinc/67/03/63/357670363.db2.gz HGEAZGKGYOHXAO-STQMWFEESA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648778 357670367 /nfs/dbraw/zinc/67/03/67/357670367.db2.gz HGEAZGKGYOHXAO-STQMWFEESA-N 1 1 321.377 1.508 20 5 DDBDMO COc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccn1 ZINC000347789945 283277937 /nfs/dbraw/zinc/27/79/37/283277937.db2.gz FDARIJRJKQZZOY-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccn1 ZINC000347789945 283277940 /nfs/dbraw/zinc/27/79/40/283277940.db2.gz FDARIJRJKQZZOY-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH+]2CCOCC2)CC1 ZINC000599101805 357815555 /nfs/dbraw/zinc/81/55/55/357815555.db2.gz CBIZROJHCHFIEV-UHFFFAOYSA-N 1 1 323.397 1.421 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000599137645 357826627 /nfs/dbraw/zinc/82/66/27/357826627.db2.gz ARVKLQWEIGQFLR-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO CC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000599160225 357833771 /nfs/dbraw/zinc/83/37/71/357833771.db2.gz KJPADZCUDQHVOJ-UHFFFAOYSA-N 1 1 312.395 1.742 20 5 DDBDMO Cn1cc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000599263466 357867013 /nfs/dbraw/zinc/86/70/13/357867013.db2.gz PFUGNRFDBOHFDN-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000179410118 199030866 /nfs/dbraw/zinc/03/08/66/199030866.db2.gz BEJSEYNPVOMKQX-UHFFFAOYSA-N 1 1 311.338 1.180 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000179410118 199030868 /nfs/dbraw/zinc/03/08/68/199030868.db2.gz BEJSEYNPVOMKQX-UHFFFAOYSA-N 1 1 311.338 1.180 20 5 DDBDMO C[N@@H+](C[C@H]1C[C@@H](O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599654772 358009309 /nfs/dbraw/zinc/00/93/09/358009309.db2.gz IJQHMVZECFKJPO-BYCMXARLSA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600472136 358233587 /nfs/dbraw/zinc/23/35/87/358233587.db2.gz MXUHJTDEHMEEEZ-ZDUSSCGKSA-N 1 1 321.381 1.233 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000180756751 199205631 /nfs/dbraw/zinc/20/56/31/199205631.db2.gz YRIOIEZEGNSDJR-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[N@H+]1C ZINC000601006017 358379564 /nfs/dbraw/zinc/37/95/64/358379564.db2.gz QXAWGGAWOBISPH-UONOGXRCSA-N 1 1 321.377 1.950 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000348109424 283372871 /nfs/dbraw/zinc/37/28/71/283372871.db2.gz VLXMWIGSXGNZTM-WDEREUQCSA-N 1 1 304.354 1.556 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](CO)[C@H]3CCOC3)c2c1 ZINC000601159135 358427210 /nfs/dbraw/zinc/42/72/10/358427210.db2.gz HRMJCTSXDCRKGS-RYUDHWBXSA-N 1 1 317.345 1.622 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000601172048 358432418 /nfs/dbraw/zinc/43/24/18/358432418.db2.gz VCJUUUOJLWONSJ-SFYZADRCSA-N 1 1 319.287 1.487 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000601972937 358760256 /nfs/dbraw/zinc/76/02/56/358760256.db2.gz ARVGDUGOLBDSDY-TXEJJXNPSA-N 1 1 308.334 1.690 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669473 359115428 /nfs/dbraw/zinc/11/54/28/359115428.db2.gz XOAODBILAHYYAQ-QWHCGFSZSA-N 1 1 308.382 1.967 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000602822491 359217101 /nfs/dbraw/zinc/21/71/01/359217101.db2.gz QWLKPUJFICRQHA-CQSZACIVSA-N 1 1 317.349 1.648 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000602951373 359317604 /nfs/dbraw/zinc/31/76/04/359317604.db2.gz JAIATILNGJUXIF-WCQYABFASA-N 1 1 319.365 1.278 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000618467676 363642733 /nfs/dbraw/zinc/64/27/33/363642733.db2.gz PFKXCJSWCJEBBJ-DGCLKSJQSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000618467676 363642735 /nfs/dbraw/zinc/64/27/35/363642735.db2.gz PFKXCJSWCJEBBJ-DGCLKSJQSA-N 1 1 307.350 1.352 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602952566 359318717 /nfs/dbraw/zinc/31/87/17/359318717.db2.gz NPJYSFWTXFODPX-RYUDHWBXSA-N 1 1 321.381 1.667 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602959527 359322399 /nfs/dbraw/zinc/32/23/99/359322399.db2.gz VYDQUDVRAHDBDX-NEPJUHHUSA-N 1 1 319.365 1.421 20 5 DDBDMO CO[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602963635 359326154 /nfs/dbraw/zinc/32/61/54/359326154.db2.gz HPSSJNDNLGQSAH-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)c1 ZINC000603165172 359449665 /nfs/dbraw/zinc/44/96/65/359449665.db2.gz VKOIGJMHZDKRBZ-HNNXBMFYSA-N 1 1 317.349 1.191 20 5 DDBDMO O=[N+]([O-])c1cccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)c1 ZINC000603165172 359449669 /nfs/dbraw/zinc/44/96/69/359449669.db2.gz VKOIGJMHZDKRBZ-HNNXBMFYSA-N 1 1 317.349 1.191 20 5 DDBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000603407691 359621927 /nfs/dbraw/zinc/62/19/27/359621927.db2.gz SPOXAQZFCVGVCK-QWHCGFSZSA-N 1 1 306.366 1.901 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCCCCC1 ZINC000187342037 200098268 /nfs/dbraw/zinc/09/82/68/200098268.db2.gz VUGZITRFHHXZFO-UHFFFAOYSA-N 1 1 323.393 1.774 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000281072520 216060666 /nfs/dbraw/zinc/06/06/66/216060666.db2.gz AQDHWBWORIBIPL-SNVBAGLBSA-N 1 1 308.338 1.671 20 5 DDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000604198012 359725641 /nfs/dbraw/zinc/72/56/41/359725641.db2.gz DHWMFJWOTHPDPI-GFCCVEGCSA-N 1 1 321.333 1.205 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278145 359732423 /nfs/dbraw/zinc/73/24/23/359732423.db2.gz KGUGSKGNCCMWEQ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278145 359732424 /nfs/dbraw/zinc/73/24/24/359732424.db2.gz KGUGSKGNCCMWEQ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO COC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189406207 200396119 /nfs/dbraw/zinc/39/61/19/200396119.db2.gz CQHZVXHKBKFNJB-IUODEOHRSA-N 1 1 310.350 1.709 20 5 DDBDMO COC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000189406207 200396121 /nfs/dbraw/zinc/39/61/21/200396121.db2.gz CQHZVXHKBKFNJB-IUODEOHRSA-N 1 1 310.350 1.709 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000609573095 360327550 /nfs/dbraw/zinc/32/75/50/360327550.db2.gz CBTKGDHCPMWKPE-UHFFFAOYSA-N 1 1 324.406 1.443 20 5 DDBDMO Cc1ccc(NCCCNC(=O)[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000610069333 360377858 /nfs/dbraw/zinc/37/78/58/360377858.db2.gz LOVBDWGOQAHPGN-ZDUSSCGKSA-N 1 1 320.393 1.773 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359027172 299311147 /nfs/dbraw/zinc/31/11/47/299311147.db2.gz NAHPDXIYIUGYBF-QWRGUYRKSA-N 1 1 307.354 1.358 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611088489 360620232 /nfs/dbraw/zinc/62/02/32/360620232.db2.gz ZGJLAAPFXSAASL-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611088489 360620234 /nfs/dbraw/zinc/62/02/34/360620234.db2.gz ZGJLAAPFXSAASL-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[C@@H]1O ZINC000611285737 360690353 /nfs/dbraw/zinc/69/03/53/360690353.db2.gz KBFKHTJTMBTQGS-RISCZKNCSA-N 1 1 322.361 1.959 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000612059422 360904536 /nfs/dbraw/zinc/90/45/36/360904536.db2.gz RSACOTZNVOHBFT-ZIAGYGMSSA-N 1 1 324.377 1.693 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000281357589 216247344 /nfs/dbraw/zinc/24/73/44/216247344.db2.gz ZYHYKALFETVRHJ-HNNXBMFYSA-N 1 1 318.333 1.694 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193633894 201091408 /nfs/dbraw/zinc/09/14/08/201091408.db2.gz JMJVIXQRGVJDHE-NHYWBVRUSA-N 1 1 321.377 1.996 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252436 363945724 /nfs/dbraw/zinc/94/57/24/363945724.db2.gz LLOSIYFJQIKRRX-GJZGRUSLSA-N 1 1 321.352 1.782 20 5 DDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000261628183 203082637 /nfs/dbraw/zinc/08/26/37/203082637.db2.gz AQPKFHNTJBFGGT-JTQLQIEISA-N 1 1 321.362 1.177 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000266156420 205142882 /nfs/dbraw/zinc/14/28/82/205142882.db2.gz SAHFPRLTYOWRPY-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])cnc2N)[nH+]1 ZINC000351557873 284377760 /nfs/dbraw/zinc/37/77/60/284377760.db2.gz LGAZTBGIORUXIY-UHFFFAOYSA-N 1 1 316.321 1.117 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000332693283 248894034 /nfs/dbraw/zinc/89/40/34/248894034.db2.gz KTXXPPULRSOSED-NSHDSACASA-N 1 1 309.370 1.051 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000336862215 249269856 /nfs/dbraw/zinc/26/98/56/249269856.db2.gz HPFDGBWIUVHNRN-SECBINFHSA-N 1 1 308.313 1.283 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273934810 211187953 /nfs/dbraw/zinc/18/79/53/211187953.db2.gz KZEMGUSHBRJFLQ-TXEJJXNPSA-N 1 1 309.370 1.686 20 5 DDBDMO CN1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000338954301 250216498 /nfs/dbraw/zinc/21/64/98/250216498.db2.gz MVOZSSZAMLNPSK-VIFPVBQESA-N 1 1 315.276 1.517 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000285020509 218258695 /nfs/dbraw/zinc/25/86/95/218258695.db2.gz ZCFHCPNTCCCPCM-ZACQAIPSSA-N 1 1 320.389 1.999 20 5 DDBDMO CC(C)OC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567578619 304226608 /nfs/dbraw/zinc/22/66/08/304226608.db2.gz LCUAZSOVMDGALK-UHFFFAOYSA-N 1 1 322.365 1.454 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341025446 251345118 /nfs/dbraw/zinc/34/51/18/251345118.db2.gz JCNSXHOKDYJJTC-TZMCWYRMSA-N 1 1 320.393 1.919 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000341054692 251357134 /nfs/dbraw/zinc/35/71/34/251357134.db2.gz SKFHUYXUYLWTOX-UHFFFAOYSA-N 1 1 301.416 1.371 20 5 DDBDMO CN(CCCN(C)c1ncc([N+](=O)[O-])s1)CC[NH+](C)C ZINC000341054692 251357137 /nfs/dbraw/zinc/35/71/37/251357137.db2.gz SKFHUYXUYLWTOX-UHFFFAOYSA-N 1 1 301.416 1.371 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352425674 285041741 /nfs/dbraw/zinc/04/17/41/285041741.db2.gz MORRKXVFAZCYDC-AWEZNQCLSA-N 1 1 321.377 1.952 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@]1(C)CO ZINC000567970558 304256766 /nfs/dbraw/zinc/25/67/66/304256766.db2.gz ICJWDIAWSILKOG-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@]1(C)CO ZINC000567970558 304256768 /nfs/dbraw/zinc/25/67/68/304256768.db2.gz ICJWDIAWSILKOG-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000157647624 197204516 /nfs/dbraw/zinc/20/45/16/197204516.db2.gz YRNOMQDDUCANHX-KWQFWETISA-N 1 1 303.322 1.328 20 5 DDBDMO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000414778116 224392807 /nfs/dbraw/zinc/39/28/07/224392807.db2.gz GDDRGBDVKCXDGX-CVEARBPZSA-N 1 1 305.378 1.923 20 5 DDBDMO [NH3+]C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414796995 224396535 /nfs/dbraw/zinc/39/65/35/224396535.db2.gz YMTPBLMFGVCPLT-AWEZNQCLSA-N 1 1 305.378 1.782 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444348972 533399742 /nfs/dbraw/zinc/39/97/42/533399742.db2.gz CPIADANUQANLFB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444348972 533399750 /nfs/dbraw/zinc/39/97/50/533399750.db2.gz CPIADANUQANLFB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000569453280 304355145 /nfs/dbraw/zinc/35/51/45/304355145.db2.gz UVMIDDYHOWZRER-BPLDGKMQSA-N 1 1 324.381 1.043 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000068775377 406663289 /nfs/dbraw/zinc/66/32/89/406663289.db2.gz KAWJSZWKMDZUOZ-UHFFFAOYSA-N 1 1 323.397 1.433 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)CC1 ZINC000071955887 406869906 /nfs/dbraw/zinc/86/99/06/406869906.db2.gz BFUSLIQCKUQGRC-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000076299729 406962404 /nfs/dbraw/zinc/96/24/04/406962404.db2.gz JACNUHYUQQGZNZ-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000076299729 406962405 /nfs/dbraw/zinc/96/24/05/406962405.db2.gz JACNUHYUQQGZNZ-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CC(C)[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066498404 407251834 /nfs/dbraw/zinc/25/18/34/407251834.db2.gz ABKXUSBYBPXQNZ-HNNXBMFYSA-N 1 1 321.377 1.820 20 5 DDBDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066498404 407251836 /nfs/dbraw/zinc/25/18/36/407251836.db2.gz ABKXUSBYBPXQNZ-HNNXBMFYSA-N 1 1 321.377 1.820 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102332212 407321701 /nfs/dbraw/zinc/32/17/01/407321701.db2.gz VQGWXXKMWYQUGJ-LBPRGKRZSA-N 1 1 323.397 1.517 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000123246325 407323902 /nfs/dbraw/zinc/32/39/02/407323902.db2.gz WHTUENXVUYFUOZ-VXGBXAGGSA-N 1 1 323.397 1.468 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000067709386 407281785 /nfs/dbraw/zinc/28/17/85/407281785.db2.gz MQWUQHRQYJEQOQ-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124919844 407374147 /nfs/dbraw/zinc/37/41/47/407374147.db2.gz SCJZIDPGACAHQQ-HNNXBMFYSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124919844 407374148 /nfs/dbraw/zinc/37/41/48/407374148.db2.gz SCJZIDPGACAHQQ-HNNXBMFYSA-N 1 1 307.350 1.404 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000107887212 407381275 /nfs/dbraw/zinc/38/12/75/407381275.db2.gz QGOROFAZHSPSAT-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO CC[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000107887212 407381276 /nfs/dbraw/zinc/38/12/76/407381276.db2.gz QGOROFAZHSPSAT-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000107887212 407381277 /nfs/dbraw/zinc/38/12/77/407381277.db2.gz QGOROFAZHSPSAT-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000126236859 407409132 /nfs/dbraw/zinc/40/91/32/407409132.db2.gz UMQOGJQANOALJJ-WDEREUQCSA-N 1 1 323.397 1.487 20 5 DDBDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112599424 407433480 /nfs/dbraw/zinc/43/34/80/407433480.db2.gz TVRNALKHOCTFHZ-UHFFFAOYSA-N 1 1 323.393 1.924 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185765671 407497487 /nfs/dbraw/zinc/49/74/87/407497487.db2.gz WVRYESJCWQQFMA-OUKQBFOZSA-N 1 1 321.377 1.693 20 5 DDBDMO COC[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266543047 407551993 /nfs/dbraw/zinc/55/19/93/407551993.db2.gz QWAWGEZLDOUFMY-LBPRGKRZSA-N 1 1 310.350 1.951 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178759863 407590371 /nfs/dbraw/zinc/59/03/71/407590371.db2.gz HBZNDXINLIZGQR-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266881638 407660227 /nfs/dbraw/zinc/66/02/27/407660227.db2.gz XNZZCELUIMIMLW-GFCCVEGCSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000266881638 407660235 /nfs/dbraw/zinc/66/02/35/407660235.db2.gz XNZZCELUIMIMLW-GFCCVEGCSA-N 1 1 320.267 1.973 20 5 DDBDMO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267065276 407736673 /nfs/dbraw/zinc/73/66/73/407736673.db2.gz UTBBMKBCUNPPJH-UHFFFAOYSA-N 1 1 311.357 1.888 20 5 DDBDMO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187129166 407820550 /nfs/dbraw/zinc/82/05/50/407820550.db2.gz WMZXDRJGAZQYTH-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187129166 407820555 /nfs/dbraw/zinc/82/05/55/407820555.db2.gz WMZXDRJGAZQYTH-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173399873 407878181 /nfs/dbraw/zinc/87/81/81/407878181.db2.gz VAEBQHUEWHQDFD-KGLIPLIRSA-N 1 1 306.410 1.881 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268245213 407967614 /nfs/dbraw/zinc/96/76/14/407967614.db2.gz VYBAKZSZCWKZTC-JOYOIKCWSA-N 1 1 321.381 1.483 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272551636 407978103 /nfs/dbraw/zinc/97/81/03/407978103.db2.gz YZHHRYHZBYRZKB-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000174330764 407933225 /nfs/dbraw/zinc/93/32/25/407933225.db2.gz SWXZEWPEEFRXMD-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000174330764 407933227 /nfs/dbraw/zinc/93/32/27/407933227.db2.gz SWXZEWPEEFRXMD-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272562888 407984562 /nfs/dbraw/zinc/98/45/62/407984562.db2.gz UNRDILDCLUKAFC-OCCSQVGLSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000135885516 408060393 /nfs/dbraw/zinc/06/03/93/408060393.db2.gz JFNNSJJXTDHAEI-UHFFFAOYSA-N 1 1 312.366 1.286 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245872941 408087691 /nfs/dbraw/zinc/08/76/91/408087691.db2.gz HEQZTKKFBGNFQS-MNOVXSKESA-N 1 1 309.370 1.179 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(CO)CC1 ZINC000190007275 408145756 /nfs/dbraw/zinc/14/57/56/408145756.db2.gz HTMDIRMISPXBJG-UHFFFAOYSA-N 1 1 308.334 1.666 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(CO)CC1 ZINC000190007275 408145758 /nfs/dbraw/zinc/14/57/58/408145758.db2.gz HTMDIRMISPXBJG-UHFFFAOYSA-N 1 1 308.334 1.666 20 5 DDBDMO CCC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121446486 408214899 /nfs/dbraw/zinc/21/48/99/408214899.db2.gz SEMHXZOYRCRLOU-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO Nc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269427724 408305771 /nfs/dbraw/zinc/30/57/71/408305771.db2.gz OJQKNFJRHJVVPE-JQWIXIFHSA-N 1 1 318.381 1.420 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000269439045 408310773 /nfs/dbraw/zinc/31/07/73/408310773.db2.gz DCXBPYUYZNTRRR-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000183208503 408354043 /nfs/dbraw/zinc/35/40/43/408354043.db2.gz DSAWPCPXUKTZTM-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(CN1CCC[N@H+](C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172346410 162270624 /nfs/dbraw/zinc/27/06/24/162270624.db2.gz UMHQVIVHYNBRFR-UHFFFAOYSA-N 1 1 318.377 1.703 20 5 DDBDMO C[NH+](C)Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000159150735 408385991 /nfs/dbraw/zinc/38/59/91/408385991.db2.gz GNBFSYZWIMULHB-UHFFFAOYSA-N 1 1 303.322 1.310 20 5 DDBDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475398 408508172 /nfs/dbraw/zinc/50/81/72/408508172.db2.gz YPJSBOZDQBIYQZ-IUODEOHRSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475398 408508175 /nfs/dbraw/zinc/50/81/75/408508175.db2.gz YPJSBOZDQBIYQZ-IUODEOHRSA-N 1 1 321.377 1.793 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000183950526 408513969 /nfs/dbraw/zinc/51/39/69/408513969.db2.gz FGLQJWQEVYBOTN-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000265155464 408564392 /nfs/dbraw/zinc/56/43/92/408564392.db2.gz UMMUZBGQBNFFOV-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000248440584 408566868 /nfs/dbraw/zinc/56/68/68/408566868.db2.gz DCFFUNWRYHJCRQ-HIFRSBDPSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000248440584 408566876 /nfs/dbraw/zinc/56/68/76/408566876.db2.gz DCFFUNWRYHJCRQ-HIFRSBDPSA-N 1 1 322.361 1.445 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177154586 408536674 /nfs/dbraw/zinc/53/66/74/408536674.db2.gz XZBJJXOBUOCYFP-MWLCHTKSSA-N 1 1 304.350 1.532 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162380457 408695433 /nfs/dbraw/zinc/69/54/33/408695433.db2.gz SZSKJWKDQGRHES-ZDUSSCGKSA-N 1 1 305.378 1.904 20 5 DDBDMO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194058913 408761127 /nfs/dbraw/zinc/76/11/27/408761127.db2.gz QSNILOWKNBHATI-SECBINFHSA-N 1 1 310.310 1.317 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194058913 408761132 /nfs/dbraw/zinc/76/11/32/408761132.db2.gz QSNILOWKNBHATI-SECBINFHSA-N 1 1 310.310 1.317 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000265733793 408761959 /nfs/dbraw/zinc/76/19/59/408761959.db2.gz AJJBRIDONRNKRX-NSHDSACASA-N 1 1 308.334 1.930 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290796091 408834504 /nfs/dbraw/zinc/83/45/04/408834504.db2.gz OXZPUSXUKRAAAE-NSHDSACASA-N 1 1 321.381 1.257 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285742685 408854551 /nfs/dbraw/zinc/85/45/51/408854551.db2.gz LBPORQYPDAGMDM-MFKMUULPSA-N 1 1 319.365 1.407 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291624207 408896622 /nfs/dbraw/zinc/89/66/22/408896622.db2.gz CWUHZYBOZLTKIO-LLVKDONJSA-N 1 1 316.304 1.923 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277398218 408933367 /nfs/dbraw/zinc/93/33/67/408933367.db2.gz BDSAUYFMYHYCIM-LBPRGKRZSA-N 1 1 321.381 1.383 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291992232 408957551 /nfs/dbraw/zinc/95/75/51/408957551.db2.gz WXKLQIDYYJDNME-UONOGXRCSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282178782 409005787 /nfs/dbraw/zinc/00/57/87/409005787.db2.gz VPHUGUMMVZRXPQ-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(CO)CCC1 ZINC000292264933 409013359 /nfs/dbraw/zinc/01/33/59/409013359.db2.gz ZBESQVFEAPYWCI-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(CO)CCC1 ZINC000292264933 409013360 /nfs/dbraw/zinc/01/33/60/409013360.db2.gz ZBESQVFEAPYWCI-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](OCc3ccncc3)C2)n1 ZINC000287639385 409068747 /nfs/dbraw/zinc/06/87/47/409068747.db2.gz GBRKRXPOJCQONG-AWEZNQCLSA-N 1 1 317.349 1.477 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000283773303 409213874 /nfs/dbraw/zinc/21/38/74/409213874.db2.gz PQEHCUIKHRTBKU-OAHLLOKOSA-N 1 1 312.366 1.348 20 5 DDBDMO COC(=O)c1cc(C)nc(N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000283935751 409242284 /nfs/dbraw/zinc/24/22/84/409242284.db2.gz XUBKKAVSRQEUJC-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280290279 409286022 /nfs/dbraw/zinc/28/60/22/409286022.db2.gz RDYLKHPDMVJPMK-UHFFFAOYSA-N 1 1 307.354 1.433 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280290279 409286024 /nfs/dbraw/zinc/28/60/24/409286024.db2.gz RDYLKHPDMVJPMK-UHFFFAOYSA-N 1 1 307.354 1.433 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000284887863 409369053 /nfs/dbraw/zinc/36/90/53/409369053.db2.gz GWNNXUMCCNJIDR-KBPBESRZSA-N 1 1 317.349 1.380 20 5 DDBDMO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280537985 409347772 /nfs/dbraw/zinc/34/77/72/409347772.db2.gz PLMLNRRPYFNXOW-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280537985 409347781 /nfs/dbraw/zinc/34/77/81/409347781.db2.gz PLMLNRRPYFNXOW-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285390753 409424573 /nfs/dbraw/zinc/42/45/73/409424573.db2.gz NXXJLDZYXQMSML-GXTWGEPZSA-N 1 1 320.353 1.103 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285390753 409424579 /nfs/dbraw/zinc/42/45/79/409424579.db2.gz NXXJLDZYXQMSML-GXTWGEPZSA-N 1 1 320.353 1.103 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331513245 409587696 /nfs/dbraw/zinc/58/76/96/409587696.db2.gz MZHHIBLWVQVJGP-JTQLQIEISA-N 1 1 305.334 1.570 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354008342 409597753 /nfs/dbraw/zinc/59/77/53/409597753.db2.gz SINDALPGBYZFNW-LLVKDONJSA-N 1 1 309.370 1.079 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000304339052 409610008 /nfs/dbraw/zinc/61/00/08/409610008.db2.gz PGALAKOWPHARFT-HOTGVXAUSA-N 1 1 316.361 1.989 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356793986 409611118 /nfs/dbraw/zinc/61/11/18/409611118.db2.gz LWBVGLBWLPTQQB-QWRGUYRKSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356793986 409611125 /nfs/dbraw/zinc/61/11/25/409611125.db2.gz LWBVGLBWLPTQQB-QWRGUYRKSA-N 1 1 322.365 1.695 20 5 DDBDMO CCC(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000305157871 409706663 /nfs/dbraw/zinc/70/66/63/409706663.db2.gz DBROKMZIJFAEAH-OAHLLOKOSA-N 1 1 321.377 1.573 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000305157871 409706672 /nfs/dbraw/zinc/70/66/72/409706672.db2.gz DBROKMZIJFAEAH-OAHLLOKOSA-N 1 1 321.377 1.573 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342788904 409907841 /nfs/dbraw/zinc/90/78/41/409907841.db2.gz NYJOYXYCWNNUIR-NSHDSACASA-N 1 1 306.366 1.614 20 5 DDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354521309 409915023 /nfs/dbraw/zinc/91/50/23/409915023.db2.gz NHZDAZDFWUSWHK-WCQYABFASA-N 1 1 315.333 1.146 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000332096657 409876745 /nfs/dbraw/zinc/87/67/45/409876745.db2.gz OIPIUKAXRCSUIW-UHFFFAOYSA-N 1 1 317.349 1.751 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297855308 410028476 /nfs/dbraw/zinc/02/84/76/410028476.db2.gz TXIKWKJAJGQPOZ-AWEZNQCLSA-N 1 1 305.338 1.549 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000332272981 410032276 /nfs/dbraw/zinc/03/22/76/410032276.db2.gz PYJLSUGWGIQJPY-LLVKDONJSA-N 1 1 316.361 1.781 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000332272981 410032278 /nfs/dbraw/zinc/03/22/78/410032278.db2.gz PYJLSUGWGIQJPY-LLVKDONJSA-N 1 1 316.361 1.781 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000332355525 410088373 /nfs/dbraw/zinc/08/83/73/410088373.db2.gz PVAOXFIMSDRNFB-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@@H](C)C1 ZINC000332355525 410088381 /nfs/dbraw/zinc/08/83/81/410088381.db2.gz PVAOXFIMSDRNFB-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000346695005 410091154 /nfs/dbraw/zinc/09/11/54/410091154.db2.gz XRTIGVQTGIDDNE-GXFFZTMASA-N 1 1 308.334 1.987 20 5 DDBDMO C[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339632120 410343873 /nfs/dbraw/zinc/34/38/73/410343873.db2.gz WSMZFLLBZJAREM-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343451721 410463345 /nfs/dbraw/zinc/46/33/45/410463345.db2.gz OLEBVOQRUXOEFW-QWHCGFSZSA-N 1 1 321.377 1.963 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000343550615 410525680 /nfs/dbraw/zinc/52/56/80/410525680.db2.gz CCXJOILHUVPQTH-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343609416 410568099 /nfs/dbraw/zinc/56/80/99/410568099.db2.gz SJUUGEFOEVFGRD-DGCLKSJQSA-N 1 1 306.366 1.877 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000343572767 410541440 /nfs/dbraw/zinc/54/14/40/410541440.db2.gz PIVGJHPBUVPUPD-AWEZNQCLSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@H]1COCCN1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570319 410666618 /nfs/dbraw/zinc/66/66/18/410666618.db2.gz FXWNAMSRGQLEBP-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000353051132 410760525 /nfs/dbraw/zinc/76/05/25/410760525.db2.gz XQAIAZJSMJQUOU-QMMMGPOBSA-N 1 1 304.393 1.712 20 5 DDBDMO Cn1[nH]c([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)nc1=N ZINC000340216324 410764463 /nfs/dbraw/zinc/76/44/63/410764463.db2.gz YZIAOXPMKHBZSF-CYBMUJFWSA-N 1 1 316.365 1.515 20 5 DDBDMO Cn1[nH]c([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)nc1=N ZINC000340216324 410764473 /nfs/dbraw/zinc/76/44/73/410764473.db2.gz YZIAOXPMKHBZSF-CYBMUJFWSA-N 1 1 316.365 1.515 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600202 410814482 /nfs/dbraw/zinc/81/44/82/410814482.db2.gz FQIZJXFWBXMKHV-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600202 410814490 /nfs/dbraw/zinc/81/44/90/410814490.db2.gz FQIZJXFWBXMKHV-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600202 410814493 /nfs/dbraw/zinc/81/44/93/410814493.db2.gz FQIZJXFWBXMKHV-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600202 410814500 /nfs/dbraw/zinc/81/45/00/410814500.db2.gz FQIZJXFWBXMKHV-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236586 410871682 /nfs/dbraw/zinc/87/16/82/410871682.db2.gz SWFCGUJCGKVMOR-FZMZJTMJSA-N 1 1 307.350 1.667 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044941 410916827 /nfs/dbraw/zinc/91/68/27/410916827.db2.gz XVGBWYJJIGANLG-TUKIKUTGSA-N 1 1 319.361 1.626 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1C ZINC000331135296 410969663 /nfs/dbraw/zinc/96/96/63/410969663.db2.gz KHKZBGYDEBFGLC-LBPRGKRZSA-N 1 1 308.338 1.108 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(O)CCC1 ZINC000353465497 411007167 /nfs/dbraw/zinc/00/71/67/411007167.db2.gz FCYPCRFPIWNIGQ-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399690 411010899 /nfs/dbraw/zinc/01/08/99/411010899.db2.gz YMXCIWFECXCOBX-VXGBXAGGSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399690 411010905 /nfs/dbraw/zinc/01/09/05/411010905.db2.gz YMXCIWFECXCOBX-VXGBXAGGSA-N 1 1 305.334 1.657 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331197236 411011306 /nfs/dbraw/zinc/01/13/06/411011306.db2.gz OCNYOQCGKTYBCF-LBPRGKRZSA-N 1 1 307.350 1.445 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331197236 411011308 /nfs/dbraw/zinc/01/13/08/411011308.db2.gz OCNYOQCGKTYBCF-LBPRGKRZSA-N 1 1 307.350 1.445 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000353490960 411028620 /nfs/dbraw/zinc/02/86/20/411028620.db2.gz LOKGZRXUJWUTON-QWRGUYRKSA-N 1 1 321.381 1.517 20 5 DDBDMO NC(=O)NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130689636 196101454 /nfs/dbraw/zinc/10/14/54/196101454.db2.gz COHHUYOKVVQCAR-UHFFFAOYSA-N 1 1 306.322 1.144 20 5 DDBDMO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000134066229 196358431 /nfs/dbraw/zinc/35/84/31/196358431.db2.gz IBGZSPCMMYGAPS-ZDUSSCGKSA-N 1 1 321.377 1.601 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000191678709 222107047 /nfs/dbraw/zinc/10/70/47/222107047.db2.gz WECAAVLCWGPBQZ-NEPJUHHUSA-N 1 1 321.381 1.368 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000367825320 418640601 /nfs/dbraw/zinc/64/06/01/418640601.db2.gz JJGLHMIUEKDREC-GFCCVEGCSA-N 1 1 321.377 1.690 20 5 DDBDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408894 418646343 /nfs/dbraw/zinc/64/63/43/418646343.db2.gz QRPMYAUKBKGVBV-GFCCVEGCSA-N 1 1 318.333 1.990 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408894 418646345 /nfs/dbraw/zinc/64/63/45/418646345.db2.gz QRPMYAUKBKGVBV-GFCCVEGCSA-N 1 1 318.333 1.990 20 5 DDBDMO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000361309790 418623612 /nfs/dbraw/zinc/62/36/12/418623612.db2.gz MTTVHTNQIUPWCJ-CQSZACIVSA-N 1 1 304.350 1.584 20 5 DDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000361309790 418623614 /nfs/dbraw/zinc/62/36/14/418623614.db2.gz MTTVHTNQIUPWCJ-CQSZACIVSA-N 1 1 304.350 1.584 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+]([C@H](C)CO)CC1 ZINC000375502215 418651794 /nfs/dbraw/zinc/65/17/94/418651794.db2.gz RFOYOUUEHFERSA-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000375668208 418670841 /nfs/dbraw/zinc/67/08/41/418670841.db2.gz DNOMXMNIDZOPBW-RRFJBIMHSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375668208 418670843 /nfs/dbraw/zinc/67/08/43/418670843.db2.gz DNOMXMNIDZOPBW-RRFJBIMHSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375668208 418670845 /nfs/dbraw/zinc/67/08/45/418670845.db2.gz DNOMXMNIDZOPBW-RRFJBIMHSA-N 1 1 303.362 1.290 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361552658 418676603 /nfs/dbraw/zinc/67/66/03/418676603.db2.gz LVBZEPSLWICOKO-HNNXBMFYSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361552658 418676604 /nfs/dbraw/zinc/67/66/04/418676604.db2.gz LVBZEPSLWICOKO-HNNXBMFYSA-N 1 1 320.349 1.039 20 5 DDBDMO CCCNC(=O)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411480158 418907995 /nfs/dbraw/zinc/90/79/95/418907995.db2.gz NRWNRMLUUJVMIT-UHFFFAOYSA-N 1 1 306.366 1.654 20 5 DDBDMO CCCNC(=O)CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411480158 418907997 /nfs/dbraw/zinc/90/79/97/418907997.db2.gz NRWNRMLUUJVMIT-UHFFFAOYSA-N 1 1 306.366 1.654 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1CCO ZINC000426236888 419417101 /nfs/dbraw/zinc/41/71/01/419417101.db2.gz KHAXXHFZYIQLHJ-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000426236888 419417113 /nfs/dbraw/zinc/41/71/13/419417113.db2.gz KHAXXHFZYIQLHJ-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO CCn1nccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425975838 419376432 /nfs/dbraw/zinc/37/64/32/419376432.db2.gz HTISBXOYWHDJOP-UHFFFAOYSA-N 1 1 304.354 1.845 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420996435 419432867 /nfs/dbraw/zinc/43/28/67/419432867.db2.gz ATNUYQRECVNQAN-RISCZKNCSA-N 1 1 307.350 1.769 20 5 DDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000421000179 419433152 /nfs/dbraw/zinc/43/31/52/419433152.db2.gz KANZSJACSKSMHN-CABCVRRESA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000179 419433157 /nfs/dbraw/zinc/43/31/57/419433157.db2.gz KANZSJACSKSMHN-CABCVRRESA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421000179 419433159 /nfs/dbraw/zinc/43/31/59/419433159.db2.gz KANZSJACSKSMHN-CABCVRRESA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412072594 419624347 /nfs/dbraw/zinc/62/43/47/419624347.db2.gz HJLUJOKWROZUNS-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412072594 419624354 /nfs/dbraw/zinc/62/43/54/419624354.db2.gz HJLUJOKWROZUNS-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000421706657 419692115 /nfs/dbraw/zinc/69/21/15/419692115.db2.gz VKMUPIMSJYAIFF-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1ccnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421842866 419747207 /nfs/dbraw/zinc/74/72/07/419747207.db2.gz LTHTZWQLDXZGEG-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421842333 419748123 /nfs/dbraw/zinc/74/81/23/419748123.db2.gz KSDFEOVOHYKSGO-UHFFFAOYSA-N 1 1 316.361 1.980 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432249307 229090535 /nfs/dbraw/zinc/09/05/35/229090535.db2.gz CUTUUKFJVVFKQQ-STQMWFEESA-N 1 1 321.377 1.833 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415631666 420129354 /nfs/dbraw/zinc/12/93/54/420129354.db2.gz NJXVXLLVCKNTFZ-ZDUSSCGKSA-N 1 1 314.292 1.899 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)nc2c1 ZINC000425554810 420417078 /nfs/dbraw/zinc/41/70/78/420417078.db2.gz WSWWOTDRWZDGBC-SECBINFHSA-N 1 1 314.305 1.844 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)nc2c1 ZINC000425554810 420417079 /nfs/dbraw/zinc/41/70/79/420417079.db2.gz WSWWOTDRWZDGBC-SECBINFHSA-N 1 1 314.305 1.844 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447911288 420816529 /nfs/dbraw/zinc/81/65/29/420816529.db2.gz ZMWAQJXWMDWBER-AAEUAGOBSA-N 1 1 300.742 1.878 20 5 DDBDMO CC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700484 420919437 /nfs/dbraw/zinc/91/94/37/420919437.db2.gz XREIQTVPRSKORQ-BPJJOFIESA-N 1 1 307.325 1.958 20 5 DDBDMO CNc1nc(C(=O)N2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000454588156 420887580 /nfs/dbraw/zinc/88/75/80/420887580.db2.gz HPMKVOWZONZBJT-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448975277 420926328 /nfs/dbraw/zinc/92/63/28/420926328.db2.gz GVXLYFCDEGSCSP-UHFFFAOYSA-N 1 1 317.349 1.462 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455625955 421045410 /nfs/dbraw/zinc/04/54/10/421045410.db2.gz OOSWVTIMYLNURX-LLVKDONJSA-N 1 1 321.381 1.636 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488767295 421113253 /nfs/dbraw/zinc/11/32/53/421113253.db2.gz VTVTVGZCRIXWSI-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488767295 421113256 /nfs/dbraw/zinc/11/32/56/421113256.db2.gz VTVTVGZCRIXWSI-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456216421 421124297 /nfs/dbraw/zinc/12/42/97/421124297.db2.gz VHIWXJNPXPEVCX-BETUJISGSA-N 1 1 321.377 1.051 20 5 DDBDMO Nc1c(F)c(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450590407 421213320 /nfs/dbraw/zinc/21/33/20/421213320.db2.gz DREQMIUMMJHKAI-JTQLQIEISA-N 1 1 312.345 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000450593998 421214360 /nfs/dbraw/zinc/21/43/60/421214360.db2.gz JWWUYSGXEGVKEX-LBPRGKRZSA-N 1 1 309.366 1.862 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000525805301 421302631 /nfs/dbraw/zinc/30/26/31/421302631.db2.gz KFCSYMZHRNAVHR-SNVBAGLBSA-N 1 1 321.333 1.395 20 5 DDBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000554835946 421662717 /nfs/dbraw/zinc/66/27/17/421662717.db2.gz RYDSPINPLVTZHL-LLVKDONJSA-N 1 1 319.321 1.478 20 5 DDBDMO CCn1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000535585016 421705569 /nfs/dbraw/zinc/70/55/69/421705569.db2.gz FNROCVHOCVJLCI-UHFFFAOYSA-N 1 1 305.338 1.105 20 5 DDBDMO CCn1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000535585016 421705571 /nfs/dbraw/zinc/70/55/71/421705571.db2.gz FNROCVHOCVJLCI-UHFFFAOYSA-N 1 1 305.338 1.105 20 5 DDBDMO COC(=O)c1cnc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000572090480 421764513 /nfs/dbraw/zinc/76/45/13/421764513.db2.gz LEQJCYNAQOXHNM-JTQLQIEISA-N 1 1 320.349 1.673 20 5 DDBDMO CCOc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000543479538 421838391 /nfs/dbraw/zinc/83/83/91/421838391.db2.gz FOMPBDGOGJSGCW-CYBMUJFWSA-N 1 1 307.350 1.514 20 5 DDBDMO CCOc1cc(N2CC[N@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000543479538 421838392 /nfs/dbraw/zinc/83/83/92/421838392.db2.gz FOMPBDGOGJSGCW-CYBMUJFWSA-N 1 1 307.350 1.514 20 5 DDBDMO CC[C@]1(O)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000602983651 422440529 /nfs/dbraw/zinc/44/05/29/422440529.db2.gz PAQWYFGYFVSFIA-INIZCTEOSA-N 1 1 321.377 1.795 20 5 DDBDMO CC[C@]1(O)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000602983651 422440533 /nfs/dbraw/zinc/44/05/33/422440533.db2.gz PAQWYFGYFVSFIA-INIZCTEOSA-N 1 1 321.377 1.795 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342070547 271290370 /nfs/dbraw/zinc/29/03/70/271290370.db2.gz WRPSCGQBBWGEDU-ZDUSSCGKSA-N 1 1 309.366 1.384 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000342287101 271367199 /nfs/dbraw/zinc/36/71/99/271367199.db2.gz WWVNKYRRXKULEH-LLVKDONJSA-N 1 1 300.318 1.701 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000413479670 274017262 /nfs/dbraw/zinc/01/72/62/274017262.db2.gz QMQVAENZKXKZHV-UHFFFAOYSA-N 1 1 323.393 1.687 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccn1)C1CC1 ZINC000180859861 275044109 /nfs/dbraw/zinc/04/41/09/275044109.db2.gz WMIGAVJBUKMJBS-UHFFFAOYSA-N 1 1 314.345 1.816 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000180859861 275044110 /nfs/dbraw/zinc/04/41/10/275044110.db2.gz WMIGAVJBUKMJBS-UHFFFAOYSA-N 1 1 314.345 1.816 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000331216404 277389577 /nfs/dbraw/zinc/38/95/77/277389577.db2.gz VVYBLNLRTWBHDE-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000331216404 277389579 /nfs/dbraw/zinc/38/95/79/277389579.db2.gz VVYBLNLRTWBHDE-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000055171824 280897995 /nfs/dbraw/zinc/89/79/95/280897995.db2.gz AZBFQMIFQAAOQM-ZDUSSCGKSA-N 1 1 318.333 1.924 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000361740258 299927768 /nfs/dbraw/zinc/92/77/68/299927768.db2.gz HBMUBVIUEBNYPZ-LBPRGKRZSA-N 1 1 300.336 1.468 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCc2nc[nH]c2C1 ZINC000357972102 299037471 /nfs/dbraw/zinc/03/74/71/299037471.db2.gz HZQPWHBNDBSDOH-SNVBAGLBSA-N 1 1 318.308 1.673 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362073130 300000421 /nfs/dbraw/zinc/00/04/21/300000421.db2.gz UHYUGJWVKWSEHX-WDEREUQCSA-N 1 1 323.349 1.102 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362073130 300000426 /nfs/dbraw/zinc/00/04/26/300000426.db2.gz UHYUGJWVKWSEHX-WDEREUQCSA-N 1 1 323.349 1.102 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000363628382 300288921 /nfs/dbraw/zinc/28/89/21/300288921.db2.gz PPTRIPQWDQLIPX-UHFFFAOYSA-N 1 1 319.361 1.670 20 5 DDBDMO COc1cccc(N2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363697532 300298171 /nfs/dbraw/zinc/29/81/71/300298171.db2.gz FLKYSOKFAQLASL-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000368519557 301047214 /nfs/dbraw/zinc/04/72/14/301047214.db2.gz QUANIECLBTVHRC-DUVNUKRYSA-N 1 1 322.361 1.445 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCC[C@H]2O1 ZINC000369181688 301140945 /nfs/dbraw/zinc/14/09/45/301140945.db2.gz AWCSVNZQWXNIPC-ZIAGYGMSSA-N 1 1 321.377 1.788 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000370654373 301376413 /nfs/dbraw/zinc/37/64/13/301376413.db2.gz RYHNIAWPKBXTFQ-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000377331890 302170599 /nfs/dbraw/zinc/17/05/99/302170599.db2.gz UTULODKKEFECGV-VIFPVBQESA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000377331890 302170601 /nfs/dbraw/zinc/17/06/01/302170601.db2.gz UTULODKKEFECGV-VIFPVBQESA-N 1 1 317.305 1.469 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377567106 302193779 /nfs/dbraw/zinc/19/37/79/302193779.db2.gz YFYGBXXBKJBZNV-LBPRGKRZSA-N 1 1 313.304 1.593 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000356815960 306864355 /nfs/dbraw/zinc/86/43/55/306864355.db2.gz DGNZLBSDWDLPQQ-UHFFFAOYSA-N 1 1 303.322 1.905 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000531310881 303239440 /nfs/dbraw/zinc/23/94/40/303239440.db2.gz PTRSZLBNUAAEDT-UHFFFAOYSA-N 1 1 323.393 1.994 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000532873514 303300290 /nfs/dbraw/zinc/30/02/90/303300290.db2.gz PCRBDDJMHNKITI-AAEUAGOBSA-N 1 1 306.366 1.490 20 5 DDBDMO Cc1c(C[NH+]2CCC(S(N)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000361744736 307005082 /nfs/dbraw/zinc/00/50/82/307005082.db2.gz OFINKEOZGSGFSE-UHFFFAOYSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000363779154 307035680 /nfs/dbraw/zinc/03/56/80/307035680.db2.gz CGYYRDNVFCJRSR-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000363779154 307035681 /nfs/dbraw/zinc/03/56/81/307035681.db2.gz CGYYRDNVFCJRSR-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364755328 307050471 /nfs/dbraw/zinc/05/04/71/307050471.db2.gz PSKYWIGMEZPYDL-KCXAZCMYSA-N 1 1 317.389 1.993 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000365027811 307056860 /nfs/dbraw/zinc/05/68/60/307056860.db2.gz QLAGKGYJYZPBFP-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000365027811 307056861 /nfs/dbraw/zinc/05/68/61/307056861.db2.gz QLAGKGYJYZPBFP-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c2c(c1)COCO2 ZINC000373512581 307189474 /nfs/dbraw/zinc/18/94/74/307189474.db2.gz LSCRDMDUAMECCQ-ZDUSSCGKSA-N 1 1 306.318 1.418 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c2c(c1)COCO2 ZINC000373512581 307189475 /nfs/dbraw/zinc/18/94/75/307189475.db2.gz LSCRDMDUAMECCQ-ZDUSSCGKSA-N 1 1 306.318 1.418 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608739 307192092 /nfs/dbraw/zinc/19/20/92/307192092.db2.gz DTVBFYPHPNCEIB-YQQAZPJKSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608739 307192093 /nfs/dbraw/zinc/19/20/93/307192093.db2.gz DTVBFYPHPNCEIB-YQQAZPJKSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608739 307192094 /nfs/dbraw/zinc/19/20/94/307192094.db2.gz DTVBFYPHPNCEIB-YQQAZPJKSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021459 307300782 /nfs/dbraw/zinc/30/07/82/307300782.db2.gz OBYSYWSVYKWLTO-FRRDWIJNSA-N 1 1 310.350 1.180 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000575981225 308284346 /nfs/dbraw/zinc/28/43/46/308284346.db2.gz BWHYDSUZAGKNHD-VIFPVBQESA-N 1 1 302.352 1.126 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000582974829 337225112 /nfs/dbraw/zinc/22/51/12/337225112.db2.gz JGBUKGUXWOEBFK-UHFFFAOYSA-N 1 1 322.365 1.226 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000421023575 484112509 /nfs/dbraw/zinc/11/25/09/484112509.db2.gz RJZQLSHHDFXYTO-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000421023575 484112514 /nfs/dbraw/zinc/11/25/14/484112514.db2.gz RJZQLSHHDFXYTO-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000575474893 484351730 /nfs/dbraw/zinc/35/17/30/484351730.db2.gz KJZOYGYPTBENIY-LLVKDONJSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000575474893 484351733 /nfs/dbraw/zinc/35/17/33/484351733.db2.gz KJZOYGYPTBENIY-LLVKDONJSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330922067 527806468 /nfs/dbraw/zinc/80/64/68/527806468.db2.gz AYAHLIBBVRQIFP-LBPRGKRZSA-N 1 1 323.397 1.327 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000026256871 536307322 /nfs/dbraw/zinc/30/73/22/536307322.db2.gz AWEFEQJUINBCJZ-UHFFFAOYSA-N 1 1 317.349 1.789 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000026256859 536307780 /nfs/dbraw/zinc/30/77/80/536307780.db2.gz MCHXDGASITYSET-UHFFFAOYSA-N 1 1 317.349 1.789 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797525084 700013219 /nfs/dbraw/zinc/01/32/19/700013219.db2.gz AKODOWSXMQAENN-DZGCQCFKSA-N 1 1 307.350 1.086 20 5 DDBDMO C[C@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000777494326 698195581 /nfs/dbraw/zinc/19/55/81/698195581.db2.gz GCKZRFHVWLNVDT-NSHDSACASA-N 1 1 324.406 1.290 20 5 DDBDMO C[C@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000777494326 698195582 /nfs/dbraw/zinc/19/55/82/698195582.db2.gz GCKZRFHVWLNVDT-NSHDSACASA-N 1 1 324.406 1.290 20 5 DDBDMO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000777557299 698201805 /nfs/dbraw/zinc/20/18/05/698201805.db2.gz QEYGWVFUZGXWKG-OAHLLOKOSA-N 1 1 313.317 1.345 20 5 DDBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000777557299 698201806 /nfs/dbraw/zinc/20/18/06/698201806.db2.gz QEYGWVFUZGXWKG-OAHLLOKOSA-N 1 1 313.317 1.345 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000778786661 698368636 /nfs/dbraw/zinc/36/86/36/698368636.db2.gz AHRVGQHYSWFVSG-UHFFFAOYSA-N 1 1 321.337 1.710 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793934059 699787935 /nfs/dbraw/zinc/78/79/35/699787935.db2.gz WPBVHJPEZPHEFG-OLZOCXBDSA-N 1 1 318.377 1.417 20 5 DDBDMO C[N@H+](C[C@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633936 699820155 /nfs/dbraw/zinc/82/01/55/699820155.db2.gz XDTSYDQGGBJXPE-SNVBAGLBSA-N 1 1 307.306 1.429 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633936 699820159 /nfs/dbraw/zinc/82/01/59/699820159.db2.gz XDTSYDQGGBJXPE-SNVBAGLBSA-N 1 1 307.306 1.429 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578718 699940155 /nfs/dbraw/zinc/94/01/55/699940155.db2.gz JXQYSNFJMUYYFS-GLQYFDAESA-N 1 1 310.350 1.100 20 5 DDBDMO COCC1(O)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000758377270 700701969 /nfs/dbraw/zinc/70/19/69/700701969.db2.gz VNFZQZKCQKSEIG-UHFFFAOYSA-N 1 1 320.349 1.375 20 5 DDBDMO Cn1cc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761527183 700862774 /nfs/dbraw/zinc/86/27/74/700862774.db2.gz NUGYAISTMXUUFZ-LBPRGKRZSA-N 1 1 310.741 1.805 20 5 DDBDMO C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000804477496 701193330 /nfs/dbraw/zinc/19/33/30/701193330.db2.gz VCVBYSVBIAGIMS-LLVKDONJSA-N 1 1 324.337 1.883 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H]1C[N@H+](C)CCO1 ZINC000770474557 701279519 /nfs/dbraw/zinc/27/95/19/701279519.db2.gz BLXWGIBIDQMIGU-GZMMTYOYSA-N 1 1 307.310 1.262 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H]1C[N@@H+](C)CCO1 ZINC000770474557 701279520 /nfs/dbraw/zinc/27/95/20/701279520.db2.gz BLXWGIBIDQMIGU-GZMMTYOYSA-N 1 1 307.310 1.262 20 5 DDBDMO O=C1N[C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000830917411 706602292 /nfs/dbraw/zinc/60/22/92/706602292.db2.gz XVJIOYUVBHCPAF-XBFCOCLRSA-N 1 1 321.333 1.059 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000839609286 701752700 /nfs/dbraw/zinc/75/27/00/701752700.db2.gz HXHURRNBYZBJFZ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000839609286 701752706 /nfs/dbraw/zinc/75/27/06/701752706.db2.gz HXHURRNBYZBJFZ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CN(C[C@@H]1CCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945230 701846869 /nfs/dbraw/zinc/84/68/69/701846869.db2.gz BANUTZZDIYCQNI-XHDPSFHLSA-N 1 1 307.350 1.264 20 5 DDBDMO Nc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810850733 701862371 /nfs/dbraw/zinc/86/23/71/701862371.db2.gz NXBIWAGIPBWRCM-VXGBXAGGSA-N 1 1 305.334 1.961 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811781523 702058305 /nfs/dbraw/zinc/05/83/05/702058305.db2.gz DEBWTBAETGNFQA-CQSZACIVSA-N 1 1 313.361 1.886 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000811781523 702058311 /nfs/dbraw/zinc/05/83/11/702058311.db2.gz DEBWTBAETGNFQA-CQSZACIVSA-N 1 1 313.361 1.886 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CC[C@H]21 ZINC000866207483 706648985 /nfs/dbraw/zinc/64/89/85/706648985.db2.gz PMBFWAWYQMDZMM-NXEZZACHSA-N 1 1 307.379 1.834 20 5 DDBDMO CC(C)(CCc1noc([C@@H]2CCn3c[nH+]cc3C2)n1)[N+](=O)[O-] ZINC000812812493 702246535 /nfs/dbraw/zinc/24/65/35/702246535.db2.gz JMVCBWFGYHVNQN-SNVBAGLBSA-N 1 1 305.338 1.984 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817369798 702356649 /nfs/dbraw/zinc/35/66/49/702356649.db2.gz CKVRLOHFHLVLCW-NSHDSACASA-N 1 1 317.349 1.278 20 5 DDBDMO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709026 703322191 /nfs/dbraw/zinc/32/21/91/703322191.db2.gz XWOTVLNTZIQZBE-WDEREUQCSA-N 1 1 324.356 1.874 20 5 DDBDMO CNc1nccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000848373716 703544529 /nfs/dbraw/zinc/54/45/29/703544529.db2.gz JJYRKYYHQIJQRT-JTQLQIEISA-N 1 1 307.354 1.246 20 5 DDBDMO O=[N+]([O-])c1ccc(NC(=S)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848650488 703571906 /nfs/dbraw/zinc/57/19/06/703571906.db2.gz OLOAPAZYSXOVTM-QWHCGFSZSA-N 1 1 322.390 1.042 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000879695739 706763460 /nfs/dbraw/zinc/76/34/60/706763460.db2.gz OKIPPFQLLIXTDP-BETUJISGSA-N 1 1 310.350 1.026 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852569052 704076959 /nfs/dbraw/zinc/07/69/59/704076959.db2.gz AKKSLMLRDSBZES-CYBMUJFWSA-N 1 1 311.338 1.258 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000819321832 704107204 /nfs/dbraw/zinc/10/72/04/704107204.db2.gz OGRPXRRHNZKITM-IAQYHMDHSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000819342252 704110533 /nfs/dbraw/zinc/11/05/33/704110533.db2.gz YNPDBGLEUMGIMM-GFCCVEGCSA-N 1 1 303.322 1.414 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000853966107 704341613 /nfs/dbraw/zinc/34/16/13/704341613.db2.gz OSYGOKOHBUXAAJ-CYBMUJFWSA-N 1 1 309.341 1.769 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176994 705123863 /nfs/dbraw/zinc/12/38/63/705123863.db2.gz LFPMQRHCWIYUGN-HZPDHXFCSA-N 1 1 321.377 1.619 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000874827017 705184924 /nfs/dbraw/zinc/18/49/24/705184924.db2.gz AGNBGIWHFWJHRN-WDEREUQCSA-N 1 1 307.354 1.120 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297892 705970540 /nfs/dbraw/zinc/97/05/40/705970540.db2.gz HNVKQNOYTMYAAQ-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297892 705970542 /nfs/dbraw/zinc/97/05/42/705970542.db2.gz HNVKQNOYTMYAAQ-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297892 705970543 /nfs/dbraw/zinc/97/05/43/705970543.db2.gz HNVKQNOYTMYAAQ-WDEREUQCSA-N 1 1 321.381 1.608 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827300687 705971824 /nfs/dbraw/zinc/97/18/24/705971824.db2.gz NCAPKWQUKMILIL-GXFFZTMASA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827331137 705977464 /nfs/dbraw/zinc/97/74/64/705977464.db2.gz WSHUUTLNZSDACW-GWCFXTLKSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827373156 705988224 /nfs/dbraw/zinc/98/82/24/705988224.db2.gz GWWIERAYORVNBO-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863833112 706024771 /nfs/dbraw/zinc/02/47/71/706024771.db2.gz JMLCEEONKNTJDG-JTQLQIEISA-N 1 1 313.741 1.045 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000878406887 706379402 /nfs/dbraw/zinc/37/94/02/706379402.db2.gz FWJCGXXYZJUEEL-CYBMUJFWSA-N 1 1 324.381 1.575 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880059588 706866611 /nfs/dbraw/zinc/86/66/11/706866611.db2.gz JKGZKGXQDKMUFS-KOLCDFICSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H](C(F)(F)F)O1 ZINC000880059588 706866613 /nfs/dbraw/zinc/86/66/13/706866613.db2.gz JKGZKGXQDKMUFS-KOLCDFICSA-N 1 1 322.287 1.833 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880296491 706931809 /nfs/dbraw/zinc/93/18/09/706931809.db2.gz BBXUTEXMNSHMDH-NSHDSACASA-N 1 1 307.325 1.775 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](CF)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880296491 706931812 /nfs/dbraw/zinc/93/18/12/706931812.db2.gz BBXUTEXMNSHMDH-NSHDSACASA-N 1 1 307.325 1.775 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880438330 706976347 /nfs/dbraw/zinc/97/63/47/706976347.db2.gz BTYGBJXWSKVZKP-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880438330 706976348 /nfs/dbraw/zinc/97/63/48/706976348.db2.gz BTYGBJXWSKVZKP-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000872271345 707358310 /nfs/dbraw/zinc/35/83/10/707358310.db2.gz NSPFZMJJCOXLJG-CHWSQXEVSA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000872271345 707358315 /nfs/dbraw/zinc/35/83/15/707358315.db2.gz NSPFZMJJCOXLJG-CHWSQXEVSA-N 1 1 316.304 1.984 20 5 DDBDMO C[N@@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])CCOCCO ZINC000882951622 707867435 /nfs/dbraw/zinc/86/74/35/707867435.db2.gz NKTSNCOBCLYMDV-UHFFFAOYSA-N 1 1 317.773 1.601 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838906368 708000969 /nfs/dbraw/zinc/00/09/69/708000969.db2.gz LMUXTTUQGURKRV-GASCZTMLSA-N 1 1 320.345 1.544 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896670576 708113688 /nfs/dbraw/zinc/11/36/88/708113688.db2.gz PBJISKWMSXTTRS-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897218461 708256437 /nfs/dbraw/zinc/25/64/37/708256437.db2.gz CUFOEWYKWTUBCP-STQMWFEESA-N 1 1 323.397 1.155 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897218132 708256677 /nfs/dbraw/zinc/25/66/77/708256677.db2.gz BCLCBHKBTOAKAM-UONOGXRCSA-N 1 1 321.377 1.639 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000884823974 708387680 /nfs/dbraw/zinc/38/76/80/708387680.db2.gz MJSLWMFMSMGQLP-UHFFFAOYSA-N 1 1 307.272 1.950 20 5 DDBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098679 708697970 /nfs/dbraw/zinc/69/79/70/708697970.db2.gz PKHFKEMSRIYGQE-STQMWFEESA-N 1 1 304.350 1.480 20 5 DDBDMO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000898835479 708884087 /nfs/dbraw/zinc/88/40/87/708884087.db2.gz NPGAMDHQBBQGDL-ZIAGYGMSSA-N 1 1 319.361 1.903 20 5 DDBDMO Cc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000899910885 709235146 /nfs/dbraw/zinc/23/51/46/709235146.db2.gz KUPBOADZPBIPDN-ZDUSSCGKSA-N 1 1 305.334 1.562 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910273649 709857221 /nfs/dbraw/zinc/85/72/21/709857221.db2.gz KBFMWMNHJHPGRK-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000893264674 710582470 /nfs/dbraw/zinc/58/24/70/710582470.db2.gz GOSGQAVRVOXNNL-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438153 713195837 /nfs/dbraw/zinc/19/58/37/713195837.db2.gz SQQVRENQUJVQMG-WCQYABFASA-N 1 1 307.350 1.491 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000893392683 710633779 /nfs/dbraw/zinc/63/37/79/710633779.db2.gz HTXZALWVBPFFOU-LBPRGKRZSA-N 1 1 308.334 1.862 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000911502686 710826230 /nfs/dbraw/zinc/82/62/30/710826230.db2.gz SMPRJIHFHBWBGL-GFCCVEGCSA-N 1 1 320.349 1.296 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639647 710834815 /nfs/dbraw/zinc/83/48/15/710834815.db2.gz QQBZDNZCGVXUPG-KGLIPLIRSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639647 710834816 /nfs/dbraw/zinc/83/48/16/710834816.db2.gz QQBZDNZCGVXUPG-KGLIPLIRSA-N 1 1 317.349 1.920 20 5 DDBDMO CCNc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000893872821 710867674 /nfs/dbraw/zinc/86/76/74/710867674.db2.gz WMJZUPMFQCTJOO-GFCCVEGCSA-N 1 1 306.366 1.851 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@H]2C1 ZINC000893939062 710893117 /nfs/dbraw/zinc/89/31/17/710893117.db2.gz HFDVBUMDOKJOLS-ABAIWWIYSA-N 1 1 316.361 1.620 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000894179744 711002547 /nfs/dbraw/zinc/00/25/47/711002547.db2.gz YANBDICPVNTUNK-UHFFFAOYSA-N 1 1 309.370 1.019 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000894591712 711199049 /nfs/dbraw/zinc/19/90/49/711199049.db2.gz UNPJIFFGDJLVMM-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895249674 711466045 /nfs/dbraw/zinc/46/60/45/711466045.db2.gz WOFKARMZULHBHF-RYUDHWBXSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895249674 711466050 /nfs/dbraw/zinc/46/60/50/711466050.db2.gz WOFKARMZULHBHF-RYUDHWBXSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895249674 711466053 /nfs/dbraw/zinc/46/60/53/711466053.db2.gz WOFKARMZULHBHF-RYUDHWBXSA-N 1 1 318.381 1.289 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896526577 711739145 /nfs/dbraw/zinc/73/91/45/711739145.db2.gz YZMAVFPNUNNRKB-GFCCVEGCSA-N 1 1 322.365 1.664 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000917789287 713514054 /nfs/dbraw/zinc/51/40/54/713514054.db2.gz MLOUYNZUJNVMGO-RISCZKNCSA-N 1 1 322.365 1.365 20 5 DDBDMO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459851 714102727 /nfs/dbraw/zinc/10/27/27/714102727.db2.gz BEZZIGKDRYGVHU-IINYFYTJSA-N 1 1 302.334 1.971 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459851 714102729 /nfs/dbraw/zinc/10/27/29/714102729.db2.gz BEZZIGKDRYGVHU-IINYFYTJSA-N 1 1 302.334 1.971 20 5 DDBDMO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cs1 ZINC000922950106 714195302 /nfs/dbraw/zinc/19/53/02/714195302.db2.gz CFACEEZLSAMTDE-CYBMUJFWSA-N 1 1 311.407 1.999 20 5 DDBDMO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@H+]2C2CCOCC2)cs1 ZINC000922950106 714195305 /nfs/dbraw/zinc/19/53/05/714195305.db2.gz CFACEEZLSAMTDE-CYBMUJFWSA-N 1 1 311.407 1.999 20 5 DDBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932439103 714331623 /nfs/dbraw/zinc/33/16/23/714331623.db2.gz FDVZOKGQOGYCIX-GFCCVEGCSA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000932439103 714331624 /nfs/dbraw/zinc/33/16/24/714331624.db2.gz FDVZOKGQOGYCIX-GFCCVEGCSA-N 1 1 309.370 1.170 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3nc(C4CC4)cc3C2)c1 ZINC000932607184 714366471 /nfs/dbraw/zinc/36/64/71/714366471.db2.gz MBUZNEIOSCXONK-UHFFFAOYSA-N 1 1 302.338 1.381 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3nc(C4CC4)cc3C2)c1 ZINC000932607184 714366473 /nfs/dbraw/zinc/36/64/73/714366473.db2.gz MBUZNEIOSCXONK-UHFFFAOYSA-N 1 1 302.338 1.381 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646847 714374634 /nfs/dbraw/zinc/37/46/34/714374634.db2.gz UTYMGRMWIGRXTA-GXTWGEPZSA-N 1 1 308.334 1.513 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933998616 714719462 /nfs/dbraw/zinc/71/94/62/714719462.db2.gz LLKPLCJPAWZCIO-AWEZNQCLSA-N 1 1 306.410 1.835 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117635 714746161 /nfs/dbraw/zinc/74/61/61/714746161.db2.gz HROOBCPPKROSOL-LSDHHAIUSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117635 714746165 /nfs/dbraw/zinc/74/61/65/714746165.db2.gz HROOBCPPKROSOL-LSDHHAIUSA-N 1 1 319.361 1.593 20 5 DDBDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000934772767 714898462 /nfs/dbraw/zinc/89/84/62/714898462.db2.gz JBQSBNQIGDZVIB-DOMZBBRYSA-N 1 1 321.402 1.879 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)cc1OC ZINC001167278582 732888100 /nfs/dbraw/zinc/88/81/00/732888100.db2.gz NGDCRIKJFNOAOA-VIFPVBQESA-N 1 1 309.322 1.506 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001167355258 733281942 /nfs/dbraw/zinc/28/19/42/733281942.db2.gz XXGPCATZQDVURI-UHFFFAOYSA-N 1 1 314.280 1.406 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167358463 733288795 /nfs/dbraw/zinc/28/87/95/733288795.db2.gz UDTSEPQREYPOCY-UHFFFAOYSA-N 1 1 313.239 1.737 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211587825 735069987 /nfs/dbraw/zinc/06/99/87/735069987.db2.gz ZBGLQCAKIKNWQH-JTQLQIEISA-N 1 1 322.300 1.097 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211587825 735069990 /nfs/dbraw/zinc/06/99/90/735069990.db2.gz ZBGLQCAKIKNWQH-JTQLQIEISA-N 1 1 322.300 1.097 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001035704356 751790840 /nfs/dbraw/zinc/79/08/40/751790840.db2.gz KRQJKAJVEYURNZ-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO Cc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002782134 743423732 /nfs/dbraw/zinc/42/37/32/743423732.db2.gz IMXJDDJWPSFNJV-HUUCEWRRSA-N 1 1 318.377 1.136 20 5 DDBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc[nH]1 ZINC001031543678 746990866 /nfs/dbraw/zinc/99/08/66/746990866.db2.gz FXZIWRLYMKSUGQ-UHFFFAOYSA-N 1 1 314.345 1.785 20 5 DDBDMO CCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031661817 747336760 /nfs/dbraw/zinc/33/67/60/747336760.db2.gz ISSOCRPNZRJOGQ-HZPDHXFCSA-N 1 1 317.389 1.462 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCCCCF)CC1 ZINC001200472919 748265586 /nfs/dbraw/zinc/26/55/86/748265586.db2.gz UQSMSBAGYUUNMZ-CHWSQXEVSA-N 1 1 301.362 1.372 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001034642531 750624919 /nfs/dbraw/zinc/62/49/19/750624919.db2.gz DLADSYVURBIJIT-HBJVGIJOSA-N 1 1 322.365 1.165 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643389 750625420 /nfs/dbraw/zinc/62/54/20/750625420.db2.gz NLLYJFKQJBOUPE-KBUPBQIOSA-N 1 1 318.377 1.264 20 5 DDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169007212 762174923 /nfs/dbraw/zinc/17/49/23/762174923.db2.gz LWUCKTKQSZHBRU-BYNSBNAKSA-N 1 1 317.389 1.713 20 5 DDBDMO Cc1cnc(CN)n1-c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001169028887 762185630 /nfs/dbraw/zinc/18/56/30/762185630.db2.gz JXSHGXKCKIPMNU-UHFFFAOYSA-N 1 1 319.365 1.488 20 5 DDBDMO O=C(c1ccco1)N1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037075 762192580 /nfs/dbraw/zinc/19/25/80/762192580.db2.gz IOZMOAPQUFWNIL-UONOGXRCSA-N 1 1 321.377 1.873 20 5 DDBDMO COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169050671 762206774 /nfs/dbraw/zinc/20/67/74/762206774.db2.gz CHCYGVHIMOSZOM-MGPQQGTHSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139092 760613095 /nfs/dbraw/zinc/61/30/95/760613095.db2.gz QDVNVDLQOVONRG-KBUPBQIOSA-N 1 1 309.410 1.859 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC001170328676 766254015 /nfs/dbraw/zinc/25/40/15/766254015.db2.gz LIYZEEMTGQCZCH-LLVKDONJSA-N 1 1 307.350 1.356 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC001170328676 766254019 /nfs/dbraw/zinc/25/40/19/766254019.db2.gz LIYZEEMTGQCZCH-LLVKDONJSA-N 1 1 307.350 1.356 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334408 766256561 /nfs/dbraw/zinc/25/65/61/766256561.db2.gz DGUXSSZQEXHVRR-DETPVDSQSA-N 1 1 324.377 1.210 20 5 DDBDMO [NH3+]Cc1ncn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001157928115 767334201 /nfs/dbraw/zinc/33/42/01/767334201.db2.gz BGUFAKNRFVWVDL-UHFFFAOYSA-N 1 1 305.685 1.231 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093642136 774940431 /nfs/dbraw/zinc/94/04/31/774940431.db2.gz MRHNXEAVBGGMOT-UHFFFAOYSA-N 1 1 321.312 1.467 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001173227590 777062554 /nfs/dbraw/zinc/06/25/54/777062554.db2.gz RCKIUXRDKGIMCO-YOEHRIQHSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001173235447 777064711 /nfs/dbraw/zinc/06/47/11/777064711.db2.gz XENVBRJAJUWXLR-CORIIIEPSA-N 1 1 303.362 1.594 20 5 DDBDMO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101541641 777232292 /nfs/dbraw/zinc/23/22/92/777232292.db2.gz OZTKHXPCPGOYQW-ZIAGYGMSSA-N 1 1 311.426 1.914 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178860298 779215004 /nfs/dbraw/zinc/21/50/04/779215004.db2.gz AAKIRMXOVBTIJT-LLVKDONJSA-N 1 1 307.354 1.032 20 5 DDBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150368 780479944 /nfs/dbraw/zinc/47/99/44/780479944.db2.gz NSIRQVHNMORPOP-RAIGVLPGSA-N 1 1 314.411 1.368 20 5 DDBDMO CC[N@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)CC1 ZINC001343629530 839838684 /nfs/dbraw/zinc/83/86/84/839838684.db2.gz CUAONRHEHNFTTH-UHFFFAOYSA-N 1 1 310.402 1.243 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001155197978 861830670 /nfs/dbraw/zinc/83/06/70/861830670.db2.gz ZJXVJLVBVZJFAH-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001155197978 861830683 /nfs/dbraw/zinc/83/06/83/861830683.db2.gz ZJXVJLVBVZJFAH-LLVKDONJSA-N 1 1 302.334 1.886 20 5 DDBDMO CC[C@H]1[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021506 850518019 /nfs/dbraw/zinc/51/80/19/850518019.db2.gz LGKQCJPNRMFIDS-AYDFFVQHSA-N 1 1 309.410 1.955 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001122030807 858667847 /nfs/dbraw/zinc/66/78/47/858667847.db2.gz GMAZHVWVUMSMRI-AWEZNQCLSA-N 1 1 304.350 1.367 20 5 DDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)C2)n1 ZINC001156576296 863160907 /nfs/dbraw/zinc/16/09/07/863160907.db2.gz UYSQKEZNDNWMDN-LURJTMIESA-N 1 1 303.775 1.876 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001331052078 864805753 /nfs/dbraw/zinc/80/57/53/864805753.db2.gz TVSFCQGFYAGMDX-PHIMTYICSA-N 1 1 319.390 1.900 20 5 DDBDMO COc1cc(C)nc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001158731744 864867191 /nfs/dbraw/zinc/86/71/91/864867191.db2.gz XCDCZZDVROYCDE-NSHDSACASA-N 1 1 322.365 1.216 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177253 866428090 /nfs/dbraw/zinc/42/80/90/866428090.db2.gz LMOCNBOGSHBWNM-VIFPVBQESA-N 1 1 307.310 1.937 20 5 DDBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001321052233 867265828 /nfs/dbraw/zinc/26/58/28/867265828.db2.gz CWYIFKUFHFDVGC-OWOJBTEDSA-N 1 1 321.362 1.455 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001162689390 867736763 /nfs/dbraw/zinc/73/67/63/867736763.db2.gz FILYUIMRDNKPCC-CYBMUJFWSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001162689390 867736777 /nfs/dbraw/zinc/73/67/77/867736777.db2.gz FILYUIMRDNKPCC-CYBMUJFWSA-N 1 1 302.334 1.886 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162690169 867739160 /nfs/dbraw/zinc/73/91/60/867739160.db2.gz TWVKZBSWVMJOPM-ZDUSSCGKSA-N 1 1 323.349 1.053 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162690169 867739172 /nfs/dbraw/zinc/73/91/72/867739172.db2.gz TWVKZBSWVMJOPM-ZDUSSCGKSA-N 1 1 323.349 1.053 20 5 DDBDMO COc1nc(NCC[C@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162808974 867840637 /nfs/dbraw/zinc/84/06/37/867840637.db2.gz ZPZYKNNTRBBRTC-MRVPVSSYSA-N 1 1 317.296 1.440 20 5 DDBDMO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001162875397 867889274 /nfs/dbraw/zinc/88/92/74/867889274.db2.gz CBUVXFUKLWRRMA-LBPRGKRZSA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001325691041 868256800 /nfs/dbraw/zinc/25/68/00/868256800.db2.gz YOHZLRYXSXHZGR-HZPDHXFCSA-N 1 1 319.405 1.926 20 5 DDBDMO COc1nc(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001163357056 868390889 /nfs/dbraw/zinc/39/08/89/868390889.db2.gz ITRMAYHJJDYVSA-WDEREUQCSA-N 1 1 309.370 1.924 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@](C)(CO)C2)ncc1[N+](=O)[O-] ZINC001164147033 868971347 /nfs/dbraw/zinc/97/13/47/868971347.db2.gz KURRGAUPYLRCJQ-DRDHIDPGSA-N 1 1 306.366 1.731 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC001337837311 869652790 /nfs/dbraw/zinc/65/27/90/869652790.db2.gz ZXRKZUFYVVHDNO-BFHYXJOUSA-N 1 1 303.362 1.973 20 5 DDBDMO C[N@H+]1C[C@@]23CN(C(=O)c4c[nH]nc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001339370268 870465476 /nfs/dbraw/zinc/46/54/76/870465476.db2.gz RCTZVXVTRIFYOT-GASCZTMLSA-N 1 1 319.365 1.266 20 5 DDBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001339553453 870551989 /nfs/dbraw/zinc/55/19/89/870551989.db2.gz OKRCWAWNDRWBSE-AAEUAGOBSA-N 1 1 320.397 1.045 20 5 DDBDMO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001344479188 873018766 /nfs/dbraw/zinc/01/87/66/873018766.db2.gz PAFUHWLJXUOLKJ-LBPRGKRZSA-N 1 1 322.413 1.556 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891824 874300156 /nfs/dbraw/zinc/30/01/56/874300156.db2.gz VNQDRCAGKMQEMJ-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891824 874300168 /nfs/dbraw/zinc/30/01/68/874300168.db2.gz VNQDRCAGKMQEMJ-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001351177305 876101058 /nfs/dbraw/zinc/10/10/58/876101058.db2.gz PIRHQYMHAUDIHI-RYUDHWBXSA-N 1 1 323.397 1.479 20 5 DDBDMO Cc1nc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)ncc1[N+](=O)[O-] ZINC001353016534 877070439 /nfs/dbraw/zinc/07/04/39/877070439.db2.gz DQIMMBYPVMVPMI-CHWSQXEVSA-N 1 1 321.381 1.604 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001358057079 880310706 /nfs/dbraw/zinc/31/07/06/880310706.db2.gz HAQALPNFXSKUHY-QWHCGFSZSA-N 1 1 324.429 1.630 20 5 DDBDMO O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc3[nH+]ccn3c1)C2 ZINC001233756027 887282573 /nfs/dbraw/zinc/28/25/73/887282573.db2.gz VZLXQKLYIDXYIQ-JTQLQIEISA-N 1 1 301.262 1.279 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565893 896504812 /nfs/dbraw/zinc/50/48/12/896504812.db2.gz QUFBCPSGGQNBAJ-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565893 896504822 /nfs/dbraw/zinc/50/48/22/896504822.db2.gz QUFBCPSGGQNBAJ-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](n3cncn3)C1)C2 ZINC001254604342 896527284 /nfs/dbraw/zinc/52/72/84/896527284.db2.gz VUOYQSNAEDPGDC-HOTGVXAUSA-N 1 1 313.361 1.991 20 5 DDBDMO CCN1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610654 896530116 /nfs/dbraw/zinc/53/01/16/896530116.db2.gz MGUOIRDTPNIZHY-UXLLHSPISA-N 1 1 301.390 1.946 20 5 DDBDMO CCN1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610654 896530127 /nfs/dbraw/zinc/53/01/27/896530127.db2.gz MGUOIRDTPNIZHY-UXLLHSPISA-N 1 1 301.390 1.946 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451735505 529388878 /nfs/dbraw/zinc/38/88/78/529388878.db2.gz YHRAJKWSHVWHMP-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357594 231075170 /nfs/dbraw/zinc/07/51/70/231075170.db2.gz DPHARPFYCGAPOD-WCQYABFASA-N 1 1 312.366 1.426 20 5 DDBDMO CSC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249464844 282158164 /nfs/dbraw/zinc/15/81/64/282158164.db2.gz QANAIYGPYLXJFD-PWSUYJOCSA-N 1 1 312.395 1.200 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000296740491 529466275 /nfs/dbraw/zinc/46/62/75/529466275.db2.gz AOLOHBZIJXTDIW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000296740491 529466280 /nfs/dbraw/zinc/46/62/80/529466280.db2.gz AOLOHBZIJXTDIW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072363 231291257 /nfs/dbraw/zinc/29/12/57/231291257.db2.gz WOWDKWGVMPHBNU-GRYCIOLGSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072363 231291263 /nfs/dbraw/zinc/29/12/63/231291263.db2.gz WOWDKWGVMPHBNU-GRYCIOLGSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551640 185302848 /nfs/dbraw/zinc/30/28/48/185302848.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551640 185302849 /nfs/dbraw/zinc/30/28/49/185302849.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551640 185302850 /nfs/dbraw/zinc/30/28/50/185302850.db2.gz NNRGUYRPHWFPJU-QWHCGFSZSA-N 1 1 308.382 1.171 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000412382646 529797357 /nfs/dbraw/zinc/79/73/57/529797357.db2.gz WVEZGGJPCSZJTJ-BVUBDWEXSA-N 1 1 315.373 1.861 20 5 DDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000305789354 529928274 /nfs/dbraw/zinc/92/82/74/529928274.db2.gz ZMDPIFANXRECCK-NSHDSACASA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000305789354 529928275 /nfs/dbraw/zinc/92/82/75/529928275.db2.gz ZMDPIFANXRECCK-NSHDSACASA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000458192871 530054636 /nfs/dbraw/zinc/05/46/36/530054636.db2.gz PHSZNIRWQYUYOC-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293025977 282361277 /nfs/dbraw/zinc/36/12/77/282361277.db2.gz FVSVUIIQRSXRBT-OLZOCXBDSA-N 1 1 310.350 1.181 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)n1 ZINC000286752881 219147448 /nfs/dbraw/zinc/14/74/48/219147448.db2.gz YVELIWOYXVZFRK-ZJUUUORDSA-N 1 1 322.287 1.284 20 5 DDBDMO CN(C(=O)C[N@@H+]1C[C@@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000279783858 215143831 /nfs/dbraw/zinc/14/38/31/215143831.db2.gz NUELTBOJYZHJQD-CYBMUJFWSA-N 1 1 307.350 1.260 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000279783858 215143834 /nfs/dbraw/zinc/14/38/34/215143834.db2.gz NUELTBOJYZHJQD-CYBMUJFWSA-N 1 1 307.350 1.260 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000279795116 215152454 /nfs/dbraw/zinc/15/24/54/215152454.db2.gz DPSVVBSDYMYAOU-UHFFFAOYSA-N 1 1 319.317 1.315 20 5 DDBDMO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000150730685 186061038 /nfs/dbraw/zinc/06/10/38/186061038.db2.gz QOUMYLCGEFQBTB-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO CC[NH+]1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000028707095 352231612 /nfs/dbraw/zinc/23/16/12/352231612.db2.gz VOJOXEKHURHOHZ-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO COc1ccc(C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000052192733 352604559 /nfs/dbraw/zinc/60/45/59/352604559.db2.gz YNSMZYFGRWWYBX-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO COCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054355566 352689240 /nfs/dbraw/zinc/68/92/40/352689240.db2.gz ZMILGEICMGQPKM-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO COCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054355566 352689241 /nfs/dbraw/zinc/68/92/41/352689241.db2.gz ZMILGEICMGQPKM-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000056493674 352775329 /nfs/dbraw/zinc/77/53/29/352775329.db2.gz BXZGLPBLJBNQRI-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO COc1cc(OCC(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000066923943 353025916 /nfs/dbraw/zinc/02/59/16/353025916.db2.gz ANSNQFXRGPFQIE-UHFFFAOYSA-N 1 1 323.349 1.193 20 5 DDBDMO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000173390547 198209175 /nfs/dbraw/zinc/20/91/75/198209175.db2.gz NLXSAWLBIPJLLC-KGLIPLIRSA-N 1 1 306.410 1.881 20 5 DDBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703312 353063720 /nfs/dbraw/zinc/06/37/20/353063720.db2.gz DPLVMRLCLLUMMM-LBPRGKRZSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000068777284 353129346 /nfs/dbraw/zinc/12/93/46/353129346.db2.gz IWUOWCKZLAANKW-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000074316761 353306497 /nfs/dbraw/zinc/30/64/97/353306497.db2.gz MCKTXSDGQWJDLF-GFCCVEGCSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000074316761 353306500 /nfs/dbraw/zinc/30/65/00/353306500.db2.gz MCKTXSDGQWJDLF-GFCCVEGCSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1cc(N(C)CCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074750100 353328353 /nfs/dbraw/zinc/32/83/53/353328353.db2.gz WTPUNDBBWJDCKH-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO Nc1nc(NCCc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000076267887 353410008 /nfs/dbraw/zinc/41/00/08/353410008.db2.gz KLMKKPVGZFVPIA-UHFFFAOYSA-N 1 1 303.326 1.154 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078333224 353511201 /nfs/dbraw/zinc/51/12/01/353511201.db2.gz RILNJIDBPDPUGD-UHFFFAOYSA-N 1 1 303.322 1.701 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000080441103 353608935 /nfs/dbraw/zinc/60/89/35/353608935.db2.gz VFZYMSKBJSTRFK-KGLIPLIRSA-N 1 1 307.350 1.687 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000084259677 353719300 /nfs/dbraw/zinc/71/93/00/353719300.db2.gz CBXNSHIHRSKCQV-HZPDHXFCSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000093333208 353895720 /nfs/dbraw/zinc/89/57/20/353895720.db2.gz PSOCEUPQLBYMFR-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000093333208 353895722 /nfs/dbraw/zinc/89/57/22/353895722.db2.gz PSOCEUPQLBYMFR-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000305268299 354470027 /nfs/dbraw/zinc/47/00/27/354470027.db2.gz ZIFYFSVNYIZTMC-CQSZACIVSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305268299 354470030 /nfs/dbraw/zinc/47/00/30/354470030.db2.gz ZIFYFSVNYIZTMC-CQSZACIVSA-N 1 1 307.350 1.544 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000588810196 354938003 /nfs/dbraw/zinc/93/80/03/354938003.db2.gz WOZXAGDNWDCBAN-CYBMUJFWSA-N 1 1 323.397 1.421 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000588830342 354940198 /nfs/dbraw/zinc/94/01/98/354940198.db2.gz XXOSGUDASVGQJY-HNNXBMFYSA-N 1 1 318.377 1.023 20 5 DDBDMO C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045622 355043563 /nfs/dbraw/zinc/04/35/63/355043563.db2.gz SKKDWERJXVPTKH-LNSITVRQSA-N 1 1 303.362 1.861 20 5 DDBDMO CCOc1cc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972772 213210751 /nfs/dbraw/zinc/21/07/51/213210751.db2.gz XFELUBQVIIKZMC-RYUDHWBXSA-N 1 1 312.366 1.557 20 5 DDBDMO CC[C@H]1COC(C)(C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593058446 355782934 /nfs/dbraw/zinc/78/29/34/355782934.db2.gz MFFZKZYJXOIWHI-LBPRGKRZSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@H]1COC(C)(C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593058446 355782936 /nfs/dbraw/zinc/78/29/36/355782936.db2.gz MFFZKZYJXOIWHI-LBPRGKRZSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CC)CO1 ZINC000593060284 355783659 /nfs/dbraw/zinc/78/36/59/355783659.db2.gz ZYKUJZVPGOESJM-MRVWCRGKSA-N 1 1 312.370 1.042 20 5 DDBDMO C[C@H](CCO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593108851 355800864 /nfs/dbraw/zinc/80/08/64/355800864.db2.gz DRABRPAREPFKRF-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593108851 355800866 /nfs/dbraw/zinc/80/08/66/355800866.db2.gz DRABRPAREPFKRF-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000593503347 355905529 /nfs/dbraw/zinc/90/55/29/355905529.db2.gz IJLVTUFJJALWPH-AWEZNQCLSA-N 1 1 315.377 1.691 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593588730 355935164 /nfs/dbraw/zinc/93/51/64/355935164.db2.gz LXBKQCNUTCIOFL-IAQYHMDHSA-N 1 1 321.352 1.829 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593679839 355964760 /nfs/dbraw/zinc/96/47/60/355964760.db2.gz MWJKRRGYKLRDAX-SJDLMVEWSA-N 1 1 303.362 1.359 20 5 DDBDMO CN1C[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000593991707 356081159 /nfs/dbraw/zinc/08/11/59/356081159.db2.gz JAMVJJOKAFLGAC-CQSZACIVSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063066 356103297 /nfs/dbraw/zinc/10/32/97/356103297.db2.gz IGXQALUFLNGGLL-DGCLKSJQSA-N 1 1 310.350 1.180 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000594569034 356252025 /nfs/dbraw/zinc/25/20/25/356252025.db2.gz XTUIJDHYFLKTKS-OAHLLOKOSA-N 1 1 304.350 1.771 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000594571556 356252547 /nfs/dbraw/zinc/25/25/47/356252547.db2.gz QREGUCLXLOXUEE-CYBMUJFWSA-N 1 1 304.350 1.771 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000565207328 304052770 /nfs/dbraw/zinc/05/27/70/304052770.db2.gz ZKNSVKQLTJBPPV-UHFFFAOYSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1(=O)=O ZINC000594976969 356367014 /nfs/dbraw/zinc/36/70/14/356367014.db2.gz RGECIYWDELVJQY-ONGXEEELSA-N 1 1 316.354 1.789 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595446558 356495581 /nfs/dbraw/zinc/49/55/81/356495581.db2.gz MDDYBXVNNXUSEW-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000595465372 356503207 /nfs/dbraw/zinc/50/32/07/356503207.db2.gz MKWJRKXPBKYADT-UHFFFAOYSA-N 1 1 305.313 1.779 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081555453 192291316 /nfs/dbraw/zinc/29/13/16/192291316.db2.gz UDQQFZHOAYQJST-LLVKDONJSA-N 1 1 322.365 1.156 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742438 356631172 /nfs/dbraw/zinc/63/11/72/356631172.db2.gz GMDNDLJIJKUQOS-UTUOFQBUSA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1CCO ZINC000595706887 356617036 /nfs/dbraw/zinc/61/70/36/356617036.db2.gz YEYWJSSLLYJQPZ-OCCSQVGLSA-N 1 1 309.366 1.239 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595768241 356644780 /nfs/dbraw/zinc/64/47/80/356644780.db2.gz FWCWDMJZQBLPDO-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595759566 356640637 /nfs/dbraw/zinc/64/06/37/356640637.db2.gz WVJOOFVTMBOKQN-XHDPSFHLSA-N 1 1 305.334 1.014 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595759566 356640640 /nfs/dbraw/zinc/64/06/40/356640640.db2.gz WVJOOFVTMBOKQN-XHDPSFHLSA-N 1 1 305.334 1.014 20 5 DDBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595851957 356678821 /nfs/dbraw/zinc/67/88/21/356678821.db2.gz XDSVTKUGPDMXES-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO C[N@H+](CC1=CCSC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595887554 356691829 /nfs/dbraw/zinc/69/18/29/356691829.db2.gz FSHRGEMUCLUONC-UHFFFAOYSA-N 1 1 307.375 1.799 20 5 DDBDMO C[N@@H+](CC1=CCSC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595887554 356691836 /nfs/dbraw/zinc/69/18/36/356691836.db2.gz FSHRGEMUCLUONC-UHFFFAOYSA-N 1 1 307.375 1.799 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000597709975 357296354 /nfs/dbraw/zinc/29/63/54/357296354.db2.gz FLWCXBHYNRBZHP-OAHLLOKOSA-N 1 1 320.349 1.253 20 5 DDBDMO NC(=O)c1ccnc(NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163073 357834729 /nfs/dbraw/zinc/83/47/29/357834729.db2.gz ATCHAGJVUDDUOQ-LLVKDONJSA-N 1 1 319.365 1.518 20 5 DDBDMO CCOC(=O)C[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000599404967 357924092 /nfs/dbraw/zinc/92/40/92/357924092.db2.gz OMUCAOFIQDTGEF-CQSZACIVSA-N 1 1 310.350 1.383 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000599681350 358022819 /nfs/dbraw/zinc/02/28/19/358022819.db2.gz NRJLNRSFURFSSP-PSOPSSQASA-N 1 1 305.334 1.379 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000599681350 358022822 /nfs/dbraw/zinc/02/28/22/358022822.db2.gz NRJLNRSFURFSSP-PSOPSSQASA-N 1 1 305.334 1.379 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000599939517 358086432 /nfs/dbraw/zinc/08/64/32/358086432.db2.gz WCQSNWKSFXQUOO-OLZOCXBDSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000600315510 358193994 /nfs/dbraw/zinc/19/39/94/358193994.db2.gz ULSKKJRMNYOBSY-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO CCN(C)C(=O)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601153518 358424153 /nfs/dbraw/zinc/42/41/53/358424153.db2.gz YTZSFHSIKZECCO-SNVBAGLBSA-N 1 1 302.334 1.844 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979247 358763957 /nfs/dbraw/zinc/76/39/57/358763957.db2.gz BODVGRNJWAMGAQ-GFCCVEGCSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979247 358763961 /nfs/dbraw/zinc/76/39/61/358763961.db2.gz BODVGRNJWAMGAQ-GFCCVEGCSA-N 1 1 302.334 1.256 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000602797806 359199287 /nfs/dbraw/zinc/19/92/87/359199287.db2.gz DOBVEGQYLQRIPK-CYBMUJFWSA-N 1 1 319.369 1.103 20 5 DDBDMO CN(CC1CC1)C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962124 359325090 /nfs/dbraw/zinc/32/50/90/359325090.db2.gz HTIWFGDMMXAXOX-INIZCTEOSA-N 1 1 321.377 1.260 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)C1CC1 ZINC000609846193 360355217 /nfs/dbraw/zinc/35/52/17/360355217.db2.gz ZCAPXHKVJCNCTR-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)C1CC1 ZINC000609846193 360355225 /nfs/dbraw/zinc/35/52/25/360355225.db2.gz ZCAPXHKVJCNCTR-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO Cc1cnc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284014 360408532 /nfs/dbraw/zinc/40/85/32/360408532.db2.gz YNDDSZDYEABKAX-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1cnc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000610284014 360408536 /nfs/dbraw/zinc/40/85/36/360408536.db2.gz YNDDSZDYEABKAX-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359027168 299311058 /nfs/dbraw/zinc/31/10/58/299311058.db2.gz NAHPDXIYIUGYBF-MNOVXSKESA-N 1 1 307.354 1.358 20 5 DDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000611033065 360608342 /nfs/dbraw/zinc/60/83/42/360608342.db2.gz SWUBZSDIZPKKBX-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000611033065 360608347 /nfs/dbraw/zinc/60/83/47/360608347.db2.gz SWUBZSDIZPKKBX-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO CCOC(=O)C[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611237144 360672744 /nfs/dbraw/zinc/67/27/44/360672744.db2.gz ABZVBMOEDKMAOV-HNNXBMFYSA-N 1 1 322.361 1.873 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030668 360895066 /nfs/dbraw/zinc/89/50/66/360895066.db2.gz WIWJMUGNOLWRJS-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO C[N@H+](C1CC(O)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000612741059 361129779 /nfs/dbraw/zinc/12/97/79/361129779.db2.gz ZKZLFYRTERGFDY-RUXDESIVSA-N 1 1 305.334 1.155 20 5 DDBDMO C[N@@H+](C1CC(O)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000612741059 361129781 /nfs/dbraw/zinc/12/97/81/361129781.db2.gz ZKZLFYRTERGFDY-RUXDESIVSA-N 1 1 305.334 1.155 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194632428 201265999 /nfs/dbraw/zinc/26/59/99/201265999.db2.gz WTYVKCHSCUIKMR-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000619077475 363888178 /nfs/dbraw/zinc/88/81/78/363888178.db2.gz HKOHEUFVBHZWMF-OICCZTGUSA-N 1 1 301.346 1.820 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252420 363945777 /nfs/dbraw/zinc/94/57/77/363945777.db2.gz KYKRSZAHBNJPOE-ZJUUUORDSA-N 1 1 313.354 1.915 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873381 364170402 /nfs/dbraw/zinc/17/04/02/364170402.db2.gz IIIDYFHGYCPEHA-CYBMUJFWSA-N 1 1 318.377 1.023 20 5 DDBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000275137172 212143373 /nfs/dbraw/zinc/14/33/73/212143373.db2.gz CTVRAGFRSXRFET-JTQLQIEISA-N 1 1 324.362 1.442 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359276122 299391313 /nfs/dbraw/zinc/39/13/13/299391313.db2.gz CJSTXIZJDLWXAY-CHWSQXEVSA-N 1 1 318.377 1.383 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000349898035 284099098 /nfs/dbraw/zinc/09/90/98/284099098.db2.gz RWENRSGTFMYDGE-TXEJJXNPSA-N 1 1 323.397 1.806 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCCC[C@H]1C ZINC000350014787 284132175 /nfs/dbraw/zinc/13/21/75/284132175.db2.gz QMUXUGYLPUOYTD-MNOVXSKESA-N 1 1 321.381 1.565 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566416442 304152809 /nfs/dbraw/zinc/15/28/09/304152809.db2.gz PILRIFQDCQDHJD-UHFFFAOYSA-N 1 1 317.349 1.649 20 5 DDBDMO CC(C)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200783 284308193 /nfs/dbraw/zinc/30/81/93/284308193.db2.gz JOUNYNDRUJWCDV-ZBFHGGJFSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200783 284308194 /nfs/dbraw/zinc/30/81/94/284308194.db2.gz JOUNYNDRUJWCDV-ZBFHGGJFSA-N 1 1 324.377 1.691 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1C[C@H](C)O ZINC000266392091 205314465 /nfs/dbraw/zinc/31/44/65/205314465.db2.gz OEAXAAZFFRTDEK-QWHCGFSZSA-N 1 1 323.393 1.885 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000267465601 206087956 /nfs/dbraw/zinc/08/79/56/206087956.db2.gz RVBYTOZUBMSKCM-LLVKDONJSA-N 1 1 318.337 1.436 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566970894 304190742 /nfs/dbraw/zinc/19/07/42/304190742.db2.gz FTBPAXBKLFNIOO-DZGCQCFKSA-N 1 1 321.377 1.648 20 5 DDBDMO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267855047 206305529 /nfs/dbraw/zinc/30/55/29/206305529.db2.gz DIMYOQKKXHQPKZ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267855047 206305531 /nfs/dbraw/zinc/30/55/31/206305531.db2.gz DIMYOQKKXHQPKZ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000336830106 249241720 /nfs/dbraw/zinc/24/17/20/249241720.db2.gz BLMVNUDDLQABRB-JTQLQIEISA-N 1 1 302.327 1.401 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000041423200 183190778 /nfs/dbraw/zinc/19/07/78/183190778.db2.gz YQTYMTCHQVOUQL-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO CNc1c(C(=O)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000336896634 249284459 /nfs/dbraw/zinc/28/44/59/249284459.db2.gz OGOYVRRMSDWJKX-UHFFFAOYSA-N 1 1 318.377 1.947 20 5 DDBDMO CNc1c(C(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000336867065 249274375 /nfs/dbraw/zinc/27/43/75/249274375.db2.gz QYVBXEDXCLXCMR-UHFFFAOYSA-N 1 1 324.406 1.415 20 5 DDBDMO COc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285209727 218334853 /nfs/dbraw/zinc/33/48/53/218334853.db2.gz WYZSXQOYXVBSFE-KGLIPLIRSA-N 1 1 307.350 1.513 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340590701 251127811 /nfs/dbraw/zinc/12/78/11/251127811.db2.gz GIXNUUIIVGICJX-CYBMUJFWSA-N 1 1 314.345 1.927 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939982 251290705 /nfs/dbraw/zinc/29/07/05/251290705.db2.gz XTJUVCLSYINTFS-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939982 251290708 /nfs/dbraw/zinc/29/07/08/251290708.db2.gz XTJUVCLSYINTFS-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000341004210 251329735 /nfs/dbraw/zinc/32/97/35/251329735.db2.gz AMLIPNGNJFPAGQ-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000341004210 251329738 /nfs/dbraw/zinc/32/97/38/251329738.db2.gz AMLIPNGNJFPAGQ-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000269175278 207296453 /nfs/dbraw/zinc/29/64/53/207296453.db2.gz BMJWXEPDFSPFTO-GZMMTYOYSA-N 1 1 303.322 1.280 20 5 DDBDMO CCOC(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157688802 197207935 /nfs/dbraw/zinc/20/79/35/197207935.db2.gz UWWIKBYGZFZYJZ-NSHDSACASA-N 1 1 311.342 1.002 20 5 DDBDMO CCOC(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157688802 197207936 /nfs/dbraw/zinc/20/79/36/197207936.db2.gz UWWIKBYGZFZYJZ-NSHDSACASA-N 1 1 311.342 1.002 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OCO2 ZINC000157437548 197187187 /nfs/dbraw/zinc/18/71/87/197187187.db2.gz NDJMQWKPDBQKPL-UHFFFAOYSA-N 1 1 304.306 1.652 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000090553168 285221196 /nfs/dbraw/zinc/22/11/96/285221196.db2.gz OEXYANWFTKDWMP-CQSZACIVSA-N 1 1 302.334 1.922 20 5 DDBDMO Cn1nccc1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705957 285242228 /nfs/dbraw/zinc/24/22/28/285242228.db2.gz LWASTBWFVCCXNP-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO Cn1nccc1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705957 285242229 /nfs/dbraw/zinc/24/22/29/285242229.db2.gz LWASTBWFVCCXNP-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000422711137 533222396 /nfs/dbraw/zinc/22/23/96/533222396.db2.gz GRAUZRNZMPFUIJ-YPMHNXCESA-N 1 1 309.366 1.460 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490640128 533312806 /nfs/dbraw/zinc/31/28/06/533312806.db2.gz RSVOSTGBPXYDBS-HJWRWDBZSA-N 1 1 321.377 1.693 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000452065508 533677253 /nfs/dbraw/zinc/67/72/53/533677253.db2.gz COODFZNKXOBVAJ-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000452065508 533677260 /nfs/dbraw/zinc/67/72/60/533677260.db2.gz COODFZNKXOBVAJ-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000068369204 406636985 /nfs/dbraw/zinc/63/69/85/406636985.db2.gz PAINXGIISWQYDO-ZDUSSCGKSA-N 1 1 320.349 1.182 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069141068 406683739 /nfs/dbraw/zinc/68/37/39/406683739.db2.gz JZMDMKMGNUAUIR-SNVBAGLBSA-N 1 1 318.782 1.915 20 5 DDBDMO COCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359346 406986828 /nfs/dbraw/zinc/98/68/28/406986828.db2.gz HKJMASIKHQSGPE-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000123963718 407344444 /nfs/dbraw/zinc/34/44/44/407344444.db2.gz KFCVBOGQZZBZII-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106882102 407365227 /nfs/dbraw/zinc/36/52/27/407365227.db2.gz IJFCKPXCOALEPL-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000112407458 407428901 /nfs/dbraw/zinc/42/89/01/407428901.db2.gz DVERZKQONGQTAZ-UHFFFAOYSA-N 1 1 309.366 1.238 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000271012741 407470529 /nfs/dbraw/zinc/47/05/29/407470529.db2.gz ZWMNPPCSHVPJIQ-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000271012741 407470536 /nfs/dbraw/zinc/47/05/36/407470536.db2.gz ZWMNPPCSHVPJIQ-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000271375864 407659761 /nfs/dbraw/zinc/65/97/61/407659761.db2.gz WPFUZZUGILPNHX-AWEZNQCLSA-N 1 1 306.366 1.655 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000115432796 407681636 /nfs/dbraw/zinc/68/16/36/407681636.db2.gz NPEXMZSAIMIWHV-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261984787 407702770 /nfs/dbraw/zinc/70/27/70/407702770.db2.gz AVGVVOVSORCOSH-CZUORRHYSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261984787 407702774 /nfs/dbraw/zinc/70/27/74/407702774.db2.gz AVGVVOVSORCOSH-CZUORRHYSA-N 1 1 304.394 1.635 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000152912811 407713275 /nfs/dbraw/zinc/71/32/75/407713275.db2.gz DBQKFHXHLXHPHO-CYBMUJFWSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000152912811 407713283 /nfs/dbraw/zinc/71/32/83/407713283.db2.gz DBQKFHXHLXHPHO-CYBMUJFWSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCn3ccnc3)C2)nc1 ZINC000131884085 407756581 /nfs/dbraw/zinc/75/65/81/407756581.db2.gz WXNDUIAWACCLGF-LBPRGKRZSA-N 1 1 302.338 1.373 20 5 DDBDMO CC(C)[C@](C)(C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236673237 407745581 /nfs/dbraw/zinc/74/55/81/407745581.db2.gz OLBWIPJUNHXECY-AWEZNQCLSA-N 1 1 305.338 1.574 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272242301 407830331 /nfs/dbraw/zinc/83/03/31/407830331.db2.gz XUHORKZOQHLCMZ-JTQLQIEISA-N 1 1 309.370 1.429 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153599529 407856888 /nfs/dbraw/zinc/85/68/88/407856888.db2.gz XZLWSHYLQXHSPL-OAHLLOKOSA-N 1 1 305.334 1.306 20 5 DDBDMO C[N@@H+](CCOCC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000268118591 407899262 /nfs/dbraw/zinc/89/92/62/407899262.db2.gz NKVCYIWJGIUSIX-OAHLLOKOSA-N 1 1 324.377 1.693 20 5 DDBDMO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000118129259 407899667 /nfs/dbraw/zinc/89/96/67/407899667.db2.gz HVSPGFSHJGWPNY-JTQLQIEISA-N 1 1 320.349 1.132 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC(C)(C)O)CC1 ZINC000172824321 407850922 /nfs/dbraw/zinc/85/09/22/407850922.db2.gz LIHQKPDUUIDJMX-UHFFFAOYSA-N 1 1 311.386 1.013 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151151 407917113 /nfs/dbraw/zinc/91/71/13/407917113.db2.gz UQUPASLZXMTSEW-XHDPSFHLSA-N 1 1 318.377 1.877 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272467538 407934163 /nfs/dbraw/zinc/93/41/63/407934163.db2.gz WIABJMJPDXLUSI-MNOVXSKESA-N 1 1 309.370 1.131 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154376844 408027879 /nfs/dbraw/zinc/02/78/79/408027879.db2.gz IPAQUJKJTJLGBX-GXTWGEPZSA-N 1 1 308.334 1.513 20 5 DDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000245838673 408074978 /nfs/dbraw/zinc/07/49/78/408074978.db2.gz JFRZUXAAKHHOBU-MRXNPFEDSA-N 1 1 315.377 1.780 20 5 DDBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@H](C)C1 ZINC000245853958 408078254 /nfs/dbraw/zinc/07/82/54/408078254.db2.gz DGUGWEBIWSYPPM-WDEREUQCSA-N 1 1 309.370 1.179 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175267117 408091494 /nfs/dbraw/zinc/09/14/94/408091494.db2.gz XGIOTJLJYDQQST-UHFFFAOYSA-N 1 1 324.381 1.362 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269301479 408260612 /nfs/dbraw/zinc/26/06/12/408260612.db2.gz USIPWXOTPRHTAA-IINYFYTJSA-N 1 1 307.350 1.713 20 5 DDBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269301479 408260620 /nfs/dbraw/zinc/26/06/20/408260620.db2.gz USIPWXOTPRHTAA-IINYFYTJSA-N 1 1 307.350 1.713 20 5 DDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)(F)C[NH3+] ZINC000190253592 408201616 /nfs/dbraw/zinc/20/16/16/408201616.db2.gz CWLHQIZXACIOSH-MRVPVSSYSA-N 1 1 319.333 1.786 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)CO ZINC000131843119 162024634 /nfs/dbraw/zinc/02/46/34/162024634.db2.gz HYFSYQVTKTYMEF-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190896228 408337600 /nfs/dbraw/zinc/33/76/00/408337600.db2.gz UQBLICXTDQIMAN-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000247320480 408450448 /nfs/dbraw/zinc/45/04/48/408450448.db2.gz SIUOQMCXZLWAGP-WCQYABFASA-N 1 1 318.377 1.733 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183576400 408444263 /nfs/dbraw/zinc/44/42/63/408444263.db2.gz IACFOOXPKRGZNF-UHFFFAOYSA-N 1 1 311.342 1.080 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264438278 408487979 /nfs/dbraw/zinc/48/79/79/408487979.db2.gz BJYCJJTYMZGVIA-GBXSZLQWSA-N 1 1 319.361 1.445 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177087980 408515774 /nfs/dbraw/zinc/51/57/74/408515774.db2.gz LOLMANGLGOBSRZ-NEPJUHHUSA-N 1 1 319.361 1.715 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421239 408529611 /nfs/dbraw/zinc/52/96/11/408529611.db2.gz GDVVUGMASBDFLJ-GXFFZTMASA-N 1 1 307.350 1.429 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000248130205 408537277 /nfs/dbraw/zinc/53/72/77/408537277.db2.gz OJFLDAZPXYRQNP-WCQYABFASA-N 1 1 318.377 1.733 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192528862 408605512 /nfs/dbraw/zinc/60/55/12/408605512.db2.gz NSUXNQQTATYPGL-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248697399 408617945 /nfs/dbraw/zinc/61/79/45/408617945.db2.gz ARTFGOJESFOSBV-CRWXNKLISA-N 1 1 324.377 1.568 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248955378 408666912 /nfs/dbraw/zinc/66/69/12/408666912.db2.gz QCZUFQJSBNLLME-CHWSQXEVSA-N 1 1 312.366 1.427 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270848152 408707321 /nfs/dbraw/zinc/70/73/21/408707321.db2.gz GGODDCBHAVZKGY-YWPYICTPSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270848152 408707326 /nfs/dbraw/zinc/70/73/26/408707326.db2.gz GGODDCBHAVZKGY-YWPYICTPSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000251947652 408790522 /nfs/dbraw/zinc/79/05/22/408790522.db2.gz UJNKHPMKFFUXTK-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000251947652 408790525 /nfs/dbraw/zinc/79/05/25/408790525.db2.gz UJNKHPMKFFUXTK-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000290945963 408855628 /nfs/dbraw/zinc/85/56/28/408855628.db2.gz MCGCKPSVYFDHEJ-UHFFFAOYSA-N 1 1 321.312 1.792 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277368847 408928341 /nfs/dbraw/zinc/92/83/41/408928341.db2.gz CWCTUDUOHDYKCQ-LLVKDONJSA-N 1 1 323.349 1.054 20 5 DDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000291786632 408923796 /nfs/dbraw/zinc/92/37/96/408923796.db2.gz GCSVZFBWGKJAMX-SNVBAGLBSA-N 1 1 319.365 1.930 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291786632 408923797 /nfs/dbraw/zinc/92/37/97/408923797.db2.gz GCSVZFBWGKJAMX-SNVBAGLBSA-N 1 1 319.365 1.930 20 5 DDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291786632 408923800 /nfs/dbraw/zinc/92/38/00/408923800.db2.gz GCSVZFBWGKJAMX-SNVBAGLBSA-N 1 1 319.365 1.930 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000194712288 163293883 /nfs/dbraw/zinc/29/38/83/163293883.db2.gz PJYZLSJTGKKXSW-GFCCVEGCSA-N 1 1 306.366 1.607 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000277609425 408976389 /nfs/dbraw/zinc/97/63/89/408976389.db2.gz PTADHGHCHHJEKH-UHFFFAOYSA-N 1 1 319.361 1.771 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000277791498 409013025 /nfs/dbraw/zinc/01/30/25/409013025.db2.gz NJIXGLTXAXHXQR-VHSXEESVSA-N 1 1 321.337 1.022 20 5 DDBDMO O=c1[n-]nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912251 409237571 /nfs/dbraw/zinc/23/75/71/409237571.db2.gz GCMXKRCZPFAPHK-NSHDSACASA-N 1 1 304.306 1.651 20 5 DDBDMO O=c1[n-]nc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000283912251 409237575 /nfs/dbraw/zinc/23/75/75/409237575.db2.gz GCMXKRCZPFAPHK-NSHDSACASA-N 1 1 304.306 1.651 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295273011 409409914 /nfs/dbraw/zinc/40/99/14/409409914.db2.gz GZDQYZMAITWICJ-NSHDSACASA-N 1 1 318.377 1.733 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCNC(=O)CC1 ZINC000295309604 409427425 /nfs/dbraw/zinc/42/74/25/409427425.db2.gz NDKHSRNLNHXCRU-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000317417114 164026973 /nfs/dbraw/zinc/02/69/73/164026973.db2.gz YIWQBNGOTMTALC-QWRGUYRKSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408371886 164310581 /nfs/dbraw/zinc/31/05/81/164310581.db2.gz FXHIXPCNCAHPPI-GFCCVEGCSA-N 1 1 307.354 1.049 20 5 DDBDMO COC[C@@]1(C)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296906838 409696990 /nfs/dbraw/zinc/69/69/90/409696990.db2.gz WALOIXWUGDGSFI-INIZCTEOSA-N 1 1 321.377 1.916 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296906838 409696996 /nfs/dbraw/zinc/69/69/96/409696996.db2.gz WALOIXWUGDGSFI-INIZCTEOSA-N 1 1 321.377 1.916 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354117692 409669705 /nfs/dbraw/zinc/66/97/05/409669705.db2.gz HJPSVXRXXCGWQL-NSHDSACASA-N 1 1 320.349 1.263 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354117692 409669716 /nfs/dbraw/zinc/66/97/16/409669716.db2.gz HJPSVXRXXCGWQL-NSHDSACASA-N 1 1 320.349 1.263 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356867444 409679402 /nfs/dbraw/zinc/67/94/02/409679402.db2.gz YRBZYJRZROCSEU-WDEREUQCSA-N 1 1 309.341 1.827 20 5 DDBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663731 409747914 /nfs/dbraw/zinc/74/79/14/409747914.db2.gz OSTXSGJXVVBHRF-CHWSQXEVSA-N 1 1 321.381 1.269 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346144007 409819307 /nfs/dbraw/zinc/81/93/07/409819307.db2.gz UCIWFUGLJSCOKH-QWRGUYRKSA-N 1 1 323.397 1.873 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297883135 410035596 /nfs/dbraw/zinc/03/55/96/410035596.db2.gz VYUGSGFDBIFBLQ-OAHLLOKOSA-N 1 1 319.365 1.939 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1cccc(C(N)=O)c1[N+](=O)[O-])CC2 ZINC000342930292 410006381 /nfs/dbraw/zinc/00/63/81/410006381.db2.gz HFZZGVLDCQMDOO-UHFFFAOYSA-N 1 1 318.377 1.758 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339779712 410453886 /nfs/dbraw/zinc/45/38/86/410453886.db2.gz XGRTVAHADKJEEF-HNNXBMFYSA-N 1 1 321.377 1.648 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339779712 410453892 /nfs/dbraw/zinc/45/38/92/410453892.db2.gz XGRTVAHADKJEEF-HNNXBMFYSA-N 1 1 321.377 1.648 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000347361672 410495737 /nfs/dbraw/zinc/49/57/37/410495737.db2.gz PWMBVKBYKCWAIX-LWMSPQMPSA-N 1 1 304.350 1.741 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000343600608 410563931 /nfs/dbraw/zinc/56/39/31/410563931.db2.gz DNECLYPHESCCPF-LLVKDONJSA-N 1 1 313.379 1.140 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000343600608 410563938 /nfs/dbraw/zinc/56/39/38/410563938.db2.gz DNECLYPHESCCPF-LLVKDONJSA-N 1 1 313.379 1.140 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000299577851 410597106 /nfs/dbraw/zinc/59/71/06/410597106.db2.gz CMROFYANZBABHR-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000334042911 410626225 /nfs/dbraw/zinc/62/62/25/410626225.db2.gz ZXBBAYIHMVIKSX-QWRGUYRKSA-N 1 1 307.350 1.816 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430497 410719775 /nfs/dbraw/zinc/71/97/75/410719775.db2.gz QEUQLFADGMXJQH-YPMHNXCESA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330597689 410811452 /nfs/dbraw/zinc/81/14/52/410811452.db2.gz SJQMLWYEKVHNTN-RYUDHWBXSA-N 1 1 307.350 1.525 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343952821 410845184 /nfs/dbraw/zinc/84/51/84/410845184.db2.gz BQQWCTUQONNCHW-SNVBAGLBSA-N 1 1 307.354 1.375 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000331090876 410941763 /nfs/dbraw/zinc/94/17/63/410941763.db2.gz HQMPBVHNIDDHKC-JTQLQIEISA-N 1 1 307.350 1.688 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000331090876 410941770 /nfs/dbraw/zinc/94/17/70/410941770.db2.gz HQMPBVHNIDDHKC-JTQLQIEISA-N 1 1 307.350 1.688 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000353490953 411028388 /nfs/dbraw/zinc/02/83/88/411028388.db2.gz LOKGZRXUJWUTON-GHMZBOCLSA-N 1 1 321.381 1.517 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000373742218 418454696 /nfs/dbraw/zinc/45/46/96/418454696.db2.gz OPLAMDZBEDBQRD-GFCCVEGCSA-N 1 1 311.357 1.622 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000374858534 418570621 /nfs/dbraw/zinc/57/06/21/418570621.db2.gz CPXWSYPIVISGNT-CYBMUJFWSA-N 1 1 309.341 1.640 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375034706 418592347 /nfs/dbraw/zinc/59/23/47/418592347.db2.gz DDUATUHTINATFK-HIFRSBDPSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000361420905 418649823 /nfs/dbraw/zinc/64/98/23/418649823.db2.gz QAXSHOGOBAIZDJ-ZDUSSCGKSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000361420905 418649825 /nfs/dbraw/zinc/64/98/25/418649825.db2.gz QAXSHOGOBAIZDJ-ZDUSSCGKSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361563069 418678449 /nfs/dbraw/zinc/67/84/49/418678449.db2.gz FAFSMDULHGYLIK-AWEZNQCLSA-N 1 1 303.322 1.168 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361563069 418678452 /nfs/dbraw/zinc/67/84/52/418678452.db2.gz FAFSMDULHGYLIK-AWEZNQCLSA-N 1 1 303.322 1.168 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000387549063 418743492 /nfs/dbraw/zinc/74/34/92/418743492.db2.gz AZBCDJHDDZYUCH-NSHDSACASA-N 1 1 306.366 1.637 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000362057540 418745663 /nfs/dbraw/zinc/74/56/63/418745663.db2.gz LEZLKVIGXIMEKZ-LBPRGKRZSA-N 1 1 306.366 1.917 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[N@@H+]3CCOC[C@@H]3C1)CCN2 ZINC000365544871 418874206 /nfs/dbraw/zinc/87/42/06/418874206.db2.gz IJPJDSFDLITJKK-NSHDSACASA-N 1 1 304.350 1.084 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[N@H+]3CCOC[C@@H]3C1)CCN2 ZINC000365544871 418874208 /nfs/dbraw/zinc/87/42/08/418874208.db2.gz IJPJDSFDLITJKK-NSHDSACASA-N 1 1 304.350 1.084 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000365614258 418883086 /nfs/dbraw/zinc/88/30/86/418883086.db2.gz SFDGPOYPMCZMPE-JTQLQIEISA-N 1 1 317.305 1.873 20 5 DDBDMO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280828 418850741 /nfs/dbraw/zinc/85/07/41/418850741.db2.gz GGUXTZHUNZNGBI-STQMWFEESA-N 1 1 323.397 1.685 20 5 DDBDMO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280828 418850744 /nfs/dbraw/zinc/85/07/44/418850744.db2.gz GGUXTZHUNZNGBI-STQMWFEESA-N 1 1 323.397 1.685 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000411511614 418910692 /nfs/dbraw/zinc/91/06/92/418910692.db2.gz ZDUDCGUBPACXBA-HNNXBMFYSA-N 1 1 323.349 1.007 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411616176 419363387 /nfs/dbraw/zinc/36/33/87/419363387.db2.gz MJKWDGBLWRBLEQ-LSDHHAIUSA-N 1 1 303.362 1.909 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000425919105 419368015 /nfs/dbraw/zinc/36/80/15/419368015.db2.gz ATZCXMNOHBSQQA-OAHLLOKOSA-N 1 1 308.334 1.808 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420940660 419369198 /nfs/dbraw/zinc/36/91/98/419369198.db2.gz NAVSSGOONGCSGG-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420940660 419369204 /nfs/dbraw/zinc/36/92/04/419369204.db2.gz NAVSSGOONGCSGG-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)n1 ZINC000411948334 419515871 /nfs/dbraw/zinc/51/58/71/419515871.db2.gz PQNWEPGZLRNRRD-KBPBESRZSA-N 1 1 302.334 1.599 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000412029064 419572234 /nfs/dbraw/zinc/57/22/34/419572234.db2.gz CKWOCFPCJRPCEB-RISCZKNCSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000412029064 419572240 /nfs/dbraw/zinc/57/22/40/419572240.db2.gz CKWOCFPCJRPCEB-RISCZKNCSA-N 1 1 319.361 1.187 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000430203282 420090703 /nfs/dbraw/zinc/09/07/03/420090703.db2.gz OHQQPIDLZFQCSO-UHFFFAOYSA-N 1 1 307.350 1.691 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000433748448 420253975 /nfs/dbraw/zinc/25/39/75/420253975.db2.gz LCBQWOIFOLYZEF-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000433748448 420253977 /nfs/dbraw/zinc/25/39/77/420253977.db2.gz LCBQWOIFOLYZEF-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000433748448 420253981 /nfs/dbraw/zinc/25/39/81/420253981.db2.gz LCBQWOIFOLYZEF-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO [NH3+]C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000423943140 420278949 /nfs/dbraw/zinc/27/89/49/420278949.db2.gz QNYIVRAANRGPJL-ZDUSSCGKSA-N 1 1 317.349 1.718 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015908 420306913 /nfs/dbraw/zinc/30/69/13/420306913.db2.gz NIMYRURNZZBLPF-NXEZZACHSA-N 1 1 309.370 1.327 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420645852 420340449 /nfs/dbraw/zinc/34/04/49/420340449.db2.gz ZMHJPEYGBHLERZ-INIZCTEOSA-N 1 1 318.377 1.616 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688247 230121734 /nfs/dbraw/zinc/12/17/34/230121734.db2.gz IXNNWQYUAJKGKC-QWRGUYRKSA-N 1 1 303.366 1.996 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425541167 420414498 /nfs/dbraw/zinc/41/44/98/420414498.db2.gz FYOXRMFKCNLBJI-LLVKDONJSA-N 1 1 303.322 1.581 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492363580 420535514 /nfs/dbraw/zinc/53/55/14/420535514.db2.gz GZNUUDTXKBZPGZ-SREVYHEPSA-N 1 1 301.346 1.986 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492624887 420610546 /nfs/dbraw/zinc/61/05/46/420610546.db2.gz URFAOCUKTSOITI-SREVYHEPSA-N 1 1 307.350 1.038 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457121481 420620722 /nfs/dbraw/zinc/62/07/22/420620722.db2.gz OLIPQTDHTFFIED-ZDUSSCGKSA-N 1 1 323.397 1.431 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(CNc3[nH+]cnc4[nH]ccc43)nc2c1 ZINC000443956299 420753748 /nfs/dbraw/zinc/75/37/48/420753748.db2.gz AUOPVRYHVKMVMD-UHFFFAOYSA-N 1 1 309.289 2.355 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000561147315 421308880 /nfs/dbraw/zinc/30/88/80/421308880.db2.gz LSQQBNPFQVFXIR-LBPRGKRZSA-N 1 1 321.377 1.699 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548082574 421397377 /nfs/dbraw/zinc/39/73/77/421397377.db2.gz UJGNIASOUUCEJS-UHFFFAOYSA-N 1 1 315.333 1.106 20 5 DDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548082574 421397380 /nfs/dbraw/zinc/39/73/80/421397380.db2.gz UJGNIASOUUCEJS-UHFFFAOYSA-N 1 1 315.333 1.106 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482989 421635249 /nfs/dbraw/zinc/63/52/49/421635249.db2.gz JXPUARZCZCYKNO-JQWIXIFHSA-N 1 1 318.377 1.992 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555070242 421668571 /nfs/dbraw/zinc/66/85/71/421668571.db2.gz AAXHEOIHZPKQEA-JTQLQIEISA-N 1 1 303.265 1.070 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555070242 421668572 /nfs/dbraw/zinc/66/85/72/421668572.db2.gz AAXHEOIHZPKQEA-JTQLQIEISA-N 1 1 303.265 1.070 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000558756534 421825035 /nfs/dbraw/zinc/82/50/35/421825035.db2.gz GRAONBGMRCDRHV-OLZOCXBDSA-N 1 1 315.333 1.146 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000572301297 421776663 /nfs/dbraw/zinc/77/66/63/421776663.db2.gz ASCGHSFVYGHJLO-GFCCVEGCSA-N 1 1 303.362 1.821 20 5 DDBDMO COc1nccnc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000574838104 422193899 /nfs/dbraw/zinc/19/38/99/422193899.db2.gz HCPHCCQUVAEDNW-UHFFFAOYSA-N 1 1 304.306 1.562 20 5 DDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000595966692 422359668 /nfs/dbraw/zinc/35/96/68/422359668.db2.gz LMFKAKXKKPHEIX-VXGBXAGGSA-N 1 1 315.333 1.193 20 5 DDBDMO Nc1ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596559444 422380191 /nfs/dbraw/zinc/38/01/91/422380191.db2.gz YPNIWIAOKYUXQH-ZDUSSCGKSA-N 1 1 313.361 2.258 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000344436033 272027039 /nfs/dbraw/zinc/02/70/39/272027039.db2.gz PENZSQJQANXWGD-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO CCCN(CC[NH+](C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000344860467 272130243 /nfs/dbraw/zinc/13/02/43/272130243.db2.gz SAMHHPPRZVBCFV-UHFFFAOYSA-N 1 1 311.386 1.855 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559662 279309482 /nfs/dbraw/zinc/30/94/82/279309482.db2.gz HJIUFEVWOKUZIO-VXGBXAGGSA-N 1 1 308.382 1.784 20 5 DDBDMO Cn1cc[nH+]c1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000130781090 281394092 /nfs/dbraw/zinc/39/40/92/281394092.db2.gz VPQKHHSPPNGJHO-UHFFFAOYSA-N 1 1 301.262 1.193 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000120770290 295179392 /nfs/dbraw/zinc/17/93/92/295179392.db2.gz FHTRXALALXUJQO-UHFFFAOYSA-N 1 1 321.377 1.821 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000358038406 299054093 /nfs/dbraw/zinc/05/40/93/299054093.db2.gz FZPAZLTWGJLOMG-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363322229 300250970 /nfs/dbraw/zinc/25/09/70/300250970.db2.gz BLYKQXZWTXRHTO-SNVBAGLBSA-N 1 1 306.326 1.399 20 5 DDBDMO Cc1noc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000363322229 300250974 /nfs/dbraw/zinc/25/09/74/300250974.db2.gz BLYKQXZWTXRHTO-SNVBAGLBSA-N 1 1 306.326 1.399 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363326031 300251891 /nfs/dbraw/zinc/25/18/91/300251891.db2.gz ORSOYLUNXNIMJO-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364037513 300337310 /nfs/dbraw/zinc/33/73/10/300337310.db2.gz AUDMSVYTBQDMMM-QWHCGFSZSA-N 1 1 321.381 1.233 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000364451247 300398782 /nfs/dbraw/zinc/39/87/82/300398782.db2.gz XOMNTTZCINUWGM-GJZGRUSLSA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364451249 300399121 /nfs/dbraw/zinc/39/91/21/300399121.db2.gz XOMNTTZCINUWGM-LSDHHAIUSA-N 1 1 324.381 1.043 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000370236438 301300115 /nfs/dbraw/zinc/30/01/15/301300115.db2.gz RCEPAPPMULVAHJ-ZDUSSCGKSA-N 1 1 324.381 1.488 20 5 DDBDMO COCCC[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000377489980 302184459 /nfs/dbraw/zinc/18/44/59/302184459.db2.gz OWTPRHIGCTTXRI-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000377655908 302205269 /nfs/dbraw/zinc/20/52/69/302205269.db2.gz RCVKYVSHQWBVNC-JQWIXIFHSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000377655908 302205272 /nfs/dbraw/zinc/20/52/72/302205272.db2.gz RCVKYVSHQWBVNC-JQWIXIFHSA-N 1 1 309.753 1.816 20 5 DDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000261788435 303009141 /nfs/dbraw/zinc/00/91/41/303009141.db2.gz UEISECTUAZENFF-CYBMUJFWSA-N 1 1 315.333 1.115 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000531143181 303232764 /nfs/dbraw/zinc/23/27/64/303232764.db2.gz QEXJAYAZUAPYJQ-CYBMUJFWSA-N 1 1 304.350 1.674 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCO)CC1 ZINC000532555818 303290183 /nfs/dbraw/zinc/29/01/83/303290183.db2.gz CRDAMEVSUSAHNA-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000534268085 303328430 /nfs/dbraw/zinc/32/84/30/303328430.db2.gz CJRJHYQTTBRLPG-UHFFFAOYSA-N 1 1 309.370 1.510 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000538350453 303384205 /nfs/dbraw/zinc/38/42/05/303384205.db2.gz KAYVMFOPYLXFFF-UHFFFAOYSA-N 1 1 319.317 1.315 20 5 DDBDMO CNC(=O)CN1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830506 307110982 /nfs/dbraw/zinc/11/09/82/307110982.db2.gz QWFYZDPRXKXGQD-ZDUSSCGKSA-N 1 1 320.393 1.410 20 5 DDBDMO CNC(=O)CN1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830506 307110983 /nfs/dbraw/zinc/11/09/83/307110983.db2.gz QWFYZDPRXKXGQD-ZDUSSCGKSA-N 1 1 320.393 1.410 20 5 DDBDMO CNC(=O)C[N@@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830506 307110984 /nfs/dbraw/zinc/11/09/84/307110984.db2.gz QWFYZDPRXKXGQD-ZDUSSCGKSA-N 1 1 320.393 1.410 20 5 DDBDMO CNC(=O)C[N@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368830506 307110985 /nfs/dbraw/zinc/11/09/85/307110985.db2.gz QWFYZDPRXKXGQD-ZDUSSCGKSA-N 1 1 320.393 1.410 20 5 DDBDMO CSC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294465 307167702 /nfs/dbraw/zinc/16/77/02/307167702.db2.gz JNMAYJPFDUZMTI-CMPLNLGQSA-N 1 1 300.384 1.152 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000372750395 307174628 /nfs/dbraw/zinc/17/46/28/307174628.db2.gz ZFFRHVARIUESQH-UHFFFAOYSA-N 1 1 315.333 1.920 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000373175649 307181075 /nfs/dbraw/zinc/18/10/75/307181075.db2.gz ANLBMMHJLVXJDV-NSHDSACASA-N 1 1 308.338 1.066 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375202160 307218539 /nfs/dbraw/zinc/21/85/39/307218539.db2.gz PIFTZCLCIREEPA-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375202160 307218540 /nfs/dbraw/zinc/21/85/40/307218540.db2.gz PIFTZCLCIREEPA-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375202160 307218541 /nfs/dbraw/zinc/21/85/41/307218541.db2.gz PIFTZCLCIREEPA-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO C[N@@H+](CCCCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000434682859 307304284 /nfs/dbraw/zinc/30/42/84/307304284.db2.gz BGKVUGTYPHSPOR-OAHLLOKOSA-N 1 1 321.377 1.795 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000576977166 308353736 /nfs/dbraw/zinc/35/37/36/308353736.db2.gz HLWJITCVPDHQRI-NSHDSACASA-N 1 1 302.290 1.370 20 5 DDBDMO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000579954052 308569293 /nfs/dbraw/zinc/56/92/93/308569293.db2.gz ZNFCFRXEXCGENW-ZKYQVNSYSA-N 1 1 323.349 1.234 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372370477 483932222 /nfs/dbraw/zinc/93/22/22/483932222.db2.gz UBSAKUIZRVSRHK-KGLIPLIRSA-N 1 1 303.322 1.167 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000452363779 534318082 /nfs/dbraw/zinc/31/80/82/534318082.db2.gz MDNSZGZSKIRVDO-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155591536 696950334 /nfs/dbraw/zinc/95/03/34/696950334.db2.gz DIFXFPSRAUGFEX-UWVGGRQHSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1COCCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772819343 697681573 /nfs/dbraw/zinc/68/15/73/697681573.db2.gz AUOGYKOXRBFAIE-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1COCCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772819343 697681575 /nfs/dbraw/zinc/68/15/75/697681575.db2.gz AUOGYKOXRBFAIE-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO COCC1=CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000774643300 697906355 /nfs/dbraw/zinc/90/63/55/697906355.db2.gz GNUIFSNEOPOHFN-UHFFFAOYSA-N 1 1 317.349 1.884 20 5 DDBDMO COCC1=CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000774643300 697906356 /nfs/dbraw/zinc/90/63/56/697906356.db2.gz GNUIFSNEOPOHFN-UHFFFAOYSA-N 1 1 317.349 1.884 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000776593886 698124244 /nfs/dbraw/zinc/12/42/44/698124244.db2.gz PCJQCKGWYJGRCC-CYBMUJFWSA-N 1 1 307.350 1.358 20 5 DDBDMO COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261938689 698445800 /nfs/dbraw/zinc/44/58/00/698445800.db2.gz UJVQDNALNCESBM-AWEZNQCLSA-N 1 1 320.393 1.083 20 5 DDBDMO CN(C)c1cc[nH+]c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000784521700 698944516 /nfs/dbraw/zinc/94/45/16/698944516.db2.gz GVDPMXPOBUBOKZ-UHFFFAOYSA-N 1 1 317.353 1.489 20 5 DDBDMO CCOCC[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729920867 699492017 /nfs/dbraw/zinc/49/20/17/699492017.db2.gz PFKQRHSYEJOVJJ-UHFFFAOYSA-N 1 1 319.365 1.401 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000733171658 699582096 /nfs/dbraw/zinc/58/20/96/699582096.db2.gz STNFYIIXJMOFRQ-UHFFFAOYSA-N 1 1 308.382 1.731 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+]1CCOCC1 ZINC000735891707 699708907 /nfs/dbraw/zinc/70/89/07/699708907.db2.gz CIDOXQLJHNJIRE-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO C[C@H]1CN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000795222964 699852637 /nfs/dbraw/zinc/85/26/37/699852637.db2.gz VAAAOFRIKZWVGK-LBPRGKRZSA-N 1 1 321.377 1.667 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801930505 700356477 /nfs/dbraw/zinc/35/64/77/700356477.db2.gz CFXQASFROQVIGS-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000801930505 700356479 /nfs/dbraw/zinc/35/64/79/700356479.db2.gz CFXQASFROQVIGS-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758286000 700696541 /nfs/dbraw/zinc/69/65/41/700696541.db2.gz RBFCQABBVYGADP-QWRGUYRKSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758286000 700696542 /nfs/dbraw/zinc/69/65/42/700696542.db2.gz RBFCQABBVYGADP-QWRGUYRKSA-N 1 1 309.341 2.000 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000769636144 701250899 /nfs/dbraw/zinc/25/08/99/701250899.db2.gz WYLPKMRAJDQSJQ-OUKQBFOZSA-N 1 1 321.377 1.429 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000839662243 701769755 /nfs/dbraw/zinc/76/97/55/701769755.db2.gz BKJLBXHVRVZDOR-LQKXBSAESA-N 1 1 306.362 1.721 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112528 706621892 /nfs/dbraw/zinc/62/18/92/706621892.db2.gz DYPGYHLAIXDIOF-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000812336268 702160305 /nfs/dbraw/zinc/16/03/05/702160305.db2.gz VZUJMCYKGBJLNI-NEPJUHHUSA-N 1 1 318.377 1.509 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@H]21 ZINC000866209020 706649223 /nfs/dbraw/zinc/64/92/23/706649223.db2.gz NEVSYRSBRFUYLY-GXFFZTMASA-N 1 1 309.341 1.757 20 5 DDBDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322298 706649687 /nfs/dbraw/zinc/64/96/87/706649687.db2.gz JGCPUVOPSIPDPY-MFKMUULPSA-N 1 1 307.350 1.693 20 5 DDBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000879334832 706653362 /nfs/dbraw/zinc/65/33/62/706653362.db2.gz NQCVVOARICHBPF-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO CSCC[C@H]([NH3+])c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000843222051 702844885 /nfs/dbraw/zinc/84/48/85/702844885.db2.gz OTRWWLLFMGCKNU-ZETCQYMHSA-N 1 1 312.355 1.440 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574459 706723558 /nfs/dbraw/zinc/72/35/58/706723558.db2.gz AAQVEZOWIHEPMO-KGLIPLIRSA-N 1 1 318.377 1.220 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000852314407 704008160 /nfs/dbraw/zinc/00/81/60/704008160.db2.gz SKLMQWZKHGTNQG-IUODEOHRSA-N 1 1 317.349 1.242 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852500767 704064118 /nfs/dbraw/zinc/06/41/18/704064118.db2.gz DKDYKZIVGDFEFH-JKSUJKDBSA-N 1 1 306.362 1.865 20 5 DDBDMO CCC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870911414 704165341 /nfs/dbraw/zinc/16/53/41/704165341.db2.gz WDHOJYJLLRSPSC-GDBMZVCRSA-N 1 1 321.377 1.796 20 5 DDBDMO CN(C[C@@H]1CCCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870922635 704170045 /nfs/dbraw/zinc/17/00/45/704170045.db2.gz KQJWVWKAPSWVJP-LRDDRELGSA-N 1 1 321.377 1.654 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871151916 704231158 /nfs/dbraw/zinc/23/11/58/704231158.db2.gz GCSJLHXMTYFZHA-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000871188496 704240679 /nfs/dbraw/zinc/24/06/79/704240679.db2.gz QAKIADHBLYIWOI-RBSFLKMASA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000871188496 704240681 /nfs/dbraw/zinc/24/06/81/704240681.db2.gz QAKIADHBLYIWOI-RBSFLKMASA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000871188496 704240683 /nfs/dbraw/zinc/24/06/83/704240683.db2.gz QAKIADHBLYIWOI-RBSFLKMASA-N 1 1 303.362 1.351 20 5 DDBDMO CO[C@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880304419 706934815 /nfs/dbraw/zinc/93/48/15/706934815.db2.gz ZBYNYGHSROJGAJ-SNVBAGLBSA-N 1 1 308.260 1.445 20 5 DDBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000880304419 706934819 /nfs/dbraw/zinc/93/48/19/706934819.db2.gz ZBYNYGHSROJGAJ-SNVBAGLBSA-N 1 1 308.260 1.445 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000821782349 704805666 /nfs/dbraw/zinc/80/56/66/704805666.db2.gz XIOQGUOYTKPXFP-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000822155883 704886496 /nfs/dbraw/zinc/88/64/96/704886496.db2.gz QTZTVJUIXNXBFT-GFCCVEGCSA-N 1 1 321.377 1.350 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000822155883 704886500 /nfs/dbraw/zinc/88/65/00/704886500.db2.gz QTZTVJUIXNXBFT-GFCCVEGCSA-N 1 1 321.377 1.350 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842039 705196629 /nfs/dbraw/zinc/19/66/29/705196629.db2.gz ZNFYMKGSWSYDER-QWRGUYRKSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842039 705196633 /nfs/dbraw/zinc/19/66/33/705196633.db2.gz ZNFYMKGSWSYDER-QWRGUYRKSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842039 705196636 /nfs/dbraw/zinc/19/66/36/705196636.db2.gz ZNFYMKGSWSYDER-QWRGUYRKSA-N 1 1 307.354 1.189 20 5 DDBDMO CCCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000823500095 705256185 /nfs/dbraw/zinc/25/61/85/705256185.db2.gz UPURNWSOZZZJIO-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828338623 706163022 /nfs/dbraw/zinc/16/30/22/706163022.db2.gz PQGFHSAWHXGOOQ-GYSYKLTISA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828338623 706163024 /nfs/dbraw/zinc/16/30/24/706163024.db2.gz PQGFHSAWHXGOOQ-GYSYKLTISA-N 1 1 307.350 1.179 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@@H+]2CCO)nc2ccccn21 ZINC000828461294 706184322 /nfs/dbraw/zinc/18/43/22/706184322.db2.gz RINPJDQMMKUOJL-LBPRGKRZSA-N 1 1 319.365 1.501 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000877748401 706198041 /nfs/dbraw/zinc/19/80/41/706198041.db2.gz AOXVMOKFOTUQQR-CABCVRRESA-N 1 1 318.329 1.782 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000836849705 707529316 /nfs/dbraw/zinc/52/93/16/707529316.db2.gz PUPXUGUFNURNTL-OQPBUACISA-N 1 1 308.313 1.092 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882483475 707654165 /nfs/dbraw/zinc/65/41/65/707654165.db2.gz BGYXGWGPFYHXRA-CYBMUJFWSA-N 1 1 317.349 1.155 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000882486540 707656927 /nfs/dbraw/zinc/65/69/27/707656927.db2.gz STUVILOQGNMRCT-GFCCVEGCSA-N 1 1 309.370 1.009 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000882491637 707662134 /nfs/dbraw/zinc/66/21/34/707662134.db2.gz KDIDIKQXPHSANY-GFCCVEGCSA-N 1 1 307.350 1.736 20 5 DDBDMO CN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897854963 708470692 /nfs/dbraw/zinc/47/06/92/708470692.db2.gz QGYPUWYMLCGSMU-ALCCZGGFSA-N 1 1 318.421 1.787 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886012518 708681612 /nfs/dbraw/zinc/68/16/12/708681612.db2.gz JMDFKUVQZZPPQY-UHFFFAOYSA-N 1 1 308.382 1.268 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000886138435 708703487 /nfs/dbraw/zinc/70/34/87/708703487.db2.gz KJASAPGXXSKTGI-UHFFFAOYSA-N 1 1 307.350 1.761 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000886138435 708703488 /nfs/dbraw/zinc/70/34/88/708703488.db2.gz KJASAPGXXSKTGI-UHFFFAOYSA-N 1 1 307.350 1.761 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202722 708714057 /nfs/dbraw/zinc/71/40/57/708714057.db2.gz CKGMAGXJXYAMCP-GXTWGEPZSA-N 1 1 306.366 1.285 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886202722 708714059 /nfs/dbraw/zinc/71/40/59/708714059.db2.gz CKGMAGXJXYAMCP-GXTWGEPZSA-N 1 1 306.366 1.285 20 5 DDBDMO C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399068 709036627 /nfs/dbraw/zinc/03/66/27/709036627.db2.gz MBGMKGZHPLNGQO-HSMVNMDESA-N 1 1 321.377 1.270 20 5 DDBDMO Cc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888999185 709428797 /nfs/dbraw/zinc/42/87/97/709428797.db2.gz YFQWPEIDIIJGBF-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)n1 ZINC000910279789 709862078 /nfs/dbraw/zinc/86/20/78/709862078.db2.gz NCCTXQRPUDQRJA-LLVKDONJSA-N 1 1 309.370 1.368 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928435442 713194930 /nfs/dbraw/zinc/19/49/30/713194930.db2.gz GOTSLOXNZUWBCY-SKDRFNHKSA-N 1 1 313.304 1.895 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000928455744 713204545 /nfs/dbraw/zinc/20/45/45/713204545.db2.gz UMMYINBGMWZOOQ-GXFFZTMASA-N 1 1 306.366 1.483 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000928459990 713206330 /nfs/dbraw/zinc/20/63/30/713206330.db2.gz YYGSZSDOSAXUHI-GWCFXTLKSA-N 1 1 317.349 1.153 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911473113 710813008 /nfs/dbraw/zinc/81/30/08/710813008.db2.gz QVOAZVFUMXUAGK-VIFPVBQESA-N 1 1 313.304 1.831 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)c1c([N+](=O)[O-])cnn1C ZINC000894372897 711092208 /nfs/dbraw/zinc/09/22/08/711092208.db2.gz UJXGSAPLUKVLRP-UHFFFAOYSA-N 1 1 318.381 1.682 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000928569199 713232563 /nfs/dbraw/zinc/23/25/63/713232563.db2.gz LDWGGRIDMRZSHD-ZDUSSCGKSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000928569199 713232566 /nfs/dbraw/zinc/23/25/66/713232566.db2.gz LDWGGRIDMRZSHD-ZDUSSCGKSA-N 1 1 315.333 1.214 20 5 DDBDMO COC(=O)Cc1ccc(NCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000895114813 711419588 /nfs/dbraw/zinc/41/95/88/711419588.db2.gz JEYSWNBZUGMRKT-UHFFFAOYSA-N 1 1 318.333 1.927 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CCC([C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000895815921 711615144 /nfs/dbraw/zinc/61/51/44/711615144.db2.gz ORPXYRIYQXHMNJ-JTQLQIEISA-N 1 1 310.350 1.902 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[N@H+]3CCCC[C@H]3C2)nc2ccccn21 ZINC000917059423 713480280 /nfs/dbraw/zinc/48/02/80/713480280.db2.gz YPFZBMCDQSEMDJ-LBPRGKRZSA-N 1 1 301.350 1.917 20 5 DDBDMO COc1cc(NC2CC[NH+](CC[N+](=O)[O-])CC2)cc(OC)c1 ZINC000930016833 713736570 /nfs/dbraw/zinc/73/65/70/713736570.db2.gz FHQXTGBRPKDKHT-UHFFFAOYSA-N 1 1 309.366 1.857 20 5 DDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000923279033 714295132 /nfs/dbraw/zinc/29/51/32/714295132.db2.gz BBQNXTZYOGPBII-ZDUSSCGKSA-N 1 1 309.366 1.018 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000923316461 714309702 /nfs/dbraw/zinc/30/97/02/714309702.db2.gz UYPYRRLXQDCSDC-NWDGAFQWSA-N 1 1 304.350 1.486 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000932648672 714376304 /nfs/dbraw/zinc/37/63/04/714376304.db2.gz ZOGASRYZLCEIQH-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO Cn1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c([N+](=O)[O-])n1 ZINC000923505350 714382889 /nfs/dbraw/zinc/38/28/89/714382889.db2.gz BTGCDINGNONGSD-ZDUSSCGKSA-N 1 1 321.425 1.930 20 5 DDBDMO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000923910128 714488173 /nfs/dbraw/zinc/48/81/73/714488173.db2.gz JLDIKBRDZCQZHY-YPMHNXCESA-N 1 1 306.366 1.795 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933675769 714645970 /nfs/dbraw/zinc/64/59/70/714645970.db2.gz OFIKESHARHOTQV-ZIAGYGMSSA-N 1 1 324.381 1.227 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933675769 714645971 /nfs/dbraw/zinc/64/59/71/714645971.db2.gz OFIKESHARHOTQV-ZIAGYGMSSA-N 1 1 324.381 1.227 20 5 DDBDMO C/C(=C\C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982051 714714903 /nfs/dbraw/zinc/71/49/03/714714903.db2.gz OPLBNAWKSQZRGY-LBXBEFBNSA-N 1 1 319.361 1.179 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000925422596 714851594 /nfs/dbraw/zinc/85/15/94/714851594.db2.gz ZZWOADTWQXPCAH-GFCCVEGCSA-N 1 1 320.349 1.072 20 5 DDBDMO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589338 718844491 /nfs/dbraw/zinc/84/44/91/718844491.db2.gz SZHXDZOQWRKZKD-QKPAOTATSA-N 1 1 323.437 1.868 20 5 DDBDMO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589338 718844494 /nfs/dbraw/zinc/84/44/94/718844494.db2.gz SZHXDZOQWRKZKD-QKPAOTATSA-N 1 1 323.437 1.868 20 5 DDBDMO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589338 718844499 /nfs/dbraw/zinc/84/44/99/718844499.db2.gz SZHXDZOQWRKZKD-QKPAOTATSA-N 1 1 323.437 1.868 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001164666133 719391345 /nfs/dbraw/zinc/39/13/45/719391345.db2.gz JJVUPWXEAOJVJT-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO COC(=O)c1ccnc(N2CCc3[nH+]ccn3CC2)c1[N+](=O)[O-] ZINC001167182214 732809676 /nfs/dbraw/zinc/80/96/76/732809676.db2.gz JIVSFCKNAKUXPP-UHFFFAOYSA-N 1 1 317.305 1.036 20 5 DDBDMO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025649151 736808674 /nfs/dbraw/zinc/80/86/74/736808674.db2.gz DSTLKAPDTXOJHS-HALDLXJZSA-N 1 1 315.373 1.941 20 5 DDBDMO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025649168 736808748 /nfs/dbraw/zinc/80/87/48/736808748.db2.gz QNGQZUQAHYYCMK-QLPKVWCKSA-N 1 1 315.373 1.941 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197295840 747123538 /nfs/dbraw/zinc/12/35/38/747123538.db2.gz INRIEEHDIKZKRZ-SNVBAGLBSA-N 1 1 304.310 1.106 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001197295840 747123544 /nfs/dbraw/zinc/12/35/44/747123544.db2.gz INRIEEHDIKZKRZ-SNVBAGLBSA-N 1 1 304.310 1.106 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC001198755068 747599863 /nfs/dbraw/zinc/59/98/63/747599863.db2.gz XGCAVCLQPDNHCO-KGLIPLIRSA-N 1 1 324.377 1.416 20 5 DDBDMO CN1C[C@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)CC1=O ZINC001168725893 747981229 /nfs/dbraw/zinc/98/12/29/747981229.db2.gz HYSBRLIOMMWUQV-NSHDSACASA-N 1 1 318.377 1.473 20 5 DDBDMO CN1C[C@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)CC1=O ZINC001168725893 747981232 /nfs/dbraw/zinc/98/12/32/747981232.db2.gz HYSBRLIOMMWUQV-NSHDSACASA-N 1 1 318.377 1.473 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC001200471545 748265598 /nfs/dbraw/zinc/26/55/98/748265598.db2.gz NQNYFYZHBNHWBQ-JTQLQIEISA-N 1 1 316.379 1.516 20 5 DDBDMO CCOC[C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169025780 762203123 /nfs/dbraw/zinc/20/31/23/762203123.db2.gz UWQQZUWGWUMIDE-KFWWJZLASA-N 1 1 322.409 1.797 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ncccn3)C2)C1 ZINC001169053136 762207762 /nfs/dbraw/zinc/20/77/62/762207762.db2.gz HQHGIWFPRMVVCW-RDBSUJKOSA-N 1 1 306.366 1.765 20 5 DDBDMO COc1cc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056368 762211345 /nfs/dbraw/zinc/21/13/45/762211345.db2.gz SLESEXBMHIKDRB-VNHYZAJKSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057440 762211363 /nfs/dbraw/zinc/21/13/63/762211363.db2.gz VIOXNHDUPCBKPX-NWANDNLSSA-N 1 1 309.410 1.813 20 5 DDBDMO C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000828725190 759755591 /nfs/dbraw/zinc/75/55/91/759755591.db2.gz RHRHIORXCJIEBH-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000828725190 759755597 /nfs/dbraw/zinc/75/55/97/759755597.db2.gz RHRHIORXCJIEBH-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084300 760944584 /nfs/dbraw/zinc/94/45/84/760944584.db2.gz LMJRTKWALNSUDE-SASUGWTJSA-N 1 1 317.336 1.181 20 5 DDBDMO C[NH+](C)C1(C(=O)NCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001129357532 762869529 /nfs/dbraw/zinc/86/95/29/762869529.db2.gz NTFBWHWTMPKBRH-UHFFFAOYSA-N 1 1 320.393 1.285 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354407 766260651 /nfs/dbraw/zinc/26/06/51/766260651.db2.gz KUXFFEQXLMAXRJ-FZMZJTMJSA-N 1 1 321.377 1.745 20 5 DDBDMO CCOC(=O)C1=C(Nc2ncc(F)c(C)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001170514053 767726821 /nfs/dbraw/zinc/72/68/21/767726821.db2.gz OMHGFEGNGLRFPY-UHFFFAOYSA-N 1 1 324.312 1.660 20 5 DDBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048607888 769578027 /nfs/dbraw/zinc/57/80/27/769578027.db2.gz QIVNPSCHVCEHFK-KBUPBQIOSA-N 1 1 309.410 1.574 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136325777 771938064 /nfs/dbraw/zinc/93/80/64/771938064.db2.gz IPUSOESMQJDWTD-SNVBAGLBSA-N 1 1 317.349 1.748 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093771115 775068208 /nfs/dbraw/zinc/06/82/08/775068208.db2.gz YFCNPVVLGYAUQB-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)C[N@H+](C)C(C)C ZINC001100149708 775734879 /nfs/dbraw/zinc/73/48/79/775734879.db2.gz MLHKSZBSQOKABT-UHFFFAOYSA-N 1 1 323.397 1.191 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110158318 775974096 /nfs/dbraw/zinc/97/40/96/775974096.db2.gz GLDTYQRYBPMKMN-UHFFFAOYSA-N 1 1 321.381 1.391 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCO[C@@H](CO)C1)CC2 ZINC001172902803 776915857 /nfs/dbraw/zinc/91/58/57/776915857.db2.gz CRIBLMPUUYPQDC-GDBMZVCRSA-N 1 1 306.362 1.535 20 5 DDBDMO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907534 776918179 /nfs/dbraw/zinc/91/81/79/776918179.db2.gz GXQVGZYIALVFLJ-SMDDNHRTSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907534 776918188 /nfs/dbraw/zinc/91/81/88/776918188.db2.gz GXQVGZYIALVFLJ-SMDDNHRTSA-N 1 1 303.362 1.663 20 5 DDBDMO NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912886 776942863 /nfs/dbraw/zinc/94/28/63/776942863.db2.gz CGPXEKBKCLDTLO-YDHLFZDLSA-N 1 1 321.352 1.740 20 5 DDBDMO NC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912886 776942868 /nfs/dbraw/zinc/94/28/68/776942868.db2.gz CGPXEKBKCLDTLO-YDHLFZDLSA-N 1 1 321.352 1.740 20 5 DDBDMO Cc1nnc2n1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228840 777062345 /nfs/dbraw/zinc/06/23/45/777062345.db2.gz ZFGPHOOZPIHMCV-NSHDSACASA-N 1 1 301.350 1.942 20 5 DDBDMO Cc1nnc2n1CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228840 777062347 /nfs/dbraw/zinc/06/23/47/777062347.db2.gz ZFGPHOOZPIHMCV-NSHDSACASA-N 1 1 301.350 1.942 20 5 DDBDMO Cc1n[nH]cc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175183105 777712972 /nfs/dbraw/zinc/71/29/72/777712972.db2.gz GMDPDELLTYBGCN-ZDUSSCGKSA-N 1 1 320.349 1.498 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001176734414 778223242 /nfs/dbraw/zinc/22/32/42/778223242.db2.gz ASMOFBVHFAMETB-UHFFFAOYSA-N 1 1 306.322 1.694 20 5 DDBDMO O=C(NCCCCCC[NH2+]Cc1ccon1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458672 779059105 /nfs/dbraw/zinc/05/91/05/779059105.db2.gz RNDLHUQSZXCLCH-CHWSQXEVSA-N 1 1 310.354 1.106 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)o1 ZINC001117229110 780692259 /nfs/dbraw/zinc/69/22/59/780692259.db2.gz NUDQPGMZCNXWQT-UHFFFAOYSA-N 1 1 315.293 1.287 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105441838 844397991 /nfs/dbraw/zinc/39/79/91/844397991.db2.gz NGPCBFRMAVKDNE-UHFFFAOYSA-N 1 1 322.409 1.831 20 5 DDBDMO CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC[N@H+]1C ZINC001123413224 859224602 /nfs/dbraw/zinc/22/46/02/859224602.db2.gz NTMKQRSWKGHYHV-CYBMUJFWSA-N 1 1 322.413 1.241 20 5 DDBDMO C[C@@H](c1nnc(N2CC[N@@H+](C)C(C)(C)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123415782 859225971 /nfs/dbraw/zinc/22/59/71/859225971.db2.gz UTWPJLCXBMSDOV-NSHDSACASA-N 1 1 322.413 1.556 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001123474144 859251175 /nfs/dbraw/zinc/25/11/75/859251175.db2.gz YRWUPTCNQVKGHP-FZMZJTMJSA-N 1 1 304.350 1.230 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123879897 859452746 /nfs/dbraw/zinc/45/27/46/859452746.db2.gz JVSVCNQCEQGZSZ-RISCZKNCSA-N 1 1 318.377 1.538 20 5 DDBDMO CC[N@H+]1CC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986731 881624605 /nfs/dbraw/zinc/62/46/05/881624605.db2.gz JTOYNSIIANSEKB-AWEZNQCLSA-N 1 1 308.334 1.749 20 5 DDBDMO C[N@H+]1CC[C@H](NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156580092 863162973 /nfs/dbraw/zinc/16/29/73/863162973.db2.gz DEXJNVGVDFIKSJ-ZETCQYMHSA-N 1 1 306.700 1.986 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001159452177 865307478 /nfs/dbraw/zinc/30/74/78/865307478.db2.gz DRZWSLKECOLNBR-UHFFFAOYSA-N 1 1 320.349 1.829 20 5 DDBDMO Nc1cc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160724732 866072940 /nfs/dbraw/zinc/07/29/40/866072940.db2.gz MPNNEKLYBHRDQP-RYUDHWBXSA-N 1 1 307.354 1.237 20 5 DDBDMO O=c1cc[nH]c(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001225664279 881966405 /nfs/dbraw/zinc/96/64/05/881966405.db2.gz MDGZHQSJZFTQLE-TXEJJXNPSA-N 1 1 323.349 1.718 20 5 DDBDMO CN(C(=O)C[N@@H+]1C2CCC1(CO)CC2)c1ccc([N+](=O)[O-])cc1 ZINC001333276503 866581197 /nfs/dbraw/zinc/58/11/97/866581197.db2.gz MXEQYEVVPOINRR-UHFFFAOYSA-N 1 1 319.361 1.547 20 5 DDBDMO CN(C(=O)C[N@H+]1C2CCC1(CO)CC2)c1ccc([N+](=O)[O-])cc1 ZINC001333276503 866581206 /nfs/dbraw/zinc/58/12/06/866581206.db2.gz MXEQYEVVPOINRR-UHFFFAOYSA-N 1 1 319.361 1.547 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC001320564457 866835579 /nfs/dbraw/zinc/83/55/79/866835579.db2.gz ZPTZOKVVANJNEB-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC001320564457 866835590 /nfs/dbraw/zinc/83/55/90/866835590.db2.gz ZPTZOKVVANJNEB-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO CN1CC[NH+](CCCNc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001161703668 866909736 /nfs/dbraw/zinc/90/97/36/866909736.db2.gz KMTTYSHEYSJXBP-UHFFFAOYSA-N 1 1 313.789 1.693 20 5 DDBDMO COc1c(O)ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC001335542095 868373261 /nfs/dbraw/zinc/37/32/61/868373261.db2.gz CVVUBXSWVMZELW-MRXNPFEDSA-N 1 1 321.377 1.837 20 5 DDBDMO COc1c(O)ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC001335542094 868373684 /nfs/dbraw/zinc/37/36/84/868373684.db2.gz CVVUBXSWVMZELW-INIZCTEOSA-N 1 1 321.377 1.837 20 5 DDBDMO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001226061418 882184329 /nfs/dbraw/zinc/18/43/29/882184329.db2.gz IRQAEESHARCGLX-SECBINFHSA-N 1 1 302.352 1.327 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2C[C@H](CO)C[C@H](F)C2)ncc1[N+](=O)[O-] ZINC001164050493 868913475 /nfs/dbraw/zinc/91/34/75/868913475.db2.gz NQMPFZPBEYOJJB-WTQORWENSA-N 1 1 324.356 1.679 20 5 DDBDMO C[C@@H]1[C@H](CO)CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164055810 868916852 /nfs/dbraw/zinc/91/68/52/868916852.db2.gz FOJQLLLAXDRWKX-YJLKIPLNSA-N 1 1 306.366 1.729 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001337836246 869651260 /nfs/dbraw/zinc/65/12/60/869651260.db2.gz OTYUDNUGSJGCBD-GLQYFDAESA-N 1 1 319.361 1.430 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CCCOC ZINC001339446889 870501882 /nfs/dbraw/zinc/50/18/82/870501882.db2.gz FQUMHWIMSSKPLR-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001340112924 870897010 /nfs/dbraw/zinc/89/70/10/870897010.db2.gz IJJKCDFFKUBWGX-GFCCVEGCSA-N 1 1 322.413 1.385 20 5 DDBDMO COCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001318953867 872366562 /nfs/dbraw/zinc/36/65/62/872366562.db2.gz WCRJCDNDLZOQKA-AAVRWANBSA-N 1 1 313.398 1.095 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206552368 872434734 /nfs/dbraw/zinc/43/47/34/872434734.db2.gz JDPDCIJGROCWFT-GHMZBOCLSA-N 1 1 307.306 1.318 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001206552368 872434745 /nfs/dbraw/zinc/43/47/45/872434745.db2.gz JDPDCIJGROCWFT-GHMZBOCLSA-N 1 1 307.306 1.318 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001343018562 872469591 /nfs/dbraw/zinc/46/95/91/872469591.db2.gz ABXKYYLTUQNBLD-GFCCVEGCSA-N 1 1 324.381 1.911 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227094963 882828542 /nfs/dbraw/zinc/82/85/42/882828542.db2.gz GQSNKWOYKRIGEO-JTQLQIEISA-N 1 1 304.306 1.717 20 5 DDBDMO C[N@@H+]1CCO[C@H](COCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222928749 880748249 /nfs/dbraw/zinc/74/82/49/880748249.db2.gz JCDFARUKGZTEOD-NSHDSACASA-N 1 1 307.306 1.583 20 5 DDBDMO C[N@H+]1CCO[C@H](COCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222928749 880748260 /nfs/dbraw/zinc/74/82/60/880748260.db2.gz JCDFARUKGZTEOD-NSHDSACASA-N 1 1 307.306 1.583 20 5 DDBDMO Cc1nc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378386 883952351 /nfs/dbraw/zinc/95/23/51/883952351.db2.gz LGPROPQCHRJJTK-IAZYJMLFSA-N 1 1 308.338 1.508 20 5 DDBDMO Cc1nc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378386 883952355 /nfs/dbraw/zinc/95/23/55/883952355.db2.gz LGPROPQCHRJJTK-IAZYJMLFSA-N 1 1 308.338 1.508 20 5 DDBDMO CC(C)(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC001251498074 894714872 /nfs/dbraw/zinc/71/48/72/894714872.db2.gz GTJMBIYMTZQVNL-LBPRGKRZSA-N 1 1 321.381 1.223 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001254011235 896210474 /nfs/dbraw/zinc/21/04/74/896210474.db2.gz YFWBWYUKJWHYND-MRXNPFEDSA-N 1 1 322.361 1.960 20 5 DDBDMO C[C@@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001254011235 896210486 /nfs/dbraw/zinc/21/04/86/896210486.db2.gz YFWBWYUKJWHYND-MRXNPFEDSA-N 1 1 322.361 1.960 20 5 DDBDMO C[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001254011234 896210962 /nfs/dbraw/zinc/21/09/62/896210962.db2.gz YFWBWYUKJWHYND-INIZCTEOSA-N 1 1 322.361 1.960 20 5 DDBDMO C[C@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001254011234 896210973 /nfs/dbraw/zinc/21/09/73/896210973.db2.gz YFWBWYUKJWHYND-INIZCTEOSA-N 1 1 322.361 1.960 20 5 DDBDMO C[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545139 896496429 /nfs/dbraw/zinc/49/64/29/896496429.db2.gz JEBJSZLTNZEBCX-CZUORRHYSA-N 1 1 324.377 1.429 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001254553822 896499482 /nfs/dbraw/zinc/49/94/82/896499482.db2.gz ZQALIKTUIKTVQP-UHOFOFEASA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@]1(CO)C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593354 896521733 /nfs/dbraw/zinc/52/17/33/896521733.db2.gz LILUJHRMWPUFED-OWCLPIDISA-N 1 1 306.362 1.127 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](N3CCOCC3)C1)C2 ZINC001254601426 896524555 /nfs/dbraw/zinc/52/45/55/896524555.db2.gz ZSBKLWOGNIYUIX-IRXDYDNUSA-N 1 1 317.389 1.469 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000305706024 231022886 /nfs/dbraw/zinc/02/28/86/231022886.db2.gz CVNOBPXPYNZQAL-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000305706024 231022889 /nfs/dbraw/zinc/02/28/89/231022889.db2.gz CVNOBPXPYNZQAL-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857350 231076107 /nfs/dbraw/zinc/07/61/07/231076107.db2.gz KZGIXOGBDIVWGV-HUBLWGQQSA-N 1 1 319.361 1.403 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000495202229 529575940 /nfs/dbraw/zinc/57/59/40/529575940.db2.gz NRUVBGWANVSHDH-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000495202229 529575943 /nfs/dbraw/zinc/57/59/43/529575943.db2.gz NRUVBGWANVSHDH-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286619389 219087059 /nfs/dbraw/zinc/08/70/59/219087059.db2.gz SAXOMYHUZFNKBH-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO CCc1nn(C)c(N[C@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000302611747 529767788 /nfs/dbraw/zinc/76/77/88/529767788.db2.gz BQPLEMJMQHCAMJ-JTQLQIEISA-N 1 1 304.354 1.823 20 5 DDBDMO CCc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000266883386 282303503 /nfs/dbraw/zinc/30/35/03/282303503.db2.gz COYXFXMQPAGRHS-AWEZNQCLSA-N 1 1 320.393 1.133 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457136983 232000294 /nfs/dbraw/zinc/00/02/94/232000294.db2.gz VHCVMIUMXNTKDR-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457136983 232000298 /nfs/dbraw/zinc/00/02/98/232000298.db2.gz VHCVMIUMXNTKDR-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413029997 530053524 /nfs/dbraw/zinc/05/35/24/530053524.db2.gz UHFGSZOGMTVGKD-LSDHHAIUSA-N 1 1 303.362 1.862 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])s1 ZINC000331327394 233083599 /nfs/dbraw/zinc/08/35/99/233083599.db2.gz NGJYZJNVWJJGLX-JTQLQIEISA-N 1 1 313.379 1.233 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])s1 ZINC000331327394 233083607 /nfs/dbraw/zinc/08/36/07/233083607.db2.gz NGJYZJNVWJJGLX-JTQLQIEISA-N 1 1 313.379 1.233 20 5 DDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCC1 ZINC000046037036 352433833 /nfs/dbraw/zinc/43/38/33/352433833.db2.gz ZTSCONZWPZNFBL-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CCCC1 ZINC000046037036 352433841 /nfs/dbraw/zinc/43/38/41/352433841.db2.gz ZTSCONZWPZNFBL-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000047669903 352507434 /nfs/dbraw/zinc/50/74/34/352507434.db2.gz CICVTNUZSVFCBY-PHIMTYICSA-N 1 1 311.338 1.417 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000058274262 352841535 /nfs/dbraw/zinc/84/15/35/352841535.db2.gz GPKUTIGHPCURFK-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000065780294 352962927 /nfs/dbraw/zinc/96/29/27/352962927.db2.gz TUWAYWZQIUKYRJ-QWHCGFSZSA-N 1 1 323.397 1.561 20 5 DDBDMO C[N@@H+](CCNC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000066924332 353026138 /nfs/dbraw/zinc/02/61/38/353026138.db2.gz AIZYEHQZYJTQLD-UHFFFAOYSA-N 1 1 306.366 1.607 20 5 DDBDMO Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000075053090 353345154 /nfs/dbraw/zinc/34/51/54/353345154.db2.gz VSYANZKLBUIUHA-UHFFFAOYSA-N 1 1 301.350 1.963 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000174715848 198373763 /nfs/dbraw/zinc/37/37/63/198373763.db2.gz BTRPZOLFKTVCCP-MRXNPFEDSA-N 1 1 316.361 1.817 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000078523759 353520475 /nfs/dbraw/zinc/52/04/75/353520475.db2.gz ARSVCAWDEXPHCO-CQSZACIVSA-N 1 1 321.377 1.690 20 5 DDBDMO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995645 353500734 /nfs/dbraw/zinc/50/07/34/353500734.db2.gz QFAQRGOPRPFSCO-LLVKDONJSA-N 1 1 322.365 1.074 20 5 DDBDMO Cc1ccnc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145249 353791613 /nfs/dbraw/zinc/79/16/13/353791613.db2.gz FQNFOHSQIWESEZ-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccnc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000090145249 353791615 /nfs/dbraw/zinc/79/16/15/353791615.db2.gz FQNFOHSQIWESEZ-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000355801745 291012901 /nfs/dbraw/zinc/01/29/01/291012901.db2.gz OBXXBXOMGGKELO-UHFFFAOYSA-N 1 1 315.377 1.646 20 5 DDBDMO Nc1c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000141453852 354140156 /nfs/dbraw/zinc/14/01/56/354140156.db2.gz HBJNVCXFCWWYPV-LLVKDONJSA-N 1 1 322.340 1.626 20 5 DDBDMO COc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157631221 354225995 /nfs/dbraw/zinc/22/59/95/354225995.db2.gz HFBKPJABSVGMIS-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157631221 354225996 /nfs/dbraw/zinc/22/59/96/354225996.db2.gz HFBKPJABSVGMIS-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192520 283017550 /nfs/dbraw/zinc/01/75/50/283017550.db2.gz NLMHDWPAINVCFG-AXFHLTTASA-N 1 1 307.354 1.120 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293092927 354454074 /nfs/dbraw/zinc/45/40/74/354454074.db2.gz KMLIRUHSONPMPN-NSHDSACASA-N 1 1 307.350 1.288 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000317784204 354512732 /nfs/dbraw/zinc/51/27/32/354512732.db2.gz XWFFGYKTDCAADJ-NSHDSACASA-N 1 1 303.322 1.281 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000317784204 354512734 /nfs/dbraw/zinc/51/27/34/354512734.db2.gz XWFFGYKTDCAADJ-NSHDSACASA-N 1 1 303.322 1.281 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCC[N@@H+](C)CC1 ZINC000588816018 354938575 /nfs/dbraw/zinc/93/85/75/354938575.db2.gz KVOKFEJDBSHHJB-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCCN(C)CC1 ZINC000588816018 354938577 /nfs/dbraw/zinc/93/85/77/354938577.db2.gz KVOKFEJDBSHHJB-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1CCCN(C)CC1 ZINC000588816018 354938578 /nfs/dbraw/zinc/93/85/78/354938578.db2.gz KVOKFEJDBSHHJB-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000590141908 355053098 /nfs/dbraw/zinc/05/30/98/355053098.db2.gz IKWCJWCYWIVQRG-MRXNPFEDSA-N 1 1 320.393 1.591 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403652 355086223 /nfs/dbraw/zinc/08/62/23/355086223.db2.gz LLZRDAJUGYRHRW-ZJUUUORDSA-N 1 1 309.370 1.606 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590443430 355097222 /nfs/dbraw/zinc/09/72/22/355097222.db2.gz IRCCTHOBQYUGRL-BXUZGUMPSA-N 1 1 305.334 1.136 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590447418 355099544 /nfs/dbraw/zinc/09/95/44/355099544.db2.gz XDCSNEKQAIPBIM-CMPLNLGQSA-N 1 1 305.334 1.380 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000590685649 355146973 /nfs/dbraw/zinc/14/69/73/355146973.db2.gz HYNULAHNTKCNMM-AWEZNQCLSA-N 1 1 306.366 1.681 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505191 355322310 /nfs/dbraw/zinc/32/23/10/355322310.db2.gz DOKXVNXAAOMFOI-NEPJUHHUSA-N 1 1 322.361 1.816 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256421 355548609 /nfs/dbraw/zinc/54/86/09/355548609.db2.gz YYVKIUTXUBTMKW-RYUDHWBXSA-N 1 1 321.381 1.478 20 5 DDBDMO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000592833240 355707674 /nfs/dbraw/zinc/70/76/74/355707674.db2.gz XKDAVOJZALXMDM-CQSZACIVSA-N 1 1 321.377 1.916 20 5 DDBDMO CCOC(=O)CC[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593006568 355767437 /nfs/dbraw/zinc/76/74/37/355767437.db2.gz GQLGSIVLYSLKHA-UHFFFAOYSA-N 1 1 324.333 1.766 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593006568 355767442 /nfs/dbraw/zinc/76/74/42/355767442.db2.gz GQLGSIVLYSLKHA-UHFFFAOYSA-N 1 1 324.333 1.766 20 5 DDBDMO CN(CC[NH+]1CCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000593883549 356040716 /nfs/dbraw/zinc/04/07/16/356040716.db2.gz OLXWWCIRSUEDHN-UHFFFAOYSA-N 1 1 307.350 1.858 20 5 DDBDMO C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CC(C)C1 ZINC000594360113 356182250 /nfs/dbraw/zinc/18/22/50/356182250.db2.gz DKNGJRPVYKRVCT-GFCCVEGCSA-N 1 1 319.361 1.656 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594600570 356261014 /nfs/dbraw/zinc/26/10/14/356261014.db2.gz MFEFLQSWRUFQBP-QWHCGFSZSA-N 1 1 319.365 1.518 20 5 DDBDMO CCN1CC[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373218 356469372 /nfs/dbraw/zinc/46/93/72/356469372.db2.gz YPFNLAJVTUIKPC-WCQYABFASA-N 1 1 319.365 1.097 20 5 DDBDMO CCN1CC[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373218 356469377 /nfs/dbraw/zinc/46/93/77/356469377.db2.gz YPFNLAJVTUIKPC-WCQYABFASA-N 1 1 319.365 1.097 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595477493 356509642 /nfs/dbraw/zinc/50/96/42/356509642.db2.gz UOUQAPAHMKRUCZ-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1COCCO1 ZINC000595742126 356631206 /nfs/dbraw/zinc/63/12/06/356631206.db2.gz ODPMDWFNFBDSCN-AWEZNQCLSA-N 1 1 324.333 1.309 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1COCCO1 ZINC000595742126 356631207 /nfs/dbraw/zinc/63/12/07/356631207.db2.gz ODPMDWFNFBDSCN-AWEZNQCLSA-N 1 1 324.333 1.309 20 5 DDBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816418 356662274 /nfs/dbraw/zinc/66/22/74/356662274.db2.gz WZMKQJBKGLOCLA-OCCSQVGLSA-N 1 1 324.381 1.186 20 5 DDBDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595801186 356656554 /nfs/dbraw/zinc/65/65/54/356656554.db2.gz FHEWYVADZLWAJG-INIZCTEOSA-N 1 1 322.361 1.791 20 5 DDBDMO COC[C@]1(C(=O)OC)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595801186 356656557 /nfs/dbraw/zinc/65/65/57/356656557.db2.gz FHEWYVADZLWAJG-INIZCTEOSA-N 1 1 322.361 1.791 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596176409 356803061 /nfs/dbraw/zinc/80/30/61/356803061.db2.gz FVCYCRMVWFQOGI-WDEREUQCSA-N 1 1 306.366 1.613 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596189727 356806916 /nfs/dbraw/zinc/80/69/16/356806916.db2.gz QGHLRECYVULPHF-YGRLFVJLSA-N 1 1 304.350 1.224 20 5 DDBDMO Cc1nn(C)c(N[C@@H](C)C[N@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596364583 356864318 /nfs/dbraw/zinc/86/43/18/356864318.db2.gz PAAVRFNCBXJUDU-NSHDSACASA-N 1 1 312.418 1.321 20 5 DDBDMO Cc1nn(C)c(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1[N+](=O)[O-] ZINC000596364583 356864320 /nfs/dbraw/zinc/86/43/20/356864320.db2.gz PAAVRFNCBXJUDU-NSHDSACASA-N 1 1 312.418 1.321 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859015 357360861 /nfs/dbraw/zinc/36/08/61/357360861.db2.gz PYBRHMJKHBMVGF-JTQLQIEISA-N 1 1 309.370 1.239 20 5 DDBDMO CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CC[N@@H+](C)C1 ZINC000597943935 357392845 /nfs/dbraw/zinc/39/28/45/357392845.db2.gz BCAISPCHHSAIES-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598220995 357497533 /nfs/dbraw/zinc/49/75/33/357497533.db2.gz SZSJEJXPOOVWLF-SNVBAGLBSA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598220995 357497536 /nfs/dbraw/zinc/49/75/36/357497536.db2.gz SZSJEJXPOOVWLF-SNVBAGLBSA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598220995 357497543 /nfs/dbraw/zinc/49/75/43/357497543.db2.gz SZSJEJXPOOVWLF-SNVBAGLBSA-N 1 1 307.354 1.455 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCC1 ZINC000599412155 357925881 /nfs/dbraw/zinc/92/58/81/357925881.db2.gz GIKYEOLAKLQVRX-CQSZACIVSA-N 1 1 308.378 1.735 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531343 357964757 /nfs/dbraw/zinc/96/47/57/357964757.db2.gz SYWBHMBENMPIHT-KBPBESRZSA-N 1 1 324.377 1.415 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624096 357996459 /nfs/dbraw/zinc/99/64/59/357996459.db2.gz PFTKEMMCNOAEOF-VBNZEHGJSA-N 1 1 308.378 1.969 20 5 DDBDMO COC(=O)[C@](C)(NC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599648752 358006371 /nfs/dbraw/zinc/00/63/71/358006371.db2.gz FAWVWPIHGPCJBM-GDBMZVCRSA-N 1 1 321.377 1.667 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000600315271 358194180 /nfs/dbraw/zinc/19/41/80/358194180.db2.gz QVWDRXAJJYEMJL-LLVKDONJSA-N 1 1 309.370 1.273 20 5 DDBDMO CCOc1ccc([C@H](C)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600710235 358290864 /nfs/dbraw/zinc/29/08/64/358290864.db2.gz MUAJAHXTJXTOAZ-WCQYABFASA-N 1 1 309.366 1.633 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C2CN(c3ccncn3)C2)c(F)c1 ZINC000601157831 358425914 /nfs/dbraw/zinc/42/59/14/358425914.db2.gz GSLAJGSSXQSQAC-UHFFFAOYSA-N 1 1 303.297 1.502 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601775616 358689989 /nfs/dbraw/zinc/68/99/89/358689989.db2.gz GMVPMGCBAMOCIP-OAHLLOKOSA-N 1 1 309.366 1.260 20 5 DDBDMO CCCNC(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602437471 358975457 /nfs/dbraw/zinc/97/54/57/358975457.db2.gz YPPQVCORUAFDJL-UHFFFAOYSA-N 1 1 309.370 1.067 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602476385 359003962 /nfs/dbraw/zinc/00/39/62/359003962.db2.gz MJJIZRIVVLQPIJ-SNVBAGLBSA-N 1 1 310.354 1.492 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602476385 359003966 /nfs/dbraw/zinc/00/39/66/359003966.db2.gz MJJIZRIVVLQPIJ-SNVBAGLBSA-N 1 1 310.354 1.492 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602673578 359117661 /nfs/dbraw/zinc/11/76/61/359117661.db2.gz WAVQSHPJGFRCTJ-GXFFZTMASA-N 1 1 302.334 1.872 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000602771580 359178950 /nfs/dbraw/zinc/17/89/50/359178950.db2.gz FLFZTIUSGSAYHZ-CYBMUJFWSA-N 1 1 304.354 1.633 20 5 DDBDMO COC(=O)[C@]1(C)CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602843903 359232515 /nfs/dbraw/zinc/23/25/15/359232515.db2.gz LEGOTHFWKFPEIH-CQSZACIVSA-N 1 1 310.354 1.375 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@H](OC)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963872 359328021 /nfs/dbraw/zinc/32/80/21/359328021.db2.gz JLEQPQOAGDOFCA-IUODEOHRSA-N 1 1 310.350 1.575 20 5 DDBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000603397052 359614479 /nfs/dbraw/zinc/61/44/79/359614479.db2.gz JLXYIIWSUFYJGA-OLZOCXBDSA-N 1 1 306.366 1.901 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000187194739 200075459 /nfs/dbraw/zinc/07/54/59/200075459.db2.gz DMBWAIRPECDWNB-JQWIXIFHSA-N 1 1 320.349 1.252 20 5 DDBDMO CO[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000189330496 200383477 /nfs/dbraw/zinc/38/34/77/200383477.db2.gz FWNVTPSLKZWTNH-HZMBPMFUSA-N 1 1 307.350 1.551 20 5 DDBDMO CC[N@@H+](CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000609045017 360257954 /nfs/dbraw/zinc/25/79/54/360257954.db2.gz QGAWZIDDZAUDDH-UHFFFAOYSA-N 1 1 323.393 1.992 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208767 360391037 /nfs/dbraw/zinc/39/10/37/360391037.db2.gz KRPRCMCVDQXJMO-DGCLKSJQSA-N 1 1 321.377 1.745 20 5 DDBDMO Cc1nccc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000610447557 360438650 /nfs/dbraw/zinc/43/86/50/360438650.db2.gz XIOWDHRTZQULRN-ZDUSSCGKSA-N 1 1 316.365 1.769 20 5 DDBDMO CN(C(=O)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000610484795 360447322 /nfs/dbraw/zinc/44/73/22/360447322.db2.gz KHWLRTKOQWUORG-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000610484795 360447328 /nfs/dbraw/zinc/44/73/28/360447328.db2.gz KHWLRTKOQWUORG-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO CCNC(=O)C[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610367968 360422761 /nfs/dbraw/zinc/42/27/61/360422761.db2.gz SOCUXGQDXUWIBY-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO CCNC(=O)C[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610367968 360422766 /nfs/dbraw/zinc/42/27/66/360422766.db2.gz SOCUXGQDXUWIBY-UHFFFAOYSA-N 1 1 311.338 1.050 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cn(C)nn1 ZINC000611973560 360877461 /nfs/dbraw/zinc/87/74/61/360877461.db2.gz RFMLZPGJZYNLNE-JTQLQIEISA-N 1 1 318.337 1.230 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000359058416 299316417 /nfs/dbraw/zinc/31/64/17/299316417.db2.gz WYNACLBOMOERFV-NSHDSACASA-N 1 1 306.366 1.680 20 5 DDBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713157 223213014 /nfs/dbraw/zinc/21/30/14/223213014.db2.gz SVHQUAJLFACGAS-NEPJUHHUSA-N 1 1 311.357 1.934 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000281462140 216317127 /nfs/dbraw/zinc/31/71/27/216317127.db2.gz RHFRMQZCMFXGOA-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000281462140 216317130 /nfs/dbraw/zinc/31/71/30/216317130.db2.gz RHFRMQZCMFXGOA-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000619578160 364070990 /nfs/dbraw/zinc/07/09/90/364070990.db2.gz AZYZTKRUBVPFSB-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113757 212129565 /nfs/dbraw/zinc/12/95/65/212129565.db2.gz YQSWSUDAAPESPW-XHDPSFHLSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113757 212129567 /nfs/dbraw/zinc/12/95/67/212129567.db2.gz YQSWSUDAAPESPW-XHDPSFHLSA-N 1 1 319.361 1.857 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282271329 216873630 /nfs/dbraw/zinc/87/36/30/216873630.db2.gz HPWSVYHUXSHRAZ-AEGPPILISA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275043829 212089884 /nfs/dbraw/zinc/08/98/84/212089884.db2.gz YMCJDXKWXPGWCZ-SNVBAGLBSA-N 1 1 300.318 1.797 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275043829 212089886 /nfs/dbraw/zinc/08/98/86/212089886.db2.gz YMCJDXKWXPGWCZ-SNVBAGLBSA-N 1 1 300.318 1.797 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000093212064 193216984 /nfs/dbraw/zinc/21/69/84/193216984.db2.gz ATQDJWWAAABLSQ-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000264808903 204173924 /nfs/dbraw/zinc/17/39/24/204173924.db2.gz OONAHVWZDAAFHJ-UHFFFAOYSA-N 1 1 324.406 1.172 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266231238 205201976 /nfs/dbraw/zinc/20/19/76/205201976.db2.gz JMOIBSAMUURWQI-LLVKDONJSA-N 1 1 321.381 1.399 20 5 DDBDMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382017 205305623 /nfs/dbraw/zinc/30/56/23/205305623.db2.gz AYSUYPNZTOOVQW-ZYHUDNBSSA-N 1 1 322.390 1.833 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365958 206015465 /nfs/dbraw/zinc/01/54/65/206015465.db2.gz XHZBLBNREQWVGU-QWHCGFSZSA-N 1 1 318.377 1.842 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000121124599 248270632 /nfs/dbraw/zinc/27/06/32/248270632.db2.gz WPZVXRQXTAEJLT-WFASDCNBSA-N 1 1 321.377 1.772 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000273927769 211181845 /nfs/dbraw/zinc/18/18/45/211181845.db2.gz FDVOHMWQQDBROA-ZDUSSCGKSA-N 1 1 304.350 1.631 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000273927769 211181848 /nfs/dbraw/zinc/18/18/48/211181848.db2.gz FDVOHMWQQDBROA-ZDUSSCGKSA-N 1 1 304.350 1.631 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000285244886 218349936 /nfs/dbraw/zinc/34/99/36/218349936.db2.gz CARKFRSAMJYRSB-RWMBFGLXSA-N 1 1 310.350 1.444 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000066140445 184392482 /nfs/dbraw/zinc/39/24/82/184392482.db2.gz MJQMYAVUEWNTBH-NSHDSACASA-N 1 1 311.386 1.336 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000264580159 285110615 /nfs/dbraw/zinc/11/06/15/285110615.db2.gz CBESRBKEPVCGJY-OAHLLOKOSA-N 1 1 324.402 1.789 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000264580159 285110616 /nfs/dbraw/zinc/11/06/16/285110616.db2.gz CBESRBKEPVCGJY-OAHLLOKOSA-N 1 1 324.402 1.789 20 5 DDBDMO COc1cc(C[N@@H+]2CCSC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000352546439 285131349 /nfs/dbraw/zinc/13/13/49/285131349.db2.gz VFUPNSNYDDVRBJ-LBPRGKRZSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1cc(C[N@H+]2CCSC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000352546439 285131351 /nfs/dbraw/zinc/13/13/51/285131351.db2.gz VFUPNSNYDDVRBJ-LBPRGKRZSA-N 1 1 312.391 1.903 20 5 DDBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000452102746 533136408 /nfs/dbraw/zinc/13/64/08/533136408.db2.gz LCHQKLZGTLFAJK-LBPRGKRZSA-N 1 1 321.377 1.942 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000444750489 533171768 /nfs/dbraw/zinc/17/17/68/533171768.db2.gz DXXDWRKXOGSZBE-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000295848886 533528540 /nfs/dbraw/zinc/52/85/40/533528540.db2.gz DHSAYSQDUCSHKB-AOOOYVTPSA-N 1 1 323.324 1.376 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000013694383 406866658 /nfs/dbraw/zinc/86/66/58/406866658.db2.gz JUNBJUFFHAJXSC-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000026711241 406905607 /nfs/dbraw/zinc/90/56/07/406905607.db2.gz RNABSOVOMPQBII-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000026711241 406905610 /nfs/dbraw/zinc/90/56/10/406905610.db2.gz RNABSOVOMPQBII-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO CO[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000076345961 406965815 /nfs/dbraw/zinc/96/58/15/406965815.db2.gz SRGIAYKIRHBLMQ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CO[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000076345961 406965817 /nfs/dbraw/zinc/96/58/17/406965817.db2.gz SRGIAYKIRHBLMQ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO COc1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000101627873 407313044 /nfs/dbraw/zinc/31/30/44/407313044.db2.gz QXKYOOXJQFPNNN-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000103284075 407335780 /nfs/dbraw/zinc/33/57/80/407335780.db2.gz ILKCSPUSYCBXHT-VXGBXAGGSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283671 407336086 /nfs/dbraw/zinc/33/60/86/407336086.db2.gz ROGFRWFIJNZMQZ-QWHCGFSZSA-N 1 1 321.377 1.950 20 5 DDBDMO Nc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783147 407390266 /nfs/dbraw/zinc/39/02/66/407390266.db2.gz DOLUTBXXIPAMOS-SNVBAGLBSA-N 1 1 304.350 1.391 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125636668 407394281 /nfs/dbraw/zinc/39/42/81/407394281.db2.gz AHDPXVWDWSREPR-NSHDSACASA-N 1 1 314.345 1.825 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000113225732 407478333 /nfs/dbraw/zinc/47/83/33/407478333.db2.gz ZJLFGGFCYWXNAQ-NWDGAFQWSA-N 1 1 321.381 1.222 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000266608774 407577615 /nfs/dbraw/zinc/57/76/15/407577615.db2.gz VRUVQVMHBMKPBC-UHFFFAOYSA-N 1 1 320.353 1.595 20 5 DDBDMO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261693761 407581800 /nfs/dbraw/zinc/58/18/00/407581800.db2.gz IUGYHNRMWCWOSX-BDAKNGLRSA-N 1 1 303.322 1.280 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000151962193 407533473 /nfs/dbraw/zinc/53/34/73/407533473.db2.gz PZIKDKLHIZQRIB-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464775 407540813 /nfs/dbraw/zinc/54/08/13/407540813.db2.gz ANTVJYIWWLQXLU-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464775 407540819 /nfs/dbraw/zinc/54/08/19/407540819.db2.gz ANTVJYIWWLQXLU-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464775 407540823 /nfs/dbraw/zinc/54/08/23/407540823.db2.gz ANTVJYIWWLQXLU-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO C[N@H+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000266744935 407620959 /nfs/dbraw/zinc/62/09/59/407620959.db2.gz FWIIPMGVMPSAAU-UHFFFAOYSA-N 1 1 306.366 1.484 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115443610 407682164 /nfs/dbraw/zinc/68/21/64/407682164.db2.gz PPMAYMYLUVEZFZ-GFCCVEGCSA-N 1 1 306.366 1.712 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117259848 407817765 /nfs/dbraw/zinc/81/77/65/407817765.db2.gz VOCBFXJQZAAZSS-UHFFFAOYSA-N 1 1 318.333 1.118 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000245715110 408050675 /nfs/dbraw/zinc/05/06/75/408050675.db2.gz NXDVFILTVWYRNR-ZYHUDNBSSA-N 1 1 306.366 1.636 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272577424 407992434 /nfs/dbraw/zinc/99/24/34/407992434.db2.gz GJQORMICQLVFOZ-IUODEOHRSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000182779260 408249403 /nfs/dbraw/zinc/24/94/03/408249403.db2.gz DFGDETZCCSEJPC-LBPRGKRZSA-N 1 1 318.377 1.120 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451263 408314618 /nfs/dbraw/zinc/31/46/18/408314618.db2.gz GILOLGJBIFUTGS-LLVKDONJSA-N 1 1 323.397 1.855 20 5 DDBDMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451263 408314624 /nfs/dbraw/zinc/31/46/24/408314624.db2.gz GILOLGJBIFUTGS-LLVKDONJSA-N 1 1 323.397 1.855 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269451263 408314627 /nfs/dbraw/zinc/31/46/27/408314627.db2.gz GILOLGJBIFUTGS-LLVKDONJSA-N 1 1 323.397 1.855 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269379622 408289069 /nfs/dbraw/zinc/28/90/69/408289069.db2.gz JBFIKGUPCVGDTL-LLVKDONJSA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269379622 408289074 /nfs/dbraw/zinc/28/90/74/408289074.db2.gz JBFIKGUPCVGDTL-LLVKDONJSA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269432741 408307602 /nfs/dbraw/zinc/30/76/02/408307602.db2.gz CIWNUFWVEGQKAL-GXSJLCMTSA-N 1 1 321.381 1.654 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190874305 408335045 /nfs/dbraw/zinc/33/50/45/408335045.db2.gz WGOCPRNAGCYJAW-UWVGGRQHSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190874305 408335049 /nfs/dbraw/zinc/33/50/49/408335049.db2.gz WGOCPRNAGCYJAW-UWVGGRQHSA-N 1 1 302.758 1.812 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134916911 162089980 /nfs/dbraw/zinc/08/99/80/162089980.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 1 1 319.409 1.740 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247104516 408409145 /nfs/dbraw/zinc/40/91/45/408409145.db2.gz SOPMXKQHYALAQB-QWHCGFSZSA-N 1 1 318.377 1.614 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421241 408529452 /nfs/dbraw/zinc/52/94/52/408529452.db2.gz GDVVUGMASBDFLJ-ZWNOBZJWSA-N 1 1 307.350 1.429 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177198719 408549725 /nfs/dbraw/zinc/54/97/25/408549725.db2.gz SKEKEJPYNHMTPE-RYUDHWBXSA-N 1 1 319.361 1.715 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)C1CCC1 ZINC000275920617 408720011 /nfs/dbraw/zinc/72/00/11/408720011.db2.gz ZHBWHZMZGCSSFV-ZDUSSCGKSA-N 1 1 310.350 1.181 20 5 DDBDMO COc1ccc(OCC[N@@H+](CCO)C2CCC2)c([N+](=O)[O-])c1 ZINC000275819345 408687601 /nfs/dbraw/zinc/68/76/01/408687601.db2.gz JGKVYBSIMWXLSG-UHFFFAOYSA-N 1 1 310.350 1.829 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000251604252 408781738 /nfs/dbraw/zinc/78/17/38/408781738.db2.gz FWNVTPSLKZWTNH-IINYFYTJSA-N 1 1 307.350 1.551 20 5 DDBDMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193868021 408750706 /nfs/dbraw/zinc/75/07/06/408750706.db2.gz BPNRGAYKYROOIS-UHFFFAOYSA-N 1 1 317.342 1.060 20 5 DDBDMO C[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193868021 408750708 /nfs/dbraw/zinc/75/07/08/408750708.db2.gz BPNRGAYKYROOIS-UHFFFAOYSA-N 1 1 317.342 1.060 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000285845344 408875465 /nfs/dbraw/zinc/87/54/65/408875465.db2.gz HUEHMKNQMVPUBP-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290796089 408834647 /nfs/dbraw/zinc/83/46/47/408834647.db2.gz OXZPUSXUKRAAAE-LLVKDONJSA-N 1 1 321.381 1.257 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000276411089 408852229 /nfs/dbraw/zinc/85/22/29/408852229.db2.gz RRUVDDXPKGWLRN-UHFFFAOYSA-N 1 1 316.361 1.827 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188792545 163070542 /nfs/dbraw/zinc/07/05/42/163070542.db2.gz PPKAVXKEHMHQJX-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188792545 163070543 /nfs/dbraw/zinc/07/05/43/163070543.db2.gz PPKAVXKEHMHQJX-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000293405267 409106188 /nfs/dbraw/zinc/10/61/88/409106188.db2.gz MVCCVHAURGXRHH-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN(C)CC[NH+](C)C ZINC000293405267 409106192 /nfs/dbraw/zinc/10/61/92/409106192.db2.gz MVCCVHAURGXRHH-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000289190800 409231300 /nfs/dbraw/zinc/23/13/00/409231300.db2.gz IXMHNZSEULSLSI-OAHLLOKOSA-N 1 1 321.381 1.486 20 5 DDBDMO CC(C)(CCC(=O)NCC[N@H+]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000294186827 409256680 /nfs/dbraw/zinc/25/66/80/409256680.db2.gz AXCSYWULBQCGCA-UHFFFAOYSA-N 1 1 319.405 1.996 20 5 DDBDMO COc1c(C)cnc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000295110656 409326660 /nfs/dbraw/zinc/32/66/60/409326660.db2.gz HPPQLAUHRRGHNS-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO COc1c(C)c[nH+]c(CN(C)CCn2ccc([N+](=O)[O-])n2)c1C ZINC000295110656 409326674 /nfs/dbraw/zinc/32/66/74/409326674.db2.gz HPPQLAUHRRGHNS-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000296094260 409426777 /nfs/dbraw/zinc/42/67/77/409426777.db2.gz DEEQKEVEFOYANT-INIZCTEOSA-N 1 1 322.361 1.649 20 5 DDBDMO COC[C@]1(C)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296906843 409696637 /nfs/dbraw/zinc/69/66/37/409696637.db2.gz WALOIXWUGDGSFI-MRXNPFEDSA-N 1 1 321.377 1.916 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296906843 409696646 /nfs/dbraw/zinc/69/66/46/409696646.db2.gz WALOIXWUGDGSFI-MRXNPFEDSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052865 409661910 /nfs/dbraw/zinc/66/19/10/409661910.db2.gz NHUSBRMWLRWMLF-DZGCQCFKSA-N 1 1 310.398 1.910 20 5 DDBDMO C[C@@H]1[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000357041242 409809758 /nfs/dbraw/zinc/80/97/58/409809758.db2.gz QMAHKHJNKVKHEN-MNOVXSKESA-N 1 1 306.366 1.218 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000332027115 409815435 /nfs/dbraw/zinc/81/54/35/409815435.db2.gz UHCQXTOZBHWWMH-RYUDHWBXSA-N 1 1 321.381 1.510 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000332027115 409815442 /nfs/dbraw/zinc/81/54/42/409815442.db2.gz UHCQXTOZBHWWMH-RYUDHWBXSA-N 1 1 321.381 1.510 20 5 DDBDMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1CCOC ZINC000346650304 410058961 /nfs/dbraw/zinc/05/89/61/410058961.db2.gz GLWCVTISFIXVIT-CQSZACIVSA-N 1 1 308.382 1.927 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357624728 410142558 /nfs/dbraw/zinc/14/25/58/410142558.db2.gz BMZVOJLEUDUIBD-GFCCVEGCSA-N 1 1 307.350 1.435 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C(C)C)C2)n1 ZINC000343224018 410248979 /nfs/dbraw/zinc/24/89/79/410248979.db2.gz IDWNFSHMZGGLDR-ZDUSSCGKSA-N 1 1 322.365 1.553 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000351773562 410223255 /nfs/dbraw/zinc/22/32/55/410223255.db2.gz HFFCSLWHRYPXEV-JOYOIKCWSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000351773562 410223261 /nfs/dbraw/zinc/22/32/61/410223261.db2.gz HFFCSLWHRYPXEV-JOYOIKCWSA-N 1 1 304.306 1.457 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299208603 410568389 /nfs/dbraw/zinc/56/83/89/410568389.db2.gz ASLHVPPNPNNHBI-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000343568386 410539185 /nfs/dbraw/zinc/53/91/85/410539185.db2.gz KRGJYNYPXXAZLV-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352201194 410546053 /nfs/dbraw/zinc/54/60/53/410546053.db2.gz DTBGCEAGJXVXBV-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352201194 410546061 /nfs/dbraw/zinc/54/60/61/410546061.db2.gz DTBGCEAGJXVXBV-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343580958 410549886 /nfs/dbraw/zinc/54/98/86/410549886.db2.gz XYYLRHIMFQBWQE-LLVKDONJSA-N 1 1 324.356 1.920 20 5 DDBDMO CCOc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579935190 422859002 /nfs/dbraw/zinc/85/90/02/422859002.db2.gz PYMQBFCQTDSNTL-LSDHHAIUSA-N 1 1 321.377 1.903 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000355678133 410637054 /nfs/dbraw/zinc/63/70/54/410637054.db2.gz ICMIHNDPEXSMJP-OAHLLOKOSA-N 1 1 321.333 1.159 20 5 DDBDMO CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000355875730 410713261 /nfs/dbraw/zinc/71/32/61/410713261.db2.gz CVXUDNPZHOULKZ-NSHDSACASA-N 1 1 304.350 1.486 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924338 410736809 /nfs/dbraw/zinc/73/68/09/410736809.db2.gz ZBDOFTHHXBSYOZ-CABZTGNLSA-N 1 1 317.349 1.684 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301234098 410681774 /nfs/dbraw/zinc/68/17/74/410681774.db2.gz GUXYDRWVNZPVHD-JTQLQIEISA-N 1 1 307.354 1.375 20 5 DDBDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000353051131 410760562 /nfs/dbraw/zinc/76/05/62/410760562.db2.gz XQAIAZJSMJQUOU-MRVPVSSYSA-N 1 1 304.393 1.712 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343914969 410804962 /nfs/dbraw/zinc/80/49/62/410804962.db2.gz WJUIARQZKPMYLV-DOMZBBRYSA-N 1 1 320.393 1.919 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330675934 410869137 /nfs/dbraw/zinc/86/91/37/410869137.db2.gz SVRUPTFWEWPPMD-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330675934 410869146 /nfs/dbraw/zinc/86/91/46/410869146.db2.gz SVRUPTFWEWPPMD-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000330689940 410880223 /nfs/dbraw/zinc/88/02/23/410880223.db2.gz WDUCOQVSXWDZHM-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000330689940 410880229 /nfs/dbraw/zinc/88/02/29/410880229.db2.gz WDUCOQVSXWDZHM-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000330894256 410905005 /nfs/dbraw/zinc/90/50/05/410905005.db2.gz JYGXMPNATUHKGV-CYBMUJFWSA-N 1 1 300.742 1.831 20 5 DDBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000330894256 410905007 /nfs/dbraw/zinc/90/50/07/410905007.db2.gz JYGXMPNATUHKGV-CYBMUJFWSA-N 1 1 300.742 1.831 20 5 DDBDMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000359947267 410965199 /nfs/dbraw/zinc/96/51/99/410965199.db2.gz ZSPUINYWDHOQSN-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000359947267 410965204 /nfs/dbraw/zinc/96/52/04/410965204.db2.gz ZSPUINYWDHOQSN-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117210 410966149 /nfs/dbraw/zinc/96/61/49/410966149.db2.gz BLLUILYXXDOUDF-VNHYZAJKSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344143396 410988179 /nfs/dbraw/zinc/98/81/79/410988179.db2.gz BQBAGPBVVZNXQB-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344143396 410988184 /nfs/dbraw/zinc/98/81/84/410988184.db2.gz BQBAGPBVVZNXQB-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520544 411046651 /nfs/dbraw/zinc/04/66/51/411046651.db2.gz PMLJMNZEVFRHLV-BXUZGUMPSA-N 1 1 304.350 1.778 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331430495 411087460 /nfs/dbraw/zinc/08/74/60/411087460.db2.gz CDGQKCSYECETFG-GWCFXTLKSA-N 1 1 319.361 1.816 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356649967 411117084 /nfs/dbraw/zinc/11/70/84/411117084.db2.gz QVECLKRYNHQMAN-JTQLQIEISA-N 1 1 310.354 1.546 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353765114 411125394 /nfs/dbraw/zinc/12/53/94/411125394.db2.gz GIJMQPCQSQUTCD-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353765114 411125396 /nfs/dbraw/zinc/12/53/96/411125396.db2.gz GIJMQPCQSQUTCD-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000353765114 411125399 /nfs/dbraw/zinc/12/53/99/411125399.db2.gz GIJMQPCQSQUTCD-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000366299025 418453441 /nfs/dbraw/zinc/45/34/41/418453441.db2.gz SUOJBIIHXDKYER-GFCCVEGCSA-N 1 1 308.407 1.926 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN([C@H]3CCOC3)CC2)cc1 ZINC000366514972 418483572 /nfs/dbraw/zinc/48/35/72/418483572.db2.gz LACOSYCDSUBFQE-INIZCTEOSA-N 1 1 305.378 1.544 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000374821231 418565311 /nfs/dbraw/zinc/56/53/11/418565311.db2.gz DYRXLKABHMWOTP-XPTSAGLGSA-N 1 1 322.340 1.482 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027804 418568812 /nfs/dbraw/zinc/56/88/12/418568812.db2.gz ZUFJEMGAWFFTDD-WPRPVWTQSA-N 1 1 303.322 1.892 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035523 418571178 /nfs/dbraw/zinc/57/11/78/418571178.db2.gz NWHVANVFSOLSMD-LBPRGKRZSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000361035523 418571181 /nfs/dbraw/zinc/57/11/81/418571181.db2.gz NWHVANVFSOLSMD-LBPRGKRZSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000366933671 418540629 /nfs/dbraw/zinc/54/06/29/418540629.db2.gz LVTLCOPWIYAVCY-WPRPVWTQSA-N 1 1 321.312 1.243 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374892426 418574492 /nfs/dbraw/zinc/57/44/92/418574492.db2.gz HVMUGERGGRYLGX-UHFFFAOYSA-N 1 1 321.381 1.268 20 5 DDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000188141579 222007858 /nfs/dbraw/zinc/00/78/58/222007858.db2.gz AITCLWNFZYWQIH-UHFFFAOYSA-N 1 1 315.395 1.522 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000191758256 222108598 /nfs/dbraw/zinc/10/85/98/222108598.db2.gz XMAHFNPZSNKWDS-GFCCVEGCSA-N 1 1 323.397 1.806 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375025229 418589778 /nfs/dbraw/zinc/58/97/78/418589778.db2.gz YNFVPYGAQJSDTH-ZFWWWQNUSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000375031285 418592389 /nfs/dbraw/zinc/59/23/89/418592389.db2.gz NPCGQTGCLAWNHP-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361420459 418648974 /nfs/dbraw/zinc/64/89/74/418648974.db2.gz NORSSFFMCPMNDR-CYBMUJFWSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361420459 418648975 /nfs/dbraw/zinc/64/89/75/418648975.db2.gz NORSSFFMCPMNDR-CYBMUJFWSA-N 1 1 307.350 1.687 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347436680 418639002 /nfs/dbraw/zinc/63/90/02/418639002.db2.gz UBTODSNSMPCFQQ-UHFFFAOYSA-N 1 1 319.365 1.918 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357772220 418651997 /nfs/dbraw/zinc/65/19/97/418651997.db2.gz AFSTYQCYLFNDKH-NSHDSACASA-N 1 1 306.370 2.170 20 5 DDBDMO Cn1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000361707608 418700109 /nfs/dbraw/zinc/70/01/09/418700109.db2.gz WMAVSOZLDNEYQR-NEPJUHHUSA-N 1 1 306.366 1.490 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362055744 418745660 /nfs/dbraw/zinc/74/56/60/418745660.db2.gz NHJIIEZLYDTUFR-WCFLWFBJSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1ccnc1 ZINC000371324962 418779806 /nfs/dbraw/zinc/77/98/06/418779806.db2.gz BLOWXHVWFZAVOA-RYUDHWBXSA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1n1ccnc1 ZINC000371324962 418779809 /nfs/dbraw/zinc/77/98/09/418779809.db2.gz BLOWXHVWFZAVOA-RYUDHWBXSA-N 1 1 304.354 1.608 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371544169 418799555 /nfs/dbraw/zinc/79/95/55/418799555.db2.gz DPLVYQAWWQXUDN-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000364932568 418823430 /nfs/dbraw/zinc/82/34/30/418823430.db2.gz HIRKWORSTDBAGX-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO CCOc1cccc(N2CC[N@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000364932568 418823434 /nfs/dbraw/zinc/82/34/34/418823434.db2.gz HIRKWORSTDBAGX-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c2nonc21 ZINC000365162519 418841516 /nfs/dbraw/zinc/84/15/16/418841516.db2.gz BEEXRYWHUIQHDL-JTQLQIEISA-N 1 1 319.321 1.406 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c2nonc21 ZINC000365162519 418841519 /nfs/dbraw/zinc/84/15/19/418841519.db2.gz BEEXRYWHUIQHDL-JTQLQIEISA-N 1 1 319.321 1.406 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420960102 419384747 /nfs/dbraw/zinc/38/47/47/419384747.db2.gz RCCAWLUXPIEGAV-MCIONIFRSA-N 1 1 312.370 1.042 20 5 DDBDMO COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411902312 419459396 /nfs/dbraw/zinc/45/93/96/419459396.db2.gz HWZDNIBMBYZMPH-ZDUSSCGKSA-N 1 1 307.350 1.131 20 5 DDBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412065337 419613641 /nfs/dbraw/zinc/61/36/41/419613641.db2.gz KRBCHJIJZFHECA-HNNXBMFYSA-N 1 1 323.349 1.032 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000427594976 419689430 /nfs/dbraw/zinc/68/94/30/419689430.db2.gz BSFTXJJTWJRXHB-LLVKDONJSA-N 1 1 307.354 1.120 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CNCCO3)o2)c1 ZINC000415095711 419940990 /nfs/dbraw/zinc/94/09/90/419940990.db2.gz NTDHKMWCJDVLEJ-OAHLLOKOSA-N 1 1 317.345 1.933 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000416304216 420321103 /nfs/dbraw/zinc/32/11/03/420321103.db2.gz YRTXKVJVWFEWJT-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000416304216 420321107 /nfs/dbraw/zinc/32/11/07/420321107.db2.gz YRTXKVJVWFEWJT-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302689671 230352945 /nfs/dbraw/zinc/35/29/45/230352945.db2.gz ZCGZYFCLYZPFIE-UHFFFAOYSA-N 1 1 304.393 1.652 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000450920814 420562027 /nfs/dbraw/zinc/56/20/27/420562027.db2.gz BDUHJCGZBGGUOI-UHFFFAOYSA-N 1 1 307.398 1.818 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452121881 420621841 /nfs/dbraw/zinc/62/18/41/420621841.db2.gz GZWMJFQRBIJJHY-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(N(C)C)no1 ZINC000449257989 420977941 /nfs/dbraw/zinc/97/79/41/420977941.db2.gz NYQXMQCTRHNPIV-JTQLQIEISA-N 1 1 305.338 1.765 20 5 DDBDMO COc1ccc(CNC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449390792 421004574 /nfs/dbraw/zinc/00/45/74/421004574.db2.gz WVPKZKXSNPGFHO-CQSZACIVSA-N 1 1 323.393 1.540 20 5 DDBDMO COc1ccc(CNC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449390792 421004576 /nfs/dbraw/zinc/00/45/76/421004576.db2.gz WVPKZKXSNPGFHO-CQSZACIVSA-N 1 1 323.393 1.540 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000449539488 421023229 /nfs/dbraw/zinc/02/32/29/421023229.db2.gz WACIFKDMKGMLBY-OKILXGFUSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000449539488 421023231 /nfs/dbraw/zinc/02/32/31/421023231.db2.gz WACIFKDMKGMLBY-OKILXGFUSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000449539488 421023234 /nfs/dbraw/zinc/02/32/34/421023234.db2.gz WACIFKDMKGMLBY-OKILXGFUSA-N 1 1 307.394 1.790 20 5 DDBDMO CNc1nc(C(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000456022154 421089469 /nfs/dbraw/zinc/08/94/69/421089469.db2.gz IJTMQAAHKVEOEH-UHFFFAOYSA-N 1 1 305.338 1.023 20 5 DDBDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488014530 421064172 /nfs/dbraw/zinc/06/41/72/421064172.db2.gz ZBEDDJMRCWEWRA-OAHLLOKOSA-N 1 1 322.340 1.732 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CCCO)c(Cl)c1 ZINC000450599218 421215763 /nfs/dbraw/zinc/21/57/63/421215763.db2.gz SEFCRZFVKLZQAE-JTQLQIEISA-N 1 1 314.773 1.902 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1nccc(C)c1[N+](=O)[O-])C(C)C ZINC000450605047 421216536 /nfs/dbraw/zinc/21/65/36/421216536.db2.gz YGIDHOREOXUVAU-LBPRGKRZSA-N 1 1 324.381 1.887 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+]2CCO)n1 ZINC000450609719 421217676 /nfs/dbraw/zinc/21/76/76/421217676.db2.gz FZSZMAYFWBSXJI-ZDUSSCGKSA-N 1 1 308.382 1.865 20 5 DDBDMO C[C@@H]1COCCN1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525802641 421303447 /nfs/dbraw/zinc/30/34/47/421303447.db2.gz YTPFSXFTEOFNOK-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@H]1COCCN1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525802641 421303448 /nfs/dbraw/zinc/30/34/48/421303448.db2.gz YTPFSXFTEOFNOK-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000562351222 421355484 /nfs/dbraw/zinc/35/54/84/421355484.db2.gz SBNFYAHJSSFMEV-MRXNPFEDSA-N 1 1 318.377 1.832 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000562850367 421420442 /nfs/dbraw/zinc/42/04/42/421420442.db2.gz QSZMQSGRAOPNJX-GFCCVEGCSA-N 1 1 320.349 1.086 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000562850367 421420446 /nfs/dbraw/zinc/42/04/46/421420446.db2.gz QSZMQSGRAOPNJX-GFCCVEGCSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965933 421431724 /nfs/dbraw/zinc/43/17/24/421431724.db2.gz QFJRQASTGQOUDI-OLZOCXBDSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965933 421431727 /nfs/dbraw/zinc/43/17/27/421431727.db2.gz QFJRQASTGQOUDI-OLZOCXBDSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000549189196 421496851 /nfs/dbraw/zinc/49/68/51/421496851.db2.gz BEUGNSLVFWJYBU-WDEREUQCSA-N 1 1 321.381 1.701 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[N@H+](C4CC4)C3)c21 ZINC000566530358 421607102 /nfs/dbraw/zinc/60/71/02/421607102.db2.gz PRMPWZMAXKUPMJ-NSHDSACASA-N 1 1 313.361 2.434 20 5 DDBDMO CN1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1=O ZINC000518790860 421666864 /nfs/dbraw/zinc/66/68/64/421666864.db2.gz PJZJBOZVDANUIY-NSHDSACASA-N 1 1 317.349 1.524 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1=O ZINC000518790860 421666867 /nfs/dbraw/zinc/66/68/67/421666867.db2.gz PJZJBOZVDANUIY-NSHDSACASA-N 1 1 317.349 1.524 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571281470 421702546 /nfs/dbraw/zinc/70/25/46/421702546.db2.gz ZKUYRDAOHXXDFU-OCCSQVGLSA-N 1 1 305.334 1.305 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000556724985 421727253 /nfs/dbraw/zinc/72/72/53/421727253.db2.gz ZGMBLVAOEIUGBU-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558764592 421824831 /nfs/dbraw/zinc/82/48/31/421824831.db2.gz HMHBATUQMGNQQK-NSHDSACASA-N 1 1 309.370 1.416 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000557418464 421770305 /nfs/dbraw/zinc/77/03/05/421770305.db2.gz CSFQOPXABYETIL-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000521300912 421781184 /nfs/dbraw/zinc/78/11/84/421781184.db2.gz GKEIASKKCOPTKE-CQSZACIVSA-N 1 1 305.378 1.998 20 5 DDBDMO Cc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000594590792 422352380 /nfs/dbraw/zinc/35/23/80/422352380.db2.gz BUVDTJWJZDQZEN-UPJWGTAASA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1cc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000594590792 422352385 /nfs/dbraw/zinc/35/23/85/422352385.db2.gz BUVDTJWJZDQZEN-UPJWGTAASA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN1CCC[N@H+](C)CC1 ZINC000611296599 422474734 /nfs/dbraw/zinc/47/47/34/422474734.db2.gz CPZJRNRIHOKTAP-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCCN(C)CC1 ZINC000611296599 422474738 /nfs/dbraw/zinc/47/47/38/422474738.db2.gz CPZJRNRIHOKTAP-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCCN(C)CC1 ZINC000611296599 422474741 /nfs/dbraw/zinc/47/47/41/422474741.db2.gz CPZJRNRIHOKTAP-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345328975 272220873 /nfs/dbraw/zinc/22/08/73/272220873.db2.gz VEJKXJXFHXAEQJ-RYUDHWBXSA-N 1 1 306.366 1.606 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000345593300 272287579 /nfs/dbraw/zinc/28/75/79/272287579.db2.gz MWJZELKJMAVLQA-LLVKDONJSA-N 1 1 309.370 1.098 20 5 DDBDMO CC(=O)[C@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000330830395 273495413 /nfs/dbraw/zinc/49/54/13/273495413.db2.gz JNYINTUVRINJDD-OAHLLOKOSA-N 1 1 307.350 1.057 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000275372752 274272398 /nfs/dbraw/zinc/27/23/98/274272398.db2.gz NSTMBWMPTMBHEY-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000275372752 274272400 /nfs/dbraw/zinc/27/24/00/274272400.db2.gz NSTMBWMPTMBHEY-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272732963 276041345 /nfs/dbraw/zinc/04/13/45/276041345.db2.gz BYTNESJMNKSLBU-JTQLQIEISA-N 1 1 321.381 1.822 20 5 DDBDMO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000357965273 299034817 /nfs/dbraw/zinc/03/48/17/299034817.db2.gz QTTVCIBXTITYGH-WDEREUQCSA-N 1 1 309.370 1.321 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364210743 300358071 /nfs/dbraw/zinc/35/80/71/300358071.db2.gz FUQCMBKSISCLDA-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368596589 301061563 /nfs/dbraw/zinc/06/15/63/301061563.db2.gz VMBVMCJIFIDKHT-HZMBPMFUSA-N 1 1 304.350 1.343 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368835963 301093984 /nfs/dbraw/zinc/09/39/84/301093984.db2.gz VWSTWQHUSVTRLG-CQSZACIVSA-N 1 1 307.350 1.120 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368835963 301093987 /nfs/dbraw/zinc/09/39/87/301093987.db2.gz VWSTWQHUSVTRLG-CQSZACIVSA-N 1 1 307.350 1.120 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000369535743 301196008 /nfs/dbraw/zinc/19/60/08/301196008.db2.gz CDAZQCPDSRIJDA-UKRRQHHQSA-N 1 1 324.381 1.451 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000370421895 301335580 /nfs/dbraw/zinc/33/55/80/301335580.db2.gz PVFROLWNQOUUIQ-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCc1c[nH+]c2n1CCCC2 ZINC000375389467 301930115 /nfs/dbraw/zinc/93/01/15/301930115.db2.gz RPXUCJJVSIEELQ-UHFFFAOYSA-N 1 1 314.345 1.987 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000376223751 302052047 /nfs/dbraw/zinc/05/20/47/302052047.db2.gz CEEJUERDDHHJCC-CQSZACIVSA-N 1 1 324.381 1.045 20 5 DDBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000531918228 303266038 /nfs/dbraw/zinc/26/60/38/303266038.db2.gz APWQKZBWFCKHIR-OCCSQVGLSA-N 1 1 322.365 1.296 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000367549474 307097085 /nfs/dbraw/zinc/09/70/85/307097085.db2.gz KLNFEUZAKCWXDK-UHFFFAOYSA-N 1 1 309.370 1.132 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000373164191 307180687 /nfs/dbraw/zinc/18/06/87/307180687.db2.gz DBUGOYITADFACY-JTQLQIEISA-N 1 1 307.354 1.075 20 5 DDBDMO [NH3+]Cc1nc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000564729116 308004084 /nfs/dbraw/zinc/00/40/84/308004084.db2.gz ZKSQFERTENKJKB-UHFFFAOYSA-N 1 1 319.346 1.104 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728934 484215330 /nfs/dbraw/zinc/21/53/30/484215330.db2.gz IVLIYSNHWQLVRT-YRGRVCCFSA-N 1 1 310.350 1.037 20 5 DDBDMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000589583754 490359299 /nfs/dbraw/zinc/35/92/99/490359299.db2.gz UMPARBKBZQQRTN-LLVKDONJSA-N 1 1 324.333 1.215 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000295641930 533764132 /nfs/dbraw/zinc/76/41/32/533764132.db2.gz YNCGQDDXNPYBKN-GFCCVEGCSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452387917 534058083 /nfs/dbraw/zinc/05/80/83/534058083.db2.gz IGRRYVFBYPVOES-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](F)C1 ZINC000451197871 534325947 /nfs/dbraw/zinc/32/59/47/534325947.db2.gz ONRDZYRVKPIYJQ-JTQLQIEISA-N 1 1 309.297 1.937 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](F)C1 ZINC000451197871 534325952 /nfs/dbraw/zinc/32/59/52/534325952.db2.gz ONRDZYRVKPIYJQ-JTQLQIEISA-N 1 1 309.297 1.937 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC000302005399 534449797 /nfs/dbraw/zinc/44/97/97/534449797.db2.gz UONNHDRLQGKZFB-JTQLQIEISA-N 1 1 312.395 1.656 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494231404 534889217 /nfs/dbraw/zinc/88/92/17/534889217.db2.gz ROCPWERZWOZSHN-UHFFFAOYSA-N 1 1 308.313 1.425 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000490300044 528719666 /nfs/dbraw/zinc/71/96/66/528719666.db2.gz NXDYUWPSOFCHHW-ZDUSSCGKSA-N 1 1 323.397 1.325 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000444943755 528933675 /nfs/dbraw/zinc/93/36/75/528933675.db2.gz PQERVJMTEJPNMO-UHFFFAOYSA-N 1 1 321.381 1.655 20 5 DDBDMO CCN(CC)C(=O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000748819257 700136767 /nfs/dbraw/zinc/13/67/67/700136767.db2.gz BWKHVTHIMWCBDU-UHFFFAOYSA-N 1 1 323.349 1.324 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000776879247 698145187 /nfs/dbraw/zinc/14/51/87/698145187.db2.gz SKVWYKBZUYXXPZ-ZIAGYGMSSA-N 1 1 303.322 1.167 20 5 DDBDMO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000778295538 698257983 /nfs/dbraw/zinc/25/79/83/698257983.db2.gz QRBZYAUOVZVNFY-SWHYSGLUSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000778295538 698257985 /nfs/dbraw/zinc/25/79/85/698257985.db2.gz QRBZYAUOVZVNFY-SWHYSGLUSA-N 1 1 307.350 1.214 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c2c(c1)COCO2 ZINC000782607979 698749091 /nfs/dbraw/zinc/74/90/91/698749091.db2.gz XCDXNHDBDPSXIH-DOMZBBRYSA-N 1 1 306.318 1.276 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c2c(c1)COCO2 ZINC000782607979 698749094 /nfs/dbraw/zinc/74/90/94/698749094.db2.gz XCDXNHDBDPSXIH-DOMZBBRYSA-N 1 1 306.318 1.276 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000750885135 700254288 /nfs/dbraw/zinc/25/42/88/700254288.db2.gz ZNGCPJBYCZJBMJ-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000787237363 699198833 /nfs/dbraw/zinc/19/88/33/699198833.db2.gz FTZVOTUFUCVZTN-ZWNOBZJWSA-N 1 1 318.333 1.785 20 5 DDBDMO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000732567182 699562712 /nfs/dbraw/zinc/56/27/12/699562712.db2.gz CTMPXSKEIFDPAH-UHFFFAOYSA-N 1 1 324.337 1.810 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000791053801 699608996 /nfs/dbraw/zinc/60/89/96/699608996.db2.gz HGOTYGRQKUDKOW-NSHDSACASA-N 1 1 303.156 1.691 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000791053801 699608994 /nfs/dbraw/zinc/60/89/94/699608994.db2.gz HGOTYGRQKUDKOW-NSHDSACASA-N 1 1 303.156 1.691 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794981451 699839802 /nfs/dbraw/zinc/83/98/02/699839802.db2.gz DERUTPLJMXCEIV-WDNDVIMCSA-N 1 1 306.318 1.324 20 5 DDBDMO C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000796115268 699913179 /nfs/dbraw/zinc/91/31/79/699913179.db2.gz WKVJCCAKWCELIJ-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000796115268 699913180 /nfs/dbraw/zinc/91/31/80/699913180.db2.gz WKVJCCAKWCELIJ-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO O=C1NCC2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)O1 ZINC000801547804 700319186 /nfs/dbraw/zinc/31/91/86/700319186.db2.gz ZOQXYUQWYULXLP-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO CO[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000751948067 700329777 /nfs/dbraw/zinc/32/97/77/700329777.db2.gz XDHTXQPFCMLQQT-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000751948067 700329782 /nfs/dbraw/zinc/32/97/82/700329782.db2.gz XDHTXQPFCMLQQT-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753951469 700470942 /nfs/dbraw/zinc/47/09/42/700470942.db2.gz VJGYJYQEDOVFNI-AWEZNQCLSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753951469 700470943 /nfs/dbraw/zinc/47/09/43/700470943.db2.gz VJGYJYQEDOVFNI-AWEZNQCLSA-N 1 1 308.334 1.861 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000763112324 700926009 /nfs/dbraw/zinc/92/60/09/700926009.db2.gz IHDMSGHDHMLNEY-UHFFFAOYSA-N 1 1 304.306 1.929 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406643 701318960 /nfs/dbraw/zinc/31/89/60/701318960.db2.gz PDVKGQFKAGFYLB-MNOVXSKESA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406643 701318961 /nfs/dbraw/zinc/31/89/61/701318961.db2.gz PDVKGQFKAGFYLB-MNOVXSKESA-N 1 1 306.366 1.650 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1C ZINC000771869512 701335020 /nfs/dbraw/zinc/33/50/20/701335020.db2.gz CFSXOGABTXCCDI-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)s1 ZINC000843218851 702844116 /nfs/dbraw/zinc/84/41/16/702844116.db2.gz GROYKTKMHNUFRJ-QMMMGPOBSA-N 1 1 310.335 1.975 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000869782403 703851735 /nfs/dbraw/zinc/85/17/35/703851735.db2.gz MEENGOYVSRRAKV-JTQLQIEISA-N 1 1 313.379 1.231 20 5 DDBDMO COC/C=C\C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377091 704014890 /nfs/dbraw/zinc/01/48/90/704014890.db2.gz GWKXIWXANVUAEG-BYPUDFOVSA-N 1 1 320.345 1.915 20 5 DDBDMO COC/C=C\C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870377091 704014895 /nfs/dbraw/zinc/01/48/95/704014895.db2.gz GWKXIWXANVUAEG-BYPUDFOVSA-N 1 1 320.345 1.915 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000852495440 704062360 /nfs/dbraw/zinc/06/23/60/704062360.db2.gz KXFFXVZGFSMXHA-VHDGCEQUSA-N 1 1 319.361 1.229 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000819155074 704077650 /nfs/dbraw/zinc/07/76/50/704077650.db2.gz OKXGSMGTSRQLQO-WFASDCNBSA-N 1 1 302.334 1.498 20 5 DDBDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786394 704131953 /nfs/dbraw/zinc/13/19/53/704131953.db2.gz WHMOJTVPMRIXPL-GHMZBOCLSA-N 1 1 310.354 1.748 20 5 DDBDMO Nc1ccc(N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853688502 704299863 /nfs/dbraw/zinc/29/98/63/704299863.db2.gz PGCPSMUXKSYFSU-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000823270917 705189891 /nfs/dbraw/zinc/18/98/91/705189891.db2.gz XYNNHTUNEOQRSE-NSHDSACASA-N 1 1 320.305 1.906 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824964402 705567883 /nfs/dbraw/zinc/56/78/83/705567883.db2.gz VWNOIOZLDZVTJC-AWEZNQCLSA-N 1 1 309.366 1.475 20 5 DDBDMO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000825844530 705736422 /nfs/dbraw/zinc/73/64/22/705736422.db2.gz MCYCXIWNSHGNLL-HUUCEWRRSA-N 1 1 319.361 1.323 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000826995122 705908332 /nfs/dbraw/zinc/90/83/32/705908332.db2.gz QTXSUZQIPPIELQ-CYBMUJFWSA-N 1 1 305.334 1.930 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000826995122 705908334 /nfs/dbraw/zinc/90/83/34/705908334.db2.gz QTXSUZQIPPIELQ-CYBMUJFWSA-N 1 1 305.334 1.930 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000827675020 706047238 /nfs/dbraw/zinc/04/72/38/706047238.db2.gz NHDQVPLWNOXMCS-FZMZJTMJSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000827675020 706047239 /nfs/dbraw/zinc/04/72/39/706047239.db2.gz NHDQVPLWNOXMCS-FZMZJTMJSA-N 1 1 307.350 1.181 20 5 DDBDMO Cn1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000877599247 706154564 /nfs/dbraw/zinc/15/45/64/706154564.db2.gz SEDSVQLKVZKDOX-HNNXBMFYSA-N 1 1 304.350 1.668 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000877599247 706154566 /nfs/dbraw/zinc/15/45/66/706154566.db2.gz SEDSVQLKVZKDOX-HNNXBMFYSA-N 1 1 304.350 1.668 20 5 DDBDMO CC1(C)C[C@H](O)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877754132 706200078 /nfs/dbraw/zinc/20/00/78/706200078.db2.gz WTMBMXUPXRUMFQ-LBPRGKRZSA-N 1 1 322.361 1.959 20 5 DDBDMO CC1(C)C[C@H](O)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877754132 706200080 /nfs/dbraw/zinc/20/00/80/706200080.db2.gz WTMBMXUPXRUMFQ-LBPRGKRZSA-N 1 1 322.361 1.959 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865998995 706589593 /nfs/dbraw/zinc/58/95/93/706589593.db2.gz VQSYFLNACKDAHG-NSHDSACASA-N 1 1 309.366 1.861 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000880169731 706899394 /nfs/dbraw/zinc/89/93/94/706899394.db2.gz ZGVRCHDNRGXRKW-CQSZACIVSA-N 1 1 319.361 1.373 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458975 707008624 /nfs/dbraw/zinc/00/86/24/707008624.db2.gz RIGODNAOMYOISR-GDBMZVCRSA-N 1 1 319.361 1.182 20 5 DDBDMO CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C)CC1 ZINC000897095993 708229016 /nfs/dbraw/zinc/22/90/16/708229016.db2.gz YKYSOGAKZPFNAB-UHFFFAOYSA-N 1 1 318.381 1.155 20 5 DDBDMO Cc1ccnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222611 708259897 /nfs/dbraw/zinc/25/98/97/708259897.db2.gz WEXNUHHKLXNZFT-STQMWFEESA-N 1 1 306.366 1.334 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897222715 708260530 /nfs/dbraw/zinc/26/05/30/708260530.db2.gz XANUFHXQVMLLHZ-CHWSQXEVSA-N 1 1 309.341 1.769 20 5 DDBDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956116 708670907 /nfs/dbraw/zinc/67/09/07/708670907.db2.gz JDUDKTOKEVNENP-CQSZACIVSA-N 1 1 318.377 1.728 20 5 DDBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956116 708670908 /nfs/dbraw/zinc/67/09/08/708670908.db2.gz JDUDKTOKEVNENP-CQSZACIVSA-N 1 1 318.377 1.728 20 5 DDBDMO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886006452 708680447 /nfs/dbraw/zinc/68/04/47/708680447.db2.gz RNAMWAIJCAADHY-AWEZNQCLSA-N 1 1 318.377 1.967 20 5 DDBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886006452 708680450 /nfs/dbraw/zinc/68/04/50/708680450.db2.gz RNAMWAIJCAADHY-AWEZNQCLSA-N 1 1 318.377 1.967 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3ncccn3)C2)n1 ZINC000886681122 708812816 /nfs/dbraw/zinc/81/28/16/708812816.db2.gz SLSWNTSDWOPUBX-GFCCVEGCSA-N 1 1 302.338 1.461 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090932 713126194 /nfs/dbraw/zinc/12/61/94/713126194.db2.gz BJPIUVKPLGRILA-ONGXEEELSA-N 1 1 310.379 1.233 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090932 713126197 /nfs/dbraw/zinc/12/61/97/713126197.db2.gz BJPIUVKPLGRILA-ONGXEEELSA-N 1 1 310.379 1.233 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000928093323 713127334 /nfs/dbraw/zinc/12/73/34/713127334.db2.gz BWEZXWBDDKIEJL-JQWIXIFHSA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000928093323 713127336 /nfs/dbraw/zinc/12/73/36/713127336.db2.gz BWEZXWBDDKIEJL-JQWIXIFHSA-N 1 1 324.406 1.243 20 5 DDBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000912951547 713133509 /nfs/dbraw/zinc/13/35/09/713133509.db2.gz RGBWDCLJWRWGEP-UHFFFAOYSA-N 1 1 322.365 1.221 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000928438646 713195843 /nfs/dbraw/zinc/19/58/43/713195843.db2.gz GVYAKOOSOLDLNT-GWCFXTLKSA-N 1 1 314.345 1.965 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941491 710893875 /nfs/dbraw/zinc/89/38/75/710893875.db2.gz SDWBHYGDQJPRLP-SMDDNHRTSA-N 1 1 304.350 1.095 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902906046 710953398 /nfs/dbraw/zinc/95/33/98/710953398.db2.gz RKCDXWKPFIFWPG-WCQYABFASA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000902906046 710953403 /nfs/dbraw/zinc/95/34/03/710953403.db2.gz RKCDXWKPFIFWPG-WCQYABFASA-N 1 1 324.406 1.243 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000928565723 713230831 /nfs/dbraw/zinc/23/08/31/713230831.db2.gz BIWCEQSBJOSXQU-CQSZACIVSA-N 1 1 306.366 1.607 20 5 DDBDMO COc1cc(N(C)CC[N@@H+](C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000894590760 711198389 /nfs/dbraw/zinc/19/83/89/711198389.db2.gz LDPSRESKEDHXSS-UHFFFAOYSA-N 1 1 317.773 1.617 20 5 DDBDMO C[N@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000894884681 711307790 /nfs/dbraw/zinc/30/77/90/711307790.db2.gz ILWHZOSWLIMZQZ-ZDUSSCGKSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1CO ZINC000894886092 711308990 /nfs/dbraw/zinc/30/89/90/711308990.db2.gz ULVVCPUQDFQSPB-LBPRGKRZSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1CO ZINC000894886092 711308994 /nfs/dbraw/zinc/30/89/94/711308994.db2.gz ULVVCPUQDFQSPB-LBPRGKRZSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894886955 711309012 /nfs/dbraw/zinc/30/90/12/711309012.db2.gz XUXJICKEPUKWKN-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894886955 711309015 /nfs/dbraw/zinc/30/90/15/711309015.db2.gz XUXJICKEPUKWKN-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO COC(=O)Cc1ccc(N[C@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000894996028 711356775 /nfs/dbraw/zinc/35/67/75/711356775.db2.gz IYASMIWNUOIOCP-NSHDSACASA-N 1 1 316.317 1.544 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000913538591 713249308 /nfs/dbraw/zinc/24/93/08/713249308.db2.gz FBZXNMBONSOCOM-QZERPFSJSA-N 1 1 301.346 1.913 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000895188096 711448662 /nfs/dbraw/zinc/44/86/62/711448662.db2.gz XTTYICLKPYISAS-NHAGDIPZSA-N 1 1 313.361 1.871 20 5 DDBDMO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895249501 711465512 /nfs/dbraw/zinc/46/55/12/711465512.db2.gz UVQBBJUJDQHKMM-ZANVPECISA-N 1 1 314.336 1.919 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895253668 711467567 /nfs/dbraw/zinc/46/75/67/711467567.db2.gz IZPXRBLSGRYPQC-UHFFFAOYSA-N 1 1 311.313 1.595 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895253668 711467569 /nfs/dbraw/zinc/46/75/69/711467569.db2.gz IZPXRBLSGRYPQC-UHFFFAOYSA-N 1 1 311.313 1.595 20 5 DDBDMO Cc1ccnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896517474 711736821 /nfs/dbraw/zinc/73/68/21/711736821.db2.gz GLBDMMNOEJRXKV-CYBMUJFWSA-N 1 1 306.366 1.963 20 5 DDBDMO CN1CCN(CCC[NH2+]CC[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000905033720 711914342 /nfs/dbraw/zinc/91/43/42/711914342.db2.gz HFRFKCXLWIYIIY-MRXNPFEDSA-N 1 1 306.410 1.232 20 5 DDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccccc1C(F)(F)F ZINC000905217726 711971997 /nfs/dbraw/zinc/97/19/97/711971997.db2.gz FJPGKDGWJOPXNF-SNVBAGLBSA-N 1 1 317.267 1.677 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)OCc1ccccc1 ZINC000930284976 713793722 /nfs/dbraw/zinc/79/37/22/713793722.db2.gz KAGRYUWQPMAFOJ-OAHLLOKOSA-N 1 1 321.377 1.902 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)OCc1ccccc1 ZINC000930284976 713793724 /nfs/dbraw/zinc/79/37/24/713793724.db2.gz KAGRYUWQPMAFOJ-OAHLLOKOSA-N 1 1 321.377 1.902 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000921681052 713841119 /nfs/dbraw/zinc/84/11/19/713841119.db2.gz PPKIZLWIFJQNTH-SMDDNHRTSA-N 1 1 306.366 1.529 20 5 DDBDMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000930770385 713916169 /nfs/dbraw/zinc/91/61/69/713916169.db2.gz WOJZUFSSDSCPJA-GXSJLCMTSA-N 1 1 308.338 1.818 20 5 DDBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951787 714195978 /nfs/dbraw/zinc/19/59/78/714195978.db2.gz RVRVTTIZIIGCLZ-OAHLLOKOSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccccc1CNC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922951787 714195979 /nfs/dbraw/zinc/19/59/79/714195979.db2.gz RVRVTTIZIIGCLZ-OAHLLOKOSA-N 1 1 305.378 1.938 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644233 714373712 /nfs/dbraw/zinc/37/37/12/714373712.db2.gz HKPUXNHGSIEVEU-GXTWGEPZSA-N 1 1 308.334 1.513 20 5 DDBDMO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c([N+](=O)[O-])n1 ZINC000923505348 714383017 /nfs/dbraw/zinc/38/30/17/714383017.db2.gz BTGCDINGNONGSD-CYBMUJFWSA-N 1 1 321.425 1.930 20 5 DDBDMO C[C@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705250 714652232 /nfs/dbraw/zinc/65/22/32/714652232.db2.gz YLHKBCFTWRHOJX-UICACZKSSA-N 1 1 315.373 1.901 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933910134 714699830 /nfs/dbraw/zinc/69/98/30/714699830.db2.gz SFYMNDXFLNDUHJ-CQSZACIVSA-N 1 1 308.334 1.811 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H](O)[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580224 714857899 /nfs/dbraw/zinc/85/78/99/714857899.db2.gz XDEASSXBUQIEQA-STQMWFEESA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@H](O)[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580224 714857901 /nfs/dbraw/zinc/85/79/01/714857901.db2.gz XDEASSXBUQIEQA-STQMWFEESA-N 1 1 311.313 1.328 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429749 715053141 /nfs/dbraw/zinc/05/31/41/715053141.db2.gz FJEUQCISPZCDKZ-GJZGRUSLSA-N 1 1 321.377 1.129 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@H]21 ZINC000347409206 719475088 /nfs/dbraw/zinc/47/50/88/719475088.db2.gz GYAWUDBSYJFAFF-CHWSQXEVSA-N 1 1 315.333 1.057 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164768091 721296017 /nfs/dbraw/zinc/29/60/17/721296017.db2.gz FGQNMNLOGARUAG-UHFFFAOYSA-N 1 1 303.366 1.494 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3[nH+]ccn3CC2)n1 ZINC001167182316 732809522 /nfs/dbraw/zinc/80/95/22/732809522.db2.gz RJEDNTZVGYGEOU-UHFFFAOYSA-N 1 1 317.305 1.036 20 5 DDBDMO COc1nc(NCC[NH+]2CCSCC2)nc(C)c1[N+](=O)[O-] ZINC001167833088 738957139 /nfs/dbraw/zinc/95/71/39/738957139.db2.gz YQIKHIKDRBKMSX-UHFFFAOYSA-N 1 1 313.383 1.163 20 5 DDBDMO Cc1coc(C)c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126580288 741059266 /nfs/dbraw/zinc/05/92/66/741059266.db2.gz UMIXYGAPILHFNA-UHFFFAOYSA-N 1 1 321.337 1.058 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccn[nH]1 ZINC001031557866 747029851 /nfs/dbraw/zinc/02/98/51/747029851.db2.gz JKKMRYGBCUHYFP-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCn1cnnc1 ZINC001197458643 747179469 /nfs/dbraw/zinc/17/94/69/747179469.db2.gz KMNSCUVRAZXQKW-LLVKDONJSA-N 1 1 318.337 1.145 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCn1cnnc1 ZINC001197458643 747179472 /nfs/dbraw/zinc/17/94/72/747179472.db2.gz KMNSCUVRAZXQKW-LLVKDONJSA-N 1 1 318.337 1.145 20 5 DDBDMO Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031661953 747336666 /nfs/dbraw/zinc/33/66/66/747336666.db2.gz OEAAVZARBAGJJB-HUUCEWRRSA-N 1 1 303.362 1.208 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccsc2)CC1 ZINC001005381493 749931745 /nfs/dbraw/zinc/93/17/45/749931745.db2.gz LQZKXKUPXPQCDC-ZIAGYGMSSA-N 1 1 323.418 1.836 20 5 DDBDMO CCOC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168977385 762147120 /nfs/dbraw/zinc/14/71/20/762147120.db2.gz BDBHWWROLXYGIF-MRVWCRGKSA-N 1 1 314.382 1.380 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCN(c3ncccn3)CC2)C1 ZINC001169036157 762191653 /nfs/dbraw/zinc/19/16/53/762191653.db2.gz NGALCJUFXDFBQD-KBPBESRZSA-N 1 1 305.382 1.434 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022240 762200645 /nfs/dbraw/zinc/20/06/45/762200645.db2.gz RDIJWWVYPTYAHZ-MELADBBJSA-N 1 1 308.382 1.407 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022240 762200649 /nfs/dbraw/zinc/20/06/49/762200649.db2.gz RDIJWWVYPTYAHZ-MELADBBJSA-N 1 1 308.382 1.407 20 5 DDBDMO O=C([C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024991 762202489 /nfs/dbraw/zinc/20/24/89/762202489.db2.gz IKACOTZHJRNTKI-KFWWJZLASA-N 1 1 309.410 1.909 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097203795 756973701 /nfs/dbraw/zinc/97/37/01/756973701.db2.gz XAYLIBCXLWURNG-OKILXGFUSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020139366 760614050 /nfs/dbraw/zinc/61/40/50/760614050.db2.gz ZIVPQDLASROERU-KBUPBQIOSA-N 1 1 303.362 1.397 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001086363467 761492446 /nfs/dbraw/zinc/49/24/46/761492446.db2.gz VWOWVDVOMRNJMQ-FMKGYKFTSA-N 1 1 323.418 1.706 20 5 DDBDMO O=C(NC1(C2CC[NH+](CCC3CC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000151411 761544150 /nfs/dbraw/zinc/54/41/50/761544150.db2.gz VLNMDCPMDOSCGX-HUUCEWRRSA-N 1 1 321.421 1.813 20 5 DDBDMO CC(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050518560 763695373 /nfs/dbraw/zinc/69/53/73/763695373.db2.gz BWSWBGICSNVRBQ-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO COc1ccc(C[C@@H](C)N2C[C@@H]3C[C@H]2C[N@H+]3C)c([N+](=O)[O-])c1 ZINC001170354415 766261659 /nfs/dbraw/zinc/26/16/59/766261659.db2.gz KWEOFSBBEJTLCJ-XBFCOCLRSA-N 1 1 305.378 1.923 20 5 DDBDMO CC(=O)Nc1ccc(-n2[nH]c(=O)c(CC[NH3+])c2C)cc1[N+](=O)[O-] ZINC001170342129 766274749 /nfs/dbraw/zinc/27/47/49/766274749.db2.gz AEWXPLABRUJOTL-UHFFFAOYSA-N 1 1 319.321 1.254 20 5 DDBDMO CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([N+](=O)[O-])ncn1C ZINC001048489267 769446393 /nfs/dbraw/zinc/44/63/93/769446393.db2.gz IFGPRPDYABGLDO-CLLJXQQHSA-N 1 1 321.381 1.207 20 5 DDBDMO CC[C@](N)(CO)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001170863054 771774148 /nfs/dbraw/zinc/77/41/48/771774148.db2.gz LNFRIWZAAFARKE-CQSZACIVSA-N 1 1 312.370 1.004 20 5 DDBDMO O=C1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCN1 ZINC001172906400 776917058 /nfs/dbraw/zinc/91/70/58/776917058.db2.gz XQBSTTHIZSYPLK-CQSZACIVSA-N 1 1 303.362 1.664 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101875467 777633342 /nfs/dbraw/zinc/63/33/42/777633342.db2.gz XOYJDUAUWIRRFQ-UHFFFAOYSA-N 1 1 318.337 1.065 20 5 DDBDMO C[C@](CO)([NH2+]Cc1ccnc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC001175322373 777750645 /nfs/dbraw/zinc/75/06/45/777750645.db2.gz CHLBPYAMKBIFBZ-OAHLLOKOSA-N 1 1 302.334 1.569 20 5 DDBDMO COC[C@H](O)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001178571300 779105634 /nfs/dbraw/zinc/10/56/34/779105634.db2.gz NSUQUSXMJMQFMR-MRVPVSSYSA-N 1 1 319.155 1.454 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491562 780514760 /nfs/dbraw/zinc/51/47/60/780514760.db2.gz UITGZBNXQJEUAI-BXUZGUMPSA-N 1 1 307.350 1.216 20 5 DDBDMO COC(=O)c1cnc(NCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001156006943 862625950 /nfs/dbraw/zinc/62/59/50/862625950.db2.gz HEFJVYBJDIBCAX-UHFFFAOYSA-N 1 1 305.294 1.393 20 5 DDBDMO COc1nc(N[C@H]2CC[N@H+](C3CCC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001161177734 859979378 /nfs/dbraw/zinc/97/93/78/859979378.db2.gz SMGNFEVBFCHPOB-VIFPVBQESA-N 1 1 323.353 1.441 20 5 DDBDMO CN1CC[C@H](Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1=O ZINC001156508079 863111297 /nfs/dbraw/zinc/11/12/97/863111297.db2.gz JUZJFUACAVSJOB-MALLOTDXSA-N 1 1 305.338 1.165 20 5 DDBDMO Cc1ccc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157760341 864111106 /nfs/dbraw/zinc/11/11/06/864111106.db2.gz CWYRIYCQZNIGBE-HUUCEWRRSA-N 1 1 305.378 1.565 20 5 DDBDMO C[NH+](C)Cc1ncccc1O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001225276893 881756935 /nfs/dbraw/zinc/75/69/35/881756935.db2.gz BNVPRQSNWCMMDU-HNNXBMFYSA-N 1 1 302.334 1.935 20 5 DDBDMO Cc1nnc(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)o1 ZINC001161712912 866926790 /nfs/dbraw/zinc/92/67/90/866926790.db2.gz BFVKTXPKGFPDFZ-SNAWJCMRSA-N 1 1 304.310 1.826 20 5 DDBDMO COc1c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC001321043545 867257749 /nfs/dbraw/zinc/25/77/49/867257749.db2.gz SSDMQDCDWKYZBJ-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001324437767 867280925 /nfs/dbraw/zinc/28/09/25/867280925.db2.gz BXZIUFYWYHXUNM-GJZGRUSLSA-N 1 1 319.361 1.325 20 5 DDBDMO CCCC[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(N)=O ZINC001162282462 867406283 /nfs/dbraw/zinc/40/62/83/867406283.db2.gz VTNPLPHXPNGABB-GUOLPTJISA-N 1 1 321.381 1.978 20 5 DDBDMO Cn1nnnc1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001336843046 869178523 /nfs/dbraw/zinc/17/85/23/869178523.db2.gz QKSZHHLAVVEVMI-UHFFFAOYSA-N 1 1 320.328 1.637 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@H]3COC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165269973 869481734 /nfs/dbraw/zinc/48/17/34/869481734.db2.gz ZJKQUQNYGDUGGP-JRFBKZHLSA-N 1 1 318.377 1.995 20 5 DDBDMO COC(=O)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001338246558 869882467 /nfs/dbraw/zinc/88/24/67/869882467.db2.gz GQIMHRXUKISMAA-UHFFFAOYSA-N 1 1 323.349 1.748 20 5 DDBDMO COC(=O)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001338246558 869882481 /nfs/dbraw/zinc/88/24/81/869882481.db2.gz GQIMHRXUKISMAA-UHFFFAOYSA-N 1 1 323.349 1.748 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001339318229 870444102 /nfs/dbraw/zinc/44/41/02/870444102.db2.gz SPVRSVWKEFGSQB-RWMBFGLXSA-N 1 1 319.361 1.673 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC001302600323 871074674 /nfs/dbraw/zinc/07/46/74/871074674.db2.gz AYBYDPBOJBLTRN-MRVPVSSYSA-N 1 1 315.761 1.384 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4nn[nH]n4)C3)nc2c1 ZINC001308035713 871465784 /nfs/dbraw/zinc/46/57/84/871465784.db2.gz RULSHLPCYRZOIF-MRVPVSSYSA-N 1 1 315.293 1.239 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](c4nn[nH]n4)C3)nc2c1 ZINC001308035713 871465790 /nfs/dbraw/zinc/46/57/90/871465790.db2.gz RULSHLPCYRZOIF-MRVPVSSYSA-N 1 1 315.293 1.239 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001318812831 872284577 /nfs/dbraw/zinc/28/45/77/872284577.db2.gz GKXFWXGWZHEBPG-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001347610107 874209925 /nfs/dbraw/zinc/20/99/25/874209925.db2.gz BPOLUPLRXZOPJA-LBPRGKRZSA-N 1 1 324.429 1.802 20 5 DDBDMO CC(C)(C(=O)NCC[NH+]1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC001347803094 874277519 /nfs/dbraw/zinc/27/75/19/874277519.db2.gz OPPCZHHECBDLAA-UHFFFAOYSA-N 1 1 303.362 1.860 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031229 874339330 /nfs/dbraw/zinc/33/93/30/874339330.db2.gz IQROKTLJSHSKOU-MWLCHTKSSA-N 1 1 302.338 1.532 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4c(cccc4[N+](=O)[O-])o3)[C@H]1CC(=O)C2 ZINC001227237081 882925319 /nfs/dbraw/zinc/92/53/19/882925319.db2.gz CXVVKDLJEIZCCS-RLCGTCKNSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4c(cccc4[N+](=O)[O-])o3)[C@H]1CC(=O)C2 ZINC001227237081 882925335 /nfs/dbraw/zinc/92/53/35/882925335.db2.gz CXVVKDLJEIZCCS-RLCGTCKNSA-N 1 1 317.301 1.919 20 5 DDBDMO C[C@@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001349972667 875483820 /nfs/dbraw/zinc/48/38/20/875483820.db2.gz WZADWBDAQNETCY-AXFHLTTASA-N 1 1 310.354 1.633 20 5 DDBDMO CC(C)OCCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258981 882939625 /nfs/dbraw/zinc/93/96/25/882939625.db2.gz ZOLVKAQUZLRDGZ-ZIAGYGMSSA-N 1 1 313.398 1.047 20 5 DDBDMO COC(=O)[C@H](O[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644520 881039219 /nfs/dbraw/zinc/03/92/19/881039219.db2.gz VHJWCLKWPXEDKR-BXUZGUMPSA-N 1 1 308.334 1.920 20 5 DDBDMO COc1cccc(COCC[N@@H+]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001223811884 881107024 /nfs/dbraw/zinc/10/70/24/881107024.db2.gz XDYPEMPDTQQWKD-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO C[N@H+]1CCC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365109 883947302 /nfs/dbraw/zinc/94/73/02/883947302.db2.gz RDQPMTDMOCXZGN-JTQLQIEISA-N 1 1 304.306 1.717 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230900241 885027133 /nfs/dbraw/zinc/02/71/33/885027133.db2.gz FYBTYPYSOCGVKM-SSDOTTSWSA-N 1 1 303.282 1.234 20 5 DDBDMO COc1cc(N2CCC([N@H+](C)C[C@H](C)N)CC2)ccc1[N+](=O)[O-] ZINC001246982464 893055284 /nfs/dbraw/zinc/05/52/84/893055284.db2.gz VRQPYLAFZWSKDS-LBPRGKRZSA-N 1 1 322.409 1.851 20 5 DDBDMO COc1cc(N2CCC([N@@H+](C)C[C@H](C)N)CC2)ccc1[N+](=O)[O-] ZINC001246982464 893055305 /nfs/dbraw/zinc/05/53/05/893055305.db2.gz VRQPYLAFZWSKDS-LBPRGKRZSA-N 1 1 322.409 1.851 20 5 DDBDMO C[N@@H+](CCN1CCOCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599663 896523939 /nfs/dbraw/zinc/52/39/39/896523939.db2.gz OFHWZAYEFUHVMX-INIZCTEOSA-N 1 1 305.378 1.326 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC3(C1)OCCO3)C2 ZINC001254602382 896526357 /nfs/dbraw/zinc/52/63/57/896526357.db2.gz FEYNJGRFGKTPLU-OAHLLOKOSA-N 1 1 304.346 1.901 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC001261510243 899612514 /nfs/dbraw/zinc/61/25/14/899612514.db2.gz SCMLMINJMVXOKP-AWEZNQCLSA-N 1 1 321.352 1.973 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001263067932 900480679 /nfs/dbraw/zinc/48/06/79/900480679.db2.gz ACIKCYSPHOXWOY-CJNGLKHVSA-N 1 1 318.377 1.688 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001263996117 900865208 /nfs/dbraw/zinc/86/52/08/900865208.db2.gz STGZXTBJEIJNCO-CYUUQNCZSA-N 1 1 319.361 1.085 20 5 DDBDMO CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001316631068 908416168 /nfs/dbraw/zinc/41/61/68/908416168.db2.gz RIRRWBQEVQFGBW-AAVRWANBSA-N 1 1 311.426 1.962 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249478136 282158989 /nfs/dbraw/zinc/15/89/89/282158989.db2.gz AKILFUQAIZUYFN-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000444257502 529465054 /nfs/dbraw/zinc/46/50/54/529465054.db2.gz DKKHMQNZYACXJE-LLVKDONJSA-N 1 1 307.354 1.047 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295611722 529504206 /nfs/dbraw/zinc/50/42/06/529504206.db2.gz DEXGORMKOFCEOI-JTQLQIEISA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452353503 231358221 /nfs/dbraw/zinc/35/82/21/231358221.db2.gz UPSHHOQMHJLESM-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO CC(C)(C)C[N@@H+](CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529636 185300727 /nfs/dbraw/zinc/30/07/27/185300727.db2.gz RESPYIPAROTNFD-UHFFFAOYSA-N 1 1 311.382 1.487 20 5 DDBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552549 185302668 /nfs/dbraw/zinc/30/26/68/185302668.db2.gz WWEADVNLVZWENF-LBPRGKRZSA-N 1 1 323.349 1.032 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000255640748 282271769 /nfs/dbraw/zinc/27/17/69/282271769.db2.gz TYDHVVOLCGIPTR-XHPSBEMXSA-N 1 1 301.346 1.915 20 5 DDBDMO C[N@H+](Cc1cccnc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299352075 530006203 /nfs/dbraw/zinc/00/62/03/530006203.db2.gz AHLWKJXPERRNTK-OAHLLOKOSA-N 1 1 317.345 1.862 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000293025984 282361311 /nfs/dbraw/zinc/36/13/11/282361311.db2.gz FVSVUIIQRSXRBT-STQMWFEESA-N 1 1 310.350 1.181 20 5 DDBDMO CC1=CC[N@@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000358341118 299125323 /nfs/dbraw/zinc/12/53/23/299125323.db2.gz HPTZBMKFADPCQL-UHFFFAOYSA-N 1 1 304.350 1.758 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621874 210023051 /nfs/dbraw/zinc/02/30/51/210023051.db2.gz UVHHPDIMZDTJPU-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(NCCC[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272614322 210015033 /nfs/dbraw/zinc/01/50/33/210015033.db2.gz RVQNUXXSJXNLJQ-UHFFFAOYSA-N 1 1 307.350 1.906 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272609438 210009321 /nfs/dbraw/zinc/00/93/21/210009321.db2.gz SDKVKSJVSJUMLD-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(CC(=O)NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000279910599 215228876 /nfs/dbraw/zinc/22/88/76/215228876.db2.gz FJRSNGHWPQYCLV-UHFFFAOYSA-N 1 1 303.362 1.824 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000266851792 186359025 /nfs/dbraw/zinc/35/90/25/186359025.db2.gz RFQKWIGISGMCSF-NSHDSACASA-N 1 1 307.354 1.050 20 5 DDBDMO CNc1ccc(C(=O)NCCC[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000041423271 352307254 /nfs/dbraw/zinc/30/72/54/352307254.db2.gz YSBJFTLKGRNYRH-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO CCNC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665094 191211477 /nfs/dbraw/zinc/21/14/77/191211477.db2.gz CCOAJPLKMIWBFW-NSHDSACASA-N 1 1 307.354 1.002 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072986873 191265787 /nfs/dbraw/zinc/26/57/87/191265787.db2.gz AVNOIIBWGRTLRJ-SMDDNHRTSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072986873 191265789 /nfs/dbraw/zinc/26/57/89/191265789.db2.gz AVNOIIBWGRTLRJ-SMDDNHRTSA-N 1 1 307.350 1.493 20 5 DDBDMO C[C@H](O)CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072713777 353210851 /nfs/dbraw/zinc/21/08/51/353210851.db2.gz HHDYVPXUJRPYAC-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072713777 353210854 /nfs/dbraw/zinc/21/08/54/353210854.db2.gz HHDYVPXUJRPYAC-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000072832171 353220082 /nfs/dbraw/zinc/22/00/82/353220082.db2.gz WTLYIHFJKBJXEQ-HNNXBMFYSA-N 1 1 307.325 1.836 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000072832171 353220085 /nfs/dbraw/zinc/22/00/85/353220085.db2.gz WTLYIHFJKBJXEQ-HNNXBMFYSA-N 1 1 307.325 1.836 20 5 DDBDMO C[N@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655784 198365174 /nfs/dbraw/zinc/36/51/74/198365174.db2.gz ASKIYJOPALFYLA-ZDUSSCGKSA-N 1 1 308.313 1.423 20 5 DDBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174841116 198392491 /nfs/dbraw/zinc/39/24/91/198392491.db2.gz FOOUMIHTMAYTJY-ZDUSSCGKSA-N 1 1 323.397 1.420 20 5 DDBDMO Cc1cc(N2CCCC[C@H]2C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000080605365 353617776 /nfs/dbraw/zinc/61/77/76/353617776.db2.gz KIHVQEVFZOYEHL-AWEZNQCLSA-N 1 1 320.393 1.989 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245273 353708778 /nfs/dbraw/zinc/70/87/78/353708778.db2.gz ZKFPPDTWCDGLCT-KGLIPLIRSA-N 1 1 323.393 1.281 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000093333451 353895364 /nfs/dbraw/zinc/89/53/64/353895364.db2.gz ILPWCNORGBGEOA-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000093333451 353895367 /nfs/dbraw/zinc/89/53/67/353895367.db2.gz ILPWCNORGBGEOA-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000142016684 354143507 /nfs/dbraw/zinc/14/35/07/354143507.db2.gz JSSYBNYWENUBOJ-LBPRGKRZSA-N 1 1 304.350 1.609 20 5 DDBDMO Nc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000142256813 354144347 /nfs/dbraw/zinc/14/43/47/354144347.db2.gz KYJHIUBYIVXTPU-GFCCVEGCSA-N 1 1 304.350 1.487 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293253726 354454775 /nfs/dbraw/zinc/45/47/75/354454775.db2.gz UBZSOAFOXWTKCS-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000293253726 354454779 /nfs/dbraw/zinc/45/47/79/354454779.db2.gz UBZSOAFOXWTKCS-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401789581 354667186 /nfs/dbraw/zinc/66/71/86/354667186.db2.gz VRDBDKKOTNWLNF-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401789581 354667187 /nfs/dbraw/zinc/66/71/87/354667187.db2.gz VRDBDKKOTNWLNF-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000587862311 354886361 /nfs/dbraw/zinc/88/63/61/354886361.db2.gz ZYLVHXOSICBFEU-OCCSQVGLSA-N 1 1 309.341 1.769 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000346292086 283058377 /nfs/dbraw/zinc/05/83/77/283058377.db2.gz AZGNKBRZTKIUHA-MRXNPFEDSA-N 1 1 321.352 1.831 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574575 355002161 /nfs/dbraw/zinc/00/21/61/355002161.db2.gz BNBTUNTVSHIXCL-MNOVXSKESA-N 1 1 319.365 1.152 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000589497769 354996675 /nfs/dbraw/zinc/99/66/75/354996675.db2.gz APWFZJLGSMQYJC-LBPRGKRZSA-N 1 1 321.377 1.907 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590010570 355040137 /nfs/dbraw/zinc/04/01/37/355040137.db2.gz PDPQJENEMDJWFL-FZMZJTMJSA-N 1 1 304.350 1.169 20 5 DDBDMO COC(=O)COc1ccc(C[NH+]2CC(C3CC3)C2)cc1[N+](=O)[O-] ZINC000589736761 355017649 /nfs/dbraw/zinc/01/76/49/355017649.db2.gz JIKPYURMENZQSK-UHFFFAOYSA-N 1 1 320.345 1.988 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000590446513 355099126 /nfs/dbraw/zinc/09/91/26/355099126.db2.gz WBWYIZYCOOEZEF-RISCZKNCSA-N 1 1 323.780 1.953 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446551 355099668 /nfs/dbraw/zinc/09/96/68/355099668.db2.gz UJAAVCQKXDYSIK-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196508 355533455 /nfs/dbraw/zinc/53/34/55/355533455.db2.gz CBXZXDGZKCIPFD-OLZOCXBDSA-N 1 1 308.334 1.259 20 5 DDBDMO CCCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829529 355705774 /nfs/dbraw/zinc/70/57/74/355705774.db2.gz PXAUPDBGVILBPO-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC([N@@H+]3CC[C@@H](O)C3)C1)CCCC2 ZINC000593503944 355905772 /nfs/dbraw/zinc/90/57/72/355905772.db2.gz NHLLIXKXYJLILV-CYBMUJFWSA-N 1 1 318.377 1.124 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC([N@H+]3CC[C@@H](O)C3)C1)CCCC2 ZINC000593503944 355905773 /nfs/dbraw/zinc/90/57/73/355905773.db2.gz NHLLIXKXYJLILV-CYBMUJFWSA-N 1 1 318.377 1.124 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593578991 355933118 /nfs/dbraw/zinc/93/31/18/355933118.db2.gz RQBUIIFUODOSOX-QWRGUYRKSA-N 1 1 309.341 1.827 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC000593876136 356036186 /nfs/dbraw/zinc/03/61/86/356036186.db2.gz ONQBZINNWMQJFM-UHFFFAOYSA-N 1 1 310.354 1.106 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC000593876136 356036191 /nfs/dbraw/zinc/03/61/91/356036191.db2.gz ONQBZINNWMQJFM-UHFFFAOYSA-N 1 1 310.354 1.106 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000594617035 356267369 /nfs/dbraw/zinc/26/73/69/356267369.db2.gz ZLVXERSBHYTLKY-JTQLQIEISA-N 1 1 308.334 1.711 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000594617035 356267372 /nfs/dbraw/zinc/26/73/72/356267372.db2.gz ZLVXERSBHYTLKY-JTQLQIEISA-N 1 1 308.334 1.711 20 5 DDBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ncccc1[N+](=O)[O-])C2 ZINC000594873863 356346469 /nfs/dbraw/zinc/34/64/69/356346469.db2.gz OFCXOMQMBAALMR-LLVKDONJSA-N 1 1 317.349 1.456 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3cn[nH]n3)CC2)cc1 ZINC000595329741 356450720 /nfs/dbraw/zinc/45/07/20/356450720.db2.gz BVMKLPWPZPBATH-UHFFFAOYSA-N 1 1 317.349 1.799 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595494872 356517667 /nfs/dbraw/zinc/51/76/67/356517667.db2.gz CMSZEHUVAJISER-LBPRGKRZSA-N 1 1 310.354 1.629 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595494872 356517670 /nfs/dbraw/zinc/51/76/70/356517670.db2.gz CMSZEHUVAJISER-LBPRGKRZSA-N 1 1 310.354 1.629 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595528217 356534450 /nfs/dbraw/zinc/53/44/50/356534450.db2.gz PYZVJSDWAHZNQM-UTUOFQBUSA-N 1 1 311.338 1.253 20 5 DDBDMO C[C@H]1COC2(CCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595683296 356608550 /nfs/dbraw/zinc/60/85/50/356608550.db2.gz WKMXAJAEDLSMMM-LBPRGKRZSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@H]1COC2(CCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595683296 356608554 /nfs/dbraw/zinc/60/85/54/356608554.db2.gz WKMXAJAEDLSMMM-LBPRGKRZSA-N 1 1 307.350 1.400 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756458 356638484 /nfs/dbraw/zinc/63/84/84/356638484.db2.gz GGPQELHCEMFEBK-BLLLJJGKSA-N 1 1 319.361 1.526 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836581 356671662 /nfs/dbraw/zinc/67/16/62/356671662.db2.gz WTHODXSOAQQDCG-OLZOCXBDSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836581 356671664 /nfs/dbraw/zinc/67/16/64/356671664.db2.gz WTHODXSOAQQDCG-OLZOCXBDSA-N 1 1 319.361 1.810 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871946 356686691 /nfs/dbraw/zinc/68/66/91/356686691.db2.gz IXWCYTFQLSDQEG-BMIGLBTASA-N 1 1 307.350 1.144 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935837 356711744 /nfs/dbraw/zinc/71/17/44/356711744.db2.gz WBIMUMFRVSLZOU-GFCCVEGCSA-N 1 1 321.381 1.478 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163183 356797827 /nfs/dbraw/zinc/79/78/27/356797827.db2.gz QDQGZGPQBRBEEW-RNCFNFMXSA-N 1 1 304.350 1.588 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1[N+](=O)[O-] ZINC000597218058 357097481 /nfs/dbraw/zinc/09/74/81/357097481.db2.gz GIBOPDLPIKOLFP-UHFFFAOYSA-N 1 1 308.378 1.895 20 5 DDBDMO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597945617 357394126 /nfs/dbraw/zinc/39/41/26/357394126.db2.gz JXKBXNZHCYLSJP-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647126 357668655 /nfs/dbraw/zinc/66/86/55/357668655.db2.gz BUTVSAKFMWVEFV-OLZOCXBDSA-N 1 1 324.377 1.933 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000599631897 357999055 /nfs/dbraw/zinc/99/90/55/357999055.db2.gz DWLWQOPWDGJMHT-ZCCHDVMBSA-N 1 1 324.402 1.959 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000600229969 358163156 /nfs/dbraw/zinc/16/31/56/358163156.db2.gz MFWIODXSOJTAKM-LBPRGKRZSA-N 1 1 321.381 1.465 20 5 DDBDMO Nc1c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600474578 358234796 /nfs/dbraw/zinc/23/47/96/358234796.db2.gz YZZPAVIUFPFLPJ-LBPRGKRZSA-N 1 1 318.377 1.924 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600808287 358320204 /nfs/dbraw/zinc/32/02/04/358320204.db2.gz KNBQDRMXMPJFOQ-VIFPVBQESA-N 1 1 313.741 1.045 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601101230 358402753 /nfs/dbraw/zinc/40/27/53/358402753.db2.gz UPIAJOCKLFIRBA-LBPRGKRZSA-N 1 1 312.345 1.898 20 5 DDBDMO C[C@@H](O)[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601176307 358434721 /nfs/dbraw/zinc/43/47/21/358434721.db2.gz USUQYTQOSAPINB-MEBBXXQBSA-N 1 1 303.318 1.729 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@H]2C1 ZINC000601185151 358438146 /nfs/dbraw/zinc/43/81/46/358438146.db2.gz PEDDUJCPVSNQKN-MNOVXSKESA-N 1 1 304.350 1.082 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601739848 358673295 /nfs/dbraw/zinc/67/32/95/358673295.db2.gz PYPGBZZYANVXTC-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000602143169 358843101 /nfs/dbraw/zinc/84/31/01/358843101.db2.gz RIVSSEKLGHGIIR-HNNXBMFYSA-N 1 1 319.361 1.669 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602837065 359228135 /nfs/dbraw/zinc/22/81/35/359228135.db2.gz SSLCJSSRUCPKKP-MJBXVCDLSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000602843256 359231706 /nfs/dbraw/zinc/23/17/06/359231706.db2.gz ZLUOECNMCCAGHE-CQSZACIVSA-N 1 1 308.382 1.848 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000602869366 359252965 /nfs/dbraw/zinc/25/29/65/359252965.db2.gz JORHITMDPBYIKP-QWHCGFSZSA-N 1 1 322.365 1.231 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602820571 359216017 /nfs/dbraw/zinc/21/60/17/359216017.db2.gz GTRVUIILGWYCTH-GFCCVEGCSA-N 1 1 323.397 1.013 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000602830975 359222563 /nfs/dbraw/zinc/22/25/63/359222563.db2.gz DNDYQFLUYXYZME-AWEZNQCLSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000602830975 359222567 /nfs/dbraw/zinc/22/25/67/359222567.db2.gz DNDYQFLUYXYZME-AWEZNQCLSA-N 1 1 308.382 1.991 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCn2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000603201462 359476717 /nfs/dbraw/zinc/47/67/17/359476717.db2.gz OFEBVRIBSCKIGZ-UHFFFAOYSA-N 1 1 317.349 1.861 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000603402028 359617768 /nfs/dbraw/zinc/61/77/68/359617768.db2.gz LNTLALXWOAPWBU-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000603407690 359621579 /nfs/dbraw/zinc/62/15/79/359621579.db2.gz SPOXAQZFCVGVCK-OLZOCXBDSA-N 1 1 306.366 1.901 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604278203 359731929 /nfs/dbraw/zinc/73/19/29/359731929.db2.gz SMMSNAHAYKZONE-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604278203 359731932 /nfs/dbraw/zinc/73/19/32/359731932.db2.gz SMMSNAHAYKZONE-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604278112 359731943 /nfs/dbraw/zinc/73/19/43/359731943.db2.gz HQHKMXZLOPSYGZ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604278112 359731946 /nfs/dbraw/zinc/73/19/46/359731946.db2.gz HQHKMXZLOPSYGZ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CNc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000609413055 360305397 /nfs/dbraw/zinc/30/53/97/360305397.db2.gz ZNHRUGUACHGFFR-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088225 360620000 /nfs/dbraw/zinc/62/00/00/360620000.db2.gz KHSBLFOABVWZON-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO COc1cc(C[NH+]2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000611515409 360743058 /nfs/dbraw/zinc/74/30/58/360743058.db2.gz DDFUUPNLEVRZFN-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000194162509 201188170 /nfs/dbraw/zinc/18/81/70/201188170.db2.gz SXEVHHWPLAGJQU-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000194162509 201188171 /nfs/dbraw/zinc/18/81/71/201188171.db2.gz SXEVHHWPLAGJQU-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579422463 422764341 /nfs/dbraw/zinc/76/43/41/422764341.db2.gz RKXDSZADPBWGNR-LBPRGKRZSA-N 1 1 309.366 1.393 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253549 363946610 /nfs/dbraw/zinc/94/66/10/363946610.db2.gz YTAIDAHXHDPLKB-LSDHHAIUSA-N 1 1 321.352 1.782 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000619583489 364071604 /nfs/dbraw/zinc/07/16/04/364071604.db2.gz PFABUTWZUHWVCO-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000619473975 364028339 /nfs/dbraw/zinc/02/83/39/364028339.db2.gz KRECUWJJKNRQJM-CYBMUJFWSA-N 1 1 323.397 1.421 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000274978548 212055581 /nfs/dbraw/zinc/05/55/81/212055581.db2.gz LVRONHBAQJYIMP-UHFFFAOYSA-N 1 1 316.317 1.115 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288317835 220080560 /nfs/dbraw/zinc/08/05/60/220080560.db2.gz HUTIERCHTYGXCI-LLVKDONJSA-N 1 1 323.397 1.351 20 5 DDBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416828 205331508 /nfs/dbraw/zinc/33/15/08/205331508.db2.gz HORHLHQYLUZQQV-XHDPSFHLSA-N 1 1 322.340 1.984 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266550818 205428006 /nfs/dbraw/zinc/42/80/06/205428006.db2.gz UGWKRIPEWFIKMX-GFCCVEGCSA-N 1 1 323.349 1.193 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266550818 205428011 /nfs/dbraw/zinc/42/80/11/205428011.db2.gz UGWKRIPEWFIKMX-GFCCVEGCSA-N 1 1 323.349 1.193 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000104970028 194060262 /nfs/dbraw/zinc/06/02/62/194060262.db2.gz FBKORCAFOSWFLL-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000340904204 251267050 /nfs/dbraw/zinc/26/70/50/251267050.db2.gz JAGOJEHLMOKFGU-ZYHUDNBSSA-N 1 1 323.349 1.387 20 5 DDBDMO CC[N@H+](CCC(=O)OC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000064570253 184299995 /nfs/dbraw/zinc/29/99/95/184299995.db2.gz DJAACYNUJAUQPW-UHFFFAOYSA-N 1 1 323.349 1.443 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000064570253 184299996 /nfs/dbraw/zinc/29/99/96/184299996.db2.gz DJAACYNUJAUQPW-UHFFFAOYSA-N 1 1 323.349 1.443 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119856306 195049635 /nfs/dbraw/zinc/04/96/35/195049635.db2.gz LZDSXWDIFKBHCT-OLZOCXBDSA-N 1 1 312.391 1.772 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000120202023 195118771 /nfs/dbraw/zinc/11/87/71/195118771.db2.gz XHRZIOTYENHYSJ-OCCSQVGLSA-N 1 1 304.354 1.571 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000567999831 304261008 /nfs/dbraw/zinc/26/10/08/304261008.db2.gz QXGPTMBCBGOSDU-YOGCLGLASA-N 1 1 321.381 1.556 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CO ZINC000298134942 533139006 /nfs/dbraw/zinc/13/90/06/533139006.db2.gz NVABQJQNCSTDFI-LBPRGKRZSA-N 1 1 323.349 1.389 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154790504 196992535 /nfs/dbraw/zinc/99/25/35/196992535.db2.gz FHNPWBRMICQDSH-LLVKDONJSA-N 1 1 322.365 1.380 20 5 DDBDMO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271646966 209093106 /nfs/dbraw/zinc/09/31/06/209093106.db2.gz TYLHWYRXVLBWPM-RYUDHWBXSA-N 1 1 309.366 1.787 20 5 DDBDMO C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC001120489018 781979597 /nfs/dbraw/zinc/97/95/97/781979597.db2.gz MEGIXRQYSVWZEM-QWHCGFSZSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN(C)C ZINC001120489018 781979604 /nfs/dbraw/zinc/97/96/04/781979604.db2.gz MEGIXRQYSVWZEM-QWHCGFSZSA-N 1 1 311.382 1.122 20 5 DDBDMO CO[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451565646 533409846 /nfs/dbraw/zinc/40/98/46/533409846.db2.gz LMYGYWPNHWHDKR-SWLSCSKDSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451565646 533409852 /nfs/dbraw/zinc/40/98/52/533409852.db2.gz LMYGYWPNHWHDKR-SWLSCSKDSA-N 1 1 321.377 1.914 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360993555 299788804 /nfs/dbraw/zinc/78/88/04/299788804.db2.gz CEEMJMYTMUQVEA-ZDUSSCGKSA-N 1 1 321.377 1.690 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000026342656 406903638 /nfs/dbraw/zinc/90/36/38/406903638.db2.gz UPLSZAHTRKBUEP-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C)C1 ZINC000026342656 406903641 /nfs/dbraw/zinc/90/36/41/406903641.db2.gz UPLSZAHTRKBUEP-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cccs2)CC1 ZINC000029843204 406927509 /nfs/dbraw/zinc/92/75/09/406927509.db2.gz DDYMXMZLLHCMNL-UHFFFAOYSA-N 1 1 307.379 1.712 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCOCC1 ZINC000086964344 407114013 /nfs/dbraw/zinc/11/40/13/407114013.db2.gz FYAFXSUWMLLCAP-UHFFFAOYSA-N 1 1 321.377 1.366 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191653 407322492 /nfs/dbraw/zinc/32/24/92/407322492.db2.gz LUXHWLWXCDWBQL-RISCZKNCSA-N 1 1 320.393 1.608 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000067292760 407270742 /nfs/dbraw/zinc/27/07/42/407270742.db2.gz UIIVEMZYTREJQV-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123947187 407343711 /nfs/dbraw/zinc/34/37/11/407343711.db2.gz VCVGDZGAPWNQLO-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(O)C1 ZINC000123947187 407343713 /nfs/dbraw/zinc/34/37/13/407343713.db2.gz VCVGDZGAPWNQLO-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cc(C[N@H+](C)CCn2cccn2)c([N+](=O)[O-])cc1OC ZINC000125281165 407384281 /nfs/dbraw/zinc/38/42/81/407384281.db2.gz FAKZERDVQCTHPN-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO COc1cc(C[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])cc1OC ZINC000125281165 407384283 /nfs/dbraw/zinc/38/42/83/407384283.db2.gz FAKZERDVQCTHPN-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1OC ZINC000271038720 407481022 /nfs/dbraw/zinc/48/10/22/407481022.db2.gz MJLVXMNXHDERHN-LLVKDONJSA-N 1 1 324.381 1.270 20 5 DDBDMO Cc1ccc(NCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)[nH+]c1 ZINC000127762771 407460301 /nfs/dbraw/zinc/46/03/01/407460301.db2.gz XZQZNZIPIWPGDM-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265921051 407512361 /nfs/dbraw/zinc/51/23/61/407512361.db2.gz BYPPPRQGLAQWHS-UHFFFAOYSA-N 1 1 311.338 1.294 20 5 DDBDMO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000171248589 407639925 /nfs/dbraw/zinc/63/99/25/407639925.db2.gz XGOVJWSVOQPHTO-CYBMUJFWSA-N 1 1 320.393 1.189 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000115716897 407703922 /nfs/dbraw/zinc/70/39/22/407703922.db2.gz ZVPFZAPJUWFYPQ-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000115716897 407703925 /nfs/dbraw/zinc/70/39/25/407703925.db2.gz ZVPFZAPJUWFYPQ-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152995815 407730626 /nfs/dbraw/zinc/73/06/26/407730626.db2.gz DWWHCTPMIMPWSH-WFASDCNBSA-N 1 1 321.377 1.793 20 5 DDBDMO CCCc1[nH]nc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000267123997 407758267 /nfs/dbraw/zinc/75/82/67/407758267.db2.gz BCJPGWLMJCGOGL-UHFFFAOYSA-N 1 1 318.337 1.984 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147760 407912866 /nfs/dbraw/zinc/91/28/66/407912866.db2.gz FKWCDIKLEIEZFC-YMTOWFKASA-N 1 1 307.325 1.946 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187298920 407843142 /nfs/dbraw/zinc/84/31/42/407843142.db2.gz LUKSVFFKQPLLRU-YBJDMEARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187298920 407843150 /nfs/dbraw/zinc/84/31/50/407843150.db2.gz LUKSVFFKQPLLRU-YBJDMEARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262878590 407961410 /nfs/dbraw/zinc/96/14/10/407961410.db2.gz VRYIFOJOOFWTRW-GZMMTYOYSA-N 1 1 303.322 1.199 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000245404340 407964188 /nfs/dbraw/zinc/96/41/88/407964188.db2.gz OWUCDDOSKZKTFU-GXTWGEPZSA-N 1 1 310.350 1.445 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000272451597 407926938 /nfs/dbraw/zinc/92/69/38/407926938.db2.gz NPPYYGUIWXXNMR-VXGBXAGGSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCC[C@@H]1O ZINC000272451903 407929115 /nfs/dbraw/zinc/92/91/15/407929115.db2.gz CHDQCEJBJNBSJL-JSGCOSHPSA-N 1 1 309.366 1.239 20 5 DDBDMO CNC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000175015159 408029060 /nfs/dbraw/zinc/02/90/60/408029060.db2.gz VELYJOKWIYQNDN-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO CC[C@]1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135583225 408034094 /nfs/dbraw/zinc/03/40/94/408034094.db2.gz PQJGGUFQXFTFKV-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135583225 408034098 /nfs/dbraw/zinc/03/40/98/408034098.db2.gz PQJGGUFQXFTFKV-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000135305432 408002532 /nfs/dbraw/zinc/00/25/32/408002532.db2.gz GPCLNAOTAWZSJO-HNNXBMFYSA-N 1 1 309.366 1.398 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000175329021 408107211 /nfs/dbraw/zinc/10/72/11/408107211.db2.gz VJLSKAAYZKPQLT-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000175329021 408107217 /nfs/dbraw/zinc/10/72/17/408107217.db2.gz VJLSKAAYZKPQLT-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000175329021 408107221 /nfs/dbraw/zinc/10/72/21/408107221.db2.gz VJLSKAAYZKPQLT-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488368 408326652 /nfs/dbraw/zinc/32/66/52/408326652.db2.gz YCYXKXZYWNMJAA-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000269488368 408326656 /nfs/dbraw/zinc/32/66/56/408326656.db2.gz YCYXKXZYWNMJAA-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000191123407 408373670 /nfs/dbraw/zinc/37/36/70/408373670.db2.gz AOLUPWVQPAQUKK-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000191123407 408373674 /nfs/dbraw/zinc/37/36/74/408373674.db2.gz AOLUPWVQPAQUKK-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000191339734 408411328 /nfs/dbraw/zinc/41/13/28/408411328.db2.gz TUIFELATIVGBAO-UHFFFAOYSA-N 1 1 322.365 1.353 20 5 DDBDMO C[C@@H]1c2cccn2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247559684 408493103 /nfs/dbraw/zinc/49/31/03/408493103.db2.gz QQTRBHWTYFGOKQ-DGCLKSJQSA-N 1 1 305.338 1.031 20 5 DDBDMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247559684 408493108 /nfs/dbraw/zinc/49/31/08/408493108.db2.gz QQTRBHWTYFGOKQ-DGCLKSJQSA-N 1 1 305.338 1.031 20 5 DDBDMO CN1CC[NH+](CCCn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000274727664 408512125 /nfs/dbraw/zinc/51/21/25/408512125.db2.gz HLVXKYSXJGWFGK-UHFFFAOYSA-N 1 1 314.773 1.047 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177128902 408527383 /nfs/dbraw/zinc/52/73/83/408527383.db2.gz KQFOATOKPVTRCR-YPMHNXCESA-N 1 1 303.362 1.879 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247458147 408472183 /nfs/dbraw/zinc/47/21/83/408472183.db2.gz QUFUXUDOBALSOL-AAEUAGOBSA-N 1 1 323.397 1.288 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177821789 408724437 /nfs/dbraw/zinc/72/44/37/408724437.db2.gz ZNNOLYGSQZDMJP-NEPJUHHUSA-N 1 1 321.381 1.336 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142189 408700443 /nfs/dbraw/zinc/70/04/43/408700443.db2.gz QZVOVBDFJQJIKV-PWSUYJOCSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142189 408700446 /nfs/dbraw/zinc/70/04/46/408700446.db2.gz QZVOVBDFJQJIKV-PWSUYJOCSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142189 408700450 /nfs/dbraw/zinc/70/04/50/408700450.db2.gz QZVOVBDFJQJIKV-PWSUYJOCSA-N 1 1 323.397 1.683 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1F ZINC000276288051 408829058 /nfs/dbraw/zinc/82/90/58/408829058.db2.gz HDFFUVQXHVMMOJ-CQSZACIVSA-N 1 1 323.368 1.888 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000276288051 408829059 /nfs/dbraw/zinc/82/90/59/408829059.db2.gz HDFFUVQXHVMMOJ-CQSZACIVSA-N 1 1 323.368 1.888 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000286390906 408975704 /nfs/dbraw/zinc/97/57/04/408975704.db2.gz MPMIPAMOZRLFRK-UHFFFAOYSA-N 1 1 320.353 1.518 20 5 DDBDMO Nc1c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000277610460 408976442 /nfs/dbraw/zinc/97/64/42/408976442.db2.gz VFTQPMXPGQPLQU-GFCCVEGCSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292280667 409015779 /nfs/dbraw/zinc/01/57/79/409015779.db2.gz BQVYNTCAFPWMCX-FZMZJTMJSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292280667 409015780 /nfs/dbraw/zinc/01/57/80/409015780.db2.gz BQVYNTCAFPWMCX-FZMZJTMJSA-N 1 1 319.361 1.329 20 5 DDBDMO Cc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701791 409040015 /nfs/dbraw/zinc/04/00/15/409040015.db2.gz SBOMCNDSZACXGE-HUUCEWRRSA-N 1 1 309.341 1.952 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000287723351 409082613 /nfs/dbraw/zinc/08/26/13/409082613.db2.gz FKUQSNPAWRNZQE-UWVGGRQHSA-N 1 1 320.349 1.814 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280301331 409288053 /nfs/dbraw/zinc/28/80/53/409288053.db2.gz FTKIORFUJPQEIM-WQVCFCJDSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280301331 409288056 /nfs/dbraw/zinc/28/80/56/409288056.db2.gz FTKIORFUJPQEIM-WQVCFCJDSA-N 1 1 322.361 1.508 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)CO ZINC000295173069 409357164 /nfs/dbraw/zinc/35/71/64/409357164.db2.gz GXTHPNJLHZGKKC-UHFFFAOYSA-N 1 1 321.377 1.434 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)CO ZINC000295173069 409357170 /nfs/dbraw/zinc/35/71/70/409357170.db2.gz GXTHPNJLHZGKKC-UHFFFAOYSA-N 1 1 321.377 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CCN(C)C)c1 ZINC000290368076 409376975 /nfs/dbraw/zinc/37/69/75/409376975.db2.gz ATWLTIYXFVBPIR-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000290368076 409376985 /nfs/dbraw/zinc/37/69/85/409376985.db2.gz ATWLTIYXFVBPIR-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295240931 409394515 /nfs/dbraw/zinc/39/45/15/409394515.db2.gz PCNFOQOTHCRVEJ-GFCCVEGCSA-N 1 1 301.343 1.738 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000285474121 409458523 /nfs/dbraw/zinc/45/85/23/409458523.db2.gz VGYVMWAZPLKGKC-TXEJJXNPSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000285474121 409458526 /nfs/dbraw/zinc/45/85/26/409458526.db2.gz VGYVMWAZPLKGKC-TXEJJXNPSA-N 1 1 323.349 1.651 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000285185034 409401814 /nfs/dbraw/zinc/40/18/14/409401814.db2.gz VTMUTEZGXZWDFE-STQMWFEESA-N 1 1 321.377 1.694 20 5 DDBDMO CS[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296120951 409437620 /nfs/dbraw/zinc/43/76/20/409437620.db2.gz FNKLHGLBFALPDJ-ZDUSSCGKSA-N 1 1 309.391 1.995 20 5 DDBDMO CS[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296120951 409437624 /nfs/dbraw/zinc/43/76/24/409437624.db2.gz FNKLHGLBFALPDJ-ZDUSSCGKSA-N 1 1 309.391 1.995 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000317844505 164028479 /nfs/dbraw/zinc/02/84/79/164028479.db2.gz YAJXIMXGAIDACF-QWRGUYRKSA-N 1 1 309.370 1.166 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000361425499 164153999 /nfs/dbraw/zinc/15/39/99/164153999.db2.gz GZIRJMMRLSRWJD-ZDUSSCGKSA-N 1 1 307.350 1.403 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000361425499 164154001 /nfs/dbraw/zinc/15/40/01/164154001.db2.gz GZIRJMMRLSRWJD-ZDUSSCGKSA-N 1 1 307.350 1.403 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285592930 409503023 /nfs/dbraw/zinc/50/30/23/409503023.db2.gz CALDFNMWFSPXNF-WDEREUQCSA-N 1 1 311.363 1.201 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881925 409685726 /nfs/dbraw/zinc/68/57/26/409685726.db2.gz PEFAAVVSPYXNIO-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881925 409685728 /nfs/dbraw/zinc/68/57/28/409685728.db2.gz PEFAAVVSPYXNIO-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881925 409685735 /nfs/dbraw/zinc/68/57/35/409685735.db2.gz PEFAAVVSPYXNIO-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356881925 409685739 /nfs/dbraw/zinc/68/57/39/409685739.db2.gz PEFAAVVSPYXNIO-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356883937 409687546 /nfs/dbraw/zinc/68/75/46/409687546.db2.gz QOZPOKXFFUTXNZ-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356883937 409687556 /nfs/dbraw/zinc/68/75/56/409687556.db2.gz QOZPOKXFFUTXNZ-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000357281964 409955180 /nfs/dbraw/zinc/95/51/80/409955180.db2.gz INUCRGSWYZMBDB-UHFFFAOYSA-N 1 1 305.338 1.648 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000332215348 409983188 /nfs/dbraw/zinc/98/31/88/409983188.db2.gz IEPYOVBVQGYVHY-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000324475720 409927544 /nfs/dbraw/zinc/92/75/44/409927544.db2.gz FFXSXINBBXHEFF-JTQLQIEISA-N 1 1 324.356 1.776 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342835808 409937812 /nfs/dbraw/zinc/93/78/12/409937812.db2.gz QOPXAQBAOVVKHY-JQWIXIFHSA-N 1 1 322.365 1.979 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](C)CC1 ZINC000298108070 410118461 /nfs/dbraw/zinc/11/84/61/410118461.db2.gz OQFBTTACRHFJEL-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(C)CC1 ZINC000298108070 410118467 /nfs/dbraw/zinc/11/84/67/410118467.db2.gz OQFBTTACRHFJEL-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(C)CC1 ZINC000298108070 410118470 /nfs/dbraw/zinc/11/84/70/410118470.db2.gz OQFBTTACRHFJEL-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299208602 410568056 /nfs/dbraw/zinc/56/80/56/410568056.db2.gz ASLHVPPNPNNHBI-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000352224156 410563002 /nfs/dbraw/zinc/56/30/02/410563002.db2.gz ZGONITMWYMWADH-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299227 410698020 /nfs/dbraw/zinc/69/80/20/410698020.db2.gz MGDUOFBPHNPWIR-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299227 410698025 /nfs/dbraw/zinc/69/80/25/410698025.db2.gz MGDUOFBPHNPWIR-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299227 410698030 /nfs/dbraw/zinc/69/80/30/410698030.db2.gz MGDUOFBPHNPWIR-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(CC[N@H+](CCO)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000337340848 410721948 /nfs/dbraw/zinc/72/19/48/410721948.db2.gz UDIXZJXDHDSTOE-UHFFFAOYSA-N 1 1 307.350 1.628 20 5 DDBDMO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302401065 410842751 /nfs/dbraw/zinc/84/27/51/410842751.db2.gz JXXBVDFFEWCDHN-VIFPVBQESA-N 1 1 300.746 1.146 20 5 DDBDMO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302401065 410842754 /nfs/dbraw/zinc/84/27/54/410842754.db2.gz JXXBVDFFEWCDHN-VIFPVBQESA-N 1 1 300.746 1.146 20 5 DDBDMO CC[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331161653 410989024 /nfs/dbraw/zinc/98/90/24/410989024.db2.gz XDARLWRMPMEQQT-UHFFFAOYSA-N 1 1 313.304 1.580 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000331209012 411021108 /nfs/dbraw/zinc/02/11/08/411021108.db2.gz QBQFQONQAIEBOI-NSHDSACASA-N 1 1 309.370 1.415 20 5 DDBDMO Cc1c(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000360529599 418457043 /nfs/dbraw/zinc/45/70/43/418457043.db2.gz RJWHICUKICXYSA-CYBMUJFWSA-N 1 1 323.418 1.957 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000366761189 418513954 /nfs/dbraw/zinc/51/39/54/418513954.db2.gz RIFXXBQQBDPOCS-NSHDSACASA-N 1 1 300.322 1.566 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000366761189 418513956 /nfs/dbraw/zinc/51/39/56/418513956.db2.gz RIFXXBQQBDPOCS-NSHDSACASA-N 1 1 300.322 1.566 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374387553 418525977 /nfs/dbraw/zinc/52/59/77/418525977.db2.gz BMJJYZXWCHCHJB-OFQRWUPVSA-N 1 1 306.362 1.987 20 5 DDBDMO COc1cccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000194462085 418543917 /nfs/dbraw/zinc/54/39/17/418543917.db2.gz GTLDMZAERZSTKV-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000291044086 222093765 /nfs/dbraw/zinc/09/37/65/222093765.db2.gz WWLUOOFPPSIGFJ-LLVKDONJSA-N 1 1 311.386 1.336 20 5 DDBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1CCOC ZINC000192517569 222129895 /nfs/dbraw/zinc/12/98/95/222129895.db2.gz QTVJZQOVWAHUQW-LLVKDONJSA-N 1 1 314.411 1.988 20 5 DDBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1CCOC ZINC000192517569 222129897 /nfs/dbraw/zinc/12/98/97/222129897.db2.gz QTVJZQOVWAHUQW-LLVKDONJSA-N 1 1 314.411 1.988 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000361125880 418587917 /nfs/dbraw/zinc/58/79/17/418587917.db2.gz UMGIWETTYCSOGX-NSHDSACASA-N 1 1 304.350 1.487 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420923 418649947 /nfs/dbraw/zinc/64/99/47/418649947.db2.gz QECWKSOVMSGMPZ-CQSZACIVSA-N 1 1 310.350 1.827 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1C ZINC000342362619 418627928 /nfs/dbraw/zinc/62/79/28/418627928.db2.gz QRSDBNNVDMDYND-ZJUUUORDSA-N 1 1 317.349 2.138 20 5 DDBDMO CO[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000361361759 418634178 /nfs/dbraw/zinc/63/41/78/418634178.db2.gz LEOWYXGZNRKKCI-LBPRGKRZSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000361361759 418634179 /nfs/dbraw/zinc/63/41/79/418634179.db2.gz LEOWYXGZNRKKCI-LBPRGKRZSA-N 1 1 304.306 1.866 20 5 DDBDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361585429 418686542 /nfs/dbraw/zinc/68/65/42/418686542.db2.gz IIPOHVDRKVSNAG-WCQYABFASA-N 1 1 310.350 1.575 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000361744171 418704581 /nfs/dbraw/zinc/70/45/81/418704581.db2.gz MGWVXCOUINEDQL-SNVBAGLBSA-N 1 1 313.379 1.409 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408471312 418805097 /nfs/dbraw/zinc/80/50/97/418805097.db2.gz WVOLWAAHWZLQNW-VHSXEESVSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408471312 418805098 /nfs/dbraw/zinc/80/50/98/418805098.db2.gz WVOLWAAHWZLQNW-VHSXEESVSA-N 1 1 307.354 1.217 20 5 DDBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000420994804 419432098 /nfs/dbraw/zinc/43/20/98/419432098.db2.gz CQVSQESLCBRAPC-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411909233 419469622 /nfs/dbraw/zinc/46/96/22/419469622.db2.gz JOLQLCPTIVIZOM-SWHYSGLUSA-N 1 1 323.349 1.003 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000411909233 419469632 /nfs/dbraw/zinc/46/96/32/419469632.db2.gz JOLQLCPTIVIZOM-SWHYSGLUSA-N 1 1 323.349 1.003 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000412039624 419583789 /nfs/dbraw/zinc/58/37/89/419583789.db2.gz QCBAGQNWARKFBT-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000412039624 419583795 /nfs/dbraw/zinc/58/37/95/419583795.db2.gz QCBAGQNWARKFBT-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000298650412 228678017 /nfs/dbraw/zinc/67/80/17/228678017.db2.gz YBKBZFDMGJWLAV-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CO)C1 ZINC000298650412 228678020 /nfs/dbraw/zinc/67/80/20/228678020.db2.gz YBKBZFDMGJWLAV-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1 ZINC000427393467 419653827 /nfs/dbraw/zinc/65/38/27/419653827.db2.gz ZZDSLKBDXISRBV-WDEREUQCSA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1 ZINC000427393467 419653837 /nfs/dbraw/zinc/65/38/37/419653837.db2.gz ZZDSLKBDXISRBV-WDEREUQCSA-N 1 1 309.370 1.366 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000427790020 419734610 /nfs/dbraw/zinc/73/46/10/419734610.db2.gz QSOVUCCYUIXNAY-PHIMTYICSA-N 1 1 304.350 1.270 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000428441567 419866952 /nfs/dbraw/zinc/86/69/52/419866952.db2.gz WQAASDVLUJKEDT-OAHLLOKOSA-N 1 1 310.350 1.959 20 5 DDBDMO Cc1nn(C)c(NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000432863583 229134022 /nfs/dbraw/zinc/13/40/22/229134022.db2.gz BAQRXEHSQNWHQZ-NSHDSACASA-N 1 1 311.386 1.550 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578654 229226930 /nfs/dbraw/zinc/22/69/30/229226930.db2.gz XEDPTULILQQYAX-OUAUKWLOSA-N 1 1 323.397 1.723 20 5 DDBDMO CSC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295843 419998368 /nfs/dbraw/zinc/99/83/68/419998368.db2.gz BGXDXQPPLUGMSP-YPMHNXCESA-N 1 1 314.411 1.227 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000430236367 420094018 /nfs/dbraw/zinc/09/40/18/420094018.db2.gz HDVAOFPZJAVJRA-LLVKDONJSA-N 1 1 307.350 1.691 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000430232246 420094772 /nfs/dbraw/zinc/09/47/72/420094772.db2.gz LPYSAKJUQBCELL-ZDUSSCGKSA-N 1 1 323.393 1.756 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000430232246 420094776 /nfs/dbraw/zinc/09/47/76/420094776.db2.gz LPYSAKJUQBCELL-ZDUSSCGKSA-N 1 1 323.393 1.756 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415485291 420086002 /nfs/dbraw/zinc/08/60/02/420086002.db2.gz PJDCVYDJPCTSFD-UHFFFAOYSA-N 1 1 302.281 1.927 20 5 DDBDMO CC1(C)C[C@@H](NC[C@H]2C[NH2+]CCO2)c2cc([N+](=O)[O-])ccc21 ZINC000423580173 420086901 /nfs/dbraw/zinc/08/69/01/420086901.db2.gz XHTIRRHKOZJKPL-IUODEOHRSA-N 1 1 305.378 1.895 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000430207016 420089828 /nfs/dbraw/zinc/08/98/28/420089828.db2.gz YGKQBPSLLGBAAU-UHFFFAOYSA-N 1 1 316.317 1.657 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000430207016 420089831 /nfs/dbraw/zinc/08/98/31/420089831.db2.gz YGKQBPSLLGBAAU-UHFFFAOYSA-N 1 1 316.317 1.657 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000433847086 420255079 /nfs/dbraw/zinc/25/50/79/420255079.db2.gz CMMMJRVOHNNBAT-MNOVXSKESA-N 1 1 321.381 1.798 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])C2)C1 ZINC000420644193 420340206 /nfs/dbraw/zinc/34/02/06/420340206.db2.gz WPTKCXMHFVYUJP-HNNXBMFYSA-N 1 1 304.350 1.226 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000420824936 420404527 /nfs/dbraw/zinc/40/45/27/420404527.db2.gz YDDUSOHYZVWGMI-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000302487353 230264590 /nfs/dbraw/zinc/26/45/90/230264590.db2.gz IVJGABCLFKNWML-LBPRGKRZSA-N 1 1 308.382 1.580 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444270534 420756091 /nfs/dbraw/zinc/75/60/91/420756091.db2.gz RJTVFAQAWGNVMA-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(NCC[N@H+]3CCCOCC3)c21 ZINC000445659498 420761205 /nfs/dbraw/zinc/76/12/05/420761205.db2.gz GBHSCYPKNHMPOQ-UHFFFAOYSA-N 1 1 317.349 1.672 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000454324373 420838185 /nfs/dbraw/zinc/83/81/85/420838185.db2.gz OHJGRELNBSZCOL-TXEJJXNPSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000454324373 420838189 /nfs/dbraw/zinc/83/81/89/420838189.db2.gz OHJGRELNBSZCOL-TXEJJXNPSA-N 1 1 322.365 1.514 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449522428 421022216 /nfs/dbraw/zinc/02/22/16/421022216.db2.gz KTPROPGWHCEDRA-HLIIYUEKSA-N 1 1 315.329 1.203 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455480938 421022406 /nfs/dbraw/zinc/02/24/06/421022406.db2.gz QNMQDQJNUZWJNU-JTQLQIEISA-N 1 1 307.354 1.246 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721176 421108499 /nfs/dbraw/zinc/10/84/99/421108499.db2.gz RNJVJSBHPMSJNV-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000490069521 421187773 /nfs/dbraw/zinc/18/77/73/421187773.db2.gz VBXFTKZJVPIDLB-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1C[NH+]2CCN1CC2 ZINC000450391833 421191992 /nfs/dbraw/zinc/19/19/92/421191992.db2.gz NNLXNROHKPFATH-LBPRGKRZSA-N 1 1 313.361 1.555 20 5 DDBDMO COc1cccc(NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450588330 421213213 /nfs/dbraw/zinc/21/32/13/421213213.db2.gz AXMIUHQNTLXGLY-LBPRGKRZSA-N 1 1 309.366 1.862 20 5 DDBDMO COc1ccc(CC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000524444346 421260830 /nfs/dbraw/zinc/26/08/30/421260830.db2.gz GSVSSSNCXHGSNO-UHFFFAOYSA-N 1 1 307.350 1.310 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000562705930 421403019 /nfs/dbraw/zinc/40/30/19/421403019.db2.gz CVANVLJFIBJGNR-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccco1 ZINC000548384209 421431309 /nfs/dbraw/zinc/43/13/09/421431309.db2.gz DGKODOJHLINPGH-JTQLQIEISA-N 1 1 319.321 1.198 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000548411965 421435511 /nfs/dbraw/zinc/43/55/11/421435511.db2.gz QTVXWBOVPKFNIK-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccccc1 ZINC000548407895 421435937 /nfs/dbraw/zinc/43/59/37/421435937.db2.gz XOHRKMGTUPNGKR-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038775 421526574 /nfs/dbraw/zinc/52/65/74/421526574.db2.gz DDKKBKYNUHRGHA-CYBMUJFWSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038775 421526576 /nfs/dbraw/zinc/52/65/76/421526576.db2.gz DDKKBKYNUHRGHA-CYBMUJFWSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038775 421526578 /nfs/dbraw/zinc/52/65/78/421526578.db2.gz DDKKBKYNUHRGHA-CYBMUJFWSA-N 1 1 323.393 1.361 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOCC3CCC3)CC2)cn1 ZINC000563616836 421527933 /nfs/dbraw/zinc/52/79/33/421527933.db2.gz ZFWWOILPYKYYMR-UHFFFAOYSA-N 1 1 320.393 1.929 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]2)CC1 ZINC000563886388 421552444 /nfs/dbraw/zinc/55/24/44/421552444.db2.gz VUNWPUICHYLXSE-UHFFFAOYSA-N 1 1 315.333 1.439 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000532639713 421662379 /nfs/dbraw/zinc/66/23/79/421662379.db2.gz WUZFQEIABUDDDR-UHFFFAOYSA-N 1 1 305.338 1.601 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000558984008 421828314 /nfs/dbraw/zinc/82/83/14/421828314.db2.gz IYARFIJJSWVZKB-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@H]2CC)c1[N+](=O)[O-] ZINC000558984008 421828315 /nfs/dbraw/zinc/82/83/15/421828315.db2.gz IYARFIJJSWVZKB-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000572313320 421776570 /nfs/dbraw/zinc/77/65/70/421776570.db2.gz KYOSWOWNWSYEAH-OAHLLOKOSA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000557556170 421777889 /nfs/dbraw/zinc/77/78/89/421777889.db2.gz VJOSZJDOWVELRN-ZDUSSCGKSA-N 1 1 314.345 1.979 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000572782226 421863127 /nfs/dbraw/zinc/86/31/27/421863127.db2.gz OPCHBIRWYNKCJL-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000573697416 422003548 /nfs/dbraw/zinc/00/35/48/422003548.db2.gz SWTQUTIBHGJOJS-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000574857979 422195044 /nfs/dbraw/zinc/19/50/44/422195044.db2.gz OSHACRCQLAQGLC-GHMZBOCLSA-N 1 1 312.345 1.410 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@@H](C)O ZINC000574857979 422195049 /nfs/dbraw/zinc/19/50/49/422195049.db2.gz OSHACRCQLAQGLC-GHMZBOCLSA-N 1 1 312.345 1.410 20 5 DDBDMO C[C@H]1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1C1CC1 ZINC000584383766 422299353 /nfs/dbraw/zinc/29/93/53/422299353.db2.gz PEOQRFYKDGKYIK-VHSXEESVSA-N 1 1 302.338 1.675 20 5 DDBDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000586802184 422313849 /nfs/dbraw/zinc/31/38/49/422313849.db2.gz OFIDMYLTYQQOAH-GFCCVEGCSA-N 1 1 303.322 1.894 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000586802184 422313853 /nfs/dbraw/zinc/31/38/53/422313853.db2.gz OFIDMYLTYQQOAH-GFCCVEGCSA-N 1 1 303.322 1.894 20 5 DDBDMO CC(=O)c1cc(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000341852192 271222356 /nfs/dbraw/zinc/22/23/56/271222356.db2.gz JJDHXWMYPXPRMY-UHFFFAOYSA-N 1 1 307.350 1.302 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345995704 272385432 /nfs/dbraw/zinc/38/54/32/272385432.db2.gz UKJCQTJZEKFKLP-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO CCOc1cccc(N2CC[NH+](CCOC)CC2)c1[N+](=O)[O-] ZINC000184042867 273708989 /nfs/dbraw/zinc/70/89/89/273708989.db2.gz KUICKNQGHITSIB-UHFFFAOYSA-N 1 1 309.366 1.762 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000323802949 274004362 /nfs/dbraw/zinc/00/43/62/274004362.db2.gz GZXBTGRBYMLOCY-MRXNPFEDSA-N 1 1 319.361 1.913 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000133539949 276300537 /nfs/dbraw/zinc/30/05/37/276300537.db2.gz SSNYPNOZDMKVQM-UHFFFAOYSA-N 1 1 320.349 1.451 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338785910 276300775 /nfs/dbraw/zinc/30/07/75/276300775.db2.gz BVKBJFLJVQFFMA-QWRGUYRKSA-N 1 1 322.365 1.695 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H]1Cc1ccccc1 ZINC000286374312 277115126 /nfs/dbraw/zinc/11/51/26/277115126.db2.gz DGSYFXIGSBEANE-AWEZNQCLSA-N 1 1 313.361 1.748 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000332394030 277153398 /nfs/dbraw/zinc/15/33/98/277153398.db2.gz WGXIXJWZDAEUKU-HOTGVXAUSA-N 1 1 305.378 1.542 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408067308 278001005 /nfs/dbraw/zinc/00/10/05/278001005.db2.gz BNZRVIHDUNNBKK-ZJUUUORDSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408067308 278001006 /nfs/dbraw/zinc/00/10/06/278001006.db2.gz BNZRVIHDUNNBKK-ZJUUUORDSA-N 1 1 309.370 1.606 20 5 DDBDMO CC[N@@H+](C)CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525900 279033244 /nfs/dbraw/zinc/03/32/44/279033244.db2.gz LXQJSOKPHORXSM-OAHLLOKOSA-N 1 1 317.393 1.959 20 5 DDBDMO C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000332238809 279104204 /nfs/dbraw/zinc/10/42/04/279104204.db2.gz UEXCPKNCNOOZAN-NEPJUHHUSA-N 1 1 321.377 1.986 20 5 DDBDMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362588270 300103011 /nfs/dbraw/zinc/10/30/11/300103011.db2.gz KHXCRGXFWCFQNU-ZYHUDNBSSA-N 1 1 307.350 1.417 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363052875 300204492 /nfs/dbraw/zinc/20/44/92/300204492.db2.gz BFFUIIZGLKHCMK-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363052875 300204495 /nfs/dbraw/zinc/20/44/95/300204495.db2.gz BFFUIIZGLKHCMK-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363052875 300204497 /nfs/dbraw/zinc/20/44/97/300204497.db2.gz BFFUIIZGLKHCMK-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904172 300323796 /nfs/dbraw/zinc/32/37/96/300323796.db2.gz LBUQBWLFSCICAU-ZWNOBZJWSA-N 1 1 319.365 1.128 20 5 DDBDMO CCn1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364328013 300377347 /nfs/dbraw/zinc/37/73/47/300377347.db2.gz LKJRSKVGBCUHFG-CYBMUJFWSA-N 1 1 304.354 1.845 20 5 DDBDMO CCn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364328013 300377350 /nfs/dbraw/zinc/37/73/50/300377350.db2.gz LKJRSKVGBCUHFG-CYBMUJFWSA-N 1 1 304.354 1.845 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364395946 300389771 /nfs/dbraw/zinc/38/97/71/300389771.db2.gz CEVOVUOLUANJJF-FPMFFAJLSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000364395946 300389774 /nfs/dbraw/zinc/38/97/74/300389774.db2.gz CEVOVUOLUANJJF-FPMFFAJLSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000364395946 300389778 /nfs/dbraw/zinc/38/97/78/300389778.db2.gz CEVOVUOLUANJJF-FPMFFAJLSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368804892 301090184 /nfs/dbraw/zinc/09/01/84/301090184.db2.gz JTJXZFHMJMFIFD-CHWSQXEVSA-N 1 1 309.391 1.494 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469403 301345674 /nfs/dbraw/zinc/34/56/74/301345674.db2.gz CUEOTLHVBXFTEC-UQOMUDLDSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469403 301345676 /nfs/dbraw/zinc/34/56/76/301345676.db2.gz CUEOTLHVBXFTEC-UQOMUDLDSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469403 301345678 /nfs/dbraw/zinc/34/56/78/301345678.db2.gz CUEOTLHVBXFTEC-UQOMUDLDSA-N 1 1 303.362 1.431 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c2nonc21 ZINC000377481552 302183617 /nfs/dbraw/zinc/18/36/17/302183617.db2.gz MDOSRLPCIJVLIT-SNVBAGLBSA-N 1 1 303.322 1.806 20 5 DDBDMO C[C@H]1C[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441816 303245402 /nfs/dbraw/zinc/24/54/02/303245402.db2.gz CWYXEIQKQVCLPK-WDMOLILDSA-N 1 1 317.345 1.815 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532142869 303276862 /nfs/dbraw/zinc/27/68/62/303276862.db2.gz FNNFUJCCBZUYPX-GFCCVEGCSA-N 1 1 306.366 1.794 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000532909337 303301672 /nfs/dbraw/zinc/30/16/72/303301672.db2.gz FJRGVMMFGFAROE-LLVKDONJSA-N 1 1 323.397 1.901 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1CO ZINC000362089712 307013774 /nfs/dbraw/zinc/01/37/74/307013774.db2.gz VLDCSMQGTXSQKD-CMPLNLGQSA-N 1 1 318.333 1.705 20 5 DDBDMO Cc1cnn(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000363567389 307031510 /nfs/dbraw/zinc/03/15/10/307031510.db2.gz ZGCYNRCFRGJFNV-UHFFFAOYSA-N 1 1 304.354 1.670 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371659985 307155577 /nfs/dbraw/zinc/15/55/77/307155577.db2.gz KIQXWXCHRLSYGX-REBRKWNGSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371659985 307155578 /nfs/dbraw/zinc/15/55/78/307155578.db2.gz KIQXWXCHRLSYGX-REBRKWNGSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371659985 307155579 /nfs/dbraw/zinc/15/55/79/307155579.db2.gz KIQXWXCHRLSYGX-REBRKWNGSA-N 1 1 318.377 1.073 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000371664640 307155703 /nfs/dbraw/zinc/15/57/03/307155703.db2.gz WJSVTCAFOVYNQP-STQMWFEESA-N 1 1 309.391 1.494 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000377824621 307276500 /nfs/dbraw/zinc/27/65/00/307276500.db2.gz UNSLJPGVCHRREJ-OWYFMNJBSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000377824621 307276501 /nfs/dbraw/zinc/27/65/01/307276501.db2.gz UNSLJPGVCHRREJ-OWYFMNJBSA-N 1 1 315.373 1.413 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000377824621 307276502 /nfs/dbraw/zinc/27/65/02/307276502.db2.gz UNSLJPGVCHRREJ-OWYFMNJBSA-N 1 1 315.373 1.413 20 5 DDBDMO CC(C)(NC(=O)CC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000577227959 308372778 /nfs/dbraw/zinc/37/27/78/308372778.db2.gz NSGBAAIUYUKOFJ-UHFFFAOYSA-N 1 1 301.293 1.930 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577437247 308387997 /nfs/dbraw/zinc/38/79/97/308387997.db2.gz NILBGSTYDIHPSV-CYBMUJFWSA-N 1 1 323.393 1.783 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncccn1 ZINC000584666083 337377833 /nfs/dbraw/zinc/37/78/33/337377833.db2.gz JGTXNGRNSOSIOI-NSHDSACASA-N 1 1 315.333 1.892 20 5 DDBDMO NC(=O)NC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544310 534382542 /nfs/dbraw/zinc/38/25/42/534382542.db2.gz DSGSLGLXDQQQQS-LBPRGKRZSA-N 1 1 320.349 1.359 20 5 DDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C)C1 ZINC000156543246 523850610 /nfs/dbraw/zinc/85/06/10/523850610.db2.gz WOPCRDPINVSIQE-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331973059 527833493 /nfs/dbraw/zinc/83/34/93/527833493.db2.gz LDGVTNTYGBTVCG-ZDUSSCGKSA-N 1 1 308.334 1.807 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331973059 527833495 /nfs/dbraw/zinc/83/34/95/527833495.db2.gz LDGVTNTYGBTVCG-ZDUSSCGKSA-N 1 1 308.334 1.807 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452113997 529063689 /nfs/dbraw/zinc/06/36/89/529063689.db2.gz JGHZCYWSYVLCPB-CYBMUJFWSA-N 1 1 308.382 1.171 20 5 DDBDMO CC(C)(C[NH+]1CCOCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000308664619 535079723 /nfs/dbraw/zinc/07/97/23/535079723.db2.gz QACHZXWTNWZBPE-UHFFFAOYSA-N 1 1 319.365 1.994 20 5 DDBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820665056 599589509 /nfs/dbraw/zinc/58/95/09/599589509.db2.gz DLEOMGJHWNNZIY-RKDXNWHRSA-N 1 1 318.341 1.065 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000798328743 700056694 /nfs/dbraw/zinc/05/66/94/700056694.db2.gz AENPKPSCVLJHFG-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000798328743 700056696 /nfs/dbraw/zinc/05/66/96/700056696.db2.gz AENPKPSCVLJHFG-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000798824933 700099700 /nfs/dbraw/zinc/09/97/00/700099700.db2.gz GPSQYFFFBYOIRY-AWEZNQCLSA-N 1 1 323.349 1.663 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000748355980 700113297 /nfs/dbraw/zinc/11/32/97/700113297.db2.gz UFOMKUIZJXZUQJ-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000748355980 700113299 /nfs/dbraw/zinc/11/32/99/700113299.db2.gz UFOMKUIZJXZUQJ-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816047 700136442 /nfs/dbraw/zinc/13/64/42/700136442.db2.gz CKOORCXASLVZPM-JVOXIWMLSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C(C)=C/C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816047 700136444 /nfs/dbraw/zinc/13/64/44/700136444.db2.gz CKOORCXASLVZPM-JVOXIWMLSA-N 1 1 320.349 1.595 20 5 DDBDMO CC1(C)CC(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000983658448 697287003 /nfs/dbraw/zinc/28/70/03/697287003.db2.gz WIPCMUIAESXHOQ-FMKGYKFTSA-N 1 1 309.410 1.572 20 5 DDBDMO CC(=O)N1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274410 698091066 /nfs/dbraw/zinc/09/10/66/698091066.db2.gz HLCLUBNEKIOESZ-OAHLLOKOSA-N 1 1 307.350 1.182 20 5 DDBDMO CC(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776274410 698091072 /nfs/dbraw/zinc/09/10/72/698091072.db2.gz HLCLUBNEKIOESZ-OAHLLOKOSA-N 1 1 307.350 1.182 20 5 DDBDMO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000778202611 698248949 /nfs/dbraw/zinc/24/89/49/698248949.db2.gz CZSPPAGYJMYGSF-NEPJUHHUSA-N 1 1 322.283 1.873 20 5 DDBDMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000778202611 698248950 /nfs/dbraw/zinc/24/89/50/698248950.db2.gz CZSPPAGYJMYGSF-NEPJUHHUSA-N 1 1 322.283 1.873 20 5 DDBDMO CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000781961621 698666447 /nfs/dbraw/zinc/66/64/47/698666447.db2.gz CREDUZISZOYTGM-OAHLLOKOSA-N 1 1 323.393 1.017 20 5 DDBDMO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000781961621 698666452 /nfs/dbraw/zinc/66/64/52/698666452.db2.gz CREDUZISZOYTGM-OAHLLOKOSA-N 1 1 323.393 1.017 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000781961621 698666454 /nfs/dbraw/zinc/66/64/54/698666454.db2.gz CREDUZISZOYTGM-OAHLLOKOSA-N 1 1 323.393 1.017 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000782401843 698721745 /nfs/dbraw/zinc/72/17/45/698721745.db2.gz PZUWXUAAUMCNQO-PHIMTYICSA-N 1 1 306.391 1.785 20 5 DDBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725827395 699335663 /nfs/dbraw/zinc/33/56/63/699335663.db2.gz SOECFYCHSPBRRT-VIFPVBQESA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725827395 699335665 /nfs/dbraw/zinc/33/56/65/699335665.db2.gz SOECFYCHSPBRRT-VIFPVBQESA-N 1 1 319.770 1.231 20 5 DDBDMO CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726584588 699369161 /nfs/dbraw/zinc/36/91/61/699369161.db2.gz GKJWSUFTVGYDLD-UHFFFAOYSA-N 1 1 318.333 1.805 20 5 DDBDMO CC[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726584588 699369164 /nfs/dbraw/zinc/36/91/64/699369164.db2.gz GKJWSUFTVGYDLD-UHFFFAOYSA-N 1 1 318.333 1.805 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@](C)(O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000794672390 699823188 /nfs/dbraw/zinc/82/31/88/699823188.db2.gz LXIGLNDTQPJGFQ-HNNXBMFYSA-N 1 1 319.365 1.842 20 5 DDBDMO COc1ccc(C(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000742242115 699869975 /nfs/dbraw/zinc/86/99/75/699869975.db2.gz YVJASPINEBNDMD-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[nH+]1 ZINC000743463255 699913667 /nfs/dbraw/zinc/91/36/67/699913667.db2.gz IDNGNZNKBQTKQP-UHFFFAOYSA-N 1 1 317.305 1.241 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761067597 700838232 /nfs/dbraw/zinc/83/82/32/700838232.db2.gz FYWYKDJWQKISFF-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000768843153 701208756 /nfs/dbraw/zinc/20/87/56/701208756.db2.gz RIAPOFMRZYXWAD-RKDXNWHRSA-N 1 1 319.408 1.417 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000770283717 701273524 /nfs/dbraw/zinc/27/35/24/701273524.db2.gz OEWAGJBLFFJIHR-UHFFFAOYSA-N 1 1 319.408 1.371 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CCCCO)CC1 ZINC000771917464 701336792 /nfs/dbraw/zinc/33/67/92/701336792.db2.gz NFDZHJZUJCXKFR-UHFFFAOYSA-N 1 1 314.773 1.538 20 5 DDBDMO COCCOCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000808238076 701510622 /nfs/dbraw/zinc/51/06/22/701510622.db2.gz QYWJFPIBDYLUKZ-UHFFFAOYSA-N 1 1 322.365 1.805 20 5 DDBDMO COCCOCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000808238076 701510623 /nfs/dbraw/zinc/51/06/23/701510623.db2.gz QYWJFPIBDYLUKZ-UHFFFAOYSA-N 1 1 322.365 1.805 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000839670014 701774590 /nfs/dbraw/zinc/77/45/90/701774590.db2.gz REVCMAGDSHXZLG-HIFRSBDPSA-N 1 1 321.377 1.617 20 5 DDBDMO CC[N@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960128 701878240 /nfs/dbraw/zinc/87/82/40/701878240.db2.gz OYMRSBOHBSLDSC-HNNXBMFYSA-N 1 1 305.334 1.974 20 5 DDBDMO CC[N@@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000839960128 701878247 /nfs/dbraw/zinc/87/82/47/701878247.db2.gz OYMRSBOHBSLDSC-HNNXBMFYSA-N 1 1 305.334 1.974 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840104484 701970651 /nfs/dbraw/zinc/97/06/51/701970651.db2.gz MXELWQHNTFIAFV-HNNXBMFYSA-N 1 1 319.365 1.964 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@@H]1C ZINC000840123108 701981919 /nfs/dbraw/zinc/98/19/19/701981919.db2.gz KRTSZPWPDZINSY-IINYFYTJSA-N 1 1 319.365 1.962 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000840223451 702034602 /nfs/dbraw/zinc/03/46/02/702034602.db2.gz JAIFDTPQFAWCRJ-LBPRGKRZSA-N 1 1 310.354 1.517 20 5 DDBDMO CC[N@@H+](C[C@H](C)OC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000812301455 702143929 /nfs/dbraw/zinc/14/39/29/702143929.db2.gz HPPGDNCYVGZVJG-JTQLQIEISA-N 1 1 307.354 1.962 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812338140 702161579 /nfs/dbraw/zinc/16/15/79/702161579.db2.gz LLYHQJDDKWLDGI-NEPJUHHUSA-N 1 1 304.350 1.322 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccnc(F)c3)CC2)n1 ZINC000831455379 706710011 /nfs/dbraw/zinc/71/00/11/706710011.db2.gz RQUXQDFUJGRWQD-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000844314200 703011276 /nfs/dbraw/zinc/01/12/76/703011276.db2.gz RYXZFKRJSDNEME-NSHDSACASA-N 1 1 307.350 1.517 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879577506 706725008 /nfs/dbraw/zinc/72/50/08/706725008.db2.gz JRKSOZRIZFNERO-VNQPRFMTSA-N 1 1 305.378 1.654 20 5 DDBDMO CC(C)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000879600433 706734036 /nfs/dbraw/zinc/73/40/36/706734036.db2.gz DSZVMHCACQMVPF-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO C[N@H+]1CC[C@@H](CCOC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000847827863 703473901 /nfs/dbraw/zinc/47/39/01/703473901.db2.gz YYYSGYPKYILLSW-NSHDSACASA-N 1 1 310.354 1.411 20 5 DDBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000818585450 703931279 /nfs/dbraw/zinc/93/12/79/703931279.db2.gz CQTHPRJXJTURED-VIFPVBQESA-N 1 1 319.695 1.927 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819719808 704164514 /nfs/dbraw/zinc/16/45/14/704164514.db2.gz HPVXAXNCPQCGBM-NWANDNLSSA-N 1 1 319.361 1.181 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843457 705198936 /nfs/dbraw/zinc/19/89/36/705198936.db2.gz NMZLDTOULMOHFI-GJZGRUSLSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825338286 705649255 /nfs/dbraw/zinc/64/92/55/705649255.db2.gz NXBXCIBCJIUHIL-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000826594011 705821085 /nfs/dbraw/zinc/82/10/85/705821085.db2.gz UEXVYINCDIRGNO-UHFFFAOYSA-N 1 1 311.386 1.336 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828505310 706191483 /nfs/dbraw/zinc/19/14/83/706191483.db2.gz MYOHPUFJPWLQFS-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000881846504 707391241 /nfs/dbraw/zinc/39/12/41/707391241.db2.gz LNGNWQKKNJUSIN-ZDUSSCGKSA-N 1 1 318.377 1.993 20 5 DDBDMO CCOC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000877999636 706261372 /nfs/dbraw/zinc/26/13/72/706261372.db2.gz DRPULSUYPZGJHA-UHFFFAOYSA-N 1 1 312.370 1.621 20 5 DDBDMO CCOC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000877999636 706261375 /nfs/dbraw/zinc/26/13/75/706261375.db2.gz DRPULSUYPZGJHA-UHFFFAOYSA-N 1 1 312.370 1.621 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2cccc([N+](=O)[O-])c2C(C)=O)CC1 ZINC000882031320 707473049 /nfs/dbraw/zinc/47/30/49/707473049.db2.gz CYCTVTMVHRZTLT-ZDUSSCGKSA-N 1 1 321.377 1.690 20 5 DDBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001594 706850192 /nfs/dbraw/zinc/85/01/92/706850192.db2.gz RCJQICRFJDBYKI-GHMZBOCLSA-N 1 1 322.287 1.427 20 5 DDBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000880094873 706877273 /nfs/dbraw/zinc/87/72/73/706877273.db2.gz MZSCYGMMOWYSQD-JHJVBQTASA-N 1 1 321.377 1.929 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000836948429 707553027 /nfs/dbraw/zinc/55/30/27/707553027.db2.gz RFZWPUMJJBDNNX-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000882961771 707875114 /nfs/dbraw/zinc/87/51/14/707875114.db2.gz XGWODFVGPYBEOF-LLVKDONJSA-N 1 1 304.350 1.986 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838912794 708002348 /nfs/dbraw/zinc/00/23/48/708002348.db2.gz PGEOMUOSCPVETQ-OKILXGFUSA-N 1 1 320.345 1.544 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000883539952 708023986 /nfs/dbraw/zinc/02/39/86/708023986.db2.gz ONCIZJKDBJECIP-AWEZNQCLSA-N 1 1 306.366 1.531 20 5 DDBDMO O=C1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])CCCCCCN1 ZINC000886305429 708739183 /nfs/dbraw/zinc/73/91/83/708739183.db2.gz HFNBVYICCMBHOS-UHFFFAOYSA-N 1 1 306.366 1.872 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403309 709037332 /nfs/dbraw/zinc/03/73/32/709037332.db2.gz SZEOWTDITPDZOM-SWLSCSKDSA-N 1 1 321.377 1.535 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403309 709037336 /nfs/dbraw/zinc/03/73/36/709037336.db2.gz SZEOWTDITPDZOM-SWLSCSKDSA-N 1 1 321.377 1.535 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@]2(C)C1 ZINC000887926309 709166213 /nfs/dbraw/zinc/16/62/13/709166213.db2.gz DGYZEWSDECUMAS-BMIGLBTASA-N 1 1 307.325 1.758 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887928109 709167838 /nfs/dbraw/zinc/16/78/38/709167838.db2.gz WKKBCOAZUWKYRQ-MEDUHNTESA-N 1 1 319.361 1.627 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000890078538 709738339 /nfs/dbraw/zinc/73/83/39/709738339.db2.gz GWXCNNXIXFJCKZ-UHFFFAOYSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095972 713161900 /nfs/dbraw/zinc/16/19/00/713161900.db2.gz ACVRCHDLJXGUKT-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095972 713161901 /nfs/dbraw/zinc/16/19/01/713161901.db2.gz ACVRCHDLJXGUKT-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095972 713161903 /nfs/dbraw/zinc/16/19/03/713161903.db2.gz ACVRCHDLJXGUKT-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418662 710434346 /nfs/dbraw/zinc/43/43/46/710434346.db2.gz RZWLIUXWTUALKB-JSGCOSHPSA-N 1 1 304.350 1.440 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435834 713194914 /nfs/dbraw/zinc/19/49/14/713194914.db2.gz DEAFQGRXNCMFBS-NWDGAFQWSA-N 1 1 306.366 1.240 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000928453739 713204070 /nfs/dbraw/zinc/20/40/70/713204070.db2.gz PVXJLFAKZKTQIB-MWLCHTKSSA-N 1 1 321.333 1.188 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640407 710835065 /nfs/dbraw/zinc/83/50/65/710835065.db2.gz YNQFIRYNLAILAR-TZMCWYRMSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640407 710835070 /nfs/dbraw/zinc/83/50/70/710835070.db2.gz YNQFIRYNLAILAR-TZMCWYRMSA-N 1 1 317.349 1.920 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902906044 710953602 /nfs/dbraw/zinc/95/36/02/710953602.db2.gz RKCDXWKPFIFWPG-AAEUAGOBSA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000902906044 710953605 /nfs/dbraw/zinc/95/36/05/710953605.db2.gz RKCDXWKPFIFWPG-AAEUAGOBSA-N 1 1 324.406 1.243 20 5 DDBDMO C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000903445298 711129024 /nfs/dbraw/zinc/12/90/24/711129024.db2.gz HYBSCTVDKBXXTI-FRRDWIJNSA-N 1 1 305.382 1.332 20 5 DDBDMO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000903445298 711129025 /nfs/dbraw/zinc/12/90/25/711129025.db2.gz HYBSCTVDKBXXTI-FRRDWIJNSA-N 1 1 305.382 1.332 20 5 DDBDMO COC[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000894620514 711219082 /nfs/dbraw/zinc/21/90/82/711219082.db2.gz UVWISHLNGFFGQC-JTQLQIEISA-N 1 1 308.256 1.711 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1CO ZINC000894886090 711309292 /nfs/dbraw/zinc/30/92/92/711309292.db2.gz ULVVCPUQDFQSPB-GFCCVEGCSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1CO ZINC000894886090 711309295 /nfs/dbraw/zinc/30/92/95/711309295.db2.gz ULVVCPUQDFQSPB-GFCCVEGCSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000913535211 713248343 /nfs/dbraw/zinc/24/83/43/713248343.db2.gz BUVPBRYHANBQQI-PHIMTYICSA-N 1 1 314.345 1.995 20 5 DDBDMO COc1cc(C[NH2+]C[C@H]2CC(C)=NO2)c([N+](=O)[O-])cc1OC ZINC000895310482 711480351 /nfs/dbraw/zinc/48/03/51/711480351.db2.gz IBDPOICAAMDLOJ-LLVKDONJSA-N 1 1 309.322 1.866 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000918395945 713541446 /nfs/dbraw/zinc/54/14/46/713541446.db2.gz VXPQYEYIZQAUCL-LLVKDONJSA-N 1 1 322.321 1.635 20 5 DDBDMO Cc1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)[nH+]1 ZINC000929171853 713561014 /nfs/dbraw/zinc/56/10/14/713561014.db2.gz QJRRDXOTWMVLKP-UHFFFAOYSA-N 1 1 316.365 1.652 20 5 DDBDMO Cn1ccc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000932136163 714268553 /nfs/dbraw/zinc/26/85/53/714268553.db2.gz OXPIYTLEJBWOGQ-LBPRGKRZSA-N 1 1 304.354 1.404 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000923264463 714289258 /nfs/dbraw/zinc/28/92/58/714289258.db2.gz QKCBZHTULDTZDI-QWHCGFSZSA-N 1 1 321.352 1.972 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000933222097 714540245 /nfs/dbraw/zinc/54/02/45/714540245.db2.gz YRJIEWIWHKNGDV-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000933222097 714540246 /nfs/dbraw/zinc/54/02/46/714540246.db2.gz YRJIEWIWHKNGDV-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933992662 714716877 /nfs/dbraw/zinc/71/68/77/714716877.db2.gz IRXOHSKRFRNMJU-UHFFFAOYSA-N 1 1 310.373 1.413 20 5 DDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934039738 714728686 /nfs/dbraw/zinc/72/86/86/714728686.db2.gz ATYULQSGKZTTQD-VXGBXAGGSA-N 1 1 307.306 1.630 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000925419990 714850584 /nfs/dbraw/zinc/85/05/84/714850584.db2.gz RZXWSFVEHBZHNA-LBPRGKRZSA-N 1 1 304.350 1.367 20 5 DDBDMO COc1cc(C)nc(N2CCc3[nH+]ccn3CC2)c1[N+](=O)[O-] ZINC001167181727 732809551 /nfs/dbraw/zinc/80/95/51/732809551.db2.gz FURAEQUJMMGYJU-UHFFFAOYSA-N 1 1 303.322 1.566 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCc3[nH+]ccn3CC2)c1 ZINC001167182607 732810129 /nfs/dbraw/zinc/81/01/29/732810129.db2.gz QHEPBTAQUOOJRW-UHFFFAOYSA-N 1 1 309.713 1.141 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3nn[nH]n3)CC2)c(F)c1 ZINC001197440104 747164995 /nfs/dbraw/zinc/16/49/95/747164995.db2.gz VYUGTONXQQQDIF-UHFFFAOYSA-N 1 1 320.328 1.702 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019490 762199961 /nfs/dbraw/zinc/19/99/61/762199961.db2.gz ISKAINDYZWOEGU-MELADBBJSA-N 1 1 322.409 1.801 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055298 762210139 /nfs/dbraw/zinc/21/01/39/762210139.db2.gz PBRHVCPJGUSICP-YNEHKIRRSA-N 1 1 300.355 1.086 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055298 762210145 /nfs/dbraw/zinc/21/01/45/762210145.db2.gz PBRHVCPJGUSICP-YNEHKIRRSA-N 1 1 300.355 1.086 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097203471 756970899 /nfs/dbraw/zinc/97/08/99/756970899.db2.gz LPVBEKKKFYVWQE-TXEJJXNPSA-N 1 1 321.381 1.391 20 5 DDBDMO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020138810 760613005 /nfs/dbraw/zinc/61/30/05/760613005.db2.gz BKXSLBWOTFKFFI-KLHDSHLOSA-N 1 1 317.389 1.651 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCCC1CC1 ZINC001132601002 769003397 /nfs/dbraw/zinc/00/33/97/769003397.db2.gz XWUZWJNJRIWJAK-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001173233654 777063523 /nfs/dbraw/zinc/06/35/23/777063523.db2.gz LOPBLJNHFZVCOA-WHOFXGATSA-N 1 1 303.362 1.594 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001177044220 778406475 /nfs/dbraw/zinc/40/64/75/778406475.db2.gz PYRMDUIGBRRLBD-IUODEOHRSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1nc(NC[C@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001120064186 781745095 /nfs/dbraw/zinc/74/50/95/781745095.db2.gz CQTAFMAIWZMSNU-GFCCVEGCSA-N 1 1 307.354 1.358 20 5 DDBDMO C[N@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC001266311999 836101277 /nfs/dbraw/zinc/10/12/77/836101277.db2.gz OSPPFUOJKWLORK-NHAGDIPZSA-N 1 1 319.361 1.035 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC001266311999 836101280 /nfs/dbraw/zinc/10/12/80/836101280.db2.gz OSPPFUOJKWLORK-NHAGDIPZSA-N 1 1 319.361 1.035 20 5 DDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157260243 863687680 /nfs/dbraw/zinc/68/76/80/863687680.db2.gz INIQPVVXJDNMCV-VHSXEESVSA-N 1 1 311.773 1.877 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265910 863695276 /nfs/dbraw/zinc/69/52/76/863695276.db2.gz LIBVLZJHMNBHNH-CMPLNLGQSA-N 1 1 320.349 1.307 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3nc(Cl)ncc3[N+](=O)[O-])C[C@H]2C1 ZINC001157688073 864044831 /nfs/dbraw/zinc/04/48/31/864044831.db2.gz FIQMUPCDVJMYFD-AOOOYVTPSA-N 1 1 311.773 1.816 20 5 DDBDMO CC[N@H+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C(C)(C)C1 ZINC001158561708 864729204 /nfs/dbraw/zinc/72/92/04/864729204.db2.gz MGZMVMDMUHKMTE-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160106925 865679222 /nfs/dbraw/zinc/67/92/22/865679222.db2.gz HEENLHRTNUQFQZ-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160106925 865679231 /nfs/dbraw/zinc/67/92/31/865679231.db2.gz HEENLHRTNUQFQZ-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160106925 865679239 /nfs/dbraw/zinc/67/92/39/865679239.db2.gz HEENLHRTNUQFQZ-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001319941420 866394100 /nfs/dbraw/zinc/39/41/00/866394100.db2.gz CFOQXEUBDQZACI-GFCCVEGCSA-N 1 1 305.334 1.611 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001319941420 866394110 /nfs/dbraw/zinc/39/41/10/866394110.db2.gz CFOQXEUBDQZACI-GFCCVEGCSA-N 1 1 305.334 1.611 20 5 DDBDMO Cn1c[nH+]cc1CCCn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001333282826 866589350 /nfs/dbraw/zinc/58/93/50/866589350.db2.gz BWTJVLZLKMWNDY-UHFFFAOYSA-N 1 1 307.266 1.031 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001333507090 866798194 /nfs/dbraw/zinc/79/81/94/866798194.db2.gz GCJXFOZELQTWHT-DOMZBBRYSA-N 1 1 321.352 1.829 20 5 DDBDMO COC(=O)c1cnc(N[C@@]2(C)CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162341843 867477280 /nfs/dbraw/zinc/47/72/80/867477280.db2.gz PGFAJDHGCMHYOP-AWEZNQCLSA-N 1 1 308.338 1.673 20 5 DDBDMO Cc1nc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001163117356 868115192 /nfs/dbraw/zinc/11/51/92/868115192.db2.gz FPAJHQGXCRAJMR-ZDUSSCGKSA-N 1 1 322.365 1.403 20 5 DDBDMO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553536 870043607 /nfs/dbraw/zinc/04/36/07/870043607.db2.gz XUEVENUQZRSYCN-RBSFLKMASA-N 1 1 307.394 1.947 20 5 DDBDMO Cn1ncc2c1CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001166762222 870230755 /nfs/dbraw/zinc/23/07/55/870230755.db2.gz IMNVMPUEXAJXSU-SNAWJCMRSA-N 1 1 314.349 1.776 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001339316051 870442102 /nfs/dbraw/zinc/44/21/02/870442102.db2.gz GECHUHDHBHXLHO-LEWSCRJBSA-N 1 1 319.361 1.673 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311322774 871694126 /nfs/dbraw/zinc/69/41/26/871694126.db2.gz LRFQIUIRUUCTRB-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311322774 871694131 /nfs/dbraw/zinc/69/41/31/871694131.db2.gz LRFQIUIRUUCTRB-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO C[NH+]1CCN(c2cc(Nc3ccccc3[N+](=O)[O-])ncn2)CC1 ZINC001206144985 872085600 /nfs/dbraw/zinc/08/56/00/872085600.db2.gz VQNQYRWNRBVNTO-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001318812830 872284895 /nfs/dbraw/zinc/28/48/95/872284895.db2.gz GKXFWXGWZHEBPG-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO CS[C@H]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451835 872635865 /nfs/dbraw/zinc/63/58/65/872635865.db2.gz QQCUGUIIBJOVSI-YPMHNXCESA-N 1 1 311.407 1.972 20 5 DDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095901 882831679 /nfs/dbraw/zinc/83/16/79/882831679.db2.gz MGDWHUKXWLAHRD-SECBINFHSA-O 1 1 307.330 1.717 20 5 DDBDMO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001350262738 875602408 /nfs/dbraw/zinc/60/24/08/875602408.db2.gz RYAGIUWPVSILIX-CQSZACIVSA-N 1 1 321.381 1.271 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227463221 883031701 /nfs/dbraw/zinc/03/17/01/883031701.db2.gz ONHPYUGMIXMPTP-PXWWUCIGSA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227463221 883031721 /nfs/dbraw/zinc/03/17/21/883031721.db2.gz ONHPYUGMIXMPTP-PXWWUCIGSA-N 1 1 321.289 1.686 20 5 DDBDMO O=[N+]([O-])c1c[n+]([O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001229454840 883992671 /nfs/dbraw/zinc/99/26/71/883992671.db2.gz RGEWWXDICQYJOG-AWEZNQCLSA-N 1 1 315.329 1.882 20 5 DDBDMO Cc1nc(O[C@H](C)C[N+](C)(C)C)c(Br)c(=O)[nH]1 ZINC001234569790 888107706 /nfs/dbraw/zinc/10/77/06/888107706.db2.gz UIEILYWHIGBLEP-SSDOTTSWSA-O 1 1 305.196 1.727 20 5 DDBDMO CCOCCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235583595 888770644 /nfs/dbraw/zinc/77/06/44/888770644.db2.gz MOKHWSWRQRTJMR-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCN(C)CC1 ZINC001254558337 896502754 /nfs/dbraw/zinc/50/27/54/896502754.db2.gz FSMRHXREEQUEGL-OAHLLOKOSA-N 1 1 320.437 1.705 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCN(C)CC1 ZINC001254558337 896502762 /nfs/dbraw/zinc/50/27/62/896502762.db2.gz FSMRHXREEQUEGL-OAHLLOKOSA-N 1 1 320.437 1.705 20 5 DDBDMO [NH3+]CCCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254579037 896511713 /nfs/dbraw/zinc/51/17/13/896511713.db2.gz PCPUHXQBRAAPOE-INIZCTEOSA-N 1 1 304.394 1.028 20 5 DDBDMO CC(=O)N1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254606852 896528293 /nfs/dbraw/zinc/52/82/93/896528293.db2.gz IQWMVIYCBAQFNT-BZNIZROVSA-N 1 1 303.362 1.615 20 5 DDBDMO CC(=O)N1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254606852 896528301 /nfs/dbraw/zinc/52/83/01/896528301.db2.gz IQWMVIYCBAQFNT-BZNIZROVSA-N 1 1 303.362 1.615 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001262653563 900287150 /nfs/dbraw/zinc/28/71/50/900287150.db2.gz KOHXNOQTNKMFDQ-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001263074195 900482481 /nfs/dbraw/zinc/48/24/81/900482481.db2.gz ZQSAPGJGYPWFFI-MJBXVCDLSA-N 1 1 318.377 1.734 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001264948392 901357283 /nfs/dbraw/zinc/35/72/83/901357283.db2.gz IPGSUDBXLLJFAG-UHFFFAOYSA-N 1 1 318.289 1.282 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181239158 199270253 /nfs/dbraw/zinc/27/02/53/199270253.db2.gz CBGFFNIXSVFETC-UHFFFAOYSA-N 1 1 317.349 1.844 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000278779449 214396608 /nfs/dbraw/zinc/39/66/08/214396608.db2.gz DBNAGSRALJTOQX-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000452078489 231292442 /nfs/dbraw/zinc/29/24/42/231292442.db2.gz DPBIPMVMPCERNM-CYBMUJFWSA-N 1 1 309.366 1.505 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000452173047 231324857 /nfs/dbraw/zinc/32/48/57/231324857.db2.gz LVZPTVKMRNOAJE-LLVKDONJSA-N 1 1 321.381 1.368 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000301981077 529933020 /nfs/dbraw/zinc/93/30/20/529933020.db2.gz IOXWGGWJCMXXIW-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330850689 232112560 /nfs/dbraw/zinc/11/25/60/232112560.db2.gz PQGRTNZXEBMZMW-SNVBAGLBSA-N 1 1 311.769 1.953 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330850689 232112564 /nfs/dbraw/zinc/11/25/64/232112564.db2.gz PQGRTNZXEBMZMW-SNVBAGLBSA-N 1 1 311.769 1.953 20 5 DDBDMO C[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615990692 362512238 /nfs/dbraw/zinc/51/22/38/362512238.db2.gz VSRQYDCMPWPBIT-UHFFFAOYSA-N 1 1 320.393 1.179 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621868 210024089 /nfs/dbraw/zinc/02/40/89/210024089.db2.gz UVHHPDIMZDTJPU-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279953843 215265962 /nfs/dbraw/zinc/26/59/62/215265962.db2.gz YZUAVVRZDDGWPZ-GFCCVEGCSA-N 1 1 319.361 1.188 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279953843 215265965 /nfs/dbraw/zinc/26/59/65/215265965.db2.gz YZUAVVRZDDGWPZ-GFCCVEGCSA-N 1 1 319.361 1.188 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000047268314 352488682 /nfs/dbraw/zinc/48/86/82/352488682.db2.gz JNTCTNCQJGDGEI-GJZGRUSLSA-N 1 1 303.362 1.432 20 5 DDBDMO COCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000052940107 352633505 /nfs/dbraw/zinc/63/35/05/352633505.db2.gz IZAREWHAWBXELK-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO COCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000052940107 352633510 /nfs/dbraw/zinc/63/35/10/352633510.db2.gz IZAREWHAWBXELK-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[NH+](CC)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067952578 353076721 /nfs/dbraw/zinc/07/67/21/353076721.db2.gz UHZIUACNTRUILL-UHFFFAOYSA-N 1 1 305.338 1.543 20 5 DDBDMO O=C1[C@@H]([NH+]2CCC(CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067377213 353046294 /nfs/dbraw/zinc/04/62/94/353046294.db2.gz ZZLUJCLDZNPYMJ-HNNXBMFYSA-N 1 1 319.361 1.404 20 5 DDBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000068118527 353090009 /nfs/dbraw/zinc/09/00/09/353090009.db2.gz HDUTYEPVCRTIJZ-OLZOCXBDSA-N 1 1 323.397 1.418 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174173048 198302068 /nfs/dbraw/zinc/30/20/68/198302068.db2.gz DJKCXOSHIONTCT-ZDUSSCGKSA-N 1 1 319.361 1.389 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000174285277 198314934 /nfs/dbraw/zinc/31/49/34/198314934.db2.gz FRZJXCDJLKYKBR-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000074316762 353306783 /nfs/dbraw/zinc/30/67/83/353306783.db2.gz MCKTXSDGQWJDLF-LBPRGKRZSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000074316762 353306784 /nfs/dbraw/zinc/30/67/84/353306784.db2.gz MCKTXSDGQWJDLF-LBPRGKRZSA-N 1 1 313.379 1.156 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000174590078 198356789 /nfs/dbraw/zinc/35/67/89/198356789.db2.gz LNEYDDZGKZERDH-OCCSQVGLSA-N 1 1 321.377 1.512 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174618406 198361082 /nfs/dbraw/zinc/36/10/82/198361082.db2.gz FXMPYNZSXRJGBW-TZMCWYRMSA-N 1 1 321.377 1.512 20 5 DDBDMO Cc1ccnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000078404361 353515225 /nfs/dbraw/zinc/51/52/25/353515225.db2.gz RRSULMXUKRXQDG-CYBMUJFWSA-N 1 1 306.366 1.457 20 5 DDBDMO CCCC[N@@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000078665045 353527764 /nfs/dbraw/zinc/52/77/64/353527764.db2.gz QXAVOCMLJRDUBT-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000078960995 353543151 /nfs/dbraw/zinc/54/31/51/353543151.db2.gz IHVKREMAINXHPQ-NSHDSACASA-N 1 1 309.370 1.018 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080433646 353607227 /nfs/dbraw/zinc/60/72/27/353607227.db2.gz YCESAOVMHNHANS-CQSZACIVSA-N 1 1 321.402 1.858 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000088718358 353757674 /nfs/dbraw/zinc/75/76/74/353757674.db2.gz PAPWLLYPXZHOOK-CYBMUJFWSA-N 1 1 320.393 1.903 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000089265856 353763758 /nfs/dbraw/zinc/76/37/58/353763758.db2.gz YSTWVCRNPNFFMB-LBPRGKRZSA-N 1 1 307.350 1.668 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1[N+](=O)[O-] ZINC000092188576 353846299 /nfs/dbraw/zinc/84/62/99/353846299.db2.gz NSUOQMSBTRTBNW-CQSZACIVSA-N 1 1 318.377 1.893 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1[N+](=O)[O-] ZINC000092188576 353846304 /nfs/dbraw/zinc/84/63/04/353846304.db2.gz NSUOQMSBTRTBNW-CQSZACIVSA-N 1 1 318.377 1.893 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000277039169 213256539 /nfs/dbraw/zinc/25/65/39/213256539.db2.gz HBIMQNHJZWFVRB-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157104798 354223619 /nfs/dbraw/zinc/22/36/19/354223619.db2.gz SINQPIQYFFDDFG-DZGCQCFKSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](O)C[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157104798 354223625 /nfs/dbraw/zinc/22/36/25/354223625.db2.gz SINQPIQYFFDDFG-DZGCQCFKSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000319219020 354520709 /nfs/dbraw/zinc/52/07/09/354520709.db2.gz SRQDACHWOXFLTB-UHFFFAOYSA-N 1 1 322.287 1.489 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310473 358490137 /nfs/dbraw/zinc/49/01/37/358490137.db2.gz PMJFASSNPBLPCY-JOYOIKCWSA-N 1 1 307.325 1.946 20 5 DDBDMO COc1cccc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000585781955 354841257 /nfs/dbraw/zinc/84/12/57/354841257.db2.gz GTKLYKWYLNOSMY-CHWSQXEVSA-N 1 1 307.350 1.513 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000588001107 354892018 /nfs/dbraw/zinc/89/20/18/354892018.db2.gz ONQNTEZXBNMFNE-IAQYHMDHSA-N 1 1 320.393 1.590 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000589505443 354998209 /nfs/dbraw/zinc/99/82/09/354998209.db2.gz IHHOEQQDYYBZGI-YGRLFVJLSA-N 1 1 308.334 1.584 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590011323 355040109 /nfs/dbraw/zinc/04/01/09/355040109.db2.gz HYVXHWXAYNKYOL-IUODEOHRSA-N 1 1 318.377 1.478 20 5 DDBDMO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045683 355043664 /nfs/dbraw/zinc/04/36/64/355043664.db2.gz SVRKMGJNYXVODN-PGUXBMHVSA-N 1 1 321.352 2.000 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332520333 235056785 /nfs/dbraw/zinc/05/67/85/235056785.db2.gz LWANRKTYVLBFAF-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332520333 235056786 /nfs/dbraw/zinc/05/67/86/235056786.db2.gz LWANRKTYVLBFAF-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591906608 355421939 /nfs/dbraw/zinc/42/19/39/355421939.db2.gz UFEJHOBSSLRPLH-GFCCVEGCSA-N 1 1 320.393 1.371 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592242288 355546088 /nfs/dbraw/zinc/54/60/88/355546088.db2.gz RHDNQAHQALDEGK-LLVKDONJSA-N 1 1 309.370 1.340 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000593029325 355774179 /nfs/dbraw/zinc/77/41/79/355774179.db2.gz FFXPAVAPRACXDH-IUODEOHRSA-N 1 1 319.361 1.517 20 5 DDBDMO COCC[NH2+]C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593728582 355977715 /nfs/dbraw/zinc/97/77/15/355977715.db2.gz XPSWFMYHYSMMRO-UHFFFAOYSA-N 1 1 309.366 1.501 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593883540 356039847 /nfs/dbraw/zinc/03/98/47/356039847.db2.gz OJTMZFCKAUOGLN-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594065568 356103510 /nfs/dbraw/zinc/10/35/10/356103510.db2.gz SKFINWNIXKNPIR-LLVKDONJSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594065568 356103516 /nfs/dbraw/zinc/10/35/16/356103516.db2.gz SKFINWNIXKNPIR-LLVKDONJSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595744661 356632337 /nfs/dbraw/zinc/63/23/37/356632337.db2.gz LKPRLBYLASVLSC-ATCWAGBWSA-N 1 1 321.377 1.506 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595744661 356632341 /nfs/dbraw/zinc/63/23/41/356632341.db2.gz LKPRLBYLASVLSC-ATCWAGBWSA-N 1 1 321.377 1.506 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755613 356637831 /nfs/dbraw/zinc/63/78/31/356637831.db2.gz BJOQBJIHWVLDEH-MEBBXXQBSA-N 1 1 302.334 1.939 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755613 356637833 /nfs/dbraw/zinc/63/78/33/356637833.db2.gz BJOQBJIHWVLDEH-MEBBXXQBSA-N 1 1 302.334 1.939 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595756501 356638656 /nfs/dbraw/zinc/63/86/56/356638656.db2.gz GMPCFPUGDNDKMI-WBMJQRKESA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595756501 356638662 /nfs/dbraw/zinc/63/86/62/356638662.db2.gz GMPCFPUGDNDKMI-WBMJQRKESA-N 1 1 319.361 1.810 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000595872665 356686780 /nfs/dbraw/zinc/68/67/80/356686780.db2.gz KLOYHUHEBMQXKW-WBMJQRKESA-N 1 1 324.377 1.933 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595908469 356701698 /nfs/dbraw/zinc/70/16/98/356701698.db2.gz IMQLOSMHZXRZHO-GASCZTMLSA-N 1 1 306.366 1.684 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCO1 ZINC000596207345 356814112 /nfs/dbraw/zinc/81/41/12/356814112.db2.gz DGYLAORCNIALFP-LLVKDONJSA-N 1 1 310.354 1.608 20 5 DDBDMO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014781 357041061 /nfs/dbraw/zinc/04/10/61/357041061.db2.gz RYFJYUWLQMFDJU-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014781 357041065 /nfs/dbraw/zinc/04/10/65/357041065.db2.gz RYFJYUWLQMFDJU-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnn4c3CCC4)nc2c1 ZINC000597114927 357064773 /nfs/dbraw/zinc/06/47/73/357064773.db2.gz CYXFLDXEPVAOSX-UHFFFAOYSA-N 1 1 312.333 1.904 20 5 DDBDMO CN(CC1C[NH+](C)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598161194 357478505 /nfs/dbraw/zinc/47/85/05/357478505.db2.gz CAXWMORAQFVFTH-UHFFFAOYSA-N 1 1 303.322 1.105 20 5 DDBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CC)C(=O)OCC ZINC000276824299 213116166 /nfs/dbraw/zinc/11/61/66/213116166.db2.gz OUCPPYNTDWPOIQ-ZDUSSCGKSA-N 1 1 312.370 1.845 20 5 DDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CC)C(=O)OCC ZINC000276824299 213116168 /nfs/dbraw/zinc/11/61/68/213116168.db2.gz OUCPPYNTDWPOIQ-ZDUSSCGKSA-N 1 1 312.370 1.845 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC1COC1)c1cccc([N+](=O)[O-])c1 ZINC000599079325 357809056 /nfs/dbraw/zinc/80/90/56/357809056.db2.gz DPHGMXADXIUISU-AWEZNQCLSA-N 1 1 302.334 1.654 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1C[C@@H](O)C1 ZINC000599673868 358019609 /nfs/dbraw/zinc/01/96/09/358019609.db2.gz UVPFSUZYYATKIJ-VDISTLRHSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237375550 202248367 /nfs/dbraw/zinc/24/83/67/202248367.db2.gz TVDXZADYHAEZKR-RNCFNFMXSA-N 1 1 317.349 1.813 20 5 DDBDMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600690441 358283740 /nfs/dbraw/zinc/28/37/40/358283740.db2.gz KSYJLNKMPQZGBE-LBPRGKRZSA-N 1 1 307.350 1.356 20 5 DDBDMO CC(C)N1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601110525 358405476 /nfs/dbraw/zinc/40/54/76/358405476.db2.gz DIDMRINHMCZAGE-NSHDSACASA-N 1 1 314.345 1.986 20 5 DDBDMO Cc1cc([N+](=O)[O-])nn1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601960860 358754623 /nfs/dbraw/zinc/75/46/23/358754623.db2.gz WVFGYYWAYBPQCM-INIZCTEOSA-N 1 1 316.361 1.737 20 5 DDBDMO O=[N+]([O-])c1nccn1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601965307 358755919 /nfs/dbraw/zinc/75/59/19/358755919.db2.gz UAPAUJNZAZIPRZ-HNNXBMFYSA-N 1 1 302.334 1.428 20 5 DDBDMO Cn1cc(C[N@H+]2CCSC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602618539 359077630 /nfs/dbraw/zinc/07/76/30/359077630.db2.gz IXBNMRLBJMNFMQ-UHFFFAOYSA-N 1 1 312.395 1.426 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000602793658 359196750 /nfs/dbraw/zinc/19/67/50/359196750.db2.gz CFASUUYFDAMPIL-AWEZNQCLSA-N 1 1 308.382 1.848 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000602903828 359284466 /nfs/dbraw/zinc/28/44/66/359284466.db2.gz SUFAFDCSXSEORT-CYBMUJFWSA-N 1 1 321.381 1.044 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899260 359280935 /nfs/dbraw/zinc/28/09/35/359280935.db2.gz OYVPQTBVUBQMBM-AAEUAGOBSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899260 359280940 /nfs/dbraw/zinc/28/09/40/359280940.db2.gz OYVPQTBVUBQMBM-AAEUAGOBSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963873 359327731 /nfs/dbraw/zinc/32/77/31/359327731.db2.gz JLEQPQOAGDOFCA-SWLSCSKDSA-N 1 1 310.350 1.575 20 5 DDBDMO CC[C@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982687 359337665 /nfs/dbraw/zinc/33/76/65/359337665.db2.gz WUAJRYJQQFKXQC-HOCLYGCPSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC[N@@H+](C)C1CC1 ZINC000186782719 200009670 /nfs/dbraw/zinc/00/96/70/200009670.db2.gz GWFRCXGBMCTDBX-GFCCVEGCSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000603400393 359616400 /nfs/dbraw/zinc/61/64/00/359616400.db2.gz HLLCJWDUHKEZBL-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO CC(C)(C(=O)N1CC[NH+](C2CCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000609594508 360330625 /nfs/dbraw/zinc/33/06/25/360330625.db2.gz AGJWRINGKHOPCF-UHFFFAOYSA-N 1 1 321.381 1.223 20 5 DDBDMO O=C(C[N@@H+](CCCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610132906 360384794 /nfs/dbraw/zinc/38/47/94/360384794.db2.gz CKNWIBSNZSVQOY-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@H+](CCCO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610132906 360384795 /nfs/dbraw/zinc/38/47/95/360384795.db2.gz CKNWIBSNZSVQOY-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610808399 360542483 /nfs/dbraw/zinc/54/24/83/360542483.db2.gz IJRXARYEYXTDMG-NSHDSACASA-N 1 1 324.406 1.399 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000610844712 360551042 /nfs/dbraw/zinc/55/10/42/360551042.db2.gz OBWFYEKGXKHYKL-UHFFFAOYSA-N 1 1 312.333 1.767 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611165989 360643232 /nfs/dbraw/zinc/64/32/32/360643232.db2.gz UADBHZXQKUTCFP-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000611087903 360619177 /nfs/dbraw/zinc/61/91/77/360619177.db2.gz QSJOUHINQBFGPK-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000611087903 360619178 /nfs/dbraw/zinc/61/91/78/360619178.db2.gz QSJOUHINQBFGPK-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525546 360747021 /nfs/dbraw/zinc/74/70/21/360747021.db2.gz KEEGBZZHPRZSNQ-LLVKDONJSA-N 1 1 308.382 1.813 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000611616830 360777152 /nfs/dbraw/zinc/77/71/52/360777152.db2.gz NNGNTBLXIMEAKH-UHFFFAOYSA-N 1 1 316.365 1.667 20 5 DDBDMO Cn1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1=O ZINC000612469088 361032174 /nfs/dbraw/zinc/03/21/74/361032174.db2.gz JGKPTMLEJKKUKI-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO Cn1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1=O ZINC000612469088 361032176 /nfs/dbraw/zinc/03/21/76/361032176.db2.gz JGKPTMLEJKKUKI-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193389453 201043282 /nfs/dbraw/zinc/04/32/82/201043282.db2.gz LJCNPWNMZRQJME-ZDUSSCGKSA-N 1 1 321.425 1.863 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000359099315 299327997 /nfs/dbraw/zinc/32/79/97/299327997.db2.gz VFLMGVYXNSFZMO-LBPRGKRZSA-N 1 1 321.381 1.358 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579422462 422764652 /nfs/dbraw/zinc/76/46/52/422764652.db2.gz RKXDSZADPBWGNR-GFCCVEGCSA-N 1 1 309.366 1.393 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000618920882 363801545 /nfs/dbraw/zinc/80/15/45/363801545.db2.gz GSJQTBJJKXWBDJ-UHFFFAOYSA-N 1 1 307.354 1.048 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249601785 202806362 /nfs/dbraw/zinc/80/63/62/202806362.db2.gz YNTVMQWAUQGVFC-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249601785 202806366 /nfs/dbraw/zinc/80/63/66/202806366.db2.gz YNTVMQWAUQGVFC-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067543 212101930 /nfs/dbraw/zinc/10/19/30/212101930.db2.gz AHXMBWQYVPLIHR-GXSJLCMTSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067543 212101932 /nfs/dbraw/zinc/10/19/32/212101932.db2.gz AHXMBWQYVPLIHR-GXSJLCMTSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275067543 212101937 /nfs/dbraw/zinc/10/19/37/212101937.db2.gz AHXMBWQYVPLIHR-GXSJLCMTSA-N 1 1 309.370 1.293 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000266073064 205074219 /nfs/dbraw/zinc/07/42/19/205074219.db2.gz FLUDKRYKWZYYEQ-LBPRGKRZSA-N 1 1 307.350 1.354 20 5 DDBDMO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000288499349 220181303 /nfs/dbraw/zinc/18/13/03/220181303.db2.gz MJFGACROHXRHEX-JTQLQIEISA-N 1 1 313.379 1.233 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000435994645 307305036 /nfs/dbraw/zinc/30/50/36/307305036.db2.gz OSTKKZVPYWJLOQ-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000273900663 211156902 /nfs/dbraw/zinc/15/69/02/211156902.db2.gz BOIYCNXYGFLFAL-ZDUSSCGKSA-N 1 1 304.350 1.631 20 5 DDBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000273900663 211156905 /nfs/dbraw/zinc/15/69/05/211156905.db2.gz BOIYCNXYGFLFAL-ZDUSSCGKSA-N 1 1 304.350 1.631 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000285020503 218258502 /nfs/dbraw/zinc/25/85/02/218258502.db2.gz ZCFHCPNTCCCPCM-GVDBMIGSSA-N 1 1 320.389 1.999 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000106394222 194206634 /nfs/dbraw/zinc/20/66/34/194206634.db2.gz CWMRAVPSGNQKRH-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917676 251276372 /nfs/dbraw/zinc/27/63/72/251276372.db2.gz UWDBFHJLMILHSN-JOYOIKCWSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917676 251276377 /nfs/dbraw/zinc/27/63/77/251276377.db2.gz UWDBFHJLMILHSN-JOYOIKCWSA-N 1 1 304.306 1.600 20 5 DDBDMO COc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418996550 532958912 /nfs/dbraw/zinc/95/89/12/532958912.db2.gz FJSNLTQUGGGNER-NWDGAFQWSA-N 1 1 309.366 1.495 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2C1 ZINC000352581870 285155947 /nfs/dbraw/zinc/15/59/47/285155947.db2.gz AGYWZMBXVOKQIC-UHFFFAOYSA-N 1 1 301.306 1.410 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)c2ccccc2C1 ZINC000352581870 285155949 /nfs/dbraw/zinc/15/59/49/285155949.db2.gz AGYWZMBXVOKQIC-UHFFFAOYSA-N 1 1 301.306 1.410 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352659750 285204258 /nfs/dbraw/zinc/20/42/58/285204258.db2.gz LDZFEUSGPDYADK-DDTOSNHZSA-N 1 1 307.350 1.767 20 5 DDBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452042393 285267376 /nfs/dbraw/zinc/26/73/76/285267376.db2.gz TZAMINWOYYCISV-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000299221371 533215019 /nfs/dbraw/zinc/21/50/19/533215019.db2.gz NGZCCQJLIFHMAS-ZFWWWQNUSA-N 1 1 319.361 1.960 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)[N@@H+](C)C1 ZINC000331971429 533283936 /nfs/dbraw/zinc/28/39/36/533283936.db2.gz LAHWMCRFOFHVOZ-GJZGRUSLSA-N 1 1 319.361 1.199 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075676209 406939353 /nfs/dbraw/zinc/93/93/53/406939353.db2.gz LEUUGHXPFCNKDJ-CQSZACIVSA-N 1 1 307.350 1.124 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077309133 406984818 /nfs/dbraw/zinc/98/48/18/406984818.db2.gz IWAVLLCIVSKTOI-UHFFFAOYSA-N 1 1 324.356 1.101 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(CC(F)F)CC2)n1 ZINC000091084859 407176252 /nfs/dbraw/zinc/17/62/52/407176252.db2.gz GYLHQSCPRZBEMK-UHFFFAOYSA-N 1 1 303.313 1.064 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066832928 407260093 /nfs/dbraw/zinc/26/00/93/407260093.db2.gz JOTRDEHLGFQHCT-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066832928 407260094 /nfs/dbraw/zinc/26/00/94/407260094.db2.gz JOTRDEHLGFQHCT-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C1CCCCC1 ZINC000123434659 407328817 /nfs/dbraw/zinc/32/88/17/407328817.db2.gz SBOFPTVNUVXXPN-UHFFFAOYSA-N 1 1 322.365 1.690 20 5 DDBDMO CC[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067374423 407272005 /nfs/dbraw/zinc/27/20/05/407272005.db2.gz VWAXVGFLZLBVPT-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107696849 407378198 /nfs/dbraw/zinc/37/81/98/407378198.db2.gz MGEQTVWHGGWOIJ-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108341334 407384729 /nfs/dbraw/zinc/38/47/29/407384729.db2.gz KSSVFQROQOSGLK-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000127498491 407438855 /nfs/dbraw/zinc/43/88/55/407438855.db2.gz HVPMAKGSLRFCGD-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000109331391 407397495 /nfs/dbraw/zinc/39/74/95/407397495.db2.gz KBGXLFFRXBIROQ-CYBMUJFWSA-N 1 1 322.365 1.331 20 5 DDBDMO C[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127716538 407459180 /nfs/dbraw/zinc/45/91/80/407459180.db2.gz NRILAAWMYZHLJG-KBPBESRZSA-N 1 1 306.410 1.881 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000265947300 407523207 /nfs/dbraw/zinc/52/32/07/407523207.db2.gz KAYVJKIEIKPNQH-CMPLNLGQSA-N 1 1 323.397 1.439 20 5 DDBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185863090 407523764 /nfs/dbraw/zinc/52/37/64/407523764.db2.gz QIKNQBFEYKAGSD-AWEZNQCLSA-N 1 1 306.410 1.710 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129458012 407612998 /nfs/dbraw/zinc/61/29/98/407612998.db2.gz QGZRAUNSPQGQBF-CYBMUJFWSA-N 1 1 323.368 1.888 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCCO)CC1 ZINC000266739739 407618120 /nfs/dbraw/zinc/61/81/20/407618120.db2.gz MZCMHYFCEBWYGC-UHFFFAOYSA-N 1 1 321.377 1.515 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)C1 ZINC000266922689 407678495 /nfs/dbraw/zinc/67/84/95/407678495.db2.gz MIOJDRXESDLHHN-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000179259065 407761732 /nfs/dbraw/zinc/76/17/32/407761732.db2.gz QLSVBUGEHUCIQH-ZDUSSCGKSA-N 1 1 323.418 1.991 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268051513 407869164 /nfs/dbraw/zinc/86/91/64/407869164.db2.gz QBFWICJFOFXSJG-UHFFFAOYSA-N 1 1 323.393 1.612 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)o1 ZINC000187668838 407878060 /nfs/dbraw/zinc/87/80/60/407878060.db2.gz PLDGINFVUMTOQM-RYUDHWBXSA-N 1 1 318.329 1.782 20 5 DDBDMO CC[N@H+]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826840 407949405 /nfs/dbraw/zinc/94/94/05/407949405.db2.gz DVNIPWIDGZWZAZ-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO CCN1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826840 407949414 /nfs/dbraw/zinc/94/94/14/407949414.db2.gz DVNIPWIDGZWZAZ-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO CCN1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118826840 407949422 /nfs/dbraw/zinc/94/94/22/407949422.db2.gz DVNIPWIDGZWZAZ-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO COC(=O)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000154273137 408007603 /nfs/dbraw/zinc/00/76/03/408007603.db2.gz XXGDULIAXUFTMA-CQSZACIVSA-N 1 1 310.350 1.902 20 5 DDBDMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000272865605 408014644 /nfs/dbraw/zinc/01/46/44/408014644.db2.gz SVGSUJZWFBCGHL-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1C[C@H](C)O ZINC000268479686 408065225 /nfs/dbraw/zinc/06/52/25/408065225.db2.gz LCRLUWVUTSKYIN-AAEUAGOBSA-N 1 1 308.382 1.580 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220767 408099032 /nfs/dbraw/zinc/09/90/32/408099032.db2.gz DQGXXAUHODJIDV-MCIONIFRSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000182240993 408104843 /nfs/dbraw/zinc/10/48/43/408104843.db2.gz USQXRHZWBVNUCK-KGLIPLIRSA-N 1 1 321.377 1.115 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000190009697 408145036 /nfs/dbraw/zinc/14/50/36/408145036.db2.gz AHZFOKCVOXAIOA-LBPRGKRZSA-N 1 1 310.350 1.039 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492231 408179094 /nfs/dbraw/zinc/17/90/94/408179094.db2.gz LZPBWQMQNGGYDP-UPJWGTAASA-N 1 1 310.350 1.037 20 5 DDBDMO CCOC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273496463 408223157 /nfs/dbraw/zinc/22/31/57/408223157.db2.gz XWNYHXVAMWAEPG-UHFFFAOYSA-N 1 1 322.361 1.793 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000151201725 408274588 /nfs/dbraw/zinc/27/45/88/408274588.db2.gz PPQHYZSTGZVYKW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000151201725 408274596 /nfs/dbraw/zinc/27/45/96/408274596.db2.gz PPQHYZSTGZVYKW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000246756425 408333124 /nfs/dbraw/zinc/33/31/24/408333124.db2.gz BPZHPKOFDGUVHB-IUODEOHRSA-N 1 1 305.378 1.982 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202354 408351849 /nfs/dbraw/zinc/35/18/49/408351849.db2.gz UVHSEDUHHAFEIX-QWRGUYRKSA-N 1 1 308.334 1.664 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889178 408361692 /nfs/dbraw/zinc/36/16/92/408361692.db2.gz IUDPJRCCILMRBC-ZIAGYGMSSA-N 1 1 319.409 1.960 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177001273 408495582 /nfs/dbraw/zinc/49/55/82/408495582.db2.gz VOLLBBZBLOSHEZ-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000264538364 408526522 /nfs/dbraw/zinc/52/65/22/408526522.db2.gz AGVMVPBCJHUVEQ-GFCCVEGCSA-N 1 1 308.338 1.437 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000191724891 408477175 /nfs/dbraw/zinc/47/71/75/408477175.db2.gz PFSWXKMPMJJOFV-PWSUYJOCSA-N 1 1 310.350 1.672 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000248529511 408582070 /nfs/dbraw/zinc/58/20/70/408582070.db2.gz DSAWPCPXUKTZTM-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000192619679 408619106 /nfs/dbraw/zinc/61/91/06/408619106.db2.gz ABCDTGJNYQCLON-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000192619679 408619109 /nfs/dbraw/zinc/61/91/09/408619109.db2.gz ABCDTGJNYQCLON-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC[C@H]1CCCO1 ZINC000248784317 408632969 /nfs/dbraw/zinc/63/29/69/408632969.db2.gz XLFIXPBKJDHMEO-HUUCEWRRSA-N 1 1 324.377 1.583 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000185309818 408794233 /nfs/dbraw/zinc/79/42/33/408794233.db2.gz MXOZXUWPJWJYAP-SKDRFNHKSA-N 1 1 307.354 1.031 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583228 408746394 /nfs/dbraw/zinc/74/63/94/408746394.db2.gz RYCHDWKQRXKZHQ-BXUZGUMPSA-N 1 1 310.350 1.685 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000270932652 408747062 /nfs/dbraw/zinc/74/70/62/408747062.db2.gz QIWAYYPVQJQEHU-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000270932652 408747068 /nfs/dbraw/zinc/74/70/68/408747068.db2.gz QIWAYYPVQJQEHU-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000249699037 408756940 /nfs/dbraw/zinc/75/69/40/408756940.db2.gz WMUQOSNHKKFNMV-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000185128309 408764997 /nfs/dbraw/zinc/76/49/97/408764997.db2.gz QNRDFNIVVJHSNI-AEJSXWLSSA-N 1 1 307.354 1.080 20 5 DDBDMO C[N@H+](CCCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000276455691 408861244 /nfs/dbraw/zinc/86/12/44/408861244.db2.gz WNGHTXMMYOTGGG-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[N@@H+](CCCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000276455691 408861248 /nfs/dbraw/zinc/86/12/48/408861248.db2.gz WNGHTXMMYOTGGG-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000191077404 163170843 /nfs/dbraw/zinc/17/08/43/163170843.db2.gz LSBUAPUHBHZNJX-UHFFFAOYSA-N 1 1 311.363 1.064 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278121958 409069475 /nfs/dbraw/zinc/06/94/75/409069475.db2.gz LSYJNICKOFVECU-LBPRGKRZSA-N 1 1 303.322 1.182 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762887 409176523 /nfs/dbraw/zinc/17/65/23/409176523.db2.gz PDSGYYYLJNBECO-CHWSQXEVSA-N 1 1 321.425 1.464 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000294128155 409245185 /nfs/dbraw/zinc/24/51/85/409245185.db2.gz MECLBPKDIMLTRX-OAHLLOKOSA-N 1 1 321.381 1.126 20 5 DDBDMO CCOC(=O)c1ccnc(NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280142496 409257628 /nfs/dbraw/zinc/25/76/28/409257628.db2.gz FHLAEAAFZHPHQN-UHFFFAOYSA-N 1 1 320.349 1.840 20 5 DDBDMO CCOC(=O)c1ccnc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280142496 409257632 /nfs/dbraw/zinc/25/76/32/409257632.db2.gz FHLAEAAFZHPHQN-UHFFFAOYSA-N 1 1 320.349 1.840 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000294780844 409303547 /nfs/dbraw/zinc/30/35/47/409303547.db2.gz GUAMNCUVWINMPS-UHFFFAOYSA-N 1 1 324.356 1.624 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncccc1[N+](=O)[O-])C(C)C ZINC000295047090 409308819 /nfs/dbraw/zinc/30/88/19/409308819.db2.gz XFQIJGGTVSBSKH-LBPRGKRZSA-N 1 1 310.354 1.579 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295498736 409317283 /nfs/dbraw/zinc/31/72/83/409317283.db2.gz PBGBMBXMUBAYGJ-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO Cn1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000295979244 409389522 /nfs/dbraw/zinc/38/95/22/409389522.db2.gz JYLDVMIOSXOUDW-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284571799 409351517 /nfs/dbraw/zinc/35/15/17/409351517.db2.gz OKWSUCKTVFRBON-NWDGAFQWSA-N 1 1 312.757 1.553 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000295389566 409461517 /nfs/dbraw/zinc/46/15/17/409461517.db2.gz HMWSHXVDZWYLHV-CYBMUJFWSA-N 1 1 307.350 1.171 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356725046 409551131 /nfs/dbraw/zinc/55/11/31/409551131.db2.gz DJNSDUTWTRTTSK-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO CC[N@H+](Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304302908 409598956 /nfs/dbraw/zinc/59/89/56/409598956.db2.gz IQZOGWMHRGYCBU-OAHLLOKOSA-N 1 1 322.340 1.813 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533983 409611901 /nfs/dbraw/zinc/61/19/01/409611901.db2.gz POWVGFFLXBATOO-ZANVPECISA-N 1 1 307.325 1.946 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835048 409647940 /nfs/dbraw/zinc/64/79/40/409647940.db2.gz BFTQUMIKABYBSH-NEPJUHHUSA-N 1 1 323.397 1.349 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338183025 409782584 /nfs/dbraw/zinc/78/25/84/409782584.db2.gz YYNSCWTYYMWMEJ-UHFFFAOYSA-N 1 1 320.353 1.238 20 5 DDBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000357308547 409967225 /nfs/dbraw/zinc/96/72/25/409967225.db2.gz WNYSRUZWRVXNEZ-QWRGUYRKSA-N 1 1 321.381 1.621 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332228480 409994862 /nfs/dbraw/zinc/99/48/62/409994862.db2.gz LIEXJGVTLDXTAY-WDEREUQCSA-N 1 1 303.366 1.996 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1COC[C@H]1O ZINC000339192479 410069434 /nfs/dbraw/zinc/06/94/34/410069434.db2.gz GDTHDUPFQOHNEI-NWDGAFQWSA-N 1 1 320.267 1.805 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1COC[C@H]1O ZINC000339192479 410069438 /nfs/dbraw/zinc/06/94/38/410069438.db2.gz GDTHDUPFQOHNEI-NWDGAFQWSA-N 1 1 320.267 1.805 20 5 DDBDMO CCOc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000357601771 410125924 /nfs/dbraw/zinc/12/59/24/410125924.db2.gz RQZABKWMYFTRBQ-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO COc1ccc(OCCN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847589 410287026 /nfs/dbraw/zinc/28/70/26/410287026.db2.gz AQPRIDCYSKHMQV-RYUDHWBXSA-N 1 1 309.366 1.651 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916701 410323912 /nfs/dbraw/zinc/32/39/12/410323912.db2.gz WSEVJZYYJYOOAN-GFCCVEGCSA-N 1 1 323.397 1.713 20 5 DDBDMO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347011791 410312581 /nfs/dbraw/zinc/31/25/81/410312581.db2.gz MLGILANBLTWHOU-CYBMUJFWSA-N 1 1 319.361 1.912 20 5 DDBDMO COc1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000298924140 410452604 /nfs/dbraw/zinc/45/26/04/410452604.db2.gz JLSTZINWACZGLT-UHFFFAOYSA-N 1 1 322.365 1.451 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186866 410533245 /nfs/dbraw/zinc/53/32/45/410533245.db2.gz OJQDLPLIFVPMMG-UONOGXRCSA-N 1 1 310.350 1.445 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000343580961 410548748 /nfs/dbraw/zinc/54/87/48/410548748.db2.gz XYYLRHIMFQBWQE-NSHDSACASA-N 1 1 324.356 1.920 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000343595921 410560314 /nfs/dbraw/zinc/56/03/14/410560314.db2.gz HSOGKQHRPSGMBC-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924339 410735896 /nfs/dbraw/zinc/73/58/96/410735896.db2.gz ZBDOFTHHXBSYOZ-JOYOIKCWSA-N 1 1 317.349 1.684 20 5 DDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000301717971 410779654 /nfs/dbraw/zinc/77/96/54/410779654.db2.gz OKRQQLNXNWEZQX-SNVBAGLBSA-N 1 1 317.353 1.160 20 5 DDBDMO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(C)nn(C)c1C ZINC000348048396 410823751 /nfs/dbraw/zinc/82/37/51/410823751.db2.gz PPUAAGFCLVUXTE-NSHDSACASA-N 1 1 306.370 1.920 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301890183 410824688 /nfs/dbraw/zinc/82/46/88/410824688.db2.gz TWUVLKJBCHORFP-LLVKDONJSA-N 1 1 304.354 1.416 20 5 DDBDMO COc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000301943198 410832204 /nfs/dbraw/zinc/83/22/04/410832204.db2.gz XYMNQXUWVUXUFE-TZMCWYRMSA-N 1 1 311.313 1.262 20 5 DDBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348211746 410856457 /nfs/dbraw/zinc/85/64/57/410856457.db2.gz FXNIZQZDTQYCEX-CYBMUJFWSA-N 1 1 318.377 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000302823498 410869031 /nfs/dbraw/zinc/86/90/31/410869031.db2.gz UYTOVVBFFMROMS-LBPRGKRZSA-N 1 1 309.341 1.892 20 5 DDBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC1 ZINC000337621266 410903548 /nfs/dbraw/zinc/90/35/48/410903548.db2.gz OSPRHTBGMRSZRW-LLVKDONJSA-N 1 1 309.391 1.897 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344070171 410935357 /nfs/dbraw/zinc/93/53/57/410935357.db2.gz QCESWHXJBJBEJF-SGMGOOAPSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344070171 410935359 /nfs/dbraw/zinc/93/53/59/410935359.db2.gz QCESWHXJBJBEJF-SGMGOOAPSA-N 1 1 319.361 1.544 20 5 DDBDMO C[NH+]1CCC(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000129004834 196011733 /nfs/dbraw/zinc/01/17/33/196011733.db2.gz DKCGPSWXUYRPLC-UHFFFAOYSA-N 1 1 317.349 1.543 20 5 DDBDMO O=C(NC[C@H]1CCC[NH2+]C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129818942 196078467 /nfs/dbraw/zinc/07/84/67/196078467.db2.gz DISBGAHEELPXIK-VIFPVBQESA-N 1 1 303.322 1.201 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131548850 196178630 /nfs/dbraw/zinc/17/86/30/196178630.db2.gz GDWLWISYATYZGK-AWEZNQCLSA-N 1 1 321.377 1.052 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000366737319 418510832 /nfs/dbraw/zinc/51/08/32/418510832.db2.gz GRXHWOBFYZVVGM-CYBMUJFWSA-N 1 1 309.322 1.348 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366810982 418519889 /nfs/dbraw/zinc/51/98/89/418519889.db2.gz QQKQLROFQGJROF-LERXQTSPSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366810982 418519892 /nfs/dbraw/zinc/51/98/92/418519892.db2.gz QQKQLROFQGJROF-LERXQTSPSA-N 1 1 305.334 1.245 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC[C@@H]1CCCO1 ZINC000192707574 418527075 /nfs/dbraw/zinc/52/70/75/418527075.db2.gz XLFIXPBKJDHMEO-CABCVRRESA-N 1 1 324.377 1.583 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000360575213 418468718 /nfs/dbraw/zinc/46/87/18/418468718.db2.gz WEQNDZOXCVSBJJ-UHFFFAOYSA-N 1 1 309.370 1.323 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000191678694 222107517 /nfs/dbraw/zinc/10/75/17/222107517.db2.gz WECAAVLCWGPBQZ-RYUDHWBXSA-N 1 1 321.381 1.368 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375057011 418598125 /nfs/dbraw/zinc/59/81/25/418598125.db2.gz DPTNQYBJAPRMEX-IUODEOHRSA-N 1 1 319.361 1.526 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000361342567 418630551 /nfs/dbraw/zinc/63/05/51/418630551.db2.gz NLRPSRQTIDVRPF-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362575 418635623 /nfs/dbraw/zinc/63/56/23/418635623.db2.gz TYPVGOVIHFKGSI-VXGBXAGGSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362575 418635624 /nfs/dbraw/zinc/63/56/24/418635624.db2.gz TYPVGOVIHFKGSI-VXGBXAGGSA-N 1 1 307.350 1.951 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408113048 418787909 /nfs/dbraw/zinc/78/79/09/418787909.db2.gz PUCAZXFUQMTZSW-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408113048 418787911 /nfs/dbraw/zinc/78/79/11/418787911.db2.gz PUCAZXFUQMTZSW-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO Cc1cc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000364922267 418822818 /nfs/dbraw/zinc/82/28/18/418822818.db2.gz MQEUVYRMDRSAOZ-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CC(=O)c1ccc(N2CCC[N@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364954051 418828092 /nfs/dbraw/zinc/82/80/92/418828092.db2.gz JEKBGCMVJPMVNY-GFCCVEGCSA-N 1 1 321.377 1.690 20 5 DDBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000365649777 418889198 /nfs/dbraw/zinc/88/91/98/418889198.db2.gz PKJXJYSQFHYCOI-GFCCVEGCSA-N 1 1 304.354 1.404 20 5 DDBDMO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280826 418851282 /nfs/dbraw/zinc/85/12/82/418851282.db2.gz GGUXTZHUNZNGBI-QWHCGFSZSA-N 1 1 323.397 1.685 20 5 DDBDMO CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280826 418851284 /nfs/dbraw/zinc/85/12/84/418851284.db2.gz GGUXTZHUNZNGBI-QWHCGFSZSA-N 1 1 323.397 1.685 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411914761 419481812 /nfs/dbraw/zinc/48/18/12/419481812.db2.gz QSQXITSTLLQRPD-UHFFFAOYSA-N 1 1 320.349 1.052 20 5 DDBDMO CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420990901 419429599 /nfs/dbraw/zinc/42/95/99/419429599.db2.gz VHKSAUJAGDGPQO-ZDUSSCGKSA-N 1 1 320.349 1.134 20 5 DDBDMO COCC(COC)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000411840497 419433218 /nfs/dbraw/zinc/43/32/18/419433218.db2.gz DGHGXTYOELOTPX-UHFFFAOYSA-N 1 1 323.393 1.374 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002928 419438561 /nfs/dbraw/zinc/43/85/61/419438561.db2.gz BYHULHAPJANSOQ-BNOWGMLFSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421009413 419445341 /nfs/dbraw/zinc/44/53/41/419445341.db2.gz QAXQJPDJGVWYRK-WFASDCNBSA-N 1 1 320.393 1.948 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000411949195 419518528 /nfs/dbraw/zinc/51/85/28/419518528.db2.gz NDLJHUYDURLZCJ-SECBINFHSA-N 1 1 313.304 1.783 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000411949195 419518532 /nfs/dbraw/zinc/51/85/32/419518532.db2.gz NDLJHUYDURLZCJ-SECBINFHSA-N 1 1 313.304 1.783 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412029358 419574746 /nfs/dbraw/zinc/57/47/46/419574746.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412029358 419574754 /nfs/dbraw/zinc/57/47/54/419574754.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412029358 419574765 /nfs/dbraw/zinc/57/47/65/419574765.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412029358 419574774 /nfs/dbraw/zinc/57/47/74/419574774.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412029358 419574782 /nfs/dbraw/zinc/57/47/82/419574782.db2.gz OJHPQCWEVCCEIK-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000421709141 419692689 /nfs/dbraw/zinc/69/26/89/419692689.db2.gz CRKWUVXYONEQRB-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421767823 419717204 /nfs/dbraw/zinc/71/72/04/419717204.db2.gz MEMZHEUUMDZHHM-CYBMUJFWSA-N 1 1 321.377 1.662 20 5 DDBDMO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000415134784 419960617 /nfs/dbraw/zinc/96/06/17/419960617.db2.gz WDVMAQVRBKXBCK-HNNXBMFYSA-N 1 1 316.365 1.482 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000423615278 420100152 /nfs/dbraw/zinc/10/01/52/420100152.db2.gz QVQURURRFWJAKK-LBPRGKRZSA-N 1 1 319.296 1.244 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430947495 420219932 /nfs/dbraw/zinc/21/99/32/420219932.db2.gz BHDWQTNXGYSWRK-NWDGAFQWSA-N 1 1 320.393 1.981 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)C1CCC1 ZINC000439300978 420505947 /nfs/dbraw/zinc/50/59/47/420505947.db2.gz RZMYNAGBXLCJQT-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)C1CCC1 ZINC000439300978 420505949 /nfs/dbraw/zinc/50/59/49/420505949.db2.gz RZMYNAGBXLCJQT-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000441241724 420642320 /nfs/dbraw/zinc/64/23/20/420642320.db2.gz YZVOIEBLZPHMMN-CHWSQXEVSA-N 1 1 321.337 1.286 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493298965 420812592 /nfs/dbraw/zinc/81/25/92/420812592.db2.gz ZTFULIUITSYUIV-URWSZGRFSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493298965 420812597 /nfs/dbraw/zinc/81/25/97/420812597.db2.gz ZTFULIUITSYUIV-URWSZGRFSA-N 1 1 319.361 1.133 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000454370395 420848008 /nfs/dbraw/zinc/84/80/08/420848008.db2.gz XWQVZCZZSVGCNM-HIFRSBDPSA-N 1 1 318.377 1.483 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459813037 420880620 /nfs/dbraw/zinc/88/06/20/420880620.db2.gz VYVDJQNQEDEQDH-LSDHHAIUSA-N 1 1 308.382 1.664 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879220 421072609 /nfs/dbraw/zinc/07/26/09/421072609.db2.gz CBBPRZDXJQOUEJ-ZJUUUORDSA-N 1 1 319.365 1.387 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563083440 421452512 /nfs/dbraw/zinc/45/25/12/421452512.db2.gz NCGOAUOYPPZCQU-CQSZACIVSA-N 1 1 307.350 1.257 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563083440 421452516 /nfs/dbraw/zinc/45/25/16/421452516.db2.gz NCGOAUOYPPZCQU-CQSZACIVSA-N 1 1 307.350 1.257 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000550133017 421513173 /nfs/dbraw/zinc/51/31/73/421513173.db2.gz WIHYDCHWYMYPJF-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000550133017 421513177 /nfs/dbraw/zinc/51/31/77/421513177.db2.gz WIHYDCHWYMYPJF-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]c1 ZINC000531011650 421621405 /nfs/dbraw/zinc/62/14/05/421621405.db2.gz ZVQZVAQQIVTFOB-UHFFFAOYSA-N 1 1 317.349 1.869 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000518772203 421667053 /nfs/dbraw/zinc/66/70/53/421667053.db2.gz ZYNLXLMVKZXSSG-NEPJUHHUSA-N 1 1 308.382 1.784 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000554597369 421653878 /nfs/dbraw/zinc/65/38/78/421653878.db2.gz DYDQYZILULHJMH-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO Cn1cc([C@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2(C)C)cn1 ZINC000571341434 421706734 /nfs/dbraw/zinc/70/67/34/421706734.db2.gz LEBARNAKWSGBFX-GFCCVEGCSA-N 1 1 318.381 1.687 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522306428 421824122 /nfs/dbraw/zinc/82/41/22/421824122.db2.gz PDRSBBZZUDAVPY-GFCCVEGCSA-N 1 1 304.350 1.631 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000521837237 421800568 /nfs/dbraw/zinc/80/05/68/421800568.db2.gz CVKIQZORZYNMRS-JTQLQIEISA-N 1 1 305.338 1.504 20 5 DDBDMO CC[C@@]1(O)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000602983652 422441032 /nfs/dbraw/zinc/44/10/32/422441032.db2.gz PAQWYFGYFVSFIA-MRXNPFEDSA-N 1 1 321.377 1.795 20 5 DDBDMO CC[C@@]1(O)CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000602983652 422441039 /nfs/dbraw/zinc/44/10/39/422441039.db2.gz PAQWYFGYFVSFIA-MRXNPFEDSA-N 1 1 321.377 1.795 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]12CCOC2 ZINC000341956080 271259402 /nfs/dbraw/zinc/25/94/02/271259402.db2.gz SKIYNELTTRYQKY-CZUORRHYSA-N 1 1 322.361 1.589 20 5 DDBDMO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347005001 272601600 /nfs/dbraw/zinc/60/16/00/272601600.db2.gz KVUFLNXKPUOMMR-CQSZACIVSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413312699 274348786 /nfs/dbraw/zinc/34/87/86/274348786.db2.gz GHUZBLBILRPHMV-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CCC[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000302751134 276013270 /nfs/dbraw/zinc/01/32/70/276013270.db2.gz HEFOXTJXFVSGKJ-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO CC[NH+]1CCC(N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331218234 276148941 /nfs/dbraw/zinc/14/89/41/276148941.db2.gz RQNZXIMNNDCCLH-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000272188275 277146727 /nfs/dbraw/zinc/14/67/27/277146727.db2.gz LOSVBPJDZDEBNU-BXKDBHETSA-N 1 1 303.322 1.661 20 5 DDBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000090549146 277316994 /nfs/dbraw/zinc/31/69/94/277316994.db2.gz XIGKNKDZAOCVSV-UHFFFAOYSA-N 1 1 311.338 1.030 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629460 279036923 /nfs/dbraw/zinc/03/69/23/279036923.db2.gz FAGUJVBMSMTZCX-XJKSGUPXSA-N 1 1 307.394 1.902 20 5 DDBDMO O=[N+]([O-])c1cccc(OCCN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000362222651 300031511 /nfs/dbraw/zinc/03/15/11/300031511.db2.gz ZWISPTSJRFWBMY-HNNXBMFYSA-N 1 1 321.377 1.380 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000362454188 300067721 /nfs/dbraw/zinc/06/77/21/300067721.db2.gz UOLSJQINWYVUOS-UHFFFAOYSA-N 1 1 316.361 1.938 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363324522 300251209 /nfs/dbraw/zinc/25/12/09/300251209.db2.gz PQZHIGBGNIIQGF-KBPBESRZSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363564387 300283069 /nfs/dbraw/zinc/28/30/69/300283069.db2.gz TXAHQHKEHIWWFB-UONOGXRCSA-N 1 1 303.362 1.880 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC2(CCCC2)C1 ZINC000364331426 300377909 /nfs/dbraw/zinc/37/79/09/300377909.db2.gz YYIAFCZAXVTBHV-UHFFFAOYSA-N 1 1 321.377 1.649 20 5 DDBDMO O=C(N[C@H]1CCC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000368710413 301079843 /nfs/dbraw/zinc/07/98/43/301079843.db2.gz SRQSHFRTRSNJLF-VIFPVBQESA-N 1 1 303.322 1.343 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369972656 301249432 /nfs/dbraw/zinc/24/94/32/301249432.db2.gz HTVLPBIZLYYOMT-LBPRGKRZSA-N 1 1 309.370 1.297 20 5 DDBDMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369972656 301249434 /nfs/dbraw/zinc/24/94/34/301249434.db2.gz HTVLPBIZLYYOMT-LBPRGKRZSA-N 1 1 309.370 1.297 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1 ZINC000378306323 302309769 /nfs/dbraw/zinc/30/97/69/302309769.db2.gz AFAWYIAPAJOWDX-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)n1 ZINC000378306323 302309772 /nfs/dbraw/zinc/30/97/72/302309772.db2.gz AFAWYIAPAJOWDX-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444739313 302394859 /nfs/dbraw/zinc/39/48/59/302394859.db2.gz ADNONFMTAHSAHZ-AWEZNQCLSA-N 1 1 322.340 1.732 20 5 DDBDMO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000532891443 303301262 /nfs/dbraw/zinc/30/12/62/303301262.db2.gz LWGBXCLELMEOIX-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CCN(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000538379707 303384718 /nfs/dbraw/zinc/38/47/18/303384718.db2.gz HMKHONBFWLYLAD-GASCZTMLSA-N 1 1 317.389 1.816 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CCN(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000538379707 303384720 /nfs/dbraw/zinc/38/47/20/303384720.db2.gz HMKHONBFWLYLAD-GASCZTMLSA-N 1 1 317.389 1.816 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCN1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000538379707 303384722 /nfs/dbraw/zinc/38/47/22/303384722.db2.gz HMKHONBFWLYLAD-GASCZTMLSA-N 1 1 317.389 1.816 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCN1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000538379707 303384724 /nfs/dbraw/zinc/38/47/24/303384724.db2.gz HMKHONBFWLYLAD-GASCZTMLSA-N 1 1 317.389 1.816 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365115558 307059063 /nfs/dbraw/zinc/05/90/63/307059063.db2.gz ZTSFIBGLJOAREM-BDJLRTHQSA-N 1 1 319.361 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365115558 307059064 /nfs/dbraw/zinc/05/90/64/307059064.db2.gz ZTSFIBGLJOAREM-BDJLRTHQSA-N 1 1 319.361 1.769 20 5 DDBDMO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330447 307168182 /nfs/dbraw/zinc/16/81/82/307168182.db2.gz KZWUTCHFJKLOHJ-AVGNSLFASA-N 1 1 323.397 1.731 20 5 DDBDMO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330447 307168183 /nfs/dbraw/zinc/16/81/83/307168183.db2.gz KZWUTCHFJKLOHJ-AVGNSLFASA-N 1 1 323.397 1.731 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373938064 307198173 /nfs/dbraw/zinc/19/81/73/307198173.db2.gz MJVAOBUTAYURIQ-NWDGAFQWSA-N 1 1 304.350 1.655 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000373973971 307198716 /nfs/dbraw/zinc/19/87/16/307198716.db2.gz CLLMSHQCONJHFL-PSOPSSQASA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000373973971 307198717 /nfs/dbraw/zinc/19/87/17/307198717.db2.gz CLLMSHQCONJHFL-PSOPSSQASA-N 1 1 319.361 1.689 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695377 307211921 /nfs/dbraw/zinc/21/19/21/307211921.db2.gz FNIMJXROSTXSGG-FZMZJTMJSA-N 1 1 308.338 1.066 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375505424 307227043 /nfs/dbraw/zinc/22/70/43/307227043.db2.gz HBXSXRHXIBEXJV-LLVKDONJSA-N 1 1 324.337 1.396 20 5 DDBDMO NC(=O)c1ccc(NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])c1 ZINC000376485152 307245826 /nfs/dbraw/zinc/24/58/26/307245826.db2.gz CFZFGEQMZRRRTF-UHFFFAOYSA-N 1 1 315.333 1.839 20 5 DDBDMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000435994645 307305035 /nfs/dbraw/zinc/30/50/35/307305035.db2.gz OSTKKZVPYWJLOQ-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO [NH3+]CC(F)(F)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000565606540 308034530 /nfs/dbraw/zinc/03/45/30/308034530.db2.gz NJALDFKMZQKOEJ-UHFFFAOYSA-N 1 1 303.265 1.074 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000576799321 308340001 /nfs/dbraw/zinc/34/00/01/308340001.db2.gz ARGGLZYNYVILTD-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000576799321 308340002 /nfs/dbraw/zinc/34/00/02/308340002.db2.gz ARGGLZYNYVILTD-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488733445 484217429 /nfs/dbraw/zinc/21/74/29/484217429.db2.gz JJHVGGFPYLKBLG-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488733445 484217435 /nfs/dbraw/zinc/21/74/35/484217435.db2.gz JJHVGGFPYLKBLG-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419331798 533847299 /nfs/dbraw/zinc/84/72/99/533847299.db2.gz RUTJOXPZBVJYDN-STQMWFEESA-N 1 1 307.394 1.790 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444407 521326916 /nfs/dbraw/zinc/32/69/16/521326916.db2.gz COPPJLYFHGEBFH-UWVGGRQHSA-N 1 1 309.370 1.470 20 5 DDBDMO CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000412836463 527874587 /nfs/dbraw/zinc/87/45/87/527874587.db2.gz ISOHBVHTMUDFFQ-NSHDSACASA-N 1 1 323.349 1.436 20 5 DDBDMO CCC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294877908 529025884 /nfs/dbraw/zinc/02/58/84/529025884.db2.gz FROOQDVURRMWHN-OAHLLOKOSA-N 1 1 321.377 1.514 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250276 529339091 /nfs/dbraw/zinc/33/90/91/529339091.db2.gz DEJJOPRJGSIONL-DOMZBBRYSA-N 1 1 321.377 1.650 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000735883095 598500221 /nfs/dbraw/zinc/50/02/21/598500221.db2.gz WFBNPWXTFCENPA-VIFPVBQESA-N 1 1 318.341 1.065 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)[C@H](C)C2)c1 ZINC000798328741 700056552 /nfs/dbraw/zinc/05/65/52/700056552.db2.gz AENPKPSCVLJHFG-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000798328741 700056555 /nfs/dbraw/zinc/05/65/55/700056555.db2.gz AENPKPSCVLJHFG-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO O=[N+]([O-])c1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000038240161 696136664 /nfs/dbraw/zinc/13/66/64/696136664.db2.gz CUQALWSFHWNQBZ-UHFFFAOYSA-N 1 1 324.406 1.604 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000064736684 696341489 /nfs/dbraw/zinc/34/14/89/696341489.db2.gz IMGBBWSSOBKCRC-SNVBAGLBSA-N 1 1 317.349 1.748 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3OCCO3)C2)nc1 ZINC000124994879 696748357 /nfs/dbraw/zinc/74/83/57/696748357.db2.gz YPVMMOLXMSUAON-NSHDSACASA-N 1 1 308.338 1.239 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000134056586 696832988 /nfs/dbraw/zinc/83/29/88/696832988.db2.gz HWCFHUKVSUGJIO-LLVKDONJSA-N 1 1 318.782 1.915 20 5 DDBDMO CC(=O)OC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000153232770 696911473 /nfs/dbraw/zinc/91/14/73/696911473.db2.gz PFJPPTMEOIAMCG-UHFFFAOYSA-N 1 1 321.333 1.221 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000749941642 700193187 /nfs/dbraw/zinc/19/31/87/700193187.db2.gz LCCGBEDSAWEGGA-UHFFFAOYSA-N 1 1 306.326 1.376 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000776593584 698124380 /nfs/dbraw/zinc/12/43/80/698124380.db2.gz YDZBOTWCCZXDSQ-VXGBXAGGSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000776593584 698124384 /nfs/dbraw/zinc/12/43/84/698124384.db2.gz YDZBOTWCCZXDSQ-VXGBXAGGSA-N 1 1 320.267 1.627 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000780868832 698566133 /nfs/dbraw/zinc/56/61/33/698566133.db2.gz ZNGIGURVMPBJPD-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO O=C(CCN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782480615 698728245 /nfs/dbraw/zinc/72/82/45/698728245.db2.gz BAGCJZICIGYUMC-GHMZBOCLSA-N 1 1 322.340 1.214 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329724 699206256 /nfs/dbraw/zinc/20/62/56/699206256.db2.gz DEYFIXNZNRPAFU-MYPMTAMASA-N 1 1 319.361 1.214 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809861203 701696137 /nfs/dbraw/zinc/69/61/37/701696137.db2.gz SUUDTWUZZNRPJA-VIFPVBQESA-N 1 1 321.424 1.663 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743978817 699931500 /nfs/dbraw/zinc/93/15/00/699931500.db2.gz PDLWCHKFWKHUDL-LLVKDONJSA-N 1 1 320.349 1.134 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801945289 700359029 /nfs/dbraw/zinc/35/90/29/700359029.db2.gz CCVUVABKMZIZNR-UHFFFAOYSA-N 1 1 308.313 1.308 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336335 700699483 /nfs/dbraw/zinc/69/94/83/700699483.db2.gz PVEFHNWFDPSHDM-GXFFZTMASA-N 1 1 318.377 1.698 20 5 DDBDMO Cc1nonc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000809744592 701685045 /nfs/dbraw/zinc/68/50/45/701685045.db2.gz TVIOOFILXUBCDL-SECBINFHSA-N 1 1 319.321 1.793 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[NH+]1CCSCC1 ZINC000804450073 701190902 /nfs/dbraw/zinc/19/09/02/701190902.db2.gz GGMFAIKPHMRHBU-UHFFFAOYSA-N 1 1 312.351 1.964 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140402 701234018 /nfs/dbraw/zinc/23/40/18/701234018.db2.gz OJBJWARMTSCCDH-GHMZBOCLSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140402 701234019 /nfs/dbraw/zinc/23/40/19/701234019.db2.gz OJBJWARMTSCCDH-GHMZBOCLSA-N 1 1 306.366 1.650 20 5 DDBDMO COc1ccc(C(=O)OCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000771871616 701334985 /nfs/dbraw/zinc/33/49/85/701334985.db2.gz GIUISVPUYURVCL-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO Cc1ccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000839605675 701752172 /nfs/dbraw/zinc/75/21/72/701752172.db2.gz YTLBMLLLEOTEMF-OAGGEKHMSA-N 1 1 317.389 1.913 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839700089 701789597 /nfs/dbraw/zinc/78/95/97/701789597.db2.gz JIUGHIHINDJBTI-SLBVQIDZSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839700089 701789598 /nfs/dbraw/zinc/78/95/98/701789598.db2.gz JIUGHIHINDJBTI-SLBVQIDZSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839700089 701789602 /nfs/dbraw/zinc/78/96/02/701789602.db2.gz JIUGHIHINDJBTI-SLBVQIDZSA-N 1 1 317.389 1.821 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811781522 702057738 /nfs/dbraw/zinc/05/77/38/702057738.db2.gz DEBWTBAETGNFQA-AWEZNQCLSA-N 1 1 313.361 1.886 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000811781522 702057745 /nfs/dbraw/zinc/05/77/45/702057745.db2.gz DEBWTBAETGNFQA-AWEZNQCLSA-N 1 1 313.361 1.886 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205427 706648606 /nfs/dbraw/zinc/64/86/06/706648606.db2.gz LULDMJKBSFQFIX-STQMWFEESA-N 1 1 318.377 1.485 20 5 DDBDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322296 706649396 /nfs/dbraw/zinc/64/93/96/706649396.db2.gz JGCPUVOPSIPDPY-GXFFZTMASA-N 1 1 307.350 1.693 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000816952048 702235310 /nfs/dbraw/zinc/23/53/10/702235310.db2.gz BEMWUXMHGRUYJB-OQPBUACISA-N 1 1 308.313 1.092 20 5 DDBDMO Cc1ccc(CN(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000879355970 706659045 /nfs/dbraw/zinc/65/90/45/706659045.db2.gz TVFPEXZDAAMTNG-UHFFFAOYSA-N 1 1 320.393 1.109 20 5 DDBDMO O=[N+]([O-])c1ccccc1NCCc1noc(C[NH2+]C2CC2)n1 ZINC000843184693 702835762 /nfs/dbraw/zinc/83/57/62/702835762.db2.gz HNIJZDDCFRBPCS-UHFFFAOYSA-N 1 1 303.322 1.884 20 5 DDBDMO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347177 702863849 /nfs/dbraw/zinc/86/38/49/702863849.db2.gz BOFZFMKBLXRCEX-NSHDSACASA-N 1 1 324.356 1.733 20 5 DDBDMO C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362909 702866734 /nfs/dbraw/zinc/86/67/34/702866734.db2.gz UNHAUDYIRSHNQE-WDEREUQCSA-N 1 1 324.356 1.732 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C(N)=O)CCCC2)c1 ZINC000844308989 703010104 /nfs/dbraw/zinc/01/01/04/703010104.db2.gz WSDVFPFUTKAGGS-UHFFFAOYSA-N 1 1 321.333 1.269 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844450020 703033246 /nfs/dbraw/zinc/03/32/46/703033246.db2.gz NWFBTRQIDUAKNE-JTQLQIEISA-N 1 1 313.329 1.765 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000879571285 706722112 /nfs/dbraw/zinc/72/21/12/706722112.db2.gz OSLBIFPAFTZLEK-UONOGXRCSA-N 1 1 305.378 2.000 20 5 DDBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835473 703339544 /nfs/dbraw/zinc/33/95/44/703339544.db2.gz BNPNHWSHEGRTGA-DZGCQCFKSA-N 1 1 316.361 1.851 20 5 DDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000851820595 703864727 /nfs/dbraw/zinc/86/47/27/703864727.db2.gz CLMZBFSKFFXULW-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819718151 704163934 /nfs/dbraw/zinc/16/39/34/704163934.db2.gz RUTWXFMSQYHCAC-SMDDNHRTSA-N 1 1 304.350 1.343 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000853540715 704263587 /nfs/dbraw/zinc/26/35/87/704263587.db2.gz LBIPCGIBHSMMLO-SNVBAGLBSA-N 1 1 303.322 1.813 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000853965040 704341564 /nfs/dbraw/zinc/34/15/64/704341564.db2.gz CWTZKGAOCCEMDJ-CYBMUJFWSA-N 1 1 306.366 1.212 20 5 DDBDMO CC(C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCOCC1 ZINC000822317873 704915835 /nfs/dbraw/zinc/91/58/35/704915835.db2.gz UIEGDSBSRJUISC-CYBMUJFWSA-N 1 1 315.414 1.295 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000823269998 705189535 /nfs/dbraw/zinc/18/95/35/705189535.db2.gz MRSUJFRLPPVQHO-JTQLQIEISA-N 1 1 320.305 1.906 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839960 705195776 /nfs/dbraw/zinc/19/57/76/705195776.db2.gz YOHLHBPDTOZNQS-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839960 705195779 /nfs/dbraw/zinc/19/57/79/705195779.db2.gz YOHLHBPDTOZNQS-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839960 705195781 /nfs/dbraw/zinc/19/57/81/705195781.db2.gz YOHLHBPDTOZNQS-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823921354 705340130 /nfs/dbraw/zinc/34/01/30/705340130.db2.gz SYKUTGBXWHAQEH-LLVKDONJSA-N 1 1 307.354 1.783 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340623 705433497 /nfs/dbraw/zinc/43/34/97/705433497.db2.gz KGMBBXXQNQFZRZ-UKRRQHHQSA-N 1 1 308.334 1.861 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342995 705435000 /nfs/dbraw/zinc/43/50/00/705435000.db2.gz FZEDVKNEXREHRF-SMDDNHRTSA-N 1 1 311.338 1.199 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000861342992 705435143 /nfs/dbraw/zinc/43/51/43/705435143.db2.gz FZEDVKNEXREHRF-BXUZGUMPSA-N 1 1 311.338 1.199 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379942 705658679 /nfs/dbraw/zinc/65/86/79/705658679.db2.gz UECFAZGVPIEYPG-NHYWBVRUSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000863329198 705903328 /nfs/dbraw/zinc/90/33/28/705903328.db2.gz MHTGQTBMHZJBBG-SNVBAGLBSA-N 1 1 313.741 1.045 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252912 705960583 /nfs/dbraw/zinc/96/05/83/705960583.db2.gz ALTDZYPUZWNRQK-JQWIXIFHSA-N 1 1 319.365 1.198 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374737 705988950 /nfs/dbraw/zinc/98/89/50/705988950.db2.gz PPCLBPGGUZHLBR-KBPBESRZSA-N 1 1 303.362 1.690 20 5 DDBDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000877715429 706187162 /nfs/dbraw/zinc/18/71/62/706187162.db2.gz YTVXFFTZAHMPBG-OAHLLOKOSA-N 1 1 319.317 1.489 20 5 DDBDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000877715429 706187165 /nfs/dbraw/zinc/18/71/65/706187165.db2.gz YTVXFFTZAHMPBG-OAHLLOKOSA-N 1 1 319.317 1.489 20 5 DDBDMO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000877720995 706189469 /nfs/dbraw/zinc/18/94/69/706189469.db2.gz SAIHQTVBVVLTBQ-AOOOYVTPSA-N 1 1 323.736 1.295 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000877720995 706189471 /nfs/dbraw/zinc/18/94/71/706189471.db2.gz SAIHQTVBVVLTBQ-AOOOYVTPSA-N 1 1 323.736 1.295 20 5 DDBDMO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877817798 706223860 /nfs/dbraw/zinc/22/38/60/706223860.db2.gz AHNDVMZMKSNQHY-NSHDSACASA-N 1 1 310.354 1.494 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880318444 706939565 /nfs/dbraw/zinc/93/95/65/706939565.db2.gz ZEQFUSSTOJCZJY-CMPLNLGQSA-N 1 1 323.378 1.098 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000832779264 706982109 /nfs/dbraw/zinc/98/21/09/706982109.db2.gz XRTXKDJKJWBEET-RRFJBIMHSA-N 1 1 306.362 1.985 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000881762372 707357291 /nfs/dbraw/zinc/35/72/91/707357291.db2.gz YTERUBDDEYSBHB-LLVKDONJSA-N 1 1 310.329 1.430 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872271627 707358889 /nfs/dbraw/zinc/35/88/89/707358889.db2.gz TUFFVRFWRTWCJL-CHWSQXEVSA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872271627 707358895 /nfs/dbraw/zinc/35/88/95/707358895.db2.gz TUFFVRFWRTWCJL-CHWSQXEVSA-N 1 1 316.304 1.984 20 5 DDBDMO CC(C)(CCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[N+](=O)[O-] ZINC000837159805 707587037 /nfs/dbraw/zinc/58/70/37/707587037.db2.gz NSPYVXDGCICHKO-AWEZNQCLSA-N 1 1 305.378 1.995 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000882492887 707663267 /nfs/dbraw/zinc/66/32/67/707663267.db2.gz CPQYDFHWOJCGNZ-QLFBSQMISA-N 1 1 303.362 1.909 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882493750 707664551 /nfs/dbraw/zinc/66/45/51/707664551.db2.gz LFJMYHMAUWVNDM-SECBINFHSA-N 1 1 311.313 1.567 20 5 DDBDMO C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883376719 707987892 /nfs/dbraw/zinc/98/78/92/707987892.db2.gz RNUYAWIPJFMLQP-GUBZILKMSA-N 1 1 316.354 1.960 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897220527 708258676 /nfs/dbraw/zinc/25/86/76/708258676.db2.gz XCDXIFYUDIIXLQ-GJZGRUSLSA-N 1 1 309.341 1.769 20 5 DDBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886019398 708682358 /nfs/dbraw/zinc/68/23/58/708682358.db2.gz SQJZJIXTLDFVHI-KBPBESRZSA-N 1 1 321.377 1.742 20 5 DDBDMO O=C1CCCCN1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886040925 708687117 /nfs/dbraw/zinc/68/71/17/708687117.db2.gz HUHWSTCJGFFQSX-UHFFFAOYSA-N 1 1 318.377 1.967 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827923 708855259 /nfs/dbraw/zinc/85/52/59/708855259.db2.gz UFWDTHKRSMIRMS-HIFRSBDPSA-N 1 1 319.361 1.695 20 5 DDBDMO Cc1c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887939330 709173239 /nfs/dbraw/zinc/17/32/39/709173239.db2.gz ZSCJPYNHUAJGKM-WBMJQRKESA-N 1 1 303.362 1.927 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267541 709512443 /nfs/dbraw/zinc/51/24/43/709512443.db2.gz HQYHBQJVYCXDMH-ZBINZKHDSA-N 1 1 307.350 1.227 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900331140 709541829 /nfs/dbraw/zinc/54/18/29/709541829.db2.gz BUKMARVYYKJZJD-MRXNPFEDSA-N 1 1 321.377 1.100 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910288166 709868375 /nfs/dbraw/zinc/86/83/75/709868375.db2.gz NUBIMLHFIDMWIN-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457578 713205511 /nfs/dbraw/zinc/20/55/11/713205511.db2.gz XJIMFBWRCBCTSG-MWLCHTKSSA-N 1 1 323.349 1.434 20 5 DDBDMO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)cc([N+](=O)[O-])c1 ZINC000903209003 711066272 /nfs/dbraw/zinc/06/62/72/711066272.db2.gz DDHWHSWYRYJWII-VHSXEESVSA-N 1 1 311.338 1.662 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000928565979 713230701 /nfs/dbraw/zinc/23/07/01/713230701.db2.gz CHJDPHNZXUDFKO-ZDUSSCGKSA-N 1 1 318.377 1.629 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000928565979 713230703 /nfs/dbraw/zinc/23/07/03/713230703.db2.gz CHJDPHNZXUDFKO-ZDUSSCGKSA-N 1 1 318.377 1.629 20 5 DDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000895248477 711465145 /nfs/dbraw/zinc/46/51/45/711465145.db2.gz LYUYYPNWFLNRFB-CABZTGNLSA-N 1 1 313.789 1.689 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000895486818 711524915 /nfs/dbraw/zinc/52/49/15/711524915.db2.gz JMTWTBFIUKGBMF-AWEZNQCLSA-N 1 1 320.393 1.996 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895713018 711585522 /nfs/dbraw/zinc/58/55/22/711585522.db2.gz HOHMYRCYDFLTEO-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO CCOC(=O)Cc1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895769262 711601066 /nfs/dbraw/zinc/60/10/66/711601066.db2.gz PPXNQJDCLKOESK-GFCCVEGCSA-N 1 1 307.350 1.816 20 5 DDBDMO CC(C)(CCc1noc([C@H]2CCc3c[nH+]cn3C2)n1)[N+](=O)[O-] ZINC000896314121 711705416 /nfs/dbraw/zinc/70/54/16/711705416.db2.gz DCIZCYGSMWRRHO-JTQLQIEISA-N 1 1 305.338 1.984 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896554428 711749781 /nfs/dbraw/zinc/74/97/81/711749781.db2.gz FLPQDDBXTWJUFP-YGRLFVJLSA-N 1 1 324.356 1.098 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC23CC[NH+](CC2)C3)c1F ZINC000913634568 713273668 /nfs/dbraw/zinc/27/36/68/713273668.db2.gz VAVHFLLCQURGJC-UHFFFAOYSA-N 1 1 311.288 1.759 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000914325476 713378772 /nfs/dbraw/zinc/37/87/72/713378772.db2.gz LECWURGBXPVETF-BXUZGUMPSA-N 1 1 306.366 1.529 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000918395371 713541209 /nfs/dbraw/zinc/54/12/09/713541209.db2.gz PFGDKGPWFWTKKD-SNVBAGLBSA-N 1 1 308.294 1.327 20 5 DDBDMO Cc1cn(C)nc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987098 713729079 /nfs/dbraw/zinc/72/90/79/713729079.db2.gz JCBMSNREBKPVOM-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1cn(C)nc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987098 713729081 /nfs/dbraw/zinc/72/90/81/713729081.db2.gz JCBMSNREBKPVOM-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1cn(C)nc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987097 713729175 /nfs/dbraw/zinc/72/91/75/713729175.db2.gz JCBMSNREBKPVOM-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1cn(C)nc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987097 713729177 /nfs/dbraw/zinc/72/91/77/713729177.db2.gz JCBMSNREBKPVOM-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO C[N@H+]1CC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432745 714095882 /nfs/dbraw/zinc/09/58/82/714095882.db2.gz CAUAWBSBHZVATE-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432745 714095890 /nfs/dbraw/zinc/09/58/90/714095890.db2.gz CAUAWBSBHZVATE-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432745 714095892 /nfs/dbraw/zinc/09/58/92/714095892.db2.gz CAUAWBSBHZVATE-KGLIPLIRSA-N 1 1 305.378 1.857 20 5 DDBDMO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923386845 714337170 /nfs/dbraw/zinc/33/71/70/714337170.db2.gz KGYCYAZVJKMENV-IMJJTQAJSA-N 1 1 305.378 1.689 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)C[C@H]1CC(C)C ZINC000933251079 714546980 /nfs/dbraw/zinc/54/69/80/714546980.db2.gz JJVCDCSFNCSVHN-CQSZACIVSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933251079 714546981 /nfs/dbraw/zinc/54/69/81/714546981.db2.gz JJVCDCSFNCSVHN-CQSZACIVSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933251079 714546982 /nfs/dbraw/zinc/54/69/82/714546982.db2.gz JJVCDCSFNCSVHN-CQSZACIVSA-N 1 1 309.414 1.762 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC001164667330 719389123 /nfs/dbraw/zinc/38/91/23/719389123.db2.gz NVBGKOPMJYIDNC-UONOGXRCSA-N 1 1 315.333 1.057 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965231 722067555 /nfs/dbraw/zinc/06/75/55/722067555.db2.gz GNWUWJXYBGUICV-GASCZTMLSA-N 1 1 318.377 1.598 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063741 734368203 /nfs/dbraw/zinc/36/82/03/734368203.db2.gz KSBWPOAKKSSRDK-GFQSEFKGSA-N 1 1 323.780 1.742 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC001022064157 734369043 /nfs/dbraw/zinc/36/90/43/734369043.db2.gz YSNDLVZKMIXAQD-QKPAOTATSA-N 1 1 317.389 1.705 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105415330 741191147 /nfs/dbraw/zinc/19/11/47/741191147.db2.gz ONDKSDPKICTBFP-UHFFFAOYSA-N 1 1 323.397 1.225 20 5 DDBDMO CC1(C)CC(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000997772121 751269095 /nfs/dbraw/zinc/26/90/95/751269095.db2.gz LHEXSBGTNSQHHL-HUUCEWRRSA-N 1 1 323.437 1.916 20 5 DDBDMO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030385 762186741 /nfs/dbraw/zinc/18/67/41/762186741.db2.gz ZDLKVPIZLJANCO-UONOGXRCSA-N 1 1 315.414 1.249 20 5 DDBDMO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030385 762186746 /nfs/dbraw/zinc/18/67/46/762186746.db2.gz ZDLKVPIZLJANCO-UONOGXRCSA-N 1 1 315.414 1.249 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329371 766255030 /nfs/dbraw/zinc/25/50/30/766255030.db2.gz PMPRZXWUOCNROL-XHDPSFHLSA-N 1 1 312.341 1.941 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329371 766255033 /nfs/dbraw/zinc/25/50/33/766255033.db2.gz PMPRZXWUOCNROL-XHDPSFHLSA-N 1 1 312.341 1.941 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CC2CCCC2)CC1 ZINC001045437027 766305550 /nfs/dbraw/zinc/30/55/50/766305550.db2.gz ALSIEPNMHYUUSU-ZIAGYGMSSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001048812701 769929734 /nfs/dbraw/zinc/92/97/34/769929734.db2.gz NVFZHLVAURWAGD-LXTVHRRPSA-N 1 1 307.394 1.232 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001048812701 769929739 /nfs/dbraw/zinc/92/97/39/769929739.db2.gz NVFZHLVAURWAGD-LXTVHRRPSA-N 1 1 307.394 1.232 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001048812701 769929741 /nfs/dbraw/zinc/92/97/41/769929741.db2.gz NVFZHLVAURWAGD-LXTVHRRPSA-N 1 1 307.394 1.232 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134144705 770708212 /nfs/dbraw/zinc/70/82/12/770708212.db2.gz YIZCTTYTXSRZGD-LLVKDONJSA-N 1 1 314.345 1.764 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134144705 770708218 /nfs/dbraw/zinc/70/82/18/770708218.db2.gz YIZCTTYTXSRZGD-LLVKDONJSA-N 1 1 314.345 1.764 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001135505167 771539599 /nfs/dbraw/zinc/53/95/99/771539599.db2.gz ZDGPXCNKULJCIK-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001136342455 771942596 /nfs/dbraw/zinc/94/25/96/771942596.db2.gz RAUSYUYVGUBVAY-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO COCCN1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220670 777053477 /nfs/dbraw/zinc/05/34/77/777053477.db2.gz BTJQXFVHDRBTEV-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001173233656 777063678 /nfs/dbraw/zinc/06/36/78/777063678.db2.gz LOPBLJNHFZVCOA-ZLDLUXBVSA-N 1 1 303.362 1.594 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001173235931 777064725 /nfs/dbraw/zinc/06/47/25/777064725.db2.gz COELCGJQMNHIAM-BNOWGMLFSA-N 1 1 304.346 1.673 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001173235931 777064731 /nfs/dbraw/zinc/06/47/31/777064731.db2.gz COELCGJQMNHIAM-BNOWGMLFSA-N 1 1 304.346 1.673 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001178708146 779153854 /nfs/dbraw/zinc/15/38/54/779153854.db2.gz COMOHDHKCLMJRF-SNVBAGLBSA-N 1 1 309.370 1.340 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001117797909 780902137 /nfs/dbraw/zinc/90/21/37/780902137.db2.gz MZAQQTIFSNKMQN-SCDSUCTJSA-N 1 1 307.350 1.227 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001119659006 781552148 /nfs/dbraw/zinc/55/21/48/781552148.db2.gz IWGYPXYOBNRXLB-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)C=C1CCC1 ZINC001268527386 840390125 /nfs/dbraw/zinc/39/01/25/840390125.db2.gz GDHHUILLPXKEKD-IHWYPQMZSA-N 1 1 319.365 1.201 20 5 DDBDMO CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268792035 840813802 /nfs/dbraw/zinc/81/38/02/840813802.db2.gz UNCBZRDTERWWAM-TZMCWYRMSA-N 1 1 309.341 1.429 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)n1 ZINC001150120261 862098259 /nfs/dbraw/zinc/09/82/59/862098259.db2.gz UWVZJAYITBMNDV-OTYXRUKQSA-N 1 1 304.350 1.511 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001161177480 859978877 /nfs/dbraw/zinc/97/88/77/859978877.db2.gz PLGUGTBNDPHOKC-VIFPVBQESA-N 1 1 312.757 1.920 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCc2cncnc2)ncc1[N+](=O)[O-] ZINC001156573238 863157471 /nfs/dbraw/zinc/15/74/71/863157471.db2.gz DPWBOIDYJNBMDR-ONEGZZNKSA-N 1 1 300.322 1.924 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156628461 863209127 /nfs/dbraw/zinc/20/91/27/863209127.db2.gz UOTQDHZKTHWZGC-UHFFFAOYSA-N 1 1 323.316 1.176 20 5 DDBDMO CC(C)[C@](C)(Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(N)=O ZINC001156653162 863231523 /nfs/dbraw/zinc/23/15/23/863231523.db2.gz ZDSOBZNWQHSPJO-LFAOLKIESA-N 1 1 321.381 1.834 20 5 DDBDMO C[N@@H+](C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1)[C@H]1CCOC1 ZINC001158726765 864860607 /nfs/dbraw/zinc/86/06/07/864860607.db2.gz SYHIYCJPNIKKKD-VIFPVBQESA-N 1 1 312.757 1.553 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC001225483849 881863186 /nfs/dbraw/zinc/86/31/86/881863186.db2.gz KAXNZSKGNLBXLB-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO [NH3+]C[C@@]1(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CN2CCC1CC2 ZINC001160514842 865900681 /nfs/dbraw/zinc/90/06/81/865900681.db2.gz YSWMEIBQVGGACO-OAHLLOKOSA-N 1 1 316.365 1.306 20 5 DDBDMO COC(=O)C[C@@H](C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160534752 865920208 /nfs/dbraw/zinc/92/02/08/865920208.db2.gz YKNYEFPCUBNUJP-BRAIEQGRSA-N 1 1 308.338 1.886 20 5 DDBDMO CC(C)OCC(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001319982036 866415438 /nfs/dbraw/zinc/41/54/38/866415438.db2.gz YFYABMFFXJQGAU-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO CC(C)OCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001319982036 866415454 /nfs/dbraw/zinc/41/54/54/866415454.db2.gz YFYABMFFXJQGAU-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C3CCC2(CO)CC3)c1 ZINC001333318587 866630987 /nfs/dbraw/zinc/63/09/87/866630987.db2.gz IOYKJOZKPKCVQQ-UHFFFAOYSA-N 1 1 320.345 1.871 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C3CCC2(CO)CC3)c1 ZINC001333318587 866630996 /nfs/dbraw/zinc/63/09/96/866630996.db2.gz IOYKJOZKPKCVQQ-UHFFFAOYSA-N 1 1 320.345 1.871 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1NC1C[NH+](C(C)(C)C)C1 ZINC001162220594 867351660 /nfs/dbraw/zinc/35/16/60/867351660.db2.gz XRRIKNWZLHWRAO-UHFFFAOYSA-N 1 1 308.338 1.671 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@](O)(C3CC3)C1)OCCO2 ZINC001321356382 867525616 /nfs/dbraw/zinc/52/56/16/867525616.db2.gz FGHNWRITLOPFIH-INIZCTEOSA-N 1 1 320.345 1.713 20 5 DDBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2cccc([N+](=O)[O-])n2)C1 ZINC001163118139 868117226 /nfs/dbraw/zinc/11/72/26/868117226.db2.gz UJEJFDKNIQQDTD-LBPRGKRZSA-N 1 1 308.338 1.095 20 5 DDBDMO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001322504633 868210297 /nfs/dbraw/zinc/21/02/97/868210297.db2.gz BREDFHGCUVZWHW-GHMZBOCLSA-N 1 1 312.395 1.055 20 5 DDBDMO C[N@@H+]1CCCC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022414 868685222 /nfs/dbraw/zinc/68/52/22/868685222.db2.gz XYWIZRYWSFNJMA-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022414 868685229 /nfs/dbraw/zinc/68/52/29/868685229.db2.gz XYWIZRYWSFNJMA-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(F)F ZINC001164320058 869123407 /nfs/dbraw/zinc/12/34/07/869123407.db2.gz XABAFSZZAAAQBN-MRVPVSSYSA-N 1 1 303.225 1.071 20 5 DDBDMO C[N@@H+]1CCc2c(NCC(=O)N3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001164585286 869307373 /nfs/dbraw/zinc/30/73/73/869307373.db2.gz QOYLKKAKVOOACZ-UHFFFAOYSA-N 1 1 318.377 1.617 20 5 DDBDMO C[N@H+]1CCc2c(NCC(=O)N3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001164585286 869307382 /nfs/dbraw/zinc/30/73/82/869307382.db2.gz QOYLKKAKVOOACZ-UHFFFAOYSA-N 1 1 318.377 1.617 20 5 DDBDMO COc1nc(C)nc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001165261681 869474545 /nfs/dbraw/zinc/47/45/45/869474545.db2.gz RXMFCQKTEYPRGL-NSHDSACASA-N 1 1 309.370 1.846 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001317076036 870206773 /nfs/dbraw/zinc/20/67/73/870206773.db2.gz LIMVVEIMNPSBKN-SPVDZKOFSA-N 1 1 315.373 1.602 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC001339997591 870829593 /nfs/dbraw/zinc/82/95/93/870829593.db2.gz DRMXPZKIRXRUST-IVZWLZJFSA-N 1 1 303.322 1.883 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1Cl ZINC001308983840 871542953 /nfs/dbraw/zinc/54/29/53/871542953.db2.gz UYLYCMNRPSDHLG-NEPJUHHUSA-N 1 1 314.769 1.671 20 5 DDBDMO COc1c(C(=O)NC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC001347505043 874165740 /nfs/dbraw/zinc/16/57/40/874165740.db2.gz UYUPAOMQENGKBS-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001347981975 874328500 /nfs/dbraw/zinc/32/85/00/874328500.db2.gz CNYYNVPNIKGQBR-LBPRGKRZSA-N 1 1 308.338 1.209 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@@H]2C1 ZINC001348566012 874636455 /nfs/dbraw/zinc/63/64/55/874636455.db2.gz UGPXSQJVIQVLJA-UFGOTCBOSA-N 1 1 309.341 1.978 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@H](C)C1 ZINC001355391966 878532444 /nfs/dbraw/zinc/53/24/44/878532444.db2.gz NSEGMRIUYCCROB-CHWSQXEVSA-N 1 1 324.429 1.191 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1COCC[N@@H+]1CC[C@@H](OC)C1 ZINC001223107833 880833227 /nfs/dbraw/zinc/83/32/27/880833227.db2.gz OKXQYYHHFIFQNX-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COC(=O)N1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592157 896522140 /nfs/dbraw/zinc/52/21/40/896522140.db2.gz BUZGIAVKUPGXJF-OAHLLOKOSA-N 1 1 319.361 1.836 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001263676062 900668134 /nfs/dbraw/zinc/66/81/34/900668134.db2.gz FYMXXAPGPJEQQC-NWDGAFQWSA-N 1 1 322.413 1.384 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC001263980097 900853827 /nfs/dbraw/zinc/85/38/27/900853827.db2.gz NEVFFFPZJIZKOD-BHYNMZESSA-N 1 1 307.325 1.804 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295667510 529381675 /nfs/dbraw/zinc/38/16/75/529381675.db2.gz IWYBJCHZDZRHNW-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451437556 231095195 /nfs/dbraw/zinc/09/51/95/231095195.db2.gz LZVZYKAJNJGWHF-CYBMUJFWSA-N 1 1 302.277 1.676 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000295628502 529503814 /nfs/dbraw/zinc/50/38/14/529503814.db2.gz FRPFWRQAHCRYGM-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000295628502 529503817 /nfs/dbraw/zinc/50/38/17/529503817.db2.gz FRPFWRQAHCRYGM-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000295836666 529503973 /nfs/dbraw/zinc/50/39/73/529503973.db2.gz ZCRZEJZWPHYQBH-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551639 185303014 /nfs/dbraw/zinc/30/30/14/185303014.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551639 185303015 /nfs/dbraw/zinc/30/30/15/185303015.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551639 185303016 /nfs/dbraw/zinc/30/30/16/185303016.db2.gz NNRGUYRPHWFPJU-CHWSQXEVSA-N 1 1 308.382 1.171 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000181506018 199308235 /nfs/dbraw/zinc/30/82/35/199308235.db2.gz GWDLTOJGENCSQT-UHFFFAOYSA-N 1 1 321.333 1.538 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299536852 530062028 /nfs/dbraw/zinc/06/20/28/530062028.db2.gz UMPSGJMTUYRJJO-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294155092 282362648 /nfs/dbraw/zinc/36/26/48/282362648.db2.gz NRNGRPJOVWPALH-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294155092 282362649 /nfs/dbraw/zinc/36/26/49/282362649.db2.gz NRNGRPJOVWPALH-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294155092 282362651 /nfs/dbraw/zinc/36/26/51/282362651.db2.gz NRNGRPJOVWPALH-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279755241 215119246 /nfs/dbraw/zinc/11/92/46/215119246.db2.gz LUQYLYLCXHMVLE-RISCZKNCSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279816739 215172882 /nfs/dbraw/zinc/17/28/82/215172882.db2.gz QGCHQCSPVKMDHY-ZWNOBZJWSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279816739 215172886 /nfs/dbraw/zinc/17/28/86/215172886.db2.gz QGCHQCSPVKMDHY-ZWNOBZJWSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H]1NC(=O)N(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000459427956 233187251 /nfs/dbraw/zinc/18/72/51/233187251.db2.gz AMEBRLFUXHFBCT-NSHDSACASA-N 1 1 320.349 1.009 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000191854488 186264601 /nfs/dbraw/zinc/26/46/01/186264601.db2.gz VMXLUOKTKZIKBP-VXGBXAGGSA-N 1 1 321.381 1.368 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000617353010 363067180 /nfs/dbraw/zinc/06/71/80/363067180.db2.gz AOULUCJRNYPYKT-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000617353010 363067182 /nfs/dbraw/zinc/06/71/82/363067182.db2.gz AOULUCJRNYPYKT-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172296199 198072375 /nfs/dbraw/zinc/07/23/75/198072375.db2.gz XRYSFXZFDUGACY-CQSZACIVSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000172296199 198072377 /nfs/dbraw/zinc/07/23/77/198072377.db2.gz XRYSFXZFDUGACY-CQSZACIVSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072875153 191245896 /nfs/dbraw/zinc/24/58/96/191245896.db2.gz NLLPAKBRCSDUTE-SECBINFHSA-N 1 1 307.306 1.746 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072875153 191245897 /nfs/dbraw/zinc/24/58/97/191245897.db2.gz NLLPAKBRCSDUTE-SECBINFHSA-N 1 1 307.306 1.746 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000069502306 353164181 /nfs/dbraw/zinc/16/41/81/353164181.db2.gz NQAFUKCBSYIPOU-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000072829605 353218647 /nfs/dbraw/zinc/21/86/47/353218647.db2.gz LPDRYUVCIAXNGD-MRXNPFEDSA-N 1 1 319.361 1.576 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000072578248 353202852 /nfs/dbraw/zinc/20/28/52/353202852.db2.gz HAULTVOPEKZBFP-GXTWGEPZSA-N 1 1 305.338 1.317 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174299857 198316606 /nfs/dbraw/zinc/31/66/06/198316606.db2.gz LLXHPKQFPPDTPU-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174299857 198316608 /nfs/dbraw/zinc/31/66/08/198316608.db2.gz LLXHPKQFPPDTPU-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000074772860 353330136 /nfs/dbraw/zinc/33/01/36/353330136.db2.gz VNTPGYBODZQPHI-NSHDSACASA-N 1 1 306.370 1.135 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000074773273 353330334 /nfs/dbraw/zinc/33/03/34/353330334.db2.gz KSMRPBDVILPJOF-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000075061409 353345736 /nfs/dbraw/zinc/34/57/36/353345736.db2.gz SEXLDGIQFPNOHE-OLZOCXBDSA-N 1 1 318.377 1.627 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C[C@@H](C)O ZINC000174618371 198360792 /nfs/dbraw/zinc/36/07/92/198360792.db2.gz JAQKOEHUGGLUBW-GHMZBOCLSA-N 1 1 311.338 1.105 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C[C@@H](C)O ZINC000174618371 198360794 /nfs/dbraw/zinc/36/07/94/198360794.db2.gz JAQKOEHUGGLUBW-GHMZBOCLSA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268912 353409838 /nfs/dbraw/zinc/40/98/38/353409838.db2.gz CDPZOKCWRGVHBW-OUAUKWLOSA-N 1 1 308.386 1.745 20 5 DDBDMO CCC[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078686594 353529060 /nfs/dbraw/zinc/52/90/60/353529060.db2.gz VDDFLEVWAIONEE-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO CCC[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078686594 353529062 /nfs/dbraw/zinc/52/90/62/353529062.db2.gz VDDFLEVWAIONEE-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080435049 353607632 /nfs/dbraw/zinc/60/76/32/353607632.db2.gz ONPOENNRFKGIBB-LBPRGKRZSA-N 1 1 321.402 1.858 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265458 353763428 /nfs/dbraw/zinc/76/34/28/353763428.db2.gz RYROYRSNKPLISA-LBPRGKRZSA-N 1 1 322.365 1.372 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265458 353763431 /nfs/dbraw/zinc/76/34/31/353763431.db2.gz RYROYRSNKPLISA-LBPRGKRZSA-N 1 1 322.365 1.372 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280495755 354422762 /nfs/dbraw/zinc/42/27/62/354422762.db2.gz BQWITFKBOJJBGR-VXGBXAGGSA-N 1 1 308.334 1.715 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000314019994 354482787 /nfs/dbraw/zinc/48/27/87/354482787.db2.gz IQBPWBFJHJBIKM-SECBINFHSA-N 1 1 317.342 1.154 20 5 DDBDMO Nc1cc(N[C@H]2CCn3cc[nH+]c3C2)cc(CO)c1[N+](=O)[O-] ZINC000588022502 354894621 /nfs/dbraw/zinc/89/46/21/354894621.db2.gz XRMCVYLLJBSYFS-JTQLQIEISA-N 1 1 303.322 1.293 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863063 354944305 /nfs/dbraw/zinc/94/43/05/354944305.db2.gz OOFINFKFHLTVEX-ZIAGYGMSSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863059 354944476 /nfs/dbraw/zinc/94/44/76/354944476.db2.gz OOFINFKFHLTVEX-KBPBESRZSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000590012855 355041803 /nfs/dbraw/zinc/04/18/03/355041803.db2.gz ZWWMMEGCKZHOJH-QMTHXVAHSA-N 1 1 301.350 1.607 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000494623409 235062621 /nfs/dbraw/zinc/06/26/21/235062621.db2.gz ZBGUHCMTNDJBGU-JTQLQIEISA-N 1 1 303.322 1.916 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000494957212 235107434 /nfs/dbraw/zinc/10/74/34/235107434.db2.gz NSWXHYMFZIQFRE-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972412 355227412 /nfs/dbraw/zinc/22/74/12/355227412.db2.gz QUANIECLBTVHRC-XPKDYRNWSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000591054806 355238600 /nfs/dbraw/zinc/23/86/00/355238600.db2.gz DNSXFDCRCPXOCS-DOMZBBRYSA-N 1 1 310.350 1.039 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000591162387 355257511 /nfs/dbraw/zinc/25/75/11/355257511.db2.gz YRXCAKBZVIMSBX-QWHCGFSZSA-N 1 1 310.329 1.428 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC000592783658 355689264 /nfs/dbraw/zinc/68/92/64/355689264.db2.gz ORRVKJPMIIMMMB-ZWNOBZJWSA-N 1 1 304.350 1.215 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000593025527 355773336 /nfs/dbraw/zinc/77/33/36/355773336.db2.gz XGOVCLJFMLCZIF-VIFPVBQESA-N 1 1 304.306 1.955 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000593029173 355774275 /nfs/dbraw/zinc/77/42/75/355774275.db2.gz WGPZXEZSNRGWPK-GFCCVEGCSA-N 1 1 321.377 1.907 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000593036767 355776165 /nfs/dbraw/zinc/77/61/65/355776165.db2.gz SUBTUZVEOCSYGC-MFKMUULPSA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000593036767 355776167 /nfs/dbraw/zinc/77/61/67/355776167.db2.gz SUBTUZVEOCSYGC-MFKMUULPSA-N 1 1 308.334 1.727 20 5 DDBDMO CC[C@@H]1COC(C)(C)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056740 355782321 /nfs/dbraw/zinc/78/23/21/355782321.db2.gz OLCVDUASFLFFDJ-DGCLKSJQSA-N 1 1 312.370 1.042 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000594198108 356137157 /nfs/dbraw/zinc/13/71/57/356137157.db2.gz RXLMSIDMLHIFIY-VXGBXAGGSA-N 1 1 321.381 1.558 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594419787 356204769 /nfs/dbraw/zinc/20/47/69/356204769.db2.gz RLEVQTSVLOLULK-QWHCGFSZSA-N 1 1 318.377 1.924 20 5 DDBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595413432 356483954 /nfs/dbraw/zinc/48/39/54/356483954.db2.gz BNNJSTOAWCANTL-JIMOISOXSA-N 1 1 314.363 1.057 20 5 DDBDMO Cc1noc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000595370763 356468050 /nfs/dbraw/zinc/46/80/50/356468050.db2.gz JFLYPOQYSKVLTK-CYBMUJFWSA-N 1 1 323.397 1.103 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081527113 192283125 /nfs/dbraw/zinc/28/31/25/192283125.db2.gz GJYIRGOOYTWISN-NSHDSACASA-N 1 1 322.365 1.156 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595744234 356632649 /nfs/dbraw/zinc/63/26/49/356632649.db2.gz UUBOYUKBTWJOIP-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595755404 356637784 /nfs/dbraw/zinc/63/77/84/356637784.db2.gz ADXYPANMRDXJOW-BFQNTYOBSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(COC2)C1 ZINC000595833528 356669909 /nfs/dbraw/zinc/66/99/09/356669909.db2.gz MBNXMUSNLSYVIA-LLVKDONJSA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(COC2)C1 ZINC000595833528 356669914 /nfs/dbraw/zinc/66/99/14/356669914.db2.gz MBNXMUSNLSYVIA-LLVKDONJSA-N 1 1 305.334 1.644 20 5 DDBDMO CC12CC(C1)C[N@@H+]2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595916413 356703869 /nfs/dbraw/zinc/70/38/69/356703869.db2.gz SIIOJLZFUUZPID-UHFFFAOYSA-N 1 1 301.346 1.968 20 5 DDBDMO CC12CC(C1)C[N@H+]2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595916413 356703872 /nfs/dbraw/zinc/70/38/72/356703872.db2.gz SIIOJLZFUUZPID-UHFFFAOYSA-N 1 1 301.346 1.968 20 5 DDBDMO O=c1[nH]ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596079018 356764783 /nfs/dbraw/zinc/76/47/83/356764783.db2.gz ZEDDSIXNIWOHFW-LBPRGKRZSA-N 1 1 322.365 1.387 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596090558 356768963 /nfs/dbraw/zinc/76/89/63/356768963.db2.gz YEPQRXPOAGDTCC-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC(C[NH+]4CCOCC4)C3)nc2c1 ZINC000596239955 356828749 /nfs/dbraw/zinc/82/87/49/356828749.db2.gz QYFVHSCWFXTGPP-UHFFFAOYSA-N 1 1 317.349 1.240 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)n1C ZINC000596127453 356783440 /nfs/dbraw/zinc/78/34/40/356783440.db2.gz ZSBYSBJIIFKOKV-UHFFFAOYSA-N 1 1 318.337 1.105 20 5 DDBDMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596137024 356787448 /nfs/dbraw/zinc/78/74/48/356787448.db2.gz OCOUWMXJLSARGC-CMPLNLGQSA-N 1 1 306.366 1.613 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596265784 356838120 /nfs/dbraw/zinc/83/81/20/356838120.db2.gz MGLZUYXMSHMAET-GFCCVEGCSA-N 1 1 306.366 1.613 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268206 356838852 /nfs/dbraw/zinc/83/88/52/356838852.db2.gz HVUCNCLCANUBBY-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276905954 213166661 /nfs/dbraw/zinc/16/66/61/213166661.db2.gz PMXJPOIFQHZNMA-OKILXGFUSA-N 1 1 323.349 1.269 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596308683 356852769 /nfs/dbraw/zinc/85/27/69/356852769.db2.gz KNBSOLIQKJBBNJ-VIFPVBQESA-N 1 1 307.354 1.373 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924825 357384889 /nfs/dbraw/zinc/38/48/89/357384889.db2.gz LDARTJPONZYGMO-LBPRGKRZSA-N 1 1 323.397 1.479 20 5 DDBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598040097 357438908 /nfs/dbraw/zinc/43/89/08/357438908.db2.gz CHALXWZIIYPPOU-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000598649093 357670587 /nfs/dbraw/zinc/67/05/87/357670587.db2.gz VLVYQGHSLOKOAF-BXUZGUMPSA-N 1 1 322.361 1.832 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292357878 223018163 /nfs/dbraw/zinc/01/81/63/223018163.db2.gz VYFLCCZGTOQTFB-KRWDZBQOSA-N 1 1 317.389 2.000 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599623257 357996548 /nfs/dbraw/zinc/99/65/48/357996548.db2.gz KMXYOMUDULIMJP-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599623257 357996550 /nfs/dbraw/zinc/99/65/50/357996550.db2.gz KMXYOMUDULIMJP-IYBDPMFKSA-N 1 1 324.377 1.416 20 5 DDBDMO CCOc1ccc([C@@H](C)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600710234 358290619 /nfs/dbraw/zinc/29/06/19/358290619.db2.gz MUAJAHXTJXTOAZ-DGCLKSJQSA-N 1 1 309.366 1.633 20 5 DDBDMO CC(C)[C@H]1CNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600714202 358292026 /nfs/dbraw/zinc/29/20/26/358292026.db2.gz KEBJJMHVRBRURL-OAHLLOKOSA-N 1 1 320.393 1.853 20 5 DDBDMO CC(C)[C@H]1CNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600714202 358292030 /nfs/dbraw/zinc/29/20/30/358292030.db2.gz KEBJJMHVRBRURL-OAHLLOKOSA-N 1 1 320.393 1.853 20 5 DDBDMO C[C@@H]1COCCN1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601113555 358407781 /nfs/dbraw/zinc/40/77/81/358407781.db2.gz IDHABUDQEPOIBG-GFCCVEGCSA-N 1 1 316.361 1.698 20 5 DDBDMO CO[C@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCOC1 ZINC000601143242 358419025 /nfs/dbraw/zinc/41/90/25/358419025.db2.gz CHRHUHMTCZECPM-HNNXBMFYSA-N 1 1 303.318 1.782 20 5 DDBDMO CO[C@@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCOC1 ZINC000601143244 358419570 /nfs/dbraw/zinc/41/95/70/358419570.db2.gz CHRHUHMTCZECPM-OAHLLOKOSA-N 1 1 303.318 1.782 20 5 DDBDMO CC(C)NC(=O)[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601177113 358435704 /nfs/dbraw/zinc/43/57/04/358435704.db2.gz TYFXKBRMPKZHQX-JTQLQIEISA-N 1 1 302.334 1.890 20 5 DDBDMO Cc1cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])s1 ZINC000601466139 358565570 /nfs/dbraw/zinc/56/55/70/358565570.db2.gz ZDCXOLSWCSYEQF-UHFFFAOYSA-N 1 1 319.408 1.147 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777818 358691072 /nfs/dbraw/zinc/69/10/72/358691072.db2.gz LMZMPZYIYWHGGL-ZFWWWQNUSA-N 1 1 307.350 1.013 20 5 DDBDMO CCCC(=O)NC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602448947 358983963 /nfs/dbraw/zinc/98/39/63/358983963.db2.gz WRJRATCXAFDODK-UHFFFAOYSA-N 1 1 309.370 1.209 20 5 DDBDMO CC(C)(O)CN1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000602579916 359053389 /nfs/dbraw/zinc/05/33/89/359053389.db2.gz JVQZREQDXYHFCV-UHFFFAOYSA-N 1 1 321.421 1.962 20 5 DDBDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602598446 359063002 /nfs/dbraw/zinc/06/30/02/359063002.db2.gz ZCDJAQOOICFFHT-LBPRGKRZSA-N 1 1 324.381 1.740 20 5 DDBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602598446 359063006 /nfs/dbraw/zinc/06/30/06/359063006.db2.gz ZCDJAQOOICFFHT-LBPRGKRZSA-N 1 1 324.381 1.740 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602837809 359227535 /nfs/dbraw/zinc/22/75/35/359227535.db2.gz AAEUEOCDPILXJZ-ONGXEEELSA-N 1 1 322.287 1.345 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000602875344 359258251 /nfs/dbraw/zinc/25/82/51/359258251.db2.gz ZRSSMSQEZWKGPP-BETUJISGSA-N 1 1 308.382 1.171 20 5 DDBDMO COC(=O)C1C[C@H](C)[NH+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602917529 359293899 /nfs/dbraw/zinc/29/38/99/359293899.db2.gz LZNZIAUFJCVYAF-UWVGGRQHSA-N 1 1 310.354 1.490 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000602953291 359318585 /nfs/dbraw/zinc/31/85/85/359318585.db2.gz RYHVPARUNMUBBW-CYBMUJFWSA-N 1 1 321.381 1.524 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000603144130 359433467 /nfs/dbraw/zinc/43/34/67/359433467.db2.gz WLSCCRRUEASLDW-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n1 ZINC000603144130 359433471 /nfs/dbraw/zinc/43/34/71/359433471.db2.gz WLSCCRRUEASLDW-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000186821652 200017530 /nfs/dbraw/zinc/01/75/30/200017530.db2.gz CSBDKQXHIACPMV-UHFFFAOYSA-N 1 1 310.350 1.687 20 5 DDBDMO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000187833513 200162893 /nfs/dbraw/zinc/16/28/93/200162893.db2.gz UIOMHPVRAMROAO-GJZGRUSLSA-N 1 1 319.361 1.811 20 5 DDBDMO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000187833513 200162894 /nfs/dbraw/zinc/16/28/94/200162894.db2.gz UIOMHPVRAMROAO-GJZGRUSLSA-N 1 1 319.361 1.811 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000609044248 360258139 /nfs/dbraw/zinc/25/81/39/360258139.db2.gz AVRCRDKKWUHRNQ-UHFFFAOYSA-N 1 1 309.366 1.602 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292409448 223059152 /nfs/dbraw/zinc/05/91/52/223059152.db2.gz LYRKFBACEFYWAR-UBHSHLNASA-N 1 1 310.350 1.180 20 5 DDBDMO CC[N@@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611012115 360602993 /nfs/dbraw/zinc/60/29/93/360602993.db2.gz YNCFVNCHBWSCDH-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611087926 360619168 /nfs/dbraw/zinc/61/91/68/360619168.db2.gz SFWPNYGBYIRLSC-NSHDSACASA-N 1 1 309.370 1.079 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611087926 360619171 /nfs/dbraw/zinc/61/91/71/360619171.db2.gz SFWPNYGBYIRLSC-NSHDSACASA-N 1 1 309.370 1.079 20 5 DDBDMO C[C@H](O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611268107 360683987 /nfs/dbraw/zinc/68/39/87/360683987.db2.gz LZQWOKGNIMBGSW-NSHDSACASA-N 1 1 322.361 1.959 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)o1 ZINC000611276840 360688193 /nfs/dbraw/zinc/68/81/93/360688193.db2.gz UROBXVCADZQTHP-TXEJJXNPSA-N 1 1 318.329 1.782 20 5 DDBDMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000611408036 360713026 /nfs/dbraw/zinc/71/30/26/360713026.db2.gz GADOGLGGRQTVMG-LBPRGKRZSA-N 1 1 306.366 1.019 20 5 DDBDMO CN(CC(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000271930814 209332920 /nfs/dbraw/zinc/33/29/20/209332920.db2.gz VDLWYIJKCTUYTC-UHFFFAOYSA-N 1 1 318.377 1.409 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000612059419 360904462 /nfs/dbraw/zinc/90/44/62/360904462.db2.gz RSACOTZNVOHBFT-KBPBESRZSA-N 1 1 324.377 1.693 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000612589971 361075414 /nfs/dbraw/zinc/07/54/14/361075414.db2.gz FLKNFBMWDIWPML-QTLSWZBMSA-N 1 1 303.362 1.624 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000612589971 361075416 /nfs/dbraw/zinc/07/54/16/361075416.db2.gz FLKNFBMWDIWPML-QTLSWZBMSA-N 1 1 303.362 1.624 20 5 DDBDMO C[N@@H+](CCCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349917899 284105536 /nfs/dbraw/zinc/10/55/36/284105536.db2.gz BXCZAZSWPBNAOL-CQSZACIVSA-N 1 1 307.350 1.404 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264757883 204133990 /nfs/dbraw/zinc/13/39/90/204133990.db2.gz TYWZJGXZSHAIFF-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO CCN1CC[NH+](CCCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266214865 205188723 /nfs/dbraw/zinc/18/87/23/205188723.db2.gz OFFCZZUMUAQWKF-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284350126 217990537 /nfs/dbraw/zinc/99/05/37/217990537.db2.gz MFSPIUBWGDDFOX-SJKUQHEZSA-N 1 1 319.405 1.995 20 5 DDBDMO Cc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000284432076 218025338 /nfs/dbraw/zinc/02/53/38/218025338.db2.gz SBADETLVKFJRMB-ZIAGYGMSSA-N 1 1 307.394 1.790 20 5 DDBDMO C[N@@H+](CCCOC(=O)NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285182789 218323226 /nfs/dbraw/zinc/32/32/26/218323226.db2.gz BXHYDBGPJFJIOB-UHFFFAOYSA-N 1 1 324.337 1.264 20 5 DDBDMO Cc1ccc([C@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847711 207014665 /nfs/dbraw/zinc/01/46/65/207014665.db2.gz BQBWEFGGCYOTGC-DZGCQCFKSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1ccc([C@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847711 207014669 /nfs/dbraw/zinc/01/46/69/207014669.db2.gz BQBWEFGGCYOTGC-DZGCQCFKSA-N 1 1 306.410 1.800 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000119661289 195012009 /nfs/dbraw/zinc/01/20/09/195012009.db2.gz UPSUEYMETZPXJQ-JTQLQIEISA-N 1 1 307.354 1.075 20 5 DDBDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000120085697 195093052 /nfs/dbraw/zinc/09/30/52/195093052.db2.gz XVTPQQOKTXGMFA-AWEZNQCLSA-N 1 1 321.377 1.941 20 5 DDBDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000120085697 195093054 /nfs/dbraw/zinc/09/30/54/195093054.db2.gz XVTPQQOKTXGMFA-AWEZNQCLSA-N 1 1 321.377 1.941 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158881243 197308747 /nfs/dbraw/zinc/30/87/47/197308747.db2.gz FHQKHSPZYMQJET-AAEUAGOBSA-N 1 1 323.397 1.335 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CCOCC1 ZINC000352545779 285130787 /nfs/dbraw/zinc/13/07/87/285130787.db2.gz ZPSKAMRUMVQQHI-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC1CCOCC1 ZINC000352545779 285130788 /nfs/dbraw/zinc/13/07/88/285130788.db2.gz ZPSKAMRUMVQQHI-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000352551374 285134749 /nfs/dbraw/zinc/13/47/49/285134749.db2.gz XEDOHODEWAGPEN-LBPRGKRZSA-N 1 1 314.407 1.750 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000352551374 285134752 /nfs/dbraw/zinc/13/47/52/285134752.db2.gz XEDOHODEWAGPEN-LBPRGKRZSA-N 1 1 314.407 1.750 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000425003346 533092975 /nfs/dbraw/zinc/09/29/75/533092975.db2.gz SKVHLXDXTSOKRJ-UHFFFAOYSA-N 1 1 310.354 1.106 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H](C)O ZINC000156302869 197103010 /nfs/dbraw/zinc/10/30/10/197103010.db2.gz QCNAANTULNRZHO-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C2 ZINC000289730787 221184740 /nfs/dbraw/zinc/18/47/40/221184740.db2.gz GEIJVNDAKZHEDZ-LBPRGKRZSA-N 1 1 314.345 1.979 20 5 DDBDMO Cc1cnn([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000289843490 221264790 /nfs/dbraw/zinc/26/47/90/221264790.db2.gz KFXMEEWSOOKIJT-ZDUSSCGKSA-N 1 1 317.349 1.208 20 5 DDBDMO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414789839 224395160 /nfs/dbraw/zinc/39/51/60/224395160.db2.gz OTLBHYPXWCQDFL-CQSZACIVSA-N 1 1 305.378 1.782 20 5 DDBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc([S@](C)=O)cc1 ZINC000360211952 299615737 /nfs/dbraw/zinc/61/57/37/299615737.db2.gz HJUCOAFYFVMDQZ-MGUXCZDKSA-N 1 1 322.390 1.917 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000332238079 533418474 /nfs/dbraw/zinc/41/84/74/533418474.db2.gz HQWZMQHBXGCXIT-STQMWFEESA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000068410434 406641016 /nfs/dbraw/zinc/64/10/16/406641016.db2.gz FAVJCNWSSKMZCU-GFCCVEGCSA-N 1 1 323.397 1.480 20 5 DDBDMO CC(C)OC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665350 406884651 /nfs/dbraw/zinc/88/46/51/406884651.db2.gz ONFNCDJTVUTWMG-GFCCVEGCSA-N 1 1 322.365 1.818 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522635 407150932 /nfs/dbraw/zinc/15/09/32/407150932.db2.gz BPSBCYFCVHBNSC-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000090459269 407167159 /nfs/dbraw/zinc/16/71/59/407167159.db2.gz BJRFOMPVGFFEQN-CHWSQXEVSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000090459269 407167162 /nfs/dbraw/zinc/16/71/62/407167162.db2.gz BJRFOMPVGFFEQN-CHWSQXEVSA-N 1 1 319.361 1.578 20 5 DDBDMO COCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054353620 407183677 /nfs/dbraw/zinc/18/36/77/407183677.db2.gz KHZGPLAUPTUWGV-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000101957204 407318136 /nfs/dbraw/zinc/31/81/36/407318136.db2.gz CTUYVWJVQKKVQV-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123324008 407325725 /nfs/dbraw/zinc/32/57/25/407325725.db2.gz QWGILHCXAKEIEZ-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123565014 407333019 /nfs/dbraw/zinc/33/30/19/407333019.db2.gz GJSITHFXAWWXOF-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000124178933 407350687 /nfs/dbraw/zinc/35/06/87/407350687.db2.gz RXRFCYZXAHDQFT-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000105613126 407354204 /nfs/dbraw/zinc/35/42/04/407354204.db2.gz HESBUEOKACSPDG-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107891941 407381292 /nfs/dbraw/zinc/38/12/92/407381292.db2.gz LGVYELJWZIYYQS-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000111267803 407404499 /nfs/dbraw/zinc/40/44/99/407404499.db2.gz JLSMYSHONQUFFX-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCn1cccn1 ZINC000111283446 407405913 /nfs/dbraw/zinc/40/59/13/407405913.db2.gz NRFSZCOKPYTLLE-GFCCVEGCSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCn1cccn1 ZINC000111283446 407405914 /nfs/dbraw/zinc/40/59/14/407405914.db2.gz NRFSZCOKPYTLLE-GFCCVEGCSA-N 1 1 317.349 1.750 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCn1cccn1 ZINC000111282171 407405941 /nfs/dbraw/zinc/40/59/41/407405941.db2.gz SCVORBMEKJKNDW-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCn1cccn1 ZINC000111282171 407405942 /nfs/dbraw/zinc/40/59/42/407405942.db2.gz SCVORBMEKJKNDW-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265822724 407470371 /nfs/dbraw/zinc/47/03/71/407470371.db2.gz SFFZMFDQGPCZGC-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccsc1 ZINC000270978317 407448055 /nfs/dbraw/zinc/44/80/55/407448055.db2.gz ILIGBWHJUZJLIU-SECBINFHSA-N 1 1 309.351 1.412 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794797 407455155 /nfs/dbraw/zinc/45/51/55/407455155.db2.gz MYMBIOUOXNCPSH-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000128942255 407585072 /nfs/dbraw/zinc/58/50/72/407585072.db2.gz CVXOKHYUZUHOFG-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO CCc1nn(C)c(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000271138051 407533807 /nfs/dbraw/zinc/53/38/07/407533807.db2.gz ASNSDDYUILLNMV-UHFFFAOYSA-N 1 1 304.354 1.998 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272164036 407800588 /nfs/dbraw/zinc/80/05/88/407800588.db2.gz ZSCCFCXYDDADKB-STQMWFEESA-N 1 1 321.377 1.740 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000117293497 407823915 /nfs/dbraw/zinc/82/39/15/407823915.db2.gz WMEYFXIUJNNAIQ-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000117293497 407823917 /nfs/dbraw/zinc/82/39/17/407823917.db2.gz WMEYFXIUJNNAIQ-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153582331 407855049 /nfs/dbraw/zinc/85/50/49/407855049.db2.gz AZTAFLKBERKPEJ-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272544376 407974632 /nfs/dbraw/zinc/97/46/32/407974632.db2.gz CJDIWVPGXCXKDV-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268261565 407976929 /nfs/dbraw/zinc/97/69/29/407976929.db2.gz ZJLIJBMCKPXAKK-KWQFWETISA-N 1 1 307.354 1.093 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180754474 407915943 /nfs/dbraw/zinc/91/59/43/407915943.db2.gz JADLIZKSOJGVFY-LLVKDONJSA-N 1 1 322.365 1.018 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268151148 407916140 /nfs/dbraw/zinc/91/61/40/407916140.db2.gz UQUPASLZXMTSEW-NHYWBVRUSA-N 1 1 318.377 1.877 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153968168 407942889 /nfs/dbraw/zinc/94/28/89/407942889.db2.gz CZCZHRVSAJDLPB-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000153968278 407942918 /nfs/dbraw/zinc/94/29/18/407942918.db2.gz CZCZHRVSAJDLPB-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000272490064 407943162 /nfs/dbraw/zinc/94/31/62/407943162.db2.gz HCWQBHSFQVGWCV-GFCCVEGCSA-N 1 1 319.361 1.858 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135623963 408041163 /nfs/dbraw/zinc/04/11/63/408041163.db2.gz SKDOJDKOFOBHTP-UHFFFAOYSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135623963 408041172 /nfs/dbraw/zinc/04/11/72/408041172.db2.gz SKDOJDKOFOBHTP-UHFFFAOYSA-N 1 1 322.361 1.855 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136171045 408085861 /nfs/dbraw/zinc/08/58/61/408085861.db2.gz KNVDZKVPTDSYKV-SNPRPXQTSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189564110 408054245 /nfs/dbraw/zinc/05/42/45/408054245.db2.gz ICOIXYYZYNDWIM-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccs3)CC2)c1 ZINC000121362748 408192050 /nfs/dbraw/zinc/19/20/50/408192050.db2.gz UHDZYQXRFACKIV-UHFFFAOYSA-N 1 1 307.379 1.675 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000175976555 408255702 /nfs/dbraw/zinc/25/57/02/408255702.db2.gz SOPQTBKZVDYAAX-UHFFFAOYSA-N 1 1 324.381 1.362 20 5 DDBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000121395024 408199938 /nfs/dbraw/zinc/19/99/38/408199938.db2.gz OKVBGEVLKWAXRQ-LBPRGKRZSA-N 1 1 322.365 1.685 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155704697 408200701 /nfs/dbraw/zinc/20/07/01/408200701.db2.gz MXHDUIRISZNAAB-WFASDCNBSA-N 1 1 305.378 1.982 20 5 DDBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000121395179 408200782 /nfs/dbraw/zinc/20/07/82/408200782.db2.gz OKVBGEVLKWAXRQ-GFCCVEGCSA-N 1 1 322.365 1.685 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000190404558 408236100 /nfs/dbraw/zinc/23/61/00/408236100.db2.gz YCBSFIUNHOCDRG-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO COc1ccccc1C[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176229270 408317071 /nfs/dbraw/zinc/31/70/71/408317071.db2.gz CDWJYAVUAHLUCD-UHFFFAOYSA-N 1 1 320.349 1.294 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183184980 408347362 /nfs/dbraw/zinc/34/73/62/408347362.db2.gz AGRFETPLPRKKJK-DGCLKSJQSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000183184980 408347370 /nfs/dbraw/zinc/34/73/70/408347370.db2.gz AGRFETPLPRKKJK-DGCLKSJQSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202319 408352148 /nfs/dbraw/zinc/35/21/48/408352148.db2.gz UVHSEDUHHAFEIX-WDEREUQCSA-N 1 1 308.334 1.664 20 5 DDBDMO C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268351 408441909 /nfs/dbraw/zinc/44/19/09/408441909.db2.gz KGDKJGXCIKJHIH-BXUZGUMPSA-N 1 1 315.333 1.493 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268351 408441914 /nfs/dbraw/zinc/44/19/14/408441914.db2.gz KGDKJGXCIKJHIH-BXUZGUMPSA-N 1 1 315.333 1.493 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(COC)CC1 ZINC000270351686 408498430 /nfs/dbraw/zinc/49/84/30/408498430.db2.gz HWWICLFEDYGTTB-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCN(C)C)CC1 ZINC000264466134 408501937 /nfs/dbraw/zinc/50/19/37/408501937.db2.gz LTOQTOIDIXUMRV-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cc1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000269913049 408466623 /nfs/dbraw/zinc/46/66/23/408466623.db2.gz IRUXMTHNEDNLKR-ZDUSSCGKSA-N 1 1 306.366 1.655 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247447304 408472011 /nfs/dbraw/zinc/47/20/11/408472011.db2.gz SLOBQXYPNJDLHK-ZYHUDNBSSA-N 1 1 323.397 1.729 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177162558 408539603 /nfs/dbraw/zinc/53/96/03/408539603.db2.gz GXZLDTRBHQKFAE-KOLCDFICSA-N 1 1 304.350 1.653 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000249054420 408680109 /nfs/dbraw/zinc/68/01/09/408680109.db2.gz LGBLTSUGWVIAHP-ZIAGYGMSSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000249054420 408680115 /nfs/dbraw/zinc/68/01/15/408680115.db2.gz LGBLTSUGWVIAHP-ZIAGYGMSSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249083760 408685407 /nfs/dbraw/zinc/68/54/07/408685407.db2.gz HZYXTACCUJKJDT-UWVGGRQHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249083760 408685411 /nfs/dbraw/zinc/68/54/11/408685411.db2.gz HZYXTACCUJKJDT-UWVGGRQHSA-N 1 1 313.379 1.183 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270825155 408696568 /nfs/dbraw/zinc/69/65/68/408696568.db2.gz BVTCILMYXHEHCC-HNNXBMFYSA-N 1 1 303.362 1.834 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000275859660 408698300 /nfs/dbraw/zinc/69/83/00/408698300.db2.gz MHZIOHSSZSFEQG-NNUKFRKNSA-N 1 1 321.377 1.793 20 5 DDBDMO O=c1c2ccccc2n(CCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000291713978 408910355 /nfs/dbraw/zinc/91/03/55/408910355.db2.gz VXBPCPXZZSBZMU-UHFFFAOYSA-N 1 1 317.345 1.632 20 5 DDBDMO CSc1cccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192519469 163224850 /nfs/dbraw/zinc/22/48/50/163224850.db2.gz HJMUDQYVRABBNY-PHIMTYICSA-N 1 1 321.402 1.950 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277456014 408943856 /nfs/dbraw/zinc/94/38/56/408943856.db2.gz GORMHWORVGJFFC-NSHDSACASA-N 1 1 307.354 1.373 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000281952716 408959324 /nfs/dbraw/zinc/95/93/24/408959324.db2.gz FQKFDWBHJKQAIU-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286354490 408969199 /nfs/dbraw/zinc/96/91/99/408969199.db2.gz HDLPMRFJPWHFKW-JTQLQIEISA-N 1 1 308.338 1.037 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292111182 408981914 /nfs/dbraw/zinc/98/19/14/408981914.db2.gz FVUZRMLNNBOQGI-INIZCTEOSA-N 1 1 319.361 1.528 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CCc1cnc[nH]1 ZINC000282347604 409037741 /nfs/dbraw/zinc/03/77/41/409037741.db2.gz AIWCWKMXOKBDPF-UHFFFAOYSA-N 1 1 302.334 1.952 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278156566 409074653 /nfs/dbraw/zinc/07/46/53/409074653.db2.gz AACLIJJOPTYDTL-NSHDSACASA-N 1 1 304.354 1.129 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278156566 409074655 /nfs/dbraw/zinc/07/46/55/409074655.db2.gz AACLIJJOPTYDTL-NSHDSACASA-N 1 1 304.354 1.129 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278156566 409074656 /nfs/dbraw/zinc/07/46/56/409074656.db2.gz AACLIJJOPTYDTL-NSHDSACASA-N 1 1 304.354 1.129 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+](C)C1CC1 ZINC000279311300 409190155 /nfs/dbraw/zinc/19/01/55/409190155.db2.gz AVQBEAIVROXNKN-MRVPVSSYSA-N 1 1 310.329 1.529 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630259 409150312 /nfs/dbraw/zinc/15/03/12/409150312.db2.gz FFMLYUQYNHSFAH-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630259 409150315 /nfs/dbraw/zinc/15/03/15/409150315.db2.gz FFMLYUQYNHSFAH-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630259 409150317 /nfs/dbraw/zinc/15/03/17/409150317.db2.gz FFMLYUQYNHSFAH-HNNXBMFYSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)[N@@H+](CCN1CCNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000290181484 409314911 /nfs/dbraw/zinc/31/49/11/409314911.db2.gz FJIQYIBXOIZEKT-UHFFFAOYSA-N 1 1 306.366 1.830 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccccc1 ZINC000285492508 409465749 /nfs/dbraw/zinc/46/57/49/409465749.db2.gz AMVVQRPHEXNCQG-SMDDNHRTSA-N 1 1 315.333 1.493 20 5 DDBDMO COc1cc(C[N@@H+](C)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352426197 164119963 /nfs/dbraw/zinc/11/99/63/164119963.db2.gz RPVMLPWOTBGIRH-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000374827258 164173962 /nfs/dbraw/zinc/17/39/62/164173962.db2.gz HKVNDYGROYBMIK-UHFFFAOYSA-N 1 1 322.340 1.626 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408114603 164232528 /nfs/dbraw/zinc/23/25/28/164232528.db2.gz YGBGQZVWPBUQLB-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408114603 164232529 /nfs/dbraw/zinc/23/25/29/164232529.db2.gz YGBGQZVWPBUQLB-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO CCOC1CC2(C1)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000285575439 409494284 /nfs/dbraw/zinc/49/42/84/409494284.db2.gz UTAMFORJZHXKHC-UHFFFAOYSA-N 1 1 321.377 1.648 20 5 DDBDMO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1CCO ZINC000302911998 409519796 /nfs/dbraw/zinc/51/97/96/409519796.db2.gz ZXANZSKTZSLSBQ-NSHDSACASA-N 1 1 306.366 1.066 20 5 DDBDMO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1CCO ZINC000302911998 409519801 /nfs/dbraw/zinc/51/98/01/409519801.db2.gz ZXANZSKTZSLSBQ-NSHDSACASA-N 1 1 306.366 1.066 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000304380557 409617931 /nfs/dbraw/zinc/61/79/31/409617931.db2.gz YGJBCMSHOCRDPS-LSDHHAIUSA-N 1 1 308.382 1.807 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348946814 409603210 /nfs/dbraw/zinc/60/32/10/409603210.db2.gz HLNCJNFAGKKWQM-HUUCEWRRSA-N 1 1 324.381 1.043 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342474121 409664515 /nfs/dbraw/zinc/66/45/15/409664515.db2.gz NKYCPKNBIQTKAA-OTYXRUKQSA-N 1 1 307.325 1.946 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000346689213 410085747 /nfs/dbraw/zinc/08/57/47/410085747.db2.gz PRGSEHPLZGKLQR-GFCCVEGCSA-N 1 1 311.357 1.622 20 5 DDBDMO Cc1cccc(NCCNc2nccc(C(N)=O)c2[N+](=O)[O-])[nH+]1 ZINC000357494390 410067304 /nfs/dbraw/zinc/06/73/04/410067304.db2.gz XGQQBBKPLYWPAV-UHFFFAOYSA-N 1 1 316.321 1.316 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000346695006 410090182 /nfs/dbraw/zinc/09/01/82/410090182.db2.gz XRTIGVQTGIDDNE-MFKMUULPSA-N 1 1 308.334 1.987 20 5 DDBDMO CCNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000339320341 410091348 /nfs/dbraw/zinc/09/13/48/410091348.db2.gz XEAXOAMTGIJMJH-AWEZNQCLSA-N 1 1 309.366 1.854 20 5 DDBDMO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339335943 410103098 /nfs/dbraw/zinc/10/30/98/410103098.db2.gz KZRKFLOZAOBYCW-MELADBBJSA-N 1 1 324.377 1.752 20 5 DDBDMO CC[N@@H+]1CC[C@@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393609 410155100 /nfs/dbraw/zinc/15/51/00/410155100.db2.gz KQKNBXFHDKXJQD-HOTGVXAUSA-N 1 1 321.377 1.595 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393609 410155109 /nfs/dbraw/zinc/15/51/09/410155109.db2.gz KQKNBXFHDKXJQD-HOTGVXAUSA-N 1 1 321.377 1.595 20 5 DDBDMO CC(C)[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000343206878 410236534 /nfs/dbraw/zinc/23/65/34/410236534.db2.gz OOKWTTDBELCMQW-ZDUSSCGKSA-N 1 1 306.366 1.470 20 5 DDBDMO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343440389 410454161 /nfs/dbraw/zinc/45/41/61/410454161.db2.gz NWTSFKVDJLDUCF-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343440389 410454164 /nfs/dbraw/zinc/45/41/64/410454164.db2.gz NWTSFKVDJLDUCF-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3cccs3)CC2)n1 ZINC000358273833 410427829 /nfs/dbraw/zinc/42/78/29/410427829.db2.gz LJWYUNNWEDJEAI-UHFFFAOYSA-N 1 1 321.406 1.671 20 5 DDBDMO C[C@H]1[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343427195 410442517 /nfs/dbraw/zinc/44/25/17/410442517.db2.gz DQVDDGJGHLUTHY-CMPLNLGQSA-N 1 1 309.370 1.125 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000299095441 410519146 /nfs/dbraw/zinc/51/91/46/410519146.db2.gz KKHRHEBXUSDUAU-FVQBIDKESA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000299095441 410519150 /nfs/dbraw/zinc/51/91/50/410519150.db2.gz KKHRHEBXUSDUAU-FVQBIDKESA-N 1 1 322.361 1.588 20 5 DDBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000301097635 410656673 /nfs/dbraw/zinc/65/66/73/410656673.db2.gz QDRJLFLVUUDYKZ-ZDUSSCGKSA-N 1 1 308.386 1.069 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000301309227 410695067 /nfs/dbraw/zinc/69/50/67/410695067.db2.gz XHLYPROGQZVDKQ-AWEZNQCLSA-N 1 1 322.384 1.950 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359519093 410706157 /nfs/dbraw/zinc/70/61/57/410706157.db2.gz QVMRSNAXQAYQHG-LBPRGKRZSA-N 1 1 308.382 1.880 20 5 DDBDMO Cc1ccnc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301246526 410683620 /nfs/dbraw/zinc/68/36/20/410683620.db2.gz ATDQRLAEXBCXIA-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1nc(N2CCC[N@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301668844 410765365 /nfs/dbraw/zinc/76/53/65/410765365.db2.gz POYRNNCERYFHJV-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343888467 410782331 /nfs/dbraw/zinc/78/23/31/410782331.db2.gz XHMUSFURKHDQQD-HNNXBMFYSA-N 1 1 308.334 1.483 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330577757 410795755 /nfs/dbraw/zinc/79/57/55/410795755.db2.gz HBNUTEZEANYGQL-QWHCGFSZSA-N 1 1 320.393 1.866 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301921818 410831078 /nfs/dbraw/zinc/83/10/78/410831078.db2.gz DQRQDLFDNHJLDP-UHFFFAOYSA-N 1 1 321.424 1.812 20 5 DDBDMO COc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935488 410833127 /nfs/dbraw/zinc/83/31/27/410833127.db2.gz RLDRMVVBQWTPIS-LKFCYVNXSA-N 1 1 313.329 1.874 20 5 DDBDMO COc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935488 410833132 /nfs/dbraw/zinc/83/31/32/410833132.db2.gz RLDRMVVBQWTPIS-LKFCYVNXSA-N 1 1 313.329 1.874 20 5 DDBDMO CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000330602318 410818953 /nfs/dbraw/zinc/81/89/53/410818953.db2.gz FHKOUZBNQXMHOU-TZMCWYRMSA-N 1 1 323.393 1.577 20 5 DDBDMO CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000330602318 410818961 /nfs/dbraw/zinc/81/89/61/410818961.db2.gz FHKOUZBNQXMHOU-TZMCWYRMSA-N 1 1 323.393 1.577 20 5 DDBDMO Cn1nccc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348368012 410939001 /nfs/dbraw/zinc/93/90/01/410939001.db2.gz KLWHFGVICXGMKG-CYBMUJFWSA-N 1 1 320.349 1.200 20 5 DDBDMO Cn1nccc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000348368012 410939009 /nfs/dbraw/zinc/93/90/09/410939009.db2.gz KLWHFGVICXGMKG-CYBMUJFWSA-N 1 1 320.349 1.200 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000353490957 411027928 /nfs/dbraw/zinc/02/79/28/411027928.db2.gz LOKGZRXUJWUTON-MNOVXSKESA-N 1 1 321.381 1.517 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000358038654 299054480 /nfs/dbraw/zinc/05/44/80/299054480.db2.gz BONMIRGURBLDBF-OAHLLOKOSA-N 1 1 319.317 1.137 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366295038 418452813 /nfs/dbraw/zinc/45/28/13/418452813.db2.gz PTQVWUVAGRYZJA-SMDDNHRTSA-N 1 1 304.350 1.546 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000373737045 418454353 /nfs/dbraw/zinc/45/43/53/418454353.db2.gz FMRWXBWBEOBUHG-NWANDNLSSA-N 1 1 303.362 1.989 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373929504 418474249 /nfs/dbraw/zinc/47/42/49/418474249.db2.gz ORJPRKPDEMNBOV-QWHCGFSZSA-N 1 1 319.361 1.717 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375038641 418593622 /nfs/dbraw/zinc/59/36/22/418593622.db2.gz MAZJASZGVMQJJD-IUODEOHRSA-N 1 1 319.361 1.526 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000375502218 418651626 /nfs/dbraw/zinc/65/16/26/418651626.db2.gz RFOYOUUEHFERSA-ZDUSSCGKSA-N 1 1 323.393 1.492 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000367840326 418644316 /nfs/dbraw/zinc/64/43/16/418644316.db2.gz QDSKXAXHFFTWHW-MNOVXSKESA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]12 ZINC000367840326 418644319 /nfs/dbraw/zinc/64/43/19/418644319.db2.gz QDSKXAXHFFTWHW-MNOVXSKESA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361308678 418622277 /nfs/dbraw/zinc/62/22/77/418622277.db2.gz DYLLQWYWBLULBO-HNNXBMFYSA-N 1 1 318.377 1.627 20 5 DDBDMO Cc1sc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367995245 418671310 /nfs/dbraw/zinc/67/13/10/418671310.db2.gz YKCWIXJCELIHKB-QMMMGPOBSA-N 1 1 305.306 1.644 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]12 ZINC000368063936 418682517 /nfs/dbraw/zinc/68/25/17/418682517.db2.gz OSKDVYXRDQEYCF-PWSUYJOCSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]12 ZINC000368063936 418682519 /nfs/dbraw/zinc/68/25/19/418682519.db2.gz OSKDVYXRDQEYCF-PWSUYJOCSA-N 1 1 309.753 1.816 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361586106 418687652 /nfs/dbraw/zinc/68/76/52/418687652.db2.gz LCDRNXUQOOIHQK-SMDDNHRTSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361586106 418687654 /nfs/dbraw/zinc/68/76/54/418687654.db2.gz LCDRNXUQOOIHQK-SMDDNHRTSA-N 1 1 310.350 1.575 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849877 418738077 /nfs/dbraw/zinc/73/80/77/418738077.db2.gz XKTKIJCYDLWFLX-CHWSQXEVSA-N 1 1 307.350 1.287 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371099097 418762026 /nfs/dbraw/zinc/76/20/26/418762026.db2.gz JQZHCGHNHAKMDL-GFCCVEGCSA-N 1 1 310.350 1.951 20 5 DDBDMO COc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364954102 418827838 /nfs/dbraw/zinc/82/78/38/418827838.db2.gz JLGDKYDOJOHHQG-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000364961222 418828414 /nfs/dbraw/zinc/82/84/14/418828414.db2.gz YAOHNDLEYFUKHU-MFKMUULPSA-N 1 1 319.390 2.551 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000365655248 418889987 /nfs/dbraw/zinc/88/99/87/418889987.db2.gz IHTQXHIZRLQKBK-RDJPRVRMSA-N 1 1 301.346 1.676 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411420301 418903179 /nfs/dbraw/zinc/90/31/79/418903179.db2.gz JIUDIBBQMPHMIF-WDEREUQCSA-N 1 1 323.349 1.387 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929417 419362513 /nfs/dbraw/zinc/36/25/13/419362513.db2.gz BJNRJJAFFNBGPT-MCIONIFRSA-N 1 1 324.377 1.285 20 5 DDBDMO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+]1C ZINC000420994084 419427508 /nfs/dbraw/zinc/42/75/08/419427508.db2.gz BTMPYLSTAUMNRJ-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420994084 419427519 /nfs/dbraw/zinc/42/75/19/419427519.db2.gz BTMPYLSTAUMNRJ-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420994084 419427525 /nfs/dbraw/zinc/42/75/25/419427525.db2.gz BTMPYLSTAUMNRJ-OAHLLOKOSA-N 1 1 320.393 1.949 20 5 DDBDMO O=[N+]([O-])c1cnn(Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000421211812 419525938 /nfs/dbraw/zinc/52/59/38/419525938.db2.gz ISRUFNFDWWNIQQ-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000421767439 419718868 /nfs/dbraw/zinc/71/88/68/419718868.db2.gz KYZKXQXXISVROT-UHFFFAOYSA-N 1 1 323.418 1.990 20 5 DDBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000415030494 419917781 /nfs/dbraw/zinc/91/77/81/419917781.db2.gz CMKSRSCDGLUONV-HIFRSBDPSA-N 1 1 307.394 1.884 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2c(N)cccc2[N+](=O)[O-])[nH+]1 ZINC000354556314 306779228 /nfs/dbraw/zinc/77/92/28/306779228.db2.gz UIADFCZGEGEBIO-UHFFFAOYSA-N 1 1 315.333 1.722 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005576 419961573 /nfs/dbraw/zinc/96/15/73/419961573.db2.gz MNMRJNRJCPYETF-JHJVBQTASA-N 1 1 307.398 1.490 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)n1 ZINC000418994793 420042258 /nfs/dbraw/zinc/04/22/58/420042258.db2.gz IEJFYMGDEXZMRF-OLZOCXBDSA-N 1 1 308.382 1.498 20 5 DDBDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000420324823 420210946 /nfs/dbraw/zinc/21/09/46/420210946.db2.gz BCNVERRSGCYPSH-WFASDCNBSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000420324823 420210950 /nfs/dbraw/zinc/21/09/50/420210950.db2.gz BCNVERRSGCYPSH-WFASDCNBSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378154 420248792 /nfs/dbraw/zinc/24/87/92/420248792.db2.gz WXEKLIDPMMSVTP-HSMVNMDESA-N 1 1 320.393 1.900 20 5 DDBDMO CN(C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433124555 420249360 /nfs/dbraw/zinc/24/93/60/420249360.db2.gz DFUFHWRUKBKWQV-DOMZBBRYSA-N 1 1 307.394 1.829 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000433747632 420253965 /nfs/dbraw/zinc/25/39/65/420253965.db2.gz GKIPYPPXVQLXGL-UHFFFAOYSA-N 1 1 311.386 1.903 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416289727 420308954 /nfs/dbraw/zinc/30/89/54/420308954.db2.gz FVYPLCBYYBZAGA-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416289727 420308958 /nfs/dbraw/zinc/30/89/58/420308958.db2.gz FVYPLCBYYBZAGA-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000416296423 420311928 /nfs/dbraw/zinc/31/19/28/420311928.db2.gz NVKSLGUSTQTOLW-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416496928 420394604 /nfs/dbraw/zinc/39/46/04/420394604.db2.gz RJGVDSLQRXMUDW-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@H+]1CCO ZINC000302378942 230227077 /nfs/dbraw/zinc/22/70/77/230227077.db2.gz GFOQDYAOEUPNJG-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000446082132 230230662 /nfs/dbraw/zinc/23/06/62/230230662.db2.gz OPSKCYWUFPYRPF-BHPKHCPMSA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000446082132 230230666 /nfs/dbraw/zinc/23/06/66/230230666.db2.gz OPSKCYWUFPYRPF-BHPKHCPMSA-N 1 1 324.377 1.832 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000493157644 420771930 /nfs/dbraw/zinc/77/19/30/420771930.db2.gz OLPNVXGBMRMFLU-CUCMZFDFSA-N 1 1 301.346 1.771 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)o1 ZINC000459712818 420854862 /nfs/dbraw/zinc/85/48/62/420854862.db2.gz RTXHBDLSVLIVMA-IAQYHMDHSA-N 1 1 318.329 1.640 20 5 DDBDMO CCN1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1=O ZINC000449515625 421018720 /nfs/dbraw/zinc/01/87/20/421018720.db2.gz AJVAUVGFMAMHFS-LLVKDONJSA-N 1 1 323.349 1.322 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488753105 421111851 /nfs/dbraw/zinc/11/18/51/421111851.db2.gz QHDPAOIMYJIDDM-VXGBXAGGSA-N 1 1 310.350 1.685 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450334040 421184789 /nfs/dbraw/zinc/18/47/89/421184789.db2.gz HNSWZBZZPPIRDK-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450334040 421184795 /nfs/dbraw/zinc/18/47/95/421184795.db2.gz HNSWZBZZPPIRDK-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450334040 421184798 /nfs/dbraw/zinc/18/47/98/421184798.db2.gz HNSWZBZZPPIRDK-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000546105718 421284073 /nfs/dbraw/zinc/28/40/73/421284073.db2.gz XFKWRXBLJKMOBS-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(C)CO ZINC000546105718 421284076 /nfs/dbraw/zinc/28/40/76/421284076.db2.gz XFKWRXBLJKMOBS-HNNXBMFYSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000549189194 421495596 /nfs/dbraw/zinc/49/55/96/421495596.db2.gz BEUGNSLVFWJYBU-MNOVXSKESA-N 1 1 321.381 1.701 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000553319372 421611507 /nfs/dbraw/zinc/61/15/07/421611507.db2.gz HRIDKLDPXNBZDY-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000553319372 421611510 /nfs/dbraw/zinc/61/15/10/421611510.db2.gz HRIDKLDPXNBZDY-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000554597365 421653714 /nfs/dbraw/zinc/65/37/14/421653714.db2.gz DYDQYZILULHJMH-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO O=C1C[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960198 421874036 /nfs/dbraw/zinc/87/40/36/421874036.db2.gz HCNHCLOGAZDERY-AAEUAGOBSA-N 1 1 303.318 1.189 20 5 DDBDMO O=C1C[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960198 421874042 /nfs/dbraw/zinc/87/40/42/421874042.db2.gz HCNHCLOGAZDERY-AAEUAGOBSA-N 1 1 303.318 1.189 20 5 DDBDMO O=C(CC[N@@H+]1CCn2nncc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000581140363 421907826 /nfs/dbraw/zinc/90/78/26/421907826.db2.gz LRZQRKZISLUFAO-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(CC[N@H+]1CCn2nncc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000581140363 421907832 /nfs/dbraw/zinc/90/78/32/421907832.db2.gz LRZQRKZISLUFAO-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO CC(C)Oc1nc(NCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000573338086 421948192 /nfs/dbraw/zinc/94/81/92/421948192.db2.gz CMCRVWVNVALTQY-UHFFFAOYSA-N 1 1 305.338 2.165 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000573742129 422009421 /nfs/dbraw/zinc/00/94/21/422009421.db2.gz UWVLAKBGDLPPAD-GFCCVEGCSA-N 1 1 319.361 1.658 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000574982698 422227197 /nfs/dbraw/zinc/22/71/97/422227197.db2.gz HVIOKZCMDZKOCE-CQSZACIVSA-N 1 1 309.366 1.148 20 5 DDBDMO COC(=O)c1ccnc(NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000590579096 422320616 /nfs/dbraw/zinc/32/06/16/422320616.db2.gz XYOWZBQFUMWNTD-UHFFFAOYSA-N 1 1 319.321 1.784 20 5 DDBDMO NC(=O)c1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000342060456 271286472 /nfs/dbraw/zinc/28/64/72/271286472.db2.gz AXUFJGJJPWLCHH-SNVBAGLBSA-N 1 1 315.333 1.801 20 5 DDBDMO NC(=O)c1cccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000342060451 271286602 /nfs/dbraw/zinc/28/66/02/271286602.db2.gz AXUFJGJJPWLCHH-JTQLQIEISA-N 1 1 315.333 1.801 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344414492 272019232 /nfs/dbraw/zinc/01/92/32/272019232.db2.gz AVDLWQIOGHIUDB-GWCFXTLKSA-N 1 1 320.349 1.132 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345449489 272254257 /nfs/dbraw/zinc/25/42/57/272254257.db2.gz AUHRVGDZHWFGRF-GFCCVEGCSA-N 1 1 308.382 1.928 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408102230 274334079 /nfs/dbraw/zinc/33/40/79/274334079.db2.gz BYOHAAPZWDSVHM-SECBINFHSA-N 1 1 303.322 1.384 20 5 DDBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450796050 274369668 /nfs/dbraw/zinc/36/96/68/274369668.db2.gz QBTNXMLVEXLXRC-AOOOYVTPSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450796050 274369669 /nfs/dbraw/zinc/36/96/69/274369669.db2.gz QBTNXMLVEXLXRC-AOOOYVTPSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155086193 274485949 /nfs/dbraw/zinc/48/59/49/274485949.db2.gz RENGXNFUOGPKPP-ZIAGYGMSSA-N 1 1 306.410 1.881 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000185444711 276132813 /nfs/dbraw/zinc/13/28/13/276132813.db2.gz KXPNXIKEPFUDBJ-UHFFFAOYSA-N 1 1 324.381 1.647 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451932799 276342876 /nfs/dbraw/zinc/34/28/76/276342876.db2.gz DPSQZDNGHCJCKN-LERXQTSPSA-N 1 1 323.349 1.315 20 5 DDBDMO CN1CCNC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522048 277116928 /nfs/dbraw/zinc/11/69/28/277116928.db2.gz RENADVVNARJTTA-XJKSGUPXSA-N 1 1 318.421 1.810 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182689149 288092852 /nfs/dbraw/zinc/09/28/52/288092852.db2.gz CNIDEYGKRCTDMW-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182689149 288092856 /nfs/dbraw/zinc/09/28/56/288092856.db2.gz CNIDEYGKRCTDMW-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284576040 290169708 /nfs/dbraw/zinc/16/97/08/290169708.db2.gz OUVMIJWTABCKFZ-RYUDHWBXSA-N 1 1 312.757 1.553 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354011361 298338408 /nfs/dbraw/zinc/33/84/08/298338408.db2.gz ZQSLJQRFUFYQMJ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000354205241 298363148 /nfs/dbraw/zinc/36/31/48/298363148.db2.gz QVVHZJYVJUNCGR-ZJUUUORDSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000354205241 298363150 /nfs/dbraw/zinc/36/31/50/298363150.db2.gz QVVHZJYVJUNCGR-ZJUUUORDSA-N 1 1 321.333 1.992 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363053466 300204383 /nfs/dbraw/zinc/20/43/83/300204383.db2.gz LBUZUQZNJMDXED-HNNXBMFYSA-N 1 1 303.362 1.834 20 5 DDBDMO COc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000368688239 301075228 /nfs/dbraw/zinc/07/52/28/301075228.db2.gz NQIQNYIGILDBSQ-LLVKDONJSA-N 1 1 302.334 1.974 20 5 DDBDMO Cc1cccc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368976310 301115390 /nfs/dbraw/zinc/11/53/90/301115390.db2.gz VKUPXPBBCQWQOT-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC000369981747 301251427 /nfs/dbraw/zinc/25/14/27/301251427.db2.gz CYMBKKKSLFGHQJ-GWCFXTLKSA-N 1 1 319.365 1.128 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000370631125 301374477 /nfs/dbraw/zinc/37/44/77/301374477.db2.gz LJODJUCHDSAZEA-OAHLLOKOSA-N 1 1 305.334 1.315 20 5 DDBDMO CNC(=O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873575 301398989 /nfs/dbraw/zinc/39/89/89/301398989.db2.gz RUWJZCAVBYCYAX-UHFFFAOYSA-N 1 1 304.350 1.321 20 5 DDBDMO CNC(=O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370873575 301398990 /nfs/dbraw/zinc/39/89/90/301398990.db2.gz RUWJZCAVBYCYAX-UHFFFAOYSA-N 1 1 304.350 1.321 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869456 302007856 /nfs/dbraw/zinc/00/78/56/302007856.db2.gz AGBULJABLODGJF-CHWSQXEVSA-N 1 1 307.398 1.777 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928225 302122575 /nfs/dbraw/zinc/12/25/75/302122575.db2.gz YXJKCTPKUCRFLJ-KWCYVHTRSA-N 1 1 321.381 1.686 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140712 303276538 /nfs/dbraw/zinc/27/65/38/303276538.db2.gz RZPWBCMYSSKWNN-VXGBXAGGSA-N 1 1 306.366 1.840 20 5 DDBDMO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361603192 307000691 /nfs/dbraw/zinc/00/06/91/307000691.db2.gz PNOOVVLSUHBWQV-HNNXBMFYSA-N 1 1 302.334 1.476 20 5 DDBDMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361603192 307000692 /nfs/dbraw/zinc/00/06/92/307000692.db2.gz PNOOVVLSUHBWQV-HNNXBMFYSA-N 1 1 302.334 1.476 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073896 307012824 /nfs/dbraw/zinc/01/28/24/307012824.db2.gz AHQVSVJMRYQPRD-GRYCIOLGSA-N 1 1 307.350 1.482 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073896 307012825 /nfs/dbraw/zinc/01/28/25/307012825.db2.gz AHQVSVJMRYQPRD-GRYCIOLGSA-N 1 1 307.350 1.482 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000367456781 307094556 /nfs/dbraw/zinc/09/45/56/307094556.db2.gz CUTNCKHFIMSVJN-HNNXBMFYSA-N 1 1 305.334 1.449 20 5 DDBDMO CCCCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693587 307127011 /nfs/dbraw/zinc/12/70/11/307127011.db2.gz UHGJWTLLSVPEGI-UHFFFAOYSA-N 1 1 309.370 1.345 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000371277312 307146370 /nfs/dbraw/zinc/14/63/70/307146370.db2.gz IOUNPRDBBAKCEV-GJZGRUSLSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000371277312 307146371 /nfs/dbraw/zinc/14/63/71/307146371.db2.gz IOUNPRDBBAKCEV-GJZGRUSLSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000377563982 307273156 /nfs/dbraw/zinc/27/31/56/307273156.db2.gz MPBPAHGGKBMDTR-NSHDSACASA-N 1 1 314.292 1.072 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC000427252855 307302939 /nfs/dbraw/zinc/30/29/39/307302939.db2.gz ZBACYSYQQBXXMY-NWDGAFQWSA-N 1 1 323.397 1.804 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000573917143 308255549 /nfs/dbraw/zinc/25/55/49/308255549.db2.gz LWLAYIZBVOPKQS-RNCFNFMXSA-N 1 1 308.313 1.902 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000576479986 308317959 /nfs/dbraw/zinc/31/79/59/308317959.db2.gz JNVXJSQBJHMXLE-SNVBAGLBSA-N 1 1 303.746 1.111 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000451190032 534065842 /nfs/dbraw/zinc/06/58/42/534065842.db2.gz GAGVCMGOYWDJDX-JTQLQIEISA-N 1 1 311.313 1.976 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000452391876 534317903 /nfs/dbraw/zinc/31/79/03/534317903.db2.gz QQDXVDVQXUWGKZ-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299391971 529014738 /nfs/dbraw/zinc/01/47/38/529014738.db2.gz RTAMYRHOPVVQDK-NSHDSACASA-N 1 1 321.381 1.621 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824860761 608196995 /nfs/dbraw/zinc/19/69/95/608196995.db2.gz XSOQJIDPFURYPR-UWVGGRQHSA-N 1 1 317.353 1.304 20 5 DDBDMO COCC[N@H+](CCc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746051526 700003606 /nfs/dbraw/zinc/00/36/06/700003606.db2.gz MQYCEWFYSCOUFA-UHFFFAOYSA-N 1 1 304.350 1.940 20 5 DDBDMO COCC[N@@H+](CCc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746051526 700003608 /nfs/dbraw/zinc/00/36/08/700003608.db2.gz MQYCEWFYSCOUFA-UHFFFAOYSA-N 1 1 304.350 1.940 20 5 DDBDMO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000106857669 696628275 /nfs/dbraw/zinc/62/82/75/696628275.db2.gz IYKBSVNIDDGUFR-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000106857669 696628276 /nfs/dbraw/zinc/62/82/76/696628276.db2.gz IYKBSVNIDDGUFR-ZDUSSCGKSA-N 1 1 303.322 1.532 20 5 DDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119852768 696686801 /nfs/dbraw/zinc/68/68/01/696686801.db2.gz CQMMIGWDIMHIJL-VIFPVBQESA-N 1 1 319.408 1.371 20 5 DDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119852768 696686802 /nfs/dbraw/zinc/68/68/02/696686802.db2.gz CQMMIGWDIMHIJL-VIFPVBQESA-N 1 1 319.408 1.371 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC000981764128 696907481 /nfs/dbraw/zinc/90/74/81/696907481.db2.gz NNMVCUKBWWYBLT-DNDCWNJCSA-N 1 1 313.785 1.329 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000776585049 698122143 /nfs/dbraw/zinc/12/21/43/698122143.db2.gz RQPJJGMQMHEHPO-LSDHHAIUSA-N 1 1 310.350 1.102 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857803 698144187 /nfs/dbraw/zinc/14/41/87/698144187.db2.gz NCGWNULFYVHVQS-FZMZJTMJSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857803 698144189 /nfs/dbraw/zinc/14/41/89/698144189.db2.gz NCGWNULFYVHVQS-FZMZJTMJSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000779219833 698403116 /nfs/dbraw/zinc/40/31/16/698403116.db2.gz LMTUFKRUSGXXKP-SECBINFHSA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000779219833 698403120 /nfs/dbraw/zinc/40/31/20/698403120.db2.gz LMTUFKRUSGXXKP-SECBINFHSA-N 1 1 307.306 1.100 20 5 DDBDMO Cc1nn(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000779864603 698476422 /nfs/dbraw/zinc/47/64/22/698476422.db2.gz ZYTVBQBTEYSKNI-AWEZNQCLSA-N 1 1 307.398 1.721 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000750880724 700253761 /nfs/dbraw/zinc/25/37/61/700253761.db2.gz SFURQGQLBZGQLN-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO Cc1cc(C(=O)OCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000750884481 700254385 /nfs/dbraw/zinc/25/43/85/700254385.db2.gz RGQPSSQARHLLJA-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO COCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000782960568 698789214 /nfs/dbraw/zinc/78/92/14/698789214.db2.gz HDQOBSMGQTVDRZ-AWEZNQCLSA-N 1 1 320.349 1.639 20 5 DDBDMO COCC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000782960568 698789217 /nfs/dbraw/zinc/78/92/17/698789217.db2.gz HDQOBSMGQTVDRZ-AWEZNQCLSA-N 1 1 320.349 1.639 20 5 DDBDMO Nc1c(F)c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801488 699102621 /nfs/dbraw/zinc/10/26/21/699102621.db2.gz RENPUGLXZAKPHK-ZJUUUORDSA-N 1 1 310.329 1.591 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791255960 699617777 /nfs/dbraw/zinc/61/77/77/699617777.db2.gz AWMIERYDCUSQTN-JSGCOSHPSA-N 1 1 322.340 1.435 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000801986910 700362325 /nfs/dbraw/zinc/36/23/25/700362325.db2.gz YFMJHTTXHMMZHD-NWDGAFQWSA-N 1 1 302.277 1.942 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000801986910 700362328 /nfs/dbraw/zinc/36/23/28/700362328.db2.gz YFMJHTTXHMMZHD-NWDGAFQWSA-N 1 1 302.277 1.942 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753951470 700471024 /nfs/dbraw/zinc/47/10/24/700471024.db2.gz VJGYJYQEDOVFNI-CQSZACIVSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753951470 700471025 /nfs/dbraw/zinc/47/10/25/700471025.db2.gz VJGYJYQEDOVFNI-CQSZACIVSA-N 1 1 308.334 1.861 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000756519254 700625411 /nfs/dbraw/zinc/62/54/11/700625411.db2.gz HVNLLUPRCPSXLW-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)C3CC3)n2)c1 ZINC000763062120 700923212 /nfs/dbraw/zinc/92/32/12/700923212.db2.gz AHFGGBHVXAQUEV-LBPRGKRZSA-N 1 1 304.306 1.505 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000770474582 701279543 /nfs/dbraw/zinc/27/95/43/701279543.db2.gz BOTKENIWKLUAQB-QWRGUYRKSA-N 1 1 305.338 1.374 20 5 DDBDMO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000770474582 701279544 /nfs/dbraw/zinc/27/95/44/701279544.db2.gz BOTKENIWKLUAQB-QWRGUYRKSA-N 1 1 305.338 1.374 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCCCO)CC1 ZINC000807985877 701493222 /nfs/dbraw/zinc/49/32/22/701493222.db2.gz OYIAVETULSFNMX-UHFFFAOYSA-N 1 1 321.377 1.692 20 5 DDBDMO O=C(CC[N@H+]1CCOC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000839531490 701726994 /nfs/dbraw/zinc/72/69/94/701726994.db2.gz DOSOYNSKEZDEON-LBPRGKRZSA-N 1 1 323.349 1.007 20 5 DDBDMO O=C(CC[N@@H+]1CCOC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000839531490 701726999 /nfs/dbraw/zinc/72/69/99/701726999.db2.gz DOSOYNSKEZDEON-LBPRGKRZSA-N 1 1 323.349 1.007 20 5 DDBDMO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000839621513 701756626 /nfs/dbraw/zinc/75/66/26/701756626.db2.gz AWEGIPOKBNRLKE-JHJVBQTASA-N 1 1 307.350 1.506 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839636459 701761834 /nfs/dbraw/zinc/76/18/34/701761834.db2.gz SJTBTCKHEMACLK-TZMCWYRMSA-N 1 1 307.350 1.038 20 5 DDBDMO COC(=O)[C@]1(C)CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000839665959 701772908 /nfs/dbraw/zinc/77/29/08/701772908.db2.gz JJUMYRBMWKJWQP-GOEBONIOSA-N 1 1 322.361 1.903 20 5 DDBDMO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+](C)C ZINC000839761219 701814743 /nfs/dbraw/zinc/81/47/43/701814743.db2.gz LYPMYJQNMIXRSA-NMFUWQPSSA-N 1 1 305.378 1.768 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866112513 706621818 /nfs/dbraw/zinc/62/18/18/706621818.db2.gz DQPFZUXYYMRTBD-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO C[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCC1(C)C ZINC000866113044 706621933 /nfs/dbraw/zinc/62/19/33/706621933.db2.gz PXWYYIABSTUHIF-UHFFFAOYSA-N 1 1 308.382 1.590 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816648798 702135687 /nfs/dbraw/zinc/13/56/87/702135687.db2.gz PKBBDSZNQRQBQE-WDEREUQCSA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816648798 702135690 /nfs/dbraw/zinc/13/56/90/702135690.db2.gz PKBBDSZNQRQBQE-WDEREUQCSA-N 1 1 308.334 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c(F)c1 ZINC000840965313 702295985 /nfs/dbraw/zinc/29/59/85/702295985.db2.gz DDYHEBOEDCAILV-UHFFFAOYSA-N 1 1 302.327 1.401 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000842047200 702663595 /nfs/dbraw/zinc/66/35/95/702663595.db2.gz MISZGXMZKAQFID-RYUDHWBXSA-N 1 1 319.365 1.134 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000842163527 702678683 /nfs/dbraw/zinc/67/86/83/702678683.db2.gz PEVFRQXIONNIRI-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000844018430 702955824 /nfs/dbraw/zinc/95/58/24/702955824.db2.gz KKWWRYBWYGUKEZ-TXEJJXNPSA-N 1 1 324.381 1.115 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000844018430 702955825 /nfs/dbraw/zinc/95/58/25/702955825.db2.gz KKWWRYBWYGUKEZ-TXEJJXNPSA-N 1 1 324.381 1.115 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOC(F)F)C2)nc1 ZINC000851843642 703868666 /nfs/dbraw/zinc/86/86/66/703868666.db2.gz JYYLMWVDCQTHCH-SECBINFHSA-N 1 1 302.281 1.715 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000818585726 703931436 /nfs/dbraw/zinc/93/14/36/703931436.db2.gz NSCHDZWIMICSSO-SNVBAGLBSA-N 1 1 319.695 1.927 20 5 DDBDMO C[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000818966596 704036853 /nfs/dbraw/zinc/03/68/53/704036853.db2.gz LMSBEZJZEFIANQ-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000818969311 704037528 /nfs/dbraw/zinc/03/75/28/704037528.db2.gz CPQYEHDJLBDYND-MFKMUULPSA-N 1 1 317.349 1.517 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000819155068 704077599 /nfs/dbraw/zinc/07/75/99/704077599.db2.gz OKXGSMGTSRQLQO-DOMZBBRYSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000819337786 704109589 /nfs/dbraw/zinc/10/95/89/704109589.db2.gz PHCQPLBIQNUYBF-NWDGAFQWSA-N 1 1 318.333 1.266 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000870896149 704160883 /nfs/dbraw/zinc/16/08/83/704160883.db2.gz QVAFANUXCFBHJU-VNHYZAJKSA-N 1 1 305.334 1.159 20 5 DDBDMO CN(c1ccccc1)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853585515 704276082 /nfs/dbraw/zinc/27/60/82/704276082.db2.gz QHZQGIOCMHCEEW-AWEZNQCLSA-N 1 1 301.350 1.960 20 5 DDBDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853585515 704276085 /nfs/dbraw/zinc/27/60/85/704276085.db2.gz QHZQGIOCMHCEEW-AWEZNQCLSA-N 1 1 301.350 1.960 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000854739264 704446256 /nfs/dbraw/zinc/44/62/56/704446256.db2.gz SGIYKZOOFZDKNG-OAHLLOKOSA-N 1 1 319.365 1.130 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000855362979 704481046 /nfs/dbraw/zinc/48/10/46/704481046.db2.gz QORNKHPKFMUFNV-NSHDSACASA-N 1 1 322.321 1.669 20 5 DDBDMO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000855485767 704487325 /nfs/dbraw/zinc/48/73/25/704487325.db2.gz HDAFOBVEPBZZAU-LSDHHAIUSA-N 1 1 321.377 1.571 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179359 705163336 /nfs/dbraw/zinc/16/33/36/705163336.db2.gz MBSPJRJIJYEQHA-JKSUJKDBSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179359 705163337 /nfs/dbraw/zinc/16/33/37/705163337.db2.gz MBSPJRJIJYEQHA-JKSUJKDBSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823179359 705163339 /nfs/dbraw/zinc/16/33/39/705163339.db2.gz MBSPJRJIJYEQHA-JKSUJKDBSA-N 1 1 307.394 1.900 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837364 705194163 /nfs/dbraw/zinc/19/41/63/705194163.db2.gz IGUMGLORBWHUKB-CHWSQXEVSA-N 1 1 321.381 1.222 20 5 DDBDMO Cc1[nH+]cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000824497925 705465619 /nfs/dbraw/zinc/46/56/19/705465619.db2.gz UFAMWEKLVYPTJF-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118401 705603986 /nfs/dbraw/zinc/60/39/86/705603986.db2.gz SMTZNJCTSZGBEJ-KFWWJZLASA-N 1 1 319.361 1.371 20 5 DDBDMO O=[N+]([O-])c1cnn(Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000863370293 705914194 /nfs/dbraw/zinc/91/41/94/705914194.db2.gz AKUFQYAKXRSWMC-UHFFFAOYSA-N 1 1 303.322 1.067 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000827269311 705964922 /nfs/dbraw/zinc/96/49/22/705964922.db2.gz WQWOONNHLACERH-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881772863 707361688 /nfs/dbraw/zinc/36/16/88/707361688.db2.gz DSLIHNPTYBZJIG-NSHDSACASA-N 1 1 312.345 1.898 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@@H+]2CCO)nc2ccccn21 ZINC000828461293 706184329 /nfs/dbraw/zinc/18/43/29/706184329.db2.gz RINPJDQMMKUOJL-GFCCVEGCSA-N 1 1 319.365 1.501 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000865688550 706497758 /nfs/dbraw/zinc/49/77/58/706497758.db2.gz GNZIFZDWCVJUIQ-SNVBAGLBSA-N 1 1 306.297 1.850 20 5 DDBDMO C[C@@H](NCC[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078884 707288521 /nfs/dbraw/zinc/28/85/21/707288521.db2.gz UACHEWDQYLIHRK-LLVKDONJSA-N 1 1 311.357 1.841 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)C1 ZINC000881985495 707455030 /nfs/dbraw/zinc/45/50/30/707455030.db2.gz NRVAJDSPWWLDDP-LBPRGKRZSA-N 1 1 323.372 1.345 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779586 707596683 /nfs/dbraw/zinc/59/66/83/707596683.db2.gz GTERTWXKJNRIIW-ZIAGYGMSSA-N 1 1 306.366 1.342 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000882485346 707655757 /nfs/dbraw/zinc/65/57/57/707655757.db2.gz HNSZBBPQTVHMKM-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)n1 ZINC000882540611 707688285 /nfs/dbraw/zinc/68/82/85/707688285.db2.gz UHUVSQIUHBADNK-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)n1 ZINC000882540610 707688788 /nfs/dbraw/zinc/68/87/88/707688788.db2.gz UHUVSQIUHBADNK-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1ccc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251848 707785997 /nfs/dbraw/zinc/78/59/97/707785997.db2.gz LVJODEQCTFBPRN-HZPDHXFCSA-N 1 1 305.378 1.760 20 5 DDBDMO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839463372 708049261 /nfs/dbraw/zinc/04/92/61/708049261.db2.gz OKRPWTBLJHUPAR-KFWWJZLASA-N 1 1 303.362 1.605 20 5 DDBDMO O=C(C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000885928626 708665013 /nfs/dbraw/zinc/66/50/13/708665013.db2.gz CMTJPAYCBAKOHW-UHFFFAOYSA-N 1 1 318.377 1.824 20 5 DDBDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000886433800 708760317 /nfs/dbraw/zinc/76/03/17/708760317.db2.gz UXPBEQRZQBPZRZ-OAHLLOKOSA-N 1 1 304.350 1.765 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593165 708785672 /nfs/dbraw/zinc/78/56/72/708785672.db2.gz JTLGLSOFOVPAGF-LBPRGKRZSA-N 1 1 323.397 1.439 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593165 708785675 /nfs/dbraw/zinc/78/56/75/708785675.db2.gz JTLGLSOFOVPAGF-LBPRGKRZSA-N 1 1 323.397 1.439 20 5 DDBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+](C)CC1 ZINC000888983432 709421564 /nfs/dbraw/zinc/42/15/64/709421564.db2.gz AYMBCVFINSMXRM-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+](C)CC1 ZINC000888983432 709421566 /nfs/dbraw/zinc/42/15/66/709421566.db2.gz AYMBCVFINSMXRM-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO Cn1c(C(=O)NC(C)(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000912954185 713134448 /nfs/dbraw/zinc/13/44/48/713134448.db2.gz IMABRMVLTVAHFF-UHFFFAOYSA-N 1 1 324.381 1.164 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CCO)C2)c1[N+](=O)[O-] ZINC000891949022 710335840 /nfs/dbraw/zinc/33/58/40/710335840.db2.gz YDQVGKBGZMIPJL-NSHDSACASA-N 1 1 310.350 1.903 20 5 DDBDMO Cn1c2ccccc2c(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1=O ZINC000892007845 710351778 /nfs/dbraw/zinc/35/17/78/710351778.db2.gz NMFSBDGZPSIMNM-NSHDSACASA-N 1 1 316.361 1.953 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452037 713203248 /nfs/dbraw/zinc/20/32/48/713203248.db2.gz MNJPKXBZVBTAQL-WFASDCNBSA-N 1 1 320.393 1.996 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928456455 713205035 /nfs/dbraw/zinc/20/50/35/713205035.db2.gz RPLYOWIDVQDINW-MFKMUULPSA-N 1 1 318.377 1.992 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000928457570 713205238 /nfs/dbraw/zinc/20/52/38/713205238.db2.gz XJIMFBWRCBCTSG-GXSJLCMTSA-N 1 1 323.349 1.434 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893941812 710893892 /nfs/dbraw/zinc/89/38/92/710893892.db2.gz WWXPVMKHDVDUOZ-CMPLNLGQSA-N 1 1 320.349 1.307 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928569263 713232255 /nfs/dbraw/zinc/23/22/55/713232255.db2.gz XVYOJIUORHSZDY-SECBINFHSA-N 1 1 309.322 1.046 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928569263 713232256 /nfs/dbraw/zinc/23/22/56/713232256.db2.gz XVYOJIUORHSZDY-SECBINFHSA-N 1 1 309.322 1.046 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000928570074 713233048 /nfs/dbraw/zinc/23/30/48/713233048.db2.gz REDWJBNSYPHWKK-LBPRGKRZSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000928570074 713233049 /nfs/dbraw/zinc/23/30/49/713233049.db2.gz REDWJBNSYPHWKK-LBPRGKRZSA-N 1 1 315.333 1.214 20 5 DDBDMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000895066214 711394753 /nfs/dbraw/zinc/39/47/53/711394753.db2.gz IXSTZRZUVUBPMV-FPMFFAJLSA-N 1 1 318.377 1.859 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545980 713252914 /nfs/dbraw/zinc/25/29/14/713252914.db2.gz DZAWFIZLIYTBBQ-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545980 713252916 /nfs/dbraw/zinc/25/29/16/713252916.db2.gz DZAWFIZLIYTBBQ-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247513 711464713 /nfs/dbraw/zinc/46/47/13/711464713.db2.gz VFFJIHKBBUNXPW-SKDRFNHKSA-N 1 1 313.789 1.689 20 5 DDBDMO Cn1c2ccccc2c(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1=O ZINC000895776909 711604103 /nfs/dbraw/zinc/60/41/03/711604103.db2.gz NTUKOVVRMIYHLQ-SNVBAGLBSA-N 1 1 302.334 1.563 20 5 DDBDMO Cn1c2ccccc2c(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1=O ZINC000895776909 711604106 /nfs/dbraw/zinc/60/41/06/711604106.db2.gz NTUKOVVRMIYHLQ-SNVBAGLBSA-N 1 1 302.334 1.563 20 5 DDBDMO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C[NH3+] ZINC000904410717 711854470 /nfs/dbraw/zinc/85/44/70/711854470.db2.gz FYBCPMLRQTXRGB-RYUDHWBXSA-N 1 1 321.377 1.783 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908269811 712725346 /nfs/dbraw/zinc/72/53/46/712725346.db2.gz WDAYFVAWQIZOFZ-UHFFFAOYSA-N 1 1 320.393 1.644 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000929090338 713543789 /nfs/dbraw/zinc/54/37/89/713543789.db2.gz BDLYBPKHKQYGKA-GXFFZTMASA-N 1 1 320.349 1.771 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)C2(O)CCC2)C2CC2)c1 ZINC000929853341 713707139 /nfs/dbraw/zinc/70/71/39/713707139.db2.gz LYDONWWDJYYHMX-HNNXBMFYSA-N 1 1 306.362 1.835 20 5 DDBDMO CCOCCOCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987474 713729619 /nfs/dbraw/zinc/72/96/19/713729619.db2.gz JYJLLHMCJHRKKR-CYBMUJFWSA-N 1 1 324.381 1.529 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931193840 714030736 /nfs/dbraw/zinc/03/07/36/714030736.db2.gz OSGDSQSCMBUXMM-UHFFFAOYSA-N 1 1 318.333 1.601 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC000931193840 714030739 /nfs/dbraw/zinc/03/07/39/714030739.db2.gz OSGDSQSCMBUXMM-UHFFFAOYSA-N 1 1 318.333 1.601 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000931397338 714084201 /nfs/dbraw/zinc/08/42/01/714084201.db2.gz MGTPOFDLVCYROM-QLFBSQMISA-N 1 1 321.377 1.113 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720609 714168868 /nfs/dbraw/zinc/16/88/68/714168868.db2.gz SYWPOAHYXFCAEG-NUEKZKHPSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720609 714168871 /nfs/dbraw/zinc/16/88/71/714168871.db2.gz SYWPOAHYXFCAEG-NUEKZKHPSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720609 714168873 /nfs/dbraw/zinc/16/88/73/714168873.db2.gz SYWPOAHYXFCAEG-NUEKZKHPSA-N 1 1 305.378 1.797 20 5 DDBDMO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932104366 714259815 /nfs/dbraw/zinc/25/98/15/714259815.db2.gz FIOUHMBSJVCHDD-UXIGCNINSA-N 1 1 322.361 1.759 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000933088977 714514524 /nfs/dbraw/zinc/51/45/24/714514524.db2.gz NXFJITWUOQYZOJ-ZDUSSCGKSA-N 1 1 308.382 1.967 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933743278 714660787 /nfs/dbraw/zinc/66/07/87/714660787.db2.gz MPUKIXQHTMNQBD-CJNGLKHVSA-N 1 1 305.378 1.857 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@H+]1C ZINC000925333468 714815377 /nfs/dbraw/zinc/81/53/77/714815377.db2.gz FCMYAZQJCBSDHA-FZMZJTMJSA-N 1 1 318.377 1.755 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000925424516 714852201 /nfs/dbraw/zinc/85/22/01/714852201.db2.gz MHRBUVQUWDHIDP-LLVKDONJSA-N 1 1 306.366 1.833 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CC[N@H+]1C ZINC000925423557 714852384 /nfs/dbraw/zinc/85/23/84/714852384.db2.gz QWTPSTMBCSDNHI-CYBMUJFWSA-N 1 1 306.366 1.483 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000934838779 714914201 /nfs/dbraw/zinc/91/42/01/714914201.db2.gz OZFOKYWGXRIRGD-ZIAGYGMSSA-N 1 1 308.382 1.930 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164631982 719256899 /nfs/dbraw/zinc/25/68/99/719256899.db2.gz GSTXIWXRZISQES-ZJUUUORDSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164631982 719256903 /nfs/dbraw/zinc/25/69/03/719256903.db2.gz GSTXIWXRZISQES-ZJUUUORDSA-N 1 1 308.338 1.305 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001167359220 733291505 /nfs/dbraw/zinc/29/15/05/733291505.db2.gz MEIBLKUZXSQORB-CUQIWSDWSA-N 1 1 305.725 1.711 20 5 DDBDMO CC1(C)CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001025776703 736853310 /nfs/dbraw/zinc/85/33/10/736853310.db2.gz FRLZVUBFRWKXCT-RGDJUOJXSA-N 1 1 307.394 1.134 20 5 DDBDMO CC1(C)CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001025776703 736853312 /nfs/dbraw/zinc/85/33/12/736853312.db2.gz FRLZVUBFRWKXCT-RGDJUOJXSA-N 1 1 307.394 1.134 20 5 DDBDMO CC1(C)CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001025776703 736853314 /nfs/dbraw/zinc/85/33/14/736853314.db2.gz FRLZVUBFRWKXCT-RGDJUOJXSA-N 1 1 307.394 1.134 20 5 DDBDMO Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)c1 ZINC001031662757 747337297 /nfs/dbraw/zinc/33/72/97/747337297.db2.gz LKPDZVOFJPWQLP-HZPDHXFCSA-N 1 1 317.389 1.517 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001128982755 750630313 /nfs/dbraw/zinc/63/03/13/750630313.db2.gz QZRJEDSPXZHCTM-YOGCLGLASA-N 1 1 304.350 1.653 20 5 DDBDMO O=C(NCC1=CC[N@@H+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673528 762077847 /nfs/dbraw/zinc/07/78/47/762077847.db2.gz GCGWVIMGOINMKZ-HZPDHXFCSA-N 1 1 315.373 1.600 20 5 DDBDMO O=C(NCC1=CC[N@H+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673528 762077853 /nfs/dbraw/zinc/07/78/53/762077853.db2.gz GCGWVIMGOINMKZ-HZPDHXFCSA-N 1 1 315.373 1.600 20 5 DDBDMO O=C(NCC1=CC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673528 762077860 /nfs/dbraw/zinc/07/78/60/762077860.db2.gz GCGWVIMGOINMKZ-HZPDHXFCSA-N 1 1 315.373 1.600 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023821 762200693 /nfs/dbraw/zinc/20/06/93/762200693.db2.gz FLWKVSDPPWPYRE-FPCVCCKLSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023821 762200700 /nfs/dbraw/zinc/20/07/00/762200700.db2.gz FLWKVSDPPWPYRE-FPCVCCKLSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023821 762200704 /nfs/dbraw/zinc/20/07/04/762200704.db2.gz FLWKVSDPPWPYRE-FPCVCCKLSA-N 1 1 309.410 1.227 20 5 DDBDMO CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169025764 762203674 /nfs/dbraw/zinc/20/36/74/762203674.db2.gz UVKOYHBALNIAKV-CHWSQXEVSA-N 1 1 308.382 1.681 20 5 DDBDMO CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169025764 762203679 /nfs/dbraw/zinc/20/36/79/762203679.db2.gz UVKOYHBALNIAKV-CHWSQXEVSA-N 1 1 308.382 1.681 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328987 766254166 /nfs/dbraw/zinc/25/41/66/766254166.db2.gz MRXPYYZXZXWRNB-WXHSDQCUSA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328987 766254168 /nfs/dbraw/zinc/25/41/68/766254168.db2.gz MRXPYYZXZXWRNB-WXHSDQCUSA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329051 766254865 /nfs/dbraw/zinc/25/48/65/766254865.db2.gz NPTGKPDHZGDQSQ-YPMHNXCESA-N 1 1 321.377 1.732 20 5 DDBDMO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC001170352518 766260416 /nfs/dbraw/zinc/26/04/16/766260416.db2.gz XNDMNPBVMDMQMM-ZENOOKHLSA-N 1 1 323.393 1.015 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC001170352518 766260421 /nfs/dbraw/zinc/26/04/21/766260421.db2.gz XNDMNPBVMDMQMM-ZENOOKHLSA-N 1 1 323.393 1.015 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC001170352518 766260426 /nfs/dbraw/zinc/26/04/26/766260426.db2.gz XNDMNPBVMDMQMM-ZENOOKHLSA-N 1 1 323.393 1.015 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097057349 771610946 /nfs/dbraw/zinc/61/09/46/771610946.db2.gz WKJZZBQHOXBNQM-HAQNSBGRSA-N 1 1 321.381 1.391 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001170900194 771898938 /nfs/dbraw/zinc/89/89/38/771898938.db2.gz QBBAZUQWDKKCKH-SECBINFHSA-N 1 1 321.150 1.932 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ncccc1[N+](=O)[O-])C1CCC1 ZINC001094221993 775544334 /nfs/dbraw/zinc/54/43/34/775544334.db2.gz ZLKJSOHMSQSIGH-UHFFFAOYSA-N 1 1 307.354 1.002 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001173221011 777053190 /nfs/dbraw/zinc/05/31/90/777053190.db2.gz FGARWIVFGRAKBR-LRDDRELGSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001173231912 777063611 /nfs/dbraw/zinc/06/36/11/777063611.db2.gz DPIMFNQALBQANR-BXUZGUMPSA-N 1 1 305.334 1.662 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001173231912 777063615 /nfs/dbraw/zinc/06/36/15/777063615.db2.gz DPIMFNQALBQANR-BXUZGUMPSA-N 1 1 305.334 1.662 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101704408 777412802 /nfs/dbraw/zinc/41/28/02/777412802.db2.gz GPRSUCCLJOSAFR-UHFFFAOYSA-N 1 1 309.370 1.202 20 5 DDBDMO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001102017147 777798026 /nfs/dbraw/zinc/79/80/26/777798026.db2.gz HLWWPTGXELDAJP-UHFFFAOYSA-N 1 1 321.381 1.344 20 5 DDBDMO CCC(=O)N(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001102409844 778122525 /nfs/dbraw/zinc/12/25/25/778122525.db2.gz YEWSJIXWOYCOEX-UHFFFAOYSA-N 1 1 320.393 1.585 20 5 DDBDMO C[N@H+](CCNC(=O)c1ncc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266271944 836021423 /nfs/dbraw/zinc/02/14/23/836021423.db2.gz OGJJUHMGEUEANR-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ncc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266271944 836021431 /nfs/dbraw/zinc/02/14/31/836021431.db2.gz OGJJUHMGEUEANR-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001155155910 861782875 /nfs/dbraw/zinc/78/28/75/861782875.db2.gz CATUAHBXECVZAN-JGVFFNPUSA-N 1 1 313.745 1.280 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001149922548 861977004 /nfs/dbraw/zinc/97/70/04/861977004.db2.gz DDGHDBOWQVHEDI-LBPRGKRZSA-N 1 1 317.301 1.680 20 5 DDBDMO CO[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001122952348 859024431 /nfs/dbraw/zinc/02/44/31/859024431.db2.gz PTUACVQMILFHNV-RRFJBIMHSA-N 1 1 320.345 1.747 20 5 DDBDMO CO[C@@H]1C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001122952348 859024444 /nfs/dbraw/zinc/02/44/44/859024444.db2.gz PTUACVQMILFHNV-RRFJBIMHSA-N 1 1 320.345 1.747 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC001123028248 859062607 /nfs/dbraw/zinc/06/26/07/859062607.db2.gz AOJZUVSNBSDBCF-LLVKDONJSA-N 1 1 310.354 1.516 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001225451269 881840750 /nfs/dbraw/zinc/84/07/50/881840750.db2.gz PZWUPEUHIUMSIH-GFCCVEGCSA-N 1 1 324.333 1.481 20 5 DDBDMO Cc1nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160721464 866063028 /nfs/dbraw/zinc/06/30/28/866063028.db2.gz YUSPWAUVMWAWBT-OCCSQVGLSA-N 1 1 306.366 1.963 20 5 DDBDMO CCOc1cnc(NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001161703979 866912628 /nfs/dbraw/zinc/91/26/28/866912628.db2.gz VHWVBOANPNFQPC-UHFFFAOYSA-N 1 1 323.397 1.438 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001333928908 867164738 /nfs/dbraw/zinc/16/47/38/867164738.db2.gz CHOLDMWUMQRXEE-TUAOUCFPSA-N 1 1 321.381 1.429 20 5 DDBDMO COC(=O)c1cnc(NC2C[NH+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001162221644 867355600 /nfs/dbraw/zinc/35/56/00/867355600.db2.gz PCBYJDYEAIFJJX-UHFFFAOYSA-N 1 1 308.338 1.671 20 5 DDBDMO CN1Cc2cc(NC[C@@H]3C[N@H+](C)CCO3)cc([N+](=O)[O-])c2N1 ZINC001162693994 867741015 /nfs/dbraw/zinc/74/10/15/867741015.db2.gz KNTSGDOAIGRLLI-GFCCVEGCSA-N 1 1 307.354 1.110 20 5 DDBDMO CN1Cc2cc(NC[C@@H]3C[N@@H+](C)CCO3)cc([N+](=O)[O-])c2N1 ZINC001162693994 867741026 /nfs/dbraw/zinc/74/10/26/867741026.db2.gz KNTSGDOAIGRLLI-GFCCVEGCSA-N 1 1 307.354 1.110 20 5 DDBDMO C[NH+](C)C=Cc1cc(NC[C@@H]2CNC(=O)O2)ncc1[N+](=O)[O-] ZINC001163022555 868013344 /nfs/dbraw/zinc/01/33/44/868013344.db2.gz KASRYSMFVBHACG-HMDXOVGESA-N 1 1 307.310 1.042 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC001336205363 868787653 /nfs/dbraw/zinc/78/76/53/868787653.db2.gz XSYYUEMRWMHPDM-CYBMUJFWSA-N 1 1 323.397 1.399 20 5 DDBDMO CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494535 869232168 /nfs/dbraw/zinc/23/21/68/869232168.db2.gz LEEZMTDDHNDTTL-ZIAGYGMSSA-N 1 1 311.426 1.964 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC001337678393 869592381 /nfs/dbraw/zinc/59/23/81/869592381.db2.gz HTXRCCITBIOMGR-XHDPSFHLSA-N 1 1 308.382 1.650 20 5 DDBDMO C[C@H](c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001338210355 869869464 /nfs/dbraw/zinc/86/94/64/869869464.db2.gz PJHANNWYLZYMKH-GFCCVEGCSA-N 1 1 322.413 1.608 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3ncccn3)C2)cc1 ZINC001308111072 871471025 /nfs/dbraw/zinc/47/10/25/871471025.db2.gz BMDWUSCEEIVSQE-HIFRSBDPSA-N 1 1 314.345 1.908 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001318153625 871784656 /nfs/dbraw/zinc/78/46/56/871784656.db2.gz JYWCYJMYODYQNW-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001349696118 875310770 /nfs/dbraw/zinc/31/07/70/875310770.db2.gz ZFCMKJFTIVKZTG-DDTOSNHZSA-N 1 1 319.361 1.673 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)c2ccccc21 ZINC001350007588 875497172 /nfs/dbraw/zinc/49/71/72/875497172.db2.gz LIKFMPRUFPERGB-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCOC[C@H]3C2)c2ccccc21 ZINC001350007588 875497177 /nfs/dbraw/zinc/49/71/77/875497177.db2.gz LIKFMPRUFPERGB-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C1CCCC1 ZINC001352968661 877044999 /nfs/dbraw/zinc/04/49/99/877044999.db2.gz HFRPTWUTKJDQIE-LBPRGKRZSA-N 1 1 321.381 1.267 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)cc1O ZINC001228810884 883681928 /nfs/dbraw/zinc/68/19/28/883681928.db2.gz LDEHIJHPAQYESL-AWEZNQCLSA-N 1 1 322.317 1.560 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001288259395 912802447 /nfs/dbraw/zinc/80/24/47/912802447.db2.gz NKZNSRPBOVLQGQ-LLVKDONJSA-N 1 1 322.321 1.635 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001288259395 912802458 /nfs/dbraw/zinc/80/24/58/912802458.db2.gz NKZNSRPBOVLQGQ-LLVKDONJSA-N 1 1 322.321 1.635 20 5 DDBDMO COC(=O)c1cnc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001233859990 887398254 /nfs/dbraw/zinc/39/82/54/887398254.db2.gz SWLJUEQDXJMDCI-ZSBIGDGJSA-N 1 1 321.333 1.780 20 5 DDBDMO COC(=O)N1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592156 896520321 /nfs/dbraw/zinc/52/03/21/896520321.db2.gz BUZGIAVKUPGXJF-HNNXBMFYSA-N 1 1 319.361 1.836 20 5 DDBDMO CC(=O)N(C)[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611676 896533689 /nfs/dbraw/zinc/53/36/89/896533689.db2.gz QZEULWTXESPNMS-HOTGVXAUSA-N 1 1 303.362 1.615 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000615000825 362112521 /nfs/dbraw/zinc/11/25/21/362112521.db2.gz WSMOYIYALHKBGK-AWEZNQCLSA-N 1 1 308.382 1.808 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092763121 185338675 /nfs/dbraw/zinc/33/86/75/185338675.db2.gz URAFSQWVMZKADY-GFCCVEGCSA-N 1 1 316.361 1.810 20 5 DDBDMO CCc1nn(C)c(N[C@@H]2CCc3[nH+]c(C)cn3C2)c1[N+](=O)[O-] ZINC000302611748 529767659 /nfs/dbraw/zinc/76/76/59/529767659.db2.gz BQPLEMJMQHCAMJ-SNVBAGLBSA-N 1 1 304.354 1.823 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181606753 199326234 /nfs/dbraw/zinc/32/62/34/199326234.db2.gz JPYXOAIKOIKUMK-NSHDSACASA-N 1 1 321.333 1.538 20 5 DDBDMO COc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000457458755 232059679 /nfs/dbraw/zinc/05/96/79/232059679.db2.gz PACNHFMFURWLRP-UHFFFAOYSA-N 1 1 304.306 1.425 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279723184 215092957 /nfs/dbraw/zinc/09/29/57/215092957.db2.gz IZHYQCNXYGYLIX-MFKMUULPSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279723184 215092961 /nfs/dbraw/zinc/09/29/61/215092961.db2.gz IZHYQCNXYGYLIX-MFKMUULPSA-N 1 1 307.350 1.625 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000358468991 299163678 /nfs/dbraw/zinc/16/36/78/299163678.db2.gz RLCCIDXTKOWTHI-UHFFFAOYSA-N 1 1 307.354 1.262 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000368572165 307105630 /nfs/dbraw/zinc/10/56/30/307105630.db2.gz GFKZPIUPSHKIQD-LBPRGKRZSA-N 1 1 307.350 1.691 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccsc2C1 ZINC000152668389 186096022 /nfs/dbraw/zinc/09/60/22/186096022.db2.gz IDRUQDJJVDDSKW-UHFFFAOYSA-N 1 1 305.359 1.876 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266863674 186363514 /nfs/dbraw/zinc/36/35/14/186363514.db2.gz LUEZGOSVFZDOOR-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266863674 186363516 /nfs/dbraw/zinc/36/35/16/186363516.db2.gz LUEZGOSVFZDOOR-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047142666 352483086 /nfs/dbraw/zinc/48/30/86/352483086.db2.gz AXLSJEJYDGTUKW-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000068777881 353129522 /nfs/dbraw/zinc/12/95/22/353129522.db2.gz UNWPCMBVAPISJX-UHFFFAOYSA-N 1 1 324.356 1.872 20 5 DDBDMO Cc1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078669267 353527291 /nfs/dbraw/zinc/52/72/91/353527291.db2.gz HVRBYRXYFJXEIE-ZDUSSCGKSA-N 1 1 306.366 1.457 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000091478033 353827066 /nfs/dbraw/zinc/82/70/66/353827066.db2.gz SNFNRHJRHUAAFN-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091478067 353827301 /nfs/dbraw/zinc/82/73/01/353827301.db2.gz JZSQLOUPZIDGAW-LBPRGKRZSA-N 1 1 306.366 1.594 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000126045079 354049878 /nfs/dbraw/zinc/04/98/78/354049878.db2.gz JJJKVGCRRFHSLG-LBPRGKRZSA-N 1 1 318.377 1.702 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280817252 354424700 /nfs/dbraw/zinc/42/47/00/354424700.db2.gz UMEPZFKADDIRGS-BXUZGUMPSA-N 1 1 308.334 1.715 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000305211102 354469394 /nfs/dbraw/zinc/46/93/94/354469394.db2.gz HALFEQVNWVPLRY-OAHLLOKOSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000589574578 355002092 /nfs/dbraw/zinc/00/20/92/355002092.db2.gz BNBTUNTVSHIXCL-QWRGUYRKSA-N 1 1 319.365 1.152 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCOC1 ZINC000589184414 354969595 /nfs/dbraw/zinc/96/95/95/354969595.db2.gz GBKJOEKVWVWFRZ-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCCOC1 ZINC000589184414 354969596 /nfs/dbraw/zinc/96/95/96/354969596.db2.gz GBKJOEKVWVWFRZ-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO NC(=O)Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000589320870 354984343 /nfs/dbraw/zinc/98/43/43/354984343.db2.gz SQHHTOKCFBBJRB-UHFFFAOYSA-N 1 1 305.359 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCOC2)c1 ZINC000589502770 354996955 /nfs/dbraw/zinc/99/69/55/354996955.db2.gz JLAOVMRCWFRITN-NSHDSACASA-N 1 1 308.334 1.850 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590446508 355099654 /nfs/dbraw/zinc/09/96/54/355099654.db2.gz WBWYIZYCOOEZEF-BXUZGUMPSA-N 1 1 323.780 1.953 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591029800 355235782 /nfs/dbraw/zinc/23/57/82/355235782.db2.gz JORUKIFOWLYBEK-AEGPPILISA-N 1 1 303.362 1.909 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CSc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000591953441 355445052 /nfs/dbraw/zinc/44/50/52/355445052.db2.gz HPQMGEHTXSVOOF-LLVKDONJSA-N 1 1 320.374 1.961 20 5 DDBDMO C[N@H+]1CCO[C@@H](CSc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000591953441 355445055 /nfs/dbraw/zinc/44/50/55/355445055.db2.gz HPQMGEHTXSVOOF-LLVKDONJSA-N 1 1 320.374 1.961 20 5 DDBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CC=CC2 ZINC000592446776 355586846 /nfs/dbraw/zinc/58/68/46/355586846.db2.gz XCNPQBAADKEHJK-CABCVRRESA-N 1 1 320.393 1.829 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2(CCC2)CO1 ZINC000593090663 355792167 /nfs/dbraw/zinc/79/21/67/355792167.db2.gz BZBKXEMKJBPNHQ-LBPRGKRZSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2(CCC2)CO1 ZINC000593090663 355792168 /nfs/dbraw/zinc/79/21/68/355792168.db2.gz BZBKXEMKJBPNHQ-LBPRGKRZSA-N 1 1 307.350 1.400 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000593188884 355820809 /nfs/dbraw/zinc/82/08/09/355820809.db2.gz RPHPUJJZCQSUDQ-OUAUKWLOSA-N 1 1 309.370 1.039 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593882411 356040166 /nfs/dbraw/zinc/04/01/66/356040166.db2.gz GELJCJRSIFLGJQ-UHFFFAOYSA-N 1 1 323.397 1.999 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000595005612 356371356 /nfs/dbraw/zinc/37/13/56/356371356.db2.gz BMXKOQXGMWFYJK-GWCFXTLKSA-N 1 1 307.350 1.923 20 5 DDBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458661 356499996 /nfs/dbraw/zinc/49/99/96/356499996.db2.gz JMEZZMRMWRHBBV-ZDUSSCGKSA-N 1 1 300.330 1.952 20 5 DDBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458661 356500000 /nfs/dbraw/zinc/50/00/00/356500000.db2.gz JMEZZMRMWRHBBV-ZDUSSCGKSA-N 1 1 300.330 1.952 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC(C[NH2+]CC)CC2)c1[N+](=O)[O-] ZINC000236883827 202052141 /nfs/dbraw/zinc/05/21/41/202052141.db2.gz UFDYSXYRKVSMNI-UHFFFAOYSA-N 1 1 323.397 1.732 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)[C@H]1O ZINC000595747688 356633323 /nfs/dbraw/zinc/63/33/23/356633323.db2.gz CCBQRMISJONFKC-HBYGRHMLSA-N 1 1 322.361 1.910 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595766300 356644355 /nfs/dbraw/zinc/64/43/55/356644355.db2.gz OFTDNABOBQIQBA-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC(CO)(CO)C2)ccc1[N+](=O)[O-] ZINC000595807599 356658954 /nfs/dbraw/zinc/65/89/54/356658954.db2.gz RETCGUASBXQLDG-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC(CO)(CO)C2)ccc1[N+](=O)[O-] ZINC000595807599 356658958 /nfs/dbraw/zinc/65/89/58/356658958.db2.gz RETCGUASBXQLDG-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876234 356688233 /nfs/dbraw/zinc/68/82/33/356688233.db2.gz RCSWIXFKNAAHQK-BLLLJJGKSA-N 1 1 321.377 1.874 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000596239198 356828889 /nfs/dbraw/zinc/82/88/89/356828889.db2.gz ZFOVDTBEGOXWNG-SECBINFHSA-N 1 1 301.306 1.386 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000596239198 356828891 /nfs/dbraw/zinc/82/88/91/356828891.db2.gz ZFOVDTBEGOXWNG-SECBINFHSA-N 1 1 301.306 1.386 20 5 DDBDMO COC(=O)c1cccc(OCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000596299489 356849329 /nfs/dbraw/zinc/84/93/29/356849329.db2.gz KXGUHFWURDRKGD-UHFFFAOYSA-N 1 1 305.290 1.736 20 5 DDBDMO Cc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537431 356910276 /nfs/dbraw/zinc/91/02/76/356910276.db2.gz FXKOJHRVURLXDY-CYBMUJFWSA-N 1 1 306.366 1.334 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CSC[NH2+]1 ZINC000237257028 202207635 /nfs/dbraw/zinc/20/76/35/202207635.db2.gz HPZPEFTYBSYUMY-NSHDSACASA-N 1 1 315.782 1.869 20 5 DDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944455 357393730 /nfs/dbraw/zinc/39/37/30/357393730.db2.gz CYTDSSJHSUHBJI-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO CCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597944572 357394038 /nfs/dbraw/zinc/39/40/38/357394038.db2.gz FPZDIILZZCGZOR-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000598041437 357439858 /nfs/dbraw/zinc/43/98/58/357439858.db2.gz LWTAZKRMNMRNSJ-AWEZNQCLSA-N 1 1 321.377 1.916 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000598218893 357497122 /nfs/dbraw/zinc/49/71/22/357497122.db2.gz IYJBJOXCZKLKIS-NSHDSACASA-N 1 1 321.381 1.465 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598221928 357498272 /nfs/dbraw/zinc/49/82/72/357498272.db2.gz YRASKIRXHNGQOM-JTQLQIEISA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(NCC1CC[NH+](CC2CC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000598540492 357626867 /nfs/dbraw/zinc/62/68/67/357626867.db2.gz KZLAZRATPGGJRI-UHFFFAOYSA-N 1 1 307.354 1.170 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598512411 357611906 /nfs/dbraw/zinc/61/19/06/357611906.db2.gz ZNURWOUXRHXRJB-ZDUSSCGKSA-N 1 1 314.345 1.927 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598512411 357611908 /nfs/dbraw/zinc/61/19/08/357611908.db2.gz ZNURWOUXRHXRJB-ZDUSSCGKSA-N 1 1 314.345 1.927 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598651506 357671616 /nfs/dbraw/zinc/67/16/16/357671616.db2.gz UPHUJDLSXVWQQV-RYUDHWBXSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598651506 357671620 /nfs/dbraw/zinc/67/16/20/357671620.db2.gz UPHUJDLSXVWQQV-RYUDHWBXSA-N 1 1 307.350 1.484 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599081267 357808931 /nfs/dbraw/zinc/80/89/31/357808931.db2.gz KQSCMFBJTVJIGU-BYCMXARLSA-N 1 1 316.361 1.778 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(C)COC1 ZINC000599571975 357979509 /nfs/dbraw/zinc/97/95/09/357979509.db2.gz ZBKQKZJOCSASLU-UHFFFAOYSA-N 1 1 323.349 1.510 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(C)COC1 ZINC000599571975 357979513 /nfs/dbraw/zinc/97/95/13/357979513.db2.gz ZBKQKZJOCSASLU-UHFFFAOYSA-N 1 1 323.349 1.510 20 5 DDBDMO C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623364 357995986 /nfs/dbraw/zinc/99/59/86/357995986.db2.gz OXUUFODZMDMABX-MWLCHTKSSA-N 1 1 304.297 1.272 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600192455 358152055 /nfs/dbraw/zinc/15/20/55/358152055.db2.gz OQFZEHPSRBVXHJ-HNNXBMFYSA-N 1 1 308.334 1.667 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000601120527 358410790 /nfs/dbraw/zinc/41/07/90/358410790.db2.gz IAUVEFSGSBPSCE-LLVKDONJSA-N 1 1 310.329 1.287 20 5 DDBDMO C[C@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCC(=O)N1 ZINC000601172555 358432023 /nfs/dbraw/zinc/43/20/23/358432023.db2.gz AOXWWVBTWFHTGL-OAHLLOKOSA-N 1 1 300.318 1.646 20 5 DDBDMO O=[N+]([O-])c1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000601953303 358751688 /nfs/dbraw/zinc/75/16/88/358751688.db2.gz DXNQTOIYSIPRIM-OAHLLOKOSA-N 1 1 302.334 1.428 20 5 DDBDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453997 358987729 /nfs/dbraw/zinc/98/77/29/358987729.db2.gz LTYGUHTXYCDPPR-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000602843193 359231406 /nfs/dbraw/zinc/23/14/06/359231406.db2.gz WERNWIYYNUDZDW-BFHYXJOUSA-N 1 1 308.382 1.725 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCc3ncnn31)CC2 ZINC000602802391 359202204 /nfs/dbraw/zinc/20/22/04/359202204.db2.gz QRAFTHPQYFBUMD-NSHDSACASA-N 1 1 300.322 1.127 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000618455656 363637332 /nfs/dbraw/zinc/63/73/32/363637332.db2.gz COYVSBXIRZPIJP-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO C[C@](CO)([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963659 359326131 /nfs/dbraw/zinc/32/61/31/359326131.db2.gz YDAQMWLWCHBAMW-GHMZBOCLSA-N 1 1 308.256 1.315 20 5 DDBDMO CC[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982688 359337758 /nfs/dbraw/zinc/33/77/58/359337758.db2.gz WUAJRYJQQFKXQC-ZBFHGGJFSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141799 359431523 /nfs/dbraw/zinc/43/15/23/359431523.db2.gz IOQUVGXUTCUYRF-JTQLQIEISA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141799 359431528 /nfs/dbraw/zinc/43/15/28/359431528.db2.gz IOQUVGXUTCUYRF-JTQLQIEISA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141799 359431534 /nfs/dbraw/zinc/43/15/34/359431534.db2.gz IOQUVGXUTCUYRF-JTQLQIEISA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141799 359431538 /nfs/dbraw/zinc/43/15/38/359431538.db2.gz IOQUVGXUTCUYRF-JTQLQIEISA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1nn(CC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322099 359568407 /nfs/dbraw/zinc/56/84/07/359568407.db2.gz SVGDLFHDHVMAKA-QWRGUYRKSA-N 1 1 319.365 1.757 20 5 DDBDMO Cc1nn(CCCN2CC[NH+](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603328629 359571319 /nfs/dbraw/zinc/57/13/19/359571319.db2.gz SMABXEXRBZHSAI-UHFFFAOYSA-N 1 1 318.381 1.285 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccco1 ZINC000186755312 200004337 /nfs/dbraw/zinc/00/43/37/200004337.db2.gz OHQWHQPLBHTXDX-LLVKDONJSA-N 1 1 320.305 1.321 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000186959729 200039009 /nfs/dbraw/zinc/03/90/09/200039009.db2.gz UJNKHPMKFFUXTK-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000186959729 200039011 /nfs/dbraw/zinc/03/90/11/200039011.db2.gz UJNKHPMKFFUXTK-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000188682628 200286641 /nfs/dbraw/zinc/28/66/41/200286641.db2.gz XESPLXDOICZCAF-GFCCVEGCSA-N 1 1 321.377 1.512 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCOCC(F)F)CC2)c1 ZINC000188737756 200297338 /nfs/dbraw/zinc/29/73/38/200297338.db2.gz CWKZVQFLMIASAK-UHFFFAOYSA-N 1 1 315.320 1.999 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000609269895 360285719 /nfs/dbraw/zinc/28/57/19/360285719.db2.gz ZDPHISSCBIJCJB-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000609675107 360344048 /nfs/dbraw/zinc/34/40/48/360344048.db2.gz VWRQGXQVULHGDU-CYBMUJFWSA-N 1 1 305.382 1.206 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000609675066 360344096 /nfs/dbraw/zinc/34/40/96/360344096.db2.gz RFMBUGPEENNJKI-LBPRGKRZSA-N 1 1 310.423 1.873 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000611525911 360748194 /nfs/dbraw/zinc/74/81/94/360748194.db2.gz OEYUTOBLFRHSGM-ZDUSSCGKSA-N 1 1 308.382 1.956 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000611616479 360777137 /nfs/dbraw/zinc/77/71/37/360777137.db2.gz SJFYYYNKTIZMTR-UHFFFAOYSA-N 1 1 308.382 1.500 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000612086862 360915040 /nfs/dbraw/zinc/91/50/40/360915040.db2.gz YZYIHLRJYCOCLA-OCCSQVGLSA-N 1 1 310.350 1.037 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000193583750 201079589 /nfs/dbraw/zinc/07/95/89/201079589.db2.gz GXTYECADMCULBZ-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194033320 201167370 /nfs/dbraw/zinc/16/73/70/201167370.db2.gz MWAARNMVPSRLOB-CQSZACIVSA-N 1 1 323.305 1.888 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194033320 201167371 /nfs/dbraw/zinc/16/73/71/201167371.db2.gz MWAARNMVPSRLOB-CQSZACIVSA-N 1 1 323.305 1.888 20 5 DDBDMO C[N@@H+](CCO)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001120459635 781959265 /nfs/dbraw/zinc/95/92/65/781959265.db2.gz DOZBUUQYHCFQKP-UHFFFAOYSA-N 1 1 307.272 1.950 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H](C)[NH+]1CCOCC1 ZINC000264187220 203752367 /nfs/dbraw/zinc/75/23/67/203752367.db2.gz BVPFWGWOYKKRHJ-ZJUUUORDSA-N 1 1 321.337 1.652 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000264611082 204027818 /nfs/dbraw/zinc/02/78/18/204027818.db2.gz IAAVRFQHFXUONI-NSHDSACASA-N 1 1 309.391 1.755 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000264918512 204269757 /nfs/dbraw/zinc/26/97/57/204269757.db2.gz YQLXFDGVQDPHIH-UHFFFAOYSA-N 1 1 322.365 1.497 20 5 DDBDMO CCCNC(=O)NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282544214 217076705 /nfs/dbraw/zinc/07/67/05/217076705.db2.gz WJJKLZSCUJDRAL-UHFFFAOYSA-N 1 1 322.365 1.305 20 5 DDBDMO CCCNC(=O)NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282544214 217076708 /nfs/dbraw/zinc/07/67/08/217076708.db2.gz WJJKLZSCUJDRAL-UHFFFAOYSA-N 1 1 322.365 1.305 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288342110 220096179 /nfs/dbraw/zinc/09/61/79/220096179.db2.gz ISEDWBLMSBAAOG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288342110 220096184 /nfs/dbraw/zinc/09/61/84/220096184.db2.gz ISEDWBLMSBAAOG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[NH+](C)C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000267443855 206071866 /nfs/dbraw/zinc/07/18/66/206071866.db2.gz CPYFYMAOFCYYFJ-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO COc1ccc(OCC[N@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000173499252 248339460 /nfs/dbraw/zinc/33/94/60/248339460.db2.gz OAFQBZZDUZIXBI-UHFFFAOYSA-N 1 1 311.338 1.002 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000173499252 248339465 /nfs/dbraw/zinc/33/94/65/248339465.db2.gz OAFQBZZDUZIXBI-UHFFFAOYSA-N 1 1 311.338 1.002 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000336870662 249276631 /nfs/dbraw/zinc/27/66/31/249276631.db2.gz BMHAFAMLGBOKQN-NEPJUHHUSA-N 1 1 318.377 1.945 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000284864682 218213204 /nfs/dbraw/zinc/21/32/04/218213204.db2.gz SHEDHWYPUGOGLT-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284923283 218236030 /nfs/dbraw/zinc/23/60/30/218236030.db2.gz UDBBXQCDVTWMIZ-GOEBONIOSA-N 1 1 321.377 1.508 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105820980 194135650 /nfs/dbraw/zinc/13/56/50/194135650.db2.gz PYQOCSXXNYEPFO-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000106445330 194214636 /nfs/dbraw/zinc/21/46/36/194214636.db2.gz GWLIHQZNSKYFRZ-LBPRGKRZSA-N 1 1 308.338 1.023 20 5 DDBDMO O=C1OCC[C@@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298218013 284949813 /nfs/dbraw/zinc/94/98/13/284949813.db2.gz ZWJZKOABTIJDJQ-LBPRGKRZSA-N 1 1 320.349 1.065 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414216448 532997233 /nfs/dbraw/zinc/99/72/33/532997233.db2.gz VOCBWXZCJMFMMA-LBPRGKRZSA-N 1 1 321.377 1.849 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000120023235 195082651 /nfs/dbraw/zinc/08/26/51/195082651.db2.gz KDDBSODBUJUNQN-UHFFFAOYSA-N 1 1 308.338 1.045 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285390756 285190023 /nfs/dbraw/zinc/19/00/23/285190023.db2.gz NXXJLDZYXQMSML-JSGCOSHPSA-N 1 1 320.353 1.103 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285390756 285190026 /nfs/dbraw/zinc/19/00/26/285190026.db2.gz NXXJLDZYXQMSML-JSGCOSHPSA-N 1 1 320.353 1.103 20 5 DDBDMO C[C@H](O)C[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289803001 221236540 /nfs/dbraw/zinc/23/65/40/221236540.db2.gz NBOSDIXLCXIIMJ-NSHDSACASA-N 1 1 321.333 1.425 20 5 DDBDMO C[C@H](O)C[N@@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289803001 221236543 /nfs/dbraw/zinc/23/65/43/221236543.db2.gz NBOSDIXLCXIIMJ-NSHDSACASA-N 1 1 321.333 1.425 20 5 DDBDMO CCOCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121900674 195371005 /nfs/dbraw/zinc/37/10/05/195371005.db2.gz VIGVYCGIDYAKAZ-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950688 533663031 /nfs/dbraw/zinc/66/30/31/533663031.db2.gz HZBXNAMLXDEURZ-MWLCHTKSSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950688 533663042 /nfs/dbraw/zinc/66/30/42/533663042.db2.gz HZBXNAMLXDEURZ-MWLCHTKSSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950688 533663052 /nfs/dbraw/zinc/66/30/52/533663052.db2.gz HZBXNAMLXDEURZ-MWLCHTKSSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950688 533663059 /nfs/dbraw/zinc/66/30/59/533663059.db2.gz HZBXNAMLXDEURZ-MWLCHTKSSA-N 1 1 307.354 1.325 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnccn3)C2)nc1 ZINC000568723181 304307470 /nfs/dbraw/zinc/30/74/70/304307470.db2.gz NXMVFZKXWUXZBY-NSHDSACASA-N 1 1 300.322 1.466 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnccn3)C2)nc1 ZINC000568723181 304307471 /nfs/dbraw/zinc/30/74/71/304307471.db2.gz NXMVFZKXWUXZBY-NSHDSACASA-N 1 1 300.322 1.466 20 5 DDBDMO COc1ccc(C[NH2+][C@H](C)c2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000353383567 285698776 /nfs/dbraw/zinc/69/87/76/285698776.db2.gz GBHCRJZVWKOWGW-SECBINFHSA-N 1 1 304.306 1.950 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000361002693 299790040 /nfs/dbraw/zinc/79/00/40/299790040.db2.gz PABRKPVGZBXNCH-LLVKDONJSA-N 1 1 311.386 1.500 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818212 406895130 /nfs/dbraw/zinc/89/51/30/406895130.db2.gz XMPPYHLRTSTSBT-HNNXBMFYSA-N 1 1 320.393 1.921 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000071794360 406841953 /nfs/dbraw/zinc/84/19/53/406841953.db2.gz CXIGFPVFGCSJGP-UKRRQHHQSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075612006 406936671 /nfs/dbraw/zinc/93/66/71/406936671.db2.gz QQTRBHWTYFGOKQ-YPMHNXCESA-N 1 1 305.338 1.031 20 5 DDBDMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075612006 406936674 /nfs/dbraw/zinc/93/66/74/406936674.db2.gz QQTRBHWTYFGOKQ-YPMHNXCESA-N 1 1 305.338 1.031 20 5 DDBDMO O=C1NCCN1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000052217495 407149005 /nfs/dbraw/zinc/14/90/05/407149005.db2.gz PYTINVTYODCRBW-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000055407111 407202927 /nfs/dbraw/zinc/20/29/27/407202927.db2.gz ZRXVHYRLFMPWOJ-NWDGAFQWSA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055669315 407205684 /nfs/dbraw/zinc/20/56/84/407205684.db2.gz SSQFFIGXGTYVBS-UHFFFAOYSA-N 1 1 304.350 1.466 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+](C)CC1 ZINC000102677329 407325771 /nfs/dbraw/zinc/32/57/71/407325771.db2.gz YVWFRDTVOUYCNB-LLVKDONJSA-N 1 1 317.349 1.953 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097667749 407301219 /nfs/dbraw/zinc/30/12/19/407301219.db2.gz GDHHXCFIRXVDHA-GHMZBOCLSA-N 1 1 322.365 1.133 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000108330941 407383887 /nfs/dbraw/zinc/38/38/87/407383887.db2.gz UECLASYXDNFCFX-ZDUSSCGKSA-N 1 1 323.397 1.256 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000111267856 407403732 /nfs/dbraw/zinc/40/37/32/407403732.db2.gz JSHPOGOMCWTHSP-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111316492 407407496 /nfs/dbraw/zinc/40/74/96/407407496.db2.gz PSHSSEUPGDEBAK-FKJOKYEKSA-N 1 1 319.361 1.910 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111316492 407407497 /nfs/dbraw/zinc/40/74/97/407407497.db2.gz PSHSSEUPGDEBAK-FKJOKYEKSA-N 1 1 319.361 1.910 20 5 DDBDMO CN(C(=O)CN1CC[N@@H+](C)CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000270986870 407454579 /nfs/dbraw/zinc/45/45/79/407454579.db2.gz DDOOYNNPPMMMDV-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185820205 407511883 /nfs/dbraw/zinc/51/18/83/407511883.db2.gz QTDXWVQKRDJVPU-SCZZXKLOSA-N 1 1 306.322 1.050 20 5 DDBDMO C[NH2+]C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000178972782 407679610 /nfs/dbraw/zinc/67/96/10/407679610.db2.gz GOOCAEGFULDVGC-SECBINFHSA-N 1 1 303.322 1.153 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000266999185 407712054 /nfs/dbraw/zinc/71/20/54/407712054.db2.gz CCLIRJCGHNPITN-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000266999185 407712058 /nfs/dbraw/zinc/71/20/58/407712058.db2.gz CCLIRJCGHNPITN-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171626214 407723640 /nfs/dbraw/zinc/72/36/40/407723640.db2.gz BEDVKTIRAKAEAY-CABCVRRESA-N 1 1 321.377 1.115 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134770735 407935054 /nfs/dbraw/zinc/93/50/54/407935054.db2.gz LWXZNWQRFZGFGT-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000180995979 407943807 /nfs/dbraw/zinc/94/38/07/407943807.db2.gz JVDMBFOHIQUONM-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955601 407983973 /nfs/dbraw/zinc/98/39/73/407983973.db2.gz VXTYATDEVFZRAL-IUCAKERBSA-N 1 1 303.322 1.341 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154218760 407995907 /nfs/dbraw/zinc/99/59/07/407995907.db2.gz UOCAXOXNHFMONH-OCCSQVGLSA-N 1 1 307.350 1.086 20 5 DDBDMO CCCCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000272599323 408000991 /nfs/dbraw/zinc/00/09/91/408000991.db2.gz QQZMLDXMNOLMMM-UHFFFAOYSA-N 1 1 309.366 1.951 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272732974 408011730 /nfs/dbraw/zinc/01/17/30/408011730.db2.gz BYTNESJMNKSLBU-SNVBAGLBSA-N 1 1 321.381 1.822 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136096431 408077309 /nfs/dbraw/zinc/07/73/09/408077309.db2.gz FZTWZLTUVBSEPD-LLVKDONJSA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136096431 408077314 /nfs/dbraw/zinc/07/73/14/408077314.db2.gz FZTWZLTUVBSEPD-LLVKDONJSA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136096431 408077320 /nfs/dbraw/zinc/07/73/20/408077320.db2.gz FZTWZLTUVBSEPD-LLVKDONJSA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136205214 408088247 /nfs/dbraw/zinc/08/82/47/408088247.db2.gz FSWAIRMBJUMVTD-VXGBXAGGSA-N 1 1 323.397 1.806 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCSCC1 ZINC000273170911 408091017 /nfs/dbraw/zinc/09/10/17/408091017.db2.gz OTZNHASXHUBTOZ-GFCCVEGCSA-N 1 1 312.391 1.773 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000182632363 408212822 /nfs/dbraw/zinc/21/28/22/408212822.db2.gz PAJNGSHKPKUKQY-ZDUSSCGKSA-N 1 1 321.377 1.755 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000182632363 408212824 /nfs/dbraw/zinc/21/28/24/408212824.db2.gz PAJNGSHKPKUKQY-ZDUSSCGKSA-N 1 1 321.377 1.755 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246518867 408279610 /nfs/dbraw/zinc/27/96/10/408279610.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000246518867 408279643 /nfs/dbraw/zinc/27/96/43/408279643.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 ZINC000246518867 408279649 /nfs/dbraw/zinc/27/96/49/408279649.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 1 1 319.409 1.740 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246524906 408284464 /nfs/dbraw/zinc/28/44/64/408284464.db2.gz WAWRXJKWWOFGMD-MNOVXSKESA-N 1 1 323.397 1.731 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000176189737 408303618 /nfs/dbraw/zinc/30/36/18/408303618.db2.gz WUUYBABHVWLVEO-UHFFFAOYSA-N 1 1 319.340 1.753 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1COc2ccccc2O1 ZINC000176193556 408303970 /nfs/dbraw/zinc/30/39/70/408303970.db2.gz ZDGOETREDMCHHZ-LBPRGKRZSA-N 1 1 318.333 1.563 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246634260 408307698 /nfs/dbraw/zinc/30/76/98/408307698.db2.gz FAUWCGNHJAQGEY-UWVGGRQHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246634260 408307701 /nfs/dbraw/zinc/30/77/01/408307701.db2.gz FAUWCGNHJAQGEY-UWVGGRQHSA-N 1 1 313.379 1.183 20 5 DDBDMO COC(=O)c1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176205764 408308644 /nfs/dbraw/zinc/30/86/44/408308644.db2.gz CRYRGVCEAUWTTD-UHFFFAOYSA-N 1 1 318.333 1.710 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190871333 408335073 /nfs/dbraw/zinc/33/50/73/408335073.db2.gz OVIGEHNKKJIUOL-MNOVXSKESA-N 1 1 323.349 1.102 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190871333 408335075 /nfs/dbraw/zinc/33/50/75/408335075.db2.gz OVIGEHNKKJIUOL-MNOVXSKESA-N 1 1 323.349 1.102 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246825621 408347106 /nfs/dbraw/zinc/34/71/06/408347106.db2.gz SWXZEWPEEFRXMD-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246825621 408347113 /nfs/dbraw/zinc/34/71/13/408347113.db2.gz SWXZEWPEEFRXMD-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183198481 408349706 /nfs/dbraw/zinc/34/97/06/408349706.db2.gz KUASMYUWIGSIRS-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183198481 408349711 /nfs/dbraw/zinc/34/97/11/408349711.db2.gz KUASMYUWIGSIRS-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000190936089 408343211 /nfs/dbraw/zinc/34/32/11/408343211.db2.gz HUHFHAIQEAUHPR-VHSXEESVSA-N 1 1 316.329 1.306 20 5 DDBDMO COc1cc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])cc1F ZINC000190936089 408343215 /nfs/dbraw/zinc/34/32/15/408343215.db2.gz HUHFHAIQEAUHPR-VHSXEESVSA-N 1 1 316.329 1.306 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246820917 408346835 /nfs/dbraw/zinc/34/68/35/408346835.db2.gz SNABEVJSJGQKDA-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246820917 408346842 /nfs/dbraw/zinc/34/68/42/408346842.db2.gz SNABEVJSJGQKDA-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000274660458 408486019 /nfs/dbraw/zinc/48/60/19/408486019.db2.gz YSMGRNGSUQXUFB-QWRGUYRKSA-N 1 1 306.366 1.732 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247534426 408488837 /nfs/dbraw/zinc/48/88/37/408488837.db2.gz XNRBTZVELILIHX-CMPLNLGQSA-N 1 1 306.366 1.853 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177081925 408515071 /nfs/dbraw/zinc/51/50/71/408515071.db2.gz XZISOKHRSOTQCL-WCBMZHEXSA-N 1 1 322.340 1.671 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000177420531 408610028 /nfs/dbraw/zinc/61/00/28/408610028.db2.gz XGIRREKCSLNIMM-OAHLLOKOSA-N 1 1 308.334 1.859 20 5 DDBDMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000270868123 408717455 /nfs/dbraw/zinc/71/74/55/408717455.db2.gz BBFQEKKFVOBCHC-CQSZACIVSA-N 1 1 308.382 1.927 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270913438 408739859 /nfs/dbraw/zinc/73/98/59/408739859.db2.gz HRZFPSPFSRRXKL-GFCCVEGCSA-N 1 1 319.361 1.452 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251933778 408791167 /nfs/dbraw/zinc/79/11/67/408791167.db2.gz UBUONCFZSBKOJG-IVMMDQJWSA-N 1 1 324.377 1.691 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014905 408907125 /nfs/dbraw/zinc/90/71/25/408907125.db2.gz PPOATBOMPSLUMF-DGCLKSJQSA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014905 408907128 /nfs/dbraw/zinc/90/71/28/408907128.db2.gz PPOATBOMPSLUMF-DGCLKSJQSA-N 1 1 311.407 1.951 20 5 DDBDMO C[N@@H+](C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080318 408976047 /nfs/dbraw/zinc/97/60/47/408976047.db2.gz FOFQSUXVXIFLNR-CYBMUJFWSA-N 1 1 307.394 1.875 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000277662802 408987339 /nfs/dbraw/zinc/98/73/39/408987339.db2.gz WOVVSQKJBABOKY-YPMHNXCESA-N 1 1 319.361 1.912 20 5 DDBDMO CC(=O)c1cc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000286668415 408993897 /nfs/dbraw/zinc/99/38/97/408993897.db2.gz MNNBMXQXTQIIEN-LLVKDONJSA-N 1 1 307.350 1.300 20 5 DDBDMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336547 409026705 /nfs/dbraw/zinc/02/67/05/409026705.db2.gz BCPJIDISWIIAHN-HUUCEWRRSA-N 1 1 309.341 1.952 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])n[nH]1)Cc1ccc(F)cc1 ZINC000287695534 409077492 /nfs/dbraw/zinc/07/74/92/409077492.db2.gz WXSLUDGFHPDOKY-UHFFFAOYSA-N 1 1 321.312 1.319 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](O)CC3)n2)c1 ZINC000293282626 409082094 /nfs/dbraw/zinc/08/20/94/409082094.db2.gz VMMUHFASLSIMCY-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](O)CC3)n2)c1 ZINC000293282626 409082097 /nfs/dbraw/zinc/08/20/97/409082097.db2.gz VMMUHFASLSIMCY-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000279281722 409184470 /nfs/dbraw/zinc/18/44/70/409184470.db2.gz WWTQROIHFVCQPC-OLZOCXBDSA-N 1 1 322.340 1.673 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000289190797 409230546 /nfs/dbraw/zinc/23/05/46/409230546.db2.gz IXMHNZSEULSLSI-HNNXBMFYSA-N 1 1 321.381 1.486 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000284195878 409294212 /nfs/dbraw/zinc/29/42/12/409294212.db2.gz ZFXGDLQTEGTKKE-NXEZZACHSA-N 1 1 324.356 1.871 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337173 409294297 /nfs/dbraw/zinc/29/42/97/409294297.db2.gz HNWBZZUDHJAJQV-APHBMKBZSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000280337173 409294300 /nfs/dbraw/zinc/29/43/00/409294300.db2.gz HNWBZZUDHJAJQV-APHBMKBZSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCC1 ZINC000280557876 409358849 /nfs/dbraw/zinc/35/88/49/409358849.db2.gz QYZDVEKCXQKLPP-GFCCVEGCSA-N 1 1 309.366 1.239 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@H]21 ZINC000285018806 409393514 /nfs/dbraw/zinc/39/35/14/409393514.db2.gz MRVRPDUFEFIHCA-VXGBXAGGSA-N 1 1 310.329 1.225 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295278123 409411482 /nfs/dbraw/zinc/41/14/82/409411482.db2.gz CSBJHDOGACSFBF-CYBMUJFWSA-N 1 1 310.350 1.444 20 5 DDBDMO COCCOC[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000295299180 409419638 /nfs/dbraw/zinc/41/96/38/409419638.db2.gz JXPQGKOYLOSRIS-OAHLLOKOSA-N 1 1 312.366 1.093 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000324009202 164049674 /nfs/dbraw/zinc/04/96/74/164049674.db2.gz NQLAIUFRNHSLCE-MRXNPFEDSA-N 1 1 318.377 1.804 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000295412601 409474166 /nfs/dbraw/zinc/47/41/66/409474166.db2.gz JLTZOKTUDOVGCT-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290704114 409492163 /nfs/dbraw/zinc/49/21/63/409492163.db2.gz WJXJMSMPFAAKNB-SNVBAGLBSA-N 1 1 307.354 1.375 20 5 DDBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303979083 409554727 /nfs/dbraw/zinc/55/47/27/409554727.db2.gz DMYDJBKDOQKKMM-ZIAGYGMSSA-N 1 1 305.334 1.157 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC[C@@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303979083 409554736 /nfs/dbraw/zinc/55/47/36/409554736.db2.gz DMYDJBKDOQKKMM-ZIAGYGMSSA-N 1 1 305.334 1.157 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356773804 409588972 /nfs/dbraw/zinc/58/89/72/409588972.db2.gz MLOZPHIKAUHSPH-LBPRGKRZSA-N 1 1 309.366 1.819 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858121 409670691 /nfs/dbraw/zinc/67/06/91/409670691.db2.gz UALMXNIVYYVRTN-KBPBESRZSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296858121 409670700 /nfs/dbraw/zinc/67/07/00/409670700.db2.gz UALMXNIVYYVRTN-KBPBESRZSA-N 1 1 323.349 1.401 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356913438 409716922 /nfs/dbraw/zinc/71/69/22/409716922.db2.gz YFCBZMPDAHMGLU-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356913438 409716924 /nfs/dbraw/zinc/71/69/24/409716924.db2.gz YFCBZMPDAHMGLU-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412984 409828717 /nfs/dbraw/zinc/82/87/17/409828717.db2.gz ZMTAPUSKLHXABR-GXFFZTMASA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412984 409828728 /nfs/dbraw/zinc/82/87/28/409828728.db2.gz ZMTAPUSKLHXABR-GXFFZTMASA-N 1 1 310.350 1.815 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000342706708 409831982 /nfs/dbraw/zinc/83/19/82/409831982.db2.gz ROVWMGGYPISMEF-DGCLKSJQSA-N 1 1 318.377 1.614 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332148142 409926158 /nfs/dbraw/zinc/92/61/58/409926158.db2.gz LBSPURVUKPNDPQ-UHFFFAOYSA-N 1 1 300.318 1.685 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000346657681 410062125 /nfs/dbraw/zinc/06/21/25/410062125.db2.gz LHCKZTKLSZRNRQ-RISCZKNCSA-N 1 1 308.334 1.857 20 5 DDBDMO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000351753343 410211551 /nfs/dbraw/zinc/21/15/51/410211551.db2.gz FDSJLQOFXHIFOL-RKDXNWHRSA-N 1 1 303.322 1.280 20 5 DDBDMO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393613 410154131 /nfs/dbraw/zinc/15/41/31/410154131.db2.gz KQKNBXFHDKXJQD-JKSUJKDBSA-N 1 1 321.377 1.595 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393613 410154136 /nfs/dbraw/zinc/15/41/36/410154136.db2.gz KQKNBXFHDKXJQD-JKSUJKDBSA-N 1 1 321.377 1.595 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C)CC1 ZINC000298638736 410324994 /nfs/dbraw/zinc/32/49/94/410324994.db2.gz OWLFWOPRWHEZMV-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298729439 410370248 /nfs/dbraw/zinc/37/02/48/410370248.db2.gz SEKVNJQCBGUXCF-RYUDHWBXSA-N 1 1 305.338 1.127 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000298732263 410371724 /nfs/dbraw/zinc/37/17/24/410371724.db2.gz JRWRWOWOXPAROU-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1[N+](=O)[O-] ZINC000355195842 410373036 /nfs/dbraw/zinc/37/30/36/410373036.db2.gz XSJMRQWYHIJFDK-GFCCVEGCSA-N 1 1 306.366 1.961 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1[N+](=O)[O-] ZINC000355195842 410373045 /nfs/dbraw/zinc/37/30/45/410373045.db2.gz XSJMRQWYHIJFDK-GFCCVEGCSA-N 1 1 306.366 1.961 20 5 DDBDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000351997801 410402665 /nfs/dbraw/zinc/40/26/65/410402665.db2.gz SNYMPGWFJWOWKC-YPMHNXCESA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000351997801 410402668 /nfs/dbraw/zinc/40/26/68/410402668.db2.gz SNYMPGWFJWOWKC-YPMHNXCESA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000351997801 410402672 /nfs/dbraw/zinc/40/26/72/410402672.db2.gz SNYMPGWFJWOWKC-YPMHNXCESA-N 1 1 311.407 1.951 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCO)CC1 ZINC000339826903 410486158 /nfs/dbraw/zinc/48/61/58/410486158.db2.gz COCWAUMEQQEKGN-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000343417086 410436336 /nfs/dbraw/zinc/43/63/36/410436336.db2.gz NGEUYFNLBXNWKV-NSHDSACASA-N 1 1 311.288 1.729 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299225 410698591 /nfs/dbraw/zinc/69/85/91/410698591.db2.gz MGDUOFBPHNPWIR-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299225 410698596 /nfs/dbraw/zinc/69/85/96/410698596.db2.gz MGDUOFBPHNPWIR-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299225 410698601 /nfs/dbraw/zinc/69/86/01/410698601.db2.gz MGDUOFBPHNPWIR-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555597 410727141 /nfs/dbraw/zinc/72/71/41/410727141.db2.gz KRSMRNGVPDYUGD-SNPRPXQTSA-N 1 1 308.382 1.664 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000330535695 410757183 /nfs/dbraw/zinc/75/71/83/410757183.db2.gz RZUQJUJHFXQGBS-GJZGRUSLSA-N 1 1 321.377 1.694 20 5 DDBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCCCC1 ZINC000353146758 410812413 /nfs/dbraw/zinc/81/24/13/410812413.db2.gz NAGLCKUJRSGJNO-UHFFFAOYSA-N 1 1 309.414 1.989 20 5 DDBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCCCC1 ZINC000353146758 410812420 /nfs/dbraw/zinc/81/24/20/410812420.db2.gz NAGLCKUJRSGJNO-UHFFFAOYSA-N 1 1 309.414 1.989 20 5 DDBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1CCOC ZINC000330851342 410900947 /nfs/dbraw/zinc/90/09/47/410900947.db2.gz QCILZEPHOVAINV-NSHDSACASA-N 1 1 310.354 1.106 20 5 DDBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1CCOC ZINC000330851342 410900953 /nfs/dbraw/zinc/90/09/53/410900953.db2.gz QCILZEPHOVAINV-NSHDSACASA-N 1 1 310.354 1.106 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353514418 411044174 /nfs/dbraw/zinc/04/41/74/411044174.db2.gz GRWHIUNBHZVQDY-CQSZACIVSA-N 1 1 316.361 1.922 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000331430505 411086414 /nfs/dbraw/zinc/08/64/14/411086414.db2.gz CDGQKCSYECETFG-MFKMUULPSA-N 1 1 319.361 1.816 20 5 DDBDMO COC(=O)CC1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000580317103 422917664 /nfs/dbraw/zinc/91/76/64/422917664.db2.gz MVBLSWRAWQTBNX-UHFFFAOYSA-N 1 1 312.297 1.928 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131868685 196205821 /nfs/dbraw/zinc/20/58/21/196205821.db2.gz VOWKDJLSRJCXSH-UHFFFAOYSA-N 1 1 324.356 1.101 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000133026473 196305969 /nfs/dbraw/zinc/30/59/69/196305969.db2.gz DFIMTDQAFADQER-FZMZJTMJSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000133026473 196305970 /nfs/dbraw/zinc/30/59/70/196305970.db2.gz DFIMTDQAFADQER-FZMZJTMJSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)CCC(F)(F)F ZINC000491869013 416633742 /nfs/dbraw/zinc/63/37/42/416633742.db2.gz LHRKIQIYWPFPOY-UHFFFAOYSA-N 1 1 322.291 1.075 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331825 226120228 /nfs/dbraw/zinc/12/02/28/226120228.db2.gz RXEGQPRARFJCJK-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000373805508 418461090 /nfs/dbraw/zinc/46/10/90/418461090.db2.gz ODQZJDFEPCJMAA-KBPBESRZSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000373805508 418461092 /nfs/dbraw/zinc/46/10/92/418461092.db2.gz ODQZJDFEPCJMAA-KBPBESRZSA-N 1 1 310.354 1.061 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000374019389 418484285 /nfs/dbraw/zinc/48/42/85/418484285.db2.gz SKOIFDPTAFQHBD-ZWNOBZJWSA-N 1 1 308.334 1.844 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000360797326 418519971 /nfs/dbraw/zinc/51/99/71/418519971.db2.gz BJJMNDPIWTUAAG-UHFFFAOYSA-N 1 1 315.333 1.421 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000360797326 418519973 /nfs/dbraw/zinc/51/99/73/418519973.db2.gz BJJMNDPIWTUAAG-UHFFFAOYSA-N 1 1 315.333 1.421 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192604612 418525717 /nfs/dbraw/zinc/52/57/17/418525717.db2.gz JMSIIPJKZAJAIE-GFCCVEGCSA-N 1 1 311.386 1.013 20 5 DDBDMO CCc1nn(C)c(NCCC[NH+]2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000360961408 418556724 /nfs/dbraw/zinc/55/67/24/418556724.db2.gz QJWRINQGHHXUNP-UHFFFAOYSA-N 1 1 324.429 1.330 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000192565391 222129486 /nfs/dbraw/zinc/12/94/86/222129486.db2.gz XYIRQHFMDWIRNC-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375052760 418596277 /nfs/dbraw/zinc/59/62/77/418596277.db2.gz ZLZVUUFUZYGOEC-HZMBPMFUSA-N 1 1 304.350 1.224 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000367842533 418644441 /nfs/dbraw/zinc/64/44/41/418644441.db2.gz XPKYUWFXFSWAMU-WUHRBBMRSA-N 1 1 319.361 1.400 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000367842533 418644444 /nfs/dbraw/zinc/64/44/44/418644444.db2.gz XPKYUWFXFSWAMU-WUHRBBMRSA-N 1 1 319.361 1.400 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000367870955 418650338 /nfs/dbraw/zinc/65/03/38/418650338.db2.gz YOOCTNRESIBAAX-RYUDHWBXSA-N 1 1 322.390 1.598 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000367870955 418650341 /nfs/dbraw/zinc/65/03/41/418650341.db2.gz YOOCTNRESIBAAX-RYUDHWBXSA-N 1 1 322.390 1.598 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368065798 418682652 /nfs/dbraw/zinc/68/26/52/418682652.db2.gz VDRULCUJLHOEKI-MRXNPFEDSA-N 1 1 321.377 1.874 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368065798 418682653 /nfs/dbraw/zinc/68/26/53/418682653.db2.gz VDRULCUJLHOEKI-MRXNPFEDSA-N 1 1 321.377 1.874 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368072064 418684271 /nfs/dbraw/zinc/68/42/71/418684271.db2.gz ODNKGJJCUICUSI-YPMHNXCESA-N 1 1 305.334 1.171 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586786 418687680 /nfs/dbraw/zinc/68/76/80/418687680.db2.gz UJOCKURRZLRCRE-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000371212641 418768368 /nfs/dbraw/zinc/76/83/68/418768368.db2.gz MDCIAERFIMMAFQ-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000372352675 418860570 /nfs/dbraw/zinc/86/05/70/418860570.db2.gz ZYEKAFWAMKQYQB-UONOGXRCSA-N 1 1 307.350 1.400 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372871599 418911156 /nfs/dbraw/zinc/91/11/56/418911156.db2.gz QSCUGXZZQZQJPX-TVQRCGJNSA-N 1 1 315.333 1.295 20 5 DDBDMO COC(=O)[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411912326 419477981 /nfs/dbraw/zinc/47/79/81/419477981.db2.gz VGKZXMDOVOWJLI-STQMWFEESA-N 1 1 321.377 1.692 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412031839 419574151 /nfs/dbraw/zinc/57/41/51/419574151.db2.gz GVJCZNSNDVTOCR-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000421738339 419706004 /nfs/dbraw/zinc/70/60/04/419706004.db2.gz ROUCYNXQHBUJQS-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000423619809 420101696 /nfs/dbraw/zinc/10/16/96/420101696.db2.gz VXTDHCJRDBSTCO-NSHDSACASA-N 1 1 319.296 1.244 20 5 DDBDMO COc1ccc(NC(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000415453124 420073008 /nfs/dbraw/zinc/07/30/08/420073008.db2.gz YVVMBDKUKFVXSJ-UHFFFAOYSA-N 1 1 304.253 1.319 20 5 DDBDMO CCC[C@H]1CNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308701 420195901 /nfs/dbraw/zinc/19/59/01/420195901.db2.gz NWWKLTRLBDYFCK-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[C@H]1CNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308701 420195907 /nfs/dbraw/zinc/19/59/07/420195907.db2.gz NWWKLTRLBDYFCK-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000423972648 420287450 /nfs/dbraw/zinc/28/74/50/420287450.db2.gz PQDPJHVAECWWPP-CYBMUJFWSA-N 1 1 315.333 1.115 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000441241729 420642220 /nfs/dbraw/zinc/64/22/20/420642220.db2.gz YZVOIEBLZPHMMN-OLZOCXBDSA-N 1 1 321.337 1.286 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000458159285 420642728 /nfs/dbraw/zinc/64/27/28/420642728.db2.gz DYMGIJVYVKDUTJ-LBPRGKRZSA-N 1 1 323.397 1.375 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000454790634 420925021 /nfs/dbraw/zinc/92/50/21/420925021.db2.gz CSQSASTUJPHKQR-WDEREUQCSA-N 1 1 319.365 1.388 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000561527860 421328148 /nfs/dbraw/zinc/32/81/48/421328148.db2.gz WEOSVLOZWMELPQ-LBPRGKRZSA-N 1 1 318.377 1.936 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649903 421443341 /nfs/dbraw/zinc/44/33/41/421443341.db2.gz OCLZXUWIPLSZRH-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649903 421443344 /nfs/dbraw/zinc/44/33/44/421443344.db2.gz OCLZXUWIPLSZRH-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649903 421443346 /nfs/dbraw/zinc/44/33/46/421443346.db2.gz OCLZXUWIPLSZRH-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757795 421666059 /nfs/dbraw/zinc/66/60/59/421666059.db2.gz IPIDADDNTKXNEM-WDEREUQCSA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757795 421666061 /nfs/dbraw/zinc/66/60/61/421666061.db2.gz IPIDADDNTKXNEM-WDEREUQCSA-N 1 1 313.379 1.279 20 5 DDBDMO CN1C[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000520952790 421767632 /nfs/dbraw/zinc/76/76/32/421767632.db2.gz HEWWGDFZYNKUHK-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000572313319 421776059 /nfs/dbraw/zinc/77/60/59/421776059.db2.gz KYOSWOWNWSYEAH-HNNXBMFYSA-N 1 1 319.361 1.717 20 5 DDBDMO Nc1nccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418491 422348563 /nfs/dbraw/zinc/34/85/63/422348563.db2.gz JMOKFPHYETVWSR-NEPJUHHUSA-N 1 1 319.365 1.319 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000342365433 271391447 /nfs/dbraw/zinc/39/14/47/271391447.db2.gz VYYKYQXPAUYICL-GHMZBOCLSA-N 1 1 322.365 1.979 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408144230 274330438 /nfs/dbraw/zinc/33/04/38/274330438.db2.gz HNHNOXLHBMRBGU-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408144230 274330442 /nfs/dbraw/zinc/33/04/42/274330442.db2.gz HNHNOXLHBMRBGU-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000124178769 288237912 /nfs/dbraw/zinc/23/79/12/288237912.db2.gz RXRFCYZXAHDQFT-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284896879 295254486 /nfs/dbraw/zinc/25/44/86/295254486.db2.gz HHRAINCVHLNRLZ-CABCVRRESA-N 1 1 307.350 1.513 20 5 DDBDMO CC(C)[N@H+](CCNS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000170958475 298225222 /nfs/dbraw/zinc/22/52/22/298225222.db2.gz MYVMIMHAGQNJNL-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO CC(C)[N@@H+](CCNS(C)(=O)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000170958475 298225223 /nfs/dbraw/zinc/22/52/23/298225223.db2.gz MYVMIMHAGQNJNL-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000367286107 300822330 /nfs/dbraw/zinc/82/23/30/300822330.db2.gz IJFREWFZAJCPOX-JTQLQIEISA-N 1 1 315.276 1.039 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368596591 301061189 /nfs/dbraw/zinc/06/11/89/301061189.db2.gz VMBVMCJIFIDKHT-QMTHXVAHSA-N 1 1 304.350 1.343 20 5 DDBDMO O=C1CCCCN1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002407 301256052 /nfs/dbraw/zinc/25/60/52/301256052.db2.gz OBBIOAJAFDWGJA-CYBMUJFWSA-N 1 1 321.381 1.268 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370002078 301256156 /nfs/dbraw/zinc/25/61/56/301256156.db2.gz MNOPGTLXBIGEPM-GFCCVEGCSA-N 1 1 302.338 1.461 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC000370044644 301264392 /nfs/dbraw/zinc/26/43/92/301264392.db2.gz FYPOOOUBARLADY-LLVKDONJSA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n[nH]1 ZINC000370044644 301264394 /nfs/dbraw/zinc/26/43/94/301264394.db2.gz FYPOOOUBARLADY-LLVKDONJSA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000370044644 301264396 /nfs/dbraw/zinc/26/43/96/301264396.db2.gz FYPOOOUBARLADY-LLVKDONJSA-N 1 1 304.354 1.739 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000370044644 301264398 /nfs/dbraw/zinc/26/43/98/301264398.db2.gz FYPOOOUBARLADY-LLVKDONJSA-N 1 1 304.354 1.739 20 5 DDBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370525360 301357090 /nfs/dbraw/zinc/35/70/90/301357090.db2.gz FJDNTQXYOGQUIU-HNNXBMFYSA-N 1 1 324.381 1.740 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370534660 301358930 /nfs/dbraw/zinc/35/89/30/301358930.db2.gz GJOWKVSBXJJYHL-OAHLLOKOSA-N 1 1 321.377 1.662 20 5 DDBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375860390 302006125 /nfs/dbraw/zinc/00/61/25/302006125.db2.gz MWXABWVHXUISQU-ZDUSSCGKSA-N 1 1 318.333 1.063 20 5 DDBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375860390 302006127 /nfs/dbraw/zinc/00/61/27/302006127.db2.gz MWXABWVHXUISQU-ZDUSSCGKSA-N 1 1 318.333 1.063 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378072663 302274786 /nfs/dbraw/zinc/27/47/86/302274786.db2.gz DAONHOLETDAJEZ-UHFFFAOYSA-N 1 1 317.305 1.438 20 5 DDBDMO C[NH+](C)C1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000397898375 302356833 /nfs/dbraw/zinc/35/68/33/302356833.db2.gz UFSXOGUMUZWNDE-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@H+](C)CCN1C ZINC000531970542 303268290 /nfs/dbraw/zinc/26/82/90/303268290.db2.gz CRTUHCUNKJGXHM-ZFWWWQNUSA-N 1 1 306.410 1.800 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548062252 303568562 /nfs/dbraw/zinc/56/85/62/303568562.db2.gz DLVRZRGVRJPGEO-UHFFFAOYSA-N 1 1 301.306 1.280 20 5 DDBDMO Cc1nnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000563011410 303910022 /nfs/dbraw/zinc/91/00/22/303910022.db2.gz JYQVQZAGVJDFPC-SNVBAGLBSA-N 1 1 324.362 1.284 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364072940 307041035 /nfs/dbraw/zinc/04/10/35/307041035.db2.gz PZXJKQFVHVAEJY-LSDHHAIUSA-N 1 1 319.361 1.266 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000529 307113938 /nfs/dbraw/zinc/11/39/38/307113938.db2.gz ITNSNNQZROEUJL-NEPJUHHUSA-N 1 1 309.370 1.343 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000529 307113939 /nfs/dbraw/zinc/11/39/39/307113939.db2.gz ITNSNNQZROEUJL-NEPJUHHUSA-N 1 1 309.370 1.343 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370887022 307138994 /nfs/dbraw/zinc/13/89/94/307138994.db2.gz SFTIZXPHFQAKTE-NSHDSACASA-N 1 1 321.381 1.581 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370887022 307138995 /nfs/dbraw/zinc/13/89/95/307138995.db2.gz SFTIZXPHFQAKTE-NSHDSACASA-N 1 1 321.381 1.581 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370887022 307138996 /nfs/dbraw/zinc/13/89/96/307138996.db2.gz SFTIZXPHFQAKTE-NSHDSACASA-N 1 1 321.381 1.581 20 5 DDBDMO CCOCC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105550 307178795 /nfs/dbraw/zinc/17/87/95/307178795.db2.gz AMDVVFHJZAYRGF-JSGCOSHPSA-N 1 1 312.370 1.216 20 5 DDBDMO COC(=O)c1cnc(NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000564766620 308005231 /nfs/dbraw/zinc/00/52/31/308005231.db2.gz GINVPWVZQHIYSU-LLVKDONJSA-N 1 1 322.365 1.919 20 5 DDBDMO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773013 308201848 /nfs/dbraw/zinc/20/18/48/308201848.db2.gz VNCBMWOVCGFFFK-NWDGAFQWSA-N 1 1 306.366 1.735 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000574140982 308262952 /nfs/dbraw/zinc/26/29/52/308262952.db2.gz UXSJWIYNCUQMPY-GFCCVEGCSA-N 1 1 301.306 1.105 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000576799323 308339915 /nfs/dbraw/zinc/33/99/15/308339915.db2.gz ARGGLZYNYVILTD-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000576799323 308339917 /nfs/dbraw/zinc/33/99/17/308339917.db2.gz ARGGLZYNYVILTD-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433162283 533790262 /nfs/dbraw/zinc/79/02/62/533790262.db2.gz UEBRZSPUVKBCRH-ZDUSSCGKSA-N 1 1 312.366 1.821 20 5 DDBDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000298156607 533934882 /nfs/dbraw/zinc/93/48/82/533934882.db2.gz PGDMFRSEKBFBIG-GFCCVEGCSA-N 1 1 320.349 1.052 20 5 DDBDMO COC(=O)c1cnc(NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413439419 534306904 /nfs/dbraw/zinc/30/69/04/534306904.db2.gz NOCSLFPLRKFDGF-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000459542537 534340107 /nfs/dbraw/zinc/34/01/07/534340107.db2.gz AFALGRUMNONISA-UHFFFAOYSA-N 1 1 308.382 1.772 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301958722 534426071 /nfs/dbraw/zinc/42/60/71/534426071.db2.gz LQJSMYGJTCKFMK-HNNXBMFYSA-N 1 1 318.377 1.513 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412269578 528544273 /nfs/dbraw/zinc/54/42/73/528544273.db2.gz LPAVXTDHTAXGMD-LSDHHAIUSA-N 1 1 321.377 1.129 20 5 DDBDMO CCC[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000159791420 697312597 /nfs/dbraw/zinc/31/25/97/697312597.db2.gz NZUSGTMLNJSVBV-CYBMUJFWSA-N 1 1 311.386 1.182 20 5 DDBDMO Cc1nn(C)c(C(=O)OCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000778783755 698368294 /nfs/dbraw/zinc/36/82/94/698368294.db2.gz PERAKUQKWMWKQK-UHFFFAOYSA-N 1 1 321.337 1.779 20 5 DDBDMO Cc1nn(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000779864607 698476311 /nfs/dbraw/zinc/47/63/11/698476311.db2.gz ZYTVBQBTEYSKNI-CQSZACIVSA-N 1 1 307.398 1.721 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000750876658 700253347 /nfs/dbraw/zinc/25/33/47/700253347.db2.gz ZVNNNCXYOKZXKE-UHFFFAOYSA-N 1 1 300.336 1.535 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000719003844 699297206 /nfs/dbraw/zinc/29/72/06/699297206.db2.gz ZFUJIOJXNFAUNP-GFCCVEGCSA-N 1 1 308.334 1.798 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000792873489 699720014 /nfs/dbraw/zinc/72/00/14/699720014.db2.gz TVXSQUUXMZXNNY-UHFFFAOYSA-N 1 1 308.294 1.391 20 5 DDBDMO C[C@H]1COCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000753985372 700473793 /nfs/dbraw/zinc/47/37/93/700473793.db2.gz HBVVJLHOCDDFKI-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@H]1COCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000753985372 700473795 /nfs/dbraw/zinc/47/37/95/700473795.db2.gz HBVVJLHOCDDFKI-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845466 701209227 /nfs/dbraw/zinc/20/92/27/701209227.db2.gz MWOLEGWUPHMAAY-NXEZZACHSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845466 701209229 /nfs/dbraw/zinc/20/92/29/701209229.db2.gz MWOLEGWUPHMAAY-NXEZZACHSA-N 1 1 322.321 1.668 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000771200807 701313010 /nfs/dbraw/zinc/31/30/10/701313010.db2.gz UAFKABBJIQVMAR-JTQLQIEISA-N 1 1 313.329 1.875 20 5 DDBDMO Cc1nn(CCC(=O)OCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000771952935 701338340 /nfs/dbraw/zinc/33/83/40/701338340.db2.gz WXWPWVZGYHMUQS-UHFFFAOYSA-N 1 1 321.337 1.547 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000816666761 702138436 /nfs/dbraw/zinc/13/84/36/702138436.db2.gz VJGBYJHTMGWJAC-GFCCVEGCSA-N 1 1 322.361 1.976 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812342898 702165733 /nfs/dbraw/zinc/16/57/33/702165733.db2.gz NMYWSQGKDRJOSE-NWDGAFQWSA-N 1 1 319.361 1.627 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000866218035 706652261 /nfs/dbraw/zinc/65/22/61/706652261.db2.gz KNZKIASIKWUHRJ-OAHLLOKOSA-N 1 1 320.393 1.731 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000812876672 702256736 /nfs/dbraw/zinc/25/67/36/702256736.db2.gz OGRVMWVDKNDWRN-CABCVRRESA-N 1 1 302.334 1.772 20 5 DDBDMO CC(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046556 702663022 /nfs/dbraw/zinc/66/30/22/702663022.db2.gz DCKUMLCRSMDHSE-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046556 702663024 /nfs/dbraw/zinc/66/30/24/702663024.db2.gz DCKUMLCRSMDHSE-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842045983 702663214 /nfs/dbraw/zinc/66/32/14/702663214.db2.gz NYILUWRCWLCHHY-WDEREUQCSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842045983 702663216 /nfs/dbraw/zinc/66/32/16/702663216.db2.gz NYILUWRCWLCHHY-WDEREUQCSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046640 702663500 /nfs/dbraw/zinc/66/35/00/702663500.db2.gz FTNOBBLOPYTYCA-VHSXEESVSA-N 1 1 321.337 1.022 20 5 DDBDMO COc1c(C)c[nH+]c(CCCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000842331575 702704716 /nfs/dbraw/zinc/70/47/16/702704716.db2.gz GWTPLLKKMYRCKJ-DGCLKSJQSA-N 1 1 308.334 1.848 20 5 DDBDMO CON1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846979316 703360409 /nfs/dbraw/zinc/36/04/09/703360409.db2.gz ULDVBMWNKPGING-UHFFFAOYSA-N 1 1 308.338 1.102 20 5 DDBDMO C[C@H]1C[C@H]1C(N)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000848520490 703560601 /nfs/dbraw/zinc/56/06/01/703560601.db2.gz QOUIKTOMIJYDPN-JOYOIKCWSA-N 1 1 318.333 1.638 20 5 DDBDMO COc1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000852296932 704000745 /nfs/dbraw/zinc/00/07/45/704000745.db2.gz CRKSDHATWOJTGN-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO COc1cc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)ccc1[N+](=O)[O-] ZINC000852296932 704000749 /nfs/dbraw/zinc/00/07/49/704000749.db2.gz CRKSDHATWOJTGN-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000819039573 704056663 /nfs/dbraw/zinc/05/66/63/704056663.db2.gz RWDVJMDVCPPHRG-HOCLYGCPSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000819039573 704056666 /nfs/dbraw/zinc/05/66/66/704056666.db2.gz RWDVJMDVCPPHRG-HOCLYGCPSA-N 1 1 305.378 1.702 20 5 DDBDMO COC[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870892152 704159124 /nfs/dbraw/zinc/15/91/24/704159124.db2.gz NUYCNQAQOCTLRN-IAQYHMDHSA-N 1 1 307.350 1.264 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CO1 ZINC000853798689 704317093 /nfs/dbraw/zinc/31/70/93/704317093.db2.gz HOOZZDBGQIBENK-VHSXEESVSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CO1 ZINC000853798689 704317095 /nfs/dbraw/zinc/31/70/95/704317095.db2.gz HOOZZDBGQIBENK-VHSXEESVSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832783216 706983542 /nfs/dbraw/zinc/98/35/42/706983542.db2.gz PEYFLYLBOHMJDS-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179375 705163440 /nfs/dbraw/zinc/16/34/40/705163440.db2.gz MMGGOYZBLMYHMD-JKSUJKDBSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179375 705163442 /nfs/dbraw/zinc/16/34/42/705163442.db2.gz MMGGOYZBLMYHMD-JKSUJKDBSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179375 705163444 /nfs/dbraw/zinc/16/34/44/705163444.db2.gz MMGGOYZBLMYHMD-JKSUJKDBSA-N 1 1 307.394 1.900 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848709 705202610 /nfs/dbraw/zinc/20/26/10/705202610.db2.gz GMDIGNFSLFCPRD-CHWSQXEVSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000823468833 705249640 /nfs/dbraw/zinc/24/96/40/705249640.db2.gz LIBKLMXKOFIXLQ-HUUCEWRRSA-N 1 1 317.349 1.557 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000823973430 705348162 /nfs/dbraw/zinc/34/81/62/705348162.db2.gz HXDKATVXWYGRJV-TVQRCGJNSA-N 1 1 323.353 1.018 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000823973430 705348165 /nfs/dbraw/zinc/34/81/65/705348165.db2.gz HXDKATVXWYGRJV-TVQRCGJNSA-N 1 1 323.353 1.018 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340621 705433161 /nfs/dbraw/zinc/43/31/61/705433161.db2.gz KGMBBXXQNQFZRZ-DZGCQCFKSA-N 1 1 308.334 1.861 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345110 705436673 /nfs/dbraw/zinc/43/66/73/705436673.db2.gz YWBYYBNHHFWONT-YGRLFVJLSA-N 1 1 311.338 1.199 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000824369053 705437821 /nfs/dbraw/zinc/43/78/21/705437821.db2.gz VANYXIZMURAWIG-OLZOCXBDSA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000827499358 706015063 /nfs/dbraw/zinc/01/50/63/706015063.db2.gz DLQWZTXMERXRSU-CQSZACIVSA-N 1 1 320.393 1.898 20 5 DDBDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000877714545 706186556 /nfs/dbraw/zinc/18/65/56/706186556.db2.gz NUPRNWAIOYJCKQ-OAHLLOKOSA-N 1 1 319.317 1.489 20 5 DDBDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000877714545 706186559 /nfs/dbraw/zinc/18/65/59/706186559.db2.gz NUPRNWAIOYJCKQ-OAHLLOKOSA-N 1 1 319.317 1.489 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000880169729 706899471 /nfs/dbraw/zinc/89/94/71/706899471.db2.gz ZGVRCHDNRGXRKW-AWEZNQCLSA-N 1 1 319.361 1.373 20 5 DDBDMO [NH3+]C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872149836 707303734 /nfs/dbraw/zinc/30/37/34/707303734.db2.gz RDVSDIJLSMKBSJ-GXSJLCMTSA-N 1 1 319.283 1.869 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000837189584 707594716 /nfs/dbraw/zinc/59/47/16/707594716.db2.gz JOIGWQFQYMRZBX-LBPRGKRZSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000882493751 707664658 /nfs/dbraw/zinc/66/46/58/707664658.db2.gz LFJMYHMAUWVNDM-VIFPVBQESA-N 1 1 311.313 1.567 20 5 DDBDMO Cn1nnc2c1C[C@@H](Nc1cc[nH+]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000896675050 708115360 /nfs/dbraw/zinc/11/53/60/708115360.db2.gz SYJYIQBVUZOGBD-JTQLQIEISA-N 1 1 324.344 1.663 20 5 DDBDMO Cc1cc(N2CCN(C)CC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000897096017 708228853 /nfs/dbraw/zinc/22/88/53/708228853.db2.gz YVHZTEIFESVKPE-UHFFFAOYSA-N 1 1 310.373 1.726 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897222720 708260517 /nfs/dbraw/zinc/26/05/17/708260517.db2.gz XANUFHXQVMLLHZ-STQMWFEESA-N 1 1 309.341 1.769 20 5 DDBDMO CN(Cc1cccnc1[N+](=O)[O-])CC(C)(C)C[NH+]1CCOCC1 ZINC000886082821 708695120 /nfs/dbraw/zinc/69/51/20/708695120.db2.gz BBZLKSJVBREXRQ-UHFFFAOYSA-N 1 1 322.409 1.780 20 5 DDBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000886082821 708695123 /nfs/dbraw/zinc/69/51/23/708695123.db2.gz BBZLKSJVBREXRQ-UHFFFAOYSA-N 1 1 322.409 1.780 20 5 DDBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000886082821 708695126 /nfs/dbraw/zinc/69/51/26/708695126.db2.gz BBZLKSJVBREXRQ-UHFFFAOYSA-N 1 1 322.409 1.780 20 5 DDBDMO O=C([C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CCCC1 ZINC000886205823 708714552 /nfs/dbraw/zinc/71/45/52/708714552.db2.gz AAIGAXMQZXMEET-CYBMUJFWSA-N 1 1 304.350 1.434 20 5 DDBDMO C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399067 709036600 /nfs/dbraw/zinc/03/66/00/709036600.db2.gz MBGMKGZHPLNGQO-BFQNTYOBSA-N 1 1 321.377 1.270 20 5 DDBDMO C[C@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000887403211 709037403 /nfs/dbraw/zinc/03/74/03/709037403.db2.gz RLTBAVYKORUDFK-CYBMUJFWSA-N 1 1 320.393 1.062 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890080189 709738527 /nfs/dbraw/zinc/73/85/27/709738527.db2.gz XWCQSZWPQNNDOF-UHFFFAOYSA-N 1 1 306.366 1.760 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900804826 709767571 /nfs/dbraw/zinc/76/75/71/709767571.db2.gz NNNONYGNGYBRSE-YGRLFVJLSA-N 1 1 324.356 1.098 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331562 710012531 /nfs/dbraw/zinc/01/25/31/710012531.db2.gz XTCOLYBPDLLWJQ-RWSFTLGLSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331562 710012534 /nfs/dbraw/zinc/01/25/34/710012534.db2.gz XTCOLYBPDLLWJQ-RWSFTLGLSA-N 1 1 307.350 1.227 20 5 DDBDMO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913286019 713191870 /nfs/dbraw/zinc/19/18/70/713191870.db2.gz XUXNZWFCZNPVIP-HOTGVXAUSA-N 1 1 319.361 1.714 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913295448 713194087 /nfs/dbraw/zinc/19/40/87/713194087.db2.gz UBFYWQAANJSOGT-CALCHBBNSA-N 1 1 317.389 1.938 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928435425 713194435 /nfs/dbraw/zinc/19/44/35/713194435.db2.gz GOTSLOXNZUWBCY-CABZTGNLSA-N 1 1 313.304 1.895 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000893743759 710803498 /nfs/dbraw/zinc/80/34/98/710803498.db2.gz IOQHOZZKSVJOSO-CQSZACIVSA-N 1 1 315.377 1.691 20 5 DDBDMO CCc1nn(C)c(N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000894798065 711275259 /nfs/dbraw/zinc/27/52/59/711275259.db2.gz SPSDODZHYQXBTC-GASCZTMLSA-N 1 1 307.398 1.669 20 5 DDBDMO C[N@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1CO ZINC000894883893 711307490 /nfs/dbraw/zinc/30/74/90/711307490.db2.gz BKVICEWRKUUAJK-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000895515978 711531148 /nfs/dbraw/zinc/53/11/48/711531148.db2.gz YRQDJJSKZNFNFG-JQWIXIFHSA-N 1 1 310.350 1.759 20 5 DDBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895739039 711591713 /nfs/dbraw/zinc/59/17/13/711591713.db2.gz AMOJNYWTCWUWIP-MWLCHTKSSA-N 1 1 308.338 1.671 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896524080 711738074 /nfs/dbraw/zinc/73/80/74/711738074.db2.gz SBXALVRCMHCOEE-CYBMUJFWSA-N 1 1 323.397 1.785 20 5 DDBDMO O=C(NCc1ccco1)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905052111 711921509 /nfs/dbraw/zinc/92/15/09/711921509.db2.gz LYYUVTZAJXWXKE-UHFFFAOYSA-N 1 1 303.318 1.576 20 5 DDBDMO O=[N+]([O-])CCNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000905197469 711965508 /nfs/dbraw/zinc/96/55/08/711965508.db2.gz WNYOVSONZJOSFQ-UHFFFAOYSA-N 1 1 318.421 1.585 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930100363 713755973 /nfs/dbraw/zinc/75/59/73/713755973.db2.gz SVKMPGIGTSXUDK-WWGRRREGSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)C2 ZINC000930100363 713755977 /nfs/dbraw/zinc/75/59/77/713755977.db2.gz SVKMPGIGTSXUDK-WWGRRREGSA-N 1 1 304.346 1.757 20 5 DDBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](CC[N+](=O)[O-])C2)CC1 ZINC000930179702 713773416 /nfs/dbraw/zinc/77/34/16/713773416.db2.gz OWOFCDPJKHPZGN-UHFFFAOYSA-N 1 1 313.398 1.986 20 5 DDBDMO Cc1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000931480422 714107840 /nfs/dbraw/zinc/10/78/40/714107840.db2.gz WMUDWWLAJWOEPA-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO COC1(OC)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000931641419 714147502 /nfs/dbraw/zinc/14/75/02/714147502.db2.gz FALIPGCRDOTEOH-BXUZGUMPSA-N 1 1 310.350 1.712 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000932004570 714231188 /nfs/dbraw/zinc/23/11/88/714231188.db2.gz ZGPRZMRHWXEXNJ-OCCSQVGLSA-N 1 1 308.334 1.323 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000923280333 714295859 /nfs/dbraw/zinc/29/58/59/714295859.db2.gz XAHBMQSIPGTPMW-WDEREUQCSA-N 1 1 304.350 1.486 20 5 DDBDMO CCO[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000932969618 714446326 /nfs/dbraw/zinc/44/63/26/714446326.db2.gz MTPOXRUUTSOZJD-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO CCO[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000932969617 714446450 /nfs/dbraw/zinc/44/64/50/714446450.db2.gz MTPOXRUUTSOZJD-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000933229160 714542514 /nfs/dbraw/zinc/54/25/14/714542514.db2.gz YRJIEWIWHKNGDV-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000933229160 714542517 /nfs/dbraw/zinc/54/25/17/714542517.db2.gz YRJIEWIWHKNGDV-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000933760107 714665832 /nfs/dbraw/zinc/66/58/32/714665832.db2.gz PARACBVJLIMAIW-LRDDRELGSA-N 1 1 319.361 1.561 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933902375 714697251 /nfs/dbraw/zinc/69/72/51/714697251.db2.gz ZNTPYTDCSFMBHB-UONOGXRCSA-N 1 1 308.334 1.466 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934121498 714747787 /nfs/dbraw/zinc/74/77/87/714747787.db2.gz NARZHFGRVQTBRZ-CHWSQXEVSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000934121498 714747788 /nfs/dbraw/zinc/74/77/88/714747788.db2.gz NARZHFGRVQTBRZ-CHWSQXEVSA-N 1 1 323.349 1.651 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164637376 719161172 /nfs/dbraw/zinc/16/11/72/719161172.db2.gz OKGXOHOZYHVQBG-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC001185684977 744267068 /nfs/dbraw/zinc/26/70/68/744267068.db2.gz HYFWKIGZYVDVRW-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1cc2cccnc2c2ncccc12 ZINC001186049190 744336152 /nfs/dbraw/zinc/33/61/52/744336152.db2.gz QTKSXNWMFVGQOF-CYBMUJFWSA-N 1 1 322.368 1.788 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1cc2cccnc2c2ncccc12 ZINC001186049190 744336154 /nfs/dbraw/zinc/33/61/54/744336154.db2.gz QTKSXNWMFVGQOF-CYBMUJFWSA-N 1 1 322.368 1.788 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](CO)[C@H](CCO)C3)nc2c1 ZINC001198754684 747599945 /nfs/dbraw/zinc/59/99/45/747599945.db2.gz VLPXWCDZUSVHHR-GHMZBOCLSA-N 1 1 321.333 1.159 20 5 DDBDMO O=C(N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169011893 762178005 /nfs/dbraw/zinc/17/80/05/762178005.db2.gz NGLQVFVMIOGKKA-VHSXEESVSA-N 1 1 309.288 1.138 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011992 762178866 /nfs/dbraw/zinc/17/88/66/762178866.db2.gz OMIMZTMCAYEEAZ-NAKRPEOUSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011992 762178870 /nfs/dbraw/zinc/17/88/70/762178870.db2.gz OMIMZTMCAYEEAZ-NAKRPEOUSA-N 1 1 314.279 1.769 20 5 DDBDMO CCc1ncnc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022087 762200634 /nfs/dbraw/zinc/20/06/34/762200634.db2.gz MUIQWQQEPFJXOS-OLZOCXBDSA-N 1 1 304.394 1.885 20 5 DDBDMO CCC(C)(C)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001128139825 753603350 /nfs/dbraw/zinc/60/33/50/753603350.db2.gz NFUCUTZRKQUCKE-UHFFFAOYSA-N 1 1 311.386 1.360 20 5 DDBDMO CCOc1cc(-n2[nH]c(=O)c(CC[NH3+])c2C)ccc1[N+](=O)[O-] ZINC001170344205 766276121 /nfs/dbraw/zinc/27/61/21/766276121.db2.gz JIAWZFFESJXLGQ-UHFFFAOYSA-N 1 1 306.322 1.694 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cnc([N+](=O)[O-])c(OC)c1 ZINC001170518148 767759939 /nfs/dbraw/zinc/75/99/39/767759939.db2.gz ZZDNKBHLDAUYHB-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001158569707 768735328 /nfs/dbraw/zinc/73/53/28/768735328.db2.gz VPWSRYZPWPAWBK-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO CC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001096259783 768799525 /nfs/dbraw/zinc/79/95/25/768799525.db2.gz JLSDQXFVNZGCFB-UHFFFAOYSA-N 1 1 306.366 1.161 20 5 DDBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048607874 769577610 /nfs/dbraw/zinc/57/76/10/769577610.db2.gz PBMIEXOLLVPSMV-KLHDSHLOSA-N 1 1 323.437 1.964 20 5 DDBDMO C[NH+]1CC(CNC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001159219225 771089815 /nfs/dbraw/zinc/08/98/15/771089815.db2.gz XWCXZRNAAZTRAO-UHFFFAOYSA-N 1 1 306.700 1.844 20 5 DDBDMO CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001102016411 777798343 /nfs/dbraw/zinc/79/83/43/777798343.db2.gz UOXIZOKCQQCWKB-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC001177510027 778627608 /nfs/dbraw/zinc/62/76/08/778627608.db2.gz SDFORXRTNZRHEB-UHFFFAOYSA-N 1 1 317.349 1.825 20 5 DDBDMO Cc1nc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001327720242 862411863 /nfs/dbraw/zinc/41/18/63/862411863.db2.gz CKHBGAQENQZNRB-MXWKQRLJSA-N 1 1 309.370 1.603 20 5 DDBDMO Cc1nc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001327720242 862411874 /nfs/dbraw/zinc/41/18/74/862411874.db2.gz CKHBGAQENQZNRB-MXWKQRLJSA-N 1 1 309.370 1.603 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCC[NH+]1CCOCC1 ZINC001224870032 881565679 /nfs/dbraw/zinc/56/56/79/881565679.db2.gz JMZLSUXEZNGWET-GFCCVEGCSA-N 1 1 312.370 1.227 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001157266666 863695835 /nfs/dbraw/zinc/69/58/35/863695835.db2.gz VXJIZHOIWLFAHZ-BXKDBHETSA-N 1 1 307.310 1.428 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157282396 863708550 /nfs/dbraw/zinc/70/85/50/863708550.db2.gz NBWPIYZLELCEHC-GXFFZTMASA-N 1 1 320.349 1.307 20 5 DDBDMO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1cnco1 ZINC001323508813 866652206 /nfs/dbraw/zinc/65/22/06/866652206.db2.gz PRDPAUMKTNECHR-UHFFFAOYSA-N 1 1 322.346 1.697 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001334111559 867304642 /nfs/dbraw/zinc/30/46/42/867304642.db2.gz VQFUAHYIAXTKMY-VXGBXAGGSA-N 1 1 323.397 1.336 20 5 DDBDMO COc1ncnc(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163361651 868395895 /nfs/dbraw/zinc/39/58/95/868395895.db2.gz JYHWABWIEFKTKG-QWRGUYRKSA-N 1 1 309.370 1.924 20 5 DDBDMO C[N@@H+]1CCCC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022417 868684937 /nfs/dbraw/zinc/68/49/37/868684937.db2.gz XYWIZRYWSFNJMA-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022417 868684945 /nfs/dbraw/zinc/68/49/45/868684945.db2.gz XYWIZRYWSFNJMA-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164206384 869010423 /nfs/dbraw/zinc/01/04/23/869010423.db2.gz OKRNTPXXSPAZMZ-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO C[N@@H+](CCCc1ccsc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448489 870858208 /nfs/dbraw/zinc/85/82/08/870858208.db2.gz UWPQDKPVMGSILE-CHWSQXEVSA-N 1 1 311.407 1.394 20 5 DDBDMO C[N@H+](CCCc1ccsc1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448489 870858215 /nfs/dbraw/zinc/85/82/15/870858215.db2.gz UWPQDKPVMGSILE-CHWSQXEVSA-N 1 1 311.407 1.394 20 5 DDBDMO C[N@@H+](CCCc1ccsc1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448489 870858223 /nfs/dbraw/zinc/85/82/23/870858223.db2.gz UWPQDKPVMGSILE-CHWSQXEVSA-N 1 1 311.407 1.394 20 5 DDBDMO Cc1ccc(NC(=O)c2cc(C[NH+](C)C)on2)c(N)c1[N+](=O)[O-] ZINC001304500301 871216471 /nfs/dbraw/zinc/21/64/71/871216471.db2.gz JYOSHPROHHVQSV-UHFFFAOYSA-N 1 1 319.321 1.787 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358557 871619407 /nfs/dbraw/zinc/61/94/07/871619407.db2.gz IHYNNEIVYHFRGY-GFCCVEGCSA-N 1 1 324.429 1.709 20 5 DDBDMO O=C(CCCF)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001318146950 871779715 /nfs/dbraw/zinc/77/97/15/871779715.db2.gz VSRQZHQAHIOVEH-UHFFFAOYSA-N 1 1 309.341 1.893 20 5 DDBDMO CCO[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001341939574 871904854 /nfs/dbraw/zinc/90/48/54/871904854.db2.gz PRTUVKJSCVSLRY-ZFWWWQNUSA-N 1 1 307.350 1.406 20 5 DDBDMO C[N@H+](CCCF)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC001353216135 877195018 /nfs/dbraw/zinc/19/50/18/877195018.db2.gz NJYAJHUJIZPUNB-UHFFFAOYSA-N 1 1 324.312 1.612 20 5 DDBDMO C[N@@H+](CCCF)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC001353216135 877195023 /nfs/dbraw/zinc/19/50/23/877195023.db2.gz NJYAJHUJIZPUNB-UHFFFAOYSA-N 1 1 324.312 1.612 20 5 DDBDMO C[C@H](CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001353298243 877237702 /nfs/dbraw/zinc/23/77/02/877237702.db2.gz RVQGSUCOYOXWPT-TZMCWYRMSA-N 1 1 311.382 1.264 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001354400835 877952927 /nfs/dbraw/zinc/95/29/27/877952927.db2.gz LZAATGFZRANWCD-JHJVBQTASA-N 1 1 318.377 1.707 20 5 DDBDMO C[N@@H+]1CCO[C@@H](COCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222928748 880748313 /nfs/dbraw/zinc/74/83/13/880748313.db2.gz JCDFARUKGZTEOD-LLVKDONJSA-N 1 1 307.306 1.583 20 5 DDBDMO C[N@H+]1CCO[C@@H](COCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222928748 880748322 /nfs/dbraw/zinc/74/83/22/880748322.db2.gz JCDFARUKGZTEOD-LLVKDONJSA-N 1 1 307.306 1.583 20 5 DDBDMO COC(=O)c1cccc(COC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223663451 881050251 /nfs/dbraw/zinc/05/02/51/881050251.db2.gz XIFFBRPJMFNWHA-LBPRGKRZSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cccc(COC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001223663451 881050256 /nfs/dbraw/zinc/05/02/56/881050256.db2.gz XIFFBRPJMFNWHA-LBPRGKRZSA-N 1 1 324.333 1.229 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001227696127 883136554 /nfs/dbraw/zinc/13/65/54/883136554.db2.gz KQILJZKDNQPLOD-MRCXROJRSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001227696127 883136557 /nfs/dbraw/zinc/13/65/57/883136557.db2.gz KQILJZKDNQPLOD-MRCXROJRSA-N 1 1 306.318 1.786 20 5 DDBDMO COCCC(=O)NCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001231009629 885129317 /nfs/dbraw/zinc/12/93/17/885129317.db2.gz BAPPVCOLNGXZFX-UHFFFAOYSA-N 1 1 315.395 1.631 20 5 DDBDMO COCCC(=O)NCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001231009629 885129333 /nfs/dbraw/zinc/12/93/33/885129333.db2.gz BAPPVCOLNGXZFX-UHFFFAOYSA-N 1 1 315.395 1.631 20 5 DDBDMO CCOCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231406395 885619855 /nfs/dbraw/zinc/61/98/55/885619855.db2.gz FAYQDHQBXJIXBU-UHFFFAOYSA-N 1 1 309.366 1.569 20 5 DDBDMO COC(=O)c1cnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC001233859989 887398937 /nfs/dbraw/zinc/39/89/37/887398937.db2.gz SWLJUEQDXJMDCI-GDNZZTSVSA-N 1 1 321.333 1.780 20 5 DDBDMO C[C@@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545140 896496746 /nfs/dbraw/zinc/49/67/46/896496746.db2.gz JEBJSZLTNZEBCX-XJKSGUPXSA-N 1 1 324.377 1.429 20 5 DDBDMO CCN(CC)CCNC(=[NH2+])N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550244 896498436 /nfs/dbraw/zinc/49/84/36/896498436.db2.gz GIYBPKIPBLLYBC-ZDUSSCGKSA-N 1 1 321.425 1.982 20 5 DDBDMO C[C@]1(CO)C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1O ZINC001254593352 896520462 /nfs/dbraw/zinc/52/04/62/896520462.db2.gz LILUJHRMWPUFED-BZUAXINKSA-N 1 1 306.362 1.127 20 5 DDBDMO C[C@]1(CO)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1O ZINC001254592067 896522389 /nfs/dbraw/zinc/52/23/89/896522389.db2.gz ABVXNTGSQXHNHO-BZUAXINKSA-N 1 1 306.362 1.127 20 5 DDBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600386 896525167 /nfs/dbraw/zinc/52/51/67/896525167.db2.gz PNCYLLMBLZESCU-GDBMZVCRSA-N 1 1 303.362 1.663 20 5 DDBDMO CN(C1COC1)C1C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604339 896526856 /nfs/dbraw/zinc/52/68/56/896526856.db2.gz VTGNQXZKLXHVOE-AWEZNQCLSA-N 1 1 303.362 1.077 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611166 896533655 /nfs/dbraw/zinc/53/36/55/896533655.db2.gz WPLVLYLUIDFOBV-CABCVRRESA-N 1 1 316.357 1.947 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001263996118 900864950 /nfs/dbraw/zinc/86/49/50/900864950.db2.gz STGZXTBJEIJNCO-MXAVVETBSA-N 1 1 319.361 1.085 20 5 DDBDMO O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135588 903001893 /nfs/dbraw/zinc/00/18/93/903001893.db2.gz PVGJQEHPGTVEHL-ZQTMTMAVSA-N 1 1 301.774 1.375 20 5 DDBDMO O=C(NCCC[N@H+](C/C=C\Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266135588 903001910 /nfs/dbraw/zinc/00/19/10/903001910.db2.gz PVGJQEHPGTVEHL-ZQTMTMAVSA-N 1 1 301.774 1.375 20 5 DDBDMO O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266135588 903001924 /nfs/dbraw/zinc/00/19/24/903001924.db2.gz PVGJQEHPGTVEHL-ZQTMTMAVSA-N 1 1 301.774 1.375 20 5 DDBDMO Cc1c(CC(=O)N[C@H]2C[N@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001303989922 903188416 /nfs/dbraw/zinc/18/84/16/903188416.db2.gz UMNAGWXHERRSBP-AWEZNQCLSA-N 1 1 305.378 1.902 20 5 DDBDMO O=C(NCC1([NH2+]CCc2ccccc2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001280480328 903723526 /nfs/dbraw/zinc/72/35/26/903723526.db2.gz KKJJQMJVNVIESV-HUUCEWRRSA-N 1 1 317.389 1.523 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358069429 299066365 /nfs/dbraw/zinc/06/63/65/299066365.db2.gz STLAZIRADNYYRG-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278480047 214179786 /nfs/dbraw/zinc/17/97/86/214179786.db2.gz JCVMUMABHOFJFH-UHFFFAOYSA-N 1 1 317.305 1.968 20 5 DDBDMO C[N@@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278480047 214179787 /nfs/dbraw/zinc/17/97/87/214179787.db2.gz JCVMUMABHOFJFH-UHFFFAOYSA-N 1 1 317.305 1.968 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571659 214245911 /nfs/dbraw/zinc/24/59/11/214245911.db2.gz KNSRYTXLAWUNOK-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571659 214245914 /nfs/dbraw/zinc/24/59/14/214245914.db2.gz KNSRYTXLAWUNOK-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571659 214245917 /nfs/dbraw/zinc/24/59/17/214245917.db2.gz KNSRYTXLAWUNOK-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305756639 231039756 /nfs/dbraw/zinc/03/97/56/231039756.db2.gz CTVDNZOZQZCBST-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305756639 231039758 /nfs/dbraw/zinc/03/97/58/231039758.db2.gz CTVDNZOZQZCBST-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO CCn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000278748139 214372655 /nfs/dbraw/zinc/37/26/55/214372655.db2.gz RWGKYXGSRGATJE-UHFFFAOYSA-N 1 1 300.322 1.977 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197630 529444192 /nfs/dbraw/zinc/44/41/92/529444192.db2.gz YJPOVWAXXCQHNF-HOCLYGCPSA-N 1 1 319.361 1.547 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](CCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000452131839 231314409 /nfs/dbraw/zinc/31/44/09/231314409.db2.gz PUHIERQIDZLXMO-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](CCCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000452131839 231314410 /nfs/dbraw/zinc/31/44/10/231314410.db2.gz PUHIERQIDZLXMO-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000305358541 529984261 /nfs/dbraw/zinc/98/42/61/529984261.db2.gz SOPUEKVHUQRGKX-JSGCOSHPSA-N 1 1 307.350 1.287 20 5 DDBDMO C[NH+]1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302233151 530072180 /nfs/dbraw/zinc/07/21/80/530072180.db2.gz CZOMYSUHCIPIMJ-UHFFFAOYSA-N 1 1 308.386 1.213 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000140016504 186025377 /nfs/dbraw/zinc/02/53/77/186025377.db2.gz FJANDAFARPFFFA-SNVBAGLBSA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000140016504 186025378 /nfs/dbraw/zinc/02/53/78/186025378.db2.gz FJANDAFARPFFFA-SNVBAGLBSA-N 1 1 313.379 1.504 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](O)C3)o2)c1 ZINC000152473120 186076715 /nfs/dbraw/zinc/07/67/15/186076715.db2.gz CVIKAMVRXSSHBD-CYBMUJFWSA-N 1 1 303.318 1.859 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155698634 186104363 /nfs/dbraw/zinc/10/43/63/186104363.db2.gz QIDCXTLBTPEKTI-JSGCOSHPSA-N 1 1 305.378 1.982 20 5 DDBDMO CC(C)(O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189934619 186251752 /nfs/dbraw/zinc/25/17/52/186251752.db2.gz YZTHNLHPNBXLLJ-UHFFFAOYSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189934619 186251754 /nfs/dbraw/zinc/25/17/54/186251754.db2.gz YZTHNLHPNBXLLJ-UHFFFAOYSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1OC ZINC000265975346 186344530 /nfs/dbraw/zinc/34/45/30/186344530.db2.gz XBFJPTWTYRPIPH-LLVKDONJSA-N 1 1 323.349 1.436 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172293473 198072755 /nfs/dbraw/zinc/07/27/55/198072755.db2.gz SWXXYFDCEJVILC-INIZCTEOSA-N 1 1 324.377 1.837 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000021847331 352174955 /nfs/dbraw/zinc/17/49/55/352174955.db2.gz BARQAGDLSDRVSH-SNVBAGLBSA-N 1 1 320.349 1.119 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000029587338 352241390 /nfs/dbraw/zinc/24/13/90/352241390.db2.gz WTPOSHLPIUESFU-UHFFFAOYSA-N 1 1 310.329 1.356 20 5 DDBDMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000045726314 352420507 /nfs/dbraw/zinc/42/05/07/352420507.db2.gz JFIRFXOMVBYNHX-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000045726314 352420511 /nfs/dbraw/zinc/42/05/11/352420511.db2.gz JFIRFXOMVBYNHX-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996830 352475553 /nfs/dbraw/zinc/47/55/53/352475553.db2.gz UWLQOFPMZNTXFY-ZIAGYGMSSA-N 1 1 304.350 1.655 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000047268318 352488724 /nfs/dbraw/zinc/48/87/24/352488724.db2.gz JNTCTNCQJGDGEI-LSDHHAIUSA-N 1 1 303.362 1.432 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000067942915 353076026 /nfs/dbraw/zinc/07/60/26/353076026.db2.gz DWBIDCXROYLCKB-UHFFFAOYSA-N 1 1 324.356 1.698 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072714448 353210641 /nfs/dbraw/zinc/21/06/41/353210641.db2.gz JRSVQZPDZCJNEG-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174752882 198380289 /nfs/dbraw/zinc/38/02/89/198380289.db2.gz JXKPKNZWVOZHHW-JQWIXIFHSA-N 1 1 310.379 1.907 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093333211 353895246 /nfs/dbraw/zinc/89/52/46/353895246.db2.gz RFDFFFVWCCRSRD-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000108297130 353948527 /nfs/dbraw/zinc/94/85/27/353948527.db2.gz AKIFPYRRZNTZAA-LLVKDONJSA-N 1 1 322.340 1.530 20 5 DDBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CC2)CC1 ZINC000124763344 354042080 /nfs/dbraw/zinc/04/20/80/354042080.db2.gz DOGCXTYFVSLMTK-UHFFFAOYSA-N 1 1 315.333 1.391 20 5 DDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000139008275 354124756 /nfs/dbraw/zinc/12/47/56/354124756.db2.gz MGUNDAUQICQWRY-CQSZACIVSA-N 1 1 304.350 1.584 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357228402 291022025 /nfs/dbraw/zinc/02/20/25/291022025.db2.gz XFPYEENAMHGNRT-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000156826685 354222572 /nfs/dbraw/zinc/22/25/72/354222572.db2.gz SHGWGBVPXFSMOK-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000156826685 354222575 /nfs/dbraw/zinc/22/25/75/354222575.db2.gz SHGWGBVPXFSMOK-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000293114305 354454183 /nfs/dbraw/zinc/45/41/83/354454183.db2.gz LVKSBXOYNPTBIA-UKRRQHHQSA-N 1 1 324.377 1.429 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000314680319 354487964 /nfs/dbraw/zinc/48/79/64/354487964.db2.gz KEDSNWKMENDEPL-LLVKDONJSA-N 1 1 302.302 1.052 20 5 DDBDMO O=C(C[N@H+]1CCCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000318623160 354516114 /nfs/dbraw/zinc/51/61/14/354516114.db2.gz PHQBXLAIUJFBHY-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(C[N@@H+]1CCCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000318623160 354516115 /nfs/dbraw/zinc/51/61/15/354516115.db2.gz PHQBXLAIUJFBHY-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590010371 355039088 /nfs/dbraw/zinc/03/90/88/355039088.db2.gz CIDCVFWUCWCRRI-IUODEOHRSA-N 1 1 318.377 1.478 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590047000 355043609 /nfs/dbraw/zinc/04/36/09/355043609.db2.gz SCONKIOSKQMRRM-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590443742 355097691 /nfs/dbraw/zinc/09/76/91/355097691.db2.gz GYHRDEWGBRZYHY-GWCFXTLKSA-N 1 1 305.334 1.380 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590447420 355099812 /nfs/dbraw/zinc/09/98/12/355099812.db2.gz XDCSNEKQAIPBIM-JQWIXIFHSA-N 1 1 305.334 1.380 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505194 355322244 /nfs/dbraw/zinc/32/22/44/355322244.db2.gz DOKXVNXAAOMFOI-VXGBXAGGSA-N 1 1 322.361 1.816 20 5 DDBDMO Cc1nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000591729086 355373647 /nfs/dbraw/zinc/37/36/47/355373647.db2.gz KKRBLBGUZXBWFZ-ZDUSSCGKSA-N 1 1 323.374 1.889 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592330543 355560509 /nfs/dbraw/zinc/56/05/09/355560509.db2.gz BZQYOKKRKFFVJL-BXKDBHETSA-N 1 1 317.349 1.671 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592830344 355706201 /nfs/dbraw/zinc/70/62/01/355706201.db2.gz DJJVALJBIXTAHP-GFCCVEGCSA-N 1 1 306.366 1.855 20 5 DDBDMO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592832131 355707014 /nfs/dbraw/zinc/70/70/14/355707014.db2.gz QUGPRRLZWWNPNH-CQSZACIVSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[C@@H]1COC(C)(C)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056742 355782897 /nfs/dbraw/zinc/78/28/97/355782897.db2.gz OLCVDUASFLFFDJ-YPMHNXCESA-N 1 1 312.370 1.042 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)CCO ZINC000593108164 355801195 /nfs/dbraw/zinc/80/11/95/355801195.db2.gz UNHPRRAIAGDRHK-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593503319 355905655 /nfs/dbraw/zinc/90/56/55/355905655.db2.gz HKXPMRFCSITILV-GFCCVEGCSA-N 1 1 314.345 1.398 20 5 DDBDMO CN1CC[NH+](CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454899 355890909 /nfs/dbraw/zinc/89/09/09/355890909.db2.gz MEWVSKLPCOEMMF-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO O=[N+]([O-])c1cccc(-n2cc(C[N@H+]3CCC[C@H]3CO)nn2)c1 ZINC000594639845 356269336 /nfs/dbraw/zinc/26/93/36/356269336.db2.gz FQPYKJNERSWXCP-AWEZNQCLSA-N 1 1 303.322 1.132 20 5 DDBDMO O=[N+]([O-])c1cccc(-n2cc(C[N@@H+]3CCC[C@H]3CO)nn2)c1 ZINC000594639845 356269340 /nfs/dbraw/zinc/26/93/40/356269340.db2.gz FQPYKJNERSWXCP-AWEZNQCLSA-N 1 1 303.322 1.132 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731035 356300170 /nfs/dbraw/zinc/30/01/70/356300170.db2.gz DLUUJTIZOUOAJE-NSHDSACASA-N 1 1 305.338 1.166 20 5 DDBDMO CCC[N@H+]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990796 356369385 /nfs/dbraw/zinc/36/93/85/356369385.db2.gz AITYRKXSKDFWNK-ZDUSSCGKSA-N 1 1 321.377 1.940 20 5 DDBDMO CCCN1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594990796 356369387 /nfs/dbraw/zinc/36/93/87/356369387.db2.gz AITYRKXSKDFWNK-ZDUSSCGKSA-N 1 1 321.377 1.940 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000595032293 356374372 /nfs/dbraw/zinc/37/43/72/356374372.db2.gz MCVGCLPUDOIYEC-NHYWBVRUSA-N 1 1 309.366 1.321 20 5 DDBDMO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000595355725 356461907 /nfs/dbraw/zinc/46/19/07/356461907.db2.gz QPCNSTOIFMFHSH-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000595355725 356461910 /nfs/dbraw/zinc/46/19/10/356461910.db2.gz QPCNSTOIFMFHSH-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406331 356481746 /nfs/dbraw/zinc/48/17/46/356481746.db2.gz BXHCMZIXAODAHS-QWRGUYRKSA-N 1 1 308.338 1.382 20 5 DDBDMO CC1(C)C[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CO1 ZINC000595524526 356533199 /nfs/dbraw/zinc/53/31/99/356533199.db2.gz WTMGUVQNOSQXRR-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779614 356650121 /nfs/dbraw/zinc/65/01/21/356650121.db2.gz DQSQXWLZBTVCHD-MNOVXSKESA-N 1 1 307.350 1.693 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779614 356650123 /nfs/dbraw/zinc/65/01/23/356650123.db2.gz DQSQXWLZBTVCHD-MNOVXSKESA-N 1 1 307.350 1.693 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1[N+](=O)[O-] ZINC000595972445 356730441 /nfs/dbraw/zinc/73/04/41/356730441.db2.gz BZGATCWMROUGOH-MWLCHTKSSA-N 1 1 309.370 1.606 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596136093 356786385 /nfs/dbraw/zinc/78/63/85/356786385.db2.gz HCUIDCOHBPWMAQ-SMDDNHRTSA-N 1 1 320.393 1.860 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000597713682 357298249 /nfs/dbraw/zinc/29/82/49/357298249.db2.gz FOKQDVSBFNBCEX-MRXNPFEDSA-N 1 1 318.377 1.856 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597856855 357360356 /nfs/dbraw/zinc/36/03/56/357360356.db2.gz BJQOLYIXFJQOTR-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000598341605 357544624 /nfs/dbraw/zinc/54/46/24/357544624.db2.gz DLSDZXKLYOUJAZ-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598599434 357648686 /nfs/dbraw/zinc/64/86/86/357648686.db2.gz OCIOIOVKVWRQLK-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598599434 357648690 /nfs/dbraw/zinc/64/86/90/357648690.db2.gz OCIOIOVKVWRQLK-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc(S(=O)(=O)N(C)Cc2cnc[nH]2)c(C)c1[N+](=O)[O-] ZINC000598613701 357653495 /nfs/dbraw/zinc/65/34/95/357653495.db2.gz CMTOHELIJZEOID-UHFFFAOYSA-N 1 1 324.362 1.755 20 5 DDBDMO COc1nc(C)cc(C)c1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000598649348 357670332 /nfs/dbraw/zinc/67/03/32/357670332.db2.gz NXNRSXTVVAAKEJ-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000598649348 357670336 /nfs/dbraw/zinc/67/03/36/357670336.db2.gz NXNRSXTVVAAKEJ-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO O=c1[nH]cccc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599009515 357792847 /nfs/dbraw/zinc/79/28/47/357792847.db2.gz YYHOLERYEGQXPM-UHFFFAOYSA-N 1 1 317.301 1.756 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000599095298 357814359 /nfs/dbraw/zinc/81/43/59/357814359.db2.gz DIQQNUKKSKIKJG-CYBMUJFWSA-N 1 1 314.345 1.398 20 5 DDBDMO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000599132125 357825102 /nfs/dbraw/zinc/82/51/02/357825102.db2.gz XWHMXONGCCPPFF-INIZCTEOSA-N 1 1 321.377 1.623 20 5 DDBDMO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000599132125 357825104 /nfs/dbraw/zinc/82/51/04/357825104.db2.gz XWHMXONGCCPPFF-INIZCTEOSA-N 1 1 321.377 1.623 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673861 358019474 /nfs/dbraw/zinc/01/94/74/358019474.db2.gz UMVSMCHSTQPNLN-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCOCC2)C1 ZINC000600068909 358114121 /nfs/dbraw/zinc/11/41/21/358114121.db2.gz MLOCCRCSTFHRNV-UHFFFAOYSA-N 1 1 319.361 1.117 20 5 DDBDMO Cc1cc(C(=O)NC2CC([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000600069335 358114810 /nfs/dbraw/zinc/11/48/10/358114810.db2.gz RCNQFSCZQBELKI-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474007 358234920 /nfs/dbraw/zinc/23/49/20/358234920.db2.gz WAYNTESQMBPCSP-LLVKDONJSA-N 1 1 307.354 1.373 20 5 DDBDMO C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(=O)NCCF ZINC000601162228 358427327 /nfs/dbraw/zinc/42/73/27/358427327.db2.gz KMQCQKYIGYDIDV-SECBINFHSA-N 1 1 306.297 1.451 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](O)[C@@H](CO)C3)c2c1 ZINC000601175513 358433610 /nfs/dbraw/zinc/43/36/10/358433610.db2.gz ICHDYARWBKHATG-MEBBXXQBSA-N 1 1 303.318 1.323 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000602778111 359184793 /nfs/dbraw/zinc/18/47/93/359184793.db2.gz BHMOQCBQHHDSJX-UHFFFAOYSA-N 1 1 308.382 1.992 20 5 DDBDMO Cn1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c([N+](=O)[O-])n1 ZINC000602725251 359151758 /nfs/dbraw/zinc/15/17/58/359151758.db2.gz KOQVRPAZNKLQLG-UHFFFAOYSA-N 1 1 314.349 1.554 20 5 DDBDMO Cn1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c([N+](=O)[O-])n1 ZINC000602725251 359151759 /nfs/dbraw/zinc/15/17/59/359151759.db2.gz KOQVRPAZNKLQLG-UHFFFAOYSA-N 1 1 314.349 1.554 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000602795557 359198293 /nfs/dbraw/zinc/19/82/93/359198293.db2.gz MMLKLIFRRKOUJD-HNNXBMFYSA-N 1 1 316.361 1.691 20 5 DDBDMO Cn1cc([C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000602806014 359204093 /nfs/dbraw/zinc/20/40/93/359204093.db2.gz RKFCKJABCGFTSC-GFCCVEGCSA-N 1 1 306.370 1.939 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824935 359218331 /nfs/dbraw/zinc/21/83/31/359218331.db2.gz FTCUBGLUAXIOBJ-ZDUSSCGKSA-N 1 1 323.397 1.480 20 5 DDBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCn4c(C)ncc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000602829545 359220994 /nfs/dbraw/zinc/22/09/94/359220994.db2.gz LKQKWCGMQAZJOW-ZCRGAIPPSA-N 1 1 306.366 1.455 20 5 DDBDMO C[C@](CO)(NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963016 359326030 /nfs/dbraw/zinc/32/60/30/359326030.db2.gz ROIRTBUMUCAAPI-MRXNPFEDSA-N 1 1 307.394 1.878 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@]4(O)C3)co2)cc1 ZINC000603085408 359394043 /nfs/dbraw/zinc/39/40/43/359394043.db2.gz GCFHPCYFOGGDFM-NHYWBVRUSA-N 1 1 301.302 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)co2)cc1 ZINC000603085408 359394044 /nfs/dbraw/zinc/39/40/44/359394044.db2.gz GCFHPCYFOGGDFM-NHYWBVRUSA-N 1 1 301.302 1.816 20 5 DDBDMO CC1(C)[C@H](Nc2ncc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000603400423 359616556 /nfs/dbraw/zinc/61/65/56/359616556.db2.gz XBEXQESDPOCIIO-NEPJUHHUSA-N 1 1 307.354 1.296 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186861184 200023705 /nfs/dbraw/zinc/02/37/05/200023705.db2.gz OWIIRDVAXMTBFR-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186861184 200023706 /nfs/dbraw/zinc/02/37/06/200023706.db2.gz OWIIRDVAXMTBFR-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO Cn1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603428645 359635085 /nfs/dbraw/zinc/63/50/85/359635085.db2.gz KUPMIBYDHRBWCQ-ZDUSSCGKSA-N 1 1 307.398 1.540 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000604523830 359761050 /nfs/dbraw/zinc/76/10/50/359761050.db2.gz ULMVPSWUHPUPPY-UHFFFAOYSA-N 1 1 303.322 1.599 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000604543996 359763734 /nfs/dbraw/zinc/76/37/34/359763734.db2.gz FJDTYCWNTWVAHV-CYBMUJFWSA-N 1 1 320.393 1.853 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383577 360303032 /nfs/dbraw/zinc/30/30/32/360303032.db2.gz VLZPNYQKZXMQQG-CYBMUJFWSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)CO ZINC000609894932 360362456 /nfs/dbraw/zinc/36/24/56/360362456.db2.gz PCPPFRXPJSEGGH-UHFFFAOYSA-N 1 1 323.349 1.596 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000610664358 360494756 /nfs/dbraw/zinc/49/47/56/360494756.db2.gz GYZZDAJPZSHTCP-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000611408035 360712557 /nfs/dbraw/zinc/71/25/57/360712557.db2.gz GADOGLGGRQTVMG-GFCCVEGCSA-N 1 1 306.366 1.019 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000611409206 360713377 /nfs/dbraw/zinc/71/33/77/360713377.db2.gz KJJMGUNRHZTBCG-CALCHBBNSA-N 1 1 317.389 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000611409206 360713382 /nfs/dbraw/zinc/71/33/82/360713382.db2.gz KJJMGUNRHZTBCG-CALCHBBNSA-N 1 1 317.389 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000611409206 360713388 /nfs/dbraw/zinc/71/33/88/360713388.db2.gz KJJMGUNRHZTBCG-CALCHBBNSA-N 1 1 317.389 1.816 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000611409206 360713394 /nfs/dbraw/zinc/71/33/94/360713394.db2.gz KJJMGUNRHZTBCG-CALCHBBNSA-N 1 1 317.389 1.816 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000193321978 201028961 /nfs/dbraw/zinc/02/89/61/201028961.db2.gz HUBAPWKLWLNPRY-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO Cc1c(CC(=O)NCC2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000271875893 209288838 /nfs/dbraw/zinc/28/88/38/209288838.db2.gz MHSUMABSKCCOAB-UHFFFAOYSA-N 1 1 303.362 1.824 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000619566958 364063854 /nfs/dbraw/zinc/06/38/54/364063854.db2.gz CUDBQUSFACCPNA-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275043823 212090619 /nfs/dbraw/zinc/09/06/19/212090619.db2.gz YMCJDXKWXPGWCZ-JTQLQIEISA-N 1 1 300.318 1.797 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275043823 212090620 /nfs/dbraw/zinc/09/06/20/212090620.db2.gz YMCJDXKWXPGWCZ-JTQLQIEISA-N 1 1 300.318 1.797 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264990695 204328003 /nfs/dbraw/zinc/32/80/03/204328003.db2.gz JRZYXSUNHLXCIC-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265032571 204356974 /nfs/dbraw/zinc/35/69/74/204356974.db2.gz XOXVZKJKCPBUIV-NSHDSACASA-N 1 1 309.370 1.621 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1nncs1)c1ccccc1[N+](=O)[O-] ZINC000271726009 209160020 /nfs/dbraw/zinc/16/00/20/209160020.db2.gz LYAXHKWGIATAND-QMMMGPOBSA-N 1 1 307.335 1.736 20 5 DDBDMO CC(C)[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200778 284308362 /nfs/dbraw/zinc/30/83/62/284308362.db2.gz JOUNYNDRUJWCDV-GOEBONIOSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200778 284308366 /nfs/dbraw/zinc/30/83/66/284308366.db2.gz JOUNYNDRUJWCDV-GOEBONIOSA-N 1 1 324.377 1.691 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000266185631 205167299 /nfs/dbraw/zinc/16/72/99/205167299.db2.gz CWNDUMWKTNONQB-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000266185631 205167300 /nfs/dbraw/zinc/16/73/00/205167300.db2.gz CWNDUMWKTNONQB-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@@H](C)O ZINC000266309705 205255531 /nfs/dbraw/zinc/25/55/31/205255531.db2.gz DIKFHRDHFWDIDC-CHWSQXEVSA-N 1 1 308.382 1.580 20 5 DDBDMO Cc1ccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000284432073 218024630 /nfs/dbraw/zinc/02/46/30/218024630.db2.gz SBADETLVKFJRMB-UONOGXRCSA-N 1 1 307.394 1.790 20 5 DDBDMO O=C(CC[N@@H+]1CCn2cnnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000105879309 194154909 /nfs/dbraw/zinc/15/49/09/194154909.db2.gz ZCBLZORFVVJMJK-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(CC[N@H+]1CCn2cnnc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000105879309 194154911 /nfs/dbraw/zinc/15/49/11/194154911.db2.gz ZCBLZORFVVJMJK-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110993483 194378967 /nfs/dbraw/zinc/37/89/67/194378967.db2.gz MOQSWZAKBIBYSD-GFCCVEGCSA-N 1 1 323.397 1.517 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110994214 194379574 /nfs/dbraw/zinc/37/95/74/194379574.db2.gz QWOLEIHLDBJRKO-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO Cc1ccncc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000340515918 251094062 /nfs/dbraw/zinc/09/40/62/251094062.db2.gz HEFLWVVFHUCITF-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000340859523 251247400 /nfs/dbraw/zinc/24/74/00/251247400.db2.gz AWDODEZJQVPUMY-LLVKDONJSA-N 1 1 311.386 1.013 20 5 DDBDMO CC[C@@]1(C)COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871831 251254080 /nfs/dbraw/zinc/25/40/80/251254080.db2.gz CXSDYYZHWCYEMM-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871831 251254082 /nfs/dbraw/zinc/25/40/82/251254082.db2.gz CXSDYYZHWCYEMM-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C1OCC[C@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298218010 284953573 /nfs/dbraw/zinc/95/35/73/284953573.db2.gz ZWJZKOABTIJDJQ-GFCCVEGCSA-N 1 1 320.349 1.065 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000486955869 285106894 /nfs/dbraw/zinc/10/68/94/285106894.db2.gz MDKIUHFPLHVWCB-CYBMUJFWSA-N 1 1 315.333 1.929 20 5 DDBDMO COCCCNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571842 285149069 /nfs/dbraw/zinc/14/90/69/285149069.db2.gz ZNYMZOJAPRSOJY-ZDUSSCGKSA-N 1 1 323.393 1.610 20 5 DDBDMO COCCCNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571842 285149073 /nfs/dbraw/zinc/14/90/73/285149073.db2.gz ZNYMZOJAPRSOJY-ZDUSSCGKSA-N 1 1 323.393 1.610 20 5 DDBDMO C[N@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1CCC[C@@H]1O ZINC000352668262 285211206 /nfs/dbraw/zinc/21/12/06/285211206.db2.gz QQJFICOFDACSCV-ZNMIVQPWSA-N 1 1 319.361 1.545 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000294710135 224184872 /nfs/dbraw/zinc/18/48/72/224184872.db2.gz BLJBJPPVTQTAMZ-SZTZYQKNSA-N 1 1 307.325 1.768 20 5 DDBDMO C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC001120489016 781980084 /nfs/dbraw/zinc/98/00/84/781980084.db2.gz MEGIXRQYSVWZEM-CHWSQXEVSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])CN(C)C ZINC001120489016 781980088 /nfs/dbraw/zinc/98/00/88/781980088.db2.gz MEGIXRQYSVWZEM-CHWSQXEVSA-N 1 1 311.382 1.122 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000068127854 406617263 /nfs/dbraw/zinc/61/72/63/406617263.db2.gz RHEHVWMHXDZOMU-UHFFFAOYSA-N 1 1 306.366 1.561 20 5 DDBDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029845363 406927853 /nfs/dbraw/zinc/92/78/53/406927853.db2.gz UIKWTLPFAQOLSN-UHFFFAOYSA-N 1 1 320.393 1.191 20 5 DDBDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029845363 406927855 /nfs/dbraw/zinc/92/78/55/406927855.db2.gz UIKWTLPFAQOLSN-UHFFFAOYSA-N 1 1 320.393 1.191 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000075953145 406947568 /nfs/dbraw/zinc/94/75/68/406947568.db2.gz VHEQOXDIMDCIKB-CQSZACIVSA-N 1 1 324.377 1.959 20 5 DDBDMO CCCC[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000079982974 407067272 /nfs/dbraw/zinc/06/72/72/407067272.db2.gz BKFDMJCLUAIIOV-UHFFFAOYSA-N 1 1 321.377 1.578 20 5 DDBDMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000054942811 407191000 /nfs/dbraw/zinc/19/10/00/407191000.db2.gz KTPHMYPUKUMJCI-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332300 407321556 /nfs/dbraw/zinc/32/15/56/407321556.db2.gz VKHAWOBRMHBUEZ-GFCCVEGCSA-N 1 1 323.397 1.375 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000123361388 407326888 /nfs/dbraw/zinc/32/68/88/407326888.db2.gz NLBNAQXTZWUNSH-JTQLQIEISA-N 1 1 321.337 1.262 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)cc1[N+](=O)[O-] ZINC000067413312 407273326 /nfs/dbraw/zinc/27/33/26/407273326.db2.gz VQMCARDKTQOSFQ-CQSZACIVSA-N 1 1 321.377 1.952 20 5 DDBDMO CC(C)[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170695029 407477612 /nfs/dbraw/zinc/47/76/12/407477612.db2.gz OBFAYWBDEZXTAJ-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CC(C)[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170695029 407477616 /nfs/dbraw/zinc/47/76/16/407477616.db2.gz OBFAYWBDEZXTAJ-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1CCOC ZINC000114709540 407603487 /nfs/dbraw/zinc/60/34/87/407603487.db2.gz DWLIASOEEWXZNS-GFCCVEGCSA-N 1 1 311.386 1.184 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171199284 407627737 /nfs/dbraw/zinc/62/77/37/407627737.db2.gz WPBRHQNSJOCWDS-LBPRGKRZSA-N 1 1 324.381 1.533 20 5 DDBDMO CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000178891380 407644339 /nfs/dbraw/zinc/64/43/39/407644339.db2.gz NTLIJMQGVCYXMO-LLVKDONJSA-N 1 1 317.349 1.685 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189486491 408032496 /nfs/dbraw/zinc/03/24/96/408032496.db2.gz VQEKHYYIBLFFSD-NEPJUHHUSA-N 1 1 320.349 1.394 20 5 DDBDMO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000135854328 408058068 /nfs/dbraw/zinc/05/80/68/408058068.db2.gz NCEZOILUWMPDMC-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000135854328 408058073 /nfs/dbraw/zinc/05/80/73/408058073.db2.gz NCEZOILUWMPDMC-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(CO)CC1 ZINC000190011676 408145149 /nfs/dbraw/zinc/14/51/49/408145149.db2.gz DZRAXJRNFNWLPI-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(CO)CC1 ZINC000190011676 408145155 /nfs/dbraw/zinc/14/51/55/408145155.db2.gz DZRAXJRNFNWLPI-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155339444 408156345 /nfs/dbraw/zinc/15/63/45/408156345.db2.gz XZVMHIZQSMTWGO-HZMBPMFUSA-N 1 1 306.366 1.757 20 5 DDBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)CC1 ZINC000150794259 408202419 /nfs/dbraw/zinc/20/24/19/408202419.db2.gz PNSAVYVBXLQJAL-AWEZNQCLSA-N 1 1 319.409 1.514 20 5 DDBDMO CC(C)c1[nH+]ccn1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000156992466 408284105 /nfs/dbraw/zinc/28/41/05/408284105.db2.gz YDLUCOAHLCARIA-UHFFFAOYSA-N 1 1 320.353 1.318 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H](C)[NH+]1CCOCC1 ZINC000264187217 408395749 /nfs/dbraw/zinc/39/57/49/408395749.db2.gz BVPFWGWOYKKRHJ-NXEZZACHSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177052884 408508790 /nfs/dbraw/zinc/50/87/90/408508790.db2.gz MAQJNIZZMIJFJP-YPMHNXCESA-N 1 1 303.362 1.879 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177131078 408527364 /nfs/dbraw/zinc/52/73/64/408527364.db2.gz IPPDAVNWHXXDAH-AAEUAGOBSA-N 1 1 303.362 1.879 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000192150091 408550296 /nfs/dbraw/zinc/55/02/96/408550296.db2.gz XTDHZEGWSRCGDX-OLZOCXBDSA-N 1 1 318.377 1.614 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000248374107 408552851 /nfs/dbraw/zinc/55/28/51/408552851.db2.gz NVWLNCNRYMMPAR-JHJVBQTASA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000248374107 408552854 /nfs/dbraw/zinc/55/28/54/408552854.db2.gz NVWLNCNRYMMPAR-JHJVBQTASA-N 1 1 310.350 1.444 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000248374143 408553482 /nfs/dbraw/zinc/55/34/82/408553482.db2.gz NZUIBEWWRDPCIU-KCQAQPDRSA-N 1 1 324.377 1.427 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n1C ZINC000265123239 408561335 /nfs/dbraw/zinc/56/13/35/408561335.db2.gz OIBRVRHTONSYIB-UHFFFAOYSA-N 1 1 321.312 1.463 20 5 DDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000184290838 408585885 /nfs/dbraw/zinc/58/58/85/408585885.db2.gz YYSXZEVXPWQYQL-ZDUSSCGKSA-N 1 1 320.393 1.351 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000264565782 408537680 /nfs/dbraw/zinc/53/76/80/408537680.db2.gz RJXAEXUGQGTIMW-LBPRGKRZSA-N 1 1 307.350 1.354 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000192528849 408606351 /nfs/dbraw/zinc/60/63/51/408606351.db2.gz NSUXNQQTATYPGL-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000265389652 408632189 /nfs/dbraw/zinc/63/21/89/408632189.db2.gz BZDZHYNSFVCKOU-ZDUSSCGKSA-N 1 1 322.365 1.745 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270848153 408706355 /nfs/dbraw/zinc/70/63/55/408706355.db2.gz GGODDCBHAVZKGY-ZOWXZIJZSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270848153 408706360 /nfs/dbraw/zinc/70/63/60/408706360.db2.gz GGODDCBHAVZKGY-ZOWXZIJZSA-N 1 1 321.377 1.933 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874706 408720607 /nfs/dbraw/zinc/72/06/07/408720607.db2.gz JQFSYHUUKMGFMZ-HUUCEWRRSA-N 1 1 319.361 1.325 20 5 DDBDMO CNC(=O)c1ccc(N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000184788441 408687362 /nfs/dbraw/zinc/68/73/62/408687362.db2.gz DUQFBQVGOKLVCR-UHFFFAOYSA-N 1 1 306.366 1.485 20 5 DDBDMO CCc1ccc([C@@H](COC)[NH2+]CCn2ccc([N+](=O)[O-])n2)o1 ZINC000184794181 408690528 /nfs/dbraw/zinc/69/05/28/408690528.db2.gz ITPBTXHVQGWQDD-GFCCVEGCSA-N 1 1 308.338 1.924 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183198460 162844278 /nfs/dbraw/zinc/84/42/78/162844278.db2.gz KUASMYUWIGSIRS-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000183198460 162844281 /nfs/dbraw/zinc/84/42/81/162844281.db2.gz KUASMYUWIGSIRS-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000281313223 408880066 /nfs/dbraw/zinc/88/00/66/408880066.db2.gz ZSCVOKNKRXADFO-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](C)CCCCO)cccc1[N+](=O)[O-] ZINC000276369655 408844421 /nfs/dbraw/zinc/84/44/21/408844421.db2.gz JRONFYXQVUVSMN-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286147083 408930835 /nfs/dbraw/zinc/93/08/35/408930835.db2.gz IIKGAEUIPFQWHE-UHFFFAOYSA-N 1 1 322.409 1.972 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C2(CCCCC2)C1 ZINC000286267723 408952044 /nfs/dbraw/zinc/95/20/44/408952044.db2.gz VILSNPBWNWBFSK-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292126286 408985819 /nfs/dbraw/zinc/98/58/19/408985819.db2.gz GXCNGAITXYUACP-MRXNPFEDSA-N 1 1 303.362 1.692 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278483365 409084477 /nfs/dbraw/zinc/08/44/77/409084477.db2.gz VPGSPOJZVOEPRR-LLVKDONJSA-N 1 1 305.382 1.221 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279125043 409153422 /nfs/dbraw/zinc/15/34/22/409153422.db2.gz VFTXBLPRROWMNH-ZUZCIYMTSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279125043 409153427 /nfs/dbraw/zinc/15/34/27/409153427.db2.gz VFTXBLPRROWMNH-ZUZCIYMTSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668339 409157893 /nfs/dbraw/zinc/15/78/93/409157893.db2.gz JPMLFWIXVHELFN-YPMHNXCESA-N 1 1 307.398 1.073 20 5 DDBDMO C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668339 409157895 /nfs/dbraw/zinc/15/78/95/409157895.db2.gz JPMLFWIXVHELFN-YPMHNXCESA-N 1 1 307.398 1.073 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000184794997 306714839 /nfs/dbraw/zinc/71/48/39/306714839.db2.gz TYMZSDMZHOTTDY-ZDUSSCGKSA-N 1 1 320.393 1.786 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294096096 409239621 /nfs/dbraw/zinc/23/96/21/409239621.db2.gz KMHJTBZXUVJSQB-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355640 409298012 /nfs/dbraw/zinc/29/80/12/409298012.db2.gz INBBEKHMKYFMFE-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355640 409298015 /nfs/dbraw/zinc/29/80/15/409298015.db2.gz INBBEKHMKYFMFE-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000317417112 164026832 /nfs/dbraw/zinc/02/68/32/164026832.db2.gz YIWQBNGOTMTALC-MNOVXSKESA-N 1 1 304.350 1.534 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979917 164046267 /nfs/dbraw/zinc/04/62/67/164046267.db2.gz OZBQQPQKLNAFRU-NWDGAFQWSA-N 1 1 323.324 1.327 20 5 DDBDMO COC(=O)Cc1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000295495614 409505142 /nfs/dbraw/zinc/50/51/42/409505142.db2.gz KICXDAZGJQNEOS-UHFFFAOYSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342426594 409620934 /nfs/dbraw/zinc/62/09/34/409620934.db2.gz DTFOVKLGRMLNDB-PELKAZGASA-N 1 1 318.782 1.771 20 5 DDBDMO Cc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000296718961 409634635 /nfs/dbraw/zinc/63/46/35/409634635.db2.gz HEICPGBQNQQSNJ-ZDUSSCGKSA-N 1 1 321.381 1.242 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356749527 409572454 /nfs/dbraw/zinc/57/24/54/409572454.db2.gz XOBUIDNKTQIXFX-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349245483 409764273 /nfs/dbraw/zinc/76/42/73/409764273.db2.gz RLKKTMFBUXWDFM-JQWIXIFHSA-N 1 1 307.306 1.673 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000357170830 409918472 /nfs/dbraw/zinc/91/84/72/409918472.db2.gz LVSIYPWRGBOAMY-SNVBAGLBSA-N 1 1 323.349 1.388 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000357170830 409918476 /nfs/dbraw/zinc/91/84/76/409918476.db2.gz LVSIYPWRGBOAMY-SNVBAGLBSA-N 1 1 323.349 1.388 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342869424 409963285 /nfs/dbraw/zinc/96/32/85/409963285.db2.gz XWEUWJPIOUUALH-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239816 410007544 /nfs/dbraw/zinc/00/75/44/410007544.db2.gz IOIPQZRZMLZKKB-ZJUUUORDSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239816 410007551 /nfs/dbraw/zinc/00/75/51/410007551.db2.gz IOIPQZRZMLZKKB-ZJUUUORDSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239816 410007559 /nfs/dbraw/zinc/00/75/59/410007559.db2.gz IOIPQZRZMLZKKB-ZJUUUORDSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C[N@H+]1C ZINC000332228478 409995679 /nfs/dbraw/zinc/99/56/79/409995679.db2.gz LIEXJGVTLDXTAY-MNOVXSKESA-N 1 1 303.366 1.996 20 5 DDBDMO C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000343024201 410082311 /nfs/dbraw/zinc/08/23/11/410082311.db2.gz DDGHKDFASFCQEC-SECBINFHSA-N 1 1 323.378 1.102 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000355028105 410251140 /nfs/dbraw/zinc/25/11/40/410251140.db2.gz QDFQFQDEKPRIHB-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351776427 410224090 /nfs/dbraw/zinc/22/40/90/410224090.db2.gz BAXXJDIMACJHPG-GXFFZTMASA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000351959191 410371716 /nfs/dbraw/zinc/37/17/16/410371716.db2.gz NVEPXUQRWPCOJR-JOYOIKCWSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000351959191 410371721 /nfs/dbraw/zinc/37/17/21/410371721.db2.gz NVEPXUQRWPCOJR-JOYOIKCWSA-N 1 1 304.306 1.457 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355351923 410463103 /nfs/dbraw/zinc/46/31/03/410463103.db2.gz UYRLUIOKSDHMQK-HUUCEWRRSA-N 1 1 319.361 1.530 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000339747524 410433831 /nfs/dbraw/zinc/43/38/31/410433831.db2.gz KQISYMVEZCRLMO-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000339747524 410433834 /nfs/dbraw/zinc/43/38/34/410433834.db2.gz KQISYMVEZCRLMO-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000347387462 410514806 /nfs/dbraw/zinc/51/48/06/410514806.db2.gz ZWBCDWJGGLZYMM-YVGNARHYSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000347387462 410514817 /nfs/dbraw/zinc/51/48/17/410514817.db2.gz ZWBCDWJGGLZYMM-YVGNARHYSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000347387462 410514820 /nfs/dbraw/zinc/51/48/20/410514820.db2.gz ZWBCDWJGGLZYMM-YVGNARHYSA-N 1 1 319.405 1.997 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339953017 410573369 /nfs/dbraw/zinc/57/33/69/410573369.db2.gz MQVOTKDXQMPIBH-NWDGAFQWSA-N 1 1 318.377 1.993 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000355545866 410574548 /nfs/dbraw/zinc/57/45/48/410574548.db2.gz MCZUJJWOCFJVLB-UHFFFAOYSA-N 1 1 304.350 1.559 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355592620 410595666 /nfs/dbraw/zinc/59/56/66/410595666.db2.gz YUMCSRBFQVGRRP-LBPRGKRZSA-N 1 1 321.381 1.344 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O ZINC000352203662 410543928 /nfs/dbraw/zinc/54/39/28/410543928.db2.gz ULBARGKSGKWQNN-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352213155 410550978 /nfs/dbraw/zinc/55/09/78/410550978.db2.gz UAQCPEISNQUYMV-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352213155 410550982 /nfs/dbraw/zinc/55/09/82/410550982.db2.gz UAQCPEISNQUYMV-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000352362213 410646627 /nfs/dbraw/zinc/64/66/27/410646627.db2.gz VBKYGELFFKIBLC-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000352362213 410646632 /nfs/dbraw/zinc/64/66/32/410646632.db2.gz VBKYGELFFKIBLC-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1 ZINC000301104879 410658736 /nfs/dbraw/zinc/65/87/36/410658736.db2.gz JBUBFJCVFUBVMC-UHFFFAOYSA-N 1 1 321.381 1.765 20 5 DDBDMO Cc1nc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301662802 410765866 /nfs/dbraw/zinc/76/58/66/410765866.db2.gz NDSWHYVPUMRNEH-ZIAGYGMSSA-N 1 1 320.393 1.724 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000301692305 410773243 /nfs/dbraw/zinc/77/32/43/410773243.db2.gz ZDGNQSLMJRHHPY-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330603270 410816850 /nfs/dbraw/zinc/81/68/50/410816850.db2.gz FVUUOFNFXQQKCX-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000330603270 410816852 /nfs/dbraw/zinc/81/68/52/410816852.db2.gz FVUUOFNFXQQKCX-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301890184 410823656 /nfs/dbraw/zinc/82/36/56/410823656.db2.gz TWUVLKJBCHORFP-NSHDSACASA-N 1 1 304.354 1.416 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000301965062 410836551 /nfs/dbraw/zinc/83/65/51/410836551.db2.gz NYLVWFLPOBHREF-NEPJUHHUSA-N 1 1 316.365 1.558 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000302127762 410838390 /nfs/dbraw/zinc/83/83/90/410838390.db2.gz XALKXEMOLQWYHK-LLVKDONJSA-N 1 1 307.354 1.074 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330678592 410871894 /nfs/dbraw/zinc/87/18/94/410871894.db2.gz WOKAKWFLHMQUIE-JTQLQIEISA-N 1 1 323.349 1.388 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330678592 410871898 /nfs/dbraw/zinc/87/18/98/410871898.db2.gz WOKAKWFLHMQUIE-JTQLQIEISA-N 1 1 323.349 1.388 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882404 410902624 /nfs/dbraw/zinc/90/26/24/410902624.db2.gz ZSFLJIARVHBWQJ-WDEREUQCSA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882404 410902626 /nfs/dbraw/zinc/90/26/26/410902626.db2.gz ZSFLJIARVHBWQJ-WDEREUQCSA-N 1 1 309.341 2.000 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344038837 410912253 /nfs/dbraw/zinc/91/22/53/410912253.db2.gz GKCPKLRRRBTWPL-LNSITVRQSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344038837 410912254 /nfs/dbraw/zinc/91/22/54/410912254.db2.gz GKCPKLRRRBTWPL-LNSITVRQSA-N 1 1 319.361 1.544 20 5 DDBDMO C[C@@H](CCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353517115 411043193 /nfs/dbraw/zinc/04/31/93/411043193.db2.gz HWKBFRDCOHXWKP-SMDDNHRTSA-N 1 1 304.350 1.778 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356464314 411044434 /nfs/dbraw/zinc/04/44/34/411044434.db2.gz JQELRXYHYOSWSK-NSHDSACASA-N 1 1 309.370 1.323 20 5 DDBDMO Cn1ccnc1[C@H](NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353646694 411097977 /nfs/dbraw/zinc/09/79/77/411097977.db2.gz QRRPWVJMHMVWRO-OAHLLOKOSA-N 1 1 315.377 1.713 20 5 DDBDMO Cn1ccnc1[C@H](NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353649624 411098452 /nfs/dbraw/zinc/09/84/52/411098452.db2.gz YJWKPGVHERFRHF-OAHLLOKOSA-N 1 1 315.377 1.713 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356590853 411100088 /nfs/dbraw/zinc/10/00/88/411100088.db2.gz CDOYAWUZRFZCAX-JTQLQIEISA-N 1 1 309.370 1.422 20 5 DDBDMO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000134119510 196363510 /nfs/dbraw/zinc/36/35/10/196363510.db2.gz IZJJGUPQFPVGAV-LBPRGKRZSA-N 1 1 307.350 1.293 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360831959 418528251 /nfs/dbraw/zinc/52/82/51/418528251.db2.gz JVFRDCCCWCPGKU-OAHLLOKOSA-N 1 1 315.333 1.297 20 5 DDBDMO Cc1[nH+]ccn1CCCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000361093894 418581919 /nfs/dbraw/zinc/58/19/19/418581919.db2.gz DEIORGBWFVTEBN-UHFFFAOYSA-N 1 1 318.337 1.486 20 5 DDBDMO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000375250850 418621859 /nfs/dbraw/zinc/62/18/59/418621859.db2.gz PWBOEISNZFXOGI-OWUUHHOZSA-N 1 1 315.333 1.565 20 5 DDBDMO CCn1nccc1C[N@@H+](CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000361362283 418636216 /nfs/dbraw/zinc/63/62/16/418636216.db2.gz QTZIMWZZUSOCTE-UHFFFAOYSA-N 1 1 318.377 1.848 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849879 418738177 /nfs/dbraw/zinc/73/81/77/418738177.db2.gz XKTKIJCYDLWFLX-QWHCGFSZSA-N 1 1 307.350 1.287 20 5 DDBDMO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290153 418851566 /nfs/dbraw/zinc/85/15/66/418851566.db2.gz VRYMMDBOGHEVIL-QWHCGFSZSA-N 1 1 323.397 1.589 20 5 DDBDMO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290153 418851569 /nfs/dbraw/zinc/85/15/69/418851569.db2.gz VRYMMDBOGHEVIL-QWHCGFSZSA-N 1 1 323.397 1.589 20 5 DDBDMO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290154 418851672 /nfs/dbraw/zinc/85/16/72/418851672.db2.gz VRYMMDBOGHEVIL-STQMWFEESA-N 1 1 323.397 1.589 20 5 DDBDMO CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290154 418851673 /nfs/dbraw/zinc/85/16/73/418851673.db2.gz VRYMMDBOGHEVIL-STQMWFEESA-N 1 1 323.397 1.589 20 5 DDBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCC[N@H+]1C ZINC000420991713 419428793 /nfs/dbraw/zinc/42/87/93/419428793.db2.gz ALMKDELMWJXZSQ-LBPRGKRZSA-N 1 1 303.366 1.997 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411946398 419514518 /nfs/dbraw/zinc/51/45/18/419514518.db2.gz SKMHUWOCPHSOQE-GFCCVEGCSA-N 1 1 307.350 1.384 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000412037968 419584481 /nfs/dbraw/zinc/58/44/81/419584481.db2.gz NYJKOKVLTPWQKH-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000299374601 229082640 /nfs/dbraw/zinc/08/26/40/229082640.db2.gz SARLXVNZOIBSSU-UHFFFAOYSA-N 1 1 314.345 1.996 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CCOCC1 ZINC000430198633 420089730 /nfs/dbraw/zinc/08/97/30/420089730.db2.gz ZDTNQJLAQURPGQ-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000430226175 420092523 /nfs/dbraw/zinc/09/25/23/420092523.db2.gz MNTUBLDRMSCTJE-GFCCVEGCSA-N 1 1 307.350 1.833 20 5 DDBDMO [NH3+]C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430928868 420210630 /nfs/dbraw/zinc/21/06/30/420210630.db2.gz VCYINTQIYAWDDN-NSHDSACASA-N 1 1 320.349 1.173 20 5 DDBDMO COc1ccc(OCC[NH2+][C@H]2[C@@H](C)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000420364684 420239591 /nfs/dbraw/zinc/23/95/91/420239591.db2.gz KLBYWHVIRVIXEP-HWWQOWPSSA-N 1 1 323.393 1.958 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436338278 420321855 /nfs/dbraw/zinc/32/18/55/420321855.db2.gz BRHJFFAQOSAFRF-LLVKDONJSA-N 1 1 320.271 1.487 20 5 DDBDMO CO[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417022 420379900 /nfs/dbraw/zinc/37/99/00/420379900.db2.gz MCMKCXUHJTZZNE-GXTWGEPZSA-N 1 1 306.366 1.901 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420766109 420384168 /nfs/dbraw/zinc/38/41/68/420384168.db2.gz LWBQONSKGARSOZ-LBPRGKRZSA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@H]([C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCOCC1 ZINC000301959862 230004597 /nfs/dbraw/zinc/00/45/97/230004597.db2.gz HIDUFXOOPKJATL-WDEREUQCSA-N 1 1 320.353 1.159 20 5 DDBDMO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315461 230362981 /nfs/dbraw/zinc/36/29/81/230362981.db2.gz QPCFGKMJVSJFRL-LRDDRELGSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315461 230362982 /nfs/dbraw/zinc/36/29/82/230362982.db2.gz QPCFGKMJVSJFRL-LRDDRELGSA-N 1 1 324.377 1.365 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)[N@H+]1CCO ZINC000450800294 420534057 /nfs/dbraw/zinc/53/40/57/420534057.db2.gz YRGVWOAUROKZGA-AOOOYVTPSA-N 1 1 312.345 1.207 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@H](C)[N@@H+]1CCO ZINC000450800294 420534061 /nfs/dbraw/zinc/53/40/61/420534061.db2.gz YRGVWOAUROKZGA-AOOOYVTPSA-N 1 1 312.345 1.207 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000457079743 420604656 /nfs/dbraw/zinc/60/46/56/420604656.db2.gz SMHFVHUJNCBOGN-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454276411 420829215 /nfs/dbraw/zinc/82/92/15/420829215.db2.gz ORRBBUICXQUKKD-CQSZACIVSA-N 1 1 322.365 1.563 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455183209 420979725 /nfs/dbraw/zinc/97/97/25/420979725.db2.gz PAMTXLWHZCCQHK-NSHDSACASA-N 1 1 321.381 1.493 20 5 DDBDMO COc1nccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000449289555 420984053 /nfs/dbraw/zinc/98/40/53/420984053.db2.gz UGAWOCCVSVTLMX-UHFFFAOYSA-N 1 1 318.337 1.427 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948945 421060223 /nfs/dbraw/zinc/06/02/23/421060223.db2.gz MYWBOJQSNDAASZ-JSGCOSHPSA-N 1 1 305.378 1.793 20 5 DDBDMO CNc1nc(C(=O)NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000455458600 421018213 /nfs/dbraw/zinc/01/82/13/421018213.db2.gz DZBNNIKAURRXOI-UHFFFAOYSA-N 1 1 321.381 1.636 20 5 DDBDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488014529 421063278 /nfs/dbraw/zinc/06/32/78/421063278.db2.gz ZBEDDJMRCWEWRA-HNNXBMFYSA-N 1 1 322.340 1.732 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000490295327 421191905 /nfs/dbraw/zinc/19/19/05/421191905.db2.gz BRQCPOPSCUCPQD-CYBMUJFWSA-N 1 1 306.366 1.589 20 5 DDBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539285 421207513 /nfs/dbraw/zinc/20/75/13/421207513.db2.gz JMAMGXCROZNZDX-DMDPSCGWSA-N 1 1 305.382 1.860 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000525620062 421293389 /nfs/dbraw/zinc/29/33/89/421293389.db2.gz ZESTYBXVEDMQJH-VHSXEESVSA-N 1 1 321.333 1.536 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000548006334 421388328 /nfs/dbraw/zinc/38/83/28/421388328.db2.gz DVPJAHYPMCAGQA-LLVKDONJSA-N 1 1 314.349 1.912 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000549654220 421503492 /nfs/dbraw/zinc/50/34/92/421503492.db2.gz NLFPQSMCKVBFLA-LBPRGKRZSA-N 1 1 306.366 1.485 20 5 DDBDMO [NH3+]C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000519659614 421714398 /nfs/dbraw/zinc/71/43/98/421714398.db2.gz XIYRINPFFLKADM-AWEZNQCLSA-N 1 1 305.378 1.782 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000519853577 421734610 /nfs/dbraw/zinc/73/46/10/421734610.db2.gz WJLXBRZFMPNRGO-ZDUSSCGKSA-N 1 1 312.366 1.821 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520361649 421747473 /nfs/dbraw/zinc/74/74/73/421747473.db2.gz PYMXIZLIZGQANQ-UHFFFAOYSA-N 1 1 323.349 1.784 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558759143 421825157 /nfs/dbraw/zinc/82/51/57/421825157.db2.gz WCTDGAGSFYNOBD-LLVKDONJSA-N 1 1 307.354 1.122 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600271936 422409348 /nfs/dbraw/zinc/40/93/48/422409348.db2.gz RUIWBKLHZNNGIE-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000600271935 422410330 /nfs/dbraw/zinc/41/03/30/422410330.db2.gz RQLGJUXIEXLIDA-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CO[C@H](C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285747577 274074227 /nfs/dbraw/zinc/07/42/27/274074227.db2.gz QRRGCOODICEDML-LLVKDONJSA-N 1 1 307.350 1.451 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285747577 274074228 /nfs/dbraw/zinc/07/42/28/274074228.db2.gz QRRGCOODICEDML-LLVKDONJSA-N 1 1 307.350 1.451 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](CCCO)CC2)c1 ZINC000301826261 274095699 /nfs/dbraw/zinc/09/56/99/274095699.db2.gz MVEWGBXKHIWVEV-UHFFFAOYSA-N 1 1 313.329 1.247 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000338745491 277072963 /nfs/dbraw/zinc/07/29/63/277072963.db2.gz NRNFZRVTPWPINX-MRXNPFEDSA-N 1 1 318.377 1.616 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1 ZINC000084867118 280372112 /nfs/dbraw/zinc/37/21/12/280372112.db2.gz ORTUSTKNBPTDIP-LBPRGKRZSA-N 1 1 322.283 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1 ZINC000084867118 280372114 /nfs/dbraw/zinc/37/21/14/280372114.db2.gz ORTUSTKNBPTDIP-LBPRGKRZSA-N 1 1 322.283 1.702 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000178226345 281010584 /nfs/dbraw/zinc/01/05/84/281010584.db2.gz IJSJANAGKATGST-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)c1 ZINC000354040323 298346917 /nfs/dbraw/zinc/34/69/17/298346917.db2.gz ORTUSTKNBPTDIP-GFCCVEGCSA-N 1 1 322.283 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)c1 ZINC000354040323 298346921 /nfs/dbraw/zinc/34/69/21/298346921.db2.gz ORTUSTKNBPTDIP-GFCCVEGCSA-N 1 1 322.283 1.702 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358061661 299061910 /nfs/dbraw/zinc/06/19/10/299061910.db2.gz HAKURBFZOLYZTI-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000362910234 300176554 /nfs/dbraw/zinc/17/65/54/300176554.db2.gz HDKMYYSTTYICNP-CYBMUJFWSA-N 1 1 319.361 1.914 20 5 DDBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000363129518 300216737 /nfs/dbraw/zinc/21/67/37/300216737.db2.gz IBEJEERRPAGKSD-LLVKDONJSA-N 1 1 304.354 1.126 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369788480 301225128 /nfs/dbraw/zinc/22/51/28/301225128.db2.gz SKCUFFRRNVNHBM-NUEKZKHPSA-N 1 1 322.361 1.588 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000370045973 301265307 /nfs/dbraw/zinc/26/53/07/301265307.db2.gz OYQAFRJLKFVDQA-GFCCVEGCSA-N 1 1 316.365 1.657 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000370045973 301265308 /nfs/dbraw/zinc/26/53/08/301265308.db2.gz OYQAFRJLKFVDQA-GFCCVEGCSA-N 1 1 316.365 1.657 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)C1 ZINC000376176628 302045812 /nfs/dbraw/zinc/04/58/12/302045812.db2.gz YCGNTZGDKWVNME-CQSZACIVSA-N 1 1 319.409 1.393 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000376512276 302088218 /nfs/dbraw/zinc/08/82/18/302088218.db2.gz JDHRWABTFYZNIQ-GFCCVEGCSA-N 1 1 304.350 1.487 20 5 DDBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377481537 302183943 /nfs/dbraw/zinc/18/39/43/302183943.db2.gz LZKAHZGMXOUWRT-CHWSQXEVSA-N 1 1 319.361 1.496 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000377963508 302257867 /nfs/dbraw/zinc/25/78/67/302257867.db2.gz UYDKLOYVNBJCGI-RDBSUJKOSA-N 1 1 305.382 1.207 20 5 DDBDMO O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccccc1[N+](=O)[O-] ZINC000538687287 303387886 /nfs/dbraw/zinc/38/78/86/303387886.db2.gz RQZCGBZWRNKXTC-UHFFFAOYSA-N 1 1 314.345 1.987 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366416607 307073050 /nfs/dbraw/zinc/07/30/50/307073050.db2.gz KLWAOEGQSGNUQE-NNYUYHANSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366416607 307073051 /nfs/dbraw/zinc/07/30/51/307073051.db2.gz KLWAOEGQSGNUQE-NNYUYHANSA-N 1 1 305.334 1.092 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000368714973 307108564 /nfs/dbraw/zinc/10/85/64/307108564.db2.gz HBZDRFSIWDSISN-MRXNPFEDSA-N 1 1 314.345 1.960 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000368714973 307108565 /nfs/dbraw/zinc/10/85/65/307108565.db2.gz HBZDRFSIWDSISN-MRXNPFEDSA-N 1 1 314.345 1.960 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034072 307114689 /nfs/dbraw/zinc/11/46/89/307114689.db2.gz CIDVDKFTDUXVSS-UKRRQHHQSA-N 1 1 321.333 1.203 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034072 307114690 /nfs/dbraw/zinc/11/46/90/307114690.db2.gz CIDVDKFTDUXVSS-UKRRQHHQSA-N 1 1 321.333 1.203 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000373175647 307181200 /nfs/dbraw/zinc/18/12/00/307181200.db2.gz ANLBMMHJLVXJDV-LLVKDONJSA-N 1 1 308.338 1.066 20 5 DDBDMO COc1cc(N2CCC[N@H+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000377837793 307277110 /nfs/dbraw/zinc/27/71/10/307277110.db2.gz RCISAPJGUQYAHV-UHFFFAOYSA-N 1 1 322.409 1.677 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000425357154 307302529 /nfs/dbraw/zinc/30/25/29/307302529.db2.gz XWJUMHORKVPQHT-UHFFFAOYSA-N 1 1 323.393 1.843 20 5 DDBDMO C[C@@H](CCN(C)C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116857 308043691 /nfs/dbraw/zinc/04/36/91/308043691.db2.gz LDTHDKSUWVFLCU-STQMWFEESA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@@H](CC[NH+](C)C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116857 308043693 /nfs/dbraw/zinc/04/36/93/308043693.db2.gz LDTHDKSUWVFLCU-STQMWFEESA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@H](CCN(C)C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116852 308043830 /nfs/dbraw/zinc/04/38/30/308043830.db2.gz LDTHDKSUWVFLCU-OLZOCXBDSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@H](CC[NH+](C)C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116852 308043831 /nfs/dbraw/zinc/04/38/31/308043831.db2.gz LDTHDKSUWVFLCU-OLZOCXBDSA-N 1 1 311.382 1.264 20 5 DDBDMO CC(C)C[C@@H]([NH3+])c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000580311095 308594866 /nfs/dbraw/zinc/59/48/66/308594866.db2.gz WGHXKINEJMPINA-SECBINFHSA-N 1 1 307.310 1.234 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724549 337125660 /nfs/dbraw/zinc/12/56/60/337125660.db2.gz ZVZXYFQCZZVFDK-UKRRQHHQSA-N 1 1 317.349 1.037 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488733442 484216969 /nfs/dbraw/zinc/21/69/69/484216969.db2.gz JJHVGGFPYLKBLG-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488733442 484216978 /nfs/dbraw/zinc/21/69/78/484216978.db2.gz JJHVGGFPYLKBLG-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361591242 484521851 /nfs/dbraw/zinc/52/18/51/484521851.db2.gz YPNRDUHHDYWNKI-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](O)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101481 533857599 /nfs/dbraw/zinc/85/75/99/533857599.db2.gz WZXDFPRIFFUEST-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101481 533857608 /nfs/dbraw/zinc/85/76/08/533857608.db2.gz WZXDFPRIFFUEST-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)CC1 ZINC000293011733 534298437 /nfs/dbraw/zinc/29/84/37/534298437.db2.gz DRZOVRRKJLIZAR-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](O)CC1 ZINC000293011733 534298438 /nfs/dbraw/zinc/29/84/38/534298438.db2.gz DRZOVRRKJLIZAR-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154783671 525662142 /nfs/dbraw/zinc/66/21/42/525662142.db2.gz ALQFSOYTBYEBRJ-TVQRCGJNSA-N 1 1 310.310 1.634 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154783671 525662152 /nfs/dbraw/zinc/66/21/52/525662152.db2.gz ALQFSOYTBYEBRJ-TVQRCGJNSA-N 1 1 310.310 1.634 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451936088 527789761 /nfs/dbraw/zinc/78/97/61/527789761.db2.gz KHMYADXNODHQGM-MPKXVKKWSA-N 1 1 323.349 1.315 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000433757215 527998460 /nfs/dbraw/zinc/99/84/60/527998460.db2.gz IRFIDUWCZQBPRU-LLVKDONJSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000457137206 529073997 /nfs/dbraw/zinc/07/39/97/529073997.db2.gz XDRRAHPYLJUSIY-LBPRGKRZSA-N 1 1 309.370 1.123 20 5 DDBDMO CC1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302569130 529129404 /nfs/dbraw/zinc/12/94/04/529129404.db2.gz YEBAZJWOJDQWKS-UHFFFAOYSA-N 1 1 314.773 1.536 20 5 DDBDMO CC1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302569130 529129406 /nfs/dbraw/zinc/12/94/06/529129406.db2.gz YEBAZJWOJDQWKS-UHFFFAOYSA-N 1 1 314.773 1.536 20 5 DDBDMO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000823647257 599453006 /nfs/dbraw/zinc/45/30/06/599453006.db2.gz IYSVHLOQZCFSKZ-UHFFFAOYSA-N 1 1 314.305 1.700 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590325 698123517 /nfs/dbraw/zinc/12/35/17/698123517.db2.gz ZNRKORDBTXXAMA-CJNGLKHVSA-N 1 1 324.377 1.613 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000776593583 698124231 /nfs/dbraw/zinc/12/42/31/698124231.db2.gz YDZBOTWCCZXDSQ-RYUDHWBXSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000776593583 698124232 /nfs/dbraw/zinc/12/42/32/698124232.db2.gz YDZBOTWCCZXDSQ-RYUDHWBXSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000750055119 700201311 /nfs/dbraw/zinc/20/13/11/700201311.db2.gz ZBWKEYCIZCSWMO-LSDHHAIUSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000750055119 700201313 /nfs/dbraw/zinc/20/13/13/700201313.db2.gz ZBWKEYCIZCSWMO-LSDHHAIUSA-N 1 1 322.361 1.856 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854190 698144235 /nfs/dbraw/zinc/14/42/35/698144235.db2.gz PZKWPPHBZIBTOB-FZMZJTMJSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854190 698144236 /nfs/dbraw/zinc/14/42/36/698144236.db2.gz PZKWPPHBZIBTOB-FZMZJTMJSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262534284 698473333 /nfs/dbraw/zinc/47/33/33/698473333.db2.gz QAUGDRVPDOWLRX-ZIAGYGMSSA-N 1 1 304.394 1.635 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961840 698666541 /nfs/dbraw/zinc/66/65/41/698666541.db2.gz JQDUYENKQWAOEK-HUUCEWRRSA-N 1 1 310.350 1.366 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729527397 699481529 /nfs/dbraw/zinc/48/15/29/699481529.db2.gz MGAFKUUHQFIUCR-LBPRGKRZSA-N 1 1 320.393 1.946 20 5 DDBDMO Cc1c(CNC(=O)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000791021781 699607591 /nfs/dbraw/zinc/60/75/91/699607591.db2.gz RCZNJOVBTZXELP-UHFFFAOYSA-N 1 1 307.350 1.242 20 5 DDBDMO Cc1c(C(=O)NCC[NH+]2CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000752295531 700354182 /nfs/dbraw/zinc/35/41/82/700354182.db2.gz LLFQUMVNTHIQPA-UHFFFAOYSA-N 1 1 308.294 1.247 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801934917 700357216 /nfs/dbraw/zinc/35/72/16/700357216.db2.gz SSQPQBGYBXLIFK-NXEZZACHSA-N 1 1 324.356 1.871 20 5 DDBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cc([N+](=O)[O-])cn1 ZINC000802748832 700424274 /nfs/dbraw/zinc/42/42/74/700424274.db2.gz ZGPJCERIOBJWEF-YHWZYXNKSA-N 1 1 316.365 1.893 20 5 DDBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc([N+](=O)[O-])cn1 ZINC000802748832 700424276 /nfs/dbraw/zinc/42/42/76/700424276.db2.gz ZGPJCERIOBJWEF-YHWZYXNKSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCCC[N@H+]2C)n1 ZINC000755575163 700571622 /nfs/dbraw/zinc/57/16/22/700571622.db2.gz VDNMCJQVRVFQQY-NSHDSACASA-N 1 1 310.354 1.842 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332461 700699193 /nfs/dbraw/zinc/69/91/93/700699193.db2.gz BJFDNSBOFSVNLQ-NOZJJQNGSA-N 1 1 307.325 1.946 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762720660 700904557 /nfs/dbraw/zinc/90/45/57/700904557.db2.gz YPCWMVQWVDHTRT-CKDIWJPDSA-N 1 1 319.361 1.181 20 5 DDBDMO C[NH+]1CCN(C(=O)CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804430814 701188206 /nfs/dbraw/zinc/18/82/06/701188206.db2.gz WOABEVWIFQPVOP-UHFFFAOYSA-N 1 1 312.757 1.434 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660906 701770509 /nfs/dbraw/zinc/77/05/09/701770509.db2.gz ZLENMCAUWWDJEH-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660906 701770520 /nfs/dbraw/zinc/77/05/20/701770520.db2.gz ZLENMCAUWWDJEH-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660906 701770523 /nfs/dbraw/zinc/77/05/23/701770523.db2.gz ZLENMCAUWWDJEH-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660906 701770530 /nfs/dbraw/zinc/77/05/30/701770530.db2.gz ZLENMCAUWWDJEH-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660906 701770534 /nfs/dbraw/zinc/77/05/34/701770534.db2.gz ZLENMCAUWWDJEH-TZMCWYRMSA-N 1 1 317.349 1.544 20 5 DDBDMO C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@@H+]1C ZINC000840087850 701961085 /nfs/dbraw/zinc/96/10/85/701961085.db2.gz BQLFTZCGJKFZHR-TXEJJXNPSA-N 1 1 303.366 1.926 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000840226025 702035724 /nfs/dbraw/zinc/03/57/24/702035724.db2.gz SJBHVILSQZGFHA-ZDUSSCGKSA-N 1 1 324.381 1.907 20 5 DDBDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322293 706649350 /nfs/dbraw/zinc/64/93/50/706649350.db2.gz JGCPUVOPSIPDPY-GWCFXTLKSA-N 1 1 307.350 1.693 20 5 DDBDMO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362907 702866978 /nfs/dbraw/zinc/86/69/78/702866978.db2.gz UNHAUDYIRSHNQE-MNOVXSKESA-N 1 1 324.356 1.732 20 5 DDBDMO CN1C[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921251 703351982 /nfs/dbraw/zinc/35/19/82/703351982.db2.gz REWZLMBIIVVDEW-KGLIPLIRSA-N 1 1 307.350 1.181 20 5 DDBDMO C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000848035477 703498374 /nfs/dbraw/zinc/49/83/74/703498374.db2.gz VUOKRBMQLKBMPO-CYBMUJFWSA-N 1 1 307.350 1.181 20 5 DDBDMO C[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000848035477 703498375 /nfs/dbraw/zinc/49/83/75/703498375.db2.gz VUOKRBMQLKBMPO-CYBMUJFWSA-N 1 1 307.350 1.181 20 5 DDBDMO C[NH2+][C@@H](C)c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000848627807 703569925 /nfs/dbraw/zinc/56/99/25/703569925.db2.gz LKIBSIQLHGKPBV-VIFPVBQESA-N 1 1 319.321 1.117 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000851924521 703883893 /nfs/dbraw/zinc/88/38/93/703883893.db2.gz OPUWKAGYLGMLCF-NSHDSACASA-N 1 1 311.338 1.866 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000818963294 704036158 /nfs/dbraw/zinc/03/61/58/704036158.db2.gz NTSXJOWQFLYJAS-IJEWVQPXSA-N 1 1 305.378 1.845 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565926 704271784 /nfs/dbraw/zinc/27/17/84/704271784.db2.gz KQZQQFKFJRNRFM-DOMZBBRYSA-N 1 1 302.334 1.870 20 5 DDBDMO O=[N+]([O-])c1cn(C[N@@H+]2CCC3(COC3)C2)nc1-c1ccncc1 ZINC000853596947 704281104 /nfs/dbraw/zinc/28/11/04/704281104.db2.gz COAVUUZEJWVVKR-UHFFFAOYSA-N 1 1 315.333 1.533 20 5 DDBDMO O=[N+]([O-])c1cn(C[N@H+]2CCC3(COC3)C2)nc1-c1ccncc1 ZINC000853596947 704281108 /nfs/dbraw/zinc/28/11/08/704281108.db2.gz COAVUUZEJWVVKR-UHFFFAOYSA-N 1 1 315.333 1.533 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176992 705124071 /nfs/dbraw/zinc/12/40/71/705124071.db2.gz LFPMQRHCWIYUGN-CVEARBPZSA-N 1 1 321.377 1.619 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000823069118 705130096 /nfs/dbraw/zinc/13/00/96/705130096.db2.gz FJFIMERZTWFFIF-ZCFIWIBFSA-N 1 1 312.307 1.659 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874827847 705186605 /nfs/dbraw/zinc/18/66/05/705186605.db2.gz DULZTCRMSKXMSF-STQMWFEESA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836659 705193654 /nfs/dbraw/zinc/19/36/54/705193654.db2.gz HOCSLVMOBSCQKT-KGLIPLIRSA-N 1 1 305.334 1.609 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836659 705193657 /nfs/dbraw/zinc/19/36/57/705193657.db2.gz HOCSLVMOBSCQKT-KGLIPLIRSA-N 1 1 305.334 1.609 20 5 DDBDMO CCn1nc(C)c(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000824081014 705369886 /nfs/dbraw/zinc/36/98/86/705369886.db2.gz RIJXLKJMDCWKNS-AWEZNQCLSA-N 1 1 305.338 1.338 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863032903 705852412 /nfs/dbraw/zinc/85/24/12/705852412.db2.gz QVVATGIPHMILRV-NSHDSACASA-N 1 1 319.365 1.319 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827300688 705971468 /nfs/dbraw/zinc/97/14/68/705971468.db2.gz NCAPKWQUKMILIL-MFKMUULPSA-N 1 1 307.325 1.900 20 5 DDBDMO CC(=O)c1c(NCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881779529 707363639 /nfs/dbraw/zinc/36/36/39/707363639.db2.gz UKGAGVZQLDTXQU-UHFFFAOYSA-N 1 1 306.366 1.457 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCn3cnnn3)C2)cc1 ZINC000878679163 706466933 /nfs/dbraw/zinc/46/69/33/706466933.db2.gz ULIHYFPWEAMHIC-CYBMUJFWSA-N 1 1 302.338 1.461 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880069378 706869641 /nfs/dbraw/zinc/86/96/41/706869641.db2.gz HNPXXGMAXRNOIL-NWDGAFQWSA-N 1 1 309.341 1.375 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C[C@H]1CO ZINC000880490415 706992647 /nfs/dbraw/zinc/99/26/47/706992647.db2.gz QLSRBPKTHHPUAS-ZDUSSCGKSA-N 1 1 305.334 1.465 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000872320504 707381035 /nfs/dbraw/zinc/38/10/35/707381035.db2.gz ZVKLDXWANKLAHA-PHIMTYICSA-N 1 1 323.324 1.641 20 5 DDBDMO CC(C)(CCC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[N+](=O)[O-] ZINC000837159806 707586859 /nfs/dbraw/zinc/58/68/59/707586859.db2.gz NSPYVXDGCICHKO-CQSZACIVSA-N 1 1 305.378 1.995 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000885854671 708639756 /nfs/dbraw/zinc/63/97/56/708639756.db2.gz BGFAUJCAMCSXCK-NSHDSACASA-N 1 1 309.322 1.171 20 5 DDBDMO CC1(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)OCCO1 ZINC000886077149 708693499 /nfs/dbraw/zinc/69/34/99/708693499.db2.gz WHIQJBNSBWQFBD-UHFFFAOYSA-N 1 1 307.350 1.965 20 5 DDBDMO CCC[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000886099365 708698340 /nfs/dbraw/zinc/69/83/40/708698340.db2.gz YCOUMOUUFTXCCA-OAHLLOKOSA-N 1 1 322.409 1.923 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000886596089 708787612 /nfs/dbraw/zinc/78/76/12/708787612.db2.gz WOFLDKXUKHRIIM-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000886596089 708787615 /nfs/dbraw/zinc/78/76/15/708787615.db2.gz WOFLDKXUKHRIIM-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO Cc1c(CC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887930373 709168192 /nfs/dbraw/zinc/16/81/92/709168192.db2.gz FPQCHLIQGWHCJV-PBHICJAKSA-N 1 1 317.389 1.856 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900804824 709766985 /nfs/dbraw/zinc/76/69/85/709766985.db2.gz NNNONYGNGYBRSE-QMTHXVAHSA-N 1 1 324.356 1.098 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928438150 713195770 /nfs/dbraw/zinc/19/57/70/713195770.db2.gz SQQVRENQUJVQMG-AAEUAGOBSA-N 1 1 307.350 1.491 20 5 DDBDMO COc1cc([C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154147 711049756 /nfs/dbraw/zinc/04/97/56/711049756.db2.gz TVNDCMKFHJZYMU-NHYWBVRUSA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903154147 711049758 /nfs/dbraw/zinc/04/97/58/711049758.db2.gz TVNDCMKFHJZYMU-NHYWBVRUSA-N 1 1 309.366 1.321 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000928560172 713226545 /nfs/dbraw/zinc/22/65/45/713226545.db2.gz PHWXTRKOPPTWKG-SECBINFHSA-N 1 1 315.276 1.630 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000928560172 713226546 /nfs/dbraw/zinc/22/65/46/713226546.db2.gz PHWXTRKOPPTWKG-SECBINFHSA-N 1 1 315.276 1.630 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000928565722 713230800 /nfs/dbraw/zinc/23/08/00/713230800.db2.gz BIWCEQSBJOSXQU-AWEZNQCLSA-N 1 1 306.366 1.607 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C2(CF)CCOCC2)c1[N+](=O)[O-] ZINC000894695116 711240730 /nfs/dbraw/zinc/24/07/30/711240730.db2.gz MBKBINLTHFSURG-UHFFFAOYSA-N 1 1 314.313 1.917 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000895386250 711500061 /nfs/dbraw/zinc/50/00/61/711500061.db2.gz PIUCGUBEOSRVSC-XHDPSFHLSA-N 1 1 308.334 1.777 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000895515976 711531211 /nfs/dbraw/zinc/53/12/11/711531211.db2.gz YRQDJJSKZNFNFG-CMPLNLGQSA-N 1 1 310.350 1.759 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895570475 711545753 /nfs/dbraw/zinc/54/57/53/711545753.db2.gz UMDURPGDSTZAHN-RYUDHWBXSA-N 1 1 324.406 1.990 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895570475 711545755 /nfs/dbraw/zinc/54/57/55/711545755.db2.gz UMDURPGDSTZAHN-RYUDHWBXSA-N 1 1 324.406 1.990 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1(CNCC[N+](=O)[O-])CCOCC1 ZINC000905575021 712083416 /nfs/dbraw/zinc/08/34/16/712083416.db2.gz GIDVVWYYPKTGCD-UHFFFAOYSA-N 1 1 307.394 1.534 20 5 DDBDMO CN(Cc1ccccc1)C1(C[NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000905575021 712083419 /nfs/dbraw/zinc/08/34/19/712083419.db2.gz GIDVVWYYPKTGCD-UHFFFAOYSA-N 1 1 307.394 1.534 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908052259 712672233 /nfs/dbraw/zinc/67/22/33/712672233.db2.gz CAOPPTACMUFTSA-ZBFHGGJFSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000908512388 712793415 /nfs/dbraw/zinc/79/34/15/712793415.db2.gz LBZJLXMFZLQIGH-XEGUGMAKSA-N 1 1 307.350 1.227 20 5 DDBDMO C[NH+](C)C1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000916955212 713476014 /nfs/dbraw/zinc/47/60/14/713476014.db2.gz GHEHWXAGNMACHC-UHFFFAOYSA-N 1 1 317.342 1.105 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000930234497 713782942 /nfs/dbraw/zinc/78/29/42/713782942.db2.gz CGMSSZULCKLVAX-GFCCVEGCSA-N 1 1 321.377 1.883 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361978 713813615 /nfs/dbraw/zinc/81/36/15/713813615.db2.gz AWGXOEAAVUAMEK-DFBGVHRSSA-N 1 1 303.362 1.766 20 5 DDBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930360676 713813663 /nfs/dbraw/zinc/81/36/63/713813663.db2.gz NMXZULWMOWPGGL-HNNXBMFYSA-N 1 1 313.398 1.986 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932007475 714232931 /nfs/dbraw/zinc/23/29/31/714232931.db2.gz GOUHXGZNELCSAZ-LBPRGKRZSA-N 1 1 308.334 1.668 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177897 714279853 /nfs/dbraw/zinc/27/98/53/714279853.db2.gz GBXMZLOQTJFXNC-IUODEOHRSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177897 714279856 /nfs/dbraw/zinc/27/98/56/714279856.db2.gz GBXMZLOQTJFXNC-IUODEOHRSA-N 1 1 311.382 1.185 20 5 DDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336032 714319715 /nfs/dbraw/zinc/31/97/15/714319715.db2.gz UAYDNAZLCAQQLT-ZFWWWQNUSA-N 1 1 323.393 1.408 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371048 714331635 /nfs/dbraw/zinc/33/16/35/714331635.db2.gz URIYHHQVQCWIBF-NFFDBFGFSA-N 1 1 323.393 1.311 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000933438645 714589260 /nfs/dbraw/zinc/58/92/60/714589260.db2.gz BGSBDSMFPFMONP-CMPLNLGQSA-N 1 1 309.370 1.041 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933732336 714657631 /nfs/dbraw/zinc/65/76/31/714657631.db2.gz NSRHLZRNQMMFHC-DOMZBBRYSA-N 1 1 320.349 1.887 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933737203 714659642 /nfs/dbraw/zinc/65/96/42/714659642.db2.gz LYMSKPTXQGSOJR-KBMXLJTQSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989605 714717942 /nfs/dbraw/zinc/71/79/42/714717942.db2.gz SSJCOIXUVJNSLS-BDAKNGLRSA-N 1 1 313.741 1.043 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934121499 714747772 /nfs/dbraw/zinc/74/77/72/714747772.db2.gz NARZHFGRVQTBRZ-OLZOCXBDSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934121499 714747773 /nfs/dbraw/zinc/74/77/73/714747773.db2.gz NARZHFGRVQTBRZ-OLZOCXBDSA-N 1 1 323.349 1.651 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1F ZINC000934265788 714780003 /nfs/dbraw/zinc/78/00/03/714780003.db2.gz NPMPFAOUQJSPQG-HOTGVXAUSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC000934438048 714822245 /nfs/dbraw/zinc/82/22/45/714822245.db2.gz KEZWIDQPOYBANG-GDBMZVCRSA-N 1 1 316.361 1.327 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925408921 714846299 /nfs/dbraw/zinc/84/62/99/714846299.db2.gz MQODXDMWPYNNOP-AWEZNQCLSA-N 1 1 318.377 1.973 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164643044 719177692 /nfs/dbraw/zinc/17/76/92/719177692.db2.gz YWMJDCJFZDVXNV-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001164643044 719177702 /nfs/dbraw/zinc/17/77/02/719177702.db2.gz YWMJDCJFZDVXNV-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164664956 719386341 /nfs/dbraw/zinc/38/63/41/719386341.db2.gz DCKYTSDPZIORCL-QWRGUYRKSA-N 1 1 312.757 1.471 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ncnc2cc3ccccc3cc21 ZINC001167355188 733281279 /nfs/dbraw/zinc/28/12/79/733281279.db2.gz VCFGHAYEISYRMJ-UHFFFAOYSA-N 1 1 302.341 1.907 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CCC1 ZINC001025645214 736807333 /nfs/dbraw/zinc/80/73/33/736807333.db2.gz RHUSOGMYWOCXSI-ZSHCYNCHSA-N 1 1 315.373 1.941 20 5 DDBDMO CC(C)Oc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126942596 742932638 /nfs/dbraw/zinc/93/26/38/742932638.db2.gz CFIAVMXJBBIYSI-HUUCEWRRSA-N 1 1 321.377 1.345 20 5 DDBDMO CO[C@H]1CC[NH2+][C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001212240503 747104262 /nfs/dbraw/zinc/10/42/62/747104262.db2.gz ALHJPZUGDKGNLQ-IUCAKERBSA-N 1 1 323.284 1.618 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)NCC(C)C ZINC001200184831 748157053 /nfs/dbraw/zinc/15/70/53/748157053.db2.gz ITBAKGAJSCDNJA-UHFFFAOYSA-N 1 1 309.366 1.855 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)/C=C\C(C)(C)C ZINC001124884160 748595188 /nfs/dbraw/zinc/59/51/88/748595188.db2.gz YBIUPJKCYGGLMY-WAYWQWQTSA-N 1 1 309.370 1.136 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2cccs2)CC1 ZINC000996442074 749576598 /nfs/dbraw/zinc/57/65/98/749576598.db2.gz VGJBYKFGYBUOLA-ZIAGYGMSSA-N 1 1 323.418 1.536 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2cccnc2)CC1 ZINC001005377335 749943547 /nfs/dbraw/zinc/94/35/47/749943547.db2.gz BKXNYPODEHKWNV-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO COC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169022095 762201100 /nfs/dbraw/zinc/20/11/00/762201100.db2.gz MUZSECJYXQWMOG-KLHDSHLOSA-N 1 1 312.410 1.949 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053571 762208833 /nfs/dbraw/zinc/20/88/33/762208833.db2.gz ITPPFICTYNWZHF-UMVBOHGHSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400719 754282323 /nfs/dbraw/zinc/28/23/23/754282323.db2.gz VZOGKHXJLUHHTJ-ZIAGYGMSSA-N 1 1 323.418 1.742 20 5 DDBDMO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001020139032 760612613 /nfs/dbraw/zinc/61/26/13/760612613.db2.gz NOQNJUGZKMDIQQ-PRULPYPASA-N 1 1 324.406 1.162 20 5 DDBDMO Cc1[nH+]c(N)ccc1CNc1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001156980208 764255452 /nfs/dbraw/zinc/25/54/52/764255452.db2.gz FDJURLZXUDAEFS-UHFFFAOYSA-N 1 1 309.713 1.779 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093952429 775260297 /nfs/dbraw/zinc/26/02/97/775260297.db2.gz BZYYVOXTEPMMAK-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC001094221697 775543689 /nfs/dbraw/zinc/54/36/89/775543689.db2.gz NBXYGWHKYQTFBX-UHFFFAOYSA-N 1 1 307.354 1.002 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(CC)c1ccccc1[N+](=O)[O-] ZINC001100576710 776320322 /nfs/dbraw/zinc/32/03/22/776320322.db2.gz PJANZPMGZQJTNS-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO COC(=O)CO[C@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232457 777063563 /nfs/dbraw/zinc/06/35/63/777063563.db2.gz BLYAJHCEVDEJJQ-WFASDCNBSA-N 1 1 322.361 1.790 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233805 777064623 /nfs/dbraw/zinc/06/46/23/777064623.db2.gz YXFMNWGBDDMDQN-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC001173233805 777064630 /nfs/dbraw/zinc/06/46/30/777064630.db2.gz YXFMNWGBDDMDQN-WFASDCNBSA-N 1 1 321.377 1.315 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N(C)C2COC2)C1 ZINC001173234972 777064753 /nfs/dbraw/zinc/06/47/53/777064753.db2.gz VJYMVLKJIJHICO-GFCCVEGCSA-N 1 1 305.378 1.541 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101875457 777633186 /nfs/dbraw/zinc/63/31/86/777633186.db2.gz XKHCWGCUYCHALL-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO Nc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC001115989582 780464872 /nfs/dbraw/zinc/46/48/72/780464872.db2.gz UZDGOTDSYREACF-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC001116288533 780493072 /nfs/dbraw/zinc/49/30/72/780493072.db2.gz HGPFXGHAPQEFFN-LLVKDONJSA-N 1 1 304.354 1.521 20 5 DDBDMO Cc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001120059082 781741488 /nfs/dbraw/zinc/74/14/88/781741488.db2.gz CZZSBHCZNFTIBZ-PWSUYJOCSA-N 1 1 309.395 1.685 20 5 DDBDMO CCN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450020 840210586 /nfs/dbraw/zinc/21/05/86/840210586.db2.gz MYEXQJVLZUUKPL-CHWSQXEVSA-N 1 1 311.407 1.394 20 5 DDBDMO O=C(NC/C=C\C[NH2+]CCc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001268543988 840422646 /nfs/dbraw/zinc/42/26/46/840422646.db2.gz YFWJYDZPARIGDR-SQLJOLKNSA-N 1 1 321.352 1.295 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001142515876 861171120 /nfs/dbraw/zinc/17/11/20/861171120.db2.gz BMRLKZJIFURTIE-LBPRGKRZSA-N 1 1 306.366 1.760 20 5 DDBDMO C[NH+]1CC2(CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC001158859951 864942159 /nfs/dbraw/zinc/94/21/59/864942159.db2.gz SUWFIDFCWWHDCY-UHFFFAOYSA-N 1 1 318.711 1.940 20 5 DDBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001159743577 865495528 /nfs/dbraw/zinc/49/55/28/865495528.db2.gz JQGHEPNGUWHRDV-VIFPVBQESA-N 1 1 307.763 1.229 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001320963605 867157050 /nfs/dbraw/zinc/15/70/50/867157050.db2.gz VJHIBKUKEDXRQO-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2cccc([N+](=O)[O-])n2)C1 ZINC001163118138 868118099 /nfs/dbraw/zinc/11/80/99/868118099.db2.gz UJEJFDKNIQQDTD-GFCCVEGCSA-N 1 1 308.338 1.095 20 5 DDBDMO C[C@@H](CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001336754490 869125720 /nfs/dbraw/zinc/12/57/20/869125720.db2.gz LRQAONLEWKGULJ-STQMWFEESA-N 1 1 311.382 1.264 20 5 DDBDMO COc1c(O)ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001336813280 869160500 /nfs/dbraw/zinc/16/05/00/869160500.db2.gz PMLCHDQIIZKRHG-ZYHUDNBSSA-N 1 1 307.350 1.445 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001337837200 869651227 /nfs/dbraw/zinc/65/12/27/869651227.db2.gz YYQGGKGDUZPYOX-DDTOSNHZSA-N 1 1 304.350 1.368 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001166444188 870001801 /nfs/dbraw/zinc/00/18/01/870001801.db2.gz JRRINFJXYQBHHL-SNVBAGLBSA-N 1 1 306.366 1.780 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001308003184 871461687 /nfs/dbraw/zinc/46/16/87/871461687.db2.gz QBLXKRCTPWAZNO-AWEZNQCLSA-N 1 1 318.333 1.126 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CCc2occc21 ZINC001343188261 872530293 /nfs/dbraw/zinc/53/02/93/872530293.db2.gz OXLHJBMAVCLKHA-HNNXBMFYSA-N 1 1 315.329 1.734 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC001346118691 873616679 /nfs/dbraw/zinc/61/66/79/873616679.db2.gz WBIOQVOWTQMOKU-CYBMUJFWSA-N 1 1 306.318 1.338 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC001346118691 873616683 /nfs/dbraw/zinc/61/66/83/873616683.db2.gz WBIOQVOWTQMOKU-CYBMUJFWSA-N 1 1 306.318 1.338 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3cc(F)c([N+](=O)[O-])cc3CO)[C@H]2C1 ZINC001348566010 874636441 /nfs/dbraw/zinc/63/64/41/874636441.db2.gz UGPXSQJVIQVLJA-GAFUQQFSSA-N 1 1 309.341 1.978 20 5 DDBDMO CN1C(=O)C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001351401419 876231391 /nfs/dbraw/zinc/23/13/91/876231391.db2.gz VKFBOLUBSIDNLW-AAEUAGOBSA-N 1 1 315.732 1.617 20 5 DDBDMO CCOCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001231406526 885621308 /nfs/dbraw/zinc/62/13/08/885621308.db2.gz LJZVYVQPNUUNQI-UHFFFAOYSA-N 1 1 309.366 1.569 20 5 DDBDMO OC[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219312 886165711 /nfs/dbraw/zinc/16/57/11/886165711.db2.gz SOTSTVUVIYSOPA-WBVHZDCISA-N 1 1 323.396 1.958 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859548 892949067 /nfs/dbraw/zinc/94/90/67/892949067.db2.gz LFPFGSWILVNELD-CLJRNHLWSA-N 1 1 305.378 1.431 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC001262653564 900286341 /nfs/dbraw/zinc/28/63/41/900286341.db2.gz KOHXNOQTNKMFDQ-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451650895 231152095 /nfs/dbraw/zinc/15/20/95/231152095.db2.gz FZOCSQOJMNLWDR-TXEJJXNPSA-N 1 1 311.357 1.621 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278783617 214398993 /nfs/dbraw/zinc/39/89/93/214398993.db2.gz DIJKDUIMRPFARB-MRXNPFEDSA-N 1 1 319.361 1.706 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000452135388 231315600 /nfs/dbraw/zinc/31/56/00/231315600.db2.gz VWWUZLUEUSBKAP-DZGCQCFKSA-N 1 1 324.377 1.429 20 5 DDBDMO COC[C@](C)(CCO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286587230 219067851 /nfs/dbraw/zinc/06/78/51/219067851.db2.gz WXSUTTDIMLHPLW-ZDUSSCGKSA-N 1 1 304.293 1.750 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC(O)C1 ZINC000615507317 362312535 /nfs/dbraw/zinc/31/25/35/362312535.db2.gz BOAISLNUCXCJCV-UHFFFAOYSA-N 1 1 308.334 1.569 20 5 DDBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000281396110 282334863 /nfs/dbraw/zinc/33/48/63/282334863.db2.gz NENUUOAIPBNOGN-AWEZNQCLSA-N 1 1 304.354 1.752 20 5 DDBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000281396110 282334864 /nfs/dbraw/zinc/33/48/64/282334864.db2.gz NENUUOAIPBNOGN-AWEZNQCLSA-N 1 1 304.354 1.752 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000458207236 530054829 /nfs/dbraw/zinc/05/48/29/530054829.db2.gz JFNUQVFPJVONCU-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272663209 210066717 /nfs/dbraw/zinc/06/67/17/210066717.db2.gz IFNLNRGLFWEVJV-NEPJUHHUSA-N 1 1 307.350 1.903 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000272621870 210024190 /nfs/dbraw/zinc/02/41/90/210024190.db2.gz UVHHPDIMZDTJPU-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000266863574 186363233 /nfs/dbraw/zinc/36/32/33/186363233.db2.gz LEUAZICMFWRSTO-LBPRGKRZSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000266863574 186363234 /nfs/dbraw/zinc/36/32/34/186363234.db2.gz LEUAZICMFWRSTO-LBPRGKRZSA-N 1 1 320.267 1.973 20 5 DDBDMO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057713381 352825814 /nfs/dbraw/zinc/82/58/14/352825814.db2.gz UXFKKSOWYPLXEK-GFCCVEGCSA-N 1 1 320.393 1.996 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000060567490 352876358 /nfs/dbraw/zinc/87/63/58/352876358.db2.gz HYJWIIMMGVFQRA-ZFWWWQNUSA-N 1 1 303.362 1.880 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000063464912 352912863 /nfs/dbraw/zinc/91/28/63/352912863.db2.gz NQPHQACOSZDFDO-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072977169 191261868 /nfs/dbraw/zinc/26/18/68/191261868.db2.gz VBUIJGMBZHQSDZ-LBPRGKRZSA-N 1 1 321.377 1.942 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000074105512 353292525 /nfs/dbraw/zinc/29/25/25/353292525.db2.gz CMTWVNJZTJUVII-ZDUSSCGKSA-N 1 1 321.377 1.364 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174329867 198320168 /nfs/dbraw/zinc/32/01/68/198320168.db2.gz UMHLTFHMGWLTJB-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000174329867 198320170 /nfs/dbraw/zinc/32/01/70/198320170.db2.gz UMHLTFHMGWLTJB-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[N@@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174736486 198378627 /nfs/dbraw/zinc/37/86/27/198378627.db2.gz NYOJPIKNUKLFGG-MRXNPFEDSA-N 1 1 318.377 1.717 20 5 DDBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000077934087 353497487 /nfs/dbraw/zinc/49/74/87/353497487.db2.gz VPAONYNDLPJASJ-JTQLQIEISA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1n[nH]c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000080717906 353625446 /nfs/dbraw/zinc/62/54/46/353625446.db2.gz MEDQDWQZSLOIQF-FGWVZKOKSA-N 1 1 307.354 1.371 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894448 353838249 /nfs/dbraw/zinc/83/82/49/353838249.db2.gz YOIGVTNQFISGOK-OAHLLOKOSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894448 353838252 /nfs/dbraw/zinc/83/82/52/353838252.db2.gz YOIGVTNQFISGOK-OAHLLOKOSA-N 1 1 320.324 1.350 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108299169 353948960 /nfs/dbraw/zinc/94/89/60/353948960.db2.gz WDWPHJIVBATRHB-LBPRGKRZSA-N 1 1 304.350 1.512 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108307430 353950299 /nfs/dbraw/zinc/95/02/99/353950299.db2.gz SMJUTGSIRMKRPW-LLVKDONJSA-N 1 1 307.325 1.948 20 5 DDBDMO Cc1nn(C[C@H](O)C[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000303369521 354462484 /nfs/dbraw/zinc/46/24/84/354462484.db2.gz JTWTWUWOEDDCMG-OAHLLOKOSA-N 1 1 318.377 1.901 20 5 DDBDMO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCS1(=O)=O ZINC000313326732 354478838 /nfs/dbraw/zinc/47/88/38/354478838.db2.gz KOQNYWCQQYFSDP-PRHODGIISA-N 1 1 318.782 1.913 20 5 DDBDMO CN(CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000590046411 355043406 /nfs/dbraw/zinc/04/34/06/355043406.db2.gz CKRSECMEWLYSPC-WFASDCNBSA-N 1 1 318.377 1.194 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590442360 355096591 /nfs/dbraw/zinc/09/65/91/355096591.db2.gz FNKLKDCVNYVVSW-WCQYABFASA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776544 355176281 /nfs/dbraw/zinc/17/62/81/355176281.db2.gz WTRAZEUXFVHQJA-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC000591147175 355255148 /nfs/dbraw/zinc/25/51/48/355255148.db2.gz BRTZVXQXCRBBSK-GFCCVEGCSA-N 1 1 323.372 1.345 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000592129661 355507282 /nfs/dbraw/zinc/50/72/82/355507282.db2.gz NFLJWLOYOILDES-ZYHUDNBSSA-N 1 1 308.334 1.844 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000594198979 356137903 /nfs/dbraw/zinc/13/79/03/356137903.db2.gz WXAPPBXZEBOZSJ-WDEREUQCSA-N 1 1 307.354 1.075 20 5 DDBDMO CC(C)c1ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594613716 356266456 /nfs/dbraw/zinc/26/64/56/356266456.db2.gz RDZUPQVFXXOYOW-LSDHHAIUSA-N 1 1 319.405 1.969 20 5 DDBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH3+] ZINC000595229403 356412346 /nfs/dbraw/zinc/41/23/46/356412346.db2.gz XJBZKMWIYJMBPI-KCJUWKMLSA-N 1 1 303.322 1.280 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000595597520 356569275 /nfs/dbraw/zinc/56/92/75/356569275.db2.gz QRTXOPBDJJUCQX-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1COCCO1 ZINC000595738010 356629156 /nfs/dbraw/zinc/62/91/56/356629156.db2.gz UUDJBLBKBVADAM-SMDDNHRTSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595738010 356629158 /nfs/dbraw/zinc/62/91/58/356629158.db2.gz UUDJBLBKBVADAM-SMDDNHRTSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760624 356642036 /nfs/dbraw/zinc/64/20/36/356642036.db2.gz UWYPFBDHFMEFMV-CZUORRHYSA-N 1 1 320.345 1.930 20 5 DDBDMO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCOCC1 ZINC000596113922 356776939 /nfs/dbraw/zinc/77/69/39/356776939.db2.gz FBFHWMGQHMKLNZ-WDEREUQCSA-N 1 1 322.365 1.215 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000596232927 356826277 /nfs/dbraw/zinc/82/62/77/356826277.db2.gz UFCBBOCIQYUSJZ-QYJAPNMZSA-N 1 1 318.377 1.755 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CCCOCC3)CC2)s1 ZINC000596268652 356839095 /nfs/dbraw/zinc/83/90/95/356839095.db2.gz NPRSULHMEGKWCG-UHFFFAOYSA-N 1 1 312.395 1.742 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000597682504 357283528 /nfs/dbraw/zinc/28/35/28/357283528.db2.gz PQUGPTKKMJLRKD-UHFFFAOYSA-N 1 1 323.324 1.138 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000597709974 357296090 /nfs/dbraw/zinc/29/60/90/357296090.db2.gz FLWCXBHYNRBZHP-HNNXBMFYSA-N 1 1 320.349 1.253 20 5 DDBDMO COC(=O)c1ccnc(NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000598592662 357645278 /nfs/dbraw/zinc/64/52/78/357645278.db2.gz LHCKTVBCJOSSDF-VIFPVBQESA-N 1 1 308.338 1.671 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598746059 357714420 /nfs/dbraw/zinc/71/44/20/357714420.db2.gz QKGAXGWTDAUWJX-SECBINFHSA-N 1 1 308.338 1.298 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000599137646 357826730 /nfs/dbraw/zinc/82/67/30/357826730.db2.gz ARVKLQWEIGQFLR-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199800 357847767 /nfs/dbraw/zinc/84/77/67/357847767.db2.gz QRUNJJXQAZALOU-NSHDSACASA-N 1 1 323.349 1.168 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000600228815 358163730 /nfs/dbraw/zinc/16/37/30/358163730.db2.gz GCFURIBEROCQMH-LLVKDONJSA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601006290 358379027 /nfs/dbraw/zinc/37/90/27/358379027.db2.gz UNHAHNGHXWANRE-SNVBAGLBSA-N 1 1 307.325 1.948 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601109662 358405610 /nfs/dbraw/zinc/40/56/10/358405610.db2.gz WGIISJIPOZEVHZ-SSDOTTSWSA-N 1 1 319.287 1.996 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC([NH+]2CCOCC2)CC1 ZINC000601197519 358443539 /nfs/dbraw/zinc/44/35/39/358443539.db2.gz CGQRUNTUNSTCBC-UHFFFAOYSA-N 1 1 310.329 1.430 20 5 DDBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@](C)(O)C1CC1 ZINC000601956535 358752913 /nfs/dbraw/zinc/75/29/13/358752913.db2.gz RUNLZTJFGASDIC-ZBFHGGJFSA-N 1 1 308.378 1.939 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@](C)(O)C1CC1 ZINC000601956535 358752917 /nfs/dbraw/zinc/75/29/17/358752917.db2.gz RUNLZTJFGASDIC-ZBFHGGJFSA-N 1 1 308.378 1.939 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000602782544 359187146 /nfs/dbraw/zinc/18/71/46/359187146.db2.gz CSJMQSHSYFHWGH-UONOGXRCSA-N 1 1 307.398 1.516 20 5 DDBDMO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000602720618 359148140 /nfs/dbraw/zinc/14/81/40/359148140.db2.gz JEJTXHDSMPBBTI-UHFFFAOYSA-N 1 1 316.365 1.800 20 5 DDBDMO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000602720618 359148143 /nfs/dbraw/zinc/14/81/43/359148143.db2.gz JEJTXHDSMPBBTI-UHFFFAOYSA-N 1 1 316.365 1.800 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000602845301 359234184 /nfs/dbraw/zinc/23/41/84/359234184.db2.gz HKBGJMGJFCJPDG-LBPRGKRZSA-N 1 1 309.370 1.089 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824934 359218791 /nfs/dbraw/zinc/21/87/91/359218791.db2.gz FTCUBGLUAXIOBJ-CYBMUJFWSA-N 1 1 323.397 1.480 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000602914517 359292119 /nfs/dbraw/zinc/29/21/19/359292119.db2.gz FVRMCLBWQQTHKO-JHJVBQTASA-N 1 1 322.365 1.492 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000602914517 359292123 /nfs/dbraw/zinc/29/21/23/359292123.db2.gz FVRMCLBWQQTHKO-JHJVBQTASA-N 1 1 322.365 1.492 20 5 DDBDMO Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2ncc([N+](=O)[O-])cc12 ZINC000603329646 359572321 /nfs/dbraw/zinc/57/23/21/359572321.db2.gz YELXQPWHZRXZJK-BETUJISGSA-N 1 1 317.349 1.511 20 5 DDBDMO Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2ncc([N+](=O)[O-])cc12 ZINC000603329646 359572326 /nfs/dbraw/zinc/57/23/26/359572326.db2.gz YELXQPWHZRXZJK-BETUJISGSA-N 1 1 317.349 1.511 20 5 DDBDMO COc1cc([N+](=O)[O-])cn(CCCCn2cc[nH+]c2C)c1=O ZINC000603360432 359591922 /nfs/dbraw/zinc/59/19/22/359591922.db2.gz ZZUUACQQTHHYGH-UHFFFAOYSA-N 1 1 306.322 1.750 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187152934 200069314 /nfs/dbraw/zinc/06/93/14/200069314.db2.gz YMTUUGVSDHYAAQ-JTQLQIEISA-N 1 1 308.338 1.109 20 5 DDBDMO Cc1c(NC(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000187439797 200112780 /nfs/dbraw/zinc/11/27/80/200112780.db2.gz OONTVTACTNDHRH-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO CO[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189289042 200376859 /nfs/dbraw/zinc/37/68/59/200376859.db2.gz JTFVLQOWJJIDGS-WFASDCNBSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189289042 200376861 /nfs/dbraw/zinc/37/68/61/200376861.db2.gz JTFVLQOWJJIDGS-WFASDCNBSA-N 1 1 321.377 1.914 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000609269404 360285418 /nfs/dbraw/zinc/28/54/18/360285418.db2.gz PRCIKOCHYQTKBI-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802170 360351347 /nfs/dbraw/zinc/35/13/47/360351347.db2.gz BZFHBTDBOUNCKP-ZDUSSCGKSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802170 360351350 /nfs/dbraw/zinc/35/13/50/360351350.db2.gz BZFHBTDBOUNCKP-ZDUSSCGKSA-N 1 1 305.382 1.570 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000610177827 360388248 /nfs/dbraw/zinc/38/82/48/360388248.db2.gz HUXVWSPPVVOONH-AAEUAGOBSA-N 1 1 308.382 1.736 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000611560952 360760214 /nfs/dbraw/zinc/76/02/14/360760214.db2.gz SLJNYCXUXIQSJK-CYBMUJFWSA-N 1 1 304.350 1.778 20 5 DDBDMO C[N@H+](C1CC(O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000612741057 361129827 /nfs/dbraw/zinc/12/98/27/361129827.db2.gz ZKZLFYRTERGFDY-JXQTWKCFSA-N 1 1 305.334 1.155 20 5 DDBDMO C[N@@H+](C1CC(O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000612741057 361129828 /nfs/dbraw/zinc/12/98/28/361129828.db2.gz ZKZLFYRTERGFDY-JXQTWKCFSA-N 1 1 305.334 1.155 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000194632412 201266267 /nfs/dbraw/zinc/26/62/67/201266267.db2.gz WTYVKCHSCUIKMR-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619255008 363946702 /nfs/dbraw/zinc/94/67/02/363946702.db2.gz SIMWKWIQUFEUSC-KGLIPLIRSA-N 1 1 322.340 1.557 20 5 DDBDMO Cc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245717506 202540097 /nfs/dbraw/zinc/54/00/97/202540097.db2.gz HGWBWQIDUHATOL-KGLIPLIRSA-N 1 1 307.394 1.790 20 5 DDBDMO COC(=O)c1cc(NC(=O)CC(F)(F)C[NH3+])cc([N+](=O)[O-])c1 ZINC000566404640 304150585 /nfs/dbraw/zinc/15/05/85/304150585.db2.gz TYYBXWXQPDIULJ-UHFFFAOYSA-N 1 1 317.248 1.304 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264939351 204286505 /nfs/dbraw/zinc/28/65/05/204286505.db2.gz VJMUCCSPRPEXSX-LLVKDONJSA-N 1 1 302.334 1.900 20 5 DDBDMO CC(C)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200780 284308312 /nfs/dbraw/zinc/30/83/12/284308312.db2.gz JOUNYNDRUJWCDV-HOCLYGCPSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200780 284308315 /nfs/dbraw/zinc/30/83/15/284308315.db2.gz JOUNYNDRUJWCDV-HOCLYGCPSA-N 1 1 324.377 1.691 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261993351 296227854 /nfs/dbraw/zinc/22/78/54/296227854.db2.gz PDYQANYAAVAKEZ-LLVKDONJSA-N 1 1 302.290 1.370 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000341064909 251364897 /nfs/dbraw/zinc/36/48/97/251364897.db2.gz HKNBFJXEHZCWPL-TXEJJXNPSA-N 1 1 308.382 1.926 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000193246981 291820506 /nfs/dbraw/zinc/82/05/06/291820506.db2.gz PMOPKSVWCQBKJE-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000119623499 195005360 /nfs/dbraw/zinc/00/53/60/195005360.db2.gz UDMGNNVOXJSSRG-GFCCVEGCSA-N 1 1 320.393 1.885 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cs1 ZINC000174024712 285086417 /nfs/dbraw/zinc/08/64/17/285086417.db2.gz BZHBIAVGJVULMY-ZDUSSCGKSA-N 1 1 311.407 1.953 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)cs1 ZINC000174024712 285086420 /nfs/dbraw/zinc/08/64/20/285086420.db2.gz BZHBIAVGJVULMY-ZDUSSCGKSA-N 1 1 311.407 1.953 20 5 DDBDMO C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC001120489017 781979832 /nfs/dbraw/zinc/97/98/32/781979832.db2.gz MEGIXRQYSVWZEM-OLZOCXBDSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN(C)C ZINC001120489017 781979841 /nfs/dbraw/zinc/97/98/41/781979841.db2.gz MEGIXRQYSVWZEM-OLZOCXBDSA-N 1 1 311.382 1.122 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451539477 533413644 /nfs/dbraw/zinc/41/36/44/533413644.db2.gz FISFUGJRPFNBHY-XNRPHZJLSA-N 1 1 324.377 1.691 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330918567 533604077 /nfs/dbraw/zinc/60/40/77/533604077.db2.gz XMDBFEPJPFLFJU-NEPJUHHUSA-N 1 1 307.350 1.573 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000123486634 291993164 /nfs/dbraw/zinc/99/31/64/291993164.db2.gz QCPNDMVIOUGOBW-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO O=C1N=NCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000568468658 304294131 /nfs/dbraw/zinc/29/41/31/304294131.db2.gz KYUMSLVBTFFARI-UHFFFAOYSA-N 1 1 303.322 1.729 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000569453296 304355234 /nfs/dbraw/zinc/35/52/34/304355234.db2.gz UVMIDDYHOWZRER-YUELXQCFSA-N 1 1 324.381 1.043 20 5 DDBDMO CC[N@H+](CCCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266578707 407566972 /nfs/dbraw/zinc/56/69/72/407566972.db2.gz QTVAVDMISUTMEQ-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO CC[N@@H+](CCCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000266578707 407566976 /nfs/dbraw/zinc/56/69/76/407566976.db2.gz QTVAVDMISUTMEQ-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000081573401 407077889 /nfs/dbraw/zinc/07/78/89/407077889.db2.gz GWEXASAPDQAIKV-RCBQFDQVSA-N 1 1 316.361 1.845 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000089205059 407126163 /nfs/dbraw/zinc/12/61/63/407126163.db2.gz YFOOVIBRUHPNEI-GFCCVEGCSA-N 1 1 319.321 1.130 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000089205059 407126164 /nfs/dbraw/zinc/12/61/64/407126164.db2.gz YFOOVIBRUHPNEI-GFCCVEGCSA-N 1 1 319.321 1.130 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000052101699 407148126 /nfs/dbraw/zinc/14/81/26/407148126.db2.gz KIHBIMCPHWAUKI-ZFWWWQNUSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107892515 407381333 /nfs/dbraw/zinc/38/13/33/407381333.db2.gz AGVLSJVTKKGBLC-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320758 407407613 /nfs/dbraw/zinc/40/76/13/407407613.db2.gz FRLBOFORXPRZPD-FMVWZJFZSA-N 1 1 319.361 1.910 20 5 DDBDMO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261755502 407602996 /nfs/dbraw/zinc/60/29/96/407602996.db2.gz UIOJDCYDRIOFCW-SNVBAGLBSA-N 1 1 319.358 1.386 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167442 407614380 /nfs/dbraw/zinc/61/43/80/407614380.db2.gz RHMNXHSEFLHYFC-UHFFFAOYSA-N 1 1 308.382 1.777 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171626206 407723302 /nfs/dbraw/zinc/72/33/02/407723302.db2.gz BEDVKTIRAKAEAY-HUUCEWRRSA-N 1 1 321.377 1.115 20 5 DDBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000171649831 407733816 /nfs/dbraw/zinc/73/38/16/407733816.db2.gz HCIAYNMIZCLYMU-LLVKDONJSA-N 1 1 306.366 1.877 20 5 DDBDMO Nc1c(C(=O)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000267235922 407800938 /nfs/dbraw/zinc/80/09/38/407800938.db2.gz HPBGRLFUCPTISE-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000117293619 407822278 /nfs/dbraw/zinc/82/22/78/407822278.db2.gz AAZIQNCRMSPTET-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000117293619 407822284 /nfs/dbraw/zinc/82/22/84/407822284.db2.gz AAZIQNCRMSPTET-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187253162 407838440 /nfs/dbraw/zinc/83/84/40/407838440.db2.gz SYAJZLSPPHLKHE-GFUIURDCSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187253162 407838446 /nfs/dbraw/zinc/83/84/46/407838446.db2.gz SYAJZLSPPHLKHE-GFUIURDCSA-N 1 1 319.361 1.133 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268242969 407965422 /nfs/dbraw/zinc/96/54/22/407965422.db2.gz VGABIQLVQBMZAW-GXFFZTMASA-N 1 1 319.361 1.816 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272544365 407976259 /nfs/dbraw/zinc/97/62/59/407976259.db2.gz CJDIWVPGXCXKDV-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189433362 408014624 /nfs/dbraw/zinc/01/46/24/408014624.db2.gz VKIAMGDDGALDCM-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189433362 408014632 /nfs/dbraw/zinc/01/46/32/408014632.db2.gz VKIAMGDDGALDCM-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000182116292 408075684 /nfs/dbraw/zinc/07/56/84/408075684.db2.gz BMDZQYWIMBULOX-ZDUSSCGKSA-N 1 1 321.377 1.664 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273138613 408077528 /nfs/dbraw/zinc/07/75/28/408077528.db2.gz DIUHYVKXVPUMPY-PHIMTYICSA-N 1 1 309.370 1.685 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273138613 408077535 /nfs/dbraw/zinc/07/75/35/408077535.db2.gz DIUHYVKXVPUMPY-PHIMTYICSA-N 1 1 309.370 1.685 20 5 DDBDMO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136222824 408088572 /nfs/dbraw/zinc/08/85/72/408088572.db2.gz RPCMQAWIZYEADS-QWRGUYRKSA-N 1 1 309.370 1.416 20 5 DDBDMO C[N@@H+](CCOCC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273322230 408152758 /nfs/dbraw/zinc/15/27/58/408152758.db2.gz KJFULLBUGGMGMC-CQSZACIVSA-N 1 1 324.377 1.693 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155619889 408187232 /nfs/dbraw/zinc/18/72/32/408187232.db2.gz PTIGPIYXZLPPAI-UHFFFAOYSA-N 1 1 315.395 1.354 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000175729227 408188647 /nfs/dbraw/zinc/18/86/47/408188647.db2.gz BYCCSKXKZZMPGR-DTWKUNHWSA-N 1 1 307.354 1.235 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000246383065 408237324 /nfs/dbraw/zinc/23/73/24/408237324.db2.gz OTVMHRMIFUDWKR-OLZOCXBDSA-N 1 1 318.377 1.702 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263772430 408250162 /nfs/dbraw/zinc/25/01/62/408250162.db2.gz SWPXVWGPLKIDJB-UHFFFAOYSA-N 1 1 306.366 1.526 20 5 DDBDMO Cc1c(NC(=O)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122189025 408264702 /nfs/dbraw/zinc/26/47/02/408264702.db2.gz SQVINETZBSOECB-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190812974 408323674 /nfs/dbraw/zinc/32/36/74/408323674.db2.gz QCZUFQJSBNLLME-QWHCGFSZSA-N 1 1 312.366 1.427 20 5 DDBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000263962865 408329086 /nfs/dbraw/zinc/32/90/86/408329086.db2.gz PVCJHHWKZIXTPK-UHFFFAOYSA-N 1 1 322.413 1.915 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000269432252 408305678 /nfs/dbraw/zinc/30/56/78/408305678.db2.gz BTHQFUYOZZLRGS-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000176307172 408337545 /nfs/dbraw/zinc/33/75/45/408337545.db2.gz RLPIFOJGEXFGQH-OLZOCXBDSA-N 1 1 318.377 1.876 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000269671883 408384059 /nfs/dbraw/zinc/38/40/59/408384059.db2.gz XJVLLUXMGXTCGN-SNVBAGLBSA-N 1 1 300.309 1.531 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000269671883 408384063 /nfs/dbraw/zinc/38/40/63/408384063.db2.gz XJVLLUXMGXTCGN-SNVBAGLBSA-N 1 1 300.309 1.531 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264166415 408387490 /nfs/dbraw/zinc/38/74/90/408387490.db2.gz JUJWUZXZTMRTCS-LBPRGKRZSA-N 1 1 307.350 1.384 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274574852 408456522 /nfs/dbraw/zinc/45/65/22/408456522.db2.gz GIXBHDJVRZCXGW-INIZCTEOSA-N 1 1 322.361 1.873 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000269745457 408413850 /nfs/dbraw/zinc/41/38/50/408413850.db2.gz XREKLIDGSAFKDW-AWEZNQCLSA-N 1 1 321.377 1.283 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247545933 408491659 /nfs/dbraw/zinc/49/16/59/408491659.db2.gz YIPSKNDDUFMRJG-GXTWGEPZSA-N 1 1 323.397 1.370 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402006 408475789 /nfs/dbraw/zinc/47/57/89/408475789.db2.gz HSGGWECHQXAKEF-AAEUAGOBSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000264402006 408475795 /nfs/dbraw/zinc/47/57/95/408475795.db2.gz HSGGWECHQXAKEF-AAEUAGOBSA-N 1 1 307.350 1.769 20 5 DDBDMO CC1(O)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000177312747 408577048 /nfs/dbraw/zinc/57/70/48/408577048.db2.gz ZJAYHVASMUBDEI-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275544140 408596161 /nfs/dbraw/zinc/59/61/61/408596161.db2.gz ZLRIYRBXYMLJQS-HIFRSBDPSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000161817624 408642448 /nfs/dbraw/zinc/64/24/48/408642448.db2.gz BAAQAKIDVUIQEN-SNVBAGLBSA-N 1 1 307.354 1.407 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248880619 408654222 /nfs/dbraw/zinc/65/42/22/408654222.db2.gz WVPGHUACUMNUMJ-LOWVWBTDSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248880619 408654224 /nfs/dbraw/zinc/65/42/24/408654224.db2.gz WVPGHUACUMNUMJ-LOWVWBTDSA-N 1 1 308.338 1.065 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250817943 408779712 /nfs/dbraw/zinc/77/97/12/408779712.db2.gz WIODLFDGQKXGAM-QWRGUYRKSA-N 1 1 312.757 1.918 20 5 DDBDMO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797768 408834461 /nfs/dbraw/zinc/83/44/61/408834461.db2.gz PDQXNBHHDRBPMK-ZDUSSCGKSA-N 1 1 308.334 1.631 20 5 DDBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285746207 408855752 /nfs/dbraw/zinc/85/57/52/408855752.db2.gz HJXCSRZJABAVCB-GHMZBOCLSA-N 1 1 321.381 1.701 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000280914794 408858151 /nfs/dbraw/zinc/85/81/51/408858151.db2.gz FGIKPOUAUZGSDP-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCO ZINC000281622747 408898619 /nfs/dbraw/zinc/89/86/19/408898619.db2.gz HRCOTUPBEBKQTN-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCO ZINC000281622747 408898622 /nfs/dbraw/zinc/89/86/22/408898622.db2.gz HRCOTUPBEBKQTN-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CN1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191137480 163174657 /nfs/dbraw/zinc/17/46/57/163174657.db2.gz VBKYJCOWELWKSO-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277508386 408954563 /nfs/dbraw/zinc/95/45/63/408954563.db2.gz KRUFBJJJAMRANU-GFCCVEGCSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286328481 408964833 /nfs/dbraw/zinc/96/48/33/408964833.db2.gz LHOVSEPJMQOGTQ-WCQYABFASA-N 1 1 306.366 1.476 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292151111 408991283 /nfs/dbraw/zinc/99/12/83/408991283.db2.gz ILODXHJZCBBUQR-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO CC(=O)c1cc(NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000287520510 409049825 /nfs/dbraw/zinc/04/98/25/409049825.db2.gz VFWMDQAQLAUZGM-ZDUSSCGKSA-N 1 1 306.366 1.455 20 5 DDBDMO CC(=O)c1cc(NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000287520510 409049826 /nfs/dbraw/zinc/04/98/26/409049826.db2.gz VFWMDQAQLAUZGM-ZDUSSCGKSA-N 1 1 306.366 1.455 20 5 DDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000278398502 409080370 /nfs/dbraw/zinc/08/03/70/409080370.db2.gz WCFCSRITTLIYLB-ZBFHGGJFSA-N 1 1 324.377 1.441 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283648969 409191139 /nfs/dbraw/zinc/19/11/39/409191139.db2.gz CUROZUDNUWCDAA-VIFPVBQESA-N 1 1 312.345 1.776 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C2CC2)O1 ZINC000279453510 409217268 /nfs/dbraw/zinc/21/72/68/409217268.db2.gz ZQIHUAFFVWWTJW-BXUZGUMPSA-N 1 1 307.350 1.256 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C2CC2)O1 ZINC000279453510 409217272 /nfs/dbraw/zinc/21/72/72/409217272.db2.gz ZQIHUAFFVWWTJW-BXUZGUMPSA-N 1 1 307.350 1.256 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000294128154 409245774 /nfs/dbraw/zinc/24/57/74/409245774.db2.gz MECLBPKDIMLTRX-HNNXBMFYSA-N 1 1 321.381 1.126 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000294313458 409277433 /nfs/dbraw/zinc/27/74/33/409277433.db2.gz WMVLZHSAUVWTJY-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000280335421 409294010 /nfs/dbraw/zinc/29/40/10/409294010.db2.gz VRCZFTABKOCHCG-UHFFFAOYSA-N 1 1 315.333 1.463 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1F ZINC000294570842 409294625 /nfs/dbraw/zinc/29/46/25/409294625.db2.gz PCXDYJHIPVCKLQ-UHFFFAOYSA-N 1 1 311.313 1.567 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000280400034 409306929 /nfs/dbraw/zinc/30/69/29/409306929.db2.gz AJGNOOXPWZFPDL-UHFFFAOYSA-N 1 1 321.377 1.835 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000284269179 409308374 /nfs/dbraw/zinc/30/83/74/409308374.db2.gz GUUBLVWFPPMXQL-KBPBESRZSA-N 1 1 307.394 1.790 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284923289 409371270 /nfs/dbraw/zinc/37/12/70/409371270.db2.gz UDBBXQCDVTWMIZ-HOCLYGCPSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280507073 409333184 /nfs/dbraw/zinc/33/31/84/409333184.db2.gz NINIUUHUPPEYNQ-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280507073 409333189 /nfs/dbraw/zinc/33/31/89/409333189.db2.gz NINIUUHUPPEYNQ-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285377174 409418336 /nfs/dbraw/zinc/41/83/36/409418336.db2.gz MWOBPQRVCHTYBD-JTQLQIEISA-N 1 1 318.337 1.554 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000321723623 164044445 /nfs/dbraw/zinc/04/44/45/164044445.db2.gz ZXTUUSQAZQLYMG-STQMWFEESA-N 1 1 318.377 1.993 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322079791 164045719 /nfs/dbraw/zinc/04/57/19/164045719.db2.gz RLLRZYRAVVMPMR-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322079791 164045720 /nfs/dbraw/zinc/04/57/20/164045720.db2.gz RLLRZYRAVVMPMR-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322079791 164045723 /nfs/dbraw/zinc/04/57/23/164045723.db2.gz RLLRZYRAVVMPMR-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000408029606 164203571 /nfs/dbraw/zinc/20/35/71/164203571.db2.gz UWLQOFPMZNTXFY-KBPBESRZSA-N 1 1 304.350 1.655 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000331533979 409612042 /nfs/dbraw/zinc/61/20/42/409612042.db2.gz POWVGFFLXBATOO-TVQRCGJNSA-N 1 1 307.325 1.946 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000346185036 409851151 /nfs/dbraw/zinc/85/11/51/409851151.db2.gz GNBHNVMYNZQDTE-OLZOCXBDSA-N 1 1 308.382 1.171 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000346325888 409917883 /nfs/dbraw/zinc/91/78/83/409917883.db2.gz RRRDAOYGYDFOES-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297855314 410025952 /nfs/dbraw/zinc/02/59/52/410025952.db2.gz TXIKWKJAJGQPOZ-CQSZACIVSA-N 1 1 305.338 1.549 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000332272984 410032063 /nfs/dbraw/zinc/03/20/63/410032063.db2.gz PYJLSUGWGIQJPY-NSHDSACASA-N 1 1 316.361 1.781 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000332272984 410032067 /nfs/dbraw/zinc/03/20/67/410032067.db2.gz PYJLSUGWGIQJPY-NSHDSACASA-N 1 1 316.361 1.781 20 5 DDBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCOC ZINC000346659760 410064524 /nfs/dbraw/zinc/06/45/24/410064524.db2.gz RILQGZCMTBFTIG-LBPRGKRZSA-N 1 1 311.386 1.265 20 5 DDBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCCCC1 ZINC000332430614 410152316 /nfs/dbraw/zinc/15/23/16/410152316.db2.gz GYKUNIDBQVTMFH-UHFFFAOYSA-N 1 1 318.377 1.751 20 5 DDBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000351700901 410160480 /nfs/dbraw/zinc/16/04/80/410160480.db2.gz TUWAYWZQIUKYRJ-OLZOCXBDSA-N 1 1 323.397 1.561 20 5 DDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCC[C@H](C)C1 ZINC000298755316 410382812 /nfs/dbraw/zinc/38/28/12/410382812.db2.gz YACISCNPJBTAGD-QWRGUYRKSA-N 1 1 321.381 1.621 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000355334937 410452658 /nfs/dbraw/zinc/45/26/58/410452658.db2.gz IYSZYIIFBBPWDS-UHFFFAOYSA-N 1 1 321.381 1.652 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000355330169 410448463 /nfs/dbraw/zinc/44/84/63/410448463.db2.gz DIGHWYFTKILXIP-UHFFFAOYSA-N 1 1 322.340 1.698 20 5 DDBDMO Nc1nc(NCC[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000299040599 410495867 /nfs/dbraw/zinc/49/58/67/410495867.db2.gz CJZNDAMPIKSAGS-UHFFFAOYSA-N 1 1 320.378 1.499 20 5 DDBDMO Nc1nc(NCC[N@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000299040599 410495872 /nfs/dbraw/zinc/49/58/72/410495872.db2.gz CJZNDAMPIKSAGS-UHFFFAOYSA-N 1 1 320.378 1.499 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347358661 410493122 /nfs/dbraw/zinc/49/31/22/410493122.db2.gz LHFYVTZGTRSOBY-BXVLGRBHSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000347358661 410493125 /nfs/dbraw/zinc/49/31/25/410493125.db2.gz LHFYVTZGTRSOBY-BXVLGRBHSA-N 1 1 319.361 1.573 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352191070 410534882 /nfs/dbraw/zinc/53/48/82/410534882.db2.gz SEVXYCHTDBMKNK-JTQLQIEISA-N 1 1 311.313 1.641 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352185434 410530571 /nfs/dbraw/zinc/53/05/71/410530571.db2.gz CJMXVBAGUNIJFI-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CC(OC)C2)c([N+](=O)[O-])c1 ZINC000352230499 410567319 /nfs/dbraw/zinc/56/73/19/410567319.db2.gz LBKNYCZJUHOOAB-UHFFFAOYSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C2CC(OC)C2)c([N+](=O)[O-])c1 ZINC000352230499 410567325 /nfs/dbraw/zinc/56/73/25/410567325.db2.gz LBKNYCZJUHOOAB-UHFFFAOYSA-N 1 1 323.349 1.651 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301304084 410697320 /nfs/dbraw/zinc/69/73/20/410697320.db2.gz SVEFHFGTTUBOCR-CQSZACIVSA-N 1 1 322.384 1.950 20 5 DDBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330565223 410781341 /nfs/dbraw/zinc/78/13/41/410781341.db2.gz ACZKFZRTZIDVSU-OLZOCXBDSA-N 1 1 320.393 1.582 20 5 DDBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@@H]1C ZINC000340267394 410808802 /nfs/dbraw/zinc/80/88/02/410808802.db2.gz HYFYOIFIFATVMS-NWDGAFQWSA-N 1 1 309.370 1.170 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1CO ZINC000343919956 410811340 /nfs/dbraw/zinc/81/13/40/410811340.db2.gz INAKFEYRYIZXMR-LBPRGKRZSA-N 1 1 321.333 1.350 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000330636886 410841493 /nfs/dbraw/zinc/84/14/93/410841493.db2.gz ANSTWDJEZUYFLX-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000330636886 410841499 /nfs/dbraw/zinc/84/14/99/410841499.db2.gz ANSTWDJEZUYFLX-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000330665858 410861981 /nfs/dbraw/zinc/86/19/81/410861981.db2.gz HJMAGSLFNVTKRL-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCCC[C@@H]1C ZINC000356149521 410863029 /nfs/dbraw/zinc/86/30/29/410863029.db2.gz HCCQAEIFKJKYQX-WDEREUQCSA-N 1 1 309.370 1.321 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000301878317 410820201 /nfs/dbraw/zinc/82/02/01/410820201.db2.gz UCQUJUMGMYWQBC-GXTWGEPZSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000301878317 410820205 /nfs/dbraw/zinc/82/02/05/410820205.db2.gz UCQUJUMGMYWQBC-GXTWGEPZSA-N 1 1 306.366 1.963 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341172770 410914062 /nfs/dbraw/zinc/91/40/62/410914062.db2.gz CKOAHZRXMCVRHE-CYBMUJFWSA-N 1 1 318.377 1.673 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348517815 410995380 /nfs/dbraw/zinc/99/53/80/410995380.db2.gz YCAPDEDQGWVHGM-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348517815 410995386 /nfs/dbraw/zinc/99/53/86/410995386.db2.gz YCAPDEDQGWVHGM-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000348517815 410995393 /nfs/dbraw/zinc/99/53/93/410995393.db2.gz YCAPDEDQGWVHGM-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399675 411009451 /nfs/dbraw/zinc/00/94/51/411009451.db2.gz YMXCIWFECXCOBX-NWDGAFQWSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399675 411009457 /nfs/dbraw/zinc/00/94/57/411009457.db2.gz YMXCIWFECXCOBX-NWDGAFQWSA-N 1 1 305.334 1.657 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)C1 ZINC000356289275 410946635 /nfs/dbraw/zinc/94/66/35/410946635.db2.gz VWOBSARGDXSIHQ-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000331294379 411061680 /nfs/dbraw/zinc/06/16/80/411061680.db2.gz XZKWBZGIPPBQTD-MFKMUULPSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000331294379 411061684 /nfs/dbraw/zinc/06/16/84/411061684.db2.gz XZKWBZGIPPBQTD-MFKMUULPSA-N 1 1 307.350 1.544 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000331206593 411017195 /nfs/dbraw/zinc/01/71/95/411017195.db2.gz UFRSQRNCLQDILH-SNVBAGLBSA-N 1 1 300.384 1.018 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000331206593 411017202 /nfs/dbraw/zinc/01/72/02/411017202.db2.gz UFRSQRNCLQDILH-SNVBAGLBSA-N 1 1 300.384 1.018 20 5 DDBDMO [NH3+]CCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000580714291 422949545 /nfs/dbraw/zinc/94/95/45/422949545.db2.gz PYQQUOBZHNMXBX-LLVKDONJSA-N 1 1 303.322 1.528 20 5 DDBDMO O=C(NC1CC[NH+](C2CCCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000132410437 196253443 /nfs/dbraw/zinc/25/34/43/196253443.db2.gz VTOYTNHMRUWBHO-UHFFFAOYSA-N 1 1 307.354 1.455 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134378125 196383776 /nfs/dbraw/zinc/38/37/76/196383776.db2.gz CXHAGFPUOXZULD-ZDUSSCGKSA-N 1 1 309.366 1.872 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C1 ZINC000360740316 418503989 /nfs/dbraw/zinc/50/39/89/418503989.db2.gz VZUDDLHQLRPBNV-QWRGUYRKSA-N 1 1 309.370 1.131 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)[C@H](C)C1 ZINC000360740314 418504237 /nfs/dbraw/zinc/50/42/37/418504237.db2.gz VZUDDLHQLRPBNV-MNOVXSKESA-N 1 1 309.370 1.131 20 5 DDBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188692596 222020799 /nfs/dbraw/zinc/02/07/99/222020799.db2.gz GYCASGNIAISKSD-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188692596 222020802 /nfs/dbraw/zinc/02/08/02/222020802.db2.gz GYCASGNIAISKSD-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000291312700 222305857 /nfs/dbraw/zinc/30/58/57/222305857.db2.gz TWUHCQHEWCQJPF-CHWSQXEVSA-N 1 1 312.366 1.691 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367839100 418644450 /nfs/dbraw/zinc/64/44/50/418644450.db2.gz KAYRMTWQFWPQFH-WDNDVIMCSA-N 1 1 319.361 1.402 20 5 DDBDMO CCCC[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342118675 418627247 /nfs/dbraw/zinc/62/72/47/418627247.db2.gz DYQRJQQNWOVJTH-UHFFFAOYSA-N 1 1 319.365 2.387 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000375668210 418671092 /nfs/dbraw/zinc/67/10/92/418671092.db2.gz DNOMXMNIDZOPBW-ZNMIVQPWSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375668210 418671095 /nfs/dbraw/zinc/67/10/95/418671095.db2.gz DNOMXMNIDZOPBW-ZNMIVQPWSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000375668210 418671097 /nfs/dbraw/zinc/67/10/97/418671097.db2.gz DNOMXMNIDZOPBW-ZNMIVQPWSA-N 1 1 303.362 1.290 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587116 418687337 /nfs/dbraw/zinc/68/73/37/418687337.db2.gz UWNFTDBMEYHTSN-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 ZINC000376740652 418701132 /nfs/dbraw/zinc/70/11/32/418701132.db2.gz XLQFSGADTRGKRL-JSGCOSHPSA-N 1 1 314.349 1.885 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364457670 418777299 /nfs/dbraw/zinc/77/72/99/418777299.db2.gz ORULYDCSLJEWTM-UONOGXRCSA-N 1 1 307.350 1.368 20 5 DDBDMO CCOc1cccc(N2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000364855880 418815583 /nfs/dbraw/zinc/81/55/83/418815583.db2.gz NNYVLRRRUDFRGD-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000364950387 418827438 /nfs/dbraw/zinc/82/74/38/418827438.db2.gz BYWCCIDOUXKKAL-QMMMGPOBSA-N 1 1 301.306 1.187 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372721320 418894990 /nfs/dbraw/zinc/89/49/90/418894990.db2.gz CVHRRJULWGBCJU-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000426213359 419404427 /nfs/dbraw/zinc/40/44/27/419404427.db2.gz CDVMVPOUUDWCSP-UMVBOHGHSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936457 419369033 /nfs/dbraw/zinc/36/90/33/419369033.db2.gz INMBHEOIVQFOFP-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936457 419369037 /nfs/dbraw/zinc/36/90/37/419369037.db2.gz INMBHEOIVQFOFP-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936974 419370719 /nfs/dbraw/zinc/37/07/19/419370719.db2.gz JFWLARRQKOJEGQ-CHWSQXEVSA-N 1 1 321.377 1.508 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000426265343 419428380 /nfs/dbraw/zinc/42/83/80/419428380.db2.gz UMAHFLHOLTWGIN-GFCCVEGCSA-N 1 1 310.350 1.829 20 5 DDBDMO O=C(CC[N@H+]1CC[C@]12CCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000421016430 419451065 /nfs/dbraw/zinc/45/10/65/419451065.db2.gz JDSXRFSFFZGQGX-OAHLLOKOSA-N 1 1 305.334 1.788 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412063465 419609268 /nfs/dbraw/zinc/60/92/68/419609268.db2.gz BBSACGKTVXDMOM-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412063465 419609276 /nfs/dbraw/zinc/60/92/76/419609276.db2.gz BBSACGKTVXDMOM-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421741289 419707806 /nfs/dbraw/zinc/70/78/06/419707806.db2.gz BNMWGTVNSROOMC-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000421771475 419721874 /nfs/dbraw/zinc/72/18/74/419721874.db2.gz WYWOSGIIOWRLGR-ZDUSSCGKSA-N 1 1 320.393 1.187 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432249305 229090095 /nfs/dbraw/zinc/09/00/95/229090095.db2.gz CUTUUKFJVVFKQQ-OLZOCXBDSA-N 1 1 321.377 1.833 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH3+])CC1 ZINC000430646199 420170187 /nfs/dbraw/zinc/17/01/87/420170187.db2.gz DPYNYUGPIISSMS-UHFFFAOYSA-N 1 1 322.365 1.355 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000446061666 230223709 /nfs/dbraw/zinc/22/37/09/230223709.db2.gz RCNGODKAIKJIBX-MQYQWHSLSA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000446061666 230223711 /nfs/dbraw/zinc/22/37/11/230223711.db2.gz RCNGODKAIKJIBX-MQYQWHSLSA-N 1 1 324.377 1.832 20 5 DDBDMO COc1cccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450789075 420532832 /nfs/dbraw/zinc/53/28/32/420532832.db2.gz IGHOOIOVHOHXKD-TXEJJXNPSA-N 1 1 307.350 1.879 20 5 DDBDMO CCOc1cccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450797330 420533419 /nfs/dbraw/zinc/53/34/19/420533419.db2.gz SDIHZRPFLLOIFG-BETUJISGSA-N 1 1 323.393 1.885 20 5 DDBDMO CN(CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000452976241 420693842 /nfs/dbraw/zinc/69/38/42/420693842.db2.gz OGWSLEFLCPMGJH-SWLSCSKDSA-N 1 1 318.377 1.194 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443063897 420742277 /nfs/dbraw/zinc/74/22/77/420742277.db2.gz XISDSYYZYVVQII-OLZOCXBDSA-N 1 1 320.393 1.983 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000488809134 421118838 /nfs/dbraw/zinc/11/88/38/421118838.db2.gz SXAZSOFZCYXMOS-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000450388648 421191455 /nfs/dbraw/zinc/19/14/55/421191455.db2.gz IKMBISLBKFSKEU-TZMCWYRMSA-N 1 1 321.381 1.240 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561582986 421331037 /nfs/dbraw/zinc/33/10/37/421331037.db2.gz GEAVLZGLVOEZEW-TXEJJXNPSA-N 1 1 321.377 1.697 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649900 421442818 /nfs/dbraw/zinc/44/28/18/421442818.db2.gz OCLZXUWIPLSZRH-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649900 421442821 /nfs/dbraw/zinc/44/28/21/421442821.db2.gz OCLZXUWIPLSZRH-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649900 421442824 /nfs/dbraw/zinc/44/28/24/421442824.db2.gz OCLZXUWIPLSZRH-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000574857982 422195506 /nfs/dbraw/zinc/19/55/06/422195506.db2.gz OSHACRCQLAQGLC-WDEREUQCSA-N 1 1 312.345 1.410 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@H](C)O ZINC000574857982 422195509 /nfs/dbraw/zinc/19/55/09/422195509.db2.gz OSHACRCQLAQGLC-WDEREUQCSA-N 1 1 312.345 1.410 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175979 422404518 /nfs/dbraw/zinc/40/45/18/422404518.db2.gz MBHXNIJWPBNIQC-GFCCVEGCSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000179708886 263362395 /nfs/dbraw/zinc/36/23/95/263362395.db2.gz VIRMIBFDGMGARC-HNNXBMFYSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000179708886 263362398 /nfs/dbraw/zinc/36/23/98/263362398.db2.gz VIRMIBFDGMGARC-HNNXBMFYSA-N 1 1 308.334 1.808 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183990957 263384014 /nfs/dbraw/zinc/38/40/14/263384014.db2.gz DSQJEIAZKIRRDH-UHFFFAOYSA-N 1 1 320.349 1.120 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000153718158 274272387 /nfs/dbraw/zinc/27/23/87/274272387.db2.gz BOFAGCIDDGIGHX-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000153718158 274272389 /nfs/dbraw/zinc/27/23/89/274272389.db2.gz BOFAGCIDDGIGHX-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCOC(C)C)CC2)n1 ZINC000178243619 274762479 /nfs/dbraw/zinc/76/24/79/274762479.db2.gz XRHDBLMWPVPMLE-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269468880 276370642 /nfs/dbraw/zinc/37/06/42/276370642.db2.gz ILVNMBIWUOUDBK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269468880 276370643 /nfs/dbraw/zinc/37/06/43/276370643.db2.gz ILVNMBIWUOUDBK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269468880 276370644 /nfs/dbraw/zinc/37/06/44/276370644.db2.gz ILVNMBIWUOUDBK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1 ZINC000363094694 300209727 /nfs/dbraw/zinc/20/97/27/300209727.db2.gz HJUNASPVYGGADS-KGLIPLIRSA-N 1 1 320.349 1.580 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363220106 300234115 /nfs/dbraw/zinc/23/41/15/300234115.db2.gz BTFLMVIIVYMCHZ-MRXNPFEDSA-N 1 1 304.394 1.811 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000363220105 300234282 /nfs/dbraw/zinc/23/42/82/300234282.db2.gz BTFLMVIIVYMCHZ-INIZCTEOSA-N 1 1 304.394 1.811 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363304923 300248108 /nfs/dbraw/zinc/24/81/08/300248108.db2.gz MBOLJWVVDLJXAC-QLFBSQMISA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363304923 300248111 /nfs/dbraw/zinc/24/81/11/300248111.db2.gz MBOLJWVVDLJXAC-QLFBSQMISA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363304923 300248112 /nfs/dbraw/zinc/24/81/12/300248112.db2.gz MBOLJWVVDLJXAC-QLFBSQMISA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364395947 300389626 /nfs/dbraw/zinc/38/96/26/300389626.db2.gz CEVOVUOLUANJJF-IACUBPJLSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364395947 300389627 /nfs/dbraw/zinc/38/96/27/300389627.db2.gz CEVOVUOLUANJJF-IACUBPJLSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364395947 300389629 /nfs/dbraw/zinc/38/96/29/300389629.db2.gz CEVOVUOLUANJJF-IACUBPJLSA-N 1 1 323.418 1.742 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000368872554 301098402 /nfs/dbraw/zinc/09/84/02/301098402.db2.gz LPEXJAQJYIUBQA-ZDUSSCGKSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000368872554 301098404 /nfs/dbraw/zinc/09/84/04/301098404.db2.gz LPEXJAQJYIUBQA-ZDUSSCGKSA-N 1 1 303.322 1.642 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952732 301109250 /nfs/dbraw/zinc/10/92/50/301109250.db2.gz XEMHFXPZGJHAJE-DFBGVHRSSA-N 1 1 319.361 1.559 20 5 DDBDMO CCc1nc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370029638 301261553 /nfs/dbraw/zinc/26/15/53/301261553.db2.gz SZGUAIKBYDWTAG-LLVKDONJSA-N 1 1 320.353 1.616 20 5 DDBDMO CCc1nc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370029638 301261557 /nfs/dbraw/zinc/26/15/57/301261557.db2.gz SZGUAIKBYDWTAG-LLVKDONJSA-N 1 1 320.353 1.616 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000370217832 301296427 /nfs/dbraw/zinc/29/64/27/301296427.db2.gz BQENGVXURUUPII-JYJNAYRXSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000370217832 301296428 /nfs/dbraw/zinc/29/64/28/301296428.db2.gz BQENGVXURUUPII-JYJNAYRXSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000370217832 301296431 /nfs/dbraw/zinc/29/64/31/301296431.db2.gz BQENGVXURUUPII-JYJNAYRXSA-N 1 1 317.389 1.475 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCOC[C@H]4C3)ccc2c1 ZINC000375849085 302003970 /nfs/dbraw/zinc/00/39/70/302003970.db2.gz PCJDFWMIXQZISL-CQSZACIVSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCOC[C@H]4C3)ccc2c1 ZINC000375849085 302003971 /nfs/dbraw/zinc/00/39/71/302003971.db2.gz PCJDFWMIXQZISL-CQSZACIVSA-N 1 1 314.345 1.664 20 5 DDBDMO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)S(C)(=O)=O ZINC000541555370 303423156 /nfs/dbraw/zinc/42/31/56/303423156.db2.gz AWQGYUHTNHISHP-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000366652338 307078793 /nfs/dbraw/zinc/07/87/93/307078793.db2.gz KMPDFEYWEMVKTL-JSGCOSHPSA-N 1 1 317.349 1.626 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369067638 307115255 /nfs/dbraw/zinc/11/52/55/307115255.db2.gz UUZQFMZUIJHRRV-GFCCVEGCSA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1[nH+]c(CNC(=O)c2ccc([N+](=O)[O-])o2)c2n1CCCC2 ZINC000378377003 307287179 /nfs/dbraw/zinc/28/71/79/307287179.db2.gz KULIKFRKNVBJPK-UHFFFAOYSA-N 1 1 304.306 1.959 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[N@@H+]3CCOC[C@@H]3C1)CCCC2 ZINC000572116229 308211860 /nfs/dbraw/zinc/21/18/60/308211860.db2.gz PJKPUYGVWIPGIN-ZDUSSCGKSA-N 1 1 318.377 1.389 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[N@H+]3CCOC[C@@H]3C1)CCCC2 ZINC000572116229 308211862 /nfs/dbraw/zinc/21/18/62/308211862.db2.gz PJKPUYGVWIPGIN-ZDUSSCGKSA-N 1 1 318.377 1.389 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000577208709 308370839 /nfs/dbraw/zinc/37/08/39/308370839.db2.gz PVPDGVUXAAXPLY-ZDUSSCGKSA-N 1 1 318.377 1.195 20 5 DDBDMO NC(=O)c1ccc(CN2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000387016899 325763447 /nfs/dbraw/zinc/76/34/47/325763447.db2.gz CIWYCUFKZXCHPC-UHFFFAOYSA-N 1 1 306.366 1.255 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000582310094 326010283 /nfs/dbraw/zinc/01/02/83/326010283.db2.gz YVIDHKRLYZSGTD-GFCCVEGCSA-N 1 1 307.350 1.656 20 5 DDBDMO Cn1cc[nH+]c1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001120786290 782140906 /nfs/dbraw/zinc/14/09/06/782140906.db2.gz GJZZJBNAFQCFDV-UHFFFAOYSA-N 1 1 318.259 1.735 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364881381 501083129 /nfs/dbraw/zinc/08/31/29/501083129.db2.gz ITZZAKIHOUBVNR-LLVKDONJSA-N 1 1 308.294 1.024 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364881381 501083132 /nfs/dbraw/zinc/08/31/32/501083132.db2.gz ITZZAKIHOUBVNR-LLVKDONJSA-N 1 1 308.294 1.024 20 5 DDBDMO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295633394 533806111 /nfs/dbraw/zinc/80/61/11/533806111.db2.gz ZMECBTLPZHFAFP-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO COc1cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451658203 533827241 /nfs/dbraw/zinc/82/72/41/533827241.db2.gz CIEDABJCBSXXHR-BETUJISGSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000334041730 536521908 /nfs/dbraw/zinc/52/19/08/536521908.db2.gz AGAMPOAMTMBBCM-PWSUYJOCSA-N 1 1 307.350 1.816 20 5 DDBDMO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000422797484 528145235 /nfs/dbraw/zinc/14/52/35/528145235.db2.gz MVSSYNDIUSVOJJ-GFCCVEGCSA-N 1 1 317.349 1.871 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262259 529343799 /nfs/dbraw/zinc/34/37/99/529343799.db2.gz XDLNEBYOZMHOHR-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262259 529343802 /nfs/dbraw/zinc/34/38/02/529343802.db2.gz XDLNEBYOZMHOHR-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078231716 696448593 /nfs/dbraw/zinc/44/85/93/696448593.db2.gz OTXCSKKCCUKYJX-NSHDSACASA-N 1 1 322.321 1.717 20 5 DDBDMO CCOCC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273789 698090230 /nfs/dbraw/zinc/09/02/30/698090230.db2.gz AAUASWYTTXHUOX-INIZCTEOSA-N 1 1 323.393 1.282 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262534277 698473622 /nfs/dbraw/zinc/47/36/22/698473622.db2.gz QAUGDRVPDOWLRX-KBPBESRZSA-N 1 1 304.394 1.635 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@H+]2CCCOCC2)nc2ccccn21 ZINC000782418936 698723446 /nfs/dbraw/zinc/72/34/46/698723446.db2.gz YWFFDQNXDPVNEZ-UHFFFAOYSA-N 1 1 305.338 1.377 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000750877834 700253419 /nfs/dbraw/zinc/25/34/19/700253419.db2.gz UMIOZLIHLKPOFQ-UHFFFAOYSA-N 1 1 309.322 1.177 20 5 DDBDMO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786878706 699176554 /nfs/dbraw/zinc/17/65/54/699176554.db2.gz GIDXRNKAIZAUMU-CQSZACIVSA-N 1 1 322.365 1.742 20 5 DDBDMO C[N@H+](CC1CCOCC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794638324 699820559 /nfs/dbraw/zinc/82/05/59/699820559.db2.gz CGIUMXWIZQCDMN-UHFFFAOYSA-N 1 1 321.333 1.819 20 5 DDBDMO C[N@@H+](CC1CCOCC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794638324 699820561 /nfs/dbraw/zinc/82/05/61/699820561.db2.gz CGIUMXWIZQCDMN-UHFFFAOYSA-N 1 1 321.333 1.819 20 5 DDBDMO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742197912 699866454 /nfs/dbraw/zinc/86/64/54/699866454.db2.gz WKXWVRDCCOJQCZ-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000742197912 699866457 /nfs/dbraw/zinc/86/64/57/699866457.db2.gz WKXWVRDCCOJQCZ-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000801891055 700351131 /nfs/dbraw/zinc/35/11/31/700351131.db2.gz GNAYFLQWFZVQBI-SNVBAGLBSA-N 1 1 322.340 1.625 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3OCCCO3)C2)nc1 ZINC000754652246 700516992 /nfs/dbraw/zinc/51/69/92/700516992.db2.gz MDEWSJXAQGUMLF-GFCCVEGCSA-N 1 1 322.365 1.629 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761056546 700837159 /nfs/dbraw/zinc/83/71/59/700837159.db2.gz YADKAXYKHMQBIA-SCZZXKLOSA-N 1 1 308.260 1.036 20 5 DDBDMO Cn1ncc2c1CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000839625963 701757296 /nfs/dbraw/zinc/75/72/96/701757296.db2.gz YVRNGRUXMDZMLS-INIZCTEOSA-N 1 1 316.361 1.810 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699250 701788598 /nfs/dbraw/zinc/78/85/98/701788598.db2.gz UURHDVPYWKHEFK-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699250 701788602 /nfs/dbraw/zinc/78/86/02/701788602.db2.gz UURHDVPYWKHEFK-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699250 701788606 /nfs/dbraw/zinc/78/86/06/701788606.db2.gz UURHDVPYWKHEFK-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000810620469 701803560 /nfs/dbraw/zinc/80/35/60/701803560.db2.gz HNWOIJJSDCGBQL-VIFPVBQESA-N 1 1 304.306 1.927 20 5 DDBDMO C[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000867949634 701848835 /nfs/dbraw/zinc/84/88/35/701848835.db2.gz FGTPOUYGZBHEJE-XHDPSFHLSA-N 1 1 307.350 1.406 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000879261385 706633280 /nfs/dbraw/zinc/63/32/80/706633280.db2.gz JMGVNWZFIXPNRL-KKUMJFAQSA-N 1 1 310.350 1.100 20 5 DDBDMO COc1c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000812337391 702161557 /nfs/dbraw/zinc/16/15/57/702161557.db2.gz DPMNFUGEKDZTGA-NWDGAFQWSA-N 1 1 319.361 1.627 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868967390 702409753 /nfs/dbraw/zinc/40/97/53/702409753.db2.gz LRVQDPWXZAUKBS-GXTWGEPZSA-N 1 1 321.352 1.829 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679645 702448975 /nfs/dbraw/zinc/44/89/75/702448975.db2.gz VENUOKWZJGOQBL-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO [NH3+]CCCCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000842920945 702791271 /nfs/dbraw/zinc/79/12/71/702791271.db2.gz UDKSEJQVQGXOMC-UHFFFAOYSA-N 1 1 319.358 1.531 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000844022465 702957454 /nfs/dbraw/zinc/95/74/54/702957454.db2.gz FFQBMXVYIQEPAN-BETUJISGSA-N 1 1 315.414 1.390 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879574461 706723462 /nfs/dbraw/zinc/72/34/62/706723462.db2.gz AAQVEZOWIHEPMO-ZIAGYGMSSA-N 1 1 318.377 1.220 20 5 DDBDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000848520489 703560474 /nfs/dbraw/zinc/56/04/74/703560474.db2.gz QOUIKTOMIJYDPN-CABZTGNLSA-N 1 1 318.333 1.638 20 5 DDBDMO Cc1nc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000850138398 703706957 /nfs/dbraw/zinc/70/69/57/703706957.db2.gz DYGMDVGIYUHZKM-UKRRQHHQSA-N 1 1 320.349 1.119 20 5 DDBDMO CC1(C)OC[C@H](CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851908568 703881724 /nfs/dbraw/zinc/88/17/24/703881724.db2.gz OTZHDCJVSTYLRS-ZDUSSCGKSA-N 1 1 307.350 1.890 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852316927 704009958 /nfs/dbraw/zinc/00/99/58/704009958.db2.gz ISGARTCVTFGWAE-LLVKDONJSA-N 1 1 305.313 1.848 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437435 704048568 /nfs/dbraw/zinc/04/85/68/704048568.db2.gz YCCMXDFGUWEPCD-KGLIPLIRSA-N 1 1 321.333 1.155 20 5 DDBDMO CCc1nnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819321437 704106908 /nfs/dbraw/zinc/10/69/08/704106908.db2.gz HNOSRXBLOQJFRM-LLVKDONJSA-N 1 1 308.363 1.832 20 5 DDBDMO CN(CC(F)(F)F)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870865425 704149621 /nfs/dbraw/zinc/14/96/21/704149621.db2.gz STLLLRBDWNVNPV-LLVKDONJSA-N 1 1 305.256 1.789 20 5 DDBDMO COCC[NH+]1CCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853109893 704198646 /nfs/dbraw/zinc/19/86/46/704198646.db2.gz ITFNKCYXSPXXGS-UHFFFAOYSA-N 1 1 309.366 1.680 20 5 DDBDMO COc1cc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])cc1C ZINC000853244192 704223699 /nfs/dbraw/zinc/22/36/99/704223699.db2.gz GMKWWFIYGPQRCM-UHFFFAOYSA-N 1 1 309.366 1.416 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874845029 705199662 /nfs/dbraw/zinc/19/96/62/705199662.db2.gz FFHMFTMKXKPHGU-UONOGXRCSA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874848147 705201256 /nfs/dbraw/zinc/20/12/56/705201256.db2.gz RUWYMZWEGNRLQP-KBPBESRZSA-N 1 1 304.350 1.607 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794750 705800406 /nfs/dbraw/zinc/80/04/06/705800406.db2.gz HARPOQYTXYZJGK-WFASDCNBSA-N 1 1 321.377 1.476 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000878883501 706524431 /nfs/dbraw/zinc/52/44/31/706524431.db2.gz XNBMFQLNELDJFL-RYUDHWBXSA-N 1 1 300.742 1.566 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510073 706527874 /nfs/dbraw/zinc/52/78/74/706527874.db2.gz QSOZCALVQHWYFH-UONOGXRCSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510073 706527876 /nfs/dbraw/zinc/52/78/76/706527876.db2.gz QSOZCALVQHWYFH-UONOGXRCSA-N 1 1 323.349 1.401 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781606 707597963 /nfs/dbraw/zinc/59/79/63/707597963.db2.gz VZKYNHHMICEPEL-QWHCGFSZSA-N 1 1 318.377 1.627 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000882487854 707659569 /nfs/dbraw/zinc/65/95/69/707659569.db2.gz KCAMDNMJUWQMDR-GFCCVEGCSA-N 1 1 306.366 1.241 20 5 DDBDMO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000873296978 707802281 /nfs/dbraw/zinc/80/22/81/707802281.db2.gz ORDBLJNXCCSDEL-OSMZGAPFSA-N 1 1 307.350 1.539 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000873360993 707824366 /nfs/dbraw/zinc/82/43/66/707824366.db2.gz QOXJUIKWSRMXKM-GRYCIOLGSA-N 1 1 324.381 1.904 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000884823707 708387543 /nfs/dbraw/zinc/38/75/43/708387543.db2.gz ALWIHKMNHGYNIE-UHFFFAOYSA-N 1 1 318.171 1.693 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912605532 713045403 /nfs/dbraw/zinc/04/54/03/713045403.db2.gz YTUDVBNAGZEWGA-OUKQBFOZSA-N 1 1 321.377 1.381 20 5 DDBDMO COCC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])C(C)(C)C1 ZINC000886268803 708733462 /nfs/dbraw/zinc/73/34/62/708733462.db2.gz BOAIAYGFRCWNAB-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000886481906 708767710 /nfs/dbraw/zinc/76/77/10/708767710.db2.gz MECKWCDKLQTNBN-ZIAGYGMSSA-N 1 1 308.334 1.727 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886813630 708851108 /nfs/dbraw/zinc/85/11/08/708851108.db2.gz QREWFXOKTHSEIB-LLVKDONJSA-N 1 1 322.287 1.346 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887939124 709173496 /nfs/dbraw/zinc/17/34/96/709173496.db2.gz PLBDPBKPWHZOGW-WBMJQRKESA-N 1 1 319.361 1.384 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000910280394 709862695 /nfs/dbraw/zinc/86/26/95/709862695.db2.gz QYAJVGDLARNIFZ-JTQLQIEISA-N 1 1 324.356 1.872 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910285165 709866092 /nfs/dbraw/zinc/86/60/92/709866092.db2.gz RAXXGUCSOSSIEO-GFCCVEGCSA-N 1 1 323.397 1.469 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000891395155 710183662 /nfs/dbraw/zinc/18/36/62/710183662.db2.gz MVKXVLDBOLRQQA-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO Cn1c2ccccc2c(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1=O ZINC000892319590 710416131 /nfs/dbraw/zinc/41/61/31/710416131.db2.gz MNCIJCGEFCJRDV-LLVKDONJSA-N 1 1 316.361 1.810 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000928450127 713202074 /nfs/dbraw/zinc/20/20/74/713202074.db2.gz SHNDEZSYVZZIEP-SKDRFNHKSA-N 1 1 321.333 1.188 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637828 710832639 /nfs/dbraw/zinc/83/26/39/710832639.db2.gz JTIILFKOGSSESI-KBPBESRZSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637828 710832644 /nfs/dbraw/zinc/83/26/44/710832644.db2.gz JTIILFKOGSSESI-KBPBESRZSA-N 1 1 317.349 1.920 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941488 710893780 /nfs/dbraw/zinc/89/37/80/710893780.db2.gz SDWBHYGDQJPRLP-BXUZGUMPSA-N 1 1 304.350 1.095 20 5 DDBDMO COc1cc([C@@H](C)[NH2+]CCS(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC000903084056 711026881 /nfs/dbraw/zinc/02/68/81/711026881.db2.gz ULDBKLCFNFOQFH-SECBINFHSA-N 1 1 302.352 1.299 20 5 DDBDMO COc1cc([C@@H](C)[NH2+]CC(=O)NCC2CC2)cc([N+](=O)[O-])c1 ZINC000903146572 711047609 /nfs/dbraw/zinc/04/76/09/711047609.db2.gz HOYXSOFMWKUPGZ-SNVBAGLBSA-N 1 1 307.350 1.780 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928556098 713225210 /nfs/dbraw/zinc/22/52/10/713225210.db2.gz RKJGLWUKTORJES-ZDUSSCGKSA-N 1 1 305.334 1.378 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000928556098 713225211 /nfs/dbraw/zinc/22/52/11/713225211.db2.gz RKJGLWUKTORJES-ZDUSSCGKSA-N 1 1 305.334 1.378 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000895021674 711372695 /nfs/dbraw/zinc/37/26/95/711372695.db2.gz HUOXPPDSBAEUGC-ONGXEEELSA-N 1 1 303.322 1.661 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3C[C@@H]4COC[C@@H]4O3)c2c1 ZINC000896087879 711674507 /nfs/dbraw/zinc/67/45/07/711674507.db2.gz IIRKASJHXJEHCM-XAGWURHQSA-N 1 1 315.329 1.781 20 5 DDBDMO O=C1C[C@H](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1 ZINC000896134123 711680390 /nfs/dbraw/zinc/68/03/90/711680390.db2.gz IRGNTPQUMUOMSZ-JTQLQIEISA-N 1 1 300.318 1.503 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCO[C@H]3CCOC3)c2c1 ZINC000896472532 711730454 /nfs/dbraw/zinc/73/04/54/711730454.db2.gz BBLBMPBEIFFBCQ-LBPRGKRZSA-N 1 1 303.318 1.782 20 5 DDBDMO Nc1c(F)c(NC[C@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896521168 711737506 /nfs/dbraw/zinc/73/75/06/711737506.db2.gz HKUQGGUCPYRLGD-LLVKDONJSA-N 1 1 324.356 1.981 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000896524901 711738261 /nfs/dbraw/zinc/73/82/61/711738261.db2.gz XPDYWZYCPMKSCQ-CYBMUJFWSA-N 1 1 306.366 1.842 20 5 DDBDMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930471140 713843403 /nfs/dbraw/zinc/84/34/03/713843403.db2.gz VBELWUKJZFWQQP-UONOGXRCSA-N 1 1 313.398 1.986 20 5 DDBDMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000930471140 713843407 /nfs/dbraw/zinc/84/34/07/713843407.db2.gz VBELWUKJZFWQQP-UONOGXRCSA-N 1 1 313.398 1.986 20 5 DDBDMO COC(OC)[C@@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922312165 714018102 /nfs/dbraw/zinc/01/81/02/714018102.db2.gz TYJGNWIENZDGCW-SECBINFHSA-N 1 1 312.322 1.463 20 5 DDBDMO COC1(OC)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000931641300 714147422 /nfs/dbraw/zinc/14/74/22/714147422.db2.gz XQAVKUUQJPCFJT-AWEZNQCLSA-N 1 1 310.350 1.193 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000933036815 714505995 /nfs/dbraw/zinc/50/59/95/714505995.db2.gz UMSDIAMBKZRUKN-CYBMUJFWSA-N 1 1 323.324 1.119 20 5 DDBDMO CC(C)(CCc1noc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1)[N+](=O)[O-] ZINC000924079305 714521678 /nfs/dbraw/zinc/52/16/78/714521678.db2.gz UPRLWAYAHFVBOW-GHMZBOCLSA-N 1 1 310.354 1.593 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000413474585 719482543 /nfs/dbraw/zinc/48/25/43/719482543.db2.gz XDWXIXXHPVIZHH-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO O=[N+]([O-])c1ccc2ncc(N3CCc4[nH+]ccn4CC3)nc2c1 ZINC001167177913 732805746 /nfs/dbraw/zinc/80/57/46/732805746.db2.gz AWXSUWUDMOCVBG-UHFFFAOYSA-N 1 1 310.317 1.797 20 5 DDBDMO CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087462 782351264 /nfs/dbraw/zinc/35/12/64/782351264.db2.gz JPMFWXUMEVFQQK-QAALLOGESA-N 1 1 309.410 1.859 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022061908 734367938 /nfs/dbraw/zinc/36/79/38/734367938.db2.gz ZIVPQDLASROERU-LXTVHRRPSA-N 1 1 303.362 1.397 20 5 DDBDMO CC(C)(F)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025648537 736808503 /nfs/dbraw/zinc/80/85/03/736808503.db2.gz PETORJWQEWAYSG-WDNDVIMCSA-N 1 1 321.352 1.889 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778557 736850390 /nfs/dbraw/zinc/85/03/90/736850390.db2.gz UUWUYTSLQKCYLA-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778557 736850394 /nfs/dbraw/zinc/85/03/94/736850394.db2.gz UUWUYTSLQKCYLA-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778557 736850396 /nfs/dbraw/zinc/85/03/96/736850396.db2.gz UUWUYTSLQKCYLA-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC001117752468 748996315 /nfs/dbraw/zinc/99/63/15/748996315.db2.gz GYPLEYUNRXAUKA-JTQLQIEISA-N 1 1 324.356 1.576 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC001117752468 748996321 /nfs/dbraw/zinc/99/63/21/748996321.db2.gz GYPLEYUNRXAUKA-JTQLQIEISA-N 1 1 324.356 1.576 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030132 762186302 /nfs/dbraw/zinc/18/63/02/762186302.db2.gz WUHQBOWUUZHXRJ-ZVDSWSACSA-N 1 1 310.394 1.558 20 5 DDBDMO CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038629 762193637 /nfs/dbraw/zinc/19/36/37/762193637.db2.gz JMBWXFDHYSRBNK-GXTWGEPZSA-N 1 1 313.398 1.985 20 5 DDBDMO COc1nc(C)nc(N[C@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)c1[N+](=O)[O-] ZINC001170965545 771970687 /nfs/dbraw/zinc/97/06/87/771970687.db2.gz UAEYCIJAOCILRP-GDPRMGEGSA-N 1 1 307.354 1.596 20 5 DDBDMO Cc1ncc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001178464668 779060902 /nfs/dbraw/zinc/06/09/02/779060902.db2.gz WRCLBKPCZPHWAN-ZIAGYGMSSA-N 1 1 324.381 1.414 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001266683246 836661957 /nfs/dbraw/zinc/66/19/57/836661957.db2.gz KVBPRHNIDSAKQA-XJFOESAGSA-N 1 1 323.418 1.583 20 5 DDBDMO COc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001273359786 849665772 /nfs/dbraw/zinc/66/57/72/849665772.db2.gz UOHBEDOTMTXWME-RNCFNFMXSA-N 1 1 323.324 1.519 20 5 DDBDMO CC[C@H]1[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021516 850518564 /nfs/dbraw/zinc/51/85/64/850518564.db2.gz LGKQCJPNRMFIDS-NHIYQJMISA-N 1 1 309.410 1.955 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)o1 ZINC001328432603 862971388 /nfs/dbraw/zinc/97/13/88/862971388.db2.gz GJVJCQFVVYYWLG-UHFFFAOYSA-N 1 1 315.293 1.287 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001121918264 858632905 /nfs/dbraw/zinc/63/29/05/858632905.db2.gz DEHUSFDCVPKUFH-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123879898 859452244 /nfs/dbraw/zinc/45/22/44/859452244.db2.gz JVSVCNQCEQGZSZ-SMDDNHRTSA-N 1 1 318.377 1.538 20 5 DDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975896 859506797 /nfs/dbraw/zinc/50/67/97/859506797.db2.gz GUSQVLAMRAVGBN-LALPHHSUSA-N 1 1 318.377 1.160 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCC[NH+]2CCSCC2)c1 ZINC001157046036 863536413 /nfs/dbraw/zinc/53/64/13/863536413.db2.gz YOUPMULWFUZIBV-UHFFFAOYSA-N 1 1 318.786 1.342 20 5 DDBDMO Cc1nsc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767163 864118082 /nfs/dbraw/zinc/11/80/82/864118082.db2.gz IOAOALBFUOFYJZ-ZYHUDNBSSA-N 1 1 312.395 1.021 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001331523163 865134285 /nfs/dbraw/zinc/13/42/85/865134285.db2.gz MOJBIROOFZQOES-BXUZGUMPSA-N 1 1 317.349 1.656 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001331523163 865134291 /nfs/dbraw/zinc/13/42/91/865134291.db2.gz MOJBIROOFZQOES-BXUZGUMPSA-N 1 1 317.349 1.656 20 5 DDBDMO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001320682646 866939868 /nfs/dbraw/zinc/93/98/68/866939868.db2.gz JTVJFLFUBSCOMT-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001333928907 867164611 /nfs/dbraw/zinc/16/46/11/867164611.db2.gz CHOLDMWUMQRXEE-SRVKXCTJSA-N 1 1 321.381 1.429 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CC[NH2+]CCF)CCc1ccccc1 ZINC001162810568 867844360 /nfs/dbraw/zinc/84/43/60/867844360.db2.gz MCMXYTLYYUDBAU-HUUCEWRRSA-N 1 1 323.368 1.282 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001297536503 870091565 /nfs/dbraw/zinc/09/15/65/870091565.db2.gz XAGTXVGCENMSHL-NSHDSACASA-N 1 1 307.354 1.176 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC001345740911 873494771 /nfs/dbraw/zinc/49/47/71/873494771.db2.gz BPPPLAPYGMYEAJ-PHIMTYICSA-N 1 1 309.370 1.239 20 5 DDBDMO C[C@@H](CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001353298240 877237979 /nfs/dbraw/zinc/23/79/79/877237979.db2.gz RVQGSUCOYOXWPT-GXTWGEPZSA-N 1 1 311.382 1.264 20 5 DDBDMO C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584227 879113586 /nfs/dbraw/zinc/11/35/86/879113586.db2.gz NDXCLLYAJIYGRM-ZIAGYGMSSA-N 1 1 323.393 1.266 20 5 DDBDMO CN1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584227 879113594 /nfs/dbraw/zinc/11/35/94/879113594.db2.gz NDXCLLYAJIYGRM-ZIAGYGMSSA-N 1 1 323.393 1.266 20 5 DDBDMO C[C@H](OCC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001222543322 880548956 /nfs/dbraw/zinc/54/89/56/880548956.db2.gz NSHZRUDZKYSOQL-LBPRGKRZSA-N 1 1 307.350 1.446 20 5 DDBDMO CC(C)OCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235109548 888416274 /nfs/dbraw/zinc/41/62/74/888416274.db2.gz MYZZJQXZXYRVKY-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@](F)(CO)C3)CC2)cc1 ZINC001254476366 896455558 /nfs/dbraw/zinc/45/55/58/896455558.db2.gz ONZYRJKUTMTQTC-INIZCTEOSA-N 1 1 323.368 1.970 20 5 DDBDMO CN1CCN(CCC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568891 896505790 /nfs/dbraw/zinc/50/57/90/896505790.db2.gz VURKIACBAZLFKK-MRXNPFEDSA-N 1 1 318.421 1.289 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC001263980099 900853253 /nfs/dbraw/zinc/85/32/53/900853253.db2.gz NEVFFFPZJIZKOD-MRCXROJRSA-N 1 1 307.325 1.804 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000081903542 192336706 /nfs/dbraw/zinc/33/67/06/192336706.db2.gz JDQFTDYKENYNOE-SECBINFHSA-N 1 1 302.352 1.126 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000248900371 282116632 /nfs/dbraw/zinc/11/66/32/282116632.db2.gz HFPRSXBPTVQTSU-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000452388732 231373569 /nfs/dbraw/zinc/37/35/69/231373569.db2.gz KGEVGXGFFMILCK-CQSZACIVSA-N 1 1 307.350 1.171 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209183 529574620 /nfs/dbraw/zinc/57/46/20/529574620.db2.gz APFPIHFKAFOCKW-IUODEOHRSA-N 1 1 310.350 1.181 20 5 DDBDMO O=C(C[N@@H+]1CCCSCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000089985028 185274307 /nfs/dbraw/zinc/27/43/07/185274307.db2.gz PIKGLFFGXOWONT-UHFFFAOYSA-N 1 1 321.402 1.923 20 5 DDBDMO O=C(C[N@H+]1CCCSCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000089985028 185274308 /nfs/dbraw/zinc/27/43/08/185274308.db2.gz PIKGLFFGXOWONT-UHFFFAOYSA-N 1 1 321.402 1.923 20 5 DDBDMO CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614920062 362077050 /nfs/dbraw/zinc/07/70/50/362077050.db2.gz CNCQGZJHTRIZGD-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920062 362077058 /nfs/dbraw/zinc/07/70/58/362077058.db2.gz CNCQGZJHTRIZGD-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920062 362077063 /nfs/dbraw/zinc/07/70/63/362077063.db2.gz CNCQGZJHTRIZGD-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614923393 362079812 /nfs/dbraw/zinc/07/98/12/362079812.db2.gz JGQZUPRZGDTLLZ-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO C[N@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589427 185305622 /nfs/dbraw/zinc/30/56/22/185305622.db2.gz SOEINVKLCLMGKD-UHFFFAOYSA-N 1 1 308.363 1.388 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286619399 219086777 /nfs/dbraw/zinc/08/67/77/219086777.db2.gz SAXOMYHUZFNKBH-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000330783997 232065945 /nfs/dbraw/zinc/06/59/45/232065945.db2.gz RGGXFNOXTSORRT-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000330783997 232065947 /nfs/dbraw/zinc/06/59/47/232065947.db2.gz RGGXFNOXTSORRT-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000616200569 362584043 /nfs/dbraw/zinc/58/40/43/362584043.db2.gz JANWMVWOLJUKHG-CYBMUJFWSA-N 1 1 306.366 1.797 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279703198 215074509 /nfs/dbraw/zinc/07/45/09/215074509.db2.gz JHOHREBVFUXREU-CQSZACIVSA-N 1 1 323.393 1.626 20 5 DDBDMO Cc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358453093 299157049 /nfs/dbraw/zinc/15/70/49/299157049.db2.gz IDXRTJAKTNIADS-CQSZACIVSA-N 1 1 308.338 1.091 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000064312137 352932739 /nfs/dbraw/zinc/93/27/39/352932739.db2.gz VKEZKUZPFPNOCX-OLZOCXBDSA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000066924561 353025988 /nfs/dbraw/zinc/02/59/88/353025988.db2.gz NDEIPYGBIWPYKC-UHFFFAOYSA-N 1 1 322.321 1.635 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332012027 234385630 /nfs/dbraw/zinc/38/56/30/234385630.db2.gz SGHRPCRYVRAJPQ-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000080441109 353608438 /nfs/dbraw/zinc/60/84/38/353608438.db2.gz VFZYMSKBJSTRFK-KBPBESRZSA-N 1 1 307.350 1.687 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000081363240 353666851 /nfs/dbraw/zinc/66/68/51/353666851.db2.gz RASBCSCPTOVDFO-LLVKDONJSA-N 1 1 309.370 1.430 20 5 DDBDMO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000081363240 353666854 /nfs/dbraw/zinc/66/68/54/353666854.db2.gz RASBCSCPTOVDFO-LLVKDONJSA-N 1 1 309.370 1.430 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000081363240 353666857 /nfs/dbraw/zinc/66/68/57/353666857.db2.gz RASBCSCPTOVDFO-LLVKDONJSA-N 1 1 309.370 1.430 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089265855 353763591 /nfs/dbraw/zinc/76/35/91/353763591.db2.gz YSTWVCRNPNFFMB-GFCCVEGCSA-N 1 1 307.350 1.668 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])cnc2C)[nH+]1 ZINC000346210396 283029138 /nfs/dbraw/zinc/02/91/38/283029138.db2.gz BAJMJGTWNDRGET-UHFFFAOYSA-N 1 1 315.333 1.844 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000588067846 354899485 /nfs/dbraw/zinc/89/94/85/354899485.db2.gz UXCGLLTYVDQNMP-VIFPVBQESA-N 1 1 317.305 1.400 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000589501233 354996964 /nfs/dbraw/zinc/99/69/64/354996964.db2.gz GMMBCECPNNLSRF-WFASDCNBSA-N 1 1 322.361 1.974 20 5 DDBDMO CN1C[C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011978 355040191 /nfs/dbraw/zinc/04/01/91/355040191.db2.gz NSJXUWKXIVKKHC-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@@H+]1C[C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011978 355040193 /nfs/dbraw/zinc/04/01/93/355040193.db2.gz NSJXUWKXIVKKHC-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011978 355040194 /nfs/dbraw/zinc/04/01/94/355040194.db2.gz NSJXUWKXIVKKHC-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CC[N@@H+](CC4CC4)C3)[nH]c2c1 ZINC000590689626 355148549 /nfs/dbraw/zinc/14/85/49/355148549.db2.gz IXDHXCACWLSAME-NSHDSACASA-N 1 1 301.350 1.789 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256113 355548449 /nfs/dbraw/zinc/54/84/49/355548449.db2.gz ZJMFTGMECAGLEG-GHMZBOCLSA-N 1 1 307.354 1.088 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000371664638 307155713 /nfs/dbraw/zinc/15/57/13/307155713.db2.gz WJSVTCAFOVYNQP-OLZOCXBDSA-N 1 1 309.391 1.494 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC[N@H+]1C ZINC000592792824 355693455 /nfs/dbraw/zinc/69/34/55/355693455.db2.gz AIWMWAWXFYLQQH-IAQYHMDHSA-N 1 1 319.361 1.525 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000593188885 355821168 /nfs/dbraw/zinc/82/11/68/355821168.db2.gz RPHPUJJZCQSUDQ-VWYCJHECSA-N 1 1 309.370 1.039 20 5 DDBDMO C[C@H](O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055361 356101251 /nfs/dbraw/zinc/10/12/51/356101251.db2.gz KZDXKESHWMJTCX-SMDDNHRTSA-N 1 1 310.350 1.180 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)CO)CC1 ZINC000594555519 356249926 /nfs/dbraw/zinc/24/99/26/356249926.db2.gz IBCQUZWPUAAKCA-UHFFFAOYSA-N 1 1 309.366 1.496 20 5 DDBDMO COc1cc(C[N@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000594613182 356266124 /nfs/dbraw/zinc/26/61/24/356266124.db2.gz ALMVAGLZVVKKRI-SNVBAGLBSA-N 1 1 310.350 1.957 20 5 DDBDMO COc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000594613182 356266127 /nfs/dbraw/zinc/26/61/27/356266127.db2.gz ALMVAGLZVVKKRI-SNVBAGLBSA-N 1 1 310.350 1.957 20 5 DDBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595319689 356448305 /nfs/dbraw/zinc/44/83/05/356448305.db2.gz CHBHXIUKTJISGB-SNVBAGLBSA-N 1 1 309.322 1.666 20 5 DDBDMO COCC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC000595562145 356553293 /nfs/dbraw/zinc/55/32/93/356553293.db2.gz FJQMDAMEIRVUNE-UHFFFAOYSA-N 1 1 312.370 1.434 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1COCCO1 ZINC000595738007 356629498 /nfs/dbraw/zinc/62/94/98/356629498.db2.gz UUDJBLBKBVADAM-BXUZGUMPSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595738007 356629499 /nfs/dbraw/zinc/62/94/99/356629499.db2.gz UUDJBLBKBVADAM-BXUZGUMPSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761674 356642189 /nfs/dbraw/zinc/64/21/89/356642189.db2.gz ZBHXHELHKJDLTN-DOMZBBRYSA-N 1 1 305.334 1.162 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]1(C)CO ZINC000595873336 356687390 /nfs/dbraw/zinc/68/73/90/356687390.db2.gz LVCGPQARYWNKSD-BMIGLBTASA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]1(C)CO ZINC000595873336 356687393 /nfs/dbraw/zinc/68/73/93/356687393.db2.gz LVCGPQARYWNKSD-BMIGLBTASA-N 1 1 304.350 1.921 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596439116 356881971 /nfs/dbraw/zinc/88/19/71/356881971.db2.gz BNMKEAILIVVVHF-LLVKDONJSA-N 1 1 308.382 1.784 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596498479 356898226 /nfs/dbraw/zinc/89/82/26/356898226.db2.gz CYPMLVZSTXXNQM-CYBMUJFWSA-N 1 1 320.393 1.785 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000597925367 357384283 /nfs/dbraw/zinc/38/42/83/357384283.db2.gz NVQHULWRXQKFFS-LBPRGKRZSA-N 1 1 321.377 1.963 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598451609 357588095 /nfs/dbraw/zinc/58/80/95/357588095.db2.gz CCBLCBLYKMEMCV-ZDUSSCGKSA-N 1 1 319.361 1.266 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000598589080 357643447 /nfs/dbraw/zinc/64/34/47/357643447.db2.gz CVUFVKBDWALIFM-NWDGAFQWSA-N 1 1 320.349 1.815 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598651505 357671399 /nfs/dbraw/zinc/67/13/99/357671399.db2.gz UPHUJDLSXVWQQV-NWDGAFQWSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598651505 357671405 /nfs/dbraw/zinc/67/14/05/357671405.db2.gz UPHUJDLSXVWQQV-NWDGAFQWSA-N 1 1 307.350 1.484 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000599139028 357826570 /nfs/dbraw/zinc/82/65/70/357826570.db2.gz MQHREJKANJCWNA-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CC2(C)COC2)c([N+](=O)[O-])c1 ZINC000599571513 357978947 /nfs/dbraw/zinc/97/89/47/357978947.db2.gz JQPWOHMYFOELCU-UHFFFAOYSA-N 1 1 310.350 1.951 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680488 358022444 /nfs/dbraw/zinc/02/24/44/358022444.db2.gz CZGRXVVVQAHDPQ-SGIREYDYSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680488 358022448 /nfs/dbraw/zinc/02/24/48/358022448.db2.gz CZGRXVVVQAHDPQ-SGIREYDYSA-N 1 1 319.361 1.687 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600071949 358115631 /nfs/dbraw/zinc/11/56/31/358115631.db2.gz JAEWVYUKXHTSNF-UHFFFAOYSA-N 1 1 309.341 1.641 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](O)COCC3CC3)c2c1 ZINC000601108436 358404574 /nfs/dbraw/zinc/40/45/74/358404574.db2.gz HLELXOXVMVYZOH-ZDUSSCGKSA-N 1 1 317.345 1.764 20 5 DDBDMO C[C@H](CN1CCCC1=O)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601106549 358404845 /nfs/dbraw/zinc/40/48/45/358404845.db2.gz ZHOGMOKEXBNLOF-LLVKDONJSA-N 1 1 314.345 1.988 20 5 DDBDMO CN1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCC1=O ZINC000601119746 358409907 /nfs/dbraw/zinc/40/99/07/358409907.db2.gz BCLANHRVPLTMHQ-SNVBAGLBSA-N 1 1 300.318 1.598 20 5 DDBDMO CN(C)CC[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103791 358403864 /nfs/dbraw/zinc/40/38/64/358403864.db2.gz HPBXNTYRNJUVRR-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@]3(O)CCOC3)c2c1 ZINC000601183908 358437789 /nfs/dbraw/zinc/43/77/89/358437789.db2.gz HWAHHRSOWVODNF-HNNXBMFYSA-N 1 1 303.318 1.518 20 5 DDBDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000602448571 358983876 /nfs/dbraw/zinc/98/38/76/358983876.db2.gz MKUJIYUBPHXQLN-LBPRGKRZSA-N 1 1 316.365 1.806 20 5 DDBDMO Cc1nccc([C@H]2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000602448571 358983877 /nfs/dbraw/zinc/98/38/77/358983877.db2.gz MKUJIYUBPHXQLN-LBPRGKRZSA-N 1 1 316.365 1.806 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000602482358 359008465 /nfs/dbraw/zinc/00/84/65/359008465.db2.gz FNZOCNGWIYKYMU-DGCLKSJQSA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000602482358 359008467 /nfs/dbraw/zinc/00/84/67/359008467.db2.gz FNZOCNGWIYKYMU-DGCLKSJQSA-N 1 1 304.354 1.608 20 5 DDBDMO COC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(C)o1 ZINC000602808706 359205413 /nfs/dbraw/zinc/20/54/13/359205413.db2.gz YUJRQOCGRWJSDJ-LBPRGKRZSA-N 1 1 308.338 1.978 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000602819417 359214403 /nfs/dbraw/zinc/21/44/03/359214403.db2.gz BGPUSIKALOJBCS-SLEUVZQESA-N 1 1 324.381 1.368 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000602831703 359223987 /nfs/dbraw/zinc/22/39/87/359223987.db2.gz PWHXIDNHNMMMKF-NVXWUHKLSA-N 1 1 322.405 1.981 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000602914518 359291892 /nfs/dbraw/zinc/29/18/92/359291892.db2.gz FVRMCLBWQQTHKO-UPJWGTAASA-N 1 1 322.365 1.492 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000602914518 359291899 /nfs/dbraw/zinc/29/18/99/359291899.db2.gz FVRMCLBWQQTHKO-UPJWGTAASA-N 1 1 322.365 1.492 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000602965137 359329025 /nfs/dbraw/zinc/32/90/25/359329025.db2.gz ZRSBCKOQALTQTI-DZGCQCFKSA-N 1 1 310.350 1.575 20 5 DDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982686 359337806 /nfs/dbraw/zinc/33/78/06/359337806.db2.gz WUAJRYJQQFKXQC-GOEBONIOSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997598 359346658 /nfs/dbraw/zinc/34/66/58/359346658.db2.gz NKDLRMNACFFHFG-IHRRRGAJSA-N 1 1 308.382 1.725 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089676 359395856 /nfs/dbraw/zinc/39/58/56/359395856.db2.gz SGNPGQZTCDIGCQ-NHYWBVRUSA-N 1 1 305.334 1.298 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403028 359618658 /nfs/dbraw/zinc/61/86/58/359618658.db2.gz QRWIAHMHTSLZBM-NSHDSACASA-N 1 1 322.365 1.385 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000187061663 200054968 /nfs/dbraw/zinc/05/49/68/200054968.db2.gz DVWAKMWVEFJXBJ-UHFFFAOYSA-N 1 1 323.349 1.007 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000187061663 200054970 /nfs/dbraw/zinc/05/49/70/200054970.db2.gz DVWAKMWVEFJXBJ-UHFFFAOYSA-N 1 1 323.349 1.007 20 5 DDBDMO CO[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189289013 200376547 /nfs/dbraw/zinc/37/65/47/200376547.db2.gz JTFVLQOWJJIDGS-DOMZBBRYSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189289013 200376548 /nfs/dbraw/zinc/37/65/48/200376548.db2.gz JTFVLQOWJJIDGS-DOMZBBRYSA-N 1 1 321.377 1.914 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000609204401 360274045 /nfs/dbraw/zinc/27/40/45/360274045.db2.gz MUQXDZKGYRNRMX-ZFWWWQNUSA-N 1 1 324.377 1.429 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609257955 360276672 /nfs/dbraw/zinc/27/66/72/360276672.db2.gz XMJKJWLLMUPOQT-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000292407730 223057156 /nfs/dbraw/zinc/05/71/56/223057156.db2.gz LTPPWUGLFOCKSR-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000292407730 223057157 /nfs/dbraw/zinc/05/71/57/223057157.db2.gz LTPPWUGLFOCKSR-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609797420 360351127 /nfs/dbraw/zinc/35/11/27/360351127.db2.gz ZLKBVHZKVKHWFZ-CQSZACIVSA-N 1 1 305.382 1.206 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000609883747 360360488 /nfs/dbraw/zinc/36/04/88/360360488.db2.gz STYNPGBLBZSYSP-SECBINFHSA-N 1 1 307.306 1.272 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000611256834 360680916 /nfs/dbraw/zinc/68/09/16/360680916.db2.gz JCSZOHFHATYCQE-MNOVXSKESA-N 1 1 306.366 1.483 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000611616290 360777110 /nfs/dbraw/zinc/77/71/10/360777110.db2.gz UVILJOULOFNASV-CHWSQXEVSA-N 1 1 308.382 1.498 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000359058414 299316443 /nfs/dbraw/zinc/31/64/43/299316443.db2.gz WYNACLBOMOERFV-LLVKDONJSA-N 1 1 306.366 1.680 20 5 DDBDMO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000618779150 363757447 /nfs/dbraw/zinc/75/74/47/363757447.db2.gz KELIDDGMPUWDBO-LBPRGKRZSA-N 1 1 321.333 1.973 20 5 DDBDMO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000618779150 363757452 /nfs/dbraw/zinc/75/74/52/363757452.db2.gz KELIDDGMPUWDBO-LBPRGKRZSA-N 1 1 321.333 1.973 20 5 DDBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000194878137 201305531 /nfs/dbraw/zinc/30/55/31/201305531.db2.gz VJUFHNJMXCLMPI-OAHLLOKOSA-N 1 1 324.381 1.703 20 5 DDBDMO CNC(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000264843274 204201776 /nfs/dbraw/zinc/20/17/76/204201776.db2.gz XVKDSSRHAWFAGN-UHFFFAOYSA-N 1 1 324.406 1.415 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000288530863 220207814 /nfs/dbraw/zinc/20/78/14/220207814.db2.gz UOIAQEZQKCGNJG-UHFFFAOYSA-N 1 1 315.333 1.274 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC)C1 ZINC000267863979 206309565 /nfs/dbraw/zinc/30/95/65/206309565.db2.gz YPVKYYURTLMUAF-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000267947290 206353734 /nfs/dbraw/zinc/35/37/34/206353734.db2.gz SLEXFAUXMWGPQQ-FZMZJTMJSA-N 1 1 320.349 1.971 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000038533613 183001896 /nfs/dbraw/zinc/00/18/96/183001896.db2.gz USGZOWDDVDCOKJ-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO COc1ncc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000337184574 249378601 /nfs/dbraw/zinc/37/86/01/249378601.db2.gz OKOZHBZQQYOARQ-UHFFFAOYSA-N 1 1 315.333 1.655 20 5 DDBDMO COc1ncc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000337184574 249378603 /nfs/dbraw/zinc/37/86/03/249378603.db2.gz OKOZHBZQQYOARQ-UHFFFAOYSA-N 1 1 315.333 1.655 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285277903 218363029 /nfs/dbraw/zinc/36/30/29/218363029.db2.gz AXOWAXXCGSACPW-KGLIPLIRSA-N 1 1 304.350 1.235 20 5 DDBDMO CC(C)(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000109329982 194258297 /nfs/dbraw/zinc/25/82/97/194258297.db2.gz NRTVXNFPFOWRNS-CYBMUJFWSA-N 1 1 323.349 1.451 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000109429005 194262846 /nfs/dbraw/zinc/26/28/46/194262846.db2.gz LIKPIUCJYGJAEN-SNVBAGLBSA-N 1 1 321.381 1.485 20 5 DDBDMO C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000269219897 207339100 /nfs/dbraw/zinc/33/91/00/207339100.db2.gz ZYZZALJHEFVTTA-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)O ZINC000114204749 194639645 /nfs/dbraw/zinc/63/96/45/194639645.db2.gz PCUFEOWUQHSUHJ-UHFFFAOYSA-N 1 1 321.377 1.577 20 5 DDBDMO COc1cc(C[NH+]2CCC(NC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000352539627 285126702 /nfs/dbraw/zinc/12/67/02/285126702.db2.gz BJPQVRKWVGKMCE-UHFFFAOYSA-N 1 1 308.338 1.236 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)c(O)co1 ZINC000352550735 285134324 /nfs/dbraw/zinc/13/43/24/285134324.db2.gz QCHHZTJWLZLUOA-UHFFFAOYSA-N 1 1 304.302 1.928 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)c(O)co1 ZINC000352550735 285134328 /nfs/dbraw/zinc/13/43/28/285134328.db2.gz QCHHZTJWLZLUOA-UHFFFAOYSA-N 1 1 304.302 1.928 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246994856 285156945 /nfs/dbraw/zinc/15/69/45/285156945.db2.gz BEDVKTIRAKAEAY-GJZGRUSLSA-N 1 1 321.377 1.115 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000352590972 285161655 /nfs/dbraw/zinc/16/16/55/285161655.db2.gz PPLSADPEGVGDJS-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@H]1OCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156562041 197123325 /nfs/dbraw/zinc/12/33/25/197123325.db2.gz JQJBSKOPJPPVAD-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@H]1OCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156562041 197123326 /nfs/dbraw/zinc/12/33/26/197123326.db2.gz JQJBSKOPJPPVAD-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000414144586 224304584 /nfs/dbraw/zinc/30/45/84/224304584.db2.gz OTALQRBWLPPRGQ-AWEZNQCLSA-N 1 1 323.393 1.199 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C ZINC000330790362 533590563 /nfs/dbraw/zinc/59/05/63/533590563.db2.gz AOGWGFBYFQORTF-ZJUUUORDSA-N 1 1 307.354 1.127 20 5 DDBDMO COc1cccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569191591 304339870 /nfs/dbraw/zinc/33/98/70/304339870.db2.gz JADXVSBRPYLQNY-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000360985590 299787498 /nfs/dbraw/zinc/78/74/98/299787498.db2.gz PGQIZOMNZUFCKT-ZDUSSCGKSA-N 1 1 323.397 1.278 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000068369199 406637206 /nfs/dbraw/zinc/63/72/06/406637206.db2.gz HJCFPSSDWGSHHR-ZDUSSCGKSA-N 1 1 320.349 1.182 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000037647822 406992995 /nfs/dbraw/zinc/99/29/95/406992995.db2.gz XRGUUUNRYZGTAI-SNVBAGLBSA-N 1 1 313.379 1.362 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046988447 407068219 /nfs/dbraw/zinc/06/82/19/407068219.db2.gz UZIGPMSWTFQQPD-CYBMUJFWSA-N 1 1 323.397 1.562 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CCO1 ZINC000124309807 407353671 /nfs/dbraw/zinc/35/36/71/407353671.db2.gz XUIWTGHLUBDZMQ-LLVKDONJSA-N 1 1 323.349 1.513 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000105610981 407354749 /nfs/dbraw/zinc/35/47/49/407354749.db2.gz PVDSNBURIPTXSW-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000108783531 407390559 /nfs/dbraw/zinc/39/05/59/407390559.db2.gz YJLFDOAIYHQATA-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000178516433 407478305 /nfs/dbraw/zinc/47/83/05/407478305.db2.gz LZOHREXSTYSDLU-NSHDSACASA-N 1 1 310.354 1.455 20 5 DDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000265766036 407442792 /nfs/dbraw/zinc/44/27/92/407442792.db2.gz HXKUGHMHIHDRDJ-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000265766036 407442800 /nfs/dbraw/zinc/44/28/00/407442800.db2.gz HXKUGHMHIHDRDJ-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185845797 407517005 /nfs/dbraw/zinc/51/70/05/407517005.db2.gz IOKVAZRWXJWYKE-LBPRGKRZSA-N 1 1 313.379 1.310 20 5 DDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185845797 407517022 /nfs/dbraw/zinc/51/70/22/407517022.db2.gz IOKVAZRWXJWYKE-LBPRGKRZSA-N 1 1 313.379 1.310 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1C[C@@H](C)O ZINC000266309717 407536657 /nfs/dbraw/zinc/53/66/57/407536657.db2.gz DIKFHRDHFWDIDC-OLZOCXBDSA-N 1 1 308.382 1.580 20 5 DDBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000221174532 407544265 /nfs/dbraw/zinc/54/42/65/407544265.db2.gz PFUXQIYWUARHJH-VIFPVBQESA-N 1 1 317.342 1.106 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000221174532 407544269 /nfs/dbraw/zinc/54/42/69/407544269.db2.gz PFUXQIYWUARHJH-VIFPVBQESA-N 1 1 317.342 1.106 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271405781 407674273 /nfs/dbraw/zinc/67/42/73/407674273.db2.gz NKIVXWZXLBWRFZ-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115443614 407680403 /nfs/dbraw/zinc/68/04/03/407680403.db2.gz PPMAYMYLUVEZFZ-LBPRGKRZSA-N 1 1 306.366 1.712 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261984782 407701986 /nfs/dbraw/zinc/70/19/86/407701986.db2.gz AVGVVOVSORCOSH-CJNGLKHVSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261984782 407701990 /nfs/dbraw/zinc/70/19/90/407701990.db2.gz AVGVVOVSORCOSH-CJNGLKHVSA-N 1 1 304.394 1.635 20 5 DDBDMO C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000171609705 407720664 /nfs/dbraw/zinc/72/06/64/407720664.db2.gz SSYWRAXWKYAZGE-LLVKDONJSA-N 1 1 306.366 1.877 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891061 407790658 /nfs/dbraw/zinc/79/06/58/407790658.db2.gz VXMYHPBLYAPWAB-JQWIXIFHSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891061 407790665 /nfs/dbraw/zinc/79/06/65/407790665.db2.gz VXMYHPBLYAPWAB-JQWIXIFHSA-N 1 1 313.379 1.279 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000117285212 407820170 /nfs/dbraw/zinc/82/01/70/407820170.db2.gz ZAWLYFQZOVEYOO-GFCCVEGCSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000117285212 407820175 /nfs/dbraw/zinc/82/01/75/407820175.db2.gz ZAWLYFQZOVEYOO-GFCCVEGCSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000117295787 407827244 /nfs/dbraw/zinc/82/72/44/407827244.db2.gz WSISLICBJDJUTI-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000117295787 407827245 /nfs/dbraw/zinc/82/72/45/407827245.db2.gz WSISLICBJDJUTI-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO O=C(NC[C@@H]1CCCC[NH2+]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237918429 407852024 /nfs/dbraw/zinc/85/20/24/407852024.db2.gz ZDIRAEHYSPVJFD-VIFPVBQESA-N 1 1 303.322 1.343 20 5 DDBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841687 407953229 /nfs/dbraw/zinc/95/32/29/407953229.db2.gz QYRZSNAMWDHHRW-CYBMUJFWSA-N 1 1 320.393 1.807 20 5 DDBDMO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153896429 407926439 /nfs/dbraw/zinc/92/64/39/407926439.db2.gz AJQDQOXVUQVKEB-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268280900 407982327 /nfs/dbraw/zinc/98/23/27/407982327.db2.gz YCHCOGQEUNRQAL-NSHDSACASA-N 1 1 309.370 1.334 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)C1 ZINC000245437640 407984799 /nfs/dbraw/zinc/98/47/99/407984799.db2.gz RPDNBHCHDYGKQG-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CO)C1 ZINC000245437640 407984805 /nfs/dbraw/zinc/98/48/05/407984805.db2.gz RPDNBHCHDYGKQG-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO CSCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182024193 408065085 /nfs/dbraw/zinc/06/50/85/408065085.db2.gz KHFYWDBEZQWPAQ-NSHDSACASA-N 1 1 300.380 1.629 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245949965 408109240 /nfs/dbraw/zinc/10/92/40/408109240.db2.gz SKFHYYDRQXYOON-GOEBONIOSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@@]1(O)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245949965 408109246 /nfs/dbraw/zinc/10/92/46/408109246.db2.gz SKFHYYDRQXYOON-GOEBONIOSA-N 1 1 319.361 1.547 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1C[C@@H](C)O ZINC000150767519 408196562 /nfs/dbraw/zinc/19/65/62/408196562.db2.gz LCRLUWVUTSKYIN-YPMHNXCESA-N 1 1 308.382 1.580 20 5 DDBDMO COC[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339207 408157399 /nfs/dbraw/zinc/15/73/99/408157399.db2.gz NIMCEMDYUYQEKH-STQMWFEESA-N 1 1 310.350 1.303 20 5 DDBDMO Cc1c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnn1C ZINC000121282471 408177494 /nfs/dbraw/zinc/17/74/94/408177494.db2.gz JNCADHFRSKEJJZ-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO CCOc1ccc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000190303285 408216150 /nfs/dbraw/zinc/21/61/50/408216150.db2.gz MEMULRLXEMSTHE-UHFFFAOYSA-N 1 1 303.265 1.317 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246315642 408216464 /nfs/dbraw/zinc/21/64/64/408216464.db2.gz KBGUGJKJJZPNRT-DOMZBBRYSA-N 1 1 318.377 1.702 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662241 408383573 /nfs/dbraw/zinc/38/35/73/408383573.db2.gz QVMSHLBTGJHWHW-LSDHHAIUSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662241 408383579 /nfs/dbraw/zinc/38/35/79/408383579.db2.gz QVMSHLBTGJHWHW-LSDHHAIUSA-N 1 1 319.361 1.371 20 5 DDBDMO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000269699307 408398345 /nfs/dbraw/zinc/39/83/45/408398345.db2.gz QGVADBUWSQDGDX-LBPRGKRZSA-N 1 1 323.418 1.691 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccccc1 ZINC000270338984 408494566 /nfs/dbraw/zinc/49/45/66/408494566.db2.gz ZBGUPNRJIBOLBA-WCQYABFASA-N 1 1 314.349 1.824 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177033702 408502469 /nfs/dbraw/zinc/50/24/69/408502469.db2.gz SMCLSNVZAAOGAC-NWDGAFQWSA-N 1 1 318.377 1.748 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000248374144 408553230 /nfs/dbraw/zinc/55/32/30/408553230.db2.gz NZUIBEWWRDPCIU-VNHYZAJKSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000265169890 408569164 /nfs/dbraw/zinc/56/91/64/408569164.db2.gz YNGBFIKKOJLPGP-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192477396 408594804 /nfs/dbraw/zinc/59/48/04/408594804.db2.gz JEDSEEDIMJEESC-TXEJJXNPSA-N 1 1 318.377 1.294 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874708 408718683 /nfs/dbraw/zinc/71/86/83/408718683.db2.gz JQFSYHUUKMGFMZ-LSDHHAIUSA-N 1 1 319.361 1.325 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CCCC1 ZINC000178193772 408785860 /nfs/dbraw/zinc/78/58/60/408785860.db2.gz PJSLHSZYERYJJG-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO COc1cccc(N[C@H](C)CN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185385107 408802413 /nfs/dbraw/zinc/80/24/13/408802413.db2.gz WRPLNMQFHZDFIQ-GFCCVEGCSA-N 1 1 308.382 1.651 20 5 DDBDMO COc1cccc(N[C@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185385107 408802418 /nfs/dbraw/zinc/80/24/18/408802418.db2.gz WRPLNMQFHZDFIQ-GFCCVEGCSA-N 1 1 308.382 1.651 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000281315869 408880103 /nfs/dbraw/zinc/88/01/03/408880103.db2.gz QVVLCTSYPDCPRS-NEPJUHHUSA-N 1 1 321.333 1.534 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]2C1 ZINC000276337663 408838998 /nfs/dbraw/zinc/83/89/98/408838998.db2.gz HOPWYXVSVWSKNP-YGRLFVJLSA-N 1 1 304.350 1.343 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)C(C)C)n1 ZINC000286188969 408939449 /nfs/dbraw/zinc/93/94/49/408939449.db2.gz QRNHGPKBVCACQE-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000286929958 409002152 /nfs/dbraw/zinc/00/21/52/409002152.db2.gz LIVWJPMMIZMOEI-UHFFFAOYSA-N 1 1 308.338 1.227 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282209808 409010855 /nfs/dbraw/zinc/01/08/55/409010855.db2.gz XWAPLHJJVKLTEZ-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000287607663 409062815 /nfs/dbraw/zinc/06/28/15/409062815.db2.gz FXBTVEXICLOSNI-TXEJJXNPSA-N 1 1 308.382 1.722 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)c2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000287607663 409062817 /nfs/dbraw/zinc/06/28/17/409062817.db2.gz FXBTVEXICLOSNI-TXEJJXNPSA-N 1 1 308.382 1.722 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CN1 ZINC000278870966 409105516 /nfs/dbraw/zinc/10/55/16/409105516.db2.gz MARCWFFQVKHPFR-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CN1 ZINC000278870966 409105517 /nfs/dbraw/zinc/10/55/17/409105517.db2.gz MARCWFFQVKHPFR-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283281168 409128099 /nfs/dbraw/zinc/12/80/99/409128099.db2.gz MBTNNCYGBIXOCD-ZDUSSCGKSA-N 1 1 321.333 1.561 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283281168 409128102 /nfs/dbraw/zinc/12/81/02/409128102.db2.gz MBTNNCYGBIXOCD-ZDUSSCGKSA-N 1 1 321.333 1.561 20 5 DDBDMO Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cc1[N+](=O)[O-] ZINC000293567611 409140169 /nfs/dbraw/zinc/14/01/69/409140169.db2.gz DGDIHUBYRHJFSU-TZMCWYRMSA-N 1 1 321.377 1.430 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000293584203 409142960 /nfs/dbraw/zinc/14/29/60/409142960.db2.gz ANVNIKKECDORLQ-OAHLLOKOSA-N 1 1 307.325 1.902 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279125030 409153047 /nfs/dbraw/zinc/15/30/47/409153047.db2.gz VFTXBLPRROWMNH-BMIGLBTASA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279125030 409153050 /nfs/dbraw/zinc/15/30/50/409153050.db2.gz VFTXBLPRROWMNH-BMIGLBTASA-N 1 1 318.333 1.330 20 5 DDBDMO Cc1c(C[NH2+]C2(CO)COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000279228026 409173548 /nfs/dbraw/zinc/17/35/48/409173548.db2.gz IWMXLPFEFRBNBE-UHFFFAOYSA-N 1 1 310.350 1.507 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CCC[N@@H+](C)C1 ZINC000279391719 409204915 /nfs/dbraw/zinc/20/49/15/409204915.db2.gz IUUSHJBBLNTUTD-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284715656 409359221 /nfs/dbraw/zinc/35/92/21/409359221.db2.gz ULZRFXDBGTWFQS-JKSUJKDBSA-N 1 1 305.378 1.808 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295389144 409460555 /nfs/dbraw/zinc/46/05/55/409460555.db2.gz KZODMTYQMSYXRX-OAGGEKHMSA-N 1 1 321.377 1.033 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000290517636 409429500 /nfs/dbraw/zinc/42/95/00/409429500.db2.gz GZPVQDDCRMFICP-SNVBAGLBSA-N 1 1 311.386 1.487 20 5 DDBDMO CNc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000317037811 164024927 /nfs/dbraw/zinc/02/49/27/164024927.db2.gz RKJBJWNUNWEVEP-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317537929 164027662 /nfs/dbraw/zinc/02/76/62/164027662.db2.gz ARKYQLYRRXCJHC-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296420162 409541890 /nfs/dbraw/zinc/54/18/90/409541890.db2.gz LIWLORGAOSOLCE-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356766596 409585998 /nfs/dbraw/zinc/58/59/98/409585998.db2.gz LBYNHUBEYRCVLI-NSHDSACASA-N 1 1 311.386 1.335 20 5 DDBDMO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)n1cc([N+](=O)[O-])cn1 ZINC000331663734 409746898 /nfs/dbraw/zinc/74/68/98/409746898.db2.gz OSTXSGJXVVBHRF-STQMWFEESA-N 1 1 321.381 1.269 20 5 DDBDMO CC[N@H+](Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)C1CC1 ZINC000350930270 410016531 /nfs/dbraw/zinc/01/65/31/410016531.db2.gz ULWINFRBNZVHKJ-UHFFFAOYSA-N 1 1 306.326 1.671 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1)C1CC1 ZINC000350930270 410016539 /nfs/dbraw/zinc/01/65/39/410016539.db2.gz ULWINFRBNZVHKJ-UHFFFAOYSA-N 1 1 306.326 1.671 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357460900 410052375 /nfs/dbraw/zinc/05/23/75/410052375.db2.gz RRFGCWKBNDADCO-ZJUUUORDSA-N 1 1 307.354 1.008 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110958 410156149 /nfs/dbraw/zinc/15/61/49/410156149.db2.gz YVGJCOIKKMOVCK-XHDPSFHLSA-N 1 1 319.361 1.382 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000332585871 410184976 /nfs/dbraw/zinc/18/49/76/410184976.db2.gz HRAPPWSIXVKDJF-GFCCVEGCSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000332585871 410184983 /nfs/dbraw/zinc/18/49/83/410184983.db2.gz HRAPPWSIXVKDJF-GFCCVEGCSA-N 1 1 306.366 1.069 20 5 DDBDMO C[N@@H+](CC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000343315510 410345390 /nfs/dbraw/zinc/34/53/90/410345390.db2.gz XVZUFLFTNLGGTJ-ZDUSSCGKSA-N 1 1 323.418 1.691 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000358361128 410453936 /nfs/dbraw/zinc/45/39/36/410453936.db2.gz WGNGXKOOUJGUDA-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355351921 410461415 /nfs/dbraw/zinc/46/14/15/410461415.db2.gz UYRLUIOKSDHMQK-CABCVRRESA-N 1 1 319.361 1.530 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000352204018 410543777 /nfs/dbraw/zinc/54/37/77/410543777.db2.gz WFKVQLKOLZATEZ-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000352204018 410543783 /nfs/dbraw/zinc/54/37/83/410543783.db2.gz WFKVQLKOLZATEZ-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CCOc1cc(NC2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000301207884 410675544 /nfs/dbraw/zinc/67/55/44/410675544.db2.gz UKLKVSFGVMYRPR-UHFFFAOYSA-N 1 1 322.365 1.355 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310866 410707079 /nfs/dbraw/zinc/70/70/79/410707079.db2.gz BOZAOEYZSONRPI-HUBLWGQQSA-N 1 1 319.361 1.626 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301921804 410830351 /nfs/dbraw/zinc/83/03/51/410830351.db2.gz DQHFUNQBYVCOQC-NWDGAFQWSA-N 1 1 323.397 1.556 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301921804 410830356 /nfs/dbraw/zinc/83/03/56/410830356.db2.gz DQHFUNQBYVCOQC-NWDGAFQWSA-N 1 1 323.397 1.556 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000330643407 410847188 /nfs/dbraw/zinc/84/71/88/410847188.db2.gz DZSQEQUULCUGQU-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000330643407 410847195 /nfs/dbraw/zinc/84/71/95/410847195.db2.gz DZSQEQUULCUGQU-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000331131765 410967840 /nfs/dbraw/zinc/96/78/40/410967840.db2.gz GYDSCNOQQLOVAV-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419010340 226003683 /nfs/dbraw/zinc/00/36/83/226003683.db2.gz XSEZIOCNOCUCNK-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000419010340 226003685 /nfs/dbraw/zinc/00/36/85/226003685.db2.gz XSEZIOCNOCUCNK-NXEZZACHSA-N 1 1 314.773 1.535 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000191632787 222106696 /nfs/dbraw/zinc/10/66/96/222106696.db2.gz PDMPXYUYXRYKGZ-QWRGUYRKSA-N 1 1 309.370 1.223 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190015252 222065637 /nfs/dbraw/zinc/06/56/37/222065637.db2.gz RNJZPPXYLLBJRN-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361408638 418645849 /nfs/dbraw/zinc/64/58/49/418645849.db2.gz PLLQRABNSLHNKS-LBPRGKRZSA-N 1 1 318.333 1.990 20 5 DDBDMO CO[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371882 418639039 /nfs/dbraw/zinc/63/90/39/418639039.db2.gz JEAOLWLJVZJYHA-UONOGXRCSA-N 1 1 305.334 1.421 20 5 DDBDMO CO[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371882 418639041 /nfs/dbraw/zinc/63/90/41/418639041.db2.gz JEAOLWLJVZJYHA-UONOGXRCSA-N 1 1 305.334 1.421 20 5 DDBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000370997493 418755848 /nfs/dbraw/zinc/75/58/48/418755848.db2.gz INPQNSPQKYHIRA-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000370997493 418755850 /nfs/dbraw/zinc/75/58/50/418755850.db2.gz INPQNSPQKYHIRA-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(F)cn3)CC2)c1 ZINC000371541478 418799128 /nfs/dbraw/zinc/79/91/28/418799128.db2.gz BNIWZIANEXUCFM-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO Cc1ccc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364933218 418824664 /nfs/dbraw/zinc/82/46/64/418824664.db2.gz LPDWGZWUWJIPAA-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CCc1nc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365724273 418900408 /nfs/dbraw/zinc/90/04/08/418900408.db2.gz QHMLVSZKVHTJJR-LLVKDONJSA-N 1 1 320.353 1.616 20 5 DDBDMO CCc1nc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365724273 418900410 /nfs/dbraw/zinc/90/04/10/418900410.db2.gz QHMLVSZKVHTJJR-LLVKDONJSA-N 1 1 320.353 1.616 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365106188 418838307 /nfs/dbraw/zinc/83/83/07/418838307.db2.gz CKTBLABIQDJKRP-MRXNPFEDSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420950423 419380419 /nfs/dbraw/zinc/38/04/19/419380419.db2.gz WLNMYJIRUJFWIO-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@H]2C1 ZINC000427782261 419735012 /nfs/dbraw/zinc/73/50/12/419735012.db2.gz URXDZNLDMLOPDL-PHIMTYICSA-N 1 1 314.345 1.710 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000427819704 419742783 /nfs/dbraw/zinc/74/27/83/419742783.db2.gz RIRUSQHUCQVIJE-JTQLQIEISA-N 1 1 320.353 1.382 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCCCO ZINC000434661906 229317134 /nfs/dbraw/zinc/31/71/34/229317134.db2.gz AOSMZJJKORIXKC-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1(CO)CCC1 ZINC000429254643 419993982 /nfs/dbraw/zinc/99/39/82/419993982.db2.gz LJIGVPXJKVYJRE-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[C@@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000419289659 420051437 /nfs/dbraw/zinc/05/14/37/420051437.db2.gz QXNOUSOOAUKWLD-ZDUSSCGKSA-N 1 1 321.377 1.778 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCN1CCOCC1 ZINC000430230603 420092971 /nfs/dbraw/zinc/09/29/71/420092971.db2.gz YSAZUMQKXSOPBO-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCN1CCOCC1 ZINC000430230603 420092975 /nfs/dbraw/zinc/09/29/75/420092975.db2.gz YSAZUMQKXSOPBO-UHFFFAOYSA-N 1 1 309.366 1.367 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430967675 420228122 /nfs/dbraw/zinc/22/81/22/420228122.db2.gz UDUFBENVXWVGAC-SMDDNHRTSA-N 1 1 306.366 1.593 20 5 DDBDMO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444745341 230130275 /nfs/dbraw/zinc/13/02/75/230130275.db2.gz QRQUEXMIRRWIMM-CQSZACIVSA-N 1 1 322.340 1.732 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000438840396 420467357 /nfs/dbraw/zinc/46/73/57/420467357.db2.gz YUFFYOBXKPXSNE-LBPRGKRZSA-N 1 1 305.378 1.998 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439358397 420508701 /nfs/dbraw/zinc/50/87/01/420508701.db2.gz XXWWRZQHSXMRGG-NSHDSACASA-N 1 1 320.349 1.086 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC=CCC1 ZINC000492320558 420523469 /nfs/dbraw/zinc/52/34/69/420523469.db2.gz PDKNPYHIXIOLLY-TWGQIWQCSA-N 1 1 301.346 1.986 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450797804 420532993 /nfs/dbraw/zinc/53/29/93/420532993.db2.gz XOZGYHMEWBABHW-BETUJISGSA-N 1 1 306.366 1.882 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000450949263 420566953 /nfs/dbraw/zinc/56/69/53/420566953.db2.gz AMDUUSOZTPNQDQ-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000452068543 420619902 /nfs/dbraw/zinc/61/99/02/420619902.db2.gz OSUXFJMZOKOXFF-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000492724683 420642031 /nfs/dbraw/zinc/64/20/31/420642031.db2.gz ZUZLXQKUEMCSLT-IRBQFCFKSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000492724683 420642035 /nfs/dbraw/zinc/64/20/35/420642035.db2.gz ZUZLXQKUEMCSLT-IRBQFCFKSA-N 1 1 319.361 1.133 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444700029 420759824 /nfs/dbraw/zinc/75/98/24/420759824.db2.gz FOSHXCNRDUJYOA-ONGXEEELSA-N 1 1 318.333 1.855 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444700029 420759829 /nfs/dbraw/zinc/75/98/29/420759829.db2.gz FOSHXCNRDUJYOA-ONGXEEELSA-N 1 1 318.333 1.855 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000454790628 420924926 /nfs/dbraw/zinc/92/49/26/420924926.db2.gz CSQSASTUJPHKQR-GHMZBOCLSA-N 1 1 319.365 1.388 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455769100 421059575 /nfs/dbraw/zinc/05/95/75/421059575.db2.gz YUSJAPJMERAGML-VHSXEESVSA-N 1 1 307.354 1.244 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455461574 421019396 /nfs/dbraw/zinc/01/93/96/421019396.db2.gz OPIYCAXIGANXRN-UHFFFAOYSA-N 1 1 307.354 1.199 20 5 DDBDMO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000488177658 421074206 /nfs/dbraw/zinc/07/42/06/421074206.db2.gz FZZUUTDAIFQADI-OAHLLOKOSA-N 1 1 320.393 1.805 20 5 DDBDMO CC[C@@H]1CN(CC)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000456390739 421158391 /nfs/dbraw/zinc/15/83/91/421158391.db2.gz VTXHCIGWVYRGLD-LLVKDONJSA-N 1 1 307.350 1.857 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000567625554 421612973 /nfs/dbraw/zinc/61/29/73/421612973.db2.gz SMZINUMZBXQOMT-JTQLQIEISA-N 1 1 307.354 1.176 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633386 421640566 /nfs/dbraw/zinc/64/05/66/421640566.db2.gz NSUPXZBNLWTDIF-ZDUSSCGKSA-N 1 1 322.365 1.076 20 5 DDBDMO CN1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000518674174 421662363 /nfs/dbraw/zinc/66/23/63/421662363.db2.gz BPDYIODSOXWSLV-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC3(O)CCC3)C2)nc1 ZINC000520531259 421754542 /nfs/dbraw/zinc/75/45/42/421754542.db2.gz HXAWEFMGTVSIGW-LBPRGKRZSA-N 1 1 306.366 1.781 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000558681386 421820075 /nfs/dbraw/zinc/82/00/75/421820075.db2.gz VCUADLSMMLGMNQ-UHFFFAOYSA-N 1 1 318.337 1.287 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000542651508 421826317 /nfs/dbraw/zinc/82/63/17/421826317.db2.gz GJAKEZXNICBHNP-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])CCC(F)(F)F ZINC000559041098 421829528 /nfs/dbraw/zinc/82/95/28/421829528.db2.gz PTWXUWUKZVZTNK-UHFFFAOYSA-N 1 1 323.275 1.322 20 5 DDBDMO NC(=O)c1cccc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000557520163 421773971 /nfs/dbraw/zinc/77/39/71/421773971.db2.gz WBQWURCPHWKIKJ-SNVBAGLBSA-N 1 1 304.350 1.590 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611701149 422478843 /nfs/dbraw/zinc/47/88/43/422478843.db2.gz OQQUWSQHULHMQM-UHFFFAOYSA-N 1 1 319.365 1.918 20 5 DDBDMO CNc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000322936697 271031158 /nfs/dbraw/zinc/03/11/58/271031158.db2.gz PTAGXGPVSUQLEZ-YOGCLGLASA-N 1 1 318.377 1.992 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000131925867 274034789 /nfs/dbraw/zinc/03/47/89/274034789.db2.gz MMIIGQWQCIERBK-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+]1CCOCC1 ZINC000301952533 274226551 /nfs/dbraw/zinc/22/65/51/274226551.db2.gz CFOVRBJUMAQSNZ-NSHDSACASA-N 1 1 320.353 1.018 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268926147 274511302 /nfs/dbraw/zinc/51/13/02/274511302.db2.gz LATQRQIPUFYPQG-JTQLQIEISA-N 1 1 303.322 1.618 20 5 DDBDMO CCC[NH+]1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000133133752 276013243 /nfs/dbraw/zinc/01/32/43/276013243.db2.gz ZIKTYRULLQMOQW-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C1CC1 ZINC000078496216 276130069 /nfs/dbraw/zinc/13/00/69/276130069.db2.gz UGIMIBVKHLLYMQ-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269468883 276377404 /nfs/dbraw/zinc/37/74/04/276377404.db2.gz ILVNMBIWUOUDBK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269468883 276377405 /nfs/dbraw/zinc/37/74/05/276377405.db2.gz ILVNMBIWUOUDBK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269468883 276377407 /nfs/dbraw/zinc/37/74/07/276377407.db2.gz ILVNMBIWUOUDBK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188018 280210986 /nfs/dbraw/zinc/21/09/86/280210986.db2.gz FXFZWVBSSBXKJX-UKRRQHHQSA-N 1 1 321.377 1.819 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427968838 300224161 /nfs/dbraw/zinc/22/41/61/300224161.db2.gz VHDAEBSRGVCDHV-SMDDNHRTSA-N 1 1 319.361 1.514 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435551 300396730 /nfs/dbraw/zinc/39/67/30/300396730.db2.gz SPKBFIKBSMPKSJ-GXFFZTMASA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435551 300396732 /nfs/dbraw/zinc/39/67/32/300396732.db2.gz SPKBFIKBSMPKSJ-GXFFZTMASA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435553 300396785 /nfs/dbraw/zinc/39/67/85/300396785.db2.gz SPKBFIKBSMPKSJ-MFKMUULPSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435553 300396789 /nfs/dbraw/zinc/39/67/89/300396789.db2.gz SPKBFIKBSMPKSJ-MFKMUULPSA-N 1 1 305.334 1.379 20 5 DDBDMO O=C(N[C@@H]1CCC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000368710412 301079878 /nfs/dbraw/zinc/07/98/78/301079878.db2.gz SRQSHFRTRSNJLF-SECBINFHSA-N 1 1 303.322 1.343 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019112 301120142 /nfs/dbraw/zinc/12/01/42/301120142.db2.gz OATBYQUDBBHFCH-CMPLNLGQSA-N 1 1 307.354 1.095 20 5 DDBDMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019112 301120144 /nfs/dbraw/zinc/12/01/44/301120144.db2.gz OATBYQUDBBHFCH-CMPLNLGQSA-N 1 1 307.354 1.095 20 5 DDBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000369027629 301121306 /nfs/dbraw/zinc/12/13/06/301121306.db2.gz PSHMFEFJUPZKPX-AWEZNQCLSA-N 1 1 319.409 1.454 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000370055777 301268049 /nfs/dbraw/zinc/26/80/49/301268049.db2.gz MYYFBSUGLAEDII-LBPRGKRZSA-N 1 1 323.397 1.013 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000370069193 301270079 /nfs/dbraw/zinc/27/00/79/301270079.db2.gz FLFQBASZFWSCDH-NSHDSACASA-N 1 1 307.350 1.288 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000377468632 302182110 /nfs/dbraw/zinc/18/21/10/302182110.db2.gz CIDNPQDIYJATOW-KBPBESRZSA-N 1 1 305.334 1.188 20 5 DDBDMO Cc1cccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377481538 302183759 /nfs/dbraw/zinc/18/37/59/302183759.db2.gz LZKAHZGMXOUWRT-OLZOCXBDSA-N 1 1 319.361 1.496 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651842 302203923 /nfs/dbraw/zinc/20/39/23/302203923.db2.gz KGAWZKZZVPQTKD-CVEARBPZSA-N 1 1 308.378 1.969 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000378398044 302321639 /nfs/dbraw/zinc/32/16/39/302321639.db2.gz GSEGRGPORSGCQA-OAHLLOKOSA-N 1 1 321.377 1.380 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000357054266 306868479 /nfs/dbraw/zinc/86/84/79/306868479.db2.gz LFPRLYCTGXKVTK-UHFFFAOYSA-N 1 1 318.337 1.055 20 5 DDBDMO C[C@H]1C[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441815 303245508 /nfs/dbraw/zinc/24/55/08/303245508.db2.gz CWYXEIQKQVCLPK-UHIISALHSA-N 1 1 317.345 1.815 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362644507 307023422 /nfs/dbraw/zinc/02/34/22/307023422.db2.gz RXULOAZCXQIHFN-GXFFZTMASA-N 1 1 307.350 1.417 20 5 DDBDMO CC(=O)c1cc(N2CCC[N@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000367449999 307093979 /nfs/dbraw/zinc/09/39/79/307093979.db2.gz GEAGKCHGIABNAW-GFCCVEGCSA-N 1 1 321.377 1.690 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000373142414 307180454 /nfs/dbraw/zinc/18/04/54/307180454.db2.gz TWHLPVPDYYFKIS-KBPBESRZSA-N 1 1 308.382 1.930 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373938680 307198140 /nfs/dbraw/zinc/19/81/40/307198140.db2.gz OGZYIQHHQBBERN-CHWSQXEVSA-N 1 1 319.361 1.717 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000374490963 307209083 /nfs/dbraw/zinc/20/90/83/307209083.db2.gz XWLYQRBPCMUFOL-WDEREUQCSA-N 1 1 312.395 1.477 20 5 DDBDMO Cc1ncccc1O[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375976403 307237324 /nfs/dbraw/zinc/23/73/24/307237324.db2.gz PAMCZJSOBSAGQH-AWEZNQCLSA-N 1 1 317.349 1.648 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000510171486 307398939 /nfs/dbraw/zinc/39/89/39/307398939.db2.gz ZMWXZBODZKNBCN-OKILXGFUSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000510171486 307398941 /nfs/dbraw/zinc/39/89/41/307398941.db2.gz ZMWXZBODZKNBCN-OKILXGFUSA-N 1 1 307.350 1.667 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000548006337 307752125 /nfs/dbraw/zinc/75/21/25/307752125.db2.gz DVPJAHYPMCAGQA-NSHDSACASA-N 1 1 314.349 1.912 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000567302118 308077323 /nfs/dbraw/zinc/07/73/23/308077323.db2.gz CMERLAUOJYZDDP-NSHDSACASA-N 1 1 309.370 1.573 20 5 DDBDMO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000567302118 308077325 /nfs/dbraw/zinc/07/73/25/308077325.db2.gz CMERLAUOJYZDDP-NSHDSACASA-N 1 1 309.370 1.573 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000567302118 308077326 /nfs/dbraw/zinc/07/73/26/308077326.db2.gz CMERLAUOJYZDDP-NSHDSACASA-N 1 1 309.370 1.573 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000572932666 308226415 /nfs/dbraw/zinc/22/64/15/308226415.db2.gz LSULSESLIOACHR-SMDDNHRTSA-N 1 1 304.350 1.413 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000576457295 308315601 /nfs/dbraw/zinc/31/56/01/308315601.db2.gz FHXKRLNJTUVTPD-VIFPVBQESA-N 1 1 315.276 1.283 20 5 DDBDMO CC1(C)C[NH+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000577885789 308421962 /nfs/dbraw/zinc/42/19/62/308421962.db2.gz UZIANBKMVSQGEU-UHFFFAOYSA-N 1 1 321.381 1.297 20 5 DDBDMO CC1(C)C[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000583389920 332381127 /nfs/dbraw/zinc/38/11/27/332381127.db2.gz ACRFCYWTEHVVTM-UHFFFAOYSA-N 1 1 303.362 1.821 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000582713095 337123943 /nfs/dbraw/zinc/12/39/43/337123943.db2.gz ZOVHOCBLZKMOFV-AWEZNQCLSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000582713095 337123944 /nfs/dbraw/zinc/12/39/44/337123944.db2.gz ZOVHOCBLZKMOFV-AWEZNQCLSA-N 1 1 314.345 1.664 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000488809133 484220367 /nfs/dbraw/zinc/22/03/67/484220367.db2.gz SXAZSOFZCYXMOS-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072365 534298414 /nfs/dbraw/zinc/29/84/14/534298414.db2.gz WOWDKWGVMPHBNU-IJLUTSLNSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072365 534298416 /nfs/dbraw/zinc/29/84/16/534298416.db2.gz WOWDKWGVMPHBNU-IJLUTSLNSA-N 1 1 307.350 1.625 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292587734 534481159 /nfs/dbraw/zinc/48/11/59/534481159.db2.gz CSOCDEPWPDQTHH-AWEZNQCLSA-N 1 1 319.361 1.573 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000412880632 528612809 /nfs/dbraw/zinc/61/28/09/528612809.db2.gz RMMQGIFZQGCBDS-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821241151 606731177 /nfs/dbraw/zinc/73/11/77/606731177.db2.gz KGNQDKJJBORQJO-SKDRFNHKSA-N 1 1 317.353 1.527 20 5 DDBDMO C[N@@H+]1CC=C(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000826021643 608587308 /nfs/dbraw/zinc/58/73/08/608587308.db2.gz BLKWAIAVEIBNGM-UHFFFAOYSA-N 1 1 315.337 1.449 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108327192 696633426 /nfs/dbraw/zinc/63/34/26/696633426.db2.gz FVNOKZRDCBOYIB-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000749388545 700160898 /nfs/dbraw/zinc/16/08/98/700160898.db2.gz ZJAHZXWXDHPHCQ-GFCCVEGCSA-N 1 1 318.377 1.794 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781666838 698638173 /nfs/dbraw/zinc/63/81/73/698638173.db2.gz WZZYXWPSZPSSDE-SNVBAGLBSA-N 1 1 308.338 1.603 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729987785 699496911 /nfs/dbraw/zinc/49/69/11/699496911.db2.gz ROEIRYFZLVWMFL-GFCCVEGCSA-N 1 1 319.365 1.765 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865491 699719608 /nfs/dbraw/zinc/71/96/08/699719608.db2.gz CALJQEVQJMMQGM-MWLCHTKSSA-N 1 1 322.321 1.589 20 5 DDBDMO CO[C@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000795752751 699889743 /nfs/dbraw/zinc/88/97/43/699889743.db2.gz VRJQWMBOZHMWOI-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000795752751 699889746 /nfs/dbraw/zinc/88/97/46/699889746.db2.gz VRJQWMBOZHMWOI-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO C[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000744170779 699938778 /nfs/dbraw/zinc/93/87/78/699938778.db2.gz KEROYLXDTMWPDP-UHFFFAOYSA-N 1 1 312.757 1.434 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000752743943 700384259 /nfs/dbraw/zinc/38/42/59/700384259.db2.gz BSYDWPQUQNCJIN-CYBMUJFWSA-N 1 1 321.377 1.803 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000757035755 700653321 /nfs/dbraw/zinc/65/33/21/700653321.db2.gz UWIAGKVHZKLKTI-ZDUSSCGKSA-N 1 1 318.377 1.757 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000757914356 700676111 /nfs/dbraw/zinc/67/61/11/700676111.db2.gz ZLCBGAKLKHUDQC-UHFFFAOYSA-N 1 1 318.337 1.322 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332463 700699267 /nfs/dbraw/zinc/69/92/67/700699267.db2.gz BJFDNSBOFSVNLQ-TVQRCGJNSA-N 1 1 307.325 1.946 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000769145164 701234463 /nfs/dbraw/zinc/23/44/63/701234463.db2.gz MHXOFCYHURQUEJ-VXGBXAGGSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000769145164 701234465 /nfs/dbraw/zinc/23/44/65/701234465.db2.gz MHXOFCYHURQUEJ-VXGBXAGGSA-N 1 1 320.393 1.825 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000807967120 701492422 /nfs/dbraw/zinc/49/24/22/701492422.db2.gz NPBHWMOWSOKHGF-LBPRGKRZSA-N 1 1 320.393 1.845 20 5 DDBDMO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839718023 701795847 /nfs/dbraw/zinc/79/58/47/701795847.db2.gz XFZMZKIVFKXKCJ-ZIAGYGMSSA-N 1 1 307.350 1.621 20 5 DDBDMO CCN(C[C@H]1CCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867970194 701862555 /nfs/dbraw/zinc/86/25/55/701862555.db2.gz YRBNEPMMHNJUEQ-ZBFHGGJFSA-N 1 1 321.377 1.796 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000867982196 701871767 /nfs/dbraw/zinc/87/17/67/701871767.db2.gz LXRYOIAYZOPOAF-DJSGYFEHSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984240 701873877 /nfs/dbraw/zinc/87/38/77/701873877.db2.gz VRRUOGLSPADKJQ-NTZNESFSSA-N 1 1 311.288 1.492 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840094478 701966294 /nfs/dbraw/zinc/96/62/94/701966294.db2.gz UMOJYMTZSIKBAX-CYBMUJFWSA-N 1 1 303.366 1.928 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840094779 701966466 /nfs/dbraw/zinc/96/64/66/701966466.db2.gz WZONBSPLDVPLMN-CYBMUJFWSA-N 1 1 303.366 1.928 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000811783771 702058286 /nfs/dbraw/zinc/05/82/86/702058286.db2.gz JNFXRUNLBUULPB-CQSZACIVSA-N 1 1 313.361 1.886 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000811783771 702058292 /nfs/dbraw/zinc/05/82/92/702058292.db2.gz JNFXRUNLBUULPB-CQSZACIVSA-N 1 1 313.361 1.886 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000866208679 706649152 /nfs/dbraw/zinc/64/91/52/706649152.db2.gz KJNKXKOGPUMAFU-ZWNOBZJWSA-N 1 1 304.350 1.224 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233081 702397120 /nfs/dbraw/zinc/39/71/20/702397120.db2.gz KNTGFAAIBACCGA-UHFFFAOYSA-N 1 1 308.672 1.964 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845733416 703195121 /nfs/dbraw/zinc/19/51/21/703195121.db2.gz ALPHFQVZBXTRCS-LBPRGKRZSA-N 1 1 324.381 1.906 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485942 703556035 /nfs/dbraw/zinc/55/60/35/703556035.db2.gz BEDOXGMMEVRBFL-SWLSCSKDSA-N 1 1 321.377 1.835 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485942 703556037 /nfs/dbraw/zinc/55/60/37/703556037.db2.gz BEDOXGMMEVRBFL-SWLSCSKDSA-N 1 1 321.377 1.835 20 5 DDBDMO CC1(C)OC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851715514 703835797 /nfs/dbraw/zinc/83/57/97/703835797.db2.gz WXXSQVUWFMOXIT-OAHLLOKOSA-N 1 1 321.377 1.868 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852313495 704007058 /nfs/dbraw/zinc/00/70/58/704007058.db2.gz IHIBQZHFUCGHFS-SWLSCSKDSA-N 1 1 317.349 1.242 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852463944 704054604 /nfs/dbraw/zinc/05/46/04/704054604.db2.gz ZIWGZGSJUJXOCD-OAGGEKHMSA-N 1 1 306.362 1.987 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000819040287 704057344 /nfs/dbraw/zinc/05/73/44/704057344.db2.gz ZAQDOKWNMAOFQM-GOEBONIOSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000819040287 704057349 /nfs/dbraw/zinc/05/73/49/704057349.db2.gz ZAQDOKWNMAOFQM-GOEBONIOSA-N 1 1 305.378 1.702 20 5 DDBDMO COC(=O)NC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000852770597 704120249 /nfs/dbraw/zinc/12/02/49/704120249.db2.gz UTDGNTJSCITHGW-UHFFFAOYSA-N 1 1 323.349 1.924 20 5 DDBDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000870786396 704132036 /nfs/dbraw/zinc/13/20/36/704132036.db2.gz WHMOJTVPMRIXPL-MNOVXSKESA-N 1 1 310.354 1.748 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819899969 704183911 /nfs/dbraw/zinc/18/39/11/704183911.db2.gz XHNWPXRVCYZIKE-JTQLQIEISA-N 1 1 308.338 1.084 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000853774598 704314234 /nfs/dbraw/zinc/31/42/34/704314234.db2.gz UXCNSXFTPUHHKV-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000853774598 704314236 /nfs/dbraw/zinc/31/42/36/704314236.db2.gz UXCNSXFTPUHHKV-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CO1 ZINC000853798686 704317059 /nfs/dbraw/zinc/31/70/59/704317059.db2.gz HOOZZDBGQIBENK-UWVGGRQHSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CO1 ZINC000853798686 704317062 /nfs/dbraw/zinc/31/70/62/704317062.db2.gz HOOZZDBGQIBENK-UWVGGRQHSA-N 1 1 321.337 1.652 20 5 DDBDMO Cc1noc(COC(=O)C[N@@H+](C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000853908123 704333555 /nfs/dbraw/zinc/33/35/55/704333555.db2.gz VQGXAPRBAIWVQL-VIFPVBQESA-N 1 1 315.351 1.372 20 5 DDBDMO Cc1noc(COC(=O)C[N@H+](C)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000853908123 704333558 /nfs/dbraw/zinc/33/35/58/704333558.db2.gz VQGXAPRBAIWVQL-VIFPVBQESA-N 1 1 315.351 1.372 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000854739262 704446356 /nfs/dbraw/zinc/44/63/56/704446356.db2.gz SGIYKZOOFZDKNG-HNNXBMFYSA-N 1 1 319.365 1.130 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424635 706969868 /nfs/dbraw/zinc/96/98/68/706969868.db2.gz JQTHRXHCUKVXBF-CABCVRRESA-N 1 1 310.350 1.709 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859556021 704936406 /nfs/dbraw/zinc/93/64/06/704936406.db2.gz CDFJCNQGZRAOPV-AWEZNQCLSA-N 1 1 312.297 1.498 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859556021 704936407 /nfs/dbraw/zinc/93/64/07/704936407.db2.gz CDFJCNQGZRAOPV-AWEZNQCLSA-N 1 1 312.297 1.498 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c[nH+]cc1C ZINC000859950698 705052626 /nfs/dbraw/zinc/05/26/26/705052626.db2.gz GNCOYTKBQFWOSZ-UHFFFAOYSA-N 1 1 305.290 1.852 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000823100738 705139786 /nfs/dbraw/zinc/13/97/86/705139786.db2.gz IHNCATLRNQNNMQ-OCCSQVGLSA-N 1 1 303.362 1.988 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000874827014 705185559 /nfs/dbraw/zinc/18/55/59/705185559.db2.gz AGNBGIWHFWJHRN-GHMZBOCLSA-N 1 1 307.354 1.120 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000860506686 705207324 /nfs/dbraw/zinc/20/73/24/705207324.db2.gz HVOVNMPGIBRAEB-UHFFFAOYSA-N 1 1 318.333 1.779 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823591361 705274751 /nfs/dbraw/zinc/27/47/51/705274751.db2.gz KCFFYQAMIVCNTG-HNNXBMFYSA-N 1 1 304.350 1.631 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378903 705658104 /nfs/dbraw/zinc/65/81/04/705658104.db2.gz IXCDWRQYSZWIDU-FZMZJTMJSA-N 1 1 307.350 1.086 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826128929 705775476 /nfs/dbraw/zinc/77/54/76/705775476.db2.gz WOJMARZIEYJPRE-LSDHHAIUSA-N 1 1 321.377 1.427 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCN3CCOCC3)C2)c1 ZINC000876935328 705929935 /nfs/dbraw/zinc/92/99/35/705929935.db2.gz BGTYZUFBYXKZST-UHFFFAOYSA-N 1 1 323.397 1.197 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000827216573 705952144 /nfs/dbraw/zinc/95/21/44/705952144.db2.gz ASGRMCVTMMEIEB-CMPLNLGQSA-N 1 1 307.325 1.900 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366708 705986500 /nfs/dbraw/zinc/98/65/00/705986500.db2.gz OHOYIEYVMKANON-GXTWGEPZSA-N 1 1 318.377 1.803 20 5 DDBDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000877713922 706185591 /nfs/dbraw/zinc/18/55/91/706185591.db2.gz IUTWEJJGPKWZGY-HNNXBMFYSA-N 1 1 319.317 1.489 20 5 DDBDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000877713922 706185596 /nfs/dbraw/zinc/18/55/96/706185596.db2.gz IUTWEJJGPKWZGY-HNNXBMFYSA-N 1 1 319.317 1.489 20 5 DDBDMO CN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2C1=O ZINC000877720550 706188949 /nfs/dbraw/zinc/18/89/49/706188949.db2.gz RTXNZVOGCNAVAL-AOOOYVTPSA-N 1 1 323.736 1.295 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2C1=O ZINC000877720550 706188952 /nfs/dbraw/zinc/18/89/52/706188952.db2.gz RTXNZVOGCNAVAL-AOOOYVTPSA-N 1 1 323.736 1.295 20 5 DDBDMO C[N@H+]1CC[C@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875789 706230659 /nfs/dbraw/zinc/23/06/59/706230659.db2.gz RQLYKLFSRBTRLW-WFASDCNBSA-N 1 1 318.333 1.066 20 5 DDBDMO C[C@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000865142270 706362167 /nfs/dbraw/zinc/36/21/67/706362167.db2.gz CFFKXGGMNIFBOU-SNVBAGLBSA-N 1 1 309.341 1.875 20 5 DDBDMO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000865705724 706501118 /nfs/dbraw/zinc/50/11/18/706501118.db2.gz YNFGCBUMJWUILA-HNNXBMFYSA-N 1 1 304.350 1.634 20 5 DDBDMO COc1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000865999058 706589956 /nfs/dbraw/zinc/58/99/56/706589956.db2.gz XEHBKIWRKFPXIK-LBPRGKRZSA-N 1 1 309.366 1.861 20 5 DDBDMO C[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001598 706850287 /nfs/dbraw/zinc/85/02/87/706850287.db2.gz RCJQICRFJDBYKI-QWRGUYRKSA-N 1 1 322.287 1.427 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000880170802 706900175 /nfs/dbraw/zinc/90/01/75/706900175.db2.gz WPHLEEPFKUIBJU-UHFFFAOYSA-N 1 1 303.362 1.882 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778801 707596943 /nfs/dbraw/zinc/59/69/43/707596943.db2.gz BWLWHGHHTQWBSK-NEPJUHHUSA-N 1 1 304.350 1.367 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000882700810 707752915 /nfs/dbraw/zinc/75/29/15/707752915.db2.gz XIIUOQWWMXYUHW-UHFFFAOYSA-N 1 1 323.372 1.345 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000838149913 707854846 /nfs/dbraw/zinc/85/48/46/707854846.db2.gz QVFGMSBKQPIDNR-IUODEOHRSA-N 1 1 321.377 1.476 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000896912411 708180598 /nfs/dbraw/zinc/18/05/98/708180598.db2.gz WYBDZPRFUUINGZ-ZUZCIYMTSA-N 1 1 320.349 1.164 20 5 DDBDMO COC(=O)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886026977 708683802 /nfs/dbraw/zinc/68/38/02/708683802.db2.gz AJDQADSCZZMNJY-UHFFFAOYSA-N 1 1 323.349 1.534 20 5 DDBDMO C[C@@](O)(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067223 708691536 /nfs/dbraw/zinc/69/15/36/708691536.db2.gz IPYOMZYTXVUBMZ-NOZJJQNGSA-N 1 1 316.308 1.492 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000886319782 708741934 /nfs/dbraw/zinc/74/19/34/708741934.db2.gz OYSOHBICXLZFGC-CYBMUJFWSA-N 1 1 307.350 1.353 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000886319782 708741935 /nfs/dbraw/zinc/74/19/35/708741935.db2.gz OYSOHBICXLZFGC-CYBMUJFWSA-N 1 1 307.350 1.353 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886823107 708854184 /nfs/dbraw/zinc/85/41/84/708854184.db2.gz ZAIWXAMQLVNYLE-TZMCWYRMSA-N 1 1 307.350 1.257 20 5 DDBDMO C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328962 710011496 /nfs/dbraw/zinc/01/14/96/710011496.db2.gz JVNSWJRBOHIIPU-BLLLJJGKSA-N 1 1 321.377 1.619 20 5 DDBDMO Cc1cccc(C[NH+]2CCN(c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000891531638 710228558 /nfs/dbraw/zinc/22/85/58/710228558.db2.gz NRGHFHRQFDMRGP-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000928459938 713206187 /nfs/dbraw/zinc/20/61/87/713206187.db2.gz YJMPGQZVGIOOKA-CHWSQXEVSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928554502 713224366 /nfs/dbraw/zinc/22/43/66/713224366.db2.gz PYIKICOAXGGALX-GFCCVEGCSA-N 1 1 307.350 1.816 20 5 DDBDMO CC(C)Oc1cc(C(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928554502 713224367 /nfs/dbraw/zinc/22/43/67/713224367.db2.gz PYIKICOAXGGALX-GFCCVEGCSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1c(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000894395850 711102252 /nfs/dbraw/zinc/10/22/52/711102252.db2.gz BZEASVCPSMRHBF-UKRRQHHQSA-N 1 1 318.377 1.749 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895734807 711590304 /nfs/dbraw/zinc/59/03/04/711590304.db2.gz AUPOKUSTSAFVKI-ONGXEEELSA-N 1 1 308.338 1.589 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000914291383 713371593 /nfs/dbraw/zinc/37/15/93/713371593.db2.gz KLOWPDUCTVUHPU-GFCCVEGCSA-N 1 1 308.338 1.107 20 5 DDBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932438783 714331114 /nfs/dbraw/zinc/33/11/14/714331114.db2.gz UMVWROSVRIQQCO-NSHDSACASA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932438783 714331112 /nfs/dbraw/zinc/33/11/12/714331112.db2.gz UMVWROSVRIQQCO-NSHDSACASA-N 1 1 309.370 1.170 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932892606 714431957 /nfs/dbraw/zinc/43/19/57/714431957.db2.gz GLWLVFRKILCELN-FVQBIDKESA-N 1 1 320.393 1.663 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000932931313 714439611 /nfs/dbraw/zinc/43/96/11/714439611.db2.gz JEPAIVGZQYWWOF-UHFFFAOYSA-N 1 1 305.334 1.456 20 5 DDBDMO NC(=O)C12CCC(CC1)[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000932931313 714439613 /nfs/dbraw/zinc/43/96/13/714439613.db2.gz JEPAIVGZQYWWOF-UHFFFAOYSA-N 1 1 305.334 1.456 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933225923 714541956 /nfs/dbraw/zinc/54/19/56/714541956.db2.gz FNCZLEIUFYIGBJ-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000933749555 714663012 /nfs/dbraw/zinc/66/30/12/714663012.db2.gz CVESGJXRRMRUII-NHYWBVRUSA-N 1 1 307.325 1.821 20 5 DDBDMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923257 721849175 /nfs/dbraw/zinc/84/91/75/721849175.db2.gz UPJXCWCOVAEYTF-HUUCEWRRSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923257 721849176 /nfs/dbraw/zinc/84/91/76/721849176.db2.gz UPJXCWCOVAEYTF-HUUCEWRRSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1c(C)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165038244 721911457 /nfs/dbraw/zinc/91/14/57/721911457.db2.gz MLUBVLGUZPJVHN-AWEZNQCLSA-N 1 1 320.393 1.908 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC001120921980 782237180 /nfs/dbraw/zinc/23/71/80/782237180.db2.gz FZYWWZUJUTUFHW-AXFHLTTASA-N 1 1 302.338 1.390 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2[nH+]ccn2CC1 ZINC001167178176 732806222 /nfs/dbraw/zinc/80/62/22/732806222.db2.gz KSMHQCMZQVWQNG-UHFFFAOYSA-N 1 1 317.305 1.036 20 5 DDBDMO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cnc(C[NH3+])cc1=N ZINC001167359200 733291720 /nfs/dbraw/zinc/29/17/20/733291720.db2.gz LFXFIRHRBHZGCZ-UHFFFAOYSA-N 1 1 323.740 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001121197462 782403941 /nfs/dbraw/zinc/40/39/41/782403941.db2.gz ASSVUBAEDOONDS-LEWSCRJBSA-N 1 1 319.361 1.673 20 5 DDBDMO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022063574 734368194 /nfs/dbraw/zinc/36/81/94/734368194.db2.gz DRJFMGCLRCNGMC-QKPAOTATSA-N 1 1 317.389 1.651 20 5 DDBDMO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064158 734369130 /nfs/dbraw/zinc/36/91/30/734369130.db2.gz YTOATNKYRIBZPS-LXTVHRRPSA-N 1 1 303.362 1.397 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001105441974 741696568 /nfs/dbraw/zinc/69/65/68/741696568.db2.gz TXPFVWMUXDSAQB-UHFFFAOYSA-N 1 1 323.397 1.226 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(NC2C[NH+](C(C)C)C2)cc1OC ZINC001168314359 742180795 /nfs/dbraw/zinc/18/07/95/742180795.db2.gz MFCVYADALNQRCU-UHFFFAOYSA-N 1 1 323.349 1.895 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC001183611606 743860994 /nfs/dbraw/zinc/86/09/94/743860994.db2.gz LGADBJNWEDIHCS-JTQLQIEISA-N 1 1 321.381 1.193 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645325 750627742 /nfs/dbraw/zinc/62/77/42/750627742.db2.gz SNTJZWIRFGBOFA-AAVRWANBSA-N 1 1 323.418 1.930 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674178 762078657 /nfs/dbraw/zinc/07/86/57/762078657.db2.gz MGLGXEGENANQSV-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO O=C(NCC1=CC[N@H+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674178 762078664 /nfs/dbraw/zinc/07/86/64/762078664.db2.gz MGLGXEGENANQSV-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674178 762078674 /nfs/dbraw/zinc/07/86/74/762078674.db2.gz MGLGXEGENANQSV-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO CCOCc1nnn2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024847 762202016 /nfs/dbraw/zinc/20/20/16/762202016.db2.gz RNRAIWWWUDDCGA-QWHCGFSZSA-N 1 1 323.397 1.466 20 5 DDBDMO CCOC[C@H]1Cn2nccc2C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169025782 762203603 /nfs/dbraw/zinc/20/36/03/762203603.db2.gz UWQQZUWGWUMIDE-RBSFLKMASA-N 1 1 322.409 1.797 20 5 DDBDMO Cc1cncnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053208 762207692 /nfs/dbraw/zinc/20/76/92/762207692.db2.gz IEJSUKLVBVTMAX-MELADBBJSA-N 1 1 306.366 1.684 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000828588417 759684263 /nfs/dbraw/zinc/68/42/63/759684263.db2.gz AWBGDIYUZNZRTG-HZSPNIEDSA-N 1 1 321.377 1.113 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139165 760613060 /nfs/dbraw/zinc/61/30/60/760613060.db2.gz UOBVKRAVOMEHDP-DDHJBXDOSA-N 1 1 324.768 1.137 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139335 760613651 /nfs/dbraw/zinc/61/36/51/760613651.db2.gz YFFFSJWZLSEVGQ-KBUPBQIOSA-N 1 1 321.352 1.558 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001086363530 761492898 /nfs/dbraw/zinc/49/28/98/761492898.db2.gz ZOZKVARHBUEGAT-KLHDSHLOSA-N 1 1 317.389 1.645 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100128005 763164281 /nfs/dbraw/zinc/16/42/81/763164281.db2.gz XEPBMURFTVMGKJ-UHFFFAOYSA-N 1 1 317.349 1.352 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334312 766256926 /nfs/dbraw/zinc/25/69/26/766256926.db2.gz CAJBUYDAPHSDCN-NORZTCDRSA-N 1 1 324.377 1.210 20 5 DDBDMO COc1nc(NCC[C@H]2CCC[N@H+]2C)nc(OC)c1[N+](=O)[O-] ZINC001160964852 772882065 /nfs/dbraw/zinc/88/20/65/772882065.db2.gz RMNTZYDIQGFIKD-SECBINFHSA-N 1 1 311.342 1.298 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094573748 776048330 /nfs/dbraw/zinc/04/83/30/776048330.db2.gz GBVQXXNGMZHGGK-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094667470 776149885 /nfs/dbraw/zinc/14/98/85/776149885.db2.gz RTXHKUGXCXLJMV-UHFFFAOYSA-N 1 1 317.349 1.718 20 5 DDBDMO NC(=O)[C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914845 776928933 /nfs/dbraw/zinc/92/89/33/776928933.db2.gz KJMHWUHIHLIMFU-KGLIPLIRSA-N 1 1 303.362 1.649 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001173227389 777062547 /nfs/dbraw/zinc/06/25/47/777062547.db2.gz OCRIOMMJHBTCIP-KYOSRNDESA-N 1 1 303.362 1.546 20 5 DDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC001116288534 780492879 /nfs/dbraw/zinc/49/28/79/780492879.db2.gz HGPFXGHAPQEFFN-NSHDSACASA-N 1 1 304.354 1.521 20 5 DDBDMO O=C(NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)F ZINC001266579495 836492042 /nfs/dbraw/zinc/49/20/42/836492042.db2.gz QQVZKXICSRXOFW-UHFFFAOYSA-N 1 1 313.304 1.941 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC001072725869 857641921 /nfs/dbraw/zinc/64/19/21/857641921.db2.gz UQTVECWJSIUILS-CHWSQXEVSA-N 1 1 321.402 1.448 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC001072725869 857641928 /nfs/dbraw/zinc/64/19/28/857641928.db2.gz UQTVECWJSIUILS-CHWSQXEVSA-N 1 1 321.402 1.448 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC001072725869 857641930 /nfs/dbraw/zinc/64/19/30/857641930.db2.gz UQTVECWJSIUILS-CHWSQXEVSA-N 1 1 321.402 1.448 20 5 DDBDMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)C[N@H+]2C1 ZINC001123668794 859353089 /nfs/dbraw/zinc/35/30/89/859353089.db2.gz HIGHYNGCOLJXKA-AGIUHOORSA-N 1 1 321.381 1.028 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCC[NH+]1CCOCC1)C2 ZINC001224864250 881563736 /nfs/dbraw/zinc/56/37/36/881563736.db2.gz GDZNPDNJIZQHGG-MRXNPFEDSA-N 1 1 306.362 1.801 20 5 DDBDMO Cc1nc(C(C)C)oc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767771 864118143 /nfs/dbraw/zinc/11/81/43/864118143.db2.gz TWZDKTJDKVGVAH-VXGBXAGGSA-N 1 1 324.381 1.368 20 5 DDBDMO CCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157767883 864118774 /nfs/dbraw/zinc/11/87/74/864118774.db2.gz ZVCHFHYXSLRUCG-HUUCEWRRSA-N 1 1 305.378 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4CC[C@@H]4C3)nn2)cc1 ZINC001158434473 864653171 /nfs/dbraw/zinc/65/31/71/864653171.db2.gz SEEWGLKXFFYOCB-CQSZACIVSA-N 1 1 311.345 1.946 20 5 DDBDMO CC(=O)N[C@H]1C[C@H](Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001159509898 865366541 /nfs/dbraw/zinc/36/65/41/865366541.db2.gz CNFCKTALNGFSRZ-SOICHRRHSA-N 1 1 319.365 1.601 20 5 DDBDMO Cc1nc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160721461 866064722 /nfs/dbraw/zinc/06/47/22/866064722.db2.gz YUSPWAUVMWAWBT-GXTWGEPZSA-N 1 1 306.366 1.963 20 5 DDBDMO COc1ncnc(NCC[NH+]2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001160748816 866095858 /nfs/dbraw/zinc/09/58/58/866095858.db2.gz AVOLPLKTHSRZOW-UHFFFAOYSA-N 1 1 317.296 1.536 20 5 DDBDMO C[C@@H]1CC[C@@H](O)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164123912 868955878 /nfs/dbraw/zinc/95/58/78/868955878.db2.gz PTDXNRIZXXNJFR-BKVNPXPRSA-N 1 1 306.366 1.872 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762924 869129020 /nfs/dbraw/zinc/12/90/20/869129020.db2.gz JQZIEUZWERRKAH-CZUORRHYSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762924 869129029 /nfs/dbraw/zinc/12/90/29/869129029.db2.gz JQZIEUZWERRKAH-CZUORRHYSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762924 869129034 /nfs/dbraw/zinc/12/90/34/869129034.db2.gz JQZIEUZWERRKAH-CZUORRHYSA-N 1 1 307.394 1.948 20 5 DDBDMO COC[C@@H](O)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001203993880 870874700 /nfs/dbraw/zinc/87/47/00/870874700.db2.gz NSUQUSXMJMQFMR-QMMMGPOBSA-N 1 1 319.155 1.454 20 5 DDBDMO CS[C@H]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451829 872636203 /nfs/dbraw/zinc/63/62/03/872636203.db2.gz QQCUGUIIBJOVSI-AAEUAGOBSA-N 1 1 311.407 1.972 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001348998646 874915296 /nfs/dbraw/zinc/91/52/96/874915296.db2.gz MLTKTYAHMOTCFZ-NWDGAFQWSA-N 1 1 322.340 1.625 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001351177298 876100561 /nfs/dbraw/zinc/10/05/61/876100561.db2.gz PIRHQYMHAUDIHI-NEPJUHHUSA-N 1 1 323.397 1.479 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001352968522 877045853 /nfs/dbraw/zinc/04/58/53/877045853.db2.gz FUUSLODMHSUCAA-SNVBAGLBSA-N 1 1 307.354 1.407 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nnc(CCC[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001355391971 878532919 /nfs/dbraw/zinc/53/29/19/878532919.db2.gz NSEGMRIUYCCROB-STQMWFEESA-N 1 1 324.429 1.191 20 5 DDBDMO O=C(NCC1CC[NH+](CCCCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001223114749 880837627 /nfs/dbraw/zinc/83/76/27/880837627.db2.gz RDAHJCASNXRGED-ZIAGYGMSSA-N 1 1 315.389 1.620 20 5 DDBDMO COC(=O)c1cnc(O[C@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001233865898 887402746 /nfs/dbraw/zinc/40/27/46/887402746.db2.gz KNANBPXEJSTSDH-JTQLQIEISA-N 1 1 318.289 1.367 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC001234910139 888245894 /nfs/dbraw/zinc/24/58/94/888245894.db2.gz MOLWHZHOCWYXPE-LLVKDONJSA-N 1 1 323.353 1.513 20 5 DDBDMO CCOCCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001235585120 888775598 /nfs/dbraw/zinc/77/55/98/888775598.db2.gz VLLCOFXSIRUYFE-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554965 892693476 /nfs/dbraw/zinc/69/34/76/892693476.db2.gz AFPPLSKFIXMXIR-CZUORRHYSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554965 892693481 /nfs/dbraw/zinc/69/34/81/892693481.db2.gz AFPPLSKFIXMXIR-CZUORRHYSA-N 1 1 307.394 1.702 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246554965 892693483 /nfs/dbraw/zinc/69/34/83/892693483.db2.gz AFPPLSKFIXMXIR-CZUORRHYSA-N 1 1 307.394 1.702 20 5 DDBDMO NC[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466677 896453074 /nfs/dbraw/zinc/45/30/74/896453074.db2.gz LDPKDJWUIWZNSF-INIZCTEOSA-N 1 1 304.394 1.987 20 5 DDBDMO [NH3+]C[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466677 896453083 /nfs/dbraw/zinc/45/30/83/896453083.db2.gz LDPKDJWUIWZNSF-INIZCTEOSA-N 1 1 304.394 1.987 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CCOCC1 ZINC001254550468 896498741 /nfs/dbraw/zinc/49/87/41/896498741.db2.gz KFZFICYQZZJJRT-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CCOCC1 ZINC001254550468 896498746 /nfs/dbraw/zinc/49/87/46/896498746.db2.gz KFZFICYQZZJJRT-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[N@@H+](C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@@H]1CCOC1 ZINC001254604605 896528370 /nfs/dbraw/zinc/52/83/70/896528370.db2.gz WWFNXFGEJQDQEA-CVEARBPZSA-N 1 1 317.389 1.467 20 5 DDBDMO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+](C)C3)c2c1 ZINC001262060197 899922937 /nfs/dbraw/zinc/92/29/37/899922937.db2.gz SOHHWAXEUJMZKK-LLVKDONJSA-N 1 1 316.361 1.937 20 5 DDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000081903843 192337137 /nfs/dbraw/zinc/33/71/37/192337137.db2.gz HHIUBNGISPZBJS-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO O=C1NCCN1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550132 231124640 /nfs/dbraw/zinc/12/46/40/231124640.db2.gz REZBRCHPDDQYSC-AWEZNQCLSA-N 1 1 318.377 1.799 20 5 DDBDMO CN(C(=O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000451627401 231143667 /nfs/dbraw/zinc/14/36/67/231143667.db2.gz GYVJQBRLQYDGEY-SWLSCSKDSA-N 1 1 318.377 1.194 20 5 DDBDMO CC[C@]1(O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495231476 529442845 /nfs/dbraw/zinc/44/28/45/529442845.db2.gz IHZJWKJBYWNLAH-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000495231476 529442846 /nfs/dbraw/zinc/44/28/46/529442846.db2.gz IHZJWKJBYWNLAH-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1O ZINC000249590446 282179510 /nfs/dbraw/zinc/17/95/10/282179510.db2.gz VGJPRKOGAFGXNM-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@H]1O ZINC000249590446 282179512 /nfs/dbraw/zinc/17/95/12/282179512.db2.gz VGJPRKOGAFGXNM-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358133547 299085211 /nfs/dbraw/zinc/08/52/11/299085211.db2.gz ZCMQRIAYVSAWQJ-JTQLQIEISA-N 1 1 306.322 1.425 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000251499132 282201486 /nfs/dbraw/zinc/20/14/86/282201486.db2.gz BLJGYCRDLPDMAZ-CZUORRHYSA-N 1 1 324.377 1.571 20 5 DDBDMO CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614895369 362066288 /nfs/dbraw/zinc/06/62/88/362066288.db2.gz QTPGXGIEYIHWTR-UHFFFAOYSA-N 1 1 313.379 1.185 20 5 DDBDMO CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614895369 362066291 /nfs/dbraw/zinc/06/62/91/362066291.db2.gz QTPGXGIEYIHWTR-UHFFFAOYSA-N 1 1 313.379 1.185 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000181330230 199281899 /nfs/dbraw/zinc/28/18/99/199281899.db2.gz BSMGCJRITRTSTN-UHFFFAOYSA-N 1 1 308.338 1.773 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000090552772 185302980 /nfs/dbraw/zinc/30/29/80/185302980.db2.gz BWRJNKKFBHSNNV-OCCSQVGLSA-N 1 1 307.350 1.257 20 5 DDBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000305755594 529926386 /nfs/dbraw/zinc/92/63/86/529926386.db2.gz AOEXCNYHHUIRHZ-NSHDSACASA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000305755594 529926387 /nfs/dbraw/zinc/92/63/87/529926387.db2.gz AOEXCNYHHUIRHZ-NSHDSACASA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000305358542 529984586 /nfs/dbraw/zinc/98/45/86/529984586.db2.gz SOPUEKVHUQRGKX-OCCSQVGLSA-N 1 1 307.350 1.287 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000286744961 219142442 /nfs/dbraw/zinc/14/24/42/219142442.db2.gz NYDGFYQURNWLKX-AWEZNQCLSA-N 1 1 315.377 1.691 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649275 210055206 /nfs/dbraw/zinc/05/52/06/210055206.db2.gz ZAFAHVRAPVPCEE-DGCLKSJQSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649275 210055207 /nfs/dbraw/zinc/05/52/07/210055207.db2.gz ZAFAHVRAPVPCEE-DGCLKSJQSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000564644024 304005931 /nfs/dbraw/zinc/00/59/31/304005931.db2.gz KKLIKORSSRBBFK-AWEZNQCLSA-N 1 1 310.329 1.438 20 5 DDBDMO CCn1nncc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379216 233150346 /nfs/dbraw/zinc/15/03/46/233150346.db2.gz PCZCPSWMVDXILY-LLVKDONJSA-N 1 1 317.353 1.288 20 5 DDBDMO CCn1nncc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379216 233150355 /nfs/dbraw/zinc/15/03/55/233150355.db2.gz PCZCPSWMVDXILY-LLVKDONJSA-N 1 1 317.353 1.288 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000459586271 233339054 /nfs/dbraw/zinc/33/90/54/233339054.db2.gz KSKXHYZSZBKHHP-RBSFLKMASA-N 1 1 316.361 1.921 20 5 DDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000051149106 352579481 /nfs/dbraw/zinc/57/94/81/352579481.db2.gz PTMNLJASGQDTGW-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CCCC1 ZINC000051149106 352579483 /nfs/dbraw/zinc/57/94/83/352579483.db2.gz PTMNLJASGQDTGW-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CO)CC1 ZINC000052807718 352626636 /nfs/dbraw/zinc/62/66/36/352626636.db2.gz AZQZQVWGWVIWTK-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000054346925 352688191 /nfs/dbraw/zinc/68/81/91/352688191.db2.gz KKHRHEBXUSDUAU-KBMXLJTQSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000054346925 352688195 /nfs/dbraw/zinc/68/81/95/352688195.db2.gz KKHRHEBXUSDUAU-KBMXLJTQSA-N 1 1 322.361 1.588 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000057554929 352820488 /nfs/dbraw/zinc/82/04/88/352820488.db2.gz SHQJJIGJHCWEKY-JTQLQIEISA-N 1 1 305.334 1.570 20 5 DDBDMO C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057710410 352826325 /nfs/dbraw/zinc/82/63/25/352826325.db2.gz AVAGEZWSUPWORZ-NSHDSACASA-N 1 1 307.350 1.573 20 5 DDBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173405631 198210687 /nfs/dbraw/zinc/21/06/87/198210687.db2.gz LZAICLWYEAUXEV-LBPRGKRZSA-N 1 1 313.379 1.310 20 5 DDBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173405631 198210690 /nfs/dbraw/zinc/21/06/90/198210690.db2.gz LZAICLWYEAUXEV-LBPRGKRZSA-N 1 1 313.379 1.310 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174018224 198281700 /nfs/dbraw/zinc/28/17/00/198281700.db2.gz IVTKVJXYKVOFNZ-MRXNPFEDSA-N 1 1 305.378 1.891 20 5 DDBDMO CC[NH+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000078256281 353507161 /nfs/dbraw/zinc/50/71/61/353507161.db2.gz VWIUJMMZICLUSX-UHFFFAOYSA-N 1 1 324.337 1.446 20 5 DDBDMO CCOC(=O)C1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000081019646 353645779 /nfs/dbraw/zinc/64/57/79/353645779.db2.gz RMSIDMAVOHQOJR-UHFFFAOYSA-N 1 1 322.361 1.793 20 5 DDBDMO C[C@H](c1ccco1)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000086233759 353739648 /nfs/dbraw/zinc/73/96/48/353739648.db2.gz SLEXFAUXMWGPQQ-BXUZGUMPSA-N 1 1 320.349 1.971 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1 ZINC000090145882 353791298 /nfs/dbraw/zinc/79/12/98/353791298.db2.gz AFAWYIAPAJOWDX-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1 ZINC000090145882 353791299 /nfs/dbraw/zinc/79/12/99/353791299.db2.gz AFAWYIAPAJOWDX-OLZOCXBDSA-N 1 1 306.366 1.963 20 5 DDBDMO O=C1CCC(=O)N1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153246675 354197665 /nfs/dbraw/zinc/19/76/65/354197665.db2.gz GJXHCVVKMUPBRM-UHFFFAOYSA-N 1 1 317.345 1.708 20 5 DDBDMO COC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000166329784 354249827 /nfs/dbraw/zinc/24/98/27/354249827.db2.gz PYLAFEARMRAEEB-UHFFFAOYSA-N 1 1 307.350 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+](CCO)C2CCOCC2)cc1 ZINC000275443196 354412419 /nfs/dbraw/zinc/41/24/19/354412419.db2.gz AJGGMKYLVIPAEY-UHFFFAOYSA-N 1 1 324.377 1.837 20 5 DDBDMO COC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCC1 ZINC000316762848 354505443 /nfs/dbraw/zinc/50/54/43/354505443.db2.gz VRWGNVMNLWMZNP-UHFFFAOYSA-N 1 1 310.354 1.517 20 5 DDBDMO COC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCC1 ZINC000316762848 354505445 /nfs/dbraw/zinc/50/54/45/354505445.db2.gz VRWGNVMNLWMZNP-UHFFFAOYSA-N 1 1 310.354 1.517 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216127 283032845 /nfs/dbraw/zinc/03/28/45/283032845.db2.gz IAARIYJUMISKAV-COPLHBTASA-N 1 1 306.366 1.725 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588007204 354892688 /nfs/dbraw/zinc/89/26/88/354892688.db2.gz AGVPPVJVUPQJRR-JTQLQIEISA-N 1 1 317.349 1.397 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587528829 354883183 /nfs/dbraw/zinc/88/31/83/354883183.db2.gz ZFSVRVLCWOZBNM-LLVKDONJSA-N 1 1 308.382 1.812 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000589503313 354997754 /nfs/dbraw/zinc/99/77/54/354997754.db2.gz RFSQEXSHCSMIDI-INIZCTEOSA-N 1 1 320.345 1.994 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011103 355040222 /nfs/dbraw/zinc/04/02/22/355040222.db2.gz HUKWCDIBACTPPT-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011103 355040225 /nfs/dbraw/zinc/04/02/25/355040225.db2.gz HUKWCDIBACTPPT-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011103 355040227 /nfs/dbraw/zinc/04/02/27/355040227.db2.gz HUKWCDIBACTPPT-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402426 355085509 /nfs/dbraw/zinc/08/55/09/355085509.db2.gz UCFTWWSWWZLAFS-CABCVRRESA-N 1 1 319.361 1.530 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000590141907 355053138 /nfs/dbraw/zinc/05/31/38/355053138.db2.gz IKWCJWCYWIVQRG-INIZCTEOSA-N 1 1 320.393 1.591 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590442693 355096563 /nfs/dbraw/zinc/09/65/63/355096563.db2.gz ACHHCXYGGZBWPW-DGCLKSJQSA-N 1 1 305.334 1.380 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590443459 355097343 /nfs/dbraw/zinc/09/73/43/355097343.db2.gz KKVUJZJVTKDJAD-MFKMUULPSA-N 1 1 304.350 1.413 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000590445616 355098487 /nfs/dbraw/zinc/09/84/87/355098487.db2.gz QZZRWDQHDMEHRP-BXKDBHETSA-N 1 1 319.317 1.100 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196857 355532603 /nfs/dbraw/zinc/53/26/03/355532603.db2.gz ZBTSKBUMEQDYDC-JSGCOSHPSA-N 1 1 324.381 1.186 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594417356 356202999 /nfs/dbraw/zinc/20/29/99/356202999.db2.gz BZDBOQOBFZCBPD-GHMZBOCLSA-N 1 1 307.354 1.075 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000080796254 192192199 /nfs/dbraw/zinc/19/21/99/192192199.db2.gz CYMWYGMILNWELS-CYBMUJFWSA-N 1 1 322.365 1.515 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594846413 356335247 /nfs/dbraw/zinc/33/52/47/356335247.db2.gz ILNNXQZPBOOUAF-UHFFFAOYSA-N 1 1 313.379 1.085 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595446555 356495292 /nfs/dbraw/zinc/49/52/92/356495292.db2.gz MDDYBXVNNXUSEW-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595657640 356594889 /nfs/dbraw/zinc/59/48/89/356594889.db2.gz DUZNYHINDLTRNK-INIZCTEOSA-N 1 1 324.377 1.967 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000595659800 356595616 /nfs/dbraw/zinc/59/56/16/356595616.db2.gz PIMZPZPNAAGXCP-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000595659800 356595620 /nfs/dbraw/zinc/59/56/20/356595620.db2.gz PIMZPZPNAAGXCP-OAHLLOKOSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[C@H]1O ZINC000595743752 356631111 /nfs/dbraw/zinc/63/11/11/356631111.db2.gz QEGNBLJETLHARO-RTUWITSCSA-N 1 1 304.350 1.920 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[C@H]1O ZINC000595743752 356631112 /nfs/dbraw/zinc/63/11/12/356631112.db2.gz QEGNBLJETLHARO-RTUWITSCSA-N 1 1 304.350 1.920 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618265118 363551296 /nfs/dbraw/zinc/55/12/96/363551296.db2.gz UWIUCVGCOZZTKY-CYBMUJFWSA-N 1 1 317.349 1.572 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595829062 356666721 /nfs/dbraw/zinc/66/67/21/356666721.db2.gz GZIPKAKGGPCPEG-QWHCGFSZSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595829062 356666722 /nfs/dbraw/zinc/66/67/22/356666722.db2.gz GZIPKAKGGPCPEG-QWHCGFSZSA-N 1 1 319.361 1.810 20 5 DDBDMO C[NH2+]CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000237074089 202144722 /nfs/dbraw/zinc/14/47/22/202144722.db2.gz LGKWQCIVOABWDV-UHFFFAOYSA-N 1 1 317.349 1.543 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596081871 356766001 /nfs/dbraw/zinc/76/60/01/356766001.db2.gz AXYKFFQPWVOZEN-RYUDHWBXSA-N 1 1 304.350 1.732 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596110554 356775208 /nfs/dbraw/zinc/77/52/08/356775208.db2.gz OZTMAZGMYPBJOI-UHFFFAOYSA-N 1 1 312.395 1.541 20 5 DDBDMO C[C@H]1C[N@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)CO1 ZINC000596431583 356878204 /nfs/dbraw/zinc/87/82/04/356878204.db2.gz PIFUYEXUJBQXSO-QWRGUYRKSA-N 1 1 319.365 1.414 20 5 DDBDMO C[C@H]1C[N@@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)CO1 ZINC000596431583 356878207 /nfs/dbraw/zinc/87/82/07/356878207.db2.gz PIFUYEXUJBQXSO-QWRGUYRKSA-N 1 1 319.365 1.414 20 5 DDBDMO CCN(C(=O)c1nn(CC)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598041418 357439729 /nfs/dbraw/zinc/43/97/29/357439729.db2.gz UIMPTOBMYCURHW-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598341800 357543872 /nfs/dbraw/zinc/54/38/72/357543872.db2.gz GJZBTRQTHPUKIN-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599164769 357835435 /nfs/dbraw/zinc/83/54/35/357835435.db2.gz MBKZHRHWEZVVSU-NSHDSACASA-N 1 1 319.365 1.518 20 5 DDBDMO CCOC(=O)c1cc(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199266 357847867 /nfs/dbraw/zinc/84/78/67/357847867.db2.gz INSCOMUYUHALKK-LBPRGKRZSA-N 1 1 323.349 1.250 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000600309516 358192403 /nfs/dbraw/zinc/19/24/03/358192403.db2.gz BBRQOJKGANVUFQ-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180553005 199174913 /nfs/dbraw/zinc/17/49/13/199174913.db2.gz SJGVEADVJFORGG-NSHDSACASA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000601130820 358415579 /nfs/dbraw/zinc/41/55/79/358415579.db2.gz CHCBZVWZOUYXHE-BZNIZROVSA-N 1 1 316.361 1.696 20 5 DDBDMO C[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000601130820 358415582 /nfs/dbraw/zinc/41/55/82/358415582.db2.gz CHCBZVWZOUYXHE-BZNIZROVSA-N 1 1 316.361 1.696 20 5 DDBDMO CNC(=O)C(C)(C)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601132852 358416361 /nfs/dbraw/zinc/41/63/61/358416361.db2.gz OZQMDUOBGDDJKG-UHFFFAOYSA-N 1 1 302.334 1.749 20 5 DDBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601165106 358428961 /nfs/dbraw/zinc/42/89/61/358428961.db2.gz KGQFRDDOBNZOLO-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601165106 358428965 /nfs/dbraw/zinc/42/89/65/358428965.db2.gz KGQFRDDOBNZOLO-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000602167620 358860094 /nfs/dbraw/zinc/86/00/94/358860094.db2.gz OQJGMKMJGWQQGZ-TXEJJXNPSA-N 1 1 305.334 1.657 20 5 DDBDMO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000602174242 358863425 /nfs/dbraw/zinc/86/34/25/358863425.db2.gz SQUSVGQQXAZXRV-QWHCGFSZSA-N 1 1 307.350 1.759 20 5 DDBDMO Cn1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602425617 358968222 /nfs/dbraw/zinc/96/82/22/358968222.db2.gz RSEKYPNVSAKHOG-OAHLLOKOSA-N 1 1 315.377 1.817 20 5 DDBDMO Cn1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602425617 358968226 /nfs/dbraw/zinc/96/82/26/358968226.db2.gz RSEKYPNVSAKHOG-OAHLLOKOSA-N 1 1 315.377 1.817 20 5 DDBDMO O=C1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000602465266 358995919 /nfs/dbraw/zinc/99/59/19/358995919.db2.gz MTFNNNMSWANJGO-UHFFFAOYSA-N 1 1 317.267 1.936 20 5 DDBDMO O=C1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1 ZINC000602465266 358995922 /nfs/dbraw/zinc/99/59/22/358995922.db2.gz MTFNNNMSWANJGO-UHFFFAOYSA-N 1 1 317.267 1.936 20 5 DDBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602616966 359076011 /nfs/dbraw/zinc/07/60/11/359076011.db2.gz LBWZLSSAZWFBPU-LBPRGKRZSA-N 1 1 324.381 1.882 20 5 DDBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602616966 359076015 /nfs/dbraw/zinc/07/60/15/359076015.db2.gz LBWZLSSAZWFBPU-LBPRGKRZSA-N 1 1 324.381 1.882 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000602772617 359179250 /nfs/dbraw/zinc/17/92/50/359179250.db2.gz VLZBYPMXAKWJIK-UHFFFAOYSA-N 1 1 309.414 1.904 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000602772617 359179254 /nfs/dbraw/zinc/17/92/54/359179254.db2.gz VLZBYPMXAKWJIK-UHFFFAOYSA-N 1 1 309.414 1.904 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000602834590 359226686 /nfs/dbraw/zinc/22/66/86/359226686.db2.gz ULJGAACBBUHLQY-AWEZNQCLSA-N 1 1 301.350 1.984 20 5 DDBDMO Cn1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602823745 359218380 /nfs/dbraw/zinc/21/83/80/359218380.db2.gz CUIVTDNUZCGRRQ-INIZCTEOSA-N 1 1 316.361 1.642 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602888608 359272347 /nfs/dbraw/zinc/27/23/47/359272347.db2.gz OVNARVNHWWNYAF-GFCCVEGCSA-N 1 1 305.342 1.110 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000602902122 359283069 /nfs/dbraw/zinc/28/30/69/359283069.db2.gz GRYNOYYBGZUAHD-UHFFFAOYSA-N 1 1 320.393 1.991 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC1(CO)CC1 ZINC000186788029 200010391 /nfs/dbraw/zinc/01/03/91/200010391.db2.gz VEKWPGOFGVSNQW-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(CO)CC1 ZINC000186788029 200010392 /nfs/dbraw/zinc/01/03/92/200010392.db2.gz VEKWPGOFGVSNQW-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187918060 200176956 /nfs/dbraw/zinc/17/69/56/200176956.db2.gz LZGZOTFQSXOAEW-GFCCVEGCSA-N 1 1 320.393 1.981 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000604197986 359725754 /nfs/dbraw/zinc/72/57/54/359725754.db2.gz CSELTQMFXFPEJI-VIFPVBQESA-N 1 1 303.322 1.295 20 5 DDBDMO CO[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189326623 200382116 /nfs/dbraw/zinc/38/21/16/200382116.db2.gz HTRFWMIFWMOBLC-WWGRRREGSA-N 1 1 324.377 1.691 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000609491318 360314612 /nfs/dbraw/zinc/31/46/12/360314612.db2.gz FXGUFTSJWSTJGA-CQSZACIVSA-N 1 1 306.366 1.607 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000610489101 360449861 /nfs/dbraw/zinc/44/98/61/360449861.db2.gz AYZDOHUFMDZDOW-CQSZACIVSA-N 1 1 306.366 1.681 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610605355 360480945 /nfs/dbraw/zinc/48/09/45/360480945.db2.gz ZMHUPJLJGJBCGV-UONOGXRCSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180229 360651708 /nfs/dbraw/zinc/65/17/08/360651708.db2.gz VGILWVDWTVSJCA-PWSUYJOCSA-N 1 1 316.304 1.922 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273137 360686795 /nfs/dbraw/zinc/68/67/95/360686795.db2.gz ZXUJJOKANWSGCQ-OAHLLOKOSA-N 1 1 308.334 1.713 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273137 360686797 /nfs/dbraw/zinc/68/67/97/360686797.db2.gz ZXUJJOKANWSGCQ-OAHLLOKOSA-N 1 1 308.334 1.713 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCCO)C1CC1 ZINC000612077640 360912235 /nfs/dbraw/zinc/91/22/35/360912235.db2.gz FYNUEMOPHGSLKS-CYBMUJFWSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000619567163 364063643 /nfs/dbraw/zinc/06/36/43/364063643.db2.gz XVGGKCDPTSOELF-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c2nonc21 ZINC000275524609 212392475 /nfs/dbraw/zinc/39/24/75/212392475.db2.gz XCGIHCYGQCDJNM-UHFFFAOYSA-N 1 1 307.310 1.265 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264908637 204259243 /nfs/dbraw/zinc/25/92/43/204259243.db2.gz MWSPKOAWCKMYJX-UHFFFAOYSA-N 1 1 309.322 1.048 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000282624195 217133143 /nfs/dbraw/zinc/13/31/43/217133143.db2.gz JEZCLMDANWSCFO-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000266163635 205150071 /nfs/dbraw/zinc/15/00/71/205150071.db2.gz UIAAFYGURKNEQS-UHFFFAOYSA-N 1 1 309.391 1.302 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269629455 284353172 /nfs/dbraw/zinc/35/31/72/284353172.db2.gz FAGUJVBMSMTZCX-CJNGLKHVSA-N 1 1 307.394 1.902 20 5 DDBDMO C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C[NH+](C)C ZINC000293966121 223792688 /nfs/dbraw/zinc/79/26/88/223792688.db2.gz WNPMJJWKGMJBGV-SECBINFHSA-N 1 1 305.338 1.399 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000336830108 249240833 /nfs/dbraw/zinc/24/08/33/249240833.db2.gz BLMVNUDDLQABRB-SNVBAGLBSA-N 1 1 302.327 1.401 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284408553 218015704 /nfs/dbraw/zinc/01/57/04/218015704.db2.gz NUHFCYSEFFQDDC-AMIZOPFISA-N 1 1 322.340 1.529 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000284699800 218139463 /nfs/dbraw/zinc/13/94/63/218139463.db2.gz IJXQQJVAFCZVEJ-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000110653647 194347562 /nfs/dbraw/zinc/34/75/62/194347562.db2.gz JZKZGFSZUZCGSZ-SECBINFHSA-N 1 1 308.294 1.185 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000110995340 194378511 /nfs/dbraw/zinc/37/85/11/194378511.db2.gz FHJWWIJKSJLKNI-NSHDSACASA-N 1 1 324.356 1.920 20 5 DDBDMO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269163145 207286001 /nfs/dbraw/zinc/28/60/01/207286001.db2.gz ZBYGOGXTKQAKOH-LLVKDONJSA-N 1 1 307.350 1.905 20 5 DDBDMO CCCNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866549 194938655 /nfs/dbraw/zinc/93/86/55/194938655.db2.gz PWUCKKXBDFVMKJ-LLVKDONJSA-N 1 1 307.354 1.002 20 5 DDBDMO CCCNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866549 194938657 /nfs/dbraw/zinc/93/86/57/194938657.db2.gz PWUCKKXBDFVMKJ-LLVKDONJSA-N 1 1 307.354 1.002 20 5 DDBDMO COc1cc(C[N@H+](C)C2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000352425657 285041579 /nfs/dbraw/zinc/04/15/79/285041579.db2.gz MLDOUFHIQNQLTO-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO COc1cc(C[N@@H+](C)C2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000352425657 285041582 /nfs/dbraw/zinc/04/15/82/285041582.db2.gz MLDOUFHIQNQLTO-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424982419 533093561 /nfs/dbraw/zinc/09/35/61/533093561.db2.gz QKLMRXCBFXTGIM-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@H]1O ZINC000352661251 285205611 /nfs/dbraw/zinc/20/56/11/285205611.db2.gz RNRJCJHJGZXACX-CHWSQXEVSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[C@H]1O ZINC000352661251 285205614 /nfs/dbraw/zinc/20/56/14/285205614.db2.gz RNRJCJHJGZXACX-CHWSQXEVSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000352802445 285311499 /nfs/dbraw/zinc/31/14/99/285311499.db2.gz DVDCZMFZFCWYNN-IAQYHMDHSA-N 1 1 321.352 1.829 20 5 DDBDMO CCOCC[NH+]1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000360903429 306990659 /nfs/dbraw/zinc/99/06/59/306990659.db2.gz GPBGEQDPAZAXHU-UHFFFAOYSA-N 1 1 311.386 1.278 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187681817 292295454 /nfs/dbraw/zinc/29/54/54/292295454.db2.gz GAVVBQOOGJOHDK-ZIAGYGMSSA-N 1 1 307.394 1.963 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000078681604 407041122 /nfs/dbraw/zinc/04/11/22/407041122.db2.gz CSUZBYZZMADZJP-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000078681604 407041126 /nfs/dbraw/zinc/04/11/26/407041126.db2.gz CSUZBYZZMADZJP-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000045851956 407049891 /nfs/dbraw/zinc/04/98/91/407049891.db2.gz HWRDMZWKDAJWOC-CQSZACIVSA-N 1 1 307.398 1.674 20 5 DDBDMO CC[C@@H](CSC)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091097020 407178388 /nfs/dbraw/zinc/17/83/88/407178388.db2.gz LXXCGKVFGDGFLH-JQWIXIFHSA-N 1 1 302.400 1.226 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000098093508 407305728 /nfs/dbraw/zinc/30/57/28/407305728.db2.gz TVGQGOIZTVVRTE-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c1C ZINC000124197086 407350740 /nfs/dbraw/zinc/35/07/40/407350740.db2.gz RDQNHGODAFJOGK-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000107895227 407381141 /nfs/dbraw/zinc/38/11/41/407381141.db2.gz PSFMFOGZAHXEII-VIFPVBQESA-N 1 1 310.329 1.388 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000127418158 407435908 /nfs/dbraw/zinc/43/59/08/407435908.db2.gz MGUPOCLOGORBCA-RISCZKNCSA-N 1 1 320.393 1.979 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270985683 407451115 /nfs/dbraw/zinc/45/11/15/407451115.db2.gz XSKFXBVGHSWZGK-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270985683 407451121 /nfs/dbraw/zinc/45/11/21/407451121.db2.gz XSKFXBVGHSWZGK-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266550820 407555786 /nfs/dbraw/zinc/55/57/86/407555786.db2.gz UGWKRIPEWFIKMX-LBPRGKRZSA-N 1 1 323.349 1.193 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266550820 407555791 /nfs/dbraw/zinc/55/57/91/407555791.db2.gz UGWKRIPEWFIKMX-LBPRGKRZSA-N 1 1 323.349 1.193 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000266613417 407579993 /nfs/dbraw/zinc/57/99/93/407579993.db2.gz CBUNOGFEHJEUFN-NEPJUHHUSA-N 1 1 321.381 1.714 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000266613417 407580000 /nfs/dbraw/zinc/58/00/00/407580000.db2.gz CBUNOGFEHJEUFN-NEPJUHHUSA-N 1 1 321.381 1.714 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000266613417 407580004 /nfs/dbraw/zinc/58/00/04/407580004.db2.gz CBUNOGFEHJEUFN-NEPJUHHUSA-N 1 1 321.381 1.714 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114062605 407535590 /nfs/dbraw/zinc/53/55/90/407535590.db2.gz SOLKBCFSRANGBQ-QWRGUYRKSA-N 1 1 323.349 1.663 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114062620 407535884 /nfs/dbraw/zinc/53/58/84/407535884.db2.gz LVUMSQJTJSQXSU-MNOVXSKESA-N 1 1 323.349 1.663 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)O ZINC000114728069 407608206 /nfs/dbraw/zinc/60/82/06/407608206.db2.gz GOUBVQVQLGBUOF-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000266796836 407637992 /nfs/dbraw/zinc/63/79/92/407637992.db2.gz AUUDRUAKZWMOHQ-ZDUSSCGKSA-N 1 1 306.366 1.457 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H](CO)C3)n2)cc1 ZINC000266898881 407665016 /nfs/dbraw/zinc/66/50/16/407665016.db2.gz GBDGPFDCGNLQKV-SNVBAGLBSA-N 1 1 304.306 1.459 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](CO)C3)n2)cc1 ZINC000266898881 407665019 /nfs/dbraw/zinc/66/50/19/407665019.db2.gz GBDGPFDCGNLQKV-SNVBAGLBSA-N 1 1 304.306 1.459 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000186866687 407785979 /nfs/dbraw/zinc/78/59/79/407785979.db2.gz URMBQKQMMDOQOR-UHFFFAOYSA-N 1 1 322.365 1.116 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000116891459 407792466 /nfs/dbraw/zinc/79/24/66/407792466.db2.gz DPPVLABMJLJKLL-GFCCVEGCSA-N 1 1 313.379 1.027 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000116891459 407792470 /nfs/dbraw/zinc/79/24/70/407792470.db2.gz DPPVLABMJLJKLL-GFCCVEGCSA-N 1 1 313.379 1.027 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117285334 407822912 /nfs/dbraw/zinc/82/29/12/407822912.db2.gz DYAHDCAULVLIDC-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117285334 407822916 /nfs/dbraw/zinc/82/29/16/407822916.db2.gz DYAHDCAULVLIDC-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102278 407889435 /nfs/dbraw/zinc/88/94/35/407889435.db2.gz FTHXKLZLDONKFT-RISCZKNCSA-N 1 1 318.377 1.877 20 5 DDBDMO O=C(NCC[C@@H]1CCC[NH2+]C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238145478 407895654 /nfs/dbraw/zinc/89/56/54/407895654.db2.gz ZMVDIVYJPJASPB-JTQLQIEISA-N 1 1 317.349 1.591 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267599232 407848188 /nfs/dbraw/zinc/84/81/88/407848188.db2.gz JBFABSXIDMFDPH-AAEUAGOBSA-N 1 1 320.393 1.731 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000245437247 407981527 /nfs/dbraw/zinc/98/15/27/407981527.db2.gz DRDMZFMXXVAUEF-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO CSC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188067358 407916730 /nfs/dbraw/zinc/91/67/30/407916730.db2.gz QANAIYGPYLXJFD-CMPLNLGQSA-N 1 1 312.395 1.200 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162286 407923643 /nfs/dbraw/zinc/92/36/43/407923643.db2.gz CZEFGTNBLRUUKA-RISCZKNCSA-N 1 1 303.362 1.736 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000272451589 407925853 /nfs/dbraw/zinc/92/58/53/407925853.db2.gz NPPYYGUIWXXNMR-NWDGAFQWSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000272768228 408011259 /nfs/dbraw/zinc/01/12/59/408011259.db2.gz WYWNPNRHLXLBQG-GXFFZTMASA-N 1 1 305.338 1.548 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492269 408178995 /nfs/dbraw/zinc/17/89/95/408178995.db2.gz LZPBWQMQNGGYDP-AGIUHOORSA-N 1 1 310.350 1.037 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269265696 408241196 /nfs/dbraw/zinc/24/11/96/408241196.db2.gz DCZLUYDOOUPNBW-JTQLQIEISA-N 1 1 305.334 1.515 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269265696 408241202 /nfs/dbraw/zinc/24/12/02/408241202.db2.gz DCZLUYDOOUPNBW-JTQLQIEISA-N 1 1 305.334 1.515 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190425381 408243302 /nfs/dbraw/zinc/24/33/02/408243302.db2.gz YYGXMRRHQPYISJ-SGMGOOAPSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000182773557 408244795 /nfs/dbraw/zinc/24/47/95/408244795.db2.gz CIKTVFVNNBZMPC-LBPRGKRZSA-N 1 1 318.377 1.120 20 5 DDBDMO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246405762 408250084 /nfs/dbraw/zinc/25/00/84/408250084.db2.gz BTXKYAHKVXEELQ-LSDHHAIUSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000246405762 408250087 /nfs/dbraw/zinc/25/00/87/408250087.db2.gz BTXKYAHKVXEELQ-LSDHHAIUSA-N 1 1 303.362 1.880 20 5 DDBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000121392740 408200056 /nfs/dbraw/zinc/20/00/56/408200056.db2.gz GUMOVMNPIGCTLS-LBPRGKRZSA-N 1 1 322.365 1.685 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000190376788 408232166 /nfs/dbraw/zinc/23/21/66/408232166.db2.gz ZWDVSFFSCBOUHW-GXFFZTMASA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000190376788 408232172 /nfs/dbraw/zinc/23/21/72/408232172.db2.gz ZWDVSFFSCBOUHW-GXFFZTMASA-N 1 1 323.349 1.245 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000246739028 408330437 /nfs/dbraw/zinc/33/04/37/408330437.db2.gz AWLGLJXJMURAHC-GDBMZVCRSA-N 1 1 322.361 1.447 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c2ncccc12 ZINC000269496663 408330964 /nfs/dbraw/zinc/33/09/64/408330964.db2.gz PCKFJKCJIOOHMP-GFCCVEGCSA-N 1 1 313.361 1.555 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000269591588 408354229 /nfs/dbraw/zinc/35/42/29/408354229.db2.gz JTAIZNJSCQWFPK-UHFFFAOYSA-N 1 1 306.326 1.294 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806415 162243355 /nfs/dbraw/zinc/24/33/55/162243355.db2.gz WLOOQSNHUOCABA-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806415 162243357 /nfs/dbraw/zinc/24/33/57/162243357.db2.gz WLOOQSNHUOCABA-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806415 162243362 /nfs/dbraw/zinc/24/33/62/162243362.db2.gz WLOOQSNHUOCABA-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246994874 408380886 /nfs/dbraw/zinc/38/08/86/408380886.db2.gz BEDVKTIRAKAEAY-LSDHHAIUSA-N 1 1 321.377 1.115 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274440132 408405601 /nfs/dbraw/zinc/40/56/01/408405601.db2.gz HGGRYSZDGGBPRP-LLVKDONJSA-N 1 1 309.370 1.239 20 5 DDBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410914 408479324 /nfs/dbraw/zinc/47/93/24/408479324.db2.gz JNOAHRHTJIKRKO-MFKMUULPSA-N 1 1 307.350 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264429783 408487079 /nfs/dbraw/zinc/48/70/79/408487079.db2.gz ALKLVQKIRFZDKX-LLVKDONJSA-N 1 1 307.354 1.327 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CC)n1 ZINC000191810827 408496303 /nfs/dbraw/zinc/49/63/03/408496303.db2.gz DAIYWXXOYJGKTH-LLVKDONJSA-N 1 1 309.370 1.415 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000247458151 408472061 /nfs/dbraw/zinc/47/20/61/408472061.db2.gz QUFUXUDOBALSOL-WCQYABFASA-N 1 1 323.397 1.288 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247447301 408473259 /nfs/dbraw/zinc/47/32/59/408473259.db2.gz SLOBQXYPNJDLHK-PWSUYJOCSA-N 1 1 323.397 1.729 20 5 DDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000184337325 408593351 /nfs/dbraw/zinc/59/33/51/408593351.db2.gz VVLCBWAAEWLYBX-ZDUSSCGKSA-N 1 1 320.393 1.351 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000192475757 408594492 /nfs/dbraw/zinc/59/44/92/408594492.db2.gz AFUCEKKYGNJXAZ-TXEJJXNPSA-N 1 1 323.780 1.811 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264564797 408536673 /nfs/dbraw/zinc/53/66/73/408536673.db2.gz QZDVDPMEIXFHCV-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000192527766 408604492 /nfs/dbraw/zinc/60/44/92/408604492.db2.gz SJSVKGVRESEVNW-PHIMTYICSA-N 1 1 321.402 1.950 20 5 DDBDMO Cc1nc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275662416 408638420 /nfs/dbraw/zinc/63/84/20/408638420.db2.gz YROLTXUWUKRUMK-NSHDSACASA-N 1 1 308.382 1.580 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270879520 408722707 /nfs/dbraw/zinc/72/27/07/408722707.db2.gz DVDRIDAXQBJBBO-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1cccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000185382133 408802760 /nfs/dbraw/zinc/80/27/60/408802760.db2.gz CEIUICAYINOPFC-GFCCVEGCSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1cccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000185382133 408802765 /nfs/dbraw/zinc/80/27/65/408802765.db2.gz CEIUICAYINOPFC-GFCCVEGCSA-N 1 1 307.350 1.879 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000290869319 408847636 /nfs/dbraw/zinc/84/76/36/408847636.db2.gz ZNTBDLSLMDJGNF-LBPRGKRZSA-N 1 1 317.345 1.977 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000188854285 163073132 /nfs/dbraw/zinc/07/31/32/163073132.db2.gz HCXYTBWNADPKKU-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000189208439 163089360 /nfs/dbraw/zinc/08/93/60/163089360.db2.gz OLVGBTGYXMZFMG-LLVKDONJSA-N 1 1 307.350 1.593 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000194743034 163296174 /nfs/dbraw/zinc/29/61/74/163296174.db2.gz IRVMIZCJAASGPA-CYBMUJFWSA-N 1 1 318.377 1.993 20 5 DDBDMO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCOCC1 ZINC000278408424 409080748 /nfs/dbraw/zinc/08/07/48/409080748.db2.gz HIVUUXJNEWLTLW-LLVKDONJSA-N 1 1 319.365 1.851 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1F ZINC000278969874 409123017 /nfs/dbraw/zinc/12/30/17/409123017.db2.gz XRPVPWNWNKDLAE-HNNXBMFYSA-N 1 1 323.324 1.455 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1F ZINC000278969874 409123019 /nfs/dbraw/zinc/12/30/19/409123019.db2.gz XRPVPWNWNKDLAE-HNNXBMFYSA-N 1 1 323.324 1.455 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000279273771 409183053 /nfs/dbraw/zinc/18/30/53/409183053.db2.gz WOBVUHQGAKPONT-SNVBAGLBSA-N 1 1 324.356 1.481 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000280410249 409307350 /nfs/dbraw/zinc/30/73/50/409307350.db2.gz AUNVCCRQXZPVQZ-GFCCVEGCSA-N 1 1 307.350 1.350 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000280470163 409316745 /nfs/dbraw/zinc/31/67/45/409316745.db2.gz GKMZEDMYQVVGQO-LBPRGKRZSA-N 1 1 307.350 1.492 20 5 DDBDMO C[N@H+](Cc1ccccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295243783 409394308 /nfs/dbraw/zinc/39/43/08/409394308.db2.gz YKTZZNBLLJOMGD-HNNXBMFYSA-N 1 1 317.345 1.862 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000295355872 409447937 /nfs/dbraw/zinc/44/79/37/409447937.db2.gz ZCCWGUSACRUYOC-OAHLLOKOSA-N 1 1 324.356 1.557 20 5 DDBDMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000331623725 409708002 /nfs/dbraw/zinc/70/80/02/409708002.db2.gz YEXKBUXXPHEAMA-ZNMIVQPWSA-N 1 1 324.381 1.043 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356902457 409708918 /nfs/dbraw/zinc/70/89/18/409708918.db2.gz OBNIIWBQXAHEPV-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356902457 409708928 /nfs/dbraw/zinc/70/89/28/409708928.db2.gz OBNIIWBQXAHEPV-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO NC(=O)c1cccc(NC[C@@H]2CCCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000342778457 409898500 /nfs/dbraw/zinc/89/85/00/409898500.db2.gz IUEMOYDNJROCII-JTQLQIEISA-N 1 1 315.333 1.880 20 5 DDBDMO CCC(=O)N[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000354675089 410009482 /nfs/dbraw/zinc/00/94/82/410009482.db2.gz GLSKJLTUEUKKIY-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000354675089 410009485 /nfs/dbraw/zinc/00/94/85/410009485.db2.gz GLSKJLTUEUKKIY-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346609486 410036583 /nfs/dbraw/zinc/03/65/83/410036583.db2.gz CZPGRZWINQMHCX-SMDDNHRTSA-N 1 1 308.334 1.857 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354665353 410003518 /nfs/dbraw/zinc/00/35/18/410003518.db2.gz QLWMGJWPHVGUCC-VHSXEESVSA-N 1 1 309.370 1.619 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286166585 287101025 /nfs/dbraw/zinc/10/10/25/287101025.db2.gz WOIPALXJXAUSHJ-KGLIPLIRSA-N 1 1 323.393 1.772 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687669 410084177 /nfs/dbraw/zinc/08/41/77/410084177.db2.gz MIAQHRZRLVQGLS-SLEUVZQESA-N 1 1 319.361 1.689 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000346687669 410084179 /nfs/dbraw/zinc/08/41/79/410084179.db2.gz MIAQHRZRLVQGLS-SLEUVZQESA-N 1 1 319.361 1.689 20 5 DDBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635837 410124417 /nfs/dbraw/zinc/12/44/17/410124417.db2.gz QKRIXZNWIIQUOB-CHWSQXEVSA-N 1 1 309.366 1.239 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817063 410261216 /nfs/dbraw/zinc/26/12/16/410261216.db2.gz UEMHOAMURUYANV-KWBADKCTSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817063 410261220 /nfs/dbraw/zinc/26/12/20/410261220.db2.gz UEMHOAMURUYANV-KWBADKCTSA-N 1 1 323.349 1.243 20 5 DDBDMO C[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351774893 410224637 /nfs/dbraw/zinc/22/46/37/410224637.db2.gz PGFPHEDEWSVUPT-GWCFXTLKSA-N 1 1 321.333 1.205 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351774205 410225511 /nfs/dbraw/zinc/22/55/11/410225511.db2.gz KDJOFYZAYGPGDQ-NURSFMCSSA-N 1 1 307.350 1.543 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351774205 410225519 /nfs/dbraw/zinc/22/55/19/410225519.db2.gz KDJOFYZAYGPGDQ-NURSFMCSSA-N 1 1 307.350 1.543 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000343199627 410227454 /nfs/dbraw/zinc/22/74/54/410227454.db2.gz FGOXMKVNQWHRGP-TUAOUCFPSA-N 1 1 321.381 1.795 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 ZINC000298725048 410365762 /nfs/dbraw/zinc/36/57/62/410365762.db2.gz PPMOUGKLHKHUBF-NXEZZACHSA-N 1 1 324.385 1.267 20 5 DDBDMO COc1cc(C[N@@H+](C)CC2(O)CCC2)c([N+](=O)[O-])cc1OC ZINC000355361390 410468553 /nfs/dbraw/zinc/46/85/53/410468553.db2.gz HIORMJTWUWIQQM-UHFFFAOYSA-N 1 1 310.350 1.959 20 5 DDBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)cn2cc[nH+]c12 ZINC000355426102 410510022 /nfs/dbraw/zinc/51/00/22/410510022.db2.gz VXCBNJLSXDHAGI-UHFFFAOYSA-N 1 1 300.278 1.537 20 5 DDBDMO CC[N@@H+](C[C@@H](C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000352187447 410534393 /nfs/dbraw/zinc/53/43/93/410534393.db2.gz RVSQBMIKZPBOPA-RISCZKNCSA-N 1 1 307.350 1.403 20 5 DDBDMO CCC[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000355590732 410596839 /nfs/dbraw/zinc/59/68/39/410596839.db2.gz WGNLAHUCELBIJE-UHFFFAOYSA-N 1 1 309.322 1.662 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291221 410602672 /nfs/dbraw/zinc/60/26/72/410602672.db2.gz XIRJIPVROBSPNP-SWLSCSKDSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291221 410602678 /nfs/dbraw/zinc/60/26/78/410602678.db2.gz XIRJIPVROBSPNP-SWLSCSKDSA-N 1 1 321.377 1.881 20 5 DDBDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202912 410545294 /nfs/dbraw/zinc/54/52/94/410545294.db2.gz NLQALLCWHRECLO-ZYHUDNBSSA-N 1 1 309.366 1.933 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)n1 ZINC000340205520 410751667 /nfs/dbraw/zinc/75/16/67/410751667.db2.gz YLPRUAYYCKUGKA-MWLCHTKSSA-N 1 1 322.287 1.569 20 5 DDBDMO Cc1nc(N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301641301 410760004 /nfs/dbraw/zinc/76/00/04/410760004.db2.gz GPVUYYWKAYDYLS-CQSZACIVSA-N 1 1 320.393 1.989 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628209 410780220 /nfs/dbraw/zinc/78/02/20/410780220.db2.gz ZITSRWYQJGBUFR-CYBMUJFWSA-N 1 1 305.334 1.410 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330649745 410851630 /nfs/dbraw/zinc/85/16/30/410851630.db2.gz JELPDOFQFIXSMW-OSAQELSMSA-N 1 1 310.350 1.037 20 5 DDBDMO C[NH+]1CCN(C(=O)CCSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000330663313 410859887 /nfs/dbraw/zinc/85/98/87/410859887.db2.gz DVQAZDUSHVJNJX-UHFFFAOYSA-N 1 1 310.379 1.246 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331095204 410945713 /nfs/dbraw/zinc/94/57/13/410945713.db2.gz ZYFPMQCSQVJAGC-UHFFFAOYSA-N 1 1 309.370 1.294 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242527 411049118 /nfs/dbraw/zinc/04/91/18/411049118.db2.gz OCTCKNVGZITEIC-JTQLQIEISA-N 1 1 307.325 1.948 20 5 DDBDMO NC(=O)c1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341722587 411051779 /nfs/dbraw/zinc/05/17/79/411051779.db2.gz OLOKNUXTFQUVRJ-WDEREUQCSA-N 1 1 304.350 1.732 20 5 DDBDMO CC(C)Oc1nc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000580725715 422950935 /nfs/dbraw/zinc/95/09/35/422950935.db2.gz UJYYCSZYGFKGTN-SNVBAGLBSA-N 1 1 317.349 2.470 20 5 DDBDMO CC(C)Oc1nc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000580725715 422950937 /nfs/dbraw/zinc/95/09/37/422950937.db2.gz UJYYCSZYGFKGTN-SNVBAGLBSA-N 1 1 317.349 2.470 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000134059639 196357513 /nfs/dbraw/zinc/35/75/13/196357513.db2.gz RQVYLYCOJLWOJW-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3COC[C@H]3O)cs2)c1 ZINC000295717768 225157454 /nfs/dbraw/zinc/15/74/54/225157454.db2.gz VCHGGIJFCHFFNR-CHWSQXEVSA-N 1 1 321.358 1.568 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070077003 292587555 /nfs/dbraw/zinc/58/75/55/292587555.db2.gz VQFUDNYLCHZVGK-GHMZBOCLSA-N 1 1 313.379 1.274 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336576 226121994 /nfs/dbraw/zinc/12/19/94/226121994.db2.gz XHRUDGNGMWGPDC-ZIAGYGMSSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000419336576 226121998 /nfs/dbraw/zinc/12/19/98/226121998.db2.gz XHRUDGNGMWGPDC-ZIAGYGMSSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000419336576 226122001 /nfs/dbraw/zinc/12/20/01/226122001.db2.gz XHRUDGNGMWGPDC-ZIAGYGMSSA-N 1 1 307.394 1.524 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000361075668 418578566 /nfs/dbraw/zinc/57/85/66/418578566.db2.gz CQBZEACTWVTGIC-QWRGUYRKSA-N 1 1 306.366 1.849 20 5 DDBDMO CC(C)(O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189895797 222061278 /nfs/dbraw/zinc/06/12/78/222061278.db2.gz FFVMMNIORCYFQE-CQSZACIVSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000361073600 418577797 /nfs/dbraw/zinc/57/77/97/418577797.db2.gz LTLZZBJOFALYQU-BETUJISGSA-N 1 1 308.382 1.713 20 5 DDBDMO C[C@@H]1CCOCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992225 418586099 /nfs/dbraw/zinc/58/60/99/418586099.db2.gz WLEHDDKDNVWDMB-OCCSQVGLSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037019 418593268 /nfs/dbraw/zinc/59/32/68/418593268.db2.gz HXURXPBZETUEKB-RISCZKNCSA-N 1 1 318.377 1.652 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262700 418614344 /nfs/dbraw/zinc/61/43/44/418614344.db2.gz OOIHAIMKVUPMRK-BXKDBHETSA-N 1 1 303.322 1.629 20 5 DDBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000361364974 418635165 /nfs/dbraw/zinc/63/51/65/418635165.db2.gz CSLDUOQXZSMXOY-CHWSQXEVSA-N 1 1 324.381 1.080 20 5 DDBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796405 418635526 /nfs/dbraw/zinc/63/55/26/418635526.db2.gz RIMFLMHQOWPCCW-IINYFYTJSA-N 1 1 308.338 1.103 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000375508588 418651649 /nfs/dbraw/zinc/65/16/49/418651649.db2.gz UDIQCSNIVLIHIX-JTQLQIEISA-N 1 1 314.773 1.536 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000361575866 418683672 /nfs/dbraw/zinc/68/36/72/418683672.db2.gz FKUGGPSGNIYVEV-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCOC1 ZINC000361575866 418683675 /nfs/dbraw/zinc/68/36/75/418683675.db2.gz FKUGGPSGNIYVEV-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372839443 418907084 /nfs/dbraw/zinc/90/70/84/418907084.db2.gz OOYWVLVNBPGOQL-CABCVRRESA-N 1 1 318.377 1.422 20 5 DDBDMO Nc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000365880429 418918714 /nfs/dbraw/zinc/91/87/14/418918714.db2.gz QSMORTDAXIHOAI-GFCCVEGCSA-N 1 1 302.338 1.606 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411555767 419341866 /nfs/dbraw/zinc/34/18/66/419341866.db2.gz WWYXCQOXYWRKAI-TUKIKUTGSA-N 1 1 303.362 1.766 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411960192 419524475 /nfs/dbraw/zinc/52/44/75/419524475.db2.gz WDWPQENLZYTWEA-JTQLQIEISA-N 1 1 317.349 1.381 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411960192 419524486 /nfs/dbraw/zinc/52/44/86/419524486.db2.gz WDWPQENLZYTWEA-JTQLQIEISA-N 1 1 317.349 1.381 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411935958 419505260 /nfs/dbraw/zinc/50/52/60/419505260.db2.gz LHEFNKSCPDQNGN-LBPRGKRZSA-N 1 1 307.350 1.384 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000427456833 419663893 /nfs/dbraw/zinc/66/38/93/419663893.db2.gz QWYACUOSFOOVMT-UHFFFAOYSA-N 1 1 323.397 1.806 20 5 DDBDMO CN1CCNC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517857 420068668 /nfs/dbraw/zinc/06/86/68/420068668.db2.gz OJFZKFMBVPZIDI-GDBMZVCRSA-N 1 1 304.394 1.465 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000420283566 420181345 /nfs/dbraw/zinc/18/13/45/420181345.db2.gz CDIYZEASHPRQLL-WFASDCNBSA-N 1 1 320.393 1.983 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420592776 420325354 /nfs/dbraw/zinc/32/53/54/420325354.db2.gz BCBVHQSRFMORNG-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349074 230006835 /nfs/dbraw/zinc/00/68/35/230006835.db2.gz SYPVCIUBNNRCJE-MBNYWOFBSA-N 1 1 309.366 1.238 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc4cnccn34)nc2c1 ZINC000446828103 230306453 /nfs/dbraw/zinc/30/64/53/230306453.db2.gz RSHWQZAHNCWDRB-UHFFFAOYSA-N 1 1 323.316 1.804 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000457103534 420615238 /nfs/dbraw/zinc/61/52/38/420615238.db2.gz BCCOXQFXPYEDAL-AWEZNQCLSA-N 1 1 321.377 1.915 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000493085623 420752902 /nfs/dbraw/zinc/75/29/02/420752902.db2.gz CPPROEFNQACUKN-SREVYHEPSA-N 1 1 319.361 1.447 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493153804 420772821 /nfs/dbraw/zinc/77/28/21/420772821.db2.gz LMGYJRCGKBGZQI-IDTUSYRASA-N 1 1 307.325 1.768 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447685986 420793818 /nfs/dbraw/zinc/79/38/18/420793818.db2.gz OGRWHYLGZOVMER-LLVKDONJSA-N 1 1 319.365 1.364 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000454139173 420805117 /nfs/dbraw/zinc/80/51/17/420805117.db2.gz DLWVXWGJWBYVAH-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000454139173 420805120 /nfs/dbraw/zinc/80/51/20/420805120.db2.gz DLWVXWGJWBYVAH-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448058399 420835028 /nfs/dbraw/zinc/83/50/28/420835028.db2.gz NECSRGCREKQWFY-YPMHNXCESA-N 1 1 305.382 1.781 20 5 DDBDMO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449635813 421041341 /nfs/dbraw/zinc/04/13/41/421041341.db2.gz CHSPHBDNIFPSKI-NXEZZACHSA-N 1 1 317.349 1.718 20 5 DDBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490065427 421188074 /nfs/dbraw/zinc/18/80/74/421188074.db2.gz WHLRLPIYPYEFKF-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450601295 421215932 /nfs/dbraw/zinc/21/59/32/421215932.db2.gz YITFPXLKQQLBSD-GFCCVEGCSA-N 1 1 311.386 1.378 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000560522660 421277308 /nfs/dbraw/zinc/27/73/08/421277308.db2.gz ZHDYYRGOEDBJCP-FOSCPWQOSA-N 1 1 306.366 1.631 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321746 421708306 /nfs/dbraw/zinc/70/83/06/421708306.db2.gz HARCNJZARQDTRO-JBLDHEPKSA-N 1 1 307.354 1.120 20 5 DDBDMO Cc1c(CC(=O)NCC[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000533497594 421676110 /nfs/dbraw/zinc/67/61/10/421676110.db2.gz ZJUCRESSNMQLHR-LBPRGKRZSA-N 1 1 305.378 1.904 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000519885105 421735962 /nfs/dbraw/zinc/73/59/62/421735962.db2.gz ITJKXTHPQUZCLT-UHFFFAOYSA-N 1 1 308.382 1.880 20 5 DDBDMO NC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712334 422412207 /nfs/dbraw/zinc/41/22/07/422412207.db2.gz WWNDUXYYXMNSHK-CHWSQXEVSA-N 1 1 323.397 1.373 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000179708899 263362352 /nfs/dbraw/zinc/36/23/52/263362352.db2.gz VIRMIBFDGMGARC-OAHLLOKOSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000179708899 263362357 /nfs/dbraw/zinc/36/23/57/263362357.db2.gz VIRMIBFDGMGARC-OAHLLOKOSA-N 1 1 308.334 1.808 20 5 DDBDMO CC(=O)c1cc(N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000322609287 271029223 /nfs/dbraw/zinc/02/92/23/271029223.db2.gz YZPOODRVMMZKFN-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO Cc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000341690959 271172182 /nfs/dbraw/zinc/17/21/82/271172182.db2.gz XANVMWKOWSTDPE-UHFFFAOYSA-N 1 1 302.334 1.592 20 5 DDBDMO Cc1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000341690959 271172186 /nfs/dbraw/zinc/17/21/86/271172186.db2.gz XANVMWKOWSTDPE-UHFFFAOYSA-N 1 1 302.334 1.592 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000341772129 271206821 /nfs/dbraw/zinc/20/68/21/271206821.db2.gz MUVXKRORYVVYFJ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000341772129 271206823 /nfs/dbraw/zinc/20/68/23/271206823.db2.gz MUVXKRORYVVYFJ-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)[C@@H](C)C1 ZINC000341799998 271215491 /nfs/dbraw/zinc/21/54/91/271215491.db2.gz PKGPYTGMMSRJNI-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2NC)[C@@H](C)C1 ZINC000341799998 271215494 /nfs/dbraw/zinc/21/54/94/271215494.db2.gz PKGPYTGMMSRJNI-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344662750 272084392 /nfs/dbraw/zinc/08/43/92/272084392.db2.gz KMIQUOGEVOWQRU-NSHDSACASA-N 1 1 323.397 1.487 20 5 DDBDMO COCC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153542152 274032021 /nfs/dbraw/zinc/03/20/21/274032021.db2.gz IDOLCESSZONZDG-UHFFFAOYSA-N 1 1 300.746 1.412 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000275387164 274270510 /nfs/dbraw/zinc/27/05/10/274270510.db2.gz PYSWOEPDMHWHBM-VXGBXAGGSA-N 1 1 320.393 1.454 20 5 DDBDMO CCOc1cccc(N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302469443 276381232 /nfs/dbraw/zinc/38/12/32/276381232.db2.gz VSWIUUJGSGUBCR-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302469443 276381233 /nfs/dbraw/zinc/38/12/33/276381233.db2.gz VSWIUUJGSGUBCR-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296580003 277212977 /nfs/dbraw/zinc/21/29/77/277212977.db2.gz IBLYQISFLGZYIM-LBPRGKRZSA-N 1 1 324.381 1.533 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000425278981 277481642 /nfs/dbraw/zinc/48/16/42/277481642.db2.gz KTMIVFZMIOQKOJ-UHFFFAOYSA-N 1 1 311.386 1.184 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193658134 279236175 /nfs/dbraw/zinc/23/61/75/279236175.db2.gz SKQXGCOXMZUCIL-UPJWGTAASA-N 1 1 318.377 1.415 20 5 DDBDMO CCOc1cc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000107040023 281054456 /nfs/dbraw/zinc/05/44/56/281054456.db2.gz IZRBAOLDRRYXJH-UHFFFAOYSA-N 1 1 309.366 1.498 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000324470664 298262913 /nfs/dbraw/zinc/26/29/13/298262913.db2.gz ZULXCEYWTXMRFQ-CQSZACIVSA-N 1 1 319.365 1.554 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000358062411 299061590 /nfs/dbraw/zinc/06/15/90/299061590.db2.gz XIUPTCGMFGQQSO-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362072669 300000450 /nfs/dbraw/zinc/00/04/50/300000450.db2.gz PLYQHHQFKHGCMC-RYUDHWBXSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362072669 300000453 /nfs/dbraw/zinc/00/04/53/300000453.db2.gz PLYQHHQFKHGCMC-RYUDHWBXSA-N 1 1 307.350 1.402 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000362276427 300041755 /nfs/dbraw/zinc/04/17/55/300041755.db2.gz GXKAURCJJJQYGF-HNNXBMFYSA-N 1 1 324.333 1.415 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000362444040 300064805 /nfs/dbraw/zinc/06/48/05/300064805.db2.gz BRXQEAZRXZLQIJ-RISCZKNCSA-N 1 1 306.366 1.321 20 5 DDBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364251637 300362891 /nfs/dbraw/zinc/36/28/91/300362891.db2.gz KXEWCCWWLRBPFQ-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435545 300397007 /nfs/dbraw/zinc/39/70/07/300397007.db2.gz SPKBFIKBSMPKSJ-GWCFXTLKSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364435545 300397010 /nfs/dbraw/zinc/39/70/10/300397010.db2.gz SPKBFIKBSMPKSJ-GWCFXTLKSA-N 1 1 305.334 1.379 20 5 DDBDMO Cn1cc(C[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000368405797 301020541 /nfs/dbraw/zinc/02/05/41/301020541.db2.gz VVLRTGSQJOVRCB-GFCCVEGCSA-N 1 1 304.354 1.089 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279146 301155726 /nfs/dbraw/zinc/15/57/26/301155726.db2.gz VVTKLTZKVHROOT-NSHDSACASA-N 1 1 322.365 1.086 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000369279146 301155727 /nfs/dbraw/zinc/15/57/27/301155727.db2.gz VVTKLTZKVHROOT-NSHDSACASA-N 1 1 322.365 1.086 20 5 DDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000369996093 301254720 /nfs/dbraw/zinc/25/47/20/301254720.db2.gz LQJCOBRTKQXBAW-ZDUSSCGKSA-N 1 1 319.369 1.164 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000370044250 301264333 /nfs/dbraw/zinc/26/43/33/301264333.db2.gz APGVPLJXDZMZNV-UHFFFAOYSA-N 1 1 307.398 1.779 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]12 ZINC000377715115 302217720 /nfs/dbraw/zinc/21/77/20/302217720.db2.gz CTYOYUXHKQJIHC-MWLCHTKSSA-N 1 1 316.317 1.304 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]12 ZINC000377715115 302217723 /nfs/dbraw/zinc/21/77/23/302217723.db2.gz CTYOYUXHKQJIHC-MWLCHTKSSA-N 1 1 316.317 1.304 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804456 303257863 /nfs/dbraw/zinc/25/78/63/303257863.db2.gz ZPGCKLGGYGKRCB-ABAIWWIYSA-N 1 1 318.377 1.877 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144533 303277092 /nfs/dbraw/zinc/27/70/92/303277092.db2.gz DVOVTOPTIUOTAF-LBPRGKRZSA-N 1 1 306.366 1.984 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000534338945 303331903 /nfs/dbraw/zinc/33/19/03/303331903.db2.gz GVUNNXQILANMBS-RYUDHWBXSA-N 1 1 321.377 1.697 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362086967 307013701 /nfs/dbraw/zinc/01/37/01/307013701.db2.gz LFXAKBUVMMJIAF-RYUDHWBXSA-N 1 1 310.350 1.542 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362644506 307023444 /nfs/dbraw/zinc/02/34/44/307023444.db2.gz RXULOAZCXQIHFN-GWCFXTLKSA-N 1 1 307.350 1.417 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367518653 307096291 /nfs/dbraw/zinc/09/62/91/307096291.db2.gz NNYVOGQRNITPNH-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367518653 307096292 /nfs/dbraw/zinc/09/62/92/307096292.db2.gz NNYVOGQRNITPNH-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017394 307114588 /nfs/dbraw/zinc/11/45/88/307114588.db2.gz OIDFLILIDQXYMR-UONOGXRCSA-N 1 1 307.398 1.913 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369067639 307115169 /nfs/dbraw/zinc/11/51/69/307115169.db2.gz UUZQFMZUIJHRRV-LBPRGKRZSA-N 1 1 321.381 1.233 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000375325473 307222323 /nfs/dbraw/zinc/22/23/23/307222323.db2.gz DTIBIHWCLOOEBR-MRXNPFEDSA-N 1 1 319.361 1.813 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000375325473 307222324 /nfs/dbraw/zinc/22/23/24/307222324.db2.gz DTIBIHWCLOOEBR-MRXNPFEDSA-N 1 1 319.361 1.813 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663595 307252400 /nfs/dbraw/zinc/25/24/00/307252400.db2.gz LJGVZJBHDXMSEJ-ZYHUDNBSSA-N 1 1 320.349 1.170 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000521899241 307470545 /nfs/dbraw/zinc/47/05/45/307470545.db2.gz PGNOZKSVUAZTHT-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO CC(C)O[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564915082 308011887 /nfs/dbraw/zinc/01/18/87/308011887.db2.gz AUPUACRPYZFQNR-ZIAGYGMSSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727961 484215404 /nfs/dbraw/zinc/21/54/04/484215404.db2.gz WZZVIZLGSRHLMJ-AAEUAGOBSA-N 1 1 319.361 1.187 20 5 DDBDMO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000330869345 527139475 /nfs/dbraw/zinc/13/94/75/527139475.db2.gz SWYAKCFGBSYPRY-HNNXBMFYSA-N 1 1 307.350 1.057 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000157291517 527311638 /nfs/dbraw/zinc/31/16/38/527311638.db2.gz RWEKLBAYMSAYKS-IUODEOHRSA-N 1 1 318.377 1.855 20 5 DDBDMO CC[N@H+](CC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000069797439 696385990 /nfs/dbraw/zinc/38/59/90/696385990.db2.gz RWWBOGJTRTUMPO-UHFFFAOYSA-N 1 1 303.318 1.880 20 5 DDBDMO CC[N@@H+](CC1CC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000069797439 696385992 /nfs/dbraw/zinc/38/59/92/696385992.db2.gz RWWBOGJTRTUMPO-UHFFFAOYSA-N 1 1 303.318 1.880 20 5 DDBDMO C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000748128458 700101227 /nfs/dbraw/zinc/10/12/27/700101227.db2.gz IOIDTXMQJKHSHP-GRYCIOLGSA-N 1 1 310.354 1.596 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194732183 697719420 /nfs/dbraw/zinc/71/94/20/697719420.db2.gz CLNXPGZDNJNLDV-JTQLQIEISA-N 1 1 322.321 1.635 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778260571 698254631 /nfs/dbraw/zinc/25/46/31/698254631.db2.gz BKJBHQJUPKBTCL-SECBINFHSA-N 1 1 321.362 1.424 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)c1c([N+](=O)[O-])cnn1C ZINC000778840806 698375267 /nfs/dbraw/zinc/37/52/67/698375267.db2.gz JWSQMVIJODYLPT-UHFFFAOYSA-N 1 1 307.310 1.470 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000781668336 698638251 /nfs/dbraw/zinc/63/82/51/698638251.db2.gz QAZBJVPFYFAVMT-UHFFFAOYSA-N 1 1 305.294 1.324 20 5 DDBDMO O=C1CN(C[NH+]2CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000726582977 699369084 /nfs/dbraw/zinc/36/90/84/699369084.db2.gz LIUYHCPBSQTLNY-UHFFFAOYSA-N 1 1 304.306 1.417 20 5 DDBDMO COCC[N@H+]1CCC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000729987786 699496869 /nfs/dbraw/zinc/49/68/69/699496869.db2.gz ROEIRYFZLVWMFL-LBPRGKRZSA-N 1 1 319.365 1.765 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000792175719 699680782 /nfs/dbraw/zinc/68/07/82/699680782.db2.gz ZRLABQOKKQYESY-UHFFFAOYSA-N 1 1 314.139 1.465 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794953926 699837442 /nfs/dbraw/zinc/83/74/42/699837442.db2.gz STMLZXPNEBKHPK-NHAGDIPZSA-N 1 1 320.345 1.844 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794953926 699837444 /nfs/dbraw/zinc/83/74/44/699837444.db2.gz STMLZXPNEBKHPK-NHAGDIPZSA-N 1 1 320.345 1.844 20 5 DDBDMO C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751926659 700326889 /nfs/dbraw/zinc/32/68/89/700326889.db2.gz VGCWYKZGVPBFGK-LLVKDONJSA-N 1 1 318.333 1.805 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000751926659 700326894 /nfs/dbraw/zinc/32/68/94/700326894.db2.gz VGCWYKZGVPBFGK-LLVKDONJSA-N 1 1 318.333 1.805 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803517 700388926 /nfs/dbraw/zinc/38/89/26/700388926.db2.gz JNMLIZQRTPCRKH-CMPLNLGQSA-N 1 1 319.365 1.841 20 5 DDBDMO COc1cc(N)c([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1C ZINC000753451072 700435091 /nfs/dbraw/zinc/43/50/91/700435091.db2.gz DGDGTFLAQBHQHD-UHFFFAOYSA-N 1 1 320.305 1.548 20 5 DDBDMO C[C@@H]1COCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000753991667 700474564 /nfs/dbraw/zinc/47/45/64/700474564.db2.gz CDVJTCQJXGWVHL-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H]1COCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000753991667 700474567 /nfs/dbraw/zinc/47/45/67/700474567.db2.gz CDVJTCQJXGWVHL-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839708588 701791872 /nfs/dbraw/zinc/79/18/72/701791872.db2.gz KBCVMYVNGCFKNW-NILFDRSVSA-N 1 1 318.377 1.388 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000810614156 701800734 /nfs/dbraw/zinc/80/07/34/701800734.db2.gz BOCCXIUQTBXWNY-SNVBAGLBSA-N 1 1 321.337 1.663 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000868452990 702137622 /nfs/dbraw/zinc/13/76/22/702137622.db2.gz QNFXUNMJMKPWRK-OLZOCXBDSA-N 1 1 321.352 1.687 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000816954084 702237179 /nfs/dbraw/zinc/23/71/79/702237179.db2.gz STGALXSLNNAYNT-MFOKFAIFSA-N 1 1 301.346 1.771 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000817282551 702327224 /nfs/dbraw/zinc/32/72/24/702327224.db2.gz GGUYXLVRDXNQJK-SNVBAGLBSA-N 1 1 308.294 1.071 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000817282551 702327229 /nfs/dbraw/zinc/32/72/29/702327229.db2.gz GGUYXLVRDXNQJK-SNVBAGLBSA-N 1 1 308.294 1.071 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842045980 702663168 /nfs/dbraw/zinc/66/31/68/702663168.db2.gz NYILUWRCWLCHHY-GHMZBOCLSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842045980 702663171 /nfs/dbraw/zinc/66/31/71/702663171.db2.gz NYILUWRCWLCHHY-GHMZBOCLSA-N 1 1 324.337 1.394 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)cc1 ZINC000842568848 702734207 /nfs/dbraw/zinc/73/42/07/702734207.db2.gz CMIRGVHUQSBACW-GFCCVEGCSA-N 1 1 304.306 1.913 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540344 706724496 /nfs/dbraw/zinc/72/44/96/706724496.db2.gz LYAKAWKTDUMUGS-YGRLFVJLSA-N 1 1 321.352 1.875 20 5 DDBDMO CO[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481548 703555546 /nfs/dbraw/zinc/55/55/46/703555546.db2.gz ZZZVOGHIYCQCMF-CABCVRRESA-N 1 1 319.361 1.589 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481548 703555547 /nfs/dbraw/zinc/55/55/47/703555547.db2.gz ZZZVOGHIYCQCMF-CABCVRRESA-N 1 1 319.361 1.589 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CCCCO)CC1 ZINC000848668109 703573753 /nfs/dbraw/zinc/57/37/53/703573753.db2.gz OEECTOJXRDLFDI-UHFFFAOYSA-N 1 1 309.366 1.498 20 5 DDBDMO COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000879710468 706767167 /nfs/dbraw/zinc/76/71/67/706767167.db2.gz ZEMDQNBFTMMEKG-INIZCTEOSA-N 1 1 324.377 1.756 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852437434 704048522 /nfs/dbraw/zinc/04/85/22/704048522.db2.gz YCCMXDFGUWEPCD-KBPBESRZSA-N 1 1 321.333 1.155 20 5 DDBDMO COC[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870892151 704159225 /nfs/dbraw/zinc/15/92/25/704159225.db2.gz NUYCNQAQOCTLRN-ABAIWWIYSA-N 1 1 307.350 1.264 20 5 DDBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000870908892 704163868 /nfs/dbraw/zinc/16/38/68/704163868.db2.gz CFRAHKUJSOTBNE-RRFJBIMHSA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000870908892 704163869 /nfs/dbraw/zinc/16/38/69/704163869.db2.gz CFRAHKUJSOTBNE-RRFJBIMHSA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000870908892 704163871 /nfs/dbraw/zinc/16/38/71/704163871.db2.gz CFRAHKUJSOTBNE-RRFJBIMHSA-N 1 1 303.362 1.351 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC1(C)C ZINC000871152834 704231721 /nfs/dbraw/zinc/23/17/21/704231721.db2.gz UTLSXFHWJRVWIZ-UHFFFAOYSA-N 1 1 324.356 1.872 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853798691 704317121 /nfs/dbraw/zinc/31/71/21/704317121.db2.gz HOOZZDBGQIBENK-ZJUUUORDSA-N 1 1 321.337 1.652 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853798691 704317122 /nfs/dbraw/zinc/31/71/22/704317122.db2.gz HOOZZDBGQIBENK-ZJUUUORDSA-N 1 1 321.337 1.652 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000821091299 704371152 /nfs/dbraw/zinc/37/11/52/704371152.db2.gz AQQQGTGLIQSUEJ-TZMCWYRMSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000821091299 704371155 /nfs/dbraw/zinc/37/11/55/704371155.db2.gz AQQQGTGLIQSUEJ-TZMCWYRMSA-N 1 1 321.377 1.661 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328854 704391528 /nfs/dbraw/zinc/39/15/28/704391528.db2.gz QRTGVRBFDCUUAR-OKILXGFUSA-N 1 1 319.361 1.514 20 5 DDBDMO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855485766 704487270 /nfs/dbraw/zinc/48/72/70/704487270.db2.gz HDAFOBVEPBZZAU-HUUCEWRRSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850681 705203220 /nfs/dbraw/zinc/20/32/20/705203220.db2.gz VUUDOEHAABRUPN-HUUCEWRRSA-N 1 1 303.362 1.832 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827346623 705982392 /nfs/dbraw/zinc/98/23/92/705982392.db2.gz PSBOFNCFIKVFKU-DOMZBBRYSA-N 1 1 319.361 1.526 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827363734 705985463 /nfs/dbraw/zinc/98/54/63/705985463.db2.gz CABPIJKYHGOBSC-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827371933 705988098 /nfs/dbraw/zinc/98/80/98/705988098.db2.gz BELWJINKVDYOSD-WCQYABFASA-N 1 1 304.350 1.343 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000863829895 706022828 /nfs/dbraw/zinc/02/28/28/706022828.db2.gz MHTGQTBMHZJBBG-JTQLQIEISA-N 1 1 313.741 1.045 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c2nonc21 ZINC000828421133 706176247 /nfs/dbraw/zinc/17/62/47/706176247.db2.gz IXDFKAZKQDEQIT-SNVBAGLBSA-N 1 1 321.337 1.390 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000878518885 706414524 /nfs/dbraw/zinc/41/45/24/706414524.db2.gz VBSMKYTXPBZVOR-CYBMUJFWSA-N 1 1 318.381 1.713 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138963 706888461 /nfs/dbraw/zinc/88/84/61/706888461.db2.gz JGQOKTFDKRDWDK-TZMCWYRMSA-N 1 1 324.377 1.427 20 5 DDBDMO O=C1CC2(CCC2)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000880167214 706898544 /nfs/dbraw/zinc/89/85/44/706898544.db2.gz NSPMUEQISPZCOP-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000880167214 706898545 /nfs/dbraw/zinc/89/85/45/706898545.db2.gz NSPMUEQISPZCOP-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](CF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880297007 706932110 /nfs/dbraw/zinc/93/21/10/706932110.db2.gz IQHYOJSFNOSNNZ-LLVKDONJSA-N 1 1 307.325 1.775 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](CF)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880297007 706932113 /nfs/dbraw/zinc/93/21/13/706932113.db2.gz IQHYOJSFNOSNNZ-LLVKDONJSA-N 1 1 307.325 1.775 20 5 DDBDMO C[C@H](NCC[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078885 707288956 /nfs/dbraw/zinc/28/89/56/707288956.db2.gz UACHEWDQYLIHRK-NSHDSACASA-N 1 1 311.357 1.841 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000882491639 707662575 /nfs/dbraw/zinc/66/25/75/707662575.db2.gz KDIDIKQXPHSANY-LBPRGKRZSA-N 1 1 307.350 1.736 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000883078284 707919611 /nfs/dbraw/zinc/91/96/11/707919611.db2.gz MDWNEQRMTNDDAZ-CQSZACIVSA-N 1 1 321.381 1.400 20 5 DDBDMO CC(C)(CCC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)[N+](=O)[O-] ZINC000838904356 708000411 /nfs/dbraw/zinc/00/04/11/708000411.db2.gz KARHLDRGQXXECQ-TXEJJXNPSA-N 1 1 300.355 1.228 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000883896428 708078089 /nfs/dbraw/zinc/07/80/89/708078089.db2.gz PDJDVDXFZOORNF-ZDUSSCGKSA-N 1 1 318.377 1.757 20 5 DDBDMO CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@H+](C)CC1 ZINC000897094824 708228513 /nfs/dbraw/zinc/22/85/13/708228513.db2.gz XHFSOIQHLQJTTF-UHFFFAOYSA-N 1 1 313.789 1.327 20 5 DDBDMO CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+](C)CC1 ZINC000897094824 708228515 /nfs/dbraw/zinc/22/85/15/708228515.db2.gz XHFSOIQHLQJTTF-UHFFFAOYSA-N 1 1 313.789 1.327 20 5 DDBDMO C[N@@H+](CCO)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000884824695 708388151 /nfs/dbraw/zinc/38/81/51/708388151.db2.gz IKPUJXGTXCZUOG-UHFFFAOYSA-N 1 1 318.171 1.693 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912598582 713041864 /nfs/dbraw/zinc/04/18/64/713041864.db2.gz HFUOJWITXWUHSM-UHFFFAOYSA-N 1 1 313.329 1.038 20 5 DDBDMO C/C(=C\C(=O)N(C)CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000912605267 713045288 /nfs/dbraw/zinc/04/52/88/713045288.db2.gz LBKRBOFWQWUPJC-OUKQBFOZSA-N 1 1 321.377 1.381 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494037 708657479 /nfs/dbraw/zinc/65/74/79/708657479.db2.gz DICHUNDBUQJFSY-CYBMUJFWSA-N 1 1 309.341 1.687 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494037 708657482 /nfs/dbraw/zinc/65/74/82/708657482.db2.gz DICHUNDBUQJFSY-CYBMUJFWSA-N 1 1 309.341 1.687 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000886267763 708732805 /nfs/dbraw/zinc/73/28/05/708732805.db2.gz UUKJHKCBZYMOLC-UHFFFAOYSA-N 1 1 302.338 1.494 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000886297667 708738006 /nfs/dbraw/zinc/73/80/06/708738006.db2.gz XDYGBMJOSWHDMD-AWEZNQCLSA-N 1 1 321.377 1.743 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000886319783 708741941 /nfs/dbraw/zinc/74/19/41/708741941.db2.gz OYSOHBICXLZFGC-ZDUSSCGKSA-N 1 1 307.350 1.353 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000886319783 708741942 /nfs/dbraw/zinc/74/19/42/708741942.db2.gz OYSOHBICXLZFGC-ZDUSSCGKSA-N 1 1 307.350 1.353 20 5 DDBDMO O=c1c2c(ncn1CC[N+](=O)[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000899881780 709225268 /nfs/dbraw/zinc/22/52/68/709225268.db2.gz QGMPLFBWWQKTGF-UHFFFAOYSA-N 1 1 314.345 1.078 20 5 DDBDMO O=c1c2c(ncn1CC[N+](=O)[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000899881780 709225270 /nfs/dbraw/zinc/22/52/70/709225270.db2.gz QGMPLFBWWQKTGF-UHFFFAOYSA-N 1 1 314.345 1.078 20 5 DDBDMO COc1c(O)ccc(CN2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000892056067 710362376 /nfs/dbraw/zinc/36/23/76/710362376.db2.gz NPVQCJORULDFNV-UHFFFAOYSA-N 1 1 309.366 1.835 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000928448251 713201267 /nfs/dbraw/zinc/20/12/67/713201267.db2.gz NDLDEHRKIAFMMD-PWSUYJOCSA-N 1 1 309.370 1.007 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000894077870 710954233 /nfs/dbraw/zinc/95/42/33/710954233.db2.gz VZYWLAIJTGDCMP-TXEJJXNPSA-N 1 1 308.338 1.274 20 5 DDBDMO COc1c(O)ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000894082801 710957572 /nfs/dbraw/zinc/95/75/72/710957572.db2.gz IJMZSSJXXBZCNA-TXEJJXNPSA-N 1 1 307.350 1.302 20 5 DDBDMO [NH3+]CC1([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000903813080 711288833 /nfs/dbraw/zinc/28/88/33/711288833.db2.gz YOGVGNFOWXDUAV-AWEZNQCLSA-N 1 1 307.398 1.775 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccncc3)CC2)nc1 ZINC000894839978 711291950 /nfs/dbraw/zinc/29/19/50/711291950.db2.gz MJAHUNMHIVWIOC-UHFFFAOYSA-N 1 1 314.349 1.145 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000894879258 711306180 /nfs/dbraw/zinc/30/61/80/711306180.db2.gz SVRWYPUVSOLQSB-OCAPTIKFSA-N 1 1 319.287 1.630 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000894879258 711306182 /nfs/dbraw/zinc/30/61/82/711306182.db2.gz SVRWYPUVSOLQSB-OCAPTIKFSA-N 1 1 319.287 1.630 20 5 DDBDMO Cc1[nH+]ccn1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000895115542 711420092 /nfs/dbraw/zinc/42/00/92/711420092.db2.gz OHIBENUHVCLOEV-UHFFFAOYSA-N 1 1 318.259 1.964 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546379 713253045 /nfs/dbraw/zinc/25/30/45/713253045.db2.gz OMRCSBCYJJPTKK-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546379 713253047 /nfs/dbraw/zinc/25/30/47/713253047.db2.gz OMRCSBCYJJPTKK-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895570473 711545866 /nfs/dbraw/zinc/54/58/66/711545866.db2.gz UMDURPGDSTZAHN-NEPJUHHUSA-N 1 1 324.406 1.990 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895570473 711545869 /nfs/dbraw/zinc/54/58/69/711545869.db2.gz UMDURPGDSTZAHN-NEPJUHHUSA-N 1 1 324.406 1.990 20 5 DDBDMO C[N@H+]1CCC[C@@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000917605651 713506359 /nfs/dbraw/zinc/50/63/59/713506359.db2.gz IDPRGSNBKIORPI-SNVBAGLBSA-N 1 1 304.306 1.506 20 5 DDBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930032439 713739933 /nfs/dbraw/zinc/73/99/33/713739933.db2.gz QMTPTTGFHXABAF-VXGBXAGGSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916135 713958217 /nfs/dbraw/zinc/95/82/17/713958217.db2.gz NJSYFAHHVAZXLF-TYNCELHUSA-N 1 1 321.377 1.948 20 5 DDBDMO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044511 713989641 /nfs/dbraw/zinc/98/96/41/713989641.db2.gz NNODNCYMAIEMTG-SWLSCSKDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044511 713989642 /nfs/dbraw/zinc/98/96/42/713989642.db2.gz NNODNCYMAIEMTG-SWLSCSKDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459849 714102814 /nfs/dbraw/zinc/10/28/14/714102814.db2.gz BEZZIGKDRYGVHU-HZMBPMFUSA-N 1 1 302.334 1.971 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459849 714102816 /nfs/dbraw/zinc/10/28/16/714102816.db2.gz BEZZIGKDRYGVHU-HZMBPMFUSA-N 1 1 302.334 1.971 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCn2cc[nH+]c21 ZINC000931525151 714119383 /nfs/dbraw/zinc/11/93/83/714119383.db2.gz YCIZNKKFQLBXEI-JTQLQIEISA-N 1 1 301.306 1.639 20 5 DDBDMO O=[N+]([O-])CC[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000931683685 714159932 /nfs/dbraw/zinc/15/99/32/714159932.db2.gz FEKKQVRWIABIQQ-TXEJJXNPSA-N 1 1 315.167 1.665 20 5 DDBDMO O=C1N[C@H](C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)CO1 ZINC000932770794 714410126 /nfs/dbraw/zinc/41/01/26/714410126.db2.gz RBZKDDOYIGFPHH-LBPRGKRZSA-N 1 1 306.322 1.310 20 5 DDBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000923910120 714488247 /nfs/dbraw/zinc/48/82/47/714488247.db2.gz JLDIKBRDZCQZHY-DGCLKSJQSA-N 1 1 306.366 1.795 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000933080067 714513329 /nfs/dbraw/zinc/51/33/29/714513329.db2.gz TVUDACMCZPHONK-CQSZACIVSA-N 1 1 308.382 1.930 20 5 DDBDMO CC(C)(CCc1noc([C@@H]2C[N@H+]3CCC[C@H]3CO2)n1)[N+](=O)[O-] ZINC000924079309 714522069 /nfs/dbraw/zinc/52/20/69/714522069.db2.gz UPRLWAYAHFVBOW-QWRGUYRKSA-N 1 1 310.354 1.593 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933779685 714669896 /nfs/dbraw/zinc/66/98/96/714669896.db2.gz PRHLHTOMOUSNOY-ZDUSSCGKSA-N 1 1 323.397 1.290 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000934257582 714777175 /nfs/dbraw/zinc/77/71/75/714777175.db2.gz AMTVHBOVCKWFIH-JKSUJKDBSA-N 1 1 323.368 1.765 20 5 DDBDMO Nc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164773635 721291321 /nfs/dbraw/zinc/29/13/21/721291321.db2.gz SJWQWQQGKYPKDA-UHFFFAOYSA-N 1 1 303.366 1.494 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ncc1NCc1ccc(N)[nH+]c1C ZINC001167787339 738553815 /nfs/dbraw/zinc/55/38/15/738553815.db2.gz VWXUZOUAOVOQRJ-UHFFFAOYSA-N 1 1 317.305 1.674 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063747 734368135 /nfs/dbraw/zinc/36/81/35/734368135.db2.gz LCCRMVDPWWDFJC-WRWGMCAJSA-N 1 1 324.768 1.137 20 5 DDBDMO CCC(CO)(CO)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001167972684 740321446 /nfs/dbraw/zinc/32/14/46/740321446.db2.gz WHERLUCDXUHWLN-UHFFFAOYSA-N 1 1 309.366 1.128 20 5 DDBDMO CCC(CO)(CO)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001167972684 740321447 /nfs/dbraw/zinc/32/14/47/740321447.db2.gz WHERLUCDXUHWLN-UHFFFAOYSA-N 1 1 309.366 1.128 20 5 DDBDMO COc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1C ZINC001129186402 751564725 /nfs/dbraw/zinc/56/47/25/751564725.db2.gz WNAXXCHLRWVNTJ-RISCZKNCSA-N 1 1 319.361 1.688 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001186881359 744458511 /nfs/dbraw/zinc/45/85/11/744458511.db2.gz NZKVDOUEJNUZSI-NSHDSACASA-N 1 1 309.370 1.018 20 5 DDBDMO CCOc1cc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC001198755067 747599887 /nfs/dbraw/zinc/59/98/87/747599887.db2.gz XGCAVCLQPDNHCO-KBPBESRZSA-N 1 1 324.377 1.416 20 5 DDBDMO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000996439032 749573955 /nfs/dbraw/zinc/57/39/55/749573955.db2.gz AOJRNNHZSISQPV-CHWSQXEVSA-N 1 1 324.406 1.197 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017585 762197714 /nfs/dbraw/zinc/19/77/14/762197714.db2.gz AQTYZTMBLRVMQE-RDBSUJKOSA-N 1 1 322.409 1.801 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017585 762197717 /nfs/dbraw/zinc/19/77/17/762197717.db2.gz AQTYZTMBLRVMQE-RDBSUJKOSA-N 1 1 322.409 1.801 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000823484734 758319035 /nfs/dbraw/zinc/31/90/35/758319035.db2.gz SFZZBUBMNIXGRJ-HUUCEWRRSA-N 1 1 321.381 1.294 20 5 DDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000829037763 759863844 /nfs/dbraw/zinc/86/38/44/759863844.db2.gz MIXZTHJYWZHKFB-HZMBPMFUSA-N 1 1 324.356 1.098 20 5 DDBDMO Cc1cnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086363446 761493231 /nfs/dbraw/zinc/49/32/31/761493231.db2.gz VCLQPLJKFNVJIF-DDHJBXDOSA-N 1 1 324.406 1.101 20 5 DDBDMO CC[N+](C)(C)Cc1ccccc1-n1[n-]c(=O)c(CC[NH3+])c1C ZINC001170339030 766272989 /nfs/dbraw/zinc/27/29/89/766272989.db2.gz DJZBJNGWGWASRD-UHFFFAOYSA-O 1 1 303.430 1.984 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170346449 766277300 /nfs/dbraw/zinc/27/73/00/766277300.db2.gz NOIUMFORBYBZMH-LBPRGKRZSA-N 1 1 321.377 1.699 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCCN(C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001170346449 766277304 /nfs/dbraw/zinc/27/73/04/766277304.db2.gz NOIUMFORBYBZMH-LBPRGKRZSA-N 1 1 321.377 1.699 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCC(=O)N(C)CC2)c([N+](=O)[O-])c1 ZINC001170347576 766278098 /nfs/dbraw/zinc/27/80/98/766278098.db2.gz RZWVFLNUKQKILS-GFCCVEGCSA-N 1 1 321.377 1.699 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001130849250 767764304 /nfs/dbraw/zinc/76/43/04/767764304.db2.gz ACFAKFZLHQEGHY-UHFFFAOYSA-N 1 1 306.234 1.614 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093952873 775260403 /nfs/dbraw/zinc/26/04/03/775260403.db2.gz OXWPLZJAVZTEST-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173227205 777062205 /nfs/dbraw/zinc/06/22/05/777062205.db2.gz OJTNPPXIAJJMPZ-BXUZGUMPSA-N 1 1 312.391 1.645 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173227205 777062209 /nfs/dbraw/zinc/06/22/09/777062209.db2.gz OJTNPPXIAJJMPZ-BXUZGUMPSA-N 1 1 312.391 1.645 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC001173228941 777062618 /nfs/dbraw/zinc/06/26/18/777062618.db2.gz OEOMBOWKGFHWOD-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001173235436 777064495 /nfs/dbraw/zinc/06/44/95/777064495.db2.gz WYJLKJHLROVBGX-XJKSGUPXSA-N 1 1 319.405 1.931 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266560707 836470365 /nfs/dbraw/zinc/47/03/65/836470365.db2.gz TYYOVWVAFOWARY-HUUCEWRRSA-N 1 1 323.368 1.819 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266560707 836470373 /nfs/dbraw/zinc/47/03/73/836470373.db2.gz TYYOVWVAFOWARY-HUUCEWRRSA-N 1 1 323.368 1.819 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266560707 836470380 /nfs/dbraw/zinc/47/03/80/836470380.db2.gz TYYOVWVAFOWARY-HUUCEWRRSA-N 1 1 323.368 1.819 20 5 DDBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)F ZINC001268230587 839863104 /nfs/dbraw/zinc/86/31/04/839863104.db2.gz ZOEYXMMAMKCDMN-UHFFFAOYSA-N 1 1 301.293 1.750 20 5 DDBDMO COc1cnc(NCC2(N(C)C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001156181484 862787367 /nfs/dbraw/zinc/78/73/67/862787367.db2.gz CXISZOQVXIAKBR-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157691011 864050738 /nfs/dbraw/zinc/05/07/38/864050738.db2.gz NJUMNMCTVBXSDF-PHIMTYICSA-N 1 1 321.337 1.676 20 5 DDBDMO [NH3+]Cc1ncn(-c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])n1 ZINC001157931776 864279026 /nfs/dbraw/zinc/27/90/26/864279026.db2.gz ZCBUWMOUHOJLSG-UHFFFAOYSA-N 1 1 304.697 1.836 20 5 DDBDMO Cc1ccc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)c(N)c1[N+](=O)[O-] ZINC001158232508 864505956 /nfs/dbraw/zinc/50/59/56/864505956.db2.gz XHUZQQJAFFFPNI-NSHDSACASA-N 1 1 322.365 1.392 20 5 DDBDMO CC[N@H+]1CCN(c2nc(OC)nc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562387 864728972 /nfs/dbraw/zinc/72/89/72/864728972.db2.gz AOPAQXMHJDSPRL-UHFFFAOYSA-N 1 1 309.370 1.622 20 5 DDBDMO COC(=O)C[C@H](C)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160534753 865919861 /nfs/dbraw/zinc/91/98/61/865919861.db2.gz YKNYEFPCUBNUJP-PORFMDCZSA-N 1 1 308.338 1.886 20 5 DDBDMO Nc1cc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160724729 866074313 /nfs/dbraw/zinc/07/43/13/866074313.db2.gz MPNNEKLYBHRDQP-NEPJUHHUSA-N 1 1 307.354 1.237 20 5 DDBDMO CCOc1nc(N2CCC(F)(F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164323939 869129229 /nfs/dbraw/zinc/12/92/29/869129229.db2.gz PLGJCPYLYUSQDO-SECBINFHSA-N 1 1 302.281 1.561 20 5 DDBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)n1 ZINC001166032645 869809498 /nfs/dbraw/zinc/80/94/98/869809498.db2.gz MGIRMJPTTVNRFZ-UHFFFAOYSA-N 1 1 320.353 1.328 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339266726 870429691 /nfs/dbraw/zinc/42/96/91/870429691.db2.gz VXWKGQCZUCTSJX-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C(CO)CO)cs2)c1 ZINC001339511013 870533919 /nfs/dbraw/zinc/53/39/19/870533919.db2.gz ZHROLTYVBDKRET-UHFFFAOYSA-N 1 1 309.347 1.161 20 5 DDBDMO O=C1N[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001307906489 871459631 /nfs/dbraw/zinc/45/96/31/871459631.db2.gz XVJIOYUVBHCPAF-YUTCNCBUSA-N 1 1 321.333 1.059 20 5 DDBDMO COc1c(O)ccc(C[NH2+]CCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC001205340703 871502606 /nfs/dbraw/zinc/50/26/06/871502606.db2.gz HVYQKITVOWDKTM-UHFFFAOYSA-N 1 1 307.310 1.068 20 5 DDBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1=CCCCC1 ZINC001316824328 872119898 /nfs/dbraw/zinc/11/98/98/872119898.db2.gz XBUXAGFUXAXUHH-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1=CCCCC1 ZINC001316824328 872119904 /nfs/dbraw/zinc/11/99/04/872119904.db2.gz XBUXAGFUXAXUHH-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1=CCCCC1 ZINC001316824328 872119909 /nfs/dbraw/zinc/11/99/09/872119909.db2.gz XBUXAGFUXAXUHH-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO O=[N+]([O-])c1sc(C[NH2+][C@@H]2COC[C@@H]2O)cc1Br ZINC001207067533 872975919 /nfs/dbraw/zinc/97/59/19/872975919.db2.gz PYRZNMLQNHRIAI-SFYZADRCSA-N 1 1 323.168 1.268 20 5 DDBDMO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001345719706 873488507 /nfs/dbraw/zinc/48/85/07/873488507.db2.gz PHZLXQIRIZAJEB-BXUZGUMPSA-N 1 1 321.381 1.351 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H]1C[N@@H+](C)CCN1C ZINC001348311189 874476337 /nfs/dbraw/zinc/47/63/37/874476337.db2.gz GOTGLUQOPDFAET-JOYOIKCWSA-N 1 1 311.361 1.362 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001355171690 878452367 /nfs/dbraw/zinc/45/23/67/878452367.db2.gz PIISSVFQHQWITE-RAIGVLPGSA-N 1 1 319.361 1.673 20 5 DDBDMO C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584224 879114182 /nfs/dbraw/zinc/11/41/82/879114182.db2.gz NDXCLLYAJIYGRM-UONOGXRCSA-N 1 1 323.393 1.266 20 5 DDBDMO CN1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584224 879114197 /nfs/dbraw/zinc/11/41/97/879114197.db2.gz NDXCLLYAJIYGRM-UONOGXRCSA-N 1 1 323.393 1.266 20 5 DDBDMO CC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114967 880837666 /nfs/dbraw/zinc/83/76/66/880837666.db2.gz ZAJOYXORAKBQMW-LPUOJRKPSA-N 1 1 309.410 1.836 20 5 DDBDMO COc1ccc(COCC[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001223515020 880986933 /nfs/dbraw/zinc/98/69/33/880986933.db2.gz CGUQSKOEGZKNJA-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO C[N@@H+]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228602605 883569173 /nfs/dbraw/zinc/56/91/73/883569173.db2.gz CTZMOUBNRQHSCX-JTQLQIEISA-N 1 1 308.338 1.831 20 5 DDBDMO C[N@H+]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228602605 883569186 /nfs/dbraw/zinc/56/91/86/883569186.db2.gz CTZMOUBNRQHSCX-JTQLQIEISA-N 1 1 308.338 1.831 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCC[N@H+](C)C2)cc1O ZINC001228812489 883685214 /nfs/dbraw/zinc/68/52/14/883685214.db2.gz WRPNASMTPGDRAU-VIFPVBQESA-N 1 1 310.306 1.560 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C)C2)cc1O ZINC001228812489 883685217 /nfs/dbraw/zinc/68/52/17/883685217.db2.gz WRPNASMTPGDRAU-VIFPVBQESA-N 1 1 310.306 1.560 20 5 DDBDMO C[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC001234382749 887924391 /nfs/dbraw/zinc/92/43/91/887924391.db2.gz ZYWSCGAPRWUVHN-UHFFFAOYSA-N 1 1 323.378 1.631 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cn[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC001234382749 887924400 /nfs/dbraw/zinc/92/44/00/887924400.db2.gz ZYWSCGAPRWUVHN-UHFFFAOYSA-N 1 1 323.378 1.631 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001246594612 892718444 /nfs/dbraw/zinc/71/84/44/892718444.db2.gz KFIOQPSMWNEITA-AWEZNQCLSA-N 1 1 318.421 1.553 20 5 DDBDMO CN(C)C(=O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478461 896456424 /nfs/dbraw/zinc/45/64/24/896456424.db2.gz DZWVOSJIQQPZSD-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO CN(C)C1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254475718 896456829 /nfs/dbraw/zinc/45/68/29/896456829.db2.gz ILYMBNICETVOSE-UHFFFAOYSA-N 1 1 304.394 1.809 20 5 DDBDMO CCN(CC)CCNC(=[NH2+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590336 896522543 /nfs/dbraw/zinc/52/25/43/896522543.db2.gz VNXSGGIQSWCUNX-CQSZACIVSA-N 1 1 319.409 1.518 20 5 DDBDMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457351 231101825 /nfs/dbraw/zinc/10/18/25/231101825.db2.gz MGWQVHCBVYCNJO-GXFFZTMASA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457351 231101829 /nfs/dbraw/zinc/10/18/29/231101829.db2.gz MGWQVHCBVYCNJO-GXFFZTMASA-N 1 1 318.333 1.990 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083171493 185215977 /nfs/dbraw/zinc/21/59/77/185215977.db2.gz RPTCWWAGXLJOFU-JTQLQIEISA-N 1 1 318.333 1.694 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083171493 185215978 /nfs/dbraw/zinc/21/59/78/185215978.db2.gz RPTCWWAGXLJOFU-JTQLQIEISA-N 1 1 318.333 1.694 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1[N+](=O)[O-] ZINC000452347341 231356043 /nfs/dbraw/zinc/35/60/43/231356043.db2.gz IJRNFIFWSIMFQX-GFCCVEGCSA-N 1 1 307.350 1.171 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000615494263 362306408 /nfs/dbraw/zinc/30/64/08/362306408.db2.gz KKPFVOVWNJLZPM-NSHDSACASA-N 1 1 318.377 1.627 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000615494263 362306414 /nfs/dbraw/zinc/30/64/14/362306414.db2.gz KKPFVOVWNJLZPM-NSHDSACASA-N 1 1 318.377 1.627 20 5 DDBDMO Cn1cncc1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000459494904 233246515 /nfs/dbraw/zinc/24/65/15/233246515.db2.gz CPPDXMURUDLUOU-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO Cn1cncc1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000459494904 233246518 /nfs/dbraw/zinc/24/65/18/233246518.db2.gz CPPDXMURUDLUOU-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO Cn1c[nH+]cc1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000459494904 233246520 /nfs/dbraw/zinc/24/65/20/233246520.db2.gz CPPDXMURUDLUOU-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768361 186111171 /nfs/dbraw/zinc/11/11/71/186111171.db2.gz KCTHFDRRDGIYLI-VXGBXAGGSA-N 1 1 321.381 1.193 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191861933 186265955 /nfs/dbraw/zinc/26/59/55/186265955.db2.gz OJFRGCZHTJFZLT-CQDKDKBSSA-N 1 1 322.361 1.759 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042310029 352333598 /nfs/dbraw/zinc/33/35/98/352333598.db2.gz ITJQBGPHMNDZQD-UHFFFAOYSA-N 1 1 310.354 1.685 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000173524144 198224040 /nfs/dbraw/zinc/22/40/40/198224040.db2.gz BULXVFVRKWFWRH-ZDUSSCGKSA-N 1 1 323.374 1.230 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000174640991 198363504 /nfs/dbraw/zinc/36/35/04/198363504.db2.gz VSIJKAZEWZWZIM-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174652763 198365210 /nfs/dbraw/zinc/36/52/10/198365210.db2.gz YAOKINDJNBLLEI-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269950 353410533 /nfs/dbraw/zinc/41/05/33/353410533.db2.gz HTWMMQAEQGMHMV-JTQLQIEISA-N 1 1 308.386 1.889 20 5 DDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000078662019 353527206 /nfs/dbraw/zinc/52/72/06/353527206.db2.gz XYSVISAGKFEPFA-AWEZNQCLSA-N 1 1 314.313 1.792 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141334075 354139764 /nfs/dbraw/zinc/13/97/64/354139764.db2.gz QPGTWFYDGVCWEJ-CYBMUJFWSA-N 1 1 318.377 1.703 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357228404 291022149 /nfs/dbraw/zinc/02/21/49/291022149.db2.gz XFPYEENAMHGNRT-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293056331 354453120 /nfs/dbraw/zinc/45/31/20/354453120.db2.gz IFHQJXOLRKTUPR-ZIAGYGMSSA-N 1 1 324.377 1.429 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(OC)CC1 ZINC000401764576 354667225 /nfs/dbraw/zinc/66/72/25/354667225.db2.gz XOGPCVDLECFUCM-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C)(O)CC2)c1 ZINC000589502524 354996666 /nfs/dbraw/zinc/99/66/66/354996666.db2.gz ZNEOVBFESQAKJD-UHFFFAOYSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000589515641 354998869 /nfs/dbraw/zinc/99/88/69/354998869.db2.gz VSPOUUDQKKFIQC-HNNXBMFYSA-N 1 1 321.333 1.079 20 5 DDBDMO COc1ccc(OCCN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000590010309 355039128 /nfs/dbraw/zinc/03/91/28/355039128.db2.gz AUZNHXZRCRARHM-IUODEOHRSA-N 1 1 321.377 1.618 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011104 355040614 /nfs/dbraw/zinc/04/06/14/355040614.db2.gz HUKWCDIBACTPPT-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011104 355040618 /nfs/dbraw/zinc/04/06/18/355040618.db2.gz HUKWCDIBACTPPT-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011104 355040620 /nfs/dbraw/zinc/04/06/20/355040620.db2.gz HUKWCDIBACTPPT-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590443743 355097236 /nfs/dbraw/zinc/09/72/36/355097236.db2.gz GYHRDEWGBRZYHY-GXFFZTMASA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590446349 355099212 /nfs/dbraw/zinc/09/92/12/355099212.db2.gz UTPAZNMRFOSNOL-BXUZGUMPSA-N 1 1 321.402 1.849 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590446506 355099579 /nfs/dbraw/zinc/09/95/79/355099579.db2.gz VZFCVKRQXNRXCN-ZWNOBZJWSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000591510739 355322829 /nfs/dbraw/zinc/32/28/29/355322829.db2.gz GADNKSURVSCSTA-DOMZBBRYSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000591510739 355322832 /nfs/dbraw/zinc/32/28/32/355322832.db2.gz GADNKSURVSCSTA-DOMZBBRYSA-N 1 1 321.377 1.661 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205586 355536703 /nfs/dbraw/zinc/53/67/03/355536703.db2.gz DBOWGBVAMPIWTL-SUHUHFCYSA-N 1 1 308.334 1.512 20 5 DDBDMO CCCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592831709 355707235 /nfs/dbraw/zinc/70/72/35/355707235.db2.gz NVTPHJANTDJFSQ-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592833286 355707852 /nfs/dbraw/zinc/70/78/52/355707852.db2.gz YDOAFEHLTXJVQI-LLVKDONJSA-N 1 1 309.370 1.193 20 5 DDBDMO Cc1c(C[NH+]2CCN(c3nncn3C)CC2)cccc1[N+](=O)[O-] ZINC000594023365 356092142 /nfs/dbraw/zinc/09/21/42/356092142.db2.gz RCZDTIOGUHWJBZ-UHFFFAOYSA-N 1 1 316.365 1.354 20 5 DDBDMO C[C@@H](O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063571 356103368 /nfs/dbraw/zinc/10/33/68/356103368.db2.gz IGXQALUFLNGGLL-YPMHNXCESA-N 1 1 310.350 1.180 20 5 DDBDMO [NH3+]C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451007 356221959 /nfs/dbraw/zinc/22/19/59/356221959.db2.gz BADXGXNJNRDOAT-QMMMGPOBSA-N 1 1 317.227 1.091 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000594356921 356181861 /nfs/dbraw/zinc/18/18/61/356181861.db2.gz XWTLIYXDRDXVDU-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595455199 356499305 /nfs/dbraw/zinc/49/93/05/356499305.db2.gz SZGRDZWJLBSSLX-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO Cc1noc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000595470672 356506215 /nfs/dbraw/zinc/50/62/15/356506215.db2.gz OOLHOPPVYITOGS-SNVBAGLBSA-N 1 1 312.370 1.168 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744990 356631943 /nfs/dbraw/zinc/63/19/43/356631943.db2.gz XPLWGVKCKBYEPX-ZFWWWQNUSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595755405 356636925 /nfs/dbraw/zinc/63/69/25/356636925.db2.gz ADXYPANMRDXJOW-HSMVNMDESA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595755460 356637079 /nfs/dbraw/zinc/63/70/79/356637079.db2.gz ARLLWCNSJQONHQ-HSMVNMDESA-N 1 1 319.361 1.890 20 5 DDBDMO COc1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595758784 356640687 /nfs/dbraw/zinc/64/06/87/356640687.db2.gz GFBHKFWVFRKAAW-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595758784 356640691 /nfs/dbraw/zinc/64/06/91/356640691.db2.gz GFBHKFWVFRKAAW-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835873 356671449 /nfs/dbraw/zinc/67/14/49/356671449.db2.gz WKBHXUJLEKVTOH-UPJWGTAASA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595835873 356671451 /nfs/dbraw/zinc/67/14/51/356671451.db2.gz WKBHXUJLEKVTOH-UPJWGTAASA-N 1 1 319.361 1.890 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862324 356682232 /nfs/dbraw/zinc/68/22/32/356682232.db2.gz ABRWVQKIENSLEF-OAHLLOKOSA-N 1 1 305.378 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595870478 356685838 /nfs/dbraw/zinc/68/58/38/356685838.db2.gz GOPXMXZZUOLHPO-BLLLJJGKSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595870478 356685843 /nfs/dbraw/zinc/68/58/43/356685843.db2.gz GOPXMXZZUOLHPO-BLLLJJGKSA-N 1 1 321.377 1.792 20 5 DDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCC1 ZINC000596113677 356776459 /nfs/dbraw/zinc/77/64/59/356776459.db2.gz WITGCBJVNDQDOS-UHFFFAOYSA-N 1 1 306.366 1.980 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(CO)CCC1 ZINC000597255915 357111427 /nfs/dbraw/zinc/11/14/27/357111427.db2.gz QHHMIAYMHFGGSR-UHFFFAOYSA-N 1 1 308.334 1.713 20 5 DDBDMO C[NH+]1CCC2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597667066 357275758 /nfs/dbraw/zinc/27/57/58/357275758.db2.gz PJKXIABWZDDMGF-UHFFFAOYSA-N 1 1 319.361 1.858 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854986 357358723 /nfs/dbraw/zinc/35/87/23/357358723.db2.gz OKXKFGMGCKTLCM-LBPRGKRZSA-N 1 1 323.397 1.336 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598041304 357439456 /nfs/dbraw/zinc/43/94/56/357439456.db2.gz KXPMKQFSDROYJG-LBPRGKRZSA-N 1 1 306.366 1.855 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000598536783 357624874 /nfs/dbraw/zinc/62/48/74/357624874.db2.gz WUTRGHKMUDAZFS-VHSXEESVSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598651507 357671892 /nfs/dbraw/zinc/67/18/92/357671892.db2.gz UPHUJDLSXVWQQV-VXGBXAGGSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598651507 357671893 /nfs/dbraw/zinc/67/18/93/357671893.db2.gz UPHUJDLSXVWQQV-VXGBXAGGSA-N 1 1 307.350 1.484 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)ccc2ncccc21 ZINC000599200089 357847843 /nfs/dbraw/zinc/84/78/43/357847843.db2.gz WGSDGHSEHAUOEJ-NSHDSACASA-N 1 1 302.334 1.622 20 5 DDBDMO COC(=O)c1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)nc1 ZINC000599443442 357939342 /nfs/dbraw/zinc/93/93/42/357939342.db2.gz OHMBEDCIORXHGH-UHFFFAOYSA-N 1 1 319.321 1.105 20 5 DDBDMO COC(=O)c1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)nc1 ZINC000599443442 357939346 /nfs/dbraw/zinc/93/93/46/357939346.db2.gz OHMBEDCIORXHGH-UHFFFAOYSA-N 1 1 319.321 1.105 20 5 DDBDMO NC(=O)[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000274563508 283327616 /nfs/dbraw/zinc/32/76/16/283327616.db2.gz BSVUJJSGNQSMQH-VIFPVBQESA-N 1 1 319.148 1.165 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937113 358085367 /nfs/dbraw/zinc/08/53/67/358085367.db2.gz DTRFOQPGDIQBCH-GXTWGEPZSA-N 1 1 323.324 1.015 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000600470444 358233345 /nfs/dbraw/zinc/23/33/45/358233345.db2.gz OLHOWSIOBMQLBC-GFCCVEGCSA-N 1 1 321.381 1.558 20 5 DDBDMO CC(C)(C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600808061 358320087 /nfs/dbraw/zinc/32/00/87/358320087.db2.gz HGSVJSABEVBWLB-LBPRGKRZSA-N 1 1 321.377 1.055 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808832 358320854 /nfs/dbraw/zinc/32/08/54/358320854.db2.gz SNTFYKWADJIZEK-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000600961041 358358112 /nfs/dbraw/zinc/35/81/12/358358112.db2.gz KNTAYIQEUZCXLB-GXTWGEPZSA-N 1 1 320.393 1.853 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601116395 358408914 /nfs/dbraw/zinc/40/89/14/358408914.db2.gz SRTNPSPZUYDANU-UHFFFAOYSA-N 1 1 311.361 1.203 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601104428 358403733 /nfs/dbraw/zinc/40/37/33/358403733.db2.gz WWDZEUPYCPSULY-UHFFFAOYSA-N 1 1 318.377 1.945 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)[C@@H]3CCCO3)c2c1 ZINC000601201015 358445198 /nfs/dbraw/zinc/44/51/98/358445198.db2.gz JVICIHBNMZFSBM-CABCVRRESA-N 1 1 303.318 1.517 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](O)[C@@H](CO)C3)c2c1 ZINC000601175511 358433978 /nfs/dbraw/zinc/43/39/78/358433978.db2.gz ICHDYARWBKHATG-BMIGLBTASA-N 1 1 303.318 1.323 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181066825 199247873 /nfs/dbraw/zinc/24/78/73/199247873.db2.gz VQYLMASHKWVQSF-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601973316 358760067 /nfs/dbraw/zinc/76/00/67/358760067.db2.gz JXZYDIMZPRFWOS-BETUJISGSA-N 1 1 317.345 1.062 20 5 DDBDMO Cn1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602469223 358999618 /nfs/dbraw/zinc/99/96/18/358999618.db2.gz CCAIRXUVDGXJEG-CQSZACIVSA-N 1 1 304.350 1.884 20 5 DDBDMO Cn1cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602469223 358999621 /nfs/dbraw/zinc/99/96/21/358999621.db2.gz CCAIRXUVDGXJEG-CQSZACIVSA-N 1 1 304.350 1.884 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681232 359122367 /nfs/dbraw/zinc/12/23/67/359122367.db2.gz MWKSYFYJSHXJTO-CBAPKCEASA-N 1 1 308.260 1.073 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602681232 359122369 /nfs/dbraw/zinc/12/23/69/359122369.db2.gz MWKSYFYJSHXJTO-CBAPKCEASA-N 1 1 308.260 1.073 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c([N+](=O)[O-])n1 ZINC000602693556 359129336 /nfs/dbraw/zinc/12/93/36/359129336.db2.gz NSTRNYKTRWDNCQ-CYBMUJFWSA-N 1 1 321.381 1.305 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c([N+](=O)[O-])n1 ZINC000602693556 359129341 /nfs/dbraw/zinc/12/93/41/359129341.db2.gz NSTRNYKTRWDNCQ-CYBMUJFWSA-N 1 1 321.381 1.305 20 5 DDBDMO Cn1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839134 359228411 /nfs/dbraw/zinc/22/84/11/359228411.db2.gz HIYUBLTVPDNQLB-ZIAGYGMSSA-N 1 1 302.334 1.636 20 5 DDBDMO Cn1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839134 359228417 /nfs/dbraw/zinc/22/84/17/359228417.db2.gz HIYUBLTVPDNQLB-ZIAGYGMSSA-N 1 1 302.334 1.636 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000602809093 359205523 /nfs/dbraw/zinc/20/55/23/359205523.db2.gz YQXRPXUYBIQSKX-SNVBAGLBSA-N 1 1 304.297 1.803 20 5 DDBDMO CCCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000602961592 359325230 /nfs/dbraw/zinc/32/52/30/359325230.db2.gz WJTKGAHDVBRHJL-GFCCVEGCSA-N 1 1 321.381 1.668 20 5 DDBDMO C[C@@](CO)([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602963660 359326352 /nfs/dbraw/zinc/32/63/52/359326352.db2.gz YDAQMWLWCHBAMW-MNOVXSKESA-N 1 1 308.256 1.315 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000603143286 359432613 /nfs/dbraw/zinc/43/26/13/359432613.db2.gz SFFPBBSFUOOGHG-GFCCVEGCSA-N 1 1 322.365 1.498 20 5 DDBDMO CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000603397051 359614802 /nfs/dbraw/zinc/61/48/02/359614802.db2.gz JLXYIIWSUFYJGA-CHWSQXEVSA-N 1 1 306.366 1.901 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000186944729 200035439 /nfs/dbraw/zinc/03/54/39/200035439.db2.gz OCWBEPSFWGQKRI-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186858850 200023630 /nfs/dbraw/zinc/02/36/30/200023630.db2.gz XQEUANFUPUBRKP-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186977500 200041973 /nfs/dbraw/zinc/04/19/73/200041973.db2.gz OITRLJNFMXHMCS-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186977500 200041976 /nfs/dbraw/zinc/04/19/76/200041976.db2.gz OITRLJNFMXHMCS-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186947643 200036972 /nfs/dbraw/zinc/03/69/72/200036972.db2.gz XEWQADNCSJBFMD-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604267969 359730944 /nfs/dbraw/zinc/73/09/44/359730944.db2.gz KCYGONHABKWOPT-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000609675108 360344284 /nfs/dbraw/zinc/34/42/84/360344284.db2.gz VWRQGXQVULHGDU-ZDUSSCGKSA-N 1 1 305.382 1.206 20 5 DDBDMO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610899190 360566634 /nfs/dbraw/zinc/56/66/34/360566634.db2.gz DTBTYTVAZKCQIQ-MFKMUULPSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899190 360566637 /nfs/dbraw/zinc/56/66/37/360566637.db2.gz DTBTYTVAZKCQIQ-MFKMUULPSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000611712050 360802307 /nfs/dbraw/zinc/80/23/07/360802307.db2.gz UXOZEQZGEUHUMC-IINYFYTJSA-N 1 1 317.349 1.669 20 5 DDBDMO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000611712050 360802310 /nfs/dbraw/zinc/80/23/10/360802310.db2.gz UXOZEQZGEUHUMC-IINYFYTJSA-N 1 1 317.349 1.669 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000612030667 360895425 /nfs/dbraw/zinc/89/54/25/360895425.db2.gz WIWJMUGNOLWRJS-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000579438172 422765251 /nfs/dbraw/zinc/76/52/51/422765251.db2.gz QJAQCVWIDSHYLH-YPMHNXCESA-N 1 1 305.334 1.136 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251943 363945101 /nfs/dbraw/zinc/94/51/01/363945101.db2.gz CBQXYTQMULKXNZ-UONOGXRCSA-N 1 1 307.325 1.853 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619789700 364151642 /nfs/dbraw/zinc/15/16/42/364151642.db2.gz OICQXMJEBNBNDX-GFCCVEGCSA-N 1 1 301.306 1.234 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000619789700 364151647 /nfs/dbraw/zinc/15/16/47/364151647.db2.gz OICQXMJEBNBNDX-GFCCVEGCSA-N 1 1 301.306 1.234 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000566115249 304119968 /nfs/dbraw/zinc/11/99/68/304119968.db2.gz IHSSANDHDBUBME-RDBSUJKOSA-N 1 1 323.393 1.407 20 5 DDBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000275137174 212142865 /nfs/dbraw/zinc/14/28/65/212142865.db2.gz CTVRAGFRSXRFET-SNVBAGLBSA-N 1 1 324.362 1.442 20 5 DDBDMO Cn1nccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534636 193266174 /nfs/dbraw/zinc/26/61/74/193266174.db2.gz JSQHMWIUQHYHNI-NSHDSACASA-N 1 1 302.338 1.410 20 5 DDBDMO Cn1nccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534636 193266176 /nfs/dbraw/zinc/26/61/76/193266176.db2.gz JSQHMWIUQHYHNI-NSHDSACASA-N 1 1 302.338 1.410 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000350596974 284218993 /nfs/dbraw/zinc/21/89/93/284218993.db2.gz IQFYDPRLXVCDFB-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO C[N@@H+](CCCn1ccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271684223 209124862 /nfs/dbraw/zinc/12/48/62/209124862.db2.gz KLFMPZWVTAARAW-HNNXBMFYSA-N 1 1 304.350 1.847 20 5 DDBDMO C[C@H]1C[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000267798276 206288964 /nfs/dbraw/zinc/28/89/64/206288964.db2.gz KNGGUMPOSJYHHJ-UWVGGRQHSA-N 1 1 321.333 1.850 20 5 DDBDMO CC(C)[N@@H+](C[C@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340792997 251215037 /nfs/dbraw/zinc/21/50/37/251215037.db2.gz RSKKZYYRHIROAK-JSGCOSHPSA-N 1 1 312.366 1.426 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000288638563 220312876 /nfs/dbraw/zinc/31/28/76/220312876.db2.gz YYAVODDCDWFQCP-UHFFFAOYSA-N 1 1 308.338 1.591 20 5 DDBDMO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414791101 224395189 /nfs/dbraw/zinc/39/51/89/224395189.db2.gz QGUUDLLZKSNXOM-ZBFHGGJFSA-N 1 1 305.378 1.923 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330923163 533604530 /nfs/dbraw/zinc/60/45/30/533604530.db2.gz SGBLICMNESKOFL-OLZOCXBDSA-N 1 1 320.393 1.630 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c1C ZINC000124196868 292291688 /nfs/dbraw/zinc/29/16/88/292291688.db2.gz RDQNHGODAFJOGK-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000070076666 406808889 /nfs/dbraw/zinc/80/88/89/406808889.db2.gz BSMWHTIWZHNMHJ-GHMZBOCLSA-N 1 1 313.379 1.274 20 5 DDBDMO O=C1NCCCC[C@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010987082 406825799 /nfs/dbraw/zinc/82/57/99/406825799.db2.gz SZAQAKAWNKSOER-OAHLLOKOSA-N 1 1 318.377 1.386 20 5 DDBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000045851958 407050811 /nfs/dbraw/zinc/05/08/11/407050811.db2.gz HWRDMZWKDAJWOC-AWEZNQCLSA-N 1 1 307.398 1.674 20 5 DDBDMO CC[N@@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000049320564 407118161 /nfs/dbraw/zinc/11/81/61/407118161.db2.gz YMNQUBPXKFJLTO-UHFFFAOYSA-N 1 1 301.368 1.362 20 5 DDBDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066498403 407252480 /nfs/dbraw/zinc/25/24/80/407252480.db2.gz ABKXUSBYBPXQNZ-OAHLLOKOSA-N 1 1 321.377 1.820 20 5 DDBDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000066498403 407252482 /nfs/dbraw/zinc/25/24/82/407252482.db2.gz ABKXUSBYBPXQNZ-OAHLLOKOSA-N 1 1 321.377 1.820 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000067709385 407281425 /nfs/dbraw/zinc/28/14/25/407281425.db2.gz MQWUQHRQYJEQOQ-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO CCCC[N@@H+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000109333711 407397686 /nfs/dbraw/zinc/39/76/86/407397686.db2.gz WLHDNGVUFSCAID-UHFFFAOYSA-N 1 1 309.366 1.942 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185766193 407496631 /nfs/dbraw/zinc/49/66/31/407496631.db2.gz DSLONXRDFORPEW-NSHDSACASA-N 1 1 315.395 1.603 20 5 DDBDMO COC[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112991254 407455244 /nfs/dbraw/zinc/45/52/44/407455244.db2.gz RXRDTFGXKQPDQQ-ZFWWWQNUSA-N 1 1 324.377 1.693 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178759876 407589689 /nfs/dbraw/zinc/58/96/89/407589689.db2.gz HBZNDXINLIZGQR-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000185934628 407544418 /nfs/dbraw/zinc/54/44/18/407544418.db2.gz XCIVVWYZUYQLOZ-OAHLLOKOSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000185934628 407544423 /nfs/dbraw/zinc/54/44/23/407544423.db2.gz XCIVVWYZUYQLOZ-OAHLLOKOSA-N 1 1 307.350 1.704 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000178952358 407671741 /nfs/dbraw/zinc/67/17/41/407671741.db2.gz AKZPZNLWFLYAIN-ZDUSSCGKSA-N 1 1 323.349 1.322 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000171402371 407679588 /nfs/dbraw/zinc/67/95/88/407679588.db2.gz GPXQTIALDHCBTF-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000171402371 407679595 /nfs/dbraw/zinc/67/95/95/407679595.db2.gz GPXQTIALDHCBTF-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272528858 407965371 /nfs/dbraw/zinc/96/53/71/407965371.db2.gz MHBZSHWHVNRPJA-QMMMGPOBSA-N 1 1 321.362 1.281 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000118494665 407920661 /nfs/dbraw/zinc/92/06/61/407920661.db2.gz WUBQLYLMQQJZNM-JTQLQIEISA-N 1 1 322.321 1.493 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268278939 407982211 /nfs/dbraw/zinc/98/22/11/407982211.db2.gz WUSBWOKCUIEELZ-GXFFZTMASA-N 1 1 321.381 1.089 20 5 DDBDMO Cc1nc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000268439319 408045130 /nfs/dbraw/zinc/04/51/30/408045130.db2.gz CRWVLEBJWQRRHS-HNNXBMFYSA-N 1 1 321.425 1.982 20 5 DDBDMO C[N@H+](CCc1ccncc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181447443 407998950 /nfs/dbraw/zinc/99/89/50/407998950.db2.gz ZFTOWXABQFGYJE-UHFFFAOYSA-N 1 1 302.334 1.326 20 5 DDBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098091 408056310 /nfs/dbraw/zinc/05/63/10/408056310.db2.gz DQGGPJRCOLHZJQ-ZDUSSCGKSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098091 408056320 /nfs/dbraw/zinc/05/63/20/408056320.db2.gz DQGGPJRCOLHZJQ-ZDUSSCGKSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000273098091 408056327 /nfs/dbraw/zinc/05/63/27/408056327.db2.gz DQGGPJRCOLHZJQ-ZDUSSCGKSA-N 1 1 323.393 1.361 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000175236208 408083832 /nfs/dbraw/zinc/08/38/32/408083832.db2.gz OQIPSRYHPSMBEQ-OAHLLOKOSA-N 1 1 324.377 1.967 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000175236208 408083839 /nfs/dbraw/zinc/08/38/39/408083839.db2.gz OQIPSRYHPSMBEQ-OAHLLOKOSA-N 1 1 324.377 1.967 20 5 DDBDMO COCCOCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175683175 408183800 /nfs/dbraw/zinc/18/38/00/408183800.db2.gz NKZZTASGMZORGP-LBPRGKRZSA-N 1 1 310.354 1.139 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ncccc1[N+](=O)[O-] ZINC000263753846 408240515 /nfs/dbraw/zinc/24/05/15/408240515.db2.gz TUDJXGSXHTVBLE-CYBMUJFWSA-N 1 1 321.381 1.344 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246280421 408204945 /nfs/dbraw/zinc/20/49/45/408204945.db2.gz NLYGOXXKLVNOLB-HIFRSBDPSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000156654625 408270800 /nfs/dbraw/zinc/27/08/00/408270800.db2.gz FIMBZDGVSAXHPG-TVQRCGJNSA-N 1 1 317.349 1.671 20 5 DDBDMO CSCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000138252697 162129425 /nfs/dbraw/zinc/12/94/25/162129425.db2.gz IHEMWLOQXHNZIT-CYBMUJFWSA-N 1 1 309.391 1.995 20 5 DDBDMO CSCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000138252697 162129427 /nfs/dbraw/zinc/12/94/27/162129427.db2.gz IHEMWLOQXHNZIT-CYBMUJFWSA-N 1 1 309.391 1.995 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247157023 408417313 /nfs/dbraw/zinc/41/73/13/408417313.db2.gz IUEVFRFEEPCCHE-GXTWGEPZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247157023 408417320 /nfs/dbraw/zinc/41/73/20/408417320.db2.gz IUEVFRFEEPCCHE-GXTWGEPZSA-N 1 1 310.350 1.445 20 5 DDBDMO COCC1(O)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000270340325 408492750 /nfs/dbraw/zinc/49/27/50/408492750.db2.gz DTEHKPJUAOGBGO-UHFFFAOYSA-N 1 1 321.333 1.709 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177130306 408528345 /nfs/dbraw/zinc/52/83/45/408528345.db2.gz DECHSJVQDGHIHW-JQWIXIFHSA-N 1 1 319.361 1.958 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176866506 408462085 /nfs/dbraw/zinc/46/20/85/408462085.db2.gz FGQZCAKNIMSQHN-PWSUYJOCSA-N 1 1 306.366 1.589 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCC[C@H](C)C1 ZINC000248438759 408566323 /nfs/dbraw/zinc/56/63/23/408566323.db2.gz TWUVZLYIPOEJHV-WDEREUQCSA-N 1 1 321.381 1.422 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144799 408533232 /nfs/dbraw/zinc/53/32/32/408533232.db2.gz YYCGSTDKPLKFKD-NXEZZACHSA-N 1 1 321.381 1.625 20 5 DDBDMO [NH3+][C@@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000160874249 408535173 /nfs/dbraw/zinc/53/51/73/408535173.db2.gz AOMQAEYXTOARRG-BDAKNGLRSA-N 1 1 303.322 1.471 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265297302 408605712 /nfs/dbraw/zinc/60/57/12/408605712.db2.gz LNJCFHLJCWLTCP-NSHDSACASA-N 1 1 309.370 1.051 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177470800 408630340 /nfs/dbraw/zinc/63/03/40/408630340.db2.gz BZCHWPWFIKHAMC-HNNXBMFYSA-N 1 1 308.334 1.859 20 5 DDBDMO COc1cccc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194771712 408796410 /nfs/dbraw/zinc/79/64/10/408796410.db2.gz ALINHKKVEDEFLC-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194771712 408796415 /nfs/dbraw/zinc/79/64/15/408796415.db2.gz ALINHKKVEDEFLC-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000270942887 408751235 /nfs/dbraw/zinc/75/12/35/408751235.db2.gz RSFKXYPVNIOLCV-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000270942887 408751242 /nfs/dbraw/zinc/75/12/42/408751242.db2.gz RSFKXYPVNIOLCV-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@]1(O)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000178009860 408757760 /nfs/dbraw/zinc/75/77/60/408757760.db2.gz IWGZOWCQTBSZGB-AWEZNQCLSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@]1(O)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000178009860 408757763 /nfs/dbraw/zinc/75/77/63/408757763.db2.gz IWGZOWCQTBSZGB-AWEZNQCLSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000249760466 408765088 /nfs/dbraw/zinc/76/50/88/408765088.db2.gz XOGZHPKFVRGPIG-RYUDHWBXSA-N 1 1 309.370 1.028 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000285631191 408832722 /nfs/dbraw/zinc/83/27/22/408832722.db2.gz AFKVZRCVMLADTK-ONGXEEELSA-N 1 1 322.287 1.284 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000276337659 408839072 /nfs/dbraw/zinc/83/90/72/408839072.db2.gz HOPWYXVSVWSKNP-QMTHXVAHSA-N 1 1 304.350 1.343 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188741992 163065200 /nfs/dbraw/zinc/06/52/00/163065200.db2.gz XLSTUWRODIBOIX-GFCCVEGCSA-N 1 1 321.377 1.296 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188741992 163065205 /nfs/dbraw/zinc/06/52/05/163065205.db2.gz XLSTUWRODIBOIX-GFCCVEGCSA-N 1 1 321.377 1.296 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281740243 408920911 /nfs/dbraw/zinc/92/09/11/408920911.db2.gz JXXLSHFPFVCPLA-UHFFFAOYSA-N 1 1 304.350 1.810 20 5 DDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000286086493 408921794 /nfs/dbraw/zinc/92/17/94/408921794.db2.gz SQFNFZUMEKGCMO-NSHDSACASA-N 1 1 323.397 1.948 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(CO)CCOCC2)c(F)c1 ZINC000286171627 408935479 /nfs/dbraw/zinc/93/54/79/408935479.db2.gz YRJNPDQFXGHQKL-UHFFFAOYSA-N 1 1 302.277 1.504 20 5 DDBDMO CC[N@H+]1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286651241 408992820 /nfs/dbraw/zinc/99/28/20/408992820.db2.gz DRAHNFCNDBWJNI-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282271336 409024187 /nfs/dbraw/zinc/02/41/87/409024187.db2.gz HPWSVYHUXSHRAZ-BPLDGKMQSA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287505021 409045964 /nfs/dbraw/zinc/04/59/64/409045964.db2.gz NWJSYQCOKHZCGZ-SNVBAGLBSA-N 1 1 304.310 1.128 20 5 DDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CCO)CCCO)c1 ZINC000293180701 409063397 /nfs/dbraw/zinc/06/33/97/409063397.db2.gz SMBKZSJPAWHQIY-UHFFFAOYSA-N 1 1 322.283 1.790 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](C2CC2)CC1 ZINC000278788490 409089435 /nfs/dbraw/zinc/08/94/35/409089435.db2.gz WTAHQJMLDZEYOJ-UHFFFAOYSA-N 1 1 319.361 1.974 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000287831237 409101402 /nfs/dbraw/zinc/10/14/02/409101402.db2.gz KSLNIWWPIUBWHD-SNVBAGLBSA-N 1 1 322.365 1.979 20 5 DDBDMO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000293872854 409198309 /nfs/dbraw/zinc/19/83/09/409198309.db2.gz VACFQQYKYWAMPZ-OLZOCXBDSA-N 1 1 321.425 1.464 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000279384983 409203723 /nfs/dbraw/zinc/20/37/23/409203723.db2.gz IFOOUWFPUJDSPL-JTQLQIEISA-N 1 1 324.356 1.730 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355630 409298232 /nfs/dbraw/zinc/29/82/32/409298232.db2.gz INBBEKHMKYFMFE-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355630 409298233 /nfs/dbraw/zinc/29/82/33/409298233.db2.gz INBBEKHMKYFMFE-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321308458 164044046 /nfs/dbraw/zinc/04/40/46/164044046.db2.gz CRQAVIMZPOZAPU-YPMHNXCESA-N 1 1 318.377 1.876 20 5 DDBDMO COc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304323871 409605846 /nfs/dbraw/zinc/60/58/46/409605846.db2.gz MRDVLYVDTHDXKE-AWEZNQCLSA-N 1 1 320.349 1.293 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356902458 409705022 /nfs/dbraw/zinc/70/50/22/409705022.db2.gz OBNIIWBQXAHEPV-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356902458 409705033 /nfs/dbraw/zinc/70/50/33/409705033.db2.gz OBNIIWBQXAHEPV-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342451396 409642325 /nfs/dbraw/zinc/64/23/25/409642325.db2.gz PAVZHJAPORMNHZ-LKFCYVNXSA-N 1 1 304.350 1.511 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296971627 409737147 /nfs/dbraw/zinc/73/71/47/409737147.db2.gz DDMBFXDHPSLTOB-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000296971627 409737153 /nfs/dbraw/zinc/73/71/53/409737153.db2.gz DDMBFXDHPSLTOB-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000296971627 409737158 /nfs/dbraw/zinc/73/71/58/409737158.db2.gz DDMBFXDHPSLTOB-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354523324 409918135 /nfs/dbraw/zinc/91/81/35/409918135.db2.gz WTSXUCGTYYGEMC-CYBMUJFWSA-N 1 1 317.349 2.284 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254933 409877955 /nfs/dbraw/zinc/87/79/55/409877955.db2.gz HSTLVKNXIPQTTC-QJPTWQEYSA-N 1 1 321.381 1.131 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000346623379 410041845 /nfs/dbraw/zinc/04/18/45/410041845.db2.gz WSACOIQXEYRQFQ-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229644 409998162 /nfs/dbraw/zinc/99/81/62/409998162.db2.gz PNOCBPXJUQZSFQ-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229644 409998167 /nfs/dbraw/zinc/99/81/67/409998167.db2.gz PNOCBPXJUQZSFQ-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO COc1cc(CN2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000346681309 410078013 /nfs/dbraw/zinc/07/80/13/410078013.db2.gz DESCCDNQJNNZGY-UHFFFAOYSA-N 1 1 309.366 1.783 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298450554 410236537 /nfs/dbraw/zinc/23/65/37/410236537.db2.gz QZMDPEVSJBOECO-UHFFFAOYSA-N 1 1 300.380 1.854 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000355051444 410269892 /nfs/dbraw/zinc/26/98/92/410269892.db2.gz NNQOFZWJIRZJPP-UHFFFAOYSA-N 1 1 310.354 1.177 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351774207 410223770 /nfs/dbraw/zinc/22/37/70/410223770.db2.gz KDJOFYZAYGPGDQ-PUYPPJJSSA-N 1 1 307.350 1.543 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351774207 410223773 /nfs/dbraw/zinc/22/37/73/410223773.db2.gz KDJOFYZAYGPGDQ-PUYPPJJSSA-N 1 1 307.350 1.543 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339781480 410455846 /nfs/dbraw/zinc/45/58/46/410455846.db2.gz YDYPPRRCIMALAK-DZGCQCFKSA-N 1 1 324.381 1.043 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000358400027 410460589 /nfs/dbraw/zinc/46/05/89/410460589.db2.gz VYQLIMAVNYBWMU-SECBINFHSA-N 1 1 316.317 1.614 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343457052 410468912 /nfs/dbraw/zinc/46/89/12/410468912.db2.gz KOYBYCNWNJOCKQ-MFKMUULPSA-N 1 1 306.366 1.849 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343462142 410470890 /nfs/dbraw/zinc/47/08/90/410470890.db2.gz SVSKYJSTVGPQLM-JQWIXIFHSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000299070711 410507910 /nfs/dbraw/zinc/50/79/10/410507910.db2.gz UVGYISKYSGYARR-UHFFFAOYSA-N 1 1 317.349 1.989 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299213212 410571619 /nfs/dbraw/zinc/57/16/19/410571619.db2.gz FCXIBGVBDHIYRP-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301296404 410693332 /nfs/dbraw/zinc/69/33/32/410693332.db2.gz SHNKJUOUYMRSQE-GFCCVEGCSA-N 1 1 324.429 1.322 20 5 DDBDMO Cc1nn(C)c(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301306381 410697271 /nfs/dbraw/zinc/69/72/71/410697271.db2.gz YLVZKVVEICRMFB-NSHDSACASA-N 1 1 323.397 1.326 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301430496 410720681 /nfs/dbraw/zinc/72/06/81/410720681.db2.gz QEUQLFADGMXJQH-WCQYABFASA-N 1 1 320.393 1.873 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000330532818 410753406 /nfs/dbraw/zinc/75/34/06/410753406.db2.gz NXCYZEROUNXISG-JSGCOSHPSA-N 1 1 307.350 1.272 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000330532818 410753412 /nfs/dbraw/zinc/75/34/12/410753412.db2.gz NXCYZEROUNXISG-JSGCOSHPSA-N 1 1 307.350 1.272 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750017 410856931 /nfs/dbraw/zinc/85/69/31/410856931.db2.gz GWKLHYSZFDCPBI-KOLCDFICSA-N 1 1 320.349 1.814 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356142857 410860401 /nfs/dbraw/zinc/86/04/01/410860401.db2.gz AVRSMYMYTUOGGR-GFCCVEGCSA-N 1 1 323.397 1.713 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330836111 410896310 /nfs/dbraw/zinc/89/63/10/410896310.db2.gz KMIAPKLTJKLNKR-YRGRVCCFSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344055658 410922515 /nfs/dbraw/zinc/92/25/15/410922515.db2.gz KUSVPNXLTQARLO-BVIHXZOGSA-N 1 1 319.361 1.625 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556870 411015350 /nfs/dbraw/zinc/01/53/50/411015350.db2.gz QCPRJOWQPBLULT-WCQYABFASA-N 1 1 310.350 1.957 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356649972 411116742 /nfs/dbraw/zinc/11/67/42/411116742.db2.gz QVECLKRYNHQMAN-SNVBAGLBSA-N 1 1 310.354 1.546 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000194741977 292584394 /nfs/dbraw/zinc/58/43/94/292584394.db2.gz LFFMABPVENKYJF-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419338955 226123960 /nfs/dbraw/zinc/12/39/60/226123960.db2.gz ZPGZCUBKBBVYRX-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000374894925 418574329 /nfs/dbraw/zinc/57/43/29/418574329.db2.gz OEBYETRWWZLCHN-AAVRWANBSA-N 1 1 307.325 1.053 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000360872537 418538040 /nfs/dbraw/zinc/53/80/40/418538040.db2.gz ODPISLRYXPUYCK-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000360872537 418538043 /nfs/dbraw/zinc/53/80/43/418538043.db2.gz ODPISLRYXPUYCK-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO COc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291030308 222083633 /nfs/dbraw/zinc/08/36/33/222083633.db2.gz YSEFODMYBRCHQV-UHFFFAOYSA-N 1 1 321.312 1.792 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000195442169 222202420 /nfs/dbraw/zinc/20/24/20/222202420.db2.gz SWXNBUFDDUAHGZ-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375035555 418592084 /nfs/dbraw/zinc/59/20/84/418592084.db2.gz CTNFLEBQLKZOOS-ABAIWWIYSA-N 1 1 318.377 1.485 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361213711 418607002 /nfs/dbraw/zinc/60/70/02/418607002.db2.gz ZSLLJZIPXDPYSQ-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375311222 418627949 /nfs/dbraw/zinc/62/79/49/418627949.db2.gz VTVRYFFLLPZQHS-AWEZNQCLSA-N 1 1 319.361 1.689 20 5 DDBDMO CNC(=O)CN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000368211595 418705216 /nfs/dbraw/zinc/70/52/16/418705216.db2.gz HNOFKTFSAQKCPE-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CNC(=O)CN1CCCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000368211595 418705217 /nfs/dbraw/zinc/70/52/17/418705217.db2.gz HNOFKTFSAQKCPE-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CC(C)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000361828439 418715153 /nfs/dbraw/zinc/71/51/53/418715153.db2.gz FKJXQYZXIFBCFU-UHFFFAOYSA-N 1 1 321.381 1.257 20 5 DDBDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000361541724 418673784 /nfs/dbraw/zinc/67/37/84/418673784.db2.gz SBZNMBKUDJMXJB-TZMCWYRMSA-N 1 1 310.398 1.910 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368068000 418684097 /nfs/dbraw/zinc/68/40/97/418684097.db2.gz DNJFVCBVITVRAC-INIZCTEOSA-N 1 1 321.377 1.534 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nn21 ZINC000372703421 418893709 /nfs/dbraw/zinc/89/37/09/418893709.db2.gz IDOIEHMCTDHWSJ-GHMZBOCLSA-N 1 1 302.338 1.676 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712156 418893783 /nfs/dbraw/zinc/89/37/83/418893783.db2.gz FDIZQUSVGWEYTQ-CHWSQXEVSA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712156 418893784 /nfs/dbraw/zinc/89/37/84/418893784.db2.gz FDIZQUSVGWEYTQ-CHWSQXEVSA-N 1 1 321.381 1.304 20 5 DDBDMO COC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000411915054 419482348 /nfs/dbraw/zinc/48/23/48/419482348.db2.gz YJTQYRONLQBYSL-AWEZNQCLSA-N 1 1 321.377 1.174 20 5 DDBDMO COC(=O)[C@H]1CN(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915054 419482359 /nfs/dbraw/zinc/48/23/59/419482359.db2.gz YJTQYRONLQBYSL-AWEZNQCLSA-N 1 1 321.377 1.174 20 5 DDBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000411915054 419482365 /nfs/dbraw/zinc/48/23/65/419482365.db2.gz YJTQYRONLQBYSL-AWEZNQCLSA-N 1 1 321.377 1.174 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000411926312 419494363 /nfs/dbraw/zinc/49/43/63/419494363.db2.gz VPQABKZFSHYHGU-GJZGRUSLSA-N 1 1 324.377 1.964 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000411926312 419494369 /nfs/dbraw/zinc/49/43/69/419494369.db2.gz VPQABKZFSHYHGU-GJZGRUSLSA-N 1 1 324.377 1.964 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+]1C ZINC000421002731 419442500 /nfs/dbraw/zinc/44/25/00/419442500.db2.gz MOXRGLXWLLBSRP-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000421395094 419597407 /nfs/dbraw/zinc/59/74/07/419597407.db2.gz YBZKIQBEKFOPRZ-SNVBAGLBSA-N 1 1 323.349 1.180 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061861 419610917 /nfs/dbraw/zinc/61/09/17/419610917.db2.gz AKLXPLBKYVCOIC-RDBSUJKOSA-N 1 1 324.377 1.427 20 5 DDBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188144 419614131 /nfs/dbraw/zinc/61/41/31/419614131.db2.gz WZAHFBFQEGKILY-KGLIPLIRSA-N 1 1 308.382 1.663 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412072593 419623574 /nfs/dbraw/zinc/62/35/74/419623574.db2.gz HJLUJOKWROZUNS-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412072593 419623578 /nfs/dbraw/zinc/62/35/78/419623578.db2.gz HJLUJOKWROZUNS-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000427705077 419719448 /nfs/dbraw/zinc/71/94/48/419719448.db2.gz GYYIJRJCVAPKQI-LLVKDONJSA-N 1 1 309.370 1.414 20 5 DDBDMO COCCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299254975 229009758 /nfs/dbraw/zinc/00/97/58/229009758.db2.gz DNLDHYWCFHLSHT-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO COCCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299254975 229009763 /nfs/dbraw/zinc/00/97/63/229009763.db2.gz DNLDHYWCFHLSHT-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000430192117 420088768 /nfs/dbraw/zinc/08/87/68/420088768.db2.gz ACIUTEAEKKRSAZ-CQSZACIVSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000430192117 420088772 /nfs/dbraw/zinc/08/87/72/420088772.db2.gz ACIUTEAEKKRSAZ-CQSZACIVSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430967674 420228917 /nfs/dbraw/zinc/22/89/17/420228917.db2.gz UDUFBENVXWVGAC-RISCZKNCSA-N 1 1 306.366 1.593 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430946076 420219531 /nfs/dbraw/zinc/21/95/31/420219531.db2.gz YYXIOKUZANYTAX-JSGCOSHPSA-N 1 1 320.393 1.901 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416287329 420308071 /nfs/dbraw/zinc/30/80/71/420308071.db2.gz BWMOFCMSGNHBCZ-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000416287329 420308076 /nfs/dbraw/zinc/30/80/76/420308076.db2.gz BWMOFCMSGNHBCZ-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416298476 420316443 /nfs/dbraw/zinc/31/64/43/420316443.db2.gz QXAOPILEGCUHOQ-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416298476 420316444 /nfs/dbraw/zinc/31/64/44/420316444.db2.gz QXAOPILEGCUHOQ-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO COC(=O)c1cc(C)nc(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420638581 420338442 /nfs/dbraw/zinc/33/84/42/420338442.db2.gz QQAWEXXOKDCXHM-LLVKDONJSA-N 1 1 322.365 1.615 20 5 DDBDMO CO[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000425417023 420379948 /nfs/dbraw/zinc/37/99/48/420379948.db2.gz MCMKCXUHJTZZNE-JSGCOSHPSA-N 1 1 306.366 1.901 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000450920768 420562092 /nfs/dbraw/zinc/56/20/92/420562092.db2.gz ASLNNWDFVFPBDF-UHFFFAOYSA-N 1 1 308.386 1.213 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)o2)c1 ZINC000459694209 420849221 /nfs/dbraw/zinc/84/92/21/420849221.db2.gz GDAOKEYKYPTNSD-WFASDCNBSA-N 1 1 318.329 1.640 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792259 420874902 /nfs/dbraw/zinc/87/49/02/420874902.db2.gz JKYOLDJJCJKUGA-TUAOUCFPSA-N 1 1 310.375 1.524 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487071805 421001318 /nfs/dbraw/zinc/00/13/18/421001318.db2.gz BPLWRDVXBHNDMZ-OAHLLOKOSA-N 1 1 320.393 1.731 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000449430237 421010898 /nfs/dbraw/zinc/01/08/98/421010898.db2.gz BVOPQTGUJLKBIW-FVQBIDKESA-N 1 1 306.362 1.957 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487515345 421032908 /nfs/dbraw/zinc/03/29/08/421032908.db2.gz KHQTVVDCKUSRLE-DGCLKSJQSA-N 1 1 321.381 1.153 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000563458032 421512919 /nfs/dbraw/zinc/51/29/19/421512919.db2.gz GOTJXYSGHLJMRG-UHFFFAOYSA-N 1 1 321.312 1.319 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000571118404 421690028 /nfs/dbraw/zinc/69/00/28/421690028.db2.gz NUUCVMQRZSRSHH-LLVKDONJSA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000518792703 421668310 /nfs/dbraw/zinc/66/83/10/421668310.db2.gz QCMQAAMSJCDGSR-GFCCVEGCSA-N 1 1 303.362 1.821 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823134 421671238 /nfs/dbraw/zinc/67/12/38/421671238.db2.gz IIRUFYPNYNHLON-LLVKDONJSA-N 1 1 321.381 1.518 20 5 DDBDMO C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+]1CC(C)C1 ZINC000520836415 421765682 /nfs/dbraw/zinc/76/56/82/421765682.db2.gz NUFRXFORBIDRGU-LLVKDONJSA-N 1 1 304.350 1.215 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000557556163 421777700 /nfs/dbraw/zinc/77/77/00/421777700.db2.gz VBGTZWDTCATVDI-LLVKDONJSA-N 1 1 306.366 1.836 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000578480308 422579232 /nfs/dbraw/zinc/57/92/32/422579232.db2.gz QGTYCKAIMVJGTO-LBPRGKRZSA-N 1 1 321.377 1.740 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000181957048 263371714 /nfs/dbraw/zinc/37/17/14/263371714.db2.gz VLNAJDIMKOYKAO-OLZOCXBDSA-N 1 1 310.350 1.303 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)n1 ZINC000344419519 272021373 /nfs/dbraw/zinc/02/13/73/272021373.db2.gz GDOQXNXYRBTPQR-GHMZBOCLSA-N 1 1 309.370 1.366 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344756087 272110924 /nfs/dbraw/zinc/11/09/24/272110924.db2.gz GQEUKTVNCRAVJG-SNVBAGLBSA-N 1 1 305.338 1.504 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345321782 272219388 /nfs/dbraw/zinc/21/93/88/272219388.db2.gz OUQYRXIADAGGPE-KWQFWETISA-N 1 1 310.329 1.529 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CCN2 ZINC000450785326 275038711 /nfs/dbraw/zinc/03/87/11/275038711.db2.gz AMBJKWNQGXCFFQ-TXEJJXNPSA-N 1 1 318.377 1.838 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423494113 275040123 /nfs/dbraw/zinc/04/01/23/275040123.db2.gz RPTADJVHIPDEGC-JKSUJKDBSA-N 1 1 319.405 1.884 20 5 DDBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1CCOC ZINC000271006141 276030981 /nfs/dbraw/zinc/03/09/81/276030981.db2.gz YACOKLAJNPOHPH-GFCCVEGCSA-N 1 1 324.381 1.496 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333246 276040582 /nfs/dbraw/zinc/04/05/82/276040582.db2.gz ATGZKHRKRVHBSG-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333246 276040583 /nfs/dbraw/zinc/04/05/83/276040583.db2.gz ATGZKHRKRVHBSG-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333246 276040584 /nfs/dbraw/zinc/04/05/84/276040584.db2.gz ATGZKHRKRVHBSG-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455818371 276169594 /nfs/dbraw/zinc/16/95/94/276169594.db2.gz AXVIVUMZLSOHMT-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO CNC(=O)c1ccc(N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857608 277258450 /nfs/dbraw/zinc/25/84/50/277258450.db2.gz ALGMETKFYMKABI-UHFFFAOYSA-N 1 1 318.377 1.629 20 5 DDBDMO O=C1CCC(=O)N1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130195678 280248786 /nfs/dbraw/zinc/24/87/86/280248786.db2.gz HMJIDGCLXQMICA-UHFFFAOYSA-N 1 1 317.345 1.708 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000420432276 280654584 /nfs/dbraw/zinc/65/45/84/280654584.db2.gz XVCSQJZBZUFPIR-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)[NH2+]1 ZINC000123884677 281179581 /nfs/dbraw/zinc/17/95/81/281179581.db2.gz WHKUGSHQZJVSAZ-HTQZYQBOSA-N 1 1 305.381 1.027 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128326652 281307499 /nfs/dbraw/zinc/30/74/99/281307499.db2.gz XNKZMBPLNFXASI-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000128326652 281307501 /nfs/dbraw/zinc/30/75/01/281307501.db2.gz XNKZMBPLNFXASI-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362079096 300001991 /nfs/dbraw/zinc/00/19/91/300001991.db2.gz SVIYDAWWXKFAQT-NWDGAFQWSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362079096 300001992 /nfs/dbraw/zinc/00/19/92/300001992.db2.gz SVIYDAWWXKFAQT-NWDGAFQWSA-N 1 1 307.350 1.402 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362454463 300067521 /nfs/dbraw/zinc/06/75/21/300067521.db2.gz QNQJGKAMIONJMU-ZIAGYGMSSA-N 1 1 319.361 1.695 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000362659120 300111476 /nfs/dbraw/zinc/11/14/76/300111476.db2.gz UVQJIEWVWTXZFE-NSHDSACASA-N 1 1 309.370 1.018 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363026611 300200360 /nfs/dbraw/zinc/20/03/60/300200360.db2.gz JVZMEJZCHFFVGX-UKRRQHHQSA-N 1 1 303.362 1.880 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363099272 300210680 /nfs/dbraw/zinc/21/06/80/300210680.db2.gz FQVFTMVTMDHMAQ-CHWSQXEVSA-N 1 1 318.377 1.993 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651026 300292640 /nfs/dbraw/zinc/29/26/40/300292640.db2.gz JNNXLBTWHYODGB-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363877251 300320107 /nfs/dbraw/zinc/32/01/07/300320107.db2.gz UGILMMBVZONAEV-CORIIIEPSA-N 1 1 316.361 1.546 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H]2OCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368471042 301034946 /nfs/dbraw/zinc/03/49/46/301034946.db2.gz PFMMQLCRDNWMDW-SMDDNHRTSA-N 1 1 305.334 1.644 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368471042 301034949 /nfs/dbraw/zinc/03/49/49/301034949.db2.gz PFMMQLCRDNWMDW-SMDDNHRTSA-N 1 1 305.334 1.644 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000368576840 301055994 /nfs/dbraw/zinc/05/59/94/301055994.db2.gz QLAJPRTTWVIQSQ-UHFFFAOYSA-N 1 1 319.361 1.839 20 5 DDBDMO C[C@H]1CC(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000369453854 301187982 /nfs/dbraw/zinc/18/79/82/301187982.db2.gz XAZBEJPPYDVISC-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@H]2C1 ZINC000376729423 302093155 /nfs/dbraw/zinc/09/31/55/302093155.db2.gz PXEDNAJFFKGDME-MFKMUULPSA-N 1 1 307.325 1.900 20 5 DDBDMO COCC(C)(C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429274587 302387811 /nfs/dbraw/zinc/38/78/11/302387811.db2.gz SUHPMQZQQOBGRC-CYBMUJFWSA-N 1 1 312.366 1.691 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]1 ZINC000530582615 303204581 /nfs/dbraw/zinc/20/45/81/303204581.db2.gz FHGDWVQSIPSHBQ-UHFFFAOYSA-N 1 1 303.322 1.479 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000532873519 303300199 /nfs/dbraw/zinc/30/01/99/303300199.db2.gz PCRBDDJMHNKITI-YPMHNXCESA-N 1 1 306.366 1.490 20 5 DDBDMO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361603197 307000703 /nfs/dbraw/zinc/00/07/03/307000703.db2.gz PNOOVVLSUHBWQV-OAHLLOKOSA-N 1 1 302.334 1.476 20 5 DDBDMO Cc1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361603197 307000704 /nfs/dbraw/zinc/00/07/04/307000704.db2.gz PNOOVVLSUHBWQV-OAHLLOKOSA-N 1 1 302.334 1.476 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182776 307060845 /nfs/dbraw/zinc/06/08/45/307060845.db2.gz IQJICXBJMOYVQU-NEPJUHHUSA-N 1 1 318.377 1.842 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000366425823 307073555 /nfs/dbraw/zinc/07/35/55/307073555.db2.gz XTXKYCZYHKALHX-ITGUQSILSA-N 1 1 308.334 1.152 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000368714971 307108472 /nfs/dbraw/zinc/10/84/72/307108472.db2.gz HBZDRFSIWDSISN-INIZCTEOSA-N 1 1 314.345 1.960 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000368714971 307108473 /nfs/dbraw/zinc/10/84/73/307108473.db2.gz HBZDRFSIWDSISN-INIZCTEOSA-N 1 1 314.345 1.960 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000373972938 307198838 /nfs/dbraw/zinc/19/88/38/307198838.db2.gz KXMQDAHWEVVUBZ-HRCADAONSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373972938 307198839 /nfs/dbraw/zinc/19/88/39/307198839.db2.gz KXMQDAHWEVVUBZ-HRCADAONSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373972938 307198840 /nfs/dbraw/zinc/19/88/40/307198840.db2.gz KXMQDAHWEVVUBZ-HRCADAONSA-N 1 1 317.389 1.332 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000579494626 308536812 /nfs/dbraw/zinc/53/68/12/308536812.db2.gz UVLJZGCCZXKMKM-GFCCVEGCSA-N 1 1 309.366 1.984 20 5 DDBDMO O=C(CC[N@H+]1CC[C@]12CCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000421019809 484110492 /nfs/dbraw/zinc/11/04/92/484110492.db2.gz MTVGBCRKWIIISR-OAHLLOKOSA-N 1 1 305.334 1.788 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421024313 484112006 /nfs/dbraw/zinc/11/20/06/484112006.db2.gz XELBOZZOWWELHF-LBPRGKRZSA-N 1 1 321.377 1.678 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361427935 500642574 /nfs/dbraw/zinc/64/25/74/500642574.db2.gz WGDZQNFAWDESAN-AWEZNQCLSA-N 1 1 319.361 1.329 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361427935 500642577 /nfs/dbraw/zinc/64/25/77/500642577.db2.gz WGDZQNFAWDESAN-AWEZNQCLSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457352 534244091 /nfs/dbraw/zinc/24/40/91/534244091.db2.gz MGWQVHCBVYCNJO-MFKMUULPSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451457352 534244094 /nfs/dbraw/zinc/24/40/94/534244094.db2.gz MGWQVHCBVYCNJO-MFKMUULPSA-N 1 1 318.333 1.990 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414564653 527528743 /nfs/dbraw/zinc/52/87/43/527528743.db2.gz XVSSKKCMRHFVMZ-CMIZMYSDSA-N 1 1 306.362 1.673 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451936089 527790177 /nfs/dbraw/zinc/79/01/77/527790177.db2.gz KHMYADXNODHQGM-ZKYQVNSYSA-N 1 1 323.349 1.315 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000490300041 527825566 /nfs/dbraw/zinc/82/55/66/527825566.db2.gz NXDYUWPSOFCHHW-CYBMUJFWSA-N 1 1 323.397 1.325 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120828299 782166879 /nfs/dbraw/zinc/16/68/79/782166879.db2.gz OJYIPDVBHQJVRG-UHFFFAOYSA-N 1 1 323.397 1.367 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736857417 598504122 /nfs/dbraw/zinc/50/41/22/598504122.db2.gz NKLATWDFVYFBAW-JTQLQIEISA-N 1 1 317.353 1.529 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000066080632 696349681 /nfs/dbraw/zinc/34/96/81/696349681.db2.gz UZSLIOHCCPPFSB-LBPRGKRZSA-N 1 1 309.370 1.343 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000066080632 696349684 /nfs/dbraw/zinc/34/96/84/696349684.db2.gz UZSLIOHCCPPFSB-LBPRGKRZSA-N 1 1 309.370 1.343 20 5 DDBDMO C[N@H+](CCn1cccn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000111169483 696642243 /nfs/dbraw/zinc/64/22/43/696642243.db2.gz LUFWFPHLSDALNR-UHFFFAOYSA-N 1 1 300.322 1.731 20 5 DDBDMO C[N@@H+](CCn1cccn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000111169483 696642246 /nfs/dbraw/zinc/64/22/46/696642246.db2.gz LUFWFPHLSDALNR-UHFFFAOYSA-N 1 1 300.322 1.731 20 5 DDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCC[NH+]2CCCCC2)cs1 ZINC000119568945 696682351 /nfs/dbraw/zinc/68/23/51/696682351.db2.gz LQASNQIFMSYVOL-UHFFFAOYSA-N 1 1 319.408 1.421 20 5 DDBDMO COCCOC[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173393496 697377722 /nfs/dbraw/zinc/37/77/22/697377722.db2.gz CXOQMUFLYACECO-ZDUSSCGKSA-N 1 1 312.370 1.351 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173393496 697377724 /nfs/dbraw/zinc/37/77/24/697377724.db2.gz CXOQMUFLYACECO-ZDUSSCGKSA-N 1 1 312.370 1.351 20 5 DDBDMO CCCC(=O)N1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985212966 697469050 /nfs/dbraw/zinc/46/90/50/697469050.db2.gz HNSJNDUMRNYEAC-UHFFFAOYSA-N 1 1 323.397 1.551 20 5 DDBDMO CCCC(=O)N1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985212966 697469051 /nfs/dbraw/zinc/46/90/51/697469051.db2.gz HNSJNDUMRNYEAC-UHFFFAOYSA-N 1 1 323.397 1.551 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580556 698120743 /nfs/dbraw/zinc/12/07/43/698120743.db2.gz WJWWKQOYHIPELB-CJNGLKHVSA-N 1 1 321.377 1.476 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000776593624 698124252 /nfs/dbraw/zinc/12/42/52/698124252.db2.gz YSHJJKCVRPFIAH-AWEZNQCLSA-N 1 1 317.349 1.626 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525613 698734308 /nfs/dbraw/zinc/73/43/08/698734308.db2.gz ZHZBTKDULMWVKI-MWLCHTKSSA-N 1 1 311.313 1.518 20 5 DDBDMO Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000791258854 699618072 /nfs/dbraw/zinc/61/80/72/699618072.db2.gz LQPJBDUBCAIAIB-WCQYABFASA-N 1 1 322.340 1.435 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000735894606 699708970 /nfs/dbraw/zinc/70/89/70/699708970.db2.gz VCHIZUGORFBXAM-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637352 699820424 /nfs/dbraw/zinc/82/04/24/699820424.db2.gz WINGXHOGAYGTTE-MNOVXSKESA-N 1 1 321.333 1.696 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637352 699820426 /nfs/dbraw/zinc/82/04/26/699820426.db2.gz WINGXHOGAYGTTE-MNOVXSKESA-N 1 1 321.333 1.696 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[NH+]1CCOCC1 ZINC000751321644 700280796 /nfs/dbraw/zinc/28/07/96/700280796.db2.gz MWJOUKLYSJPMQO-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000754778176 700526841 /nfs/dbraw/zinc/52/68/41/700526841.db2.gz MSAWEKNJFLJQPW-CYBMUJFWSA-N 1 1 309.370 1.166 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000754778176 700526844 /nfs/dbraw/zinc/52/68/44/700526844.db2.gz MSAWEKNJFLJQPW-CYBMUJFWSA-N 1 1 309.370 1.166 20 5 DDBDMO O=C(CC[NH+]1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757641115 700667323 /nfs/dbraw/zinc/66/73/23/700667323.db2.gz AFSVUFZOODOHBM-UHFFFAOYSA-N 1 1 319.361 1.202 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000803856625 701150263 /nfs/dbraw/zinc/15/02/63/701150263.db2.gz SSXQQOSALDTAJA-LBPRGKRZSA-N 1 1 310.354 1.599 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H]1C[N@H+](C)CCO1 ZINC000770474565 701279529 /nfs/dbraw/zinc/27/95/29/701279529.db2.gz BLXWGIBIDQMIGU-LDYMZIIASA-N 1 1 307.310 1.262 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H]1C[N@@H+](C)CCO1 ZINC000770474565 701279530 /nfs/dbraw/zinc/27/95/30/701279530.db2.gz BLXWGIBIDQMIGU-LDYMZIIASA-N 1 1 307.310 1.262 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000839525956 701724477 /nfs/dbraw/zinc/72/44/77/701724477.db2.gz BSGXSEYRCGWUMF-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839707344 701791252 /nfs/dbraw/zinc/79/12/52/701791252.db2.gz SXRUCFMOTHXJFZ-HUUCEWRRSA-N 1 1 305.378 1.550 20 5 DDBDMO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839762523 701814625 /nfs/dbraw/zinc/81/46/25/701814625.db2.gz YLIRMBPOHCKXKX-JHJVBQTASA-N 1 1 311.769 1.724 20 5 DDBDMO CCN(C[C@@H]1CCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867970192 701862580 /nfs/dbraw/zinc/86/25/80/701862580.db2.gz YRBNEPMMHNJUEQ-HOCLYGCPSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000840132292 701987314 /nfs/dbraw/zinc/98/73/14/701987314.db2.gz JYARTFHVNWTRFK-MFKMUULPSA-N 1 1 318.333 1.096 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000812340546 702164134 /nfs/dbraw/zinc/16/41/34/702164134.db2.gz CSIJFLPRAITKKP-OLZOCXBDSA-N 1 1 319.361 1.384 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209645 706649500 /nfs/dbraw/zinc/64/95/00/706649500.db2.gz UOGOAHRHDBXVSX-PWSUYJOCSA-N 1 1 320.349 1.307 20 5 DDBDMO COc1cc(Cc2noc([C@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843224898 702845821 /nfs/dbraw/zinc/84/58/21/702845821.db2.gz AJCDNJWLLJSCPP-ZETCQYMHSA-N 1 1 308.294 1.606 20 5 DDBDMO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709025 703322198 /nfs/dbraw/zinc/32/21/98/703322198.db2.gz XWOTVLNTZIQZBE-QWRGUYRKSA-N 1 1 324.356 1.874 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000852345394 704019385 /nfs/dbraw/zinc/01/93/85/704019385.db2.gz BKJLBXHVRVZDOR-XRGAULLZSA-N 1 1 306.362 1.721 20 5 DDBDMO C[N@@H+](C[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000819149151 704076499 /nfs/dbraw/zinc/07/64/99/704076499.db2.gz HSCSTNCHXDUMJB-ZDUSSCGKSA-N 1 1 313.785 1.793 20 5 DDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819177551 704082187 /nfs/dbraw/zinc/08/21/87/704082187.db2.gz OFNDMLVRVBEVSI-ZUZCIYMTSA-N 1 1 304.350 1.881 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701697 704102556 /nfs/dbraw/zinc/10/25/56/704102556.db2.gz DXFSUVZJJPASQZ-YGRLFVJLSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701697 704102559 /nfs/dbraw/zinc/10/25/59/704102559.db2.gz DXFSUVZJJPASQZ-YGRLFVJLSA-N 1 1 309.322 1.953 20 5 DDBDMO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000853150834 704205179 /nfs/dbraw/zinc/20/51/79/704205179.db2.gz JAMGEAWPYFSFAN-UHFFFAOYSA-N 1 1 320.393 1.847 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871151174 704231238 /nfs/dbraw/zinc/23/12/38/704231238.db2.gz YIMCPVBIPLXAMD-UHFFFAOYSA-N 1 1 306.366 1.855 20 5 DDBDMO CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000855360252 704480674 /nfs/dbraw/zinc/48/06/74/704480674.db2.gz DFCZGCNYHHGSFU-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO Nc1ncc2c(n1)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000857924165 704643246 /nfs/dbraw/zinc/64/32/46/704643246.db2.gz SFRMREXCXFATIQ-AWEZNQCLSA-N 1 1 315.333 1.059 20 5 DDBDMO Nc1ncc2c(n1)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000857924165 704643248 /nfs/dbraw/zinc/64/32/48/704643248.db2.gz SFRMREXCXFATIQ-AWEZNQCLSA-N 1 1 315.333 1.059 20 5 DDBDMO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000824002999 705352519 /nfs/dbraw/zinc/35/25/19/705352519.db2.gz LCFJYEHIXOROSD-NEPJUHHUSA-N 1 1 319.365 1.925 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000861385804 705452715 /nfs/dbraw/zinc/45/27/15/705452715.db2.gz VYXTXNNCWAVWMT-UHFFFAOYSA-N 1 1 316.317 1.643 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863319843 705900484 /nfs/dbraw/zinc/90/04/84/705900484.db2.gz QBMUFEZIHUGANZ-KUGGDMIFSA-N 1 1 319.361 1.181 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827269757 705965023 /nfs/dbraw/zinc/96/50/23/705965023.db2.gz ZUSKEJGTJNQOAH-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827310041 705972742 /nfs/dbraw/zinc/97/27/42/705972742.db2.gz JJKDZNCTCYJWRH-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000827459524 706006835 /nfs/dbraw/zinc/00/68/35/706006835.db2.gz LMLBUQVYBVEQGL-CYBMUJFWSA-N 1 1 321.381 1.233 20 5 DDBDMO CO[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878165760 706312292 /nfs/dbraw/zinc/31/22/92/706312292.db2.gz DOMPHTWDTMLJAU-SNVBAGLBSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878165760 706312294 /nfs/dbraw/zinc/31/22/94/706312294.db2.gz DOMPHTWDTMLJAU-SNVBAGLBSA-N 1 1 304.306 1.866 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865067154 706341451 /nfs/dbraw/zinc/34/14/51/706341451.db2.gz NKFZMFVNADVBBF-UHFFFAOYSA-N 1 1 306.297 1.598 20 5 DDBDMO Cn1nnnc1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286531 706347596 /nfs/dbraw/zinc/34/75/96/706347596.db2.gz QCTORVWPNQDTLS-UHFFFAOYSA-N 1 1 302.338 1.325 20 5 DDBDMO C[C@](O)(C[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303412 706352260 /nfs/dbraw/zinc/35/22/60/706352260.db2.gz PYUXGDIMAGHWMI-YOEHRIQHSA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@](O)(C[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303412 706352261 /nfs/dbraw/zinc/35/22/61/706352261.db2.gz PYUXGDIMAGHWMI-YOEHRIQHSA-N 1 1 320.389 1.865 20 5 DDBDMO Cn1nnnc1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879916356 706818215 /nfs/dbraw/zinc/81/82/15/706818215.db2.gz BYBSGWWJRLJJOC-UHFFFAOYSA-N 1 1 320.328 1.637 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832450853 706917025 /nfs/dbraw/zinc/91/70/25/706917025.db2.gz POVCLOHFRFQGCJ-GJZGRUSLSA-N 1 1 321.377 1.619 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000880438417 706976423 /nfs/dbraw/zinc/97/64/23/706976423.db2.gz GVQVSSOQKLFHAH-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832908240 706997625 /nfs/dbraw/zinc/99/76/25/706997625.db2.gz HJAFSZMXKGDSKJ-BXUZGUMPSA-N 1 1 309.366 1.473 20 5 DDBDMO C[C@H]([NH2+]CCCS(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872032654 707283673 /nfs/dbraw/zinc/28/36/73/707283673.db2.gz XGOLQEHBFSVJGX-VIFPVBQESA-N 1 1 304.343 1.819 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872319240 707380430 /nfs/dbraw/zinc/38/04/30/707380430.db2.gz BOWFMTCKPFEVLS-UHFFFAOYSA-N 1 1 316.365 1.447 20 5 DDBDMO Cc1c(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873041913 707705396 /nfs/dbraw/zinc/70/53/96/707705396.db2.gz CHPBNSMHIJFRJN-CQSZACIVSA-N 1 1 320.437 1.876 20 5 DDBDMO CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000873296980 707802258 /nfs/dbraw/zinc/80/22/58/707802258.db2.gz ORDBLJNXCCSDEL-SUHUHFCYSA-N 1 1 307.350 1.539 20 5 DDBDMO O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000838913010 708002372 /nfs/dbraw/zinc/00/23/72/708002372.db2.gz VJTVWVXZYVXCIC-OKILXGFUSA-N 1 1 306.318 1.615 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000896650108 708108077 /nfs/dbraw/zinc/10/80/77/708108077.db2.gz CXLCCTQLXNOYHE-CYBMUJFWSA-N 1 1 320.393 1.860 20 5 DDBDMO Cc1c(CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898494386 708657453 /nfs/dbraw/zinc/65/74/53/708657453.db2.gz AIERBNDACIWHEI-CQSZACIVSA-N 1 1 323.368 1.996 20 5 DDBDMO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000898494386 708657457 /nfs/dbraw/zinc/65/74/57/708657457.db2.gz AIERBNDACIWHEI-CQSZACIVSA-N 1 1 323.368 1.996 20 5 DDBDMO CCC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000886099364 708698252 /nfs/dbraw/zinc/69/82/52/708698252.db2.gz YCOUMOUUFTXCCA-HNNXBMFYSA-N 1 1 322.409 1.923 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593164 708785769 /nfs/dbraw/zinc/78/57/69/708785769.db2.gz JTLGLSOFOVPAGF-GFCCVEGCSA-N 1 1 323.397 1.439 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593164 708785770 /nfs/dbraw/zinc/78/57/70/708785770.db2.gz JTLGLSOFOVPAGF-GFCCVEGCSA-N 1 1 323.397 1.439 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900160822 709311498 /nfs/dbraw/zinc/31/14/98/709311498.db2.gz ZUNCBDSAYAKBDW-MRXNPFEDSA-N 1 1 321.377 1.400 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)n1 ZINC000910279790 709862581 /nfs/dbraw/zinc/86/25/81/709862581.db2.gz NCCTXQRPUDQRJA-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000928447860 713201141 /nfs/dbraw/zinc/20/11/41/713201141.db2.gz AHXPGXYLZZGPRL-TVQRCGJNSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000928459991 713206139 /nfs/dbraw/zinc/20/61/39/713206139.db2.gz YYGSZSDOSAXUHI-GXFFZTMASA-N 1 1 317.349 1.153 20 5 DDBDMO C[C@@H]1[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC[N@H+]1C ZINC000911474176 710813128 /nfs/dbraw/zinc/81/31/28/710813128.db2.gz KWVNQFSHKFRZSR-PSASIEDQSA-N 1 1 313.304 1.829 20 5 DDBDMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000894016735 710928874 /nfs/dbraw/zinc/92/88/74/710928874.db2.gz VJJCUPAFSPLQEB-RWMBFGLXSA-N 1 1 318.377 1.859 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000894591674 711199131 /nfs/dbraw/zinc/19/91/31/711199131.db2.gz TXPXEUKBMSBUSB-UHFFFAOYSA-N 1 1 322.287 1.369 20 5 DDBDMO C[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894886954 711309135 /nfs/dbraw/zinc/30/91/35/711309135.db2.gz XUXJICKEPUKWKN-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1CO ZINC000894886954 711309137 /nfs/dbraw/zinc/30/91/37/711309137.db2.gz XUXJICKEPUKWKN-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000895161671 711438192 /nfs/dbraw/zinc/43/81/92/711438192.db2.gz SSVCJEZNNHARQC-NSHDSACASA-N 1 1 316.361 1.953 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000895161671 711438194 /nfs/dbraw/zinc/43/81/94/711438194.db2.gz SSVCJEZNNHARQC-NSHDSACASA-N 1 1 316.361 1.953 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895734804 711590352 /nfs/dbraw/zinc/59/03/52/711590352.db2.gz AUPOKUSTSAFVKI-MWLCHTKSSA-N 1 1 308.338 1.589 20 5 DDBDMO Nc1ccc(NC[C@H]2CC[N@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896523026 711738000 /nfs/dbraw/zinc/73/80/00/711738000.db2.gz LYKGNZVNOQOPIZ-CYBMUJFWSA-N 1 1 306.366 1.842 20 5 DDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1c1ccc(Cl)c(F)c1 ZINC000905189924 711963486 /nfs/dbraw/zinc/96/34/86/711963486.db2.gz JNDKNMBRANGKPJ-LLVKDONJSA-N 1 1 301.705 1.451 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000905984564 712209625 /nfs/dbraw/zinc/20/96/25/712209625.db2.gz NCNNTYGLVNKZES-MXWKQRLJSA-N 1 1 309.370 1.039 20 5 DDBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000914300034 713372999 /nfs/dbraw/zinc/37/29/99/713372999.db2.gz HTEHOWVAIWSVAU-ZYHUDNBSSA-N 1 1 322.365 1.495 20 5 DDBDMO COC(=O)[C@]1(NCC[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000930151969 713768270 /nfs/dbraw/zinc/76/82/70/713768270.db2.gz LCIZYEGFWABZKM-INIZCTEOSA-N 1 1 321.377 1.061 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C4OCCO4)C3)nc2c1 ZINC000932001119 714229623 /nfs/dbraw/zinc/22/96/23/714229623.db2.gz KMJQDXGDKYVTPB-JTQLQIEISA-N 1 1 318.333 1.666 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C4OCCO4)C3)nc2c1 ZINC000932001119 714229625 /nfs/dbraw/zinc/22/96/25/714229625.db2.gz KMJQDXGDKYVTPB-JTQLQIEISA-N 1 1 318.333 1.666 20 5 DDBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932438781 714331364 /nfs/dbraw/zinc/33/13/64/714331364.db2.gz UMVWROSVRIQQCO-LLVKDONJSA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000932438781 714331366 /nfs/dbraw/zinc/33/13/66/714331366.db2.gz UMVWROSVRIQQCO-LLVKDONJSA-N 1 1 309.370 1.170 20 5 DDBDMO COC[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000933329469 714563856 /nfs/dbraw/zinc/56/38/56/714563856.db2.gz JCPKNKSIYRPADB-LBPRGKRZSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000933329469 714563859 /nfs/dbraw/zinc/56/38/59/714563859.db2.gz JCPKNKSIYRPADB-LBPRGKRZSA-N 1 1 323.349 1.271 20 5 DDBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000933760147 714666047 /nfs/dbraw/zinc/66/60/47/714666047.db2.gz QMHZPWBFYBPASN-LRDDRELGSA-N 1 1 319.361 1.561 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000934547763 714848410 /nfs/dbraw/zinc/84/84/10/714848410.db2.gz JEJQFWUGRDZFLK-CYBMUJFWSA-N 1 1 323.397 1.194 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164637378 719161069 /nfs/dbraw/zinc/16/10/69/719161069.db2.gz OKGXOHOZYHVQBG-VHSXEESVSA-N 1 1 308.338 1.305 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000351508211 719250608 /nfs/dbraw/zinc/25/06/08/719250608.db2.gz GKEJBALPRLSIPC-WDEREUQCSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000351508211 719250609 /nfs/dbraw/zinc/25/06/09/719250609.db2.gz GKEJBALPRLSIPC-WDEREUQCSA-N 1 1 322.365 1.695 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063605 734368164 /nfs/dbraw/zinc/36/81/64/734368164.db2.gz FWBWCMDAKVZSON-LYIQGSDWSA-N 1 1 309.391 1.193 20 5 DDBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001125542684 734451908 /nfs/dbraw/zinc/45/19/08/734451908.db2.gz UJKJILJPBVVAMD-UHFFFAOYSA-N 1 1 317.349 1.075 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC1 ZINC001025645505 736808246 /nfs/dbraw/zinc/80/82/46/736808246.db2.gz ANTHJZMGYYPEKT-FICVDOATSA-N 1 1 301.346 1.551 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775474 736853265 /nfs/dbraw/zinc/85/32/65/736853265.db2.gz CLHOPWQTGIPTRP-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775474 736853268 /nfs/dbraw/zinc/85/32/68/736853268.db2.gz CLHOPWQTGIPTRP-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775474 736853270 /nfs/dbraw/zinc/85/32/70/736853270.db2.gz CLHOPWQTGIPTRP-LJIZCISZSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(NCC[NH2+]Cc1cccc(Cl)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126932315 742777101 /nfs/dbraw/zinc/77/71/01/742777101.db2.gz RVGSJGHVXXKQAP-MWLCHTKSSA-N 1 1 315.732 1.350 20 5 DDBDMO Cc1cccc(Cl)c1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936277 742831084 /nfs/dbraw/zinc/83/10/84/742831084.db2.gz DTKRSNYHPKMXJM-ZWNOBZJWSA-N 1 1 311.769 1.519 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208404 743780522 /nfs/dbraw/zinc/78/05/22/743780522.db2.gz KBTPCSOUHKYHAL-YPMHNXCESA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698208404 743780526 /nfs/dbraw/zinc/78/05/26/743780526.db2.gz KBTPCSOUHKYHAL-YPMHNXCESA-N 1 1 300.742 1.566 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC001184820537 744108393 /nfs/dbraw/zinc/10/83/93/744108393.db2.gz MAMYYVNCMNRJTI-LBPRGKRZSA-N 1 1 309.370 1.019 20 5 DDBDMO CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[N@@H+](C)C(C)C ZINC001106778868 746064867 /nfs/dbraw/zinc/06/48/67/746064867.db2.gz LEKPZBOCZKFGSY-UHFFFAOYSA-N 1 1 323.397 1.590 20 5 DDBDMO Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996430048 749588709 /nfs/dbraw/zinc/58/87/09/749588709.db2.gz YXOXEIMHRPGQQW-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107280245 749725808 /nfs/dbraw/zinc/72/58/08/749725808.db2.gz KCPOKOSXAZUPNK-PLNGDYQASA-N 1 1 321.381 1.416 20 5 DDBDMO COC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022097 762200775 /nfs/dbraw/zinc/20/07/75/762200775.db2.gz MUZSECJYXQWMOG-ZJIFWQFVSA-N 1 1 312.410 1.949 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055295 762209821 /nfs/dbraw/zinc/20/98/21/762209821.db2.gz PBRHVCPJGUSICP-FRRDWIJNSA-N 1 1 300.355 1.086 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055295 762209829 /nfs/dbraw/zinc/20/98/29/762209829.db2.gz PBRHVCPJGUSICP-FRRDWIJNSA-N 1 1 300.355 1.086 20 5 DDBDMO C=CC(=O)NCCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001169813693 762686105 /nfs/dbraw/zinc/68/61/05/762686105.db2.gz LPAXNNZLCWGOPP-UHFFFAOYSA-N 1 1 304.350 1.297 20 5 DDBDMO C=CC(=O)NCCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001169813693 762686110 /nfs/dbraw/zinc/68/61/10/762686110.db2.gz LPAXNNZLCWGOPP-UHFFFAOYSA-N 1 1 304.350 1.297 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001159783455 771924333 /nfs/dbraw/zinc/92/43/33/771924333.db2.gz CXGASTJZVZHZHN-LLVKDONJSA-N 1 1 310.745 1.627 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136444167 771969433 /nfs/dbraw/zinc/96/94/33/771969433.db2.gz CQCSSZUFUUEYEK-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO CN(C)c1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc[nH+]1 ZINC001148924741 773651705 /nfs/dbraw/zinc/65/17/05/773651705.db2.gz XGJGPJUPRYMPAH-UHFFFAOYSA-N 1 1 302.294 1.285 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093953310 775261992 /nfs/dbraw/zinc/26/19/92/775261992.db2.gz WNHZPSIMTMBWJC-UHFFFAOYSA-N 1 1 308.382 1.853 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094667495 776149301 /nfs/dbraw/zinc/14/93/01/776149301.db2.gz UEEDLOYTISLGJE-UHFFFAOYSA-N 1 1 317.349 1.718 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001171936518 776536346 /nfs/dbraw/zinc/53/63/46/776536346.db2.gz BKJLBXHVRVZDOR-OCVGTWLNSA-N 1 1 306.362 1.721 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001173227588 777062193 /nfs/dbraw/zinc/06/21/93/777062193.db2.gz RCKIUXRDKGIMCO-WMLDXEAASA-N 1 1 319.405 1.932 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001116442118 780510155 /nfs/dbraw/zinc/51/01/55/780510155.db2.gz IHJOAANFQBJTMH-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001116442118 780510159 /nfs/dbraw/zinc/51/01/59/780510159.db2.gz IHJOAANFQBJTMH-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001120059083 781741737 /nfs/dbraw/zinc/74/17/37/781741737.db2.gz CZZSBHCZNFTIBZ-ZYHUDNBSSA-N 1 1 309.395 1.685 20 5 DDBDMO C[N@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194118 837510340 /nfs/dbraw/zinc/51/03/40/837510340.db2.gz IYRBDORYQRGVDO-PLHDSQEVSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194118 837510343 /nfs/dbraw/zinc/51/03/43/837510343.db2.gz IYRBDORYQRGVDO-PLHDSQEVSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@H+](CC/C=C\c1ccccc1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194118 837510346 /nfs/dbraw/zinc/51/03/46/837510346.db2.gz IYRBDORYQRGVDO-PLHDSQEVSA-N 1 1 317.389 1.803 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncccc1C ZINC001267314120 837806039 /nfs/dbraw/zinc/80/60/39/837806039.db2.gz IYILPONPPLJKQM-UKRRQHHQSA-N 1 1 320.393 1.383 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncccc1C ZINC001267314120 837806054 /nfs/dbraw/zinc/80/60/54/837806054.db2.gz IYILPONPPLJKQM-UKRRQHHQSA-N 1 1 320.393 1.383 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncccc1C ZINC001267314120 837806068 /nfs/dbraw/zinc/80/60/68/837806068.db2.gz IYILPONPPLJKQM-UKRRQHHQSA-N 1 1 320.393 1.383 20 5 DDBDMO CN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371572 837933876 /nfs/dbraw/zinc/93/38/76/837933876.db2.gz MNURSZIZQRDTLO-RKDXNWHRSA-N 1 1 318.786 1.010 20 5 DDBDMO O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001326823795 861633967 /nfs/dbraw/zinc/63/39/67/861633967.db2.gz ZBCCBIFSBSTDGS-ZIAGYGMSSA-N 1 1 309.410 1.860 20 5 DDBDMO CC[C@H]1[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021508 850518519 /nfs/dbraw/zinc/51/85/19/850518519.db2.gz LGKQCJPNRMFIDS-CTASWTNQSA-N 1 1 309.410 1.955 20 5 DDBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC001155892649 862536219 /nfs/dbraw/zinc/53/62/19/862536219.db2.gz KSKAISRNXXEDDA-ZANVPECISA-N 1 1 321.333 1.204 20 5 DDBDMO CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001151121704 862636052 /nfs/dbraw/zinc/63/60/52/862636052.db2.gz QYSAKHNHKFXLPY-CHWSQXEVSA-N 1 1 313.398 1.049 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747794 860927851 /nfs/dbraw/zinc/92/78/51/860927851.db2.gz IWQQCAPIFBBLQD-WDEREUQCSA-N 1 1 306.322 1.052 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001157602329 863966757 /nfs/dbraw/zinc/96/67/57/863966757.db2.gz WMKWYKCWQNXLCV-UHFFFAOYSA-N 1 1 319.361 1.333 20 5 DDBDMO O=C(NCCC[NH2+]CCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775026 864129232 /nfs/dbraw/zinc/12/92/32/864129232.db2.gz IHBQUDLKNCAOHR-HUUCEWRRSA-N 1 1 305.378 1.380 20 5 DDBDMO CCOC(=O)C1=C(Nc2ncc([N+](=O)[O-])cc2F)CC[NH2+]C1 ZINC001159453193 865311657 /nfs/dbraw/zinc/31/16/57/865311657.db2.gz UXFJSINVSWAWSX-UHFFFAOYSA-N 1 1 310.285 1.351 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCSCC[NH+]1CCOCC1 ZINC001332260793 865703806 /nfs/dbraw/zinc/70/38/06/865703806.db2.gz GRTKXCGSSRHYQM-UHFFFAOYSA-N 1 1 300.384 1.165 20 5 DDBDMO COc1ncc([N+](=O)[O-])cc1NCCC[NH+]1CCN(C)CC1 ZINC001161708751 866918583 /nfs/dbraw/zinc/91/85/83/866918583.db2.gz VCAXGHLYYVUIGU-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO O=C(NC/C=C\C[NH2+]CCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001321057400 867271062 /nfs/dbraw/zinc/27/10/62/867271062.db2.gz OQSCBMQGSPHXRD-ZYDHHDLOSA-N 1 1 303.362 1.156 20 5 DDBDMO Cc1ncc(Nc2cc(C=C[NH+](C)C)c([N+](=O)[O-])cn2)c(=O)[nH]1 ZINC001162303600 867428100 /nfs/dbraw/zinc/42/81/00/867428100.db2.gz VUIRFZBACHRLPY-ZWNMCFTASA-N 1 1 316.321 1.332 20 5 DDBDMO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001162810297 867844246 /nfs/dbraw/zinc/84/42/46/867844246.db2.gz IODISMHMRDBBSU-HUUCEWRRSA-N 1 1 305.378 1.332 20 5 DDBDMO Cc1ccnc(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001163118339 868117420 /nfs/dbraw/zinc/11/74/20/868117420.db2.gz XERMYRYPQFVLCW-LLVKDONJSA-N 1 1 322.365 1.403 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001298876749 870762983 /nfs/dbraw/zinc/76/29/83/870762983.db2.gz ZPSQURFKPPTVOZ-QMMMGPOBSA-N 1 1 317.777 1.822 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001339998976 870829026 /nfs/dbraw/zinc/82/90/26/870829026.db2.gz LEMQLKCQLXUNRB-MVWJERBFSA-N 1 1 320.349 1.529 20 5 DDBDMO C[N@H+](CCNC(=O)c1cc[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001317446574 870849102 /nfs/dbraw/zinc/84/91/02/870849102.db2.gz FJSCICARUGYEBC-UHFFFAOYSA-N 1 1 302.334 1.785 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001317446574 870849117 /nfs/dbraw/zinc/84/91/17/870849117.db2.gz FJSCICARUGYEBC-UHFFFAOYSA-N 1 1 302.334 1.785 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001340124498 870907317 /nfs/dbraw/zinc/90/73/17/870907317.db2.gz TXWUGSXWXVWOAL-NWDGAFQWSA-N 1 1 310.402 1.412 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001308164982 871475550 /nfs/dbraw/zinc/47/55/50/871475550.db2.gz WWGLQOVHGPDMKT-OLZOCXBDSA-N 1 1 310.350 1.026 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1Cl ZINC001308983841 871544524 /nfs/dbraw/zinc/54/45/24/871544524.db2.gz UYLYCMNRPSDHLG-NWDGAFQWSA-N 1 1 314.769 1.671 20 5 DDBDMO COc1c(O)ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001342829736 872404939 /nfs/dbraw/zinc/40/49/39/872404939.db2.gz LSUYWYYWQDIBSO-CYBMUJFWSA-N 1 1 321.377 1.979 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001347503989 874163234 /nfs/dbraw/zinc/16/32/34/874163234.db2.gz PPNMNHXEMRCNDF-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001354400843 877953709 /nfs/dbraw/zinc/95/37/09/877953709.db2.gz LZAATGFZRANWCD-YNEHKIRRSA-N 1 1 318.377 1.707 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCC[N@@H+](C)C1 ZINC001223449782 880966572 /nfs/dbraw/zinc/96/65/72/880966572.db2.gz GWXQBQGLCCMOPE-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COc1cccc(CO[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001223809724 881107272 /nfs/dbraw/zinc/10/72/72/881107272.db2.gz VIOQLILNTARDKQ-GFCCVEGCSA-N 1 1 310.350 1.841 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCN(C)CC1 ZINC001254558336 896501055 /nfs/dbraw/zinc/50/10/55/896501055.db2.gz FSMRHXREEQUEGL-HNNXBMFYSA-N 1 1 320.437 1.705 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCN(C)CC1 ZINC001254558336 896501066 /nfs/dbraw/zinc/50/10/66/896501066.db2.gz FSMRHXREEQUEGL-HNNXBMFYSA-N 1 1 320.437 1.705 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565879 896505405 /nfs/dbraw/zinc/50/54/05/896505405.db2.gz QUFBCPSGGQNBAJ-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565879 896505411 /nfs/dbraw/zinc/50/54/11/896505411.db2.gz QUFBCPSGGQNBAJ-DOMZBBRYSA-N 1 1 321.377 1.315 20 5 DDBDMO CC(C)[N@@H+](CCO)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001262706584 900321266 /nfs/dbraw/zinc/32/12/66/900321266.db2.gz SSPNFSXACKJXPX-UHFFFAOYSA-N 1 1 322.409 1.909 20 5 DDBDMO CC[C@@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248985855 282123928 /nfs/dbraw/zinc/12/39/28/282123928.db2.gz WGWXTUYPBZTOOJ-CJNGLKHVSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248985855 282123934 /nfs/dbraw/zinc/12/39/34/282123934.db2.gz WGWXTUYPBZTOOJ-CJNGLKHVSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495218714 529441451 /nfs/dbraw/zinc/44/14/51/529441451.db2.gz GHSJYZBGIVUXMP-HNNXBMFYSA-N 1 1 310.350 1.829 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452106357 231303859 /nfs/dbraw/zinc/30/38/59/231303859.db2.gz ZZRYPORAAGHOSH-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000452106357 231303861 /nfs/dbraw/zinc/30/38/61/231303861.db2.gz ZZRYPORAAGHOSH-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452114903 231307449 /nfs/dbraw/zinc/30/74/49/231307449.db2.gz AZEPGPYCJNQKSG-JTQLQIEISA-N 1 1 315.320 1.371 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452114903 231307452 /nfs/dbraw/zinc/30/74/52/231307452.db2.gz AZEPGPYCJNQKSG-JTQLQIEISA-N 1 1 315.320 1.371 20 5 DDBDMO CC(C)C[C@@H]1COCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549254 185302368 /nfs/dbraw/zinc/30/23/68/185302368.db2.gz NQWBLBJJQMGUKX-CQSZACIVSA-N 1 1 309.366 1.503 20 5 DDBDMO CC(C)C[C@@H]1COCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549254 185302369 /nfs/dbraw/zinc/30/23/69/185302369.db2.gz NQWBLBJJQMGUKX-CQSZACIVSA-N 1 1 309.366 1.503 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000305806500 529984068 /nfs/dbraw/zinc/98/40/68/529984068.db2.gz KCGGJXJDSFVEFN-DZGCQCFKSA-N 1 1 321.377 1.677 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000458169030 530054498 /nfs/dbraw/zinc/05/44/98/530054498.db2.gz FBKNZZLLWRYHIR-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358474128 299164998 /nfs/dbraw/zinc/16/49/98/299164998.db2.gz UCULEDQHGCUWLU-CQSZACIVSA-N 1 1 308.338 1.091 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592476 233346047 /nfs/dbraw/zinc/34/60/47/233346047.db2.gz UOZXUZOCPZUJGE-HNNXBMFYSA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592476 233346057 /nfs/dbraw/zinc/34/60/57/233346057.db2.gz UOZXUZOCPZUJGE-HNNXBMFYSA-N 1 1 324.381 1.882 20 5 DDBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000150713050 186059151 /nfs/dbraw/zinc/05/91/51/186059151.db2.gz JEZKURJDINMBPA-CYBMUJFWSA-N 1 1 321.377 1.222 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000155667436 186101238 /nfs/dbraw/zinc/10/12/38/186101238.db2.gz SMHJSAAFXPYIHT-NSHDSACASA-N 1 1 322.365 1.403 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000155698523 186104600 /nfs/dbraw/zinc/10/46/00/186104600.db2.gz QIDCXTLBTPEKTI-OCCSQVGLSA-N 1 1 305.378 1.982 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000617353011 363067240 /nfs/dbraw/zinc/06/72/40/363067240.db2.gz AOULUCJRNYPYKT-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000617353011 363067241 /nfs/dbraw/zinc/06/72/41/363067241.db2.gz AOULUCJRNYPYKT-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047268316 352488467 /nfs/dbraw/zinc/48/84/67/352488467.db2.gz JNTCTNCQJGDGEI-HUUCEWRRSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047295363 352489440 /nfs/dbraw/zinc/48/94/40/352489440.db2.gz BQBZVMXICACNEW-KGLIPLIRSA-N 1 1 309.410 1.957 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000057159505 352802135 /nfs/dbraw/zinc/80/21/35/352802135.db2.gz FHZDBNUAPGHFAN-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000058276454 352841378 /nfs/dbraw/zinc/84/13/78/352841378.db2.gz IFIPFSOOIMOGSN-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@H](O)CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075783736 353379573 /nfs/dbraw/zinc/37/95/73/353379573.db2.gz HIAOAKKLAKTIJL-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075783736 353379575 /nfs/dbraw/zinc/37/95/75/353379575.db2.gz HIAOAKKLAKTIJL-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000174651295 198365425 /nfs/dbraw/zinc/36/54/25/198365425.db2.gz AKYRBIGCARJOHW-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000174657040 198366487 /nfs/dbraw/zinc/36/64/87/198366487.db2.gz AQCXSAHEEAAVIC-ONGXEEELSA-N 1 1 322.287 1.427 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620886 353525144 /nfs/dbraw/zinc/52/51/44/353525144.db2.gz YYPQVGHWWICMHI-LLVKDONJSA-N 1 1 314.345 1.808 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620886 353525149 /nfs/dbraw/zinc/52/51/49/353525149.db2.gz YYPQVGHWWICMHI-LLVKDONJSA-N 1 1 314.345 1.808 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000089265368 353763304 /nfs/dbraw/zinc/76/33/04/353763304.db2.gz YSDDPTQTPYYISZ-NSHDSACASA-N 1 1 322.365 1.372 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093332557 353895750 /nfs/dbraw/zinc/89/57/50/353895750.db2.gz CTVDNZOZQZCBST-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093332557 353895752 /nfs/dbraw/zinc/89/57/52/353895752.db2.gz CTVDNZOZQZCBST-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000108298395 353949424 /nfs/dbraw/zinc/94/94/24/353949424.db2.gz BDQWAIYUVUKWCM-LBPRGKRZSA-N 1 1 321.381 1.127 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000141332026 354139646 /nfs/dbraw/zinc/13/96/46/354139646.db2.gz XGBODVFMKSORMP-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO O=[N+]([O-])c1c(N2CCC[N@H+]3CCC[C@@H]3C2)nc2sccn21 ZINC000142898104 354146890 /nfs/dbraw/zinc/14/68/90/354146890.db2.gz SYNGYWOYZZWHLP-SNVBAGLBSA-N 1 1 307.379 1.979 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000156827093 354222466 /nfs/dbraw/zinc/22/24/66/354222466.db2.gz SHGWGBVPXFSMOK-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000156827093 354222472 /nfs/dbraw/zinc/22/24/72/354222472.db2.gz SHGWGBVPXFSMOK-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000157689903 354227035 /nfs/dbraw/zinc/22/70/35/354227035.db2.gz XJFLPXCFSXWLHF-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000157689903 354227038 /nfs/dbraw/zinc/22/70/38/354227038.db2.gz XJFLPXCFSXWLHF-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO C[N@@H+](C[C@@H](O)C1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708928 354470636 /nfs/dbraw/zinc/47/06/36/354470636.db2.gz FJOOCMTZJGLBQH-LSDHHAIUSA-N 1 1 319.361 1.403 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586801864 354868361 /nfs/dbraw/zinc/86/83/61/354868361.db2.gz XVBVFEXILPNFQE-LBPRGKRZSA-N 1 1 301.306 1.234 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000586801864 354868363 /nfs/dbraw/zinc/86/83/63/354868363.db2.gz XVBVFEXILPNFQE-LBPRGKRZSA-N 1 1 301.306 1.234 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000588823605 354939345 /nfs/dbraw/zinc/93/93/45/354939345.db2.gz LDXZRTJOCAWLMB-LBPRGKRZSA-N 1 1 309.370 1.031 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@H+]1C1CC1 ZINC000589584114 355002332 /nfs/dbraw/zinc/00/23/32/355002332.db2.gz GCANXYHTCVQIKG-BXKDBHETSA-N 1 1 306.366 1.706 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590010689 355040765 /nfs/dbraw/zinc/04/07/65/355040765.db2.gz OTTZBKPGGDFLLC-OCCSQVGLSA-N 1 1 318.377 1.478 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000590381710 355079154 /nfs/dbraw/zinc/07/91/54/355079154.db2.gz BPEMHNDWXHCBLU-ZDUSSCGKSA-N 1 1 308.334 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000590381710 355079155 /nfs/dbraw/zinc/07/91/55/355079155.db2.gz BPEMHNDWXHCBLU-ZDUSSCGKSA-N 1 1 308.334 1.728 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000590402429 355085330 /nfs/dbraw/zinc/08/53/30/355085330.db2.gz UCFTWWSWWZLAFS-LSDHHAIUSA-N 1 1 319.361 1.530 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000590550117 355110888 /nfs/dbraw/zinc/11/08/88/355110888.db2.gz MFVMWJNHCAXSDI-CYBMUJFWSA-N 1 1 320.393 1.786 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590443376 355097886 /nfs/dbraw/zinc/09/78/86/355097886.db2.gz IMZHFRHEEDPNJG-SMDDNHRTSA-N 1 1 305.334 1.136 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590447663 355099138 /nfs/dbraw/zinc/09/91/38/355099138.db2.gz ZRENJKZSRAHWEG-ZWNOBZJWSA-N 1 1 305.334 1.380 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000590663891 355140190 /nfs/dbraw/zinc/14/01/90/355140190.db2.gz ACEIBRIHMVWEFY-GXFFZTMASA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000590663891 355140191 /nfs/dbraw/zinc/14/01/91/355140191.db2.gz ACEIBRIHMVWEFY-GXFFZTMASA-N 1 1 308.334 1.584 20 5 DDBDMO CN1C[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037766 355237000 /nfs/dbraw/zinc/23/70/00/355237000.db2.gz ZMZDFWANZDYMPK-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@@H+]1C[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037766 355237001 /nfs/dbraw/zinc/23/70/01/355237001.db2.gz ZMZDFWANZDYMPK-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037766 355237003 /nfs/dbraw/zinc/23/70/03/355237003.db2.gz ZMZDFWANZDYMPK-SWLSCSKDSA-N 1 1 318.377 1.559 20 5 DDBDMO [NH3+]CC[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432154 355581661 /nfs/dbraw/zinc/58/16/61/355581661.db2.gz GKNPKCTXDUTKPH-GFCCVEGCSA-N 1 1 321.377 1.927 20 5 DDBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066441 355785412 /nfs/dbraw/zinc/78/54/12/355785412.db2.gz DFIKAPDUOUSECX-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000593168846 355815836 /nfs/dbraw/zinc/81/58/36/355815836.db2.gz YGVIKRHCJINUQZ-RISCZKNCSA-N 1 1 307.325 1.439 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593392998 355871071 /nfs/dbraw/zinc/87/10/71/355871071.db2.gz XNIDTGJGLDMQFM-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO C[C@H](O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055359 356101724 /nfs/dbraw/zinc/10/17/24/356101724.db2.gz KZDXKESHWMJTCX-FZMZJTMJSA-N 1 1 310.350 1.180 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594419784 356204382 /nfs/dbraw/zinc/20/43/82/356204382.db2.gz RLEVQTSVLOLULK-CHWSQXEVSA-N 1 1 318.377 1.924 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000594575372 356253173 /nfs/dbraw/zinc/25/31/73/356253173.db2.gz FJBRDEJNUGYGRL-GFCCVEGCSA-N 1 1 324.381 1.280 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000594575372 356253174 /nfs/dbraw/zinc/25/31/74/356253174.db2.gz FJBRDEJNUGYGRL-GFCCVEGCSA-N 1 1 324.381 1.280 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080780351 192189860 /nfs/dbraw/zinc/18/98/60/192189860.db2.gz ZNQHXRHTGUZMRC-ZDUSSCGKSA-N 1 1 322.365 1.515 20 5 DDBDMO C[C@@H]1CN(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000595421670 356485539 /nfs/dbraw/zinc/48/55/39/356485539.db2.gz AHJRNGNZACRKRO-CHWSQXEVSA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@@H]1CN(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000595421670 356485540 /nfs/dbraw/zinc/48/55/40/356485540.db2.gz AHJRNGNZACRKRO-CHWSQXEVSA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@@H]1C[NH+](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C[C@@H](C)O1 ZINC000595421670 356485544 /nfs/dbraw/zinc/48/55/44/356485544.db2.gz AHJRNGNZACRKRO-CHWSQXEVSA-N 1 1 320.393 1.457 20 5 DDBDMO CC(=O)NC1CCC([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595422990 356486922 /nfs/dbraw/zinc/48/69/22/356486922.db2.gz CVUORYNURVLJFG-UHFFFAOYSA-N 1 1 310.354 1.770 20 5 DDBDMO CC(=O)NC1CCC([N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595422990 356486925 /nfs/dbraw/zinc/48/69/25/356486925.db2.gz CVUORYNURVLJFG-UHFFFAOYSA-N 1 1 310.354 1.770 20 5 DDBDMO COC[C@@H](C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370249 356468334 /nfs/dbraw/zinc/46/83/34/356468334.db2.gz FYIHJIZBXWPYNJ-DGCLKSJQSA-N 1 1 310.354 1.137 20 5 DDBDMO C[C@@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)C1O ZINC000595743751 356631557 /nfs/dbraw/zinc/63/15/57/356631557.db2.gz QEGNBLJETLHARO-NXEZZACHSA-N 1 1 304.350 1.920 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CNCCO3)CC2)cc1 ZINC000595886664 356692430 /nfs/dbraw/zinc/69/24/30/356692430.db2.gz XXCBFFJEUDUMQH-INIZCTEOSA-N 1 1 321.377 1.426 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000276929788 213183076 /nfs/dbraw/zinc/18/30/76/213183076.db2.gz QRGANFWWAHQVPT-CYBMUJFWSA-N 1 1 321.377 1.952 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2c(Cl)cncc2[N+](=O)[O-])n1C ZINC000596126277 356783381 /nfs/dbraw/zinc/78/33/81/356783381.db2.gz LRUWHJUQPNJWIX-UHFFFAOYSA-N 1 1 310.745 1.477 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596334536 356860188 /nfs/dbraw/zinc/86/01/88/356860188.db2.gz BIOMOBGIIRDYHU-VIFPVBQESA-N 1 1 307.354 1.373 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000596541540 356911899 /nfs/dbraw/zinc/91/18/99/356911899.db2.gz ZAAYMVWAURILDP-GFCCVEGCSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000596541541 356911977 /nfs/dbraw/zinc/91/19/77/356911977.db2.gz ZAAYMVWAURILDP-LBPRGKRZSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]3COC[C@H]3C1)OCCO2 ZINC000597231770 357103632 /nfs/dbraw/zinc/10/36/32/357103632.db2.gz QPCOVUIOGUDPJM-WCQYABFASA-N 1 1 320.345 1.834 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000597854821 357359345 /nfs/dbraw/zinc/35/93/45/357359345.db2.gz MSPQBEOXKBEUHW-NSHDSACASA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597856849 357360506 /nfs/dbraw/zinc/36/05/06/357360506.db2.gz BGSWDXBDZTZFEG-LLVKDONJSA-N 1 1 306.366 1.901 20 5 DDBDMO C[C@H]1CC(F)(F)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623365 357995829 /nfs/dbraw/zinc/99/58/29/357995829.db2.gz OXUUFODZMDMABX-ONGXEEELSA-N 1 1 304.297 1.272 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599673860 358019768 /nfs/dbraw/zinc/01/97/68/358019768.db2.gz UMVSMCHSTQPNLN-COPLHBTASA-N 1 1 307.350 1.625 20 5 DDBDMO CCOc1ccc([C@H](C)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600710232 358290819 /nfs/dbraw/zinc/29/08/19/358290819.db2.gz MUAJAHXTJXTOAZ-AAEUAGOBSA-N 1 1 309.366 1.633 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000358914485 299279565 /nfs/dbraw/zinc/27/95/65/299279565.db2.gz JIPASOZBPDUOSD-LLVKDONJSA-N 1 1 311.386 1.013 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC(CC)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000601791877 358697270 /nfs/dbraw/zinc/69/72/70/358697270.db2.gz OYCZWKBUIMMUOR-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000602840647 359230251 /nfs/dbraw/zinc/23/02/51/359230251.db2.gz OUWDMTLVKNLHCK-LSDHHAIUSA-N 1 1 322.409 1.973 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000602801071 359202026 /nfs/dbraw/zinc/20/20/26/359202026.db2.gz LFFDODLLVLXTAS-CHWSQXEVSA-N 1 1 310.398 1.829 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000602914521 359291428 /nfs/dbraw/zinc/29/14/28/359291428.db2.gz FVRMCLBWQQTHKO-XQQFMLRXSA-N 1 1 322.365 1.492 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000602914521 359291434 /nfs/dbraw/zinc/29/14/34/359291434.db2.gz FVRMCLBWQQTHKO-XQQFMLRXSA-N 1 1 322.365 1.492 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603089708 359395937 /nfs/dbraw/zinc/39/59/37/359395937.db2.gz SRIRMYCVPHLTPX-IAQYHMDHSA-N 1 1 305.334 1.298 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092735 359397617 /nfs/dbraw/zinc/39/76/17/359397617.db2.gz YYXJFDPNFUAGRE-NHYWBVRUSA-N 1 1 305.334 1.298 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000186836259 200019311 /nfs/dbraw/zinc/01/93/11/200019311.db2.gz CQBSLXVHWXBGCE-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO CCO[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604436833 359750615 /nfs/dbraw/zinc/75/06/15/359750615.db2.gz ASQVPBYQBVPZDN-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO [NH3+]C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237848319 202369329 /nfs/dbraw/zinc/36/93/29/202369329.db2.gz BTVIADQPPLBWSP-JTQLQIEISA-N 1 1 303.322 1.425 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188704541 200291342 /nfs/dbraw/zinc/29/13/42/200291342.db2.gz FWUUQNGPLJLNFO-LLVKDONJSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188704541 200291343 /nfs/dbraw/zinc/29/13/43/200291343.db2.gz FWUUQNGPLJLNFO-LLVKDONJSA-N 1 1 307.350 1.042 20 5 DDBDMO COCC[NH+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580893 360476132 /nfs/dbraw/zinc/47/61/32/360476132.db2.gz VYOXURHNJPJSOZ-UHFFFAOYSA-N 1 1 309.322 1.831 20 5 DDBDMO O=[N+]([O-])c1cccc(CNc2nc(N3CCOCC3)cc[nH+]2)c1 ZINC000610908851 360570392 /nfs/dbraw/zinc/57/03/92/360570392.db2.gz OATVQMZCXANKAZ-UHFFFAOYSA-N 1 1 315.333 1.834 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000611088479 360619944 /nfs/dbraw/zinc/61/99/44/360619944.db2.gz YXKGVFQFWIPSRX-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C ZINC000611088479 360619951 /nfs/dbraw/zinc/61/99/51/360619951.db2.gz YXKGVFQFWIPSRX-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611088442 360620071 /nfs/dbraw/zinc/62/00/71/360620071.db2.gz WMJPJUZVFDQFGO-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611088442 360620075 /nfs/dbraw/zinc/62/00/75/360620075.db2.gz WMJPJUZVFDQFGO-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092123 360621493 /nfs/dbraw/zinc/62/14/93/360621493.db2.gz JFIFQSJQYSRZOS-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611211031 360661216 /nfs/dbraw/zinc/66/12/16/360661216.db2.gz HDJFWTHBGXEURE-NSHDSACASA-N 1 1 307.354 1.122 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611528069 360749309 /nfs/dbraw/zinc/74/93/09/360749309.db2.gz BPJFSVPSCRHTDX-LLVKDONJSA-N 1 1 304.350 1.391 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000612110343 360923029 /nfs/dbraw/zinc/92/30/29/360923029.db2.gz DLVXILPDBGJFGS-GHMZBOCLSA-N 1 1 316.304 1.922 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000194012711 201161894 /nfs/dbraw/zinc/16/18/94/201161894.db2.gz HZYXTACCUJKJDT-VHSXEESVSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000194012711 201161896 /nfs/dbraw/zinc/16/18/96/201161896.db2.gz HZYXTACCUJKJDT-VHSXEESVSA-N 1 1 313.379 1.183 20 5 DDBDMO Cc1cnc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000613704767 361526272 /nfs/dbraw/zinc/52/62/72/361526272.db2.gz QVCFDZNISCOOPR-ZDUSSCGKSA-N 1 1 307.398 1.736 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC([C@H]3CCOC3)C1)OCCO2 ZINC000619432131 364006395 /nfs/dbraw/zinc/00/63/95/364006395.db2.gz CWAGQAMVXFYJCW-NSHDSACASA-N 1 1 320.345 1.834 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000264773539 204145408 /nfs/dbraw/zinc/14/54/08/204145408.db2.gz AQDXTXJTPPWJKY-UHFFFAOYSA-N 1 1 324.406 1.443 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000265095352 204392324 /nfs/dbraw/zinc/39/23/24/204392324.db2.gz VIHGRXDACBLQKP-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000282557542 217086873 /nfs/dbraw/zinc/08/68/73/217086873.db2.gz XWOLDAFXJICKFO-ZDUSSCGKSA-N 1 1 312.391 1.504 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000282557542 217086875 /nfs/dbraw/zinc/08/68/75/217086875.db2.gz XWOLDAFXJICKFO-ZDUSSCGKSA-N 1 1 312.391 1.504 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486021 284336397 /nfs/dbraw/zinc/33/63/97/284336397.db2.gz LTSBOBKVIUSAIH-HIFRSBDPSA-N 1 1 314.345 1.751 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000266099725 205097889 /nfs/dbraw/zinc/09/78/89/205097889.db2.gz RFXWJJIJUQMSPJ-UHFFFAOYSA-N 1 1 306.326 1.341 20 5 DDBDMO Cc1ccccc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266436983 205344447 /nfs/dbraw/zinc/34/44/47/205344447.db2.gz LVXSNFQHHQQYSF-OAHLLOKOSA-N 1 1 304.350 1.593 20 5 DDBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1CCC[NH+]1CCOCC1 ZINC000158525133 248310817 /nfs/dbraw/zinc/31/08/17/248310817.db2.gz VPEKMTFFIJUEBA-UHFFFAOYSA-N 1 1 301.730 1.132 20 5 DDBDMO Cc1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284719171 218148856 /nfs/dbraw/zinc/14/88/56/218148856.db2.gz UTHHUGJRDMOMSA-HZPDHXFCSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000159482432 197356526 /nfs/dbraw/zinc/35/65/26/197356526.db2.gz JINJVWZMNLFTIV-IUCAKERBSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000159482432 197356528 /nfs/dbraw/zinc/35/65/28/197356528.db2.gz JINJVWZMNLFTIV-IUCAKERBSA-N 1 1 315.757 1.888 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000105824060 194137695 /nfs/dbraw/zinc/13/76/95/194137695.db2.gz HAKDHCBKAAFMLC-CHWSQXEVSA-N 1 1 307.394 1.790 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000340967282 251308168 /nfs/dbraw/zinc/30/81/68/251308168.db2.gz APIIOZLTLMXDTA-NSHDSACASA-N 1 1 304.350 1.360 20 5 DDBDMO CCNC(=O)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350394 184295238 /nfs/dbraw/zinc/29/52/38/184295238.db2.gz SNIOBYMUSPNTLA-UHFFFAOYSA-N 1 1 322.365 1.651 20 5 DDBDMO CCNC(=O)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350394 184295239 /nfs/dbraw/zinc/29/52/39/184295239.db2.gz SNIOBYMUSPNTLA-UHFFFAOYSA-N 1 1 322.365 1.651 20 5 DDBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864618 532954018 /nfs/dbraw/zinc/95/40/18/532954018.db2.gz ZXEVRKUAACTEAM-UONOGXRCSA-N 1 1 321.377 1.646 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120213922 195120742 /nfs/dbraw/zinc/12/07/42/195120742.db2.gz WIEOXRWJQMJDIS-UHFFFAOYSA-N 1 1 317.349 1.725 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000352590973 285161552 /nfs/dbraw/zinc/16/15/52/285161552.db2.gz PPLSADPEGVGDJS-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155319552 197043816 /nfs/dbraw/zinc/04/38/16/197043816.db2.gz DKHJMEZFAGKRKW-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000154904284 197003940 /nfs/dbraw/zinc/00/39/40/197003940.db2.gz VYMZUZPTLAMBIX-JSGCOSHPSA-N 1 1 321.381 1.124 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000154978643 197010115 /nfs/dbraw/zinc/01/01/15/197010115.db2.gz PZBGMYSZOMRBKO-JTQLQIEISA-N 1 1 323.349 1.309 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000154978643 197010117 /nfs/dbraw/zinc/01/01/17/197010117.db2.gz PZBGMYSZOMRBKO-JTQLQIEISA-N 1 1 323.349 1.309 20 5 DDBDMO C[N@@H+](CCCNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000121742748 195338163 /nfs/dbraw/zinc/33/81/63/195338163.db2.gz HGOMBYAORYGIPR-UHFFFAOYSA-N 1 1 323.397 1.562 20 5 DDBDMO COC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664937 406884088 /nfs/dbraw/zinc/88/40/88/406884088.db2.gz POUOZFKHKUONEC-LLVKDONJSA-N 1 1 308.338 1.429 20 5 DDBDMO CN(C(=O)C[N@H+](C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000076299269 406962343 /nfs/dbraw/zinc/96/23/43/406962343.db2.gz RICJNQHBPFZCQZ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000076299269 406962346 /nfs/dbraw/zinc/96/23/46/406962346.db2.gz RICJNQHBPFZCQZ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078622690 407036648 /nfs/dbraw/zinc/03/66/48/407036648.db2.gz XXDYVOIBKKEDOD-UHFFFAOYSA-N 1 1 314.345 1.289 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621142 407036910 /nfs/dbraw/zinc/03/69/10/407036910.db2.gz JFWPYRGKIRQXAU-LLVKDONJSA-N 1 1 314.345 1.808 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621142 407036913 /nfs/dbraw/zinc/03/69/13/407036913.db2.gz JFWPYRGKIRQXAU-LLVKDONJSA-N 1 1 314.345 1.808 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000061604584 407228858 /nfs/dbraw/zinc/22/88/58/407228858.db2.gz JSEDJZATEXNZCO-UHFFFAOYSA-N 1 1 319.361 1.670 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000102341156 407322005 /nfs/dbraw/zinc/32/20/05/407322005.db2.gz DUSLWFPPUQNIKY-UHFFFAOYSA-N 1 1 321.381 1.105 20 5 DDBDMO CC[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067374425 407272202 /nfs/dbraw/zinc/27/22/02/407272202.db2.gz VWAXVGFLZLBVPT-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124569575 407362392 /nfs/dbraw/zinc/36/23/92/407362392.db2.gz SGFUAXNSFBZDOJ-HNNXBMFYSA-N 1 1 310.350 1.829 20 5 DDBDMO C[NH+](C)C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478672 407580392 /nfs/dbraw/zinc/58/03/92/407580392.db2.gz JRIXGMMSFXWKNJ-ZDUSSCGKSA-N 1 1 320.393 1.807 20 5 DDBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000114487334 407584322 /nfs/dbraw/zinc/58/43/22/407584322.db2.gz BLCJKNSWSXUTEX-UHFFFAOYSA-N 1 1 309.366 1.650 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114062255 407534444 /nfs/dbraw/zinc/53/44/44/407534444.db2.gz WZIMANYCLBZJTG-LLVKDONJSA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114062255 407534453 /nfs/dbraw/zinc/53/44/53/407534453.db2.gz WZIMANYCLBZJTG-LLVKDONJSA-N 1 1 323.349 1.583 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271357147 407650286 /nfs/dbraw/zinc/65/02/86/407650286.db2.gz FVTFYVODFCOMRK-LBPRGKRZSA-N 1 1 323.397 1.426 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)C1 ZINC000266922691 407677489 /nfs/dbraw/zinc/67/74/89/407677489.db2.gz MIOJDRXESDLHHN-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186755923 407765096 /nfs/dbraw/zinc/76/50/96/407765096.db2.gz HKYPRQOCVOWYLG-NSHDSACASA-N 1 1 321.381 1.566 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117292038 407822866 /nfs/dbraw/zinc/82/28/66/407822866.db2.gz ASLBAUYKPXHBIM-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000117292038 407822877 /nfs/dbraw/zinc/82/28/77/407822877.db2.gz ASLBAUYKPXHBIM-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187132355 407826020 /nfs/dbraw/zinc/82/60/20/407826020.db2.gz WRSBLYZEZHGEOI-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187132355 407826028 /nfs/dbraw/zinc/82/60/28/407826028.db2.gz WRSBLYZEZHGEOI-LLVKDONJSA-N 1 1 308.338 1.125 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000133550278 407855701 /nfs/dbraw/zinc/85/57/01/407855701.db2.gz YXRJVUHWJAOUHU-JQWIXIFHSA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154073088 407965185 /nfs/dbraw/zinc/96/51/85/407965185.db2.gz ZPEPUSSEUVKUTB-VNHYZAJKSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154073088 407965191 /nfs/dbraw/zinc/96/51/91/407965191.db2.gz ZPEPUSSEUVKUTB-VNHYZAJKSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147756 407914224 /nfs/dbraw/zinc/91/42/24/407914224.db2.gz FKWCDIKLEIEZFC-XPTSAGLGSA-N 1 1 307.325 1.946 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272467547 407934970 /nfs/dbraw/zinc/93/49/70/407934970.db2.gz WIABJMJPDXLUSI-WDEREUQCSA-N 1 1 309.370 1.131 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000273069355 408044572 /nfs/dbraw/zinc/04/45/72/408044572.db2.gz ZJJTUTQJSZCCTF-LLVKDONJSA-N 1 1 318.377 1.866 20 5 DDBDMO Cc1nnc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268497003 408069875 /nfs/dbraw/zinc/06/98/75/408069875.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268497003 408069885 /nfs/dbraw/zinc/06/98/85/408069885.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268497003 408069889 /nfs/dbraw/zinc/06/98/89/408069889.db2.gz RIWYDAFKHZSMSX-NSHDSACASA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190031976 408150498 /nfs/dbraw/zinc/15/04/98/408150498.db2.gz WUNRGZWWLALBSE-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190031976 408150502 /nfs/dbraw/zinc/15/05/02/408150502.db2.gz WUNRGZWWLALBSE-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000263650786 408189408 /nfs/dbraw/zinc/18/94/08/408189408.db2.gz GTNLQRBKMGYRHH-LLVKDONJSA-N 1 1 323.397 1.875 20 5 DDBDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182628086 408208229 /nfs/dbraw/zinc/20/82/29/408208229.db2.gz ZGZWIKIGMIJSNK-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182628086 408208235 /nfs/dbraw/zinc/20/82/35/408208235.db2.gz ZGZWIKIGMIJSNK-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156657633 408268806 /nfs/dbraw/zinc/26/88/06/408268806.db2.gz XVVBGWZJJHHFBW-OAHLLOKOSA-N 1 1 305.378 1.938 20 5 DDBDMO CC[C@@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000133102162 162050702 /nfs/dbraw/zinc/05/07/02/162050702.db2.gz JWZNNTMLEDTFNM-CQSZACIVSA-N 1 1 308.338 1.085 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOCC23CCC3)c1 ZINC000135498969 162106083 /nfs/dbraw/zinc/10/60/83/162106083.db2.gz PNEOLDSKLKZQJO-CQSZACIVSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOCC23CCC3)c1 ZINC000135498969 162106084 /nfs/dbraw/zinc/10/60/84/162106084.db2.gz PNEOLDSKLKZQJO-CQSZACIVSA-N 1 1 322.361 1.589 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000190977310 408350369 /nfs/dbraw/zinc/35/03/69/408350369.db2.gz IHQAHHKLMOFWLT-UHFFFAOYSA-N 1 1 324.377 1.837 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195786 408350366 /nfs/dbraw/zinc/35/03/66/408350366.db2.gz CMCIEMWMFLZBEV-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190924374 408343692 /nfs/dbraw/zinc/34/36/92/408343692.db2.gz NHJIIEZLYDTUFR-WXHSDQCUSA-N 1 1 321.377 1.790 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000246977528 408378254 /nfs/dbraw/zinc/37/82/54/408378254.db2.gz GFTGUXUIHIDTMX-WCQYABFASA-N 1 1 309.370 1.026 20 5 DDBDMO CCCn1ccnc1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191504437 408437078 /nfs/dbraw/zinc/43/70/78/408437078.db2.gz OIEQJCOJPNVDAM-UHFFFAOYSA-N 1 1 320.397 1.962 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177030524 408500726 /nfs/dbraw/zinc/50/07/26/408500726.db2.gz FQINRWJALAEYQL-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177133881 408531744 /nfs/dbraw/zinc/53/17/44/408531744.db2.gz FNIMYLZJIQDGDJ-RYUDHWBXSA-N 1 1 319.361 1.715 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248374109 408551859 /nfs/dbraw/zinc/55/18/59/408551859.db2.gz NVWLNCNRYMMPAR-YNEHKIRRSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248374109 408551865 /nfs/dbraw/zinc/55/18/65/408551865.db2.gz NVWLNCNRYMMPAR-YNEHKIRRSA-N 1 1 310.350 1.444 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000265160336 408564220 /nfs/dbraw/zinc/56/42/20/408564220.db2.gz RAUVQEVSVSVJQG-UHFFFAOYSA-N 1 1 321.377 1.577 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184458935 408623378 /nfs/dbraw/zinc/62/33/78/408623378.db2.gz QZKNUEHXTUHXSL-JTQLQIEISA-N 1 1 307.354 1.176 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000248936518 408663481 /nfs/dbraw/zinc/66/34/81/408663481.db2.gz NHKDPQYNPIALBG-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000248936518 408663487 /nfs/dbraw/zinc/66/34/87/408663487.db2.gz NHKDPQYNPIALBG-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO C[NH+](C)C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000275985408 408739457 /nfs/dbraw/zinc/73/94/57/408739457.db2.gz NAAGRZJFIBIRBJ-UHFFFAOYSA-N 1 1 317.349 1.685 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280795052 408835269 /nfs/dbraw/zinc/83/52/69/408835269.db2.gz RLWJNBRSEQYRJB-BONVTDFDSA-N 1 1 320.349 1.119 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](C)OC ZINC000285682115 408841658 /nfs/dbraw/zinc/84/16/58/408841658.db2.gz NFNVEUSRUTZVOK-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](C)OC ZINC000285682115 408841661 /nfs/dbraw/zinc/84/16/61/408841661.db2.gz NFNVEUSRUTZVOK-SNVBAGLBSA-N 1 1 311.338 1.509 20 5 DDBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000188075871 163039838 /nfs/dbraw/zinc/03/98/38/163039838.db2.gz CYRHYJRXBRIIIZ-SNVBAGLBSA-N 1 1 309.391 1.998 20 5 DDBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191506268 163190059 /nfs/dbraw/zinc/19/00/59/163190059.db2.gz AVNHUURKYUWUCB-HNNXBMFYSA-N 1 1 318.377 1.981 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193637218 163262758 /nfs/dbraw/zinc/26/27/58/163262758.db2.gz ATNUHCIATGAWLG-RWMBFGLXSA-N 1 1 318.377 1.415 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286281596 408955141 /nfs/dbraw/zinc/95/51/41/408955141.db2.gz CJXFNGUXFKXUHC-UHFFFAOYSA-N 1 1 308.338 1.039 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000282094569 408990330 /nfs/dbraw/zinc/99/03/30/408990330.db2.gz OWOJEYKSQXETGV-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+](CCO)CCO)c1 ZINC000293129055 409055542 /nfs/dbraw/zinc/05/55/42/409055542.db2.gz PQLTYIAOSFKLLH-UHFFFAOYSA-N 1 1 308.256 1.400 20 5 DDBDMO C[C@H]([C@H](C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCOCC1 ZINC000278376204 409078911 /nfs/dbraw/zinc/07/89/11/409078911.db2.gz DTEKGMJHBFBTON-WDEREUQCSA-N 1 1 319.365 1.992 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391109 409204891 /nfs/dbraw/zinc/20/48/91/409204891.db2.gz UHCKQMIWIBKABR-CJNGLKHVSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000295210694 409377567 /nfs/dbraw/zinc/37/75/67/409377567.db2.gz LNKGICWICNPCIB-AWEZNQCLSA-N 1 1 321.312 1.245 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000295216438 409380301 /nfs/dbraw/zinc/38/03/01/409380301.db2.gz MEGOFCDELPGWQX-HNNXBMFYSA-N 1 1 309.341 1.687 20 5 DDBDMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983342 409388418 /nfs/dbraw/zinc/38/84/18/409388418.db2.gz GFNYMNOZRHTYML-RNCFNFMXSA-N 1 1 305.338 1.295 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000280682786 409408984 /nfs/dbraw/zinc/40/89/84/409408984.db2.gz YWNQNOBQBNATMK-ZDUSSCGKSA-N 1 1 321.377 1.740 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295281886 409411724 /nfs/dbraw/zinc/41/17/24/409411724.db2.gz DBVALEKCJDGWDI-HOTGVXAUSA-N 1 1 321.377 1.379 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1F)C1CC1 ZINC000296100498 409429887 /nfs/dbraw/zinc/42/98/87/409429887.db2.gz ZXCWESOZQWMRBO-VIFPVBQESA-N 1 1 302.277 1.707 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290555348 409443237 /nfs/dbraw/zinc/44/32/37/409443237.db2.gz QXSWNAIFIVJIOC-LLVKDONJSA-N 1 1 321.381 1.765 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347020517 164098365 /nfs/dbraw/zinc/09/83/65/164098365.db2.gz YFTMKMDPPYOKSK-CYBMUJFWSA-N 1 1 321.381 1.185 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000357034104 164136776 /nfs/dbraw/zinc/13/67/76/164136776.db2.gz CEHYZACCFDHIRA-LBPRGKRZSA-N 1 1 321.381 1.323 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408156401 164245509 /nfs/dbraw/zinc/24/55/09/164245509.db2.gz ZJLFGGFCYWXNAQ-NEPJUHHUSA-N 1 1 321.381 1.222 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295445293 409486065 /nfs/dbraw/zinc/48/60/65/409486065.db2.gz AJSCWHSTLHTWNI-NSHDSACASA-N 1 1 318.377 1.733 20 5 DDBDMO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000303989109 409560835 /nfs/dbraw/zinc/56/08/35/409560835.db2.gz KJPVPQOYTVXXDL-LBPRGKRZSA-N 1 1 309.366 1.649 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348839526 409543501 /nfs/dbraw/zinc/54/35/01/409543501.db2.gz WPZILDKHYMOOFL-UHFFFAOYSA-N 1 1 317.349 1.303 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356793987 409611200 /nfs/dbraw/zinc/61/12/00/409611200.db2.gz LWBVGLBWLPTQQB-WDEREUQCSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356793987 409611207 /nfs/dbraw/zinc/61/12/07/409611207.db2.gz LWBVGLBWLPTQQB-WDEREUQCSA-N 1 1 322.365 1.695 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342451398 409642221 /nfs/dbraw/zinc/64/22/21/409642221.db2.gz PAVZHJAPORMNHZ-OTYXRUKQSA-N 1 1 304.350 1.511 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345170671 409655980 /nfs/dbraw/zinc/65/59/80/409655980.db2.gz IVKJNMOZGWWJKW-MNOVXSKESA-N 1 1 306.366 1.613 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356851427 409664881 /nfs/dbraw/zinc/66/48/81/409664881.db2.gz MPTRJULPERWSEL-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356851427 409664887 /nfs/dbraw/zinc/66/48/87/409664887.db2.gz MPTRJULPERWSEL-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000342577197 409733736 /nfs/dbraw/zinc/73/37/36/409733736.db2.gz BGLDWTNZVNQDCV-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296971622 409735859 /nfs/dbraw/zinc/73/58/59/409735859.db2.gz DDMBFXDHPSLTOB-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000296971622 409735866 /nfs/dbraw/zinc/73/58/66/409735866.db2.gz DDMBFXDHPSLTOB-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000296971622 409735870 /nfs/dbraw/zinc/73/58/70/409735870.db2.gz DDMBFXDHPSLTOB-AWEZNQCLSA-N 1 1 315.377 1.801 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCn1cc[nH+]c1C ZINC000338181423 409783221 /nfs/dbraw/zinc/78/32/21/409783221.db2.gz YUARZLNTYZEFAT-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331920957 409799743 /nfs/dbraw/zinc/79/97/43/409799743.db2.gz CAXRIHRYTULLJW-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331920957 409799747 /nfs/dbraw/zinc/79/97/47/409799747.db2.gz CAXRIHRYTULLJW-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000332027113 409816026 /nfs/dbraw/zinc/81/60/26/409816026.db2.gz UHCQXTOZBHWWMH-NWDGAFQWSA-N 1 1 321.381 1.510 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000332027113 409816035 /nfs/dbraw/zinc/81/60/35/409816035.db2.gz UHCQXTOZBHWWMH-NWDGAFQWSA-N 1 1 321.381 1.510 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354391104 409816232 /nfs/dbraw/zinc/81/62/32/409816232.db2.gz JUGUTTHEQTXFQQ-STQMWFEESA-N 1 1 323.397 1.513 20 5 DDBDMO CNc1c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000317158037 409867453 /nfs/dbraw/zinc/86/74/53/409867453.db2.gz SDJCPCRVVRKNKC-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000317158037 409867460 /nfs/dbraw/zinc/86/74/60/409867460.db2.gz SDJCPCRVVRKNKC-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342773043 409894434 /nfs/dbraw/zinc/89/44/34/409894434.db2.gz BNYKMBZVUCRNND-SNVBAGLBSA-N 1 1 315.333 1.421 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342773041 409894908 /nfs/dbraw/zinc/89/49/08/409894908.db2.gz BNYKMBZVUCRNND-JTQLQIEISA-N 1 1 315.333 1.421 20 5 DDBDMO C[C@@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000354548074 409931347 /nfs/dbraw/zinc/93/13/47/409931347.db2.gz RRUWPZCROHOOCK-ZWNOBZJWSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000354548074 409931351 /nfs/dbraw/zinc/93/13/51/409931351.db2.gz RRUWPZCROHOOCK-ZWNOBZJWSA-N 1 1 313.379 1.356 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346657679 410062488 /nfs/dbraw/zinc/06/24/88/410062488.db2.gz LHCKZTKLSZRNRQ-FZMZJTMJSA-N 1 1 308.334 1.857 20 5 DDBDMO CC(C)[N@H+](C)C[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000357585390 410116970 /nfs/dbraw/zinc/11/69/70/410116970.db2.gz VTAJOXGMJUCALG-JTQLQIEISA-N 1 1 319.365 2.384 20 5 DDBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635840 410124850 /nfs/dbraw/zinc/12/48/50/410124850.db2.gz QKRIXZNWIIQUOB-STQMWFEESA-N 1 1 309.366 1.239 20 5 DDBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000351700900 410160414 /nfs/dbraw/zinc/16/04/14/410160414.db2.gz TUWAYWZQIUKYRJ-CHWSQXEVSA-N 1 1 323.397 1.561 20 5 DDBDMO Nc1ccc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000346949189 410272230 /nfs/dbraw/zinc/27/22/30/410272230.db2.gz YEUKAZSVOXJUQM-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351934582 410349959 /nfs/dbraw/zinc/34/99/59/410349959.db2.gz IMWYPIVTIAYWBR-QMTHXVAHSA-N 1 1 307.350 1.544 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346999100 410298804 /nfs/dbraw/zinc/29/88/04/410298804.db2.gz PCXYUSDBCOKDFI-GJZGRUSLSA-N 1 1 317.349 1.384 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000355599164 410599393 /nfs/dbraw/zinc/59/93/93/410599393.db2.gz MWLGLKYWXSNFLC-UHFFFAOYSA-N 1 1 324.333 1.369 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000355599164 410599398 /nfs/dbraw/zinc/59/93/98/410599398.db2.gz MWLGLKYWXSNFLC-UHFFFAOYSA-N 1 1 324.333 1.369 20 5 DDBDMO COC1CC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000352209574 410547837 /nfs/dbraw/zinc/54/78/37/410547837.db2.gz CARKFRSAMJYRSB-CPCZMJQVSA-N 1 1 310.350 1.444 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000301965064 410836884 /nfs/dbraw/zinc/83/68/84/410836884.db2.gz NYLVWFLPOBHREF-RYUDHWBXSA-N 1 1 316.365 1.558 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330673180 410866297 /nfs/dbraw/zinc/86/62/97/410866297.db2.gz OZALNYGVSJDJGQ-LLVKDONJSA-N 1 1 323.349 1.145 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330673180 410866304 /nfs/dbraw/zinc/86/63/04/410866304.db2.gz OZALNYGVSJDJGQ-LLVKDONJSA-N 1 1 323.349 1.145 20 5 DDBDMO C[NH+]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000353326128 410921136 /nfs/dbraw/zinc/92/11/36/410921136.db2.gz BWSLZLMBQZIWTA-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344064107 410933228 /nfs/dbraw/zinc/93/32/28/410933228.db2.gz OSNAMWMAWKDLEC-OXJKWZBOSA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344064107 410933229 /nfs/dbraw/zinc/93/32/29/410933229.db2.gz OSNAMWMAWKDLEC-OXJKWZBOSA-N 1 1 319.361 1.625 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344121039 410971409 /nfs/dbraw/zinc/97/14/09/410971409.db2.gz DZRQLJBNZDCQAO-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344121039 410971415 /nfs/dbraw/zinc/97/14/15/410971415.db2.gz DZRQLJBNZDCQAO-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000344215505 411033241 /nfs/dbraw/zinc/03/32/41/411033241.db2.gz KVGSQMLKHXEROH-VHSXEESVSA-N 1 1 317.349 2.140 20 5 DDBDMO C[NH2+][C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000133061812 196308667 /nfs/dbraw/zinc/30/86/67/196308667.db2.gz UPSNLDSKPOZUIW-SECBINFHSA-N 1 1 303.322 1.295 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296640437 226076837 /nfs/dbraw/zinc/07/68/37/226076837.db2.gz IHGSEAOATIQFKW-OAHLLOKOSA-N 1 1 307.350 1.552 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000373805513 418462048 /nfs/dbraw/zinc/46/20/48/418462048.db2.gz ODQZJDFEPCJMAA-UONOGXRCSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000373805513 418462049 /nfs/dbraw/zinc/46/20/49/418462049.db2.gz ODQZJDFEPCJMAA-UONOGXRCSA-N 1 1 310.354 1.061 20 5 DDBDMO COCCOC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295421458 418586024 /nfs/dbraw/zinc/58/60/24/418586024.db2.gz YFHSXLARNGBGMO-AWEZNQCLSA-N 1 1 312.366 1.093 20 5 DDBDMO O=[N+]([O-])c1ccn(C2CCN(CC[N@H+]3CCCOCC3)CC2)n1 ZINC000361381147 418640778 /nfs/dbraw/zinc/64/07/78/418640778.db2.gz LVIOHRFCIWSCOM-UHFFFAOYSA-N 1 1 323.397 1.151 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000341798423 418626192 /nfs/dbraw/zinc/62/61/92/418626192.db2.gz KYDVACWGURZCKD-GRYCIOLGSA-N 1 1 320.397 1.809 20 5 DDBDMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392744 418634097 /nfs/dbraw/zinc/63/40/97/418634097.db2.gz OTHYUGKJENZTFT-ZDUSSCGKSA-N 1 1 318.381 1.979 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000364611070 418793561 /nfs/dbraw/zinc/79/35/61/418793561.db2.gz YLFFKLLLIHLWRY-GFCCVEGCSA-N 1 1 320.393 1.456 20 5 DDBDMO CCOc1cccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000364855879 418816266 /nfs/dbraw/zinc/81/62/66/418816266.db2.gz NNYVLRRRUDFRGD-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365587278 418878485 /nfs/dbraw/zinc/87/84/85/418878485.db2.gz KLXZKYVHNKTIBK-ARFHVFGLSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000365587278 418878488 /nfs/dbraw/zinc/87/84/88/418878488.db2.gz KLXZKYVHNKTIBK-ARFHVFGLSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000365587278 418878491 /nfs/dbraw/zinc/87/84/91/418878491.db2.gz KLXZKYVHNKTIBK-ARFHVFGLSA-N 1 1 317.389 1.680 20 5 DDBDMO COc1ccc(OCC[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000420943303 419374278 /nfs/dbraw/zinc/37/42/78/419374278.db2.gz POQPOECQNYKBRA-QWHCGFSZSA-N 1 1 324.377 1.933 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411958390 419523195 /nfs/dbraw/zinc/52/31/95/419523195.db2.gz UUHFWBAOEZGHAZ-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000412061859 419608190 /nfs/dbraw/zinc/60/81/90/419608190.db2.gz AKLXPLBKYVCOIC-MGPQQGTHSA-N 1 1 324.377 1.427 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000427597695 419690026 /nfs/dbraw/zinc/69/00/26/419690026.db2.gz XIMOIRKXSVPUJC-ZDUSSCGKSA-N 1 1 319.361 1.912 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000421707063 419694183 /nfs/dbraw/zinc/69/41/83/419694183.db2.gz WQFZKSXIJQPYKR-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CN1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429243976 419990989 /nfs/dbraw/zinc/99/09/89/419990989.db2.gz CUZBTUSNKFVHPE-UHFFFAOYSA-N 1 1 320.393 1.194 20 5 DDBDMO CC(=O)c1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418991945 420039809 /nfs/dbraw/zinc/03/98/09/420039809.db2.gz FFMVPCCEODGBFM-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418991945 420039813 /nfs/dbraw/zinc/03/98/13/420039813.db2.gz FFMVPCCEODGBFM-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794231 420049029 /nfs/dbraw/zinc/04/90/29/420049029.db2.gz WTQKGLWUFBGJIV-FZMZJTMJSA-N 1 1 321.377 1.677 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000423676264 420124075 /nfs/dbraw/zinc/12/40/75/420124075.db2.gz FVNBJDKDMOUCIF-CQSZACIVSA-N 1 1 311.313 1.377 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430940744 420216914 /nfs/dbraw/zinc/21/69/14/420216914.db2.gz QVIWFIOZHAPQQT-VXGBXAGGSA-N 1 1 306.366 1.593 20 5 DDBDMO CC(C)(C)[C@@H](C[NH3+])NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373417 420244304 /nfs/dbraw/zinc/24/43/04/420244304.db2.gz ZDTWQWJJFDYXQR-CYBMUJFWSA-N 1 1 308.382 1.886 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378156 420248477 /nfs/dbraw/zinc/24/84/77/420248477.db2.gz WXEKLIDPMMSVTP-XHBSWPGZSA-N 1 1 320.393 1.900 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303861 420321329 /nfs/dbraw/zinc/32/13/29/420321329.db2.gz HMXGOVLBYDOHJA-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000436009898 420301330 /nfs/dbraw/zinc/30/13/30/420301330.db2.gz WQFWEDXBHYCHOU-VXGBXAGGSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H](C)[NH+]1CCOCC1 ZINC000301959859 230004822 /nfs/dbraw/zinc/00/48/22/230004822.db2.gz HIDUFXOOPKJATL-GHMZBOCLSA-N 1 1 320.353 1.159 20 5 DDBDMO COCCCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690362 230121247 /nfs/dbraw/zinc/12/12/47/230121247.db2.gz SEBKWOPYIVZATP-UHFFFAOYSA-N 1 1 322.365 1.956 20 5 DDBDMO COCCCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444690362 230121251 /nfs/dbraw/zinc/12/12/51/230121251.db2.gz SEBKWOPYIVZATP-UHFFFAOYSA-N 1 1 322.365 1.956 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000444697971 230124184 /nfs/dbraw/zinc/12/41/84/230124184.db2.gz RIFCAGAKKRDMMC-ONGXEEELSA-N 1 1 322.287 1.427 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457105358 420614688 /nfs/dbraw/zinc/61/46/88/420614688.db2.gz CDMQILOOSYOQDT-GFCCVEGCSA-N 1 1 309.370 1.041 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000442132917 420671425 /nfs/dbraw/zinc/67/14/25/420671425.db2.gz QKSDANHFBDIYED-CMPLNLGQSA-N 1 1 320.349 1.132 20 5 DDBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]2CCCCN12 ZINC000453629336 420739130 /nfs/dbraw/zinc/73/91/30/420739130.db2.gz NOBLTICRJVPHLS-SMDDNHRTSA-N 1 1 307.325 1.977 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493298963 420813097 /nfs/dbraw/zinc/81/30/97/420813097.db2.gz ZTFULIUITSYUIV-GFUIURDCSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493298963 420813101 /nfs/dbraw/zinc/81/31/01/420813101.db2.gz ZTFULIUITSYUIV-GFUIURDCSA-N 1 1 319.361 1.133 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455040382 420961059 /nfs/dbraw/zinc/96/10/59/420961059.db2.gz MHSXUUVWXCKUPX-NSHDSACASA-N 1 1 307.354 1.360 20 5 DDBDMO CNc1nc(C(=O)NCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000454920766 420943075 /nfs/dbraw/zinc/94/30/75/420943075.db2.gz LJEAEMZXFCWKJG-UHFFFAOYSA-N 1 1 318.337 1.357 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C(N)=O)c1ccccn1 ZINC000449364561 420998379 /nfs/dbraw/zinc/99/83/79/420998379.db2.gz SHYAZWFTNGFCJI-IAQYHMDHSA-N 1 1 314.345 1.737 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449471446 421017260 /nfs/dbraw/zinc/01/72/60/421017260.db2.gz OWUPOQMRCMJFMF-ZDUSSCGKSA-N 1 1 302.277 1.805 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449471446 421017263 /nfs/dbraw/zinc/01/72/63/421017263.db2.gz OWUPOQMRCMJFMF-ZDUSSCGKSA-N 1 1 302.277 1.805 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455818472 421065410 /nfs/dbraw/zinc/06/54/10/421065410.db2.gz MGXQEPGMZSMXNO-LLVKDONJSA-N 1 1 321.381 1.445 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])nc2)C1 ZINC000450397909 421193312 /nfs/dbraw/zinc/19/33/12/421193312.db2.gz WMGXQDTZXMMBIP-VIFPVBQESA-N 1 1 321.366 1.079 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000514517486 421434636 /nfs/dbraw/zinc/43/46/36/421434636.db2.gz XZDPZKQWMKVGTM-LBPRGKRZSA-N 1 1 306.322 1.559 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563083439 421452361 /nfs/dbraw/zinc/45/23/61/421452361.db2.gz NCGOAUOYPPZCQU-AWEZNQCLSA-N 1 1 307.350 1.257 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563083439 421452362 /nfs/dbraw/zinc/45/23/62/421452362.db2.gz NCGOAUOYPPZCQU-AWEZNQCLSA-N 1 1 307.350 1.257 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548714397 421466152 /nfs/dbraw/zinc/46/61/52/421466152.db2.gz WCSAKWJXGXBNQQ-LLVKDONJSA-N 1 1 321.381 1.566 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000563989956 421564084 /nfs/dbraw/zinc/56/40/84/421564084.db2.gz OCBVGJBYIOMJFL-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000516852235 421571181 /nfs/dbraw/zinc/57/11/81/421571181.db2.gz JAAFMVGLRCJFAL-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000530623247 421610543 /nfs/dbraw/zinc/61/05/43/421610543.db2.gz JFWGETQCAYPRNR-LLVKDONJSA-N 1 1 322.287 1.835 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000530623247 421610546 /nfs/dbraw/zinc/61/05/46/421610546.db2.gz JFWGETQCAYPRNR-LLVKDONJSA-N 1 1 322.287 1.835 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000534514071 421691241 /nfs/dbraw/zinc/69/12/41/421691241.db2.gz AGXLPAXBUDAQNE-ZDUSSCGKSA-N 1 1 302.334 1.211 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC000534514071 421691244 /nfs/dbraw/zinc/69/12/44/421691244.db2.gz AGXLPAXBUDAQNE-ZDUSSCGKSA-N 1 1 302.334 1.211 20 5 DDBDMO CCC[C@@H](NCC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000573108297 421922121 /nfs/dbraw/zinc/92/21/21/421922121.db2.gz LOXHRAFSTVPWFX-OAHLLOKOSA-N 1 1 320.393 1.457 20 5 DDBDMO CC(C)[N@@H+](CCN1C(=O)CCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000193843081 263495185 /nfs/dbraw/zinc/49/51/85/263495185.db2.gz AXOJZUWBDLDYEX-UHFFFAOYSA-N 1 1 319.361 1.954 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341682532 271167078 /nfs/dbraw/zinc/16/70/78/271167078.db2.gz CRDNIDLTWVSBOY-KGLIPLIRSA-N 1 1 321.377 1.505 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342070544 271290344 /nfs/dbraw/zinc/29/03/44/271290344.db2.gz WRPSCGQBBWGEDU-CYBMUJFWSA-N 1 1 309.366 1.384 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344359822 272008513 /nfs/dbraw/zinc/00/85/13/272008513.db2.gz WMDOBFFBYYJPEE-UHFFFAOYSA-N 1 1 324.356 1.101 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408106099 274368022 /nfs/dbraw/zinc/36/80/22/274368022.db2.gz XBISAYXQOTZOKR-NXEZZACHSA-N 1 1 317.349 1.772 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)nc1 ZINC000301526265 275036253 /nfs/dbraw/zinc/03/62/53/275036253.db2.gz JFGYDYIJSBVXJC-KGLIPLIRSA-N 1 1 306.366 1.415 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000301526267 275036295 /nfs/dbraw/zinc/03/62/95/275036295.db2.gz JFGYDYIJSBVXJC-UONOGXRCSA-N 1 1 306.366 1.415 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2cccnc21 ZINC000413230112 275036638 /nfs/dbraw/zinc/03/66/38/275036638.db2.gz KSWGCFUZYOWYLO-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c2cccnc21 ZINC000413230112 275036639 /nfs/dbraw/zinc/03/66/39/275036639.db2.gz KSWGCFUZYOWYLO-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423017456 279599826 /nfs/dbraw/zinc/59/98/26/279599826.db2.gz ORDBLJNXCCSDEL-SCDSUCTJSA-N 1 1 307.350 1.539 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423974077 280192416 /nfs/dbraw/zinc/19/24/16/280192416.db2.gz RQCJMDXLTSYKGV-LLVKDONJSA-N 1 1 318.358 1.838 20 5 DDBDMO Cc1c(CC(=O)NC[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000121834808 281145298 /nfs/dbraw/zinc/14/52/98/281145298.db2.gz DCRGXJORCLALAC-ZDUSSCGKSA-N 1 1 305.378 1.904 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362579775 300101361 /nfs/dbraw/zinc/10/13/61/300101361.db2.gz XRVFWAOSSOQKTB-HOCLYGCPSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362579775 300101363 /nfs/dbraw/zinc/10/13/63/300101363.db2.gz XRVFWAOSSOQKTB-HOCLYGCPSA-N 1 1 322.361 1.445 20 5 DDBDMO C[N@@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362617466 300106755 /nfs/dbraw/zinc/10/67/55/300106755.db2.gz NQHLUOGPHCCHHR-UHFFFAOYSA-N 1 1 313.304 1.626 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000363884074 300320641 /nfs/dbraw/zinc/32/06/41/300320641.db2.gz FLBPBQYMDUHEMA-UHFFFAOYSA-N 1 1 321.381 1.376 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364451248 300399130 /nfs/dbraw/zinc/39/91/30/300399130.db2.gz XOMNTTZCINUWGM-HUUCEWRRSA-N 1 1 324.381 1.043 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000368579789 301056695 /nfs/dbraw/zinc/05/66/95/301056695.db2.gz UIIKPGDLXUFWMH-QWRGUYRKSA-N 1 1 320.349 1.119 20 5 DDBDMO Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976270 301115537 /nfs/dbraw/zinc/11/55/37/301115537.db2.gz VGECAVZOBQBKCJ-YDHLFZDLSA-N 1 1 303.362 1.989 20 5 DDBDMO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369349459 301169695 /nfs/dbraw/zinc/16/96/95/301169695.db2.gz YQKXCEHRKWQMKS-CQSZACIVSA-N 1 1 320.393 1.413 20 5 DDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024584 301260566 /nfs/dbraw/zinc/26/05/66/301260566.db2.gz ABXQYBUCKAMLMG-ZDUSSCGKSA-N 1 1 319.369 1.164 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370223568 301297818 /nfs/dbraw/zinc/29/78/18/301297818.db2.gz DHGZITCHKUVJBV-GZBFAFLISA-N 1 1 322.361 1.445 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000266633599 303020678 /nfs/dbraw/zinc/02/06/78/303020678.db2.gz XGMFUJBUOAOJRQ-ZDUSSCGKSA-N 1 1 301.350 1.821 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000266633599 303020681 /nfs/dbraw/zinc/02/06/81/303020681.db2.gz XGMFUJBUOAOJRQ-ZDUSSCGKSA-N 1 1 301.350 1.821 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532397200 303284937 /nfs/dbraw/zinc/28/49/37/303284937.db2.gz AZCIKGZNLDMMBM-CYBMUJFWSA-N 1 1 318.377 1.794 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2 ZINC000364640563 307049248 /nfs/dbraw/zinc/04/92/48/307049248.db2.gz XGRKBNZOJMDEKG-UHFFFAOYSA-N 1 1 316.365 1.702 20 5 DDBDMO Cc1ccc(CN2CCC[N@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364973908 307055528 /nfs/dbraw/zinc/05/55/28/307055528.db2.gz NNDRYDBWCUCALX-CQSZACIVSA-N 1 1 307.394 1.792 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000372557203 307170350 /nfs/dbraw/zinc/17/03/50/307170350.db2.gz ZIIBLENNGFWQOE-UHFFFAOYSA-N 1 1 311.338 1.107 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@H]1CCCC2 ZINC000375301358 307221124 /nfs/dbraw/zinc/22/11/24/307221124.db2.gz GDVZMTHEIRPOEZ-IAQYHMDHSA-N 1 1 322.365 1.494 20 5 DDBDMO CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301693 307242594 /nfs/dbraw/zinc/24/25/94/307242594.db2.gz HTFUGVZZEAGRCO-OAGGEKHMSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301693 307242595 /nfs/dbraw/zinc/24/25/95/307242595.db2.gz HTFUGVZZEAGRCO-OAGGEKHMSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301693 307242596 /nfs/dbraw/zinc/24/25/96/307242596.db2.gz HTFUGVZZEAGRCO-OAGGEKHMSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488373 307289187 /nfs/dbraw/zinc/28/91/87/307289187.db2.gz AUPCEZWOSJWTOI-ARLBYUKCSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488373 307289188 /nfs/dbraw/zinc/28/91/88/307289188.db2.gz AUPCEZWOSJWTOI-ARLBYUKCSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488373 307289189 /nfs/dbraw/zinc/28/91/89/307289189.db2.gz AUPCEZWOSJWTOI-ARLBYUKCSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000378496200 307289821 /nfs/dbraw/zinc/28/98/21/307289821.db2.gz MSWJLAFXDJTAKL-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000421026137 307300932 /nfs/dbraw/zinc/30/09/32/307300932.db2.gz UACIOBPBOKHCOS-RISCZKNCSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000421026137 307300933 /nfs/dbraw/zinc/30/09/33/307300933.db2.gz UACIOBPBOKHCOS-RISCZKNCSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H]1NC(=O)N(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000459464523 307307472 /nfs/dbraw/zinc/30/74/72/307307472.db2.gz NJBXMIHBROHPPU-NSHDSACASA-N 1 1 320.349 1.009 20 5 DDBDMO C[C@@H](CCN(C)C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116856 308043898 /nfs/dbraw/zinc/04/38/98/308043898.db2.gz LDTHDKSUWVFLCU-QWHCGFSZSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@@H](CC[NH+](C)C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116856 308043899 /nfs/dbraw/zinc/04/38/99/308043899.db2.gz LDTHDKSUWVFLCU-QWHCGFSZSA-N 1 1 311.382 1.264 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000566444063 308052602 /nfs/dbraw/zinc/05/26/02/308052602.db2.gz JALXRKTWTPFFNZ-SNVBAGLBSA-N 1 1 321.333 1.662 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000566444063 308052603 /nfs/dbraw/zinc/05/26/03/308052603.db2.gz JALXRKTWTPFFNZ-SNVBAGLBSA-N 1 1 321.333 1.662 20 5 DDBDMO O=C(NCCC[NH2+]C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000567922411 308099816 /nfs/dbraw/zinc/09/98/16/308099816.db2.gz CCGSOSMOEDPJCP-UHFFFAOYSA-N 1 1 303.322 1.343 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727963 484215446 /nfs/dbraw/zinc/21/54/46/484215446.db2.gz WZZVIZLGSRHLMJ-WCQYABFASA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000488736784 484217670 /nfs/dbraw/zinc/21/76/70/484217670.db2.gz QYWDMGOFQQFENW-AGIUHOORSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488805473 484219162 /nfs/dbraw/zinc/21/91/62/484219162.db2.gz SUJWOHPLVDOQEA-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000414399106 533955742 /nfs/dbraw/zinc/95/57/42/533955742.db2.gz VBSFKXBNZPZTIG-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000414399106 533955748 /nfs/dbraw/zinc/95/57/48/533955748.db2.gz VBSFKXBNZPZTIG-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330897378 534104718 /nfs/dbraw/zinc/10/47/18/534104718.db2.gz HLLLYKIXJRLJSP-RYUDHWBXSA-N 1 1 307.350 1.573 20 5 DDBDMO COC(=O)c1cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000295969485 534306595 /nfs/dbraw/zinc/30/65/95/534306595.db2.gz KDRXKQKDHHUZJN-YOGCLGLASA-N 1 1 320.349 1.814 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330930553 529091233 /nfs/dbraw/zinc/09/12/33/529091233.db2.gz PRPHRYSDOXCDLX-DGCLKSJQSA-N 1 1 323.397 1.371 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261678 529344235 /nfs/dbraw/zinc/34/42/35/529344235.db2.gz WDGFJIVZOJCWDU-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736847355 598797450 /nfs/dbraw/zinc/79/74/50/598797450.db2.gz GQTAKSLIKUUFFT-JTQLQIEISA-N 1 1 317.353 1.163 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824860826 608197064 /nfs/dbraw/zinc/19/70/64/608197064.db2.gz YAPUCZCGSRQXSM-UWVGGRQHSA-N 1 1 317.353 1.304 20 5 DDBDMO C[C@@H]1[C@H](C)N(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000824860831 608197127 /nfs/dbraw/zinc/19/71/27/608197127.db2.gz YAPUCZCGSRQXSM-ZJUUUORDSA-N 1 1 317.353 1.304 20 5 DDBDMO COCC[NH+](CCOC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121081484 696706069 /nfs/dbraw/zinc/70/60/69/696706069.db2.gz RBXUUYATZKZEMA-UHFFFAOYSA-N 1 1 322.365 1.805 20 5 DDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000077510961 696440633 /nfs/dbraw/zinc/44/06/33/696440633.db2.gz NCFSWAUXUGUTQS-UHFFFAOYSA-N 1 1 307.325 1.902 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC1CCC1)C2 ZINC000982279023 697082319 /nfs/dbraw/zinc/08/23/19/697082319.db2.gz YKCVXAYAYUVIPL-SRABZTEZSA-N 1 1 321.421 1.622 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CC1CCC1)C2 ZINC000982279023 697082321 /nfs/dbraw/zinc/08/23/21/697082321.db2.gz YKCVXAYAYUVIPL-SRABZTEZSA-N 1 1 321.421 1.622 20 5 DDBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CC1CCC1)C2 ZINC000982279023 697082323 /nfs/dbraw/zinc/08/23/23/697082323.db2.gz YKCVXAYAYUVIPL-SRABZTEZSA-N 1 1 321.421 1.622 20 5 DDBDMO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC000983658218 697287156 /nfs/dbraw/zinc/28/71/56/697287156.db2.gz VJQHVQPPZSIVTE-FPQZTECRSA-N 1 1 324.406 1.101 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000773195911 697726473 /nfs/dbraw/zinc/72/64/73/697726473.db2.gz BZXFWLJCBHRVEO-LLVKDONJSA-N 1 1 306.366 1.700 20 5 DDBDMO CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579646 698120462 /nfs/dbraw/zinc/12/04/62/698120462.db2.gz OWAKZGLEJRHOMA-CQSZACIVSA-N 1 1 309.366 1.428 20 5 DDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579646 698120464 /nfs/dbraw/zinc/12/04/64/698120464.db2.gz OWAKZGLEJRHOMA-CQSZACIVSA-N 1 1 309.366 1.428 20 5 DDBDMO CO[C@H]1CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800865471 700250642 /nfs/dbraw/zinc/25/06/42/700250642.db2.gz DFJHMKXZIDMVIT-AWEZNQCLSA-N 1 1 307.350 1.274 20 5 DDBDMO CO[C@H]1CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000800865471 700250644 /nfs/dbraw/zinc/25/06/44/700250644.db2.gz DFJHMKXZIDMVIT-AWEZNQCLSA-N 1 1 307.350 1.274 20 5 DDBDMO CC[C@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782860964 698774089 /nfs/dbraw/zinc/77/40/89/698774089.db2.gz TWSGEGHAGLQZPT-LBPRGKRZSA-N 1 1 321.381 1.644 20 5 DDBDMO C/C(=C/C(=O)N1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784647423 699032539 /nfs/dbraw/zinc/03/25/39/699032539.db2.gz PXNXOOWZHFXMFC-SEYXRHQNSA-N 1 1 319.361 1.135 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788884094 699344763 /nfs/dbraw/zinc/34/47/63/699344763.db2.gz GKLLPUKOZPYGBM-MRVPVSSYSA-N 1 1 305.381 1.029 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788884094 699344766 /nfs/dbraw/zinc/34/47/66/699344766.db2.gz GKLLPUKOZPYGBM-MRVPVSSYSA-N 1 1 305.381 1.029 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334032 699377745 /nfs/dbraw/zinc/37/77/45/699377745.db2.gz FUTRFFVAIWCMTP-CJNGLKHVSA-N 1 1 323.393 1.281 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000791052053 699608923 /nfs/dbraw/zinc/60/89/23/699608923.db2.gz KKBYPSYKQSPQGV-GFCCVEGCSA-N 1 1 301.387 1.842 20 5 DDBDMO COC(=O)[C@H]1CC12CC[NH+](Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000733790835 699617089 /nfs/dbraw/zinc/61/70/89/699617089.db2.gz FJBIOLADWXGHFT-GFCCVEGCSA-N 1 1 322.365 1.641 20 5 DDBDMO C[N@H+](C[C@@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633934 699820046 /nfs/dbraw/zinc/82/00/46/699820046.db2.gz XDTSYDQGGBJXPE-JTQLQIEISA-N 1 1 307.306 1.429 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794633934 699820048 /nfs/dbraw/zinc/82/00/48/699820048.db2.gz XDTSYDQGGBJXPE-JTQLQIEISA-N 1 1 307.306 1.429 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@@H+]1C ZINC000742199011 699866439 /nfs/dbraw/zinc/86/64/39/699866439.db2.gz OUKGRLZEOLHKIL-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000742199011 699866442 /nfs/dbraw/zinc/86/64/42/699866442.db2.gz OUKGRLZEOLHKIL-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845675 701209282 /nfs/dbraw/zinc/20/92/82/701209282.db2.gz MWOLEGWUPHMAAY-UWVGGRQHSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845675 701209283 /nfs/dbraw/zinc/20/92/83/701209283.db2.gz MWOLEGWUPHMAAY-UWVGGRQHSA-N 1 1 322.321 1.668 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770302011 701273994 /nfs/dbraw/zinc/27/39/94/701273994.db2.gz YSTYYGYNCFOBRL-UHFFFAOYSA-N 1 1 319.321 1.445 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCOC1 ZINC000770675887 701289307 /nfs/dbraw/zinc/28/93/07/701289307.db2.gz GJWRUDKAQIQFQL-CYBMUJFWSA-N 1 1 314.363 1.858 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](CC(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808228547 701509590 /nfs/dbraw/zinc/50/95/90/701509590.db2.gz UJQJWKNSMJSNOM-NSHDSACASA-N 1 1 317.349 1.408 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810616324 701801709 /nfs/dbraw/zinc/80/17/09/701801709.db2.gz VESZIRSBWWNOGO-JTQLQIEISA-N 1 1 321.337 1.627 20 5 DDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000840358617 702082714 /nfs/dbraw/zinc/08/27/14/702082714.db2.gz CLUYPZUTCOJTAQ-SNVBAGLBSA-N 1 1 311.313 1.275 20 5 DDBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847175520 703384177 /nfs/dbraw/zinc/38/41/77/703384177.db2.gz COZQWZIHHFRWHH-RWMBFGLXSA-N 1 1 315.414 1.436 20 5 DDBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847175520 703384180 /nfs/dbraw/zinc/38/41/80/703384180.db2.gz COZQWZIHHFRWHH-RWMBFGLXSA-N 1 1 315.414 1.436 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000852432328 704045749 /nfs/dbraw/zinc/04/57/49/704045749.db2.gz MKNMLJLGZXXXBW-LBPRGKRZSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000852432328 704045752 /nfs/dbraw/zinc/04/57/52/704045752.db2.gz MKNMLJLGZXXXBW-LBPRGKRZSA-N 1 1 321.333 1.630 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000852434048 704047667 /nfs/dbraw/zinc/04/76/67/704047667.db2.gz WGMHUDIGWSHXEX-ZDUSSCGKSA-N 1 1 321.333 1.500 20 5 DDBDMO COC[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497812 704250666 /nfs/dbraw/zinc/25/06/66/704250666.db2.gz GQFLASLLXSYOPD-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497812 704250667 /nfs/dbraw/zinc/25/06/67/704250667.db2.gz GQFLASLLXSYOPD-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO Cc1nn(C[N@@H+](C)CC2CN(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853553684 704267327 /nfs/dbraw/zinc/26/73/27/704267327.db2.gz RVEODVHMLVNSRC-UHFFFAOYSA-N 1 1 303.366 1.704 20 5 DDBDMO Cc1nn(C[N@H+](C)CC2CN(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853553684 704267329 /nfs/dbraw/zinc/26/73/29/704267329.db2.gz RVEODVHMLVNSRC-UHFFFAOYSA-N 1 1 303.366 1.704 20 5 DDBDMO Cc1noc(CON=C(N)C[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000853665821 704295835 /nfs/dbraw/zinc/29/58/35/704295835.db2.gz DHSNSWYTJZHRMI-VIFPVBQESA-N 1 1 311.342 1.764 20 5 DDBDMO Cc1noc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000853665821 704295837 /nfs/dbraw/zinc/29/58/37/704295837.db2.gz DHSNSWYTJZHRMI-VIFPVBQESA-N 1 1 311.342 1.764 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000854735266 704445806 /nfs/dbraw/zinc/44/58/06/704445806.db2.gz MJGUTCKTAPAYMQ-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824300614 705421432 /nfs/dbraw/zinc/42/14/32/705421432.db2.gz DGWBFDWTQAFYSY-QWHCGFSZSA-N 1 1 319.361 1.103 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526991 705687863 /nfs/dbraw/zinc/68/78/63/705687863.db2.gz KVCMCOYSMUXBHL-CABCVRRESA-N 1 1 321.377 1.081 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615414 705703277 /nfs/dbraw/zinc/70/32/77/705703277.db2.gz VOVQYDSIGGGLGZ-SMDDNHRTSA-N 1 1 309.366 1.475 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@]1(CO)CCOC1 ZINC000862427152 705715755 /nfs/dbraw/zinc/71/57/55/705715755.db2.gz UZLWNAXXOJFZCX-ZDUSSCGKSA-N 1 1 300.742 1.831 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827338034 705979518 /nfs/dbraw/zinc/97/95/18/705979518.db2.gz NADCRRXYAWFPCD-JOYOIKCWSA-N 1 1 322.340 1.482 20 5 DDBDMO CCOC(=O)[C@@H](C)C1C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993205 707272190 /nfs/dbraw/zinc/27/21/90/707272190.db2.gz MQTQIZYNXVNXQL-NHYWBVRUSA-N 1 1 322.361 1.759 20 5 DDBDMO CON(C)C(=O)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865975572 706581696 /nfs/dbraw/zinc/58/16/96/706581696.db2.gz KJICUQPPGMIFKP-SECBINFHSA-N 1 1 304.306 1.385 20 5 DDBDMO C[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880001600 706850188 /nfs/dbraw/zinc/85/01/88/706850188.db2.gz RCJQICRFJDBYKI-WDEREUQCSA-N 1 1 322.287 1.427 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137800 706887835 /nfs/dbraw/zinc/88/78/35/706887835.db2.gz KVMDWBWLQJUECK-OAGGEKHMSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137800 706887840 /nfs/dbraw/zinc/88/78/40/706887840.db2.gz KVMDWBWLQJUECK-OAGGEKHMSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880137800 706887842 /nfs/dbraw/zinc/88/78/42/706887842.db2.gz KVMDWBWLQJUECK-OAGGEKHMSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000872778802 707596817 /nfs/dbraw/zinc/59/68/17/707596817.db2.gz BWLWHGHHTQWBSK-NWDGAFQWSA-N 1 1 304.350 1.367 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781507 707597410 /nfs/dbraw/zinc/59/74/10/707597410.db2.gz UQKWXPOCQJOZJA-WDEREUQCSA-N 1 1 302.338 1.310 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000882485911 707657185 /nfs/dbraw/zinc/65/71/85/707657185.db2.gz MHJSAEHKBLOMNM-SNVBAGLBSA-N 1 1 311.313 1.323 20 5 DDBDMO Cc1nc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221121 708258797 /nfs/dbraw/zinc/25/87/97/708258797.db2.gz HLOXKMMTJRIJSF-UONOGXRCSA-N 1 1 306.366 1.334 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886589524 708783554 /nfs/dbraw/zinc/78/35/54/708783554.db2.gz YDTJMYKULRGNMB-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886589524 708783558 /nfs/dbraw/zinc/78/35/58/708783558.db2.gz YDTJMYKULRGNMB-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887936700 709172121 /nfs/dbraw/zinc/17/21/21/709172121.db2.gz TWHBOSVHQYFGFA-WBMJQRKESA-N 1 1 319.361 1.384 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000887939151 709173407 /nfs/dbraw/zinc/17/34/07/709173407.db2.gz QRCLUURYFJAQMU-CJNGLKHVSA-N 1 1 303.362 1.927 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912879566 713113261 /nfs/dbraw/zinc/11/32/61/713113261.db2.gz HLHMRNIRLWDOFW-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000928431794 713192940 /nfs/dbraw/zinc/19/29/40/713192940.db2.gz HAPXCSUVRZWZBK-GZMMTYOYSA-N 1 1 311.313 1.565 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000893392681 710633750 /nfs/dbraw/zinc/63/37/50/710633750.db2.gz HTXZALWVBPFFOU-GFCCVEGCSA-N 1 1 308.334 1.862 20 5 DDBDMO O=c1[nH]ccc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895570435 711545550 /nfs/dbraw/zinc/54/55/50/711545550.db2.gz SYKVXOBFCDZVIF-MWLCHTKSSA-N 1 1 310.379 1.687 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895709032 711585009 /nfs/dbraw/zinc/58/50/09/711585009.db2.gz XWXIMQXMKJXXKP-ZDTYVGOBSA-N 1 1 306.318 1.218 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895709032 711585011 /nfs/dbraw/zinc/58/50/11/711585011.db2.gz XWXIMQXMKJXXKP-ZDTYVGOBSA-N 1 1 306.318 1.218 20 5 DDBDMO C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000895737460 711590867 /nfs/dbraw/zinc/59/08/67/711590867.db2.gz VRHXZQUCZAELLD-UWVGGRQHSA-N 1 1 319.365 1.290 20 5 DDBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738496 711591176 /nfs/dbraw/zinc/59/11/76/711591176.db2.gz WTPHQFJXUIMQHK-PWSUYJOCSA-N 1 1 307.350 1.815 20 5 DDBDMO C[N@@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000917462759 713499181 /nfs/dbraw/zinc/49/91/81/713499181.db2.gz IVLDSOXRTIPJIR-HNNXBMFYSA-N 1 1 301.350 1.738 20 5 DDBDMO C[N@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000917462759 713499183 /nfs/dbraw/zinc/49/91/83/713499183.db2.gz IVLDSOXRTIPJIR-HNNXBMFYSA-N 1 1 301.350 1.738 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929245956 713575355 /nfs/dbraw/zinc/57/53/55/713575355.db2.gz BVCHSBRIYLUHKN-AWEZNQCLSA-N 1 1 321.377 1.522 20 5 DDBDMO O=[N+]([O-])CCN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000930849528 713937065 /nfs/dbraw/zinc/93/70/65/713937065.db2.gz NISJLVXVZGMSAN-HZPDHXFCSA-N 1 1 305.378 1.238 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000932647281 714374613 /nfs/dbraw/zinc/37/46/13/714374613.db2.gz NWCGGTHXNAOPSQ-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000932647281 714374614 /nfs/dbraw/zinc/37/46/14/714374614.db2.gz NWCGGTHXNAOPSQ-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO CCO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932972253 714446831 /nfs/dbraw/zinc/44/68/31/714446831.db2.gz QOYAZZRBOKCSOD-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CCO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932972253 714446833 /nfs/dbraw/zinc/44/68/33/714446833.db2.gz QOYAZZRBOKCSOD-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933209228 714537685 /nfs/dbraw/zinc/53/76/85/714537685.db2.gz CYYGTESYEAJATG-AWEZNQCLSA-N 1 1 307.350 1.257 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933209228 714537686 /nfs/dbraw/zinc/53/76/86/714537686.db2.gz CYYGTESYEAJATG-AWEZNQCLSA-N 1 1 307.350 1.257 20 5 DDBDMO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000933281618 714553679 /nfs/dbraw/zinc/55/36/79/714553679.db2.gz HUHKYWINLXBAIS-CQSZACIVSA-N 1 1 321.377 1.998 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933908717 714699517 /nfs/dbraw/zinc/69/95/17/714699517.db2.gz KVXGTDVRNWGCCG-ZDUSSCGKSA-N 1 1 308.334 1.811 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933908717 714699518 /nfs/dbraw/zinc/69/95/18/714699518.db2.gz KVXGTDVRNWGCCG-ZDUSSCGKSA-N 1 1 308.334 1.811 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165039391 721907090 /nfs/dbraw/zinc/90/70/90/721907090.db2.gz SKLLZQKMNSWGCW-LBPRGKRZSA-N 1 1 322.365 1.299 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001121199294 782406206 /nfs/dbraw/zinc/40/62/06/782406206.db2.gz NWIVISKYVGODAB-FZZIBODNSA-N 1 1 307.325 1.804 20 5 DDBDMO CC(C)(C)c1cnc(NC(=N)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167878439 739167325 /nfs/dbraw/zinc/16/73/25/739167325.db2.gz SGXQMOAPWMRCSV-UHFFFAOYSA-N 1 1 308.386 1.962 20 5 DDBDMO O=C(NCC[NH2+]Cc1sccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126932255 742776481 /nfs/dbraw/zinc/77/64/81/742776481.db2.gz ONYMGCCXWAUDFM-VXNVDRBHSA-N 1 1 303.771 1.273 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)cn21 ZINC001168371810 743586098 /nfs/dbraw/zinc/58/60/98/743586098.db2.gz FPKAIHGVPKEIFM-LLVKDONJSA-N 1 1 317.349 1.518 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCC[N@H+](C4COC4)C3)cn21 ZINC001168371810 743586103 /nfs/dbraw/zinc/58/61/03/743586103.db2.gz FPKAIHGVPKEIFM-LLVKDONJSA-N 1 1 317.349 1.518 20 5 DDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007210 762175025 /nfs/dbraw/zinc/17/50/25/762175025.db2.gz LWUCKTKQSZHBRU-BARDWOONSA-N 1 1 317.389 1.713 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169014420 762178996 /nfs/dbraw/zinc/17/89/96/762178996.db2.gz ZLZOUOGVAZSCLT-OUAUKWLOSA-N 1 1 312.288 1.057 20 5 DDBDMO O=C1[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025218 762203557 /nfs/dbraw/zinc/20/35/57/762203557.db2.gz YDZUWGPWPFHOBM-AJNGGQMLSA-N 1 1 307.394 1.232 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055293 762210102 /nfs/dbraw/zinc/21/01/02/762210102.db2.gz PBRGGDSERKFASP-LJISPDSOSA-N 1 1 315.389 1.176 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057441 762210835 /nfs/dbraw/zinc/21/08/35/762210835.db2.gz VIOXNHDUPCBKPX-YUELXQCFSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138907 760612816 /nfs/dbraw/zinc/61/28/16/760612816.db2.gz HKLQBTXXVQEVDK-AAVRWANBSA-N 1 1 307.325 1.228 20 5 DDBDMO CC[N@@H+](CCC(N)=O)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345042 766277355 /nfs/dbraw/zinc/27/73/55/766277355.db2.gz GWJFHTYXWJWLIF-NSHDSACASA-N 1 1 309.366 1.732 20 5 DDBDMO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507450 773156251 /nfs/dbraw/zinc/15/62/51/773156251.db2.gz ONPBBPSBHYQOPQ-DPOFCPOHSA-N 1 1 321.421 1.932 20 5 DDBDMO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507450 773156254 /nfs/dbraw/zinc/15/62/54/773156254.db2.gz ONPBBPSBHYQOPQ-DPOFCPOHSA-N 1 1 321.421 1.932 20 5 DDBDMO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507450 773156256 /nfs/dbraw/zinc/15/62/56/773156256.db2.gz ONPBBPSBHYQOPQ-DPOFCPOHSA-N 1 1 321.421 1.932 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H](CO)[C@H](O)C1)CC2 ZINC001172902305 776915807 /nfs/dbraw/zinc/91/58/07/776915807.db2.gz AKFINVJCANPYTF-BFYDXBDKSA-N 1 1 320.389 1.517 20 5 DDBDMO CNC(=O)C[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183509 777035374 /nfs/dbraw/zinc/03/53/74/777035374.db2.gz ZFOPACXRZOGJQF-VIFPVBQESA-N 1 1 313.329 1.351 20 5 DDBDMO CNC(=O)C[N@@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183509 777035380 /nfs/dbraw/zinc/03/53/80/777035380.db2.gz ZFOPACXRZOGJQF-VIFPVBQESA-N 1 1 313.329 1.351 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778477 778235439 /nfs/dbraw/zinc/23/54/39/778235439.db2.gz VNKUXGPAFFOHOV-QEJZJMRPSA-N 1 1 309.341 1.356 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778477 778235444 /nfs/dbraw/zinc/23/54/44/778235444.db2.gz VNKUXGPAFFOHOV-QEJZJMRPSA-N 1 1 309.341 1.356 20 5 DDBDMO Cc1oncc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178464480 779061022 /nfs/dbraw/zinc/06/10/22/779061022.db2.gz TXKGSIBWUBIIRX-ZIAGYGMSSA-N 1 1 324.381 1.414 20 5 DDBDMO CCc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001179352816 779341651 /nfs/dbraw/zinc/34/16/51/779341651.db2.gz IHVJCYHJYDWMIN-MRXNPFEDSA-N 1 1 316.361 1.945 20 5 DDBDMO CSc1ccc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001116194658 780483514 /nfs/dbraw/zinc/48/35/14/780483514.db2.gz TYRKEELKTONVTQ-UHFFFAOYSA-N 1 1 307.375 1.918 20 5 DDBDMO C[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001116361044 780500343 /nfs/dbraw/zinc/50/03/43/780500343.db2.gz FCCJVVVFSCJCGP-GDBMZVCRSA-N 1 1 324.377 1.429 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491572 780514595 /nfs/dbraw/zinc/51/45/95/780514595.db2.gz UITGZBNXQJEUAI-SMDDNHRTSA-N 1 1 307.350 1.216 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@H]2C1 ZINC001118916258 781271455 /nfs/dbraw/zinc/27/14/55/781271455.db2.gz XORIJYKWOCSXEM-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC001118991997 781292594 /nfs/dbraw/zinc/29/25/94/781292594.db2.gz VSWXBYUIONZJQD-UHFFFAOYSA-N 1 1 305.382 1.206 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001119630961 781543330 /nfs/dbraw/zinc/54/33/30/781543330.db2.gz LMLDAPXQSBCHST-ZDUSSCGKSA-N 1 1 306.366 1.833 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001119977757 781703519 /nfs/dbraw/zinc/70/35/19/781703519.db2.gz SPEDRLQKIIRGGA-ZDUSSCGKSA-N 1 1 306.366 1.385 20 5 DDBDMO CN(C)c1cc(F)c(-c2nnc(C[NH+](C)C)o2)cc1[N+](=O)[O-] ZINC001329091826 863469675 /nfs/dbraw/zinc/46/96/75/863469675.db2.gz ATFXPUKGDLJYMD-UHFFFAOYSA-N 1 1 309.301 1.912 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157263713 863690425 /nfs/dbraw/zinc/69/04/25/863690425.db2.gz BLGDZVAIBDNVEI-WDEREUQCSA-N 1 1 307.354 1.232 20 5 DDBDMO CN1C[C@@H](CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1=O ZINC001157909927 864250499 /nfs/dbraw/zinc/25/04/99/864250499.db2.gz TWVWKLLCJUFLFO-SGUJLRQBSA-N 1 1 319.365 1.412 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](C2CC2)C1 ZINC001330658557 864516114 /nfs/dbraw/zinc/51/61/14/864516114.db2.gz DKZOSLDVXNCRPZ-NSHDSACASA-N 1 1 318.377 1.733 20 5 DDBDMO CCOC(=O)C1=C(Nc2ncc(F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453454 865310803 /nfs/dbraw/zinc/31/08/03/865310803.db2.gz ROKVZHQBTJXYFK-UHFFFAOYSA-N 1 1 310.285 1.351 20 5 DDBDMO Cc1nn(CN2CC[N@H+](C)C(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333313508 866623134 /nfs/dbraw/zinc/62/31/34/866623134.db2.gz OEKCXIDGCYDGAM-UHFFFAOYSA-N 1 1 318.381 1.631 20 5 DDBDMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnco1 ZINC001321177423 867377327 /nfs/dbraw/zinc/37/73/27/867377327.db2.gz CUOPRXVIRLKSSR-UPHRSURJSA-N 1 1 322.346 1.720 20 5 DDBDMO COc1cc(C(=O)NCC[NH+]2CC=CC2)c([N+](=O)[O-])cc1F ZINC001324701043 867462831 /nfs/dbraw/zinc/46/28/31/867462831.db2.gz BFLRFCJBJJLGRS-UHFFFAOYSA-N 1 1 309.297 1.344 20 5 DDBDMO CC(C)n1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC001336699803 869098832 /nfs/dbraw/zinc/09/88/32/869098832.db2.gz NHOOBGIMGHECBG-CQSZACIVSA-N 1 1 305.338 1.590 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC001338161460 869841665 /nfs/dbraw/zinc/84/16/65/869841665.db2.gz CNOLYLVQGTYZJV-SRVKXCTJSA-N 1 1 301.350 1.995 20 5 DDBDMO C[NH+](C)C1(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001338475542 870000572 /nfs/dbraw/zinc/00/05/72/870000572.db2.gz SRDLXLVEZSMCDM-OAHLLOKOSA-N 1 1 323.393 1.329 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001339923683 870787607 /nfs/dbraw/zinc/78/76/07/870787607.db2.gz WHIIBYKAXPFHKS-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](CC)CC2(C)C)c1[N+](=O)[O-] ZINC001304042443 871181270 /nfs/dbraw/zinc/18/12/70/871181270.db2.gz JHGTVMOMFHWSQH-LLVKDONJSA-N 1 1 323.397 1.731 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001307157858 871403266 /nfs/dbraw/zinc/40/32/66/871403266.db2.gz ZZPSEZOONANOML-MNOVXSKESA-N 1 1 320.349 1.164 20 5 DDBDMO COc1c(O)ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC001342898356 872427600 /nfs/dbraw/zinc/42/76/00/872427600.db2.gz QVUUNJXGKDNGHX-NSHDSACASA-N 1 1 321.377 1.883 20 5 DDBDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733070 882618788 /nfs/dbraw/zinc/61/87/88/882618788.db2.gz GPOJQFLFGLOMGC-DGCLKSJQSA-N 1 1 315.333 1.994 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001319297820 872549140 /nfs/dbraw/zinc/54/91/40/872549140.db2.gz DQSSYPVMVROHCN-NSHDSACASA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001319297820 872549151 /nfs/dbraw/zinc/54/91/51/872549151.db2.gz DQSSYPVMVROHCN-NSHDSACASA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001319297820 872549156 /nfs/dbraw/zinc/54/91/56/872549156.db2.gz DQSSYPVMVROHCN-NSHDSACASA-N 1 1 321.381 1.752 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001227185374 882898655 /nfs/dbraw/zinc/89/86/55/882898655.db2.gz QFCZEDBYTUAWBQ-SUHUHFCYSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001227185374 882898667 /nfs/dbraw/zinc/89/86/67/882898667.db2.gz QFCZEDBYTUAWBQ-SUHUHFCYSA-N 1 1 306.318 1.786 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001215998117 876839688 /nfs/dbraw/zinc/83/96/88/876839688.db2.gz UVDJMWPEBSDAIW-NSHDSACASA-N 1 1 307.354 1.265 20 5 DDBDMO C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)c1ccccc1[N+](=O)[O-] ZINC001353777037 877555555 /nfs/dbraw/zinc/55/55/55/877555555.db2.gz OHXFQRYOGYRYTQ-LBPRGKRZSA-N 1 1 321.377 1.476 20 5 DDBDMO CCCC(=O)NCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001222232087 880347895 /nfs/dbraw/zinc/34/78/95/880347895.db2.gz CJZADGPZSRYDBV-UHFFFAOYSA-N 1 1 323.397 1.457 20 5 DDBDMO CC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114968 880836127 /nfs/dbraw/zinc/83/61/27/880836127.db2.gz ZAJOYXORAKBQMW-LRPXVYOUSA-N 1 1 309.410 1.836 20 5 DDBDMO OC[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218316 886166556 /nfs/dbraw/zinc/16/65/56/886166556.db2.gz FUPHJKIPJQJFDN-NVXWUHKLSA-N 1 1 323.396 1.958 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001291813943 913581924 /nfs/dbraw/zinc/58/19/24/913581924.db2.gz XHKACDQGCZOBCN-SNVBAGLBSA-N 1 1 320.353 1.057 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001254474694 896456895 /nfs/dbraw/zinc/45/68/95/896456895.db2.gz SVXRQHSQOFNNGX-LRDDRELGSA-N 1 1 305.378 1.876 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCO[C@@]3(CCOC3)C1)C2 ZINC001254593216 896521843 /nfs/dbraw/zinc/52/18/43/896521843.db2.gz KAUNHDMLNPFOCF-CVEARBPZSA-N 1 1 304.346 1.553 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](n3ccnn3)C1)C2 ZINC001254610585 896530286 /nfs/dbraw/zinc/53/02/86/896530286.db2.gz LHJAHDMAQCYOQT-HZPDHXFCSA-N 1 1 313.361 1.991 20 5 DDBDMO O=C(NCC[NH+]1CC=CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001262155873 899991246 /nfs/dbraw/zinc/99/12/46/899991246.db2.gz XWLYZJIMNISJLT-UHFFFAOYSA-N 1 1 313.716 1.989 20 5 DDBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CC[N+](=O)[O-])C[C@H]21 ZINC001262256057 900055804 /nfs/dbraw/zinc/05/58/04/900055804.db2.gz DYEHYZDGVASTLZ-YNEHKIRRSA-N 1 1 313.398 1.888 20 5 DDBDMO COCC(=O)N(C)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001280776391 904017981 /nfs/dbraw/zinc/01/79/81/904017981.db2.gz IVBWFTKYIKNVOH-UHFFFAOYSA-N 1 1 309.366 1.522 20 5 DDBDMO Cc1conc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282295227 905666926 /nfs/dbraw/zinc/66/69/26/905666926.db2.gz SSGKVJKUZOITMG-DGCLKSJQSA-N 1 1 324.381 1.222 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000451306466 231063116 /nfs/dbraw/zinc/06/31/16/231063116.db2.gz YHKCGJXGGUVPCI-DJIMGWMZSA-N 1 1 320.389 1.999 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451920287 231232365 /nfs/dbraw/zinc/23/23/65/231232365.db2.gz ADTAKRRHYNJMLT-HNNXBMFYSA-N 1 1 310.350 1.304 20 5 DDBDMO CN1C(=O)CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000090030071 185278921 /nfs/dbraw/zinc/27/89/21/185278921.db2.gz IQBWZERFEADYKL-NSHDSACASA-N 1 1 311.725 1.485 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000458204267 530060423 /nfs/dbraw/zinc/06/04/23/530060423.db2.gz YUJPZSKCYIOVJJ-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000458222727 530061021 /nfs/dbraw/zinc/06/10/21/530061021.db2.gz QMTTYOJKTGTPRR-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[NH+](C)CC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000330786026 232066734 /nfs/dbraw/zinc/06/67/34/232066734.db2.gz UXNZABRXPWGMON-UHFFFAOYSA-N 1 1 307.350 1.714 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000330889571 232139889 /nfs/dbraw/zinc/13/98/89/232139889.db2.gz BMNRAYCQQARCQI-WDEREUQCSA-N 1 1 309.370 1.125 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000279755236 215119216 /nfs/dbraw/zinc/11/92/16/215119216.db2.gz LUQYLYLCXHMVLE-BXUZGUMPSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785214 215143773 /nfs/dbraw/zinc/14/37/73/215143773.db2.gz UWXOSIBUIBNCBP-CZUORRHYSA-N 1 1 323.393 1.281 20 5 DDBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000279908368 215227444 /nfs/dbraw/zinc/22/74/44/215227444.db2.gz FHLUJTAUVUQRCQ-UHFFFAOYSA-N 1 1 320.305 1.495 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000279908368 215227448 /nfs/dbraw/zinc/22/74/48/215227448.db2.gz FHLUJTAUVUQRCQ-UHFFFAOYSA-N 1 1 320.305 1.495 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000617470536 363123216 /nfs/dbraw/zinc/12/32/16/363123216.db2.gz GXUJLGDTBCCVNZ-UHFFFAOYSA-N 1 1 302.338 1.804 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000054925853 352710278 /nfs/dbraw/zinc/71/02/78/352710278.db2.gz LHQRTSYUYYVJIJ-QWRGUYRKSA-N 1 1 324.381 1.541 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCCn2cc[nH+]c2C)c1 ZINC000062271202 352897231 /nfs/dbraw/zinc/89/72/31/352897231.db2.gz SFKMXLPBEXIYHA-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182085304 199384709 /nfs/dbraw/zinc/38/47/09/199384709.db2.gz WUNAAGJWRUSRMS-CYBMUJFWSA-N 1 1 321.377 1.664 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n1C ZINC000074094846 353290839 /nfs/dbraw/zinc/29/08/39/353290839.db2.gz FYWNIVGEYJEKLP-UHFFFAOYSA-N 1 1 317.349 1.253 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174296088 198315988 /nfs/dbraw/zinc/31/59/88/198315988.db2.gz WJEZXFKEUYGRMU-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174296088 198315990 /nfs/dbraw/zinc/31/59/90/198315990.db2.gz WJEZXFKEUYGRMU-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174299871 198316513 /nfs/dbraw/zinc/31/65/13/198316513.db2.gz LLXHPKQFPPDTPU-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000174299871 198316515 /nfs/dbraw/zinc/31/65/15/198316515.db2.gz LLXHPKQFPPDTPU-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632332 353526002 /nfs/dbraw/zinc/52/60/02/353526002.db2.gz NUZWKKBGCFDBRE-CQSZACIVSA-N 1 1 321.425 1.984 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)C1CC1 ZINC000079769570 353576697 /nfs/dbraw/zinc/57/66/97/353576697.db2.gz NYPVLZVAOOTCSA-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)C1CC1 ZINC000079769570 353576698 /nfs/dbraw/zinc/57/66/98/353576698.db2.gz NYPVLZVAOOTCSA-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO CCc1nn(C)c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000091742980 353835235 /nfs/dbraw/zinc/83/52/35/353835235.db2.gz ITWBEZSZLFXIID-YPMHNXCESA-N 1 1 307.398 1.811 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000141331809 354139479 /nfs/dbraw/zinc/13/94/79/354139479.db2.gz XGBODVFMKSORMP-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142016478 354143000 /nfs/dbraw/zinc/14/30/00/354143000.db2.gz JSSYBNYWENUBOJ-GFCCVEGCSA-N 1 1 304.350 1.609 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000276850932 354413671 /nfs/dbraw/zinc/41/36/71/354413671.db2.gz IWDFCUYDRCCQGQ-GASCZTMLSA-N 1 1 310.350 1.709 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305729958 354471279 /nfs/dbraw/zinc/47/12/79/354471279.db2.gz KFAPPIXVFAAEFK-IINYFYTJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)C1 ZINC000346216131 283032528 /nfs/dbraw/zinc/03/25/28/283032528.db2.gz IAARIYJUMISKAV-MJVIPROJSA-N 1 1 306.366 1.725 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861855 354944336 /nfs/dbraw/zinc/94/43/36/354944336.db2.gz VSYGJQZVQCHZQS-NEPJUHHUSA-N 1 1 323.324 1.015 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590053373 355044898 /nfs/dbraw/zinc/04/48/98/355044898.db2.gz UCVORINUXYLTOK-ITGUQSILSA-N 1 1 306.318 1.052 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000590053373 355044900 /nfs/dbraw/zinc/04/49/00/355044900.db2.gz UCVORINUXYLTOK-ITGUQSILSA-N 1 1 306.318 1.052 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402431 355085413 /nfs/dbraw/zinc/08/54/13/355085413.db2.gz UDGVNVRIDJSCJA-GJZGRUSLSA-N 1 1 319.361 1.530 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000590446399 355099681 /nfs/dbraw/zinc/09/96/81/355099681.db2.gz TVSMNOSSPTXYPE-ZANVPECISA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000590446399 355099684 /nfs/dbraw/zinc/09/96/84/355099684.db2.gz TVSMNOSSPTXYPE-ZANVPECISA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000590446399 355099686 /nfs/dbraw/zinc/09/96/86/355099686.db2.gz TVSMNOSSPTXYPE-ZANVPECISA-N 1 1 315.333 1.247 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000590452372 355100764 /nfs/dbraw/zinc/10/07/64/355100764.db2.gz BNIRHWZXANYHLC-JTQLQIEISA-N 1 1 307.354 1.264 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594081515 356107828 /nfs/dbraw/zinc/10/78/28/356107828.db2.gz OFPMLORGBRPJLP-AAEUAGOBSA-N 1 1 319.365 1.550 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198078 356136675 /nfs/dbraw/zinc/13/66/75/356136675.db2.gz CXFPOGWXZNSHNF-KBPBESRZSA-N 1 1 321.381 1.315 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594200419 356137975 /nfs/dbraw/zinc/13/79/75/356137975.db2.gz LVXPZTJKPOFQEM-RYUDHWBXSA-N 1 1 321.381 1.383 20 5 DDBDMO CCn1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594716286 356294586 /nfs/dbraw/zinc/29/45/86/356294586.db2.gz OFXATYKJUBVCLM-UHFFFAOYSA-N 1 1 318.337 1.325 20 5 DDBDMO CCC[N@H+]1CC[C@H](NCc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000594992768 356369814 /nfs/dbraw/zinc/36/98/14/356369814.db2.gz XHGCQIRFAUDSJY-LBPRGKRZSA-N 1 1 309.366 1.883 20 5 DDBDMO CCCN1CC[C@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000594992768 356369819 /nfs/dbraw/zinc/36/98/19/356369819.db2.gz XHGCQIRFAUDSJY-LBPRGKRZSA-N 1 1 309.366 1.883 20 5 DDBDMO Cc1noc(CN2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000595330416 356451006 /nfs/dbraw/zinc/45/10/06/356451006.db2.gz AXBQPHLLDSZGSW-UHFFFAOYSA-N 1 1 312.370 1.434 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595493930 356516750 /nfs/dbraw/zinc/51/67/50/356516750.db2.gz XEORYTOFGUISES-PWSUYJOCSA-N 1 1 310.354 1.186 20 5 DDBDMO Cc1noc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595493930 356516753 /nfs/dbraw/zinc/51/67/53/356516753.db2.gz XEORYTOFGUISES-PWSUYJOCSA-N 1 1 310.354 1.186 20 5 DDBDMO C[C@]1(C2CC2)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595624735 356581973 /nfs/dbraw/zinc/58/19/73/356581973.db2.gz FKGBOBYORKWEQO-OAHLLOKOSA-N 1 1 307.350 1.257 20 5 DDBDMO C[C@]1(C2CC2)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595624735 356581977 /nfs/dbraw/zinc/58/19/77/356581977.db2.gz FKGBOBYORKWEQO-OAHLLOKOSA-N 1 1 307.350 1.257 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000595761070 356641856 /nfs/dbraw/zinc/64/18/56/356641856.db2.gz WNUKVDSDRIPXAG-BBRMVZONSA-N 1 1 320.345 1.850 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000595800933 356655773 /nfs/dbraw/zinc/65/57/73/356655773.db2.gz UHAOCJGEKYBMMB-UHFFFAOYSA-N 1 1 310.350 1.040 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000595834374 356670442 /nfs/dbraw/zinc/67/04/42/356670442.db2.gz OVDOWGBWFJKDPM-UHFFFAOYSA-N 1 1 305.334 1.564 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(COC2)C1 ZINC000595834374 356670443 /nfs/dbraw/zinc/67/04/43/356670443.db2.gz OVDOWGBWFJKDPM-UHFFFAOYSA-N 1 1 305.334 1.564 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595832478 356668750 /nfs/dbraw/zinc/66/87/50/356668750.db2.gz DLACPADFDDMYJY-UHFFFAOYSA-N 1 1 319.361 1.954 20 5 DDBDMO C[N@H+](CC1=CCSC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595888446 356692384 /nfs/dbraw/zinc/69/23/84/356692384.db2.gz MCQQTXVCSRJBFU-ZDUSSCGKSA-N 1 1 324.402 1.940 20 5 DDBDMO C[N@H+](CC1=CCSC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595895043 356695204 /nfs/dbraw/zinc/69/52/04/356695204.db2.gz BQKPATCKCHCKRL-CQSZACIVSA-N 1 1 324.402 1.940 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(F)c1 ZINC000595864799 356683286 /nfs/dbraw/zinc/68/32/86/356683286.db2.gz CTHSHAMWLGUZEJ-HNNXBMFYSA-N 1 1 323.368 1.765 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000237101040 202154493 /nfs/dbraw/zinc/15/44/93/202154493.db2.gz YIDMJTMHCCAIFC-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO CCOc1cc(C[N@@H+](C)CC2(O)CCOCC2)ccc1[N+](=O)[O-] ZINC000276917586 213174615 /nfs/dbraw/zinc/17/46/15/213174615.db2.gz ONOPQNNQVYSDNF-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(C)CO ZINC000597237039 357105519 /nfs/dbraw/zinc/10/55/19/357105519.db2.gz VZCDNDMKWCXXHT-MEDUHNTESA-N 1 1 322.361 1.816 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650807 357670327 /nfs/dbraw/zinc/67/03/27/357670327.db2.gz OXQNQBOIWBPGGZ-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598650807 357670328 /nfs/dbraw/zinc/67/03/28/357670328.db2.gz OXQNQBOIWBPGGZ-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598716207 357701698 /nfs/dbraw/zinc/70/16/98/357701698.db2.gz AIFMNIWVMXDIRD-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1C[C@@H](O)C1 ZINC000599670515 358018479 /nfs/dbraw/zinc/01/84/79/358018479.db2.gz GLHGDQILAQLDNG-GSJFWJNXSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1C[C@@H](O)C1 ZINC000599670515 358018483 /nfs/dbraw/zinc/01/84/83/358018483.db2.gz GLHGDQILAQLDNG-GSJFWJNXSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600068512 358113877 /nfs/dbraw/zinc/11/38/77/358113877.db2.gz FVRCCFLGCICGNP-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600534368 358250272 /nfs/dbraw/zinc/25/02/72/358250272.db2.gz VIEDSHLOXWFURH-GFCCVEGCSA-N 1 1 319.317 1.137 20 5 DDBDMO C[C@@H]1[C@H](C)N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1C ZINC000601136473 358416937 /nfs/dbraw/zinc/41/69/37/358416937.db2.gz FLTNWQYPPPAFOG-SFYZADRCSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1[C@H](C)N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601136473 358416940 /nfs/dbraw/zinc/41/69/40/358416940.db2.gz FLTNWQYPPPAFOG-SFYZADRCSA-N 1 1 321.303 1.876 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](O)[C@H](CO)C3)c2c1 ZINC000601175512 358433771 /nfs/dbraw/zinc/43/37/71/358433771.db2.gz ICHDYARWBKHATG-BONVTDFDSA-N 1 1 303.318 1.323 20 5 DDBDMO O=c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c[nH]1 ZINC000602439636 358977106 /nfs/dbraw/zinc/97/71/06/358977106.db2.gz OUHNJHNMGFROOA-UHFFFAOYSA-N 1 1 315.333 1.413 20 5 DDBDMO Cn1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602780442 359186001 /nfs/dbraw/zinc/18/60/01/359186001.db2.gz UQWWQJYEQXSABV-HNNXBMFYSA-N 1 1 316.361 1.810 20 5 DDBDMO Cn1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602780442 359186004 /nfs/dbraw/zinc/18/60/04/359186004.db2.gz UQWWQJYEQXSABV-HNNXBMFYSA-N 1 1 316.361 1.810 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000602780652 359186547 /nfs/dbraw/zinc/18/65/47/359186547.db2.gz BHBWLTQHYLKEFO-CYBMUJFWSA-N 1 1 321.381 1.187 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000602782545 359187215 /nfs/dbraw/zinc/18/72/15/359187215.db2.gz CSJMQSHSYFHWGH-ZIAGYGMSSA-N 1 1 307.398 1.516 20 5 DDBDMO C[C@@H](C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602687980 359126084 /nfs/dbraw/zinc/12/60/84/359126084.db2.gz SXULIVPRXYKUJM-JTQLQIEISA-N 1 1 312.370 1.738 20 5 DDBDMO C[C@@H](C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602687980 359126085 /nfs/dbraw/zinc/12/60/85/359126085.db2.gz SXULIVPRXYKUJM-JTQLQIEISA-N 1 1 312.370 1.738 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000602795885 359197447 /nfs/dbraw/zinc/19/74/47/359197447.db2.gz BYAGAKDJUMSECD-QWHCGFSZSA-N 1 1 321.381 1.090 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000602819416 359214146 /nfs/dbraw/zinc/21/41/46/359214146.db2.gz BGPUSIKALOJBCS-HUBLWGQQSA-N 1 1 324.381 1.368 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000602823055 359217480 /nfs/dbraw/zinc/21/74/80/359217480.db2.gz VQPNNXBFFDUINY-LBPRGKRZSA-N 1 1 324.381 1.370 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602825506 359219573 /nfs/dbraw/zinc/21/95/73/359219573.db2.gz CFQVTGNSUBDLGZ-CYBMUJFWSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3C[C@@]3(O)C2)cccc1[N+](=O)[O-] ZINC000603092733 359397604 /nfs/dbraw/zinc/39/76/04/359397604.db2.gz YYXJFDPNFUAGRE-IAQYHMDHSA-N 1 1 305.334 1.298 20 5 DDBDMO CN(C(=O)C[NH+]1CCC(C)(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000186900286 200028485 /nfs/dbraw/zinc/02/84/85/200028485.db2.gz MXQWXGZXKWVFIT-UHFFFAOYSA-N 1 1 321.377 1.652 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000603396384 359613960 /nfs/dbraw/zinc/61/39/60/359613960.db2.gz ICBVGDJBWUUVAI-MNOVXSKESA-N 1 1 309.370 1.240 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1[N+](=O)[O-] ZINC000281150305 216114038 /nfs/dbraw/zinc/11/40/38/216114038.db2.gz FKGCOCWJGUAEDM-OLZOCXBDSA-N 1 1 305.334 1.834 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000189408784 200396332 /nfs/dbraw/zinc/39/63/32/200396332.db2.gz GXMRGCJAKJVNSE-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000189408784 200396334 /nfs/dbraw/zinc/39/63/34/200396334.db2.gz GXMRGCJAKJVNSE-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000609268852 360285586 /nfs/dbraw/zinc/28/55/86/360285586.db2.gz GPOWWALPDFSGAM-GFCCVEGCSA-N 1 1 322.365 1.139 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000609269643 360285812 /nfs/dbraw/zinc/28/58/12/360285812.db2.gz UHUZLFGDZFDJOD-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000281199915 216148986 /nfs/dbraw/zinc/14/89/86/216148986.db2.gz CKDVLBFFISQYGN-OLZOCXBDSA-N 1 1 305.334 1.834 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611087777 360618583 /nfs/dbraw/zinc/61/85/83/360618583.db2.gz JIFXFADPXQIQHW-NSHDSACASA-N 1 1 323.397 1.351 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611088152 360619767 /nfs/dbraw/zinc/61/97/67/360619767.db2.gz FRUKRSVEBPPYHP-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611088152 360619774 /nfs/dbraw/zinc/61/97/74/360619774.db2.gz FRUKRSVEBPPYHP-SNVBAGLBSA-N 1 1 317.349 1.637 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc([N+](=O)[O-])c1 ZINC000611515673 360742675 /nfs/dbraw/zinc/74/26/75/360742675.db2.gz KJNMXTVKICAZAZ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000271902338 209310106 /nfs/dbraw/zinc/31/01/06/209310106.db2.gz GVXIXURLAKOTEI-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903271 363789932 /nfs/dbraw/zinc/78/99/32/363789932.db2.gz OFXBHJBFVOMOGP-UHFFFAOYSA-N 1 1 305.313 1.779 20 5 DDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NCc1cccs1 ZINC000350081831 284144588 /nfs/dbraw/zinc/14/45/88/284144588.db2.gz QDKXCJUIQWATDH-UHFFFAOYSA-N 1 1 323.378 1.101 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NCc1cccs1 ZINC000350081831 284144590 /nfs/dbraw/zinc/14/45/90/284144590.db2.gz QDKXCJUIQWATDH-UHFFFAOYSA-N 1 1 323.378 1.101 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000351486023 284336450 /nfs/dbraw/zinc/33/64/50/284336450.db2.gz LTSBOBKVIUSAIH-ZFWWWQNUSA-N 1 1 314.345 1.751 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266271876 205228450 /nfs/dbraw/zinc/22/84/50/205228450.db2.gz RIHRBFFGSWHSQL-LBPRGKRZSA-N 1 1 309.341 1.892 20 5 DDBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416826 205331072 /nfs/dbraw/zinc/33/10/72/205331072.db2.gz HORHLHQYLUZQQV-IAQYHMDHSA-N 1 1 322.340 1.984 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000336861783 249269718 /nfs/dbraw/zinc/26/97/18/249269718.db2.gz ARZQVISWZHXXCT-UHFFFAOYSA-N 1 1 307.285 1.251 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000041873580 183223426 /nfs/dbraw/zinc/22/34/26/183223426.db2.gz XOFANOYLFLYHNF-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285072824 218279048 /nfs/dbraw/zinc/27/90/48/218279048.db2.gz HCYVJHLADODKSH-NSHDSACASA-N 1 1 309.370 1.560 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917673 251275538 /nfs/dbraw/zinc/27/55/38/251275538.db2.gz UWDBFHJLMILHSN-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917673 251275542 /nfs/dbraw/zinc/27/55/42/251275542.db2.gz UWDBFHJLMILHSN-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269193918 207314651 /nfs/dbraw/zinc/31/46/51/207314651.db2.gz PBWGHVGIRHYRAX-LLVKDONJSA-N 1 1 307.350 1.905 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269193918 207314652 /nfs/dbraw/zinc/31/46/52/207314652.db2.gz PBWGHVGIRHYRAX-LLVKDONJSA-N 1 1 307.350 1.905 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)CC3CC3)o2)cc1 ZINC000352490797 285087805 /nfs/dbraw/zinc/08/78/05/285087805.db2.gz LIGQPXRHVIAPQB-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000288627598 220302353 /nfs/dbraw/zinc/30/23/53/220302353.db2.gz YGPJIFAQUAGHRG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000288627598 220302355 /nfs/dbraw/zinc/30/23/55/220302355.db2.gz YGPJIFAQUAGHRG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1noc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157756879 197212825 /nfs/dbraw/zinc/21/28/25/197212825.db2.gz FUMLQOLTJVMEHH-LLVKDONJSA-N 1 1 306.326 1.362 20 5 DDBDMO Cc1noc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157757032 197212606 /nfs/dbraw/zinc/21/26/06/197212606.db2.gz FUMLQOLTJVMEHH-NSHDSACASA-N 1 1 306.326 1.362 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@H]1O ZINC000352657397 285202004 /nfs/dbraw/zinc/20/20/04/285202004.db2.gz AEEYUQQXBRDGAU-CHWSQXEVSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[C@H]1O ZINC000352657397 285202005 /nfs/dbraw/zinc/20/20/05/285202005.db2.gz AEEYUQQXBRDGAU-CHWSQXEVSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000154904403 197004260 /nfs/dbraw/zinc/00/42/60/197004260.db2.gz VYMZUZPTLAMBIX-OCCSQVGLSA-N 1 1 321.381 1.124 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596399 533370749 /nfs/dbraw/zinc/37/07/49/533370749.db2.gz UCNSFDSJZCGBFG-ZIAGYGMSSA-N 1 1 312.370 1.043 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451629619 533327497 /nfs/dbraw/zinc/32/74/97/533327497.db2.gz KJAULPFUSAKPPH-SLEUVZQESA-N 1 1 318.377 1.558 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000072044679 406872521 /nfs/dbraw/zinc/87/25/21/406872521.db2.gz HRRSCRZAABYUGE-CYBMUJFWSA-N 1 1 307.350 1.431 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c1C ZINC000088059572 407120951 /nfs/dbraw/zinc/12/09/51/407120951.db2.gz IYHBKNQXUSAUFN-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066835227 407260575 /nfs/dbraw/zinc/26/05/75/407260575.db2.gz XYORAEABXDJNPV-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066835227 407260577 /nfs/dbraw/zinc/26/05/77/407260577.db2.gz XYORAEABXDJNPV-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO CC[C@](C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123613406 407334527 /nfs/dbraw/zinc/33/45/27/407334527.db2.gz ZXFAUFMJFKBKEG-INIZCTEOSA-N 1 1 321.377 1.514 20 5 DDBDMO CC(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178568725 407496888 /nfs/dbraw/zinc/49/68/88/407496888.db2.gz OAWCYTWTJSHJBT-OAHLLOKOSA-N 1 1 307.350 1.182 20 5 DDBDMO CC(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178568725 407496894 /nfs/dbraw/zinc/49/68/94/407496894.db2.gz OAWCYTWTJSHJBT-OAHLLOKOSA-N 1 1 307.350 1.182 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270967019 407441875 /nfs/dbraw/zinc/44/18/75/407441875.db2.gz VTLDDFAQAVVHFE-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000128579517 407552333 /nfs/dbraw/zinc/55/23/33/407552333.db2.gz XRYLBFMZEALRGU-NSHDSACASA-N 1 1 311.313 1.783 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000266555542 407557094 /nfs/dbraw/zinc/55/70/94/407557094.db2.gz VVLGYKRKLZBDPH-MNOVXSKESA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000266555542 407557098 /nfs/dbraw/zinc/55/70/98/407557098.db2.gz VVLGYKRKLZBDPH-MNOVXSKESA-N 1 1 313.379 1.279 20 5 DDBDMO CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266397159 407537315 /nfs/dbraw/zinc/53/73/15/407537315.db2.gz OXUDAIOITGXYOQ-STQMWFEESA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@H]([NH3+])C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000178812974 407611609 /nfs/dbraw/zinc/61/16/09/407611609.db2.gz CRKFSHRIHAQEAG-VIFPVBQESA-N 1 1 317.349 1.671 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266758726 407626062 /nfs/dbraw/zinc/62/60/62/407626062.db2.gz GUPCUFICYSYZNT-CQSZACIVSA-N 1 1 320.393 1.921 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000171584489 407711498 /nfs/dbraw/zinc/71/14/98/407711498.db2.gz NBTVRIHNBQAFBW-NPQIQWPPSA-N 1 1 301.346 1.915 20 5 DDBDMO CC(C)COC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140632 407762923 /nfs/dbraw/zinc/76/29/23/407762923.db2.gz UARRHIGTNAZYDN-AWEZNQCLSA-N 1 1 308.378 1.986 20 5 DDBDMO CC(C)COC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153140632 407762929 /nfs/dbraw/zinc/76/29/29/407762929.db2.gz UARRHIGTNAZYDN-AWEZNQCLSA-N 1 1 308.378 1.986 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000186779784 407769336 /nfs/dbraw/zinc/76/93/36/407769336.db2.gz ZSQVKANIAPZPIT-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117295788 407827221 /nfs/dbraw/zinc/82/72/21/407827221.db2.gz WSISLICBJDJUTI-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000117295788 407827222 /nfs/dbraw/zinc/82/72/22/407827222.db2.gz WSISLICBJDJUTI-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237692570 407835155 /nfs/dbraw/zinc/83/51/55/407835155.db2.gz ZGHHCEGUOXKARN-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187436475 407857505 /nfs/dbraw/zinc/85/75/05/407857505.db2.gz DZQTUDSYOUPWEN-DOMZBBRYSA-N 1 1 321.377 1.950 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000117982756 407874712 /nfs/dbraw/zinc/87/47/12/407874712.db2.gz BSIXMGMMMKRNPE-UHFFFAOYSA-N 1 1 310.310 1.493 20 5 DDBDMO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153982410 407945760 /nfs/dbraw/zinc/94/57/60/407945760.db2.gz FXAGPSIPIHCXKA-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118841579 407955216 /nfs/dbraw/zinc/95/52/16/407955216.db2.gz RZPPKMJOWJODGK-LBPRGKRZSA-N 1 1 320.393 1.467 20 5 DDBDMO CSC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188067383 407915731 /nfs/dbraw/zinc/91/57/31/407915731.db2.gz QANAIYGPYLXJFD-JQWIXIFHSA-N 1 1 312.395 1.200 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162282 407923024 /nfs/dbraw/zinc/92/30/24/407923024.db2.gz CZEFGTNBLRUUKA-BXUZGUMPSA-N 1 1 303.362 1.736 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153962724 407943229 /nfs/dbraw/zinc/94/32/29/407943229.db2.gz TZMOLVKYLBOCPY-HNNXBMFYSA-N 1 1 305.378 1.936 20 5 DDBDMO Cc1cc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000273039241 408030061 /nfs/dbraw/zinc/03/00/61/408030061.db2.gz WHMDDLPXWGIKMS-UHFFFAOYSA-N 1 1 304.354 1.702 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268431889 408041376 /nfs/dbraw/zinc/04/13/76/408041376.db2.gz BGJRRIPLDLQPCI-CYBMUJFWSA-N 1 1 321.425 1.984 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272596235 408002010 /nfs/dbraw/zinc/00/20/10/408002010.db2.gz IMISXLNLOUTTKI-QMTHXVAHSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000190031890 408151278 /nfs/dbraw/zinc/15/12/78/408151278.db2.gz WBOQRDVOJGWPSQ-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273587494 408257046 /nfs/dbraw/zinc/25/70/46/408257046.db2.gz GTGAEZVOYRTFHY-LBPRGKRZSA-N 1 1 308.386 1.070 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156522995 408261753 /nfs/dbraw/zinc/26/17/53/408261753.db2.gz CXHYPRISOWDQAD-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO CC[NH+](CC)[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269481616 408323211 /nfs/dbraw/zinc/32/32/11/408323211.db2.gz KITZUAOVXDLMHN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269387387 408292056 /nfs/dbraw/zinc/29/20/56/408292056.db2.gz LCXLXWTZXXACFI-JTQLQIEISA-N 1 1 307.354 1.362 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269387387 408292063 /nfs/dbraw/zinc/29/20/63/408292063.db2.gz LCXLXWTZXXACFI-JTQLQIEISA-N 1 1 307.354 1.362 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269387387 408292068 /nfs/dbraw/zinc/29/20/68/408292068.db2.gz LCXLXWTZXXACFI-JTQLQIEISA-N 1 1 307.354 1.362 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000246940322 408372182 /nfs/dbraw/zinc/37/21/82/408372182.db2.gz ZZXFMGHAUDDOJS-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000246940322 408372187 /nfs/dbraw/zinc/37/21/87/408372187.db2.gz ZZXFMGHAUDDOJS-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@@H+](CC)CCO ZINC000274433115 408403938 /nfs/dbraw/zinc/40/39/38/408403938.db2.gz SLHGXBLVLCWONR-UHFFFAOYSA-N 1 1 311.382 1.397 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN(CC)CCO ZINC000274433115 408403943 /nfs/dbraw/zinc/40/39/43/408403943.db2.gz SLHGXBLVLCWONR-UHFFFAOYSA-N 1 1 311.382 1.397 20 5 DDBDMO CN(C)c1cccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000159810932 408436274 /nfs/dbraw/zinc/43/62/74/408436274.db2.gz OGJUSUNSWRYYIU-UHFFFAOYSA-N 1 1 303.366 1.989 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000191772709 408489439 /nfs/dbraw/zinc/48/94/39/408489439.db2.gz CYNJYGWUYIRUAQ-LLVKDONJSA-N 1 1 309.370 1.273 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177131105 408529197 /nfs/dbraw/zinc/52/91/97/408529197.db2.gz IPPDAVNWHXXDAH-WCQYABFASA-N 1 1 303.362 1.879 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275543103 408595655 /nfs/dbraw/zinc/59/56/55/408595655.db2.gz ZFKCGJCLFBREOE-IUODEOHRSA-N 1 1 324.377 1.427 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000192795124 408648725 /nfs/dbraw/zinc/64/87/25/408648725.db2.gz OHIPZHYPJABUSW-VXGBXAGGSA-N 1 1 309.366 1.495 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000249256514 408706591 /nfs/dbraw/zinc/70/65/91/408706591.db2.gz HKTYHIWUIFHJQR-XHDPSFHLSA-N 1 1 318.377 1.733 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000270904578 408733984 /nfs/dbraw/zinc/73/39/84/408733984.db2.gz AINBKNYBBKXQNN-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000249515285 408734799 /nfs/dbraw/zinc/73/47/99/408734799.db2.gz BZMPORYJMHIJSV-QWHCGFSZSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078344 408685545 /nfs/dbraw/zinc/68/55/45/408685545.db2.gz SEQAWAMGMUYOIR-AYRXBEOTSA-N 1 1 324.377 1.568 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270827426 408696805 /nfs/dbraw/zinc/69/68/05/408696805.db2.gz CDHJAPFWEPRQCH-AWEZNQCLSA-N 1 1 319.361 1.670 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251903107 408789047 /nfs/dbraw/zinc/78/90/47/408789047.db2.gz SOJYVZOMZFLQHB-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251903107 408789050 /nfs/dbraw/zinc/78/90/50/408789050.db2.gz SOJYVZOMZFLQHB-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000185309836 408794712 /nfs/dbraw/zinc/79/47/12/408794712.db2.gz MXOZXUWPJWJYAP-CABZTGNLSA-N 1 1 307.354 1.031 20 5 DDBDMO COCCOCCOCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000276263454 408828072 /nfs/dbraw/zinc/82/80/72/408828072.db2.gz PDYPMVSDJAPEDV-UHFFFAOYSA-N 1 1 312.366 1.706 20 5 DDBDMO COCCOCCOCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000276263454 408828073 /nfs/dbraw/zinc/82/80/73/408828073.db2.gz PDYPMVSDJAPEDV-UHFFFAOYSA-N 1 1 312.366 1.706 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H](C)OC ZINC000285682111 408841641 /nfs/dbraw/zinc/84/16/41/408841641.db2.gz NFNVEUSRUTZVOK-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H](C)OC ZINC000285682111 408841643 /nfs/dbraw/zinc/84/16/43/408841643.db2.gz NFNVEUSRUTZVOK-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071923 408918562 /nfs/dbraw/zinc/91/85/62/408918562.db2.gz RWIARSIEYIOKTP-ZFWWWQNUSA-N 1 1 305.378 1.890 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CCOC ZINC000192561864 163226935 /nfs/dbraw/zinc/22/69/35/163226935.db2.gz QJLYZYOFXGIEJS-GFCCVEGCSA-N 1 1 311.386 1.642 20 5 DDBDMO COC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000194733988 163296076 /nfs/dbraw/zinc/29/60/76/163296076.db2.gz BWJAWHJZWVXONC-GFCCVEGCSA-N 1 1 321.333 1.205 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000277482193 408948106 /nfs/dbraw/zinc/94/81/06/408948106.db2.gz CPGBAXREHGDQDY-QWRGUYRKSA-N 1 1 319.365 1.362 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223737 408945111 /nfs/dbraw/zinc/94/51/11/408945111.db2.gz YVIGNNKPZVQCDH-CJNGLKHVSA-N 1 1 305.378 1.890 20 5 DDBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CO ZINC000292038493 408967880 /nfs/dbraw/zinc/96/78/80/408967880.db2.gz AFYSJANYDQVGNK-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)CO ZINC000292038493 408967883 /nfs/dbraw/zinc/96/78/83/408967883.db2.gz AFYSJANYDQVGNK-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292073889 408974556 /nfs/dbraw/zinc/97/45/56/408974556.db2.gz DVEUVNAISZXJPD-MRXNPFEDSA-N 1 1 318.377 1.221 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000279231742 409175120 /nfs/dbraw/zinc/17/51/20/409175120.db2.gz RLXPGRAMGNLHQB-HNNXBMFYSA-N 1 1 303.362 1.880 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283597797 409183608 /nfs/dbraw/zinc/18/36/08/409183608.db2.gz XZXHYEKADYDQED-SNVBAGLBSA-N 1 1 324.356 1.920 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280463452 409315897 /nfs/dbraw/zinc/31/58/97/409315897.db2.gz FUVYPUHMVFLARJ-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106474 409324174 /nfs/dbraw/zinc/32/41/74/409324174.db2.gz VODZDWMWYRMMNU-IINYFYTJSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000295106474 409324176 /nfs/dbraw/zinc/32/41/76/409324176.db2.gz VODZDWMWYRMMNU-IINYFYTJSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000296095418 409429373 /nfs/dbraw/zinc/42/93/73/409429373.db2.gz HPYZSVHGXGFRKE-MBNYWOFBSA-N 1 1 310.350 1.180 20 5 DDBDMO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000303989108 409561007 /nfs/dbraw/zinc/56/10/07/409561007.db2.gz KJPVPQOYTVXXDL-GFCCVEGCSA-N 1 1 309.366 1.649 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000356835189 409647358 /nfs/dbraw/zinc/64/73/58/409647358.db2.gz CILRDVXOIWPNKM-WDEREUQCSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000356835189 409647363 /nfs/dbraw/zinc/64/73/63/409647363.db2.gz CILRDVXOIWPNKM-WDEREUQCSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000356867442 409676983 /nfs/dbraw/zinc/67/69/83/409676983.db2.gz YRBZYJRZROCSEU-MNOVXSKESA-N 1 1 309.341 1.827 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H]1C ZINC000354439075 409855155 /nfs/dbraw/zinc/85/51/55/409855155.db2.gz UXKSYRABUQQWQD-VXGBXAGGSA-N 1 1 308.382 1.878 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000357035897 409807889 /nfs/dbraw/zinc/80/78/89/409807889.db2.gz JHWWBMXGEAYWCK-RYUDHWBXSA-N 1 1 308.382 1.711 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000317099092 409861673 /nfs/dbraw/zinc/86/16/73/409861673.db2.gz BIAQNKFBILJHQE-CMPLNLGQSA-N 1 1 306.366 1.849 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000332116292 409902096 /nfs/dbraw/zinc/90/20/96/409902096.db2.gz VFXLOCWTWBIVLK-UHFFFAOYSA-N 1 1 318.337 1.146 20 5 DDBDMO Cc1nocc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351639858 410129942 /nfs/dbraw/zinc/12/99/42/410129942.db2.gz FXAFKCMVSBTOLD-LBPRGKRZSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1nocc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351639858 410129948 /nfs/dbraw/zinc/12/99/48/410129948.db2.gz FXAFKCMVSBTOLD-LBPRGKRZSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000357663688 410171982 /nfs/dbraw/zinc/17/19/82/410171982.db2.gz LZSLZOLLHHSKLM-GFCCVEGCSA-N 1 1 313.379 1.276 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000351923238 410340165 /nfs/dbraw/zinc/34/01/65/410340165.db2.gz RQVACFLJPPAQGE-CYBMUJFWSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000351923238 410340172 /nfs/dbraw/zinc/34/01/72/410340172.db2.gz RQVACFLJPPAQGE-CYBMUJFWSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000351997800 410401862 /nfs/dbraw/zinc/40/18/62/410401862.db2.gz SNYMPGWFJWOWKC-WCQYABFASA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000351997800 410401864 /nfs/dbraw/zinc/40/18/64/410401864.db2.gz SNYMPGWFJWOWKC-WCQYABFASA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000351997800 410401872 /nfs/dbraw/zinc/40/18/72/410401872.db2.gz SNYMPGWFJWOWKC-WCQYABFASA-N 1 1 311.407 1.951 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC[C@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782699 410459437 /nfs/dbraw/zinc/45/94/37/410459437.db2.gz HESNXNCXLGUGCK-GJZGRUSLSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343472007 410477885 /nfs/dbraw/zinc/47/78/85/410477885.db2.gz ZGDWPQBAXGHDIO-OLZOCXBDSA-N 1 1 320.393 1.630 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000347534900 410601550 /nfs/dbraw/zinc/60/15/50/410601550.db2.gz ZSUSDZOMYRKDBF-QWRGUYRKSA-N 1 1 309.370 1.273 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(N(C)C)n1 ZINC000343569819 410540047 /nfs/dbraw/zinc/54/00/47/410540047.db2.gz YPJHJAYFDLWAHT-UHFFFAOYSA-N 1 1 303.322 2.072 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000330464733 410711752 /nfs/dbraw/zinc/71/17/52/410711752.db2.gz FGJVMEXIJZIKML-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000330464733 410711758 /nfs/dbraw/zinc/71/17/58/410711758.db2.gz FGJVMEXIJZIKML-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000353017500 410736942 /nfs/dbraw/zinc/73/69/42/410736942.db2.gz CQEKYTIYRXKEOH-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000337375110 410745412 /nfs/dbraw/zinc/74/54/12/410745412.db2.gz ZVPPBUKJRAWFPF-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000353046449 410755406 /nfs/dbraw/zinc/75/54/06/410755406.db2.gz AROHVGADWQJTLB-GJZGRUSLSA-N 1 1 302.334 1.599 20 5 DDBDMO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000353055537 410759933 /nfs/dbraw/zinc/75/99/33/410759933.db2.gz FLDIMNSKWBWSLM-SECBINFHSA-N 1 1 319.408 1.337 20 5 DDBDMO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000353055537 410759936 /nfs/dbraw/zinc/75/99/36/410759936.db2.gz FLDIMNSKWBWSLM-SECBINFHSA-N 1 1 319.408 1.337 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330569430 410784124 /nfs/dbraw/zinc/78/41/24/410784124.db2.gz MCUIDYLCPHOQLE-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330572849 410787403 /nfs/dbraw/zinc/78/74/03/410787403.db2.gz DTAOXANNMQNKOY-QWHCGFSZSA-N 1 1 320.393 1.866 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000330628563 410837398 /nfs/dbraw/zinc/83/73/98/410837398.db2.gz LSAIBLVRRMKWLC-QWHCGFSZSA-N 1 1 305.378 1.997 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344045601 410918277 /nfs/dbraw/zinc/91/82/77/410918277.db2.gz JYIHZNKDDBGRSQ-NJZAAPMLSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344045601 410918282 /nfs/dbraw/zinc/91/82/82/410918282.db2.gz JYIHZNKDDBGRSQ-NJZAAPMLSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000359884508 410934509 /nfs/dbraw/zinc/93/45/09/410934509.db2.gz WNXJSVILLBKUPY-HNNXBMFYSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000359884508 410934518 /nfs/dbraw/zinc/93/45/18/410934518.db2.gz WNXJSVILLBKUPY-HNNXBMFYSA-N 1 1 320.393 1.901 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085597 410946557 /nfs/dbraw/zinc/94/65/57/410946557.db2.gz SLPDWASCHPXQQN-TUKIKUTGSA-N 1 1 319.361 1.260 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000341837821 411070143 /nfs/dbraw/zinc/07/01/43/411070143.db2.gz GIUFMCKFBRFDNL-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000341837821 411070146 /nfs/dbraw/zinc/07/01/46/411070146.db2.gz GIUFMCKFBRFDNL-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000356606234 411103821 /nfs/dbraw/zinc/10/38/21/411103821.db2.gz VSGVTOIFSSXCHE-LLVKDONJSA-N 1 1 311.386 1.661 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CCC3)CC2)cn1 ZINC000580815652 422955004 /nfs/dbraw/zinc/95/50/04/422955004.db2.gz FGVARGMXXQMYFJ-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132503784 196260312 /nfs/dbraw/zinc/26/03/12/196260312.db2.gz BHGAEKZUNHXSMU-JTQLQIEISA-N 1 1 307.325 1.948 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776092 226220490 /nfs/dbraw/zinc/22/04/90/226220490.db2.gz PYVCSRWNPPBLFU-CQSZACIVSA-N 1 1 323.349 1.746 20 5 DDBDMO Cc1[nH+]ccn1-c1cccc(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000366507204 418482796 /nfs/dbraw/zinc/48/27/96/418482796.db2.gz LTFTXDUBUXGSCQ-UHFFFAOYSA-N 1 1 313.321 1.793 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000366597764 418494251 /nfs/dbraw/zinc/49/42/51/418494251.db2.gz VDYMIOUNMVACLX-CQSZACIVSA-N 1 1 310.354 1.061 20 5 DDBDMO CCc1nn(C)c(N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000360808680 418523015 /nfs/dbraw/zinc/52/30/15/418523015.db2.gz AZAQPKCYALBNGW-JTQLQIEISA-N 1 1 304.354 1.618 20 5 DDBDMO COCCOC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295421461 418586137 /nfs/dbraw/zinc/58/61/37/418586137.db2.gz YFHSXLARNGBGMO-CQSZACIVSA-N 1 1 312.366 1.093 20 5 DDBDMO Nc1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834581 418642957 /nfs/dbraw/zinc/64/29/57/418642957.db2.gz GKDITEHNWZUOBW-CHWSQXEVSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834581 418642961 /nfs/dbraw/zinc/64/29/61/418642961.db2.gz GKDITEHNWZUOBW-CHWSQXEVSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834583 418643036 /nfs/dbraw/zinc/64/30/36/418643036.db2.gz GKDITEHNWZUOBW-QWHCGFSZSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000367834583 418643039 /nfs/dbraw/zinc/64/30/39/418643039.db2.gz GKDITEHNWZUOBW-QWHCGFSZSA-N 1 1 306.366 1.842 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904685 418738437 /nfs/dbraw/zinc/73/84/37/418738437.db2.gz PRYPEQPVFFEBJJ-YPMHNXCESA-N 1 1 307.350 1.626 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904685 418738439 /nfs/dbraw/zinc/73/84/39/418738439.db2.gz PRYPEQPVFFEBJJ-YPMHNXCESA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000364985495 418829250 /nfs/dbraw/zinc/82/92/50/418829250.db2.gz QYMHSAMEYILDQI-JTQLQIEISA-N 1 1 315.320 1.766 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365106187 418838275 /nfs/dbraw/zinc/83/82/75/418838275.db2.gz CKTBLABIQDJKRP-INIZCTEOSA-N 1 1 319.361 1.770 20 5 DDBDMO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372839446 418907962 /nfs/dbraw/zinc/90/79/62/418907962.db2.gz OOYWVLVNBPGOQL-GJZGRUSLSA-N 1 1 318.377 1.422 20 5 DDBDMO [NH3+][C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424339867 228259180 /nfs/dbraw/zinc/25/91/80/228259180.db2.gz XACVPQWXWJQSTO-VXGBXAGGSA-N 1 1 306.366 1.783 20 5 DDBDMO N[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000424339867 228259183 /nfs/dbraw/zinc/25/91/83/228259183.db2.gz XACVPQWXWJQSTO-VXGBXAGGSA-N 1 1 306.366 1.783 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420960103 419384785 /nfs/dbraw/zinc/38/47/85/419384785.db2.gz RCCAWLUXPIEGAV-MELADBBJSA-N 1 1 312.370 1.042 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002935 419438012 /nfs/dbraw/zinc/43/80/12/419438012.db2.gz BYHULHAPJANSOQ-KWCYVHTRSA-N 1 1 310.350 1.180 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000411949197 419517801 /nfs/dbraw/zinc/51/78/01/419517801.db2.gz NDLJHUYDURLZCJ-VIFPVBQESA-N 1 1 313.304 1.783 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000411949197 419517807 /nfs/dbraw/zinc/51/78/07/419517807.db2.gz NDLJHUYDURLZCJ-VIFPVBQESA-N 1 1 313.304 1.783 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000418118631 419546834 /nfs/dbraw/zinc/54/68/34/419546834.db2.gz TVCCGWBNOQIJHB-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000421707062 419694881 /nfs/dbraw/zinc/69/48/81/419694881.db2.gz WQFZKSXIJQPYKR-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412087445 419642083 /nfs/dbraw/zinc/64/20/83/419642083.db2.gz GUPYBPWTGXVLJB-BYCMXARLSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412087445 419642094 /nfs/dbraw/zinc/64/20/94/419642094.db2.gz GUPYBPWTGXVLJB-BYCMXARLSA-N 1 1 303.362 1.861 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncn1 ZINC000428378655 419857308 /nfs/dbraw/zinc/85/73/08/419857308.db2.gz IKQWHBPXNJQORD-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncn1 ZINC000428378655 419857315 /nfs/dbraw/zinc/85/73/15/419857315.db2.gz IKQWHBPXNJQORD-LBPRGKRZSA-N 1 1 314.349 1.775 20 5 DDBDMO CSC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295841 419998679 /nfs/dbraw/zinc/99/86/79/419998679.db2.gz BGXDXQPPLUGMSP-DGCLKSJQSA-N 1 1 314.411 1.227 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000430787132 420190537 /nfs/dbraw/zinc/19/05/37/420190537.db2.gz FFLGINURLBHFHV-TZMCWYRMSA-N 1 1 321.377 1.881 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955628 420221937 /nfs/dbraw/zinc/22/19/37/420221937.db2.gz MCHQAZPYKWFYPB-WCQYABFASA-N 1 1 320.393 1.901 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CSC[NH2+]1 ZINC000423854799 420228694 /nfs/dbraw/zinc/22/86/94/420228694.db2.gz VZHSLNOCVHATPY-JTQLQIEISA-N 1 1 301.755 1.527 20 5 DDBDMO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430947496 420218829 /nfs/dbraw/zinc/21/88/29/420218829.db2.gz BHDWQTNXGYSWRK-RYUDHWBXSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424014710 420306381 /nfs/dbraw/zinc/30/63/81/420306381.db2.gz LUQRKTKIYNTXLS-VHSXEESVSA-N 1 1 317.349 1.528 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000420813314 420401679 /nfs/dbraw/zinc/40/16/79/420401679.db2.gz YGYMQIKJBWLYOC-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553394 420417138 /nfs/dbraw/zinc/41/71/38/420417138.db2.gz UHMAPFGZPKPUJG-LLVKDONJSA-N 1 1 303.322 1.581 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443058083 420740840 /nfs/dbraw/zinc/74/08/40/420740840.db2.gz JBRPLIPMNVTHFZ-CYBMUJFWSA-N 1 1 320.393 1.903 20 5 DDBDMO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000447604758 420785072 /nfs/dbraw/zinc/78/50/72/420785072.db2.gz CTRCRBOHDFFANU-VXGBXAGGSA-N 1 1 319.369 1.534 20 5 DDBDMO Cc1nnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000447604758 420785075 /nfs/dbraw/zinc/78/50/75/420785075.db2.gz CTRCRBOHDFFANU-VXGBXAGGSA-N 1 1 319.369 1.534 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)o2)c1 ZINC000459694207 420849288 /nfs/dbraw/zinc/84/92/88/420849288.db2.gz GDAOKEYKYPTNSD-IUODEOHRSA-N 1 1 318.329 1.640 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449696754 421061031 /nfs/dbraw/zinc/06/10/31/421061031.db2.gz LDYWPVXYQBURSA-DQOPKJQZSA-N 1 1 306.362 1.939 20 5 DDBDMO CNc1nc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000455381106 421004750 /nfs/dbraw/zinc/00/47/50/421004750.db2.gz JFAOOBPNISPBEF-VIFPVBQESA-N 1 1 307.354 1.244 20 5 DDBDMO O=[N+]([O-])c1c(N[C@H]2CCn3cc[nH+]c3C2)nc2sccn21 ZINC000489875586 421178001 /nfs/dbraw/zinc/17/80/01/421178001.db2.gz OMXHENAGDCYHPV-QMMMGPOBSA-N 1 1 304.335 1.927 20 5 DDBDMO COc1cc(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602008 421216369 /nfs/dbraw/zinc/21/63/69/421216369.db2.gz ZJGHGKZBZXLEQO-ZDUSSCGKSA-N 1 1 309.366 1.862 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccncc1[N+](=O)[O-])C(C)C ZINC000450604473 421216510 /nfs/dbraw/zinc/21/65/10/421216510.db2.gz WSEXBOWREVGUNL-ZDUSSCGKSA-N 1 1 310.354 1.001 20 5 DDBDMO Cc1nc(NC2CCN(c3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000450471517 421201601 /nfs/dbraw/zinc/20/16/01/421201601.db2.gz CRKXSOITTWVQQS-UHFFFAOYSA-N 1 1 317.353 1.508 20 5 DDBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539286 421207638 /nfs/dbraw/zinc/20/76/38/421207638.db2.gz JMAMGXCROZNZDX-GMXVVIOVSA-N 1 1 305.382 1.860 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548391238 421432879 /nfs/dbraw/zinc/43/28/79/421432879.db2.gz NPDCPTKTPVZDLS-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641935 421442061 /nfs/dbraw/zinc/44/20/61/421442061.db2.gz RHHHKVXYMYQRGN-CHWSQXEVSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641935 421442064 /nfs/dbraw/zinc/44/20/64/421442064.db2.gz RHHHKVXYMYQRGN-CHWSQXEVSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000577294231 422384574 /nfs/dbraw/zinc/38/45/74/422384574.db2.gz MGMOGRLPXSVXFO-GHMZBOCLSA-N 1 1 321.381 1.565 20 5 DDBDMO CNC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578374865 422559093 /nfs/dbraw/zinc/55/90/93/422559093.db2.gz TWXMPSKXVFDHAW-LLVKDONJSA-N 1 1 307.354 1.002 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341682533 271167946 /nfs/dbraw/zinc/16/79/46/271167946.db2.gz CRDNIDLTWVSBOY-UONOGXRCSA-N 1 1 321.377 1.505 20 5 DDBDMO CC[N@@H+](CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000342096774 271297126 /nfs/dbraw/zinc/29/71/26/271297126.db2.gz PDARITOHCSSQLH-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO NC1(C[NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1 ZINC000342116767 271302620 /nfs/dbraw/zinc/30/26/20/271302620.db2.gz YQYJXSLYFXPHQO-UHFFFAOYSA-N 1 1 320.349 1.364 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000345764801 272329382 /nfs/dbraw/zinc/32/93/82/272329382.db2.gz DVYAOAGINRHOQW-LBPRGKRZSA-N 1 1 322.365 1.745 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964277 272376884 /nfs/dbraw/zinc/37/68/84/272376884.db2.gz QGPUQGUHNXXJDB-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964277 272376886 /nfs/dbraw/zinc/37/68/86/272376886.db2.gz QGPUQGUHNXXJDB-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964277 272376890 /nfs/dbraw/zinc/37/68/90/272376890.db2.gz QGPUQGUHNXXJDB-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964277 272376892 /nfs/dbraw/zinc/37/68/92/272376892.db2.gz QGPUQGUHNXXJDB-GHMZBOCLSA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000450955071 274348762 /nfs/dbraw/zinc/34/87/62/274348762.db2.gz PEQFRNKCTYIOQY-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO O=C1CCCN1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000071941666 275016950 /nfs/dbraw/zinc/01/69/50/275016950.db2.gz HUNLFOJDGPPBAZ-UHFFFAOYSA-N 1 1 318.377 1.339 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222801 276040731 /nfs/dbraw/zinc/04/07/31/276040731.db2.gz VWDGZNAVKVWCDF-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222801 276040732 /nfs/dbraw/zinc/04/07/32/276040732.db2.gz VWDGZNAVKVWCDF-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222801 276040733 /nfs/dbraw/zinc/04/07/33/276040733.db2.gz VWDGZNAVKVWCDF-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222801 276040734 /nfs/dbraw/zinc/04/07/34/276040734.db2.gz VWDGZNAVKVWCDF-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000273152702 276381264 /nfs/dbraw/zinc/38/12/64/276381264.db2.gz IGQHTGFELDVGAI-OLZOCXBDSA-N 1 1 323.393 1.885 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493715815 278125726 /nfs/dbraw/zinc/12/57/26/278125726.db2.gz BLJBJPPVTQTAMZ-IJVDHGTGSA-N 1 1 307.325 1.768 20 5 DDBDMO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450547692 288264237 /nfs/dbraw/zinc/26/42/37/288264237.db2.gz OPGRZYWRURVHQF-NSHDSACASA-N 1 1 318.377 1.614 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353994488 298333859 /nfs/dbraw/zinc/33/38/59/298333859.db2.gz FTWRESXHQLUGSQ-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354201871 298360959 /nfs/dbraw/zinc/36/09/59/298360959.db2.gz YTBFUOYMUASTKP-LLVKDONJSA-N 1 1 309.370 1.558 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143935 300218995 /nfs/dbraw/zinc/21/89/95/300218995.db2.gz OBEHSWREMNLQJW-WDEREUQCSA-N 1 1 311.363 1.249 20 5 DDBDMO Cn1cc(C[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000368405798 301020755 /nfs/dbraw/zinc/02/07/55/301020755.db2.gz VVLRTGSQJOVRCB-LBPRGKRZSA-N 1 1 304.354 1.089 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952733 301109583 /nfs/dbraw/zinc/10/95/83/301109583.db2.gz XEMHFXPZGJHAJE-GLQYFDAESA-N 1 1 319.361 1.559 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510190 302187904 /nfs/dbraw/zinc/18/79/04/302187904.db2.gz FKHBQBSVJBESCW-NWDGAFQWSA-N 1 1 323.324 1.327 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000377717981 302218630 /nfs/dbraw/zinc/21/86/30/302218630.db2.gz CWZIFSXAVOLACA-DOMZBBRYSA-N 1 1 319.361 1.432 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCCO2 ZINC000531143569 303232816 /nfs/dbraw/zinc/23/28/16/303232816.db2.gz PSMWLHGWWSVMIY-UHFFFAOYSA-N 1 1 318.333 1.695 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000535330000 303346551 /nfs/dbraw/zinc/34/65/51/303346551.db2.gz NXSFVVGNTOSKBY-UHFFFAOYSA-N 1 1 307.306 1.101 20 5 DDBDMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000364755327 307050388 /nfs/dbraw/zinc/05/03/88/307050388.db2.gz PSKYWIGMEZPYDL-DAXOMENPSA-N 1 1 317.389 1.993 20 5 DDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCOCC(F)F)C2)c1 ZINC000365295491 307064045 /nfs/dbraw/zinc/06/40/45/307064045.db2.gz XSYRZXASBSABMF-SNVBAGLBSA-N 1 1 304.297 1.710 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000376643032 307251101 /nfs/dbraw/zinc/25/11/01/307251101.db2.gz MSTRXQXZQSUFFX-FZMZJTMJSA-N 1 1 304.350 1.464 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000566564116 308057227 /nfs/dbraw/zinc/05/72/27/308057227.db2.gz RJFBKBMSKNZGBF-CYBMUJFWSA-N 1 1 308.338 1.296 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC)C1 ZINC000566564116 308057228 /nfs/dbraw/zinc/05/72/28/308057228.db2.gz RJFBKBMSKNZGBF-CYBMUJFWSA-N 1 1 308.338 1.296 20 5 DDBDMO CN(C)C(=O)C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000570633712 308174136 /nfs/dbraw/zinc/17/41/36/308174136.db2.gz AGRZUOUKIFRAEC-UHFFFAOYSA-N 1 1 305.338 1.428 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168848 308264207 /nfs/dbraw/zinc/26/42/07/308264207.db2.gz KUTFCXRCVTYYPU-IUODEOHRSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168848 308264209 /nfs/dbraw/zinc/26/42/09/308264209.db2.gz KUTFCXRCVTYYPU-IUODEOHRSA-N 1 1 311.382 1.185 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488732579 484215869 /nfs/dbraw/zinc/21/58/69/484215869.db2.gz KHRLFTZTGGDMPB-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488732579 484215873 /nfs/dbraw/zinc/21/58/73/484215873.db2.gz KHRLFTZTGGDMPB-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@H+]1CCO ZINC000302378944 533977194 /nfs/dbraw/zinc/97/71/94/533977194.db2.gz GFOQDYAOEUPNJG-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330915847 534103890 /nfs/dbraw/zinc/10/38/90/534103890.db2.gz URUDUWLRVLFSNW-RYUDHWBXSA-N 1 1 306.366 1.606 20 5 DDBDMO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000330787787 534302732 /nfs/dbraw/zinc/30/27/32/534302732.db2.gz PTAVYQPDUYVVBD-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO NC(=O)NC(=O)OCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000494382935 534388368 /nfs/dbraw/zinc/38/83/68/534388368.db2.gz ULUDUZYMZDFSIN-UHFFFAOYSA-N 1 1 322.321 1.148 20 5 DDBDMO NC(=O)NC(=O)OCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000494382935 534388375 /nfs/dbraw/zinc/38/83/75/534388375.db2.gz ULUDUZYMZDFSIN-UHFFFAOYSA-N 1 1 322.321 1.148 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000331872647 534793439 /nfs/dbraw/zinc/79/34/39/534793439.db2.gz FCRQEUCHMIVEKX-UHFFFAOYSA-N 1 1 307.379 1.712 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735857287 598298188 /nfs/dbraw/zinc/29/81/88/598298188.db2.gz SBTRCKFJCOQLKE-UHFFFAOYSA-N 1 1 305.342 1.527 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668796 599590490 /nfs/dbraw/zinc/59/04/90/599590490.db2.gz WOKYVNOMPPLBJS-KOLCDFICSA-N 1 1 317.353 1.670 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000111171980 696642262 /nfs/dbraw/zinc/64/22/62/696642262.db2.gz SVZCMNGIWHFQTJ-CQSZACIVSA-N 1 1 315.377 1.955 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000776593581 698124188 /nfs/dbraw/zinc/12/41/88/698124188.db2.gz YDZBOTWCCZXDSQ-NEPJUHHUSA-N 1 1 320.267 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000776593581 698124189 /nfs/dbraw/zinc/12/41/89/698124189.db2.gz YDZBOTWCCZXDSQ-NEPJUHHUSA-N 1 1 320.267 1.627 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCOCC2)c1 ZINC000750885064 700254296 /nfs/dbraw/zinc/25/42/96/700254296.db2.gz YDNPSNSJWFCIPA-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000732050503 699544901 /nfs/dbraw/zinc/54/49/01/699544901.db2.gz WAIQASOERYOESS-LLVKDONJSA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000732050503 699544902 /nfs/dbraw/zinc/54/49/02/699544902.db2.gz WAIQASOERYOESS-LLVKDONJSA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050503 699544905 /nfs/dbraw/zinc/54/49/05/699544905.db2.gz WAIQASOERYOESS-LLVKDONJSA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050503 699544906 /nfs/dbraw/zinc/54/49/06/699544906.db2.gz WAIQASOERYOESS-LLVKDONJSA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000732050506 699544968 /nfs/dbraw/zinc/54/49/68/699544968.db2.gz WAIQASOERYOESS-NSHDSACASA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000732050506 699544969 /nfs/dbraw/zinc/54/49/69/699544969.db2.gz WAIQASOERYOESS-NSHDSACASA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050506 699544970 /nfs/dbraw/zinc/54/49/70/699544970.db2.gz WAIQASOERYOESS-NSHDSACASA-N 1 1 321.406 1.862 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000732050506 699544971 /nfs/dbraw/zinc/54/49/71/699544971.db2.gz WAIQASOERYOESS-NSHDSACASA-N 1 1 321.406 1.862 20 5 DDBDMO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000742197774 699866339 /nfs/dbraw/zinc/86/63/39/699866339.db2.gz ZWKCYUDSZIYRGO-VIFPVBQESA-N 1 1 303.322 1.247 20 5 DDBDMO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000742197774 699866342 /nfs/dbraw/zinc/86/63/42/699866342.db2.gz ZWKCYUDSZIYRGO-VIFPVBQESA-N 1 1 303.322 1.247 20 5 DDBDMO CCc1[nH]nc(C(=O)OCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000795611115 699878510 /nfs/dbraw/zinc/87/85/10/699878510.db2.gz DVOUZOQUXZBRAP-UHFFFAOYSA-N 1 1 307.310 1.632 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC000754081564 700481367 /nfs/dbraw/zinc/48/13/67/700481367.db2.gz LUOJQPVTSUJMIW-SNVBAGLBSA-N 1 1 311.313 1.263 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC000754081564 700481368 /nfs/dbraw/zinc/48/13/68/700481368.db2.gz LUOJQPVTSUJMIW-SNVBAGLBSA-N 1 1 311.313 1.263 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000761079108 700840920 /nfs/dbraw/zinc/84/09/20/700840920.db2.gz PSULDHKXYGXESO-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804466146 701191965 /nfs/dbraw/zinc/19/19/65/701191965.db2.gz NBXDRAUNUZIXCX-UHFFFAOYSA-N 1 1 302.338 1.237 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000804520573 701197500 /nfs/dbraw/zinc/19/75/00/701197500.db2.gz GEWLUOKDGQLKFQ-NSHDSACASA-N 1 1 322.365 1.981 20 5 DDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568208 701738874 /nfs/dbraw/zinc/73/88/74/701738874.db2.gz OBYUGTCXURKAEV-FAAHXZRKSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568208 701738879 /nfs/dbraw/zinc/73/88/79/701738879.db2.gz OBYUGTCXURKAEV-FAAHXZRKSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568208 701738882 /nfs/dbraw/zinc/73/88/82/701738882.db2.gz OBYUGTCXURKAEV-FAAHXZRKSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866073871 706611170 /nfs/dbraw/zinc/61/11/70/706611170.db2.gz UVXIRYYAJSZOAI-JQWIXIFHSA-N 1 1 309.341 1.875 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000839670016 701774512 /nfs/dbraw/zinc/77/45/12/701774512.db2.gz REVCMAGDSHXZLG-ZFWWWQNUSA-N 1 1 321.377 1.617 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000839785164 701826181 /nfs/dbraw/zinc/82/61/81/701826181.db2.gz BHGNFMJJSDRKBC-NUEKZKHPSA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000839785164 701826189 /nfs/dbraw/zinc/82/61/89/701826189.db2.gz BHGNFMJJSDRKBC-NUEKZKHPSA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000839785164 701826196 /nfs/dbraw/zinc/82/61/96/701826196.db2.gz BHGNFMJJSDRKBC-NUEKZKHPSA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@H]1CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)[C@H]1C ZINC000840058947 701943992 /nfs/dbraw/zinc/94/39/92/701943992.db2.gz YINZDZRBVSSARF-RYUDHWBXSA-N 1 1 321.381 1.500 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866210127 706649636 /nfs/dbraw/zinc/64/96/36/706649636.db2.gz YFGYRTVUFHDXIL-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000879334369 706653061 /nfs/dbraw/zinc/65/30/61/706653061.db2.gz KBSHRCVTRABWJR-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000879334369 706653065 /nfs/dbraw/zinc/65/30/65/706653065.db2.gz KBSHRCVTRABWJR-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842160836 702678263 /nfs/dbraw/zinc/67/82/63/702678263.db2.gz AJMTWPHLFCHMIR-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000843113558 702821425 /nfs/dbraw/zinc/82/14/25/702821425.db2.gz WZPCSHJMYZXRBC-ZBFHGGJFSA-N 1 1 323.393 1.065 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1[NH3+] ZINC000843353689 702865002 /nfs/dbraw/zinc/86/50/02/702865002.db2.gz MXRDREDUEFAZAB-MFKMUULPSA-N 1 1 324.356 1.732 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000843893514 702938889 /nfs/dbraw/zinc/93/88/89/702938889.db2.gz OGNNCZXIKKXBTD-GWCFXTLKSA-N 1 1 307.325 1.818 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879571936 706722102 /nfs/dbraw/zinc/72/21/02/706722102.db2.gz USADZQFHIBHPLU-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO CC1(C)C[C@@H](O)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614941 706738666 /nfs/dbraw/zinc/73/86/66/706738666.db2.gz CKUFJPJTQLUXPA-KGLIPLIRSA-N 1 1 324.377 1.427 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786281 703589051 /nfs/dbraw/zinc/58/90/51/703589051.db2.gz KGJBHKUCDWDKDL-SNVBAGLBSA-N 1 1 308.338 1.603 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000869786152 703853242 /nfs/dbraw/zinc/85/32/42/703853242.db2.gz UCRUYQQEGFDGTF-ZDUSSCGKSA-N 1 1 321.377 1.478 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000819341952 704110675 /nfs/dbraw/zinc/11/06/75/704110675.db2.gz VBGSQTHXUGGRMG-GFCCVEGCSA-N 1 1 303.322 1.414 20 5 DDBDMO CCC[C@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC000870911415 704165246 /nfs/dbraw/zinc/16/52/46/704165246.db2.gz WDHOJYJLLRSPSC-GOEBONIOSA-N 1 1 321.377 1.796 20 5 DDBDMO Cc1noc(CON=C(N)C[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000853665818 704295684 /nfs/dbraw/zinc/29/56/84/704295684.db2.gz DHSNSWYTJZHRMI-SECBINFHSA-N 1 1 311.342 1.764 20 5 DDBDMO Cc1noc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000853665818 704295686 /nfs/dbraw/zinc/29/56/86/704295686.db2.gz DHSNSWYTJZHRMI-SECBINFHSA-N 1 1 311.342 1.764 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000820608430 704309733 /nfs/dbraw/zinc/30/97/33/704309733.db2.gz IWWVOGYXLYSTMC-HNNXBMFYSA-N 1 1 321.381 1.044 20 5 DDBDMO Nc1ncc2c(n1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000857926360 704643659 /nfs/dbraw/zinc/64/36/59/704643659.db2.gz UBHPETIFHJRCIU-CQSZACIVSA-N 1 1 315.333 1.059 20 5 DDBDMO Nc1ncc2c(n1)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000857926360 704643660 /nfs/dbraw/zinc/64/36/60/704643660.db2.gz UBHPETIFHJRCIU-CQSZACIVSA-N 1 1 315.333 1.059 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823244 705182725 /nfs/dbraw/zinc/18/27/25/705182725.db2.gz GVSKQFHBATWMDZ-KGLIPLIRSA-N 1 1 321.352 1.972 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874830375 705189108 /nfs/dbraw/zinc/18/91/08/705189108.db2.gz RGOXYZHZWPMWFB-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846916 705201075 /nfs/dbraw/zinc/20/10/75/705201075.db2.gz LNBKUOHJJLRLNO-HUUCEWRRSA-N 1 1 319.361 1.669 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099412 705599443 /nfs/dbraw/zinc/59/94/43/705599443.db2.gz ZCLTXVLJADWJHE-DOMZBBRYSA-N 1 1 321.377 1.619 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825336862 705649295 /nfs/dbraw/zinc/64/92/95/705649295.db2.gz ADUCSIAUWATCGN-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO CO[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000876955682 705937383 /nfs/dbraw/zinc/93/73/83/705937383.db2.gz AMSUYRLCFUEGOZ-HOCLYGCPSA-N 1 1 321.377 1.796 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000827675022 706047242 /nfs/dbraw/zinc/04/72/42/706047242.db2.gz NHDQVPLWNOXMCS-SMDDNHRTSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000827675022 706047243 /nfs/dbraw/zinc/04/72/43/706047243.db2.gz NHDQVPLWNOXMCS-SMDDNHRTSA-N 1 1 307.350 1.181 20 5 DDBDMO Cn1cc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000878097084 706291497 /nfs/dbraw/zinc/29/14/97/706291497.db2.gz SJMWRDIRMUTJML-ZDUSSCGKSA-N 1 1 321.381 1.305 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c([N+](=O)[O-])n1 ZINC000878097084 706291499 /nfs/dbraw/zinc/29/14/99/706291499.db2.gz SJMWRDIRMUTJML-ZDUSSCGKSA-N 1 1 321.381 1.305 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829576556 706359551 /nfs/dbraw/zinc/35/95/51/706359551.db2.gz CHOCHPCWFVQGIU-SNVBAGLBSA-N 1 1 322.390 1.707 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829576556 706359555 /nfs/dbraw/zinc/35/95/55/706359555.db2.gz CHOCHPCWFVQGIU-SNVBAGLBSA-N 1 1 322.390 1.707 20 5 DDBDMO Cn1nnnc1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000878679148 706466873 /nfs/dbraw/zinc/46/68/73/706466873.db2.gz UJQDLLHFIRTDMZ-CYBMUJFWSA-N 1 1 316.365 1.540 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C[C@@H]1CO ZINC000880489714 706992938 /nfs/dbraw/zinc/99/29/38/706992938.db2.gz HSWPUFANEYSJAF-CYBMUJFWSA-N 1 1 305.334 1.465 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880528824 707005128 /nfs/dbraw/zinc/00/51/28/707005128.db2.gz HBIPXIIVAMFXCW-QEJZJMRPSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880528824 707005129 /nfs/dbraw/zinc/00/51/29/707005129.db2.gz HBIPXIIVAMFXCW-QEJZJMRPSA-N 1 1 319.361 1.229 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614365 707042131 /nfs/dbraw/zinc/04/21/31/707042131.db2.gz UGYSKXHRVSSTSZ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614365 707042133 /nfs/dbraw/zinc/04/21/33/707042133.db2.gz UGYSKXHRVSSTSZ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614365 707042134 /nfs/dbraw/zinc/04/21/34/707042134.db2.gz UGYSKXHRVSSTSZ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000880614365 707042136 /nfs/dbraw/zinc/04/21/36/707042136.db2.gz UGYSKXHRVSSTSZ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)o1 ZINC000872319207 707380526 /nfs/dbraw/zinc/38/05/26/707380526.db2.gz AJGBCTZOMRXKMA-PHIMTYICSA-N 1 1 316.317 1.723 20 5 DDBDMO Cc1nn(C[N@@H+]2CCCCCCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000872667678 707548747 /nfs/dbraw/zinc/54/87/47/707548747.db2.gz LJLFUXYTDGOLCS-UHFFFAOYSA-N 1 1 309.370 1.440 20 5 DDBDMO Cc1nn(C[N@H+]2CCCCCCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000872667678 707548748 /nfs/dbraw/zinc/54/87/48/707548748.db2.gz LJLFUXYTDGOLCS-UHFFFAOYSA-N 1 1 309.370 1.440 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000873249859 707785047 /nfs/dbraw/zinc/78/50/47/707785047.db2.gz MXPVUHPRQSOZTD-OSAQELSMSA-N 1 1 315.377 1.745 20 5 DDBDMO Cc1ccc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251849 707786024 /nfs/dbraw/zinc/78/60/24/707786024.db2.gz LVJODEQCTFBPRN-JKSUJKDBSA-N 1 1 305.378 1.760 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000873256484 707786712 /nfs/dbraw/zinc/78/67/12/707786712.db2.gz MXPVUHPRQSOZTD-UXIGCNINSA-N 1 1 315.377 1.745 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000886032724 708685409 /nfs/dbraw/zinc/68/54/09/708685409.db2.gz MPTXKLJPGDWDMM-AWEZNQCLSA-N 1 1 307.350 1.760 20 5 DDBDMO C[C@](O)(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067228 708691821 /nfs/dbraw/zinc/69/18/21/708691821.db2.gz IPYOMZYTXVUBMZ-ZANVPECISA-N 1 1 316.308 1.492 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887922043 709163905 /nfs/dbraw/zinc/16/39/05/709163905.db2.gz WIXYFBGKYHXDJW-BMIGLBTASA-N 1 1 307.325 1.758 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000887931690 709169056 /nfs/dbraw/zinc/16/90/56/709169056.db2.gz DLNUSWUSAHFWTP-BZNIZROVSA-N 1 1 318.377 1.509 20 5 DDBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000899740581 709184963 /nfs/dbraw/zinc/18/49/63/709184963.db2.gz FFLCSALANHGZJD-UHFFFAOYSA-N 1 1 317.345 1.402 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000912878847 713113306 /nfs/dbraw/zinc/11/33/06/713113306.db2.gz DSRRXIQORXKDFL-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890068705 709730344 /nfs/dbraw/zinc/73/03/44/709730344.db2.gz CFSLWEQWNDBPJL-AWEZNQCLSA-N 1 1 321.377 1.476 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900812298 709773359 /nfs/dbraw/zinc/77/33/59/709773359.db2.gz UVXVWWDWHOUBEI-GXTWGEPZSA-N 1 1 320.393 1.267 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104020 713132304 /nfs/dbraw/zinc/13/23/04/713132304.db2.gz STCAQWJFTNIOJO-KBPBESRZSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104020 713132305 /nfs/dbraw/zinc/13/23/05/713132305.db2.gz STCAQWJFTNIOJO-KBPBESRZSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105962 713132663 /nfs/dbraw/zinc/13/26/63/713132663.db2.gz XKHQFWOFKJFFJN-YPMHNXCESA-N 1 1 322.390 1.299 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105962 713132664 /nfs/dbraw/zinc/13/26/64/713132664.db2.gz XKHQFWOFKJFFJN-YPMHNXCESA-N 1 1 322.390 1.299 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CCO)C2)c1[N+](=O)[O-] ZINC000891949020 710335879 /nfs/dbraw/zinc/33/58/79/710335879.db2.gz YDQVGKBGZMIPJL-LLVKDONJSA-N 1 1 310.350 1.903 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC000928438593 713195820 /nfs/dbraw/zinc/19/58/20/713195820.db2.gz GIDSEGYKKFEHRN-CABZTGNLSA-N 1 1 324.356 1.622 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000896379803 711714961 /nfs/dbraw/zinc/71/49/61/711714961.db2.gz FCGZMSXTGNDFEU-LLVKDONJSA-N 1 1 324.333 1.504 20 5 DDBDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905287093 711993313 /nfs/dbraw/zinc/99/33/13/711993313.db2.gz XAPSCHZQBJVTHP-UHFFFAOYSA-N 1 1 306.771 1.500 20 5 DDBDMO CCO[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000905581901 712085835 /nfs/dbraw/zinc/08/58/35/712085835.db2.gz ZPCMKYYWNGWQMR-GJZGRUSLSA-N 1 1 311.382 1.185 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908267259 712724619 /nfs/dbraw/zinc/72/46/19/712724619.db2.gz FAPHVWNZWJAPDE-MRXNPFEDSA-N 1 1 321.377 1.997 20 5 DDBDMO C[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000916142051 713444723 /nfs/dbraw/zinc/44/47/23/713444723.db2.gz AUHZNXZVFKVPPG-UHFFFAOYSA-N 1 1 312.757 1.434 20 5 DDBDMO O=C1NCCN1CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000933575837 714622125 /nfs/dbraw/zinc/62/21/25/714622125.db2.gz HRLWSLGHYKKCIS-UHFFFAOYSA-N 1 1 319.365 1.227 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121651 714747714 /nfs/dbraw/zinc/74/77/14/714747714.db2.gz NZZFCBHPBKAFSJ-KGLIPLIRSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121651 714747716 /nfs/dbraw/zinc/74/77/16/714747716.db2.gz NZZFCBHPBKAFSJ-KGLIPLIRSA-N 1 1 307.350 1.951 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001164664735 719390282 /nfs/dbraw/zinc/39/02/82/719390282.db2.gz COEQLDSSFIOBFM-UONOGXRCSA-N 1 1 314.345 1.662 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000347409210 719474903 /nfs/dbraw/zinc/47/49/03/719474903.db2.gz GYAWUDBSYJFAFF-QWHCGFSZSA-N 1 1 315.333 1.057 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000590694494 719481971 /nfs/dbraw/zinc/48/19/71/719481971.db2.gz XDWXIXXHPVIZHH-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063940 734368188 /nfs/dbraw/zinc/36/81/88/734368188.db2.gz QDVNVDLQOVONRG-LXTVHRRPSA-N 1 1 309.410 1.859 20 5 DDBDMO OC1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C[NH2+]C1 ZINC001211855809 740341602 /nfs/dbraw/zinc/34/16/02/740341602.db2.gz CFUDBAZLNUISKY-UHFFFAOYSA-N 1 1 319.324 1.624 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CCC[N@@H+](C4COC4)C3)ccc12 ZINC001168366975 742862974 /nfs/dbraw/zinc/86/29/74/742862974.db2.gz GHLKVFOWDVZDOG-SNVBAGLBSA-N 1 1 317.349 1.746 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2nc(N[C@@H]3CCC[N@H+](C4COC4)C3)ccc12 ZINC001168366975 742862985 /nfs/dbraw/zinc/86/29/85/742862985.db2.gz GHLKVFOWDVZDOG-SNVBAGLBSA-N 1 1 317.349 1.746 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC001187198043 744515790 /nfs/dbraw/zinc/51/57/90/744515790.db2.gz DBAOMCHFMOCAQQ-VIFPVBQESA-N 1 1 317.305 1.318 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)[nH]1 ZINC001195213837 746550806 /nfs/dbraw/zinc/55/08/06/746550806.db2.gz JPODTERDZCKYOA-NSHDSACASA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC001195213837 746550809 /nfs/dbraw/zinc/55/08/09/746550809.db2.gz JPODTERDZCKYOA-NSHDSACASA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC001195213837 746550811 /nfs/dbraw/zinc/55/08/11/746550811.db2.gz JPODTERDZCKYOA-NSHDSACASA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n[nH]1 ZINC001195213837 746550812 /nfs/dbraw/zinc/55/08/12/746550812.db2.gz JPODTERDZCKYOA-NSHDSACASA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n[nH]1 ZINC001195213837 746550814 /nfs/dbraw/zinc/55/08/14/746550814.db2.gz JPODTERDZCKYOA-NSHDSACASA-N 1 1 305.342 1.016 20 5 DDBDMO CNC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759130 747248497 /nfs/dbraw/zinc/24/84/97/747248497.db2.gz NBKNNJQCOGSYSI-OCCSQVGLSA-N 1 1 322.365 1.022 20 5 DDBDMO CNC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759130 747248500 /nfs/dbraw/zinc/24/85/00/747248500.db2.gz NBKNNJQCOGSYSI-OCCSQVGLSA-N 1 1 322.365 1.022 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107280110 749725628 /nfs/dbraw/zinc/72/56/28/749725628.db2.gz ICJXQZHILLYJHU-PLNGDYQASA-N 1 1 321.381 1.416 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675939 762080081 /nfs/dbraw/zinc/08/00/81/762080081.db2.gz ZBRLAERSXSVXMC-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCC1=CC[N@H+](CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675939 762080089 /nfs/dbraw/zinc/08/00/89/762080089.db2.gz ZBRLAERSXSVXMC-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675939 762080096 /nfs/dbraw/zinc/08/00/96/762080096.db2.gz ZBRLAERSXSVXMC-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038653 762193556 /nfs/dbraw/zinc/19/35/56/762193556.db2.gz JXKLKTISFAUVFU-CVEARBPZSA-N 1 1 317.389 1.776 20 5 DDBDMO O=C1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001169038653 762193559 /nfs/dbraw/zinc/19/35/59/762193559.db2.gz JXKLKTISFAUVFU-CVEARBPZSA-N 1 1 317.389 1.776 20 5 DDBDMO Cc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052443 762207203 /nfs/dbraw/zinc/20/72/03/762207203.db2.gz FXQUKIUJJHCXMG-MELADBBJSA-N 1 1 306.366 1.684 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccncc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138787 760613160 /nfs/dbraw/zinc/61/31/60/760613160.db2.gz AJIBGEZTJYTBOP-PRULPYPASA-N 1 1 324.768 1.137 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347075 766278188 /nfs/dbraw/zinc/27/81/88/766278188.db2.gz QAHMXNMPQXBTEB-FZMZJTMJSA-N 1 1 321.377 1.874 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347075 766278189 /nfs/dbraw/zinc/27/81/89/766278189.db2.gz QAHMXNMPQXBTEB-FZMZJTMJSA-N 1 1 321.377 1.874 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134144706 770707780 /nfs/dbraw/zinc/70/77/80/770707780.db2.gz YIZCTTYTXSRZGD-NSHDSACASA-N 1 1 314.345 1.764 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001134144706 770707789 /nfs/dbraw/zinc/70/77/89/770707789.db2.gz YIZCTTYTXSRZGD-NSHDSACASA-N 1 1 314.345 1.764 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097037350 771590920 /nfs/dbraw/zinc/59/09/20/771590920.db2.gz NAHWEXPHIFLHOD-HAQNSBGRSA-N 1 1 321.381 1.389 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231935 777063949 /nfs/dbraw/zinc/06/39/49/777063949.db2.gz PAVWENMSIMTQIQ-DOMZBBRYSA-N 1 1 322.361 1.790 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCN1CCN(C)CC1 ZINC001173234050 777065252 /nfs/dbraw/zinc/06/52/52/777065252.db2.gz OYZLGNAIVSHZSO-OAHLLOKOSA-N 1 1 320.437 1.705 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CCN(C)CC1 ZINC001173234050 777065254 /nfs/dbraw/zinc/06/52/54/777065254.db2.gz OYZLGNAIVSHZSO-OAHLLOKOSA-N 1 1 320.437 1.705 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001177513507 778629506 /nfs/dbraw/zinc/62/95/06/778629506.db2.gz DPULUXBIDOFTMU-UHFFFAOYSA-N 1 1 317.349 1.674 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001119576847 781522048 /nfs/dbraw/zinc/52/20/48/781522048.db2.gz BSBBDIQSWQQWAE-PELKAZGASA-N 1 1 324.768 1.607 20 5 DDBDMO O=C(CCCF)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001266903697 837034557 /nfs/dbraw/zinc/03/45/57/837034557.db2.gz QUKKVTVTWTUCDM-VIKVFOODSA-N 1 1 321.352 1.891 20 5 DDBDMO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268238111 839876779 /nfs/dbraw/zinc/87/67/79/839876779.db2.gz WYXHINIHIUXCJO-HZPDHXFCSA-N 1 1 319.405 1.804 20 5 DDBDMO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268238111 839876782 /nfs/dbraw/zinc/87/67/82/839876782.db2.gz WYXHINIHIUXCJO-HZPDHXFCSA-N 1 1 319.405 1.804 20 5 DDBDMO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268238111 839876788 /nfs/dbraw/zinc/87/67/88/839876788.db2.gz WYXHINIHIUXCJO-HZPDHXFCSA-N 1 1 319.405 1.804 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855048 849611511 /nfs/dbraw/zinc/61/15/11/849611511.db2.gz LHQXWTIHCFXOFB-JGVFFNPUSA-N 1 1 315.761 1.384 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141946887 860977412 /nfs/dbraw/zinc/97/74/12/860977412.db2.gz GHWLIOBFRHWRCC-SECBINFHSA-N 1 1 318.337 1.143 20 5 DDBDMO O=[N+]([O-])C[C@H](OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961845 881611859 /nfs/dbraw/zinc/61/18/59/881611859.db2.gz SBEBDIARCKVSJI-IRXDYDNUSA-N 1 1 320.389 1.959 20 5 DDBDMO O=[N+]([O-])C[C@H](OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961845 881611869 /nfs/dbraw/zinc/61/18/69/881611869.db2.gz SBEBDIARCKVSJI-IRXDYDNUSA-N 1 1 320.389 1.959 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001329283677 863576750 /nfs/dbraw/zinc/57/67/50/863576750.db2.gz NGHFGDMHUOFHEB-UHFFFAOYSA-N 1 1 307.354 1.232 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001157259094 863688892 /nfs/dbraw/zinc/68/88/92/863688892.db2.gz CQCIZUODGUGMID-MFKMUULPSA-N 1 1 320.349 1.307 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266083 863696120 /nfs/dbraw/zinc/69/61/20/863696120.db2.gz NQEOHOJJWFQXQE-GXFFZTMASA-N 1 1 320.349 1.307 20 5 DDBDMO [NH3+]Cc1ncn(-c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001157931540 864277145 /nfs/dbraw/zinc/27/71/45/864277145.db2.gz RKOKAIJJEIVAHE-UHFFFAOYSA-N 1 1 304.697 1.836 20 5 DDBDMO [NH3+]Cc1ncn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)n1 ZINC001157931742 864277524 /nfs/dbraw/zinc/27/75/24/864277524.db2.gz XKFLMDBIUVRNGG-UHFFFAOYSA-N 1 1 315.268 1.230 20 5 DDBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158432321 864652560 /nfs/dbraw/zinc/65/25/60/864652560.db2.gz JMNFRUIWKJPLIC-MASHWEEQSA-N 1 1 303.366 1.416 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090425 865675529 /nfs/dbraw/zinc/67/55/29/865675529.db2.gz FQYZVGDVUGMKAT-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCCC1=CC[N@H+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090425 865675534 /nfs/dbraw/zinc/67/55/34/865675534.db2.gz FQYZVGDVUGMKAT-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160090425 865675537 /nfs/dbraw/zinc/67/55/37/865675537.db2.gz FQYZVGDVUGMKAT-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N[C@@H](CCC[NH3+])C(=O)[O-])ncc1[N+](=O)[O-] ZINC001160597163 865964842 /nfs/dbraw/zinc/96/48/42/865964842.db2.gz BHAZEVAFKCIVSN-ZRQQLDRUSA-N 1 1 323.353 1.126 20 5 DDBDMO COC(=O)[C@H]1C[C@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001161042341 866309773 /nfs/dbraw/zinc/30/97/73/866309773.db2.gz MHTHJFACDMPZMD-XMXMHJJKSA-N 1 1 320.349 1.743 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC001161176668 866424161 /nfs/dbraw/zinc/42/41/61/866424161.db2.gz AHBLVHYHLIVSIK-JTQLQIEISA-N 1 1 320.349 1.815 20 5 DDBDMO CN1CC[NH+](CCCNc2cnc(Cl)cc2[N+](=O)[O-])CC1 ZINC001161703312 866911939 /nfs/dbraw/zinc/91/19/39/866911939.db2.gz CNSCBLKEMYRXSD-UHFFFAOYSA-N 1 1 313.789 1.693 20 5 DDBDMO C[NH+]1CCN(CCCNc2cccc3ncc([N+](=O)[O-])n32)CC1 ZINC001161710355 866922546 /nfs/dbraw/zinc/92/25/46/866922546.db2.gz DGXDCBSFCBTNAK-UHFFFAOYSA-N 1 1 318.381 1.292 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001333822055 867045090 /nfs/dbraw/zinc/04/50/90/867045090.db2.gz GASSHMORLGVKEC-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961866 882131675 /nfs/dbraw/zinc/13/16/75/882131675.db2.gz ASHZMXDHLDKJFL-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961866 882131684 /nfs/dbraw/zinc/13/16/84/882131684.db2.gz ASHZMXDHLDKJFL-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO C[NH+](C)C=Cc1cc(NC[C@H]2CNC(=O)O2)ncc1[N+](=O)[O-] ZINC001163022554 868012625 /nfs/dbraw/zinc/01/26/25/868012625.db2.gz KASRYSMFVBHACG-FSIBCCDJSA-N 1 1 307.310 1.042 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001335422083 868284856 /nfs/dbraw/zinc/28/48/56/868284856.db2.gz QPNBIYDLVCBQAI-ZFWWWQNUSA-N 1 1 318.377 1.483 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173300 882250992 /nfs/dbraw/zinc/25/09/92/882250992.db2.gz RXCLVLPOQXMHRD-LBPRGKRZSA-N 1 1 307.350 1.945 20 5 DDBDMO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC001336650330 869073893 /nfs/dbraw/zinc/07/38/93/869073893.db2.gz DKVRFWSGKARLRX-LLVKDONJSA-N 1 1 305.382 1.883 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1[N+](=O)[O-] ZINC001337837312 869652648 /nfs/dbraw/zinc/65/26/48/869652648.db2.gz ZXRKZUFYVVHDNO-HZSPNIEDSA-N 1 1 303.362 1.973 20 5 DDBDMO C[NH+]1CCN(C(=O)CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001337840371 869654050 /nfs/dbraw/zinc/65/40/50/869654050.db2.gz HQSTYIYKJWVDFA-UHFFFAOYSA-N 1 1 312.757 1.434 20 5 DDBDMO C[C@@H]1C(=O)N(C)CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001167038440 870494567 /nfs/dbraw/zinc/49/45/67/870494567.db2.gz XERRQNRFOGZEJY-MVIFTORASA-N 1 1 319.365 1.189 20 5 DDBDMO COC(=O)c1cc(O[C@@H]2CC[N@@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440879 882433320 /nfs/dbraw/zinc/43/33/20/882433320.db2.gz GWJHZQVYZHMNMD-SECBINFHSA-N 1 1 310.306 1.473 20 5 DDBDMO COC(=O)c1cnc(NC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001339859039 870740803 /nfs/dbraw/zinc/74/08/03/870740803.db2.gz ZCHPTVXDNPZOLO-LLVKDONJSA-N 1 1 308.338 1.673 20 5 DDBDMO CC(C)(C(=O)N1CC([NH2+]C2COC2)C1)c1ccccc1[N+](=O)[O-] ZINC001304208443 871200907 /nfs/dbraw/zinc/20/09/07/871200907.db2.gz LZGDLNDGNCNZSF-UHFFFAOYSA-N 1 1 319.361 1.072 20 5 DDBDMO Cn1c[nH+]cc1CCCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001307404586 871433878 /nfs/dbraw/zinc/43/38/78/871433878.db2.gz OCSVRCYEDWPUDO-UHFFFAOYSA-N 1 1 313.321 1.615 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001341358558 871620038 /nfs/dbraw/zinc/62/00/38/871620038.db2.gz IHYNNEIVYHFRGY-LBPRGKRZSA-N 1 1 324.429 1.709 20 5 DDBDMO COc1c(O)ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001342829737 872405563 /nfs/dbraw/zinc/40/55/63/872405563.db2.gz LSUYWYYWQDIBSO-ZDUSSCGKSA-N 1 1 321.377 1.979 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001319181580 872482384 /nfs/dbraw/zinc/48/23/84/872482384.db2.gz MKZCNYDJRIZNDQ-GZBFAFLISA-N 1 1 308.382 1.664 20 5 DDBDMO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348223682 874434342 /nfs/dbraw/zinc/43/43/42/874434342.db2.gz GCOXVLOSLVBQIX-CUOATXAZSA-N 1 1 305.334 1.370 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348223682 874434347 /nfs/dbraw/zinc/43/43/47/874434347.db2.gz GCOXVLOSLVBQIX-CUOATXAZSA-N 1 1 305.334 1.370 20 5 DDBDMO Cc1nn(C[N@H+](C)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001356022585 878828842 /nfs/dbraw/zinc/82/88/42/878828842.db2.gz LNZNWORIOJIIAR-UHFFFAOYSA-N 1 1 318.333 1.960 20 5 DDBDMO Cc1nn(C[N@@H+](C)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001356022585 878828856 /nfs/dbraw/zinc/82/88/56/878828856.db2.gz LNZNWORIOJIIAR-UHFFFAOYSA-N 1 1 318.333 1.960 20 5 DDBDMO COCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277397777 884039375 /nfs/dbraw/zinc/03/93/75/884039375.db2.gz VLXZETRBUNHOHK-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO COCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277397777 884039359 /nfs/dbraw/zinc/03/93/59/884039359.db2.gz VLXZETRBUNHOHK-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO COCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277397777 884039389 /nfs/dbraw/zinc/03/93/89/884039389.db2.gz VLXZETRBUNHOHK-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO C[N@@H+](CCCNC(=O)C(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001231027116 885145551 /nfs/dbraw/zinc/14/55/51/885145551.db2.gz BTHQNIONRHQGFP-UHFFFAOYSA-N 1 1 301.293 1.798 20 5 DDBDMO N[C@@H](Cc1[nH]cc[nH+]1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247347712 893169164 /nfs/dbraw/zinc/16/91/64/893169164.db2.gz VIQSLHYKULFQOH-ZETCQYMHSA-N 1 1 319.256 1.145 20 5 DDBDMO [NH3+]C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC(F)(F)C1 ZINC001248704621 893676039 /nfs/dbraw/zinc/67/60/39/893676039.db2.gz BUQBTUWUZFFPCO-UHFFFAOYSA-N 1 1 315.211 1.762 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001254553086 896499638 /nfs/dbraw/zinc/49/96/38/896499638.db2.gz RWVQEIUHSFCQJW-MLGOLLRUSA-N 1 1 303.362 1.738 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001254563642 896501870 /nfs/dbraw/zinc/50/18/70/896501870.db2.gz ABAOWLRLQWYDOQ-SWLSCSKDSA-N 1 1 322.361 1.790 20 5 DDBDMO CN1CCN(CCC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568889 896504941 /nfs/dbraw/zinc/50/49/41/896504941.db2.gz VURKIACBAZLFKK-INIZCTEOSA-N 1 1 318.421 1.289 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(CC(F)F)CC1)C2 ZINC001254609550 896530650 /nfs/dbraw/zinc/53/06/50/896530650.db2.gz XCTGJJVTNKDCRN-AWEZNQCLSA-N 1 1 311.332 1.945 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000248671347 282098454 /nfs/dbraw/zinc/09/84/54/282098454.db2.gz QSCYALNLGWISIQ-NEPJUHHUSA-N 1 1 323.397 1.661 20 5 DDBDMO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305452877 231008908 /nfs/dbraw/zinc/00/89/08/231008908.db2.gz RZSRBBZBFMRICC-WFASDCNBSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305452877 231008909 /nfs/dbraw/zinc/00/89/09/231008909.db2.gz RZSRBBZBFMRICC-WFASDCNBSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378586 231081371 /nfs/dbraw/zinc/08/13/71/231081371.db2.gz YLHKBCFTWRHOJX-RMRKRWHISA-N 1 1 315.373 1.901 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000451345391 231072876 /nfs/dbraw/zinc/07/28/76/231072876.db2.gz QROGHMBOQHWSSC-BFHYXJOUSA-N 1 1 308.382 1.807 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249548873 282170255 /nfs/dbraw/zinc/17/02/55/282170255.db2.gz HDCBNFZNMDSCTB-WBIUFABUSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249548873 282170258 /nfs/dbraw/zinc/17/02/58/282170258.db2.gz HDCBNFZNMDSCTB-WBIUFABUSA-N 1 1 321.377 1.933 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552602 185302986 /nfs/dbraw/zinc/30/29/86/185302986.db2.gz IHEYZFTXTUANNS-ZFWWWQNUSA-N 1 1 320.393 1.173 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451633433 529798257 /nfs/dbraw/zinc/79/82/57/529798257.db2.gz PUQNENJIMHVPRW-RISCZKNCSA-N 1 1 304.350 1.169 20 5 DDBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272748875 210152217 /nfs/dbraw/zinc/15/22/17/210152217.db2.gz NYZOGGJQKYFWBP-GFCCVEGCSA-N 1 1 303.362 1.904 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279708058 215079453 /nfs/dbraw/zinc/07/94/53/215079453.db2.gz HRPSJSAVIJIJMO-GXTWGEPZSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279790387 215148915 /nfs/dbraw/zinc/14/89/15/215148915.db2.gz OGTRKTFUTSUYRQ-CQSZACIVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1sc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000048383809 352537930 /nfs/dbraw/zinc/53/79/30/352537930.db2.gz YNQZJVDXQBSOFD-UHFFFAOYSA-N 1 1 313.379 1.417 20 5 DDBDMO CCOC1CC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000286995195 219261466 /nfs/dbraw/zinc/26/14/66/219261466.db2.gz PRWDNCVBAOEPJF-UHFFFAOYSA-N 1 1 307.350 1.693 20 5 DDBDMO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000279901197 215220298 /nfs/dbraw/zinc/22/02/98/215220298.db2.gz VEGGLDNLRKJPGQ-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000279901197 215220301 /nfs/dbraw/zinc/22/03/01/215220301.db2.gz VEGGLDNLRKJPGQ-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO CON1CCC([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000459591238 233344195 /nfs/dbraw/zinc/34/41/95/233344195.db2.gz TUQNTRBENHDLMJ-UHFFFAOYSA-N 1 1 309.366 1.931 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266859524 186361976 /nfs/dbraw/zinc/36/19/76/186361976.db2.gz JEQFMLYMLXLORE-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266859524 186361978 /nfs/dbraw/zinc/36/19/78/186361978.db2.gz JEQFMLYMLXLORE-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000531 307113945 /nfs/dbraw/zinc/11/39/45/307113945.db2.gz ITNSNNQZROEUJL-RYUDHWBXSA-N 1 1 309.370 1.343 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000531 307113946 /nfs/dbraw/zinc/11/39/46/307113946.db2.gz ITNSNNQZROEUJL-RYUDHWBXSA-N 1 1 309.370 1.343 20 5 DDBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000287221558 219389458 /nfs/dbraw/zinc/38/94/58/219389458.db2.gz FKYCKKKMKBHBQL-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000287221558 219389461 /nfs/dbraw/zinc/38/94/61/219389461.db2.gz FKYCKKKMKBHBQL-UHFFFAOYSA-N 1 1 305.338 1.335 20 5 DDBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072630225 191205160 /nfs/dbraw/zinc/20/51/60/191205160.db2.gz QFZOFCAXHORIPK-NHYWBVRUSA-N 1 1 320.349 1.551 20 5 DDBDMO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047295365 352489596 /nfs/dbraw/zinc/48/95/96/352489596.db2.gz BQBZVMXICACNEW-ZIAGYGMSSA-N 1 1 309.410 1.957 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066137800 352979443 /nfs/dbraw/zinc/97/94/43/352979443.db2.gz BURPGBDVGAZKQL-LBPRGKRZSA-N 1 1 309.366 1.820 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174759713 198380994 /nfs/dbraw/zinc/38/09/94/198380994.db2.gz SBWHBDBACCGKJH-LLVKDONJSA-N 1 1 323.397 1.684 20 5 DDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995712 353501186 /nfs/dbraw/zinc/50/11/86/353501186.db2.gz XATXZHJUWCBTSZ-NSHDSACASA-N 1 1 324.337 1.883 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)C1CC1 ZINC000079769569 353576683 /nfs/dbraw/zinc/57/66/83/353576683.db2.gz NYPVLZVAOOTCSA-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)C1CC1 ZINC000079769569 353576684 /nfs/dbraw/zinc/57/66/84/353576684.db2.gz NYPVLZVAOOTCSA-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000084259671 353719256 /nfs/dbraw/zinc/71/92/56/353719256.db2.gz CBXNSHIHRSKCQV-CVEARBPZSA-N 1 1 317.389 1.775 20 5 DDBDMO C[N@@H+](CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000087135694 353747317 /nfs/dbraw/zinc/74/73/17/353747317.db2.gz AOCJZTDVMOMTCZ-UHFFFAOYSA-N 1 1 318.377 1.757 20 5 DDBDMO O=C(CC[N@H+]1CCc2n[nH]cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091078983 353809240 /nfs/dbraw/zinc/80/92/40/353809240.db2.gz KJKFOHHVIYQBQU-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000109689360 353957456 /nfs/dbraw/zinc/95/74/56/353957456.db2.gz KYBLBXUEWPENRT-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO O=c1ccn(Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000345646273 282999463 /nfs/dbraw/zinc/99/94/63/282999463.db2.gz UXVCWNIOQBZAJZ-UHFFFAOYSA-N 1 1 302.212 1.564 20 5 DDBDMO COc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000142317188 354143972 /nfs/dbraw/zinc/14/39/72/354143972.db2.gz NYYKIZHHPZHLTE-ZDUSSCGKSA-N 1 1 319.361 1.914 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000319518175 354521829 /nfs/dbraw/zinc/52/18/29/354521829.db2.gz JGLLNJUTMKWCOV-ZDUSSCGKSA-N 1 1 305.338 1.166 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000589497058 354996634 /nfs/dbraw/zinc/99/66/34/354996634.db2.gz LKRJUTDYVNJRRT-NSHDSACASA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000589497058 354996636 /nfs/dbraw/zinc/99/66/36/354996636.db2.gz LKRJUTDYVNJRRT-NSHDSACASA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590044134 355042415 /nfs/dbraw/zinc/04/24/15/355042415.db2.gz HGHYQLITGDWLKP-DGCLKSJQSA-N 1 1 305.334 1.136 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392520 355083930 /nfs/dbraw/zinc/08/39/30/355083930.db2.gz ZFYRAHPMFQDIRO-UHFFFAOYSA-N 1 1 323.324 1.138 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000494968481 235108551 /nfs/dbraw/zinc/10/85/51/235108551.db2.gz CNBYCCQYPBLKFC-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442839 355096436 /nfs/dbraw/zinc/09/64/36/355096436.db2.gz HLYSCOOTNPVXSX-SMDDNHRTSA-N 1 1 304.350 1.169 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000590444459 355098686 /nfs/dbraw/zinc/09/86/86/355098686.db2.gz LZJTWHXXBUCMKJ-UFBFGSQYSA-N 1 1 308.313 1.092 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655917 355138942 /nfs/dbraw/zinc/13/89/42/355138942.db2.gz MZFNRPSVYUMKFS-AAEUAGOBSA-N 1 1 322.361 1.959 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000590663820 355139994 /nfs/dbraw/zinc/13/99/94/355139994.db2.gz PRAROIVFINRYHH-LBPRGKRZSA-N 1 1 322.361 1.976 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCCC2)O1 ZINC000592193272 355531395 /nfs/dbraw/zinc/53/13/95/355531395.db2.gz LDHSYUWCJLTJSM-CYBMUJFWSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCCC2)O1 ZINC000592193272 355531397 /nfs/dbraw/zinc/53/13/97/355531397.db2.gz LDHSYUWCJLTJSM-CYBMUJFWSA-N 1 1 321.377 1.790 20 5 DDBDMO CC1([NH3+])CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592330692 355560474 /nfs/dbraw/zinc/56/04/74/355560474.db2.gz BGZZVMCSGAHTRV-UHFFFAOYSA-N 1 1 303.322 1.425 20 5 DDBDMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2COC)ccc1[N+](=O)[O-] ZINC000593065296 355784724 /nfs/dbraw/zinc/78/47/24/355784724.db2.gz YGGCIHJJHWHZGH-QWHCGFSZSA-N 1 1 310.350 1.575 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2COC)ccc1[N+](=O)[O-] ZINC000593065296 355784726 /nfs/dbraw/zinc/78/47/26/355784726.db2.gz YGGCIHJJHWHZGH-QWHCGFSZSA-N 1 1 310.350 1.575 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593720278 355976393 /nfs/dbraw/zinc/97/63/93/355976393.db2.gz JPMZGUOOVYVVRN-FZMZJTMJSA-N 1 1 307.325 1.439 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000593727840 355977359 /nfs/dbraw/zinc/97/73/59/355977359.db2.gz TXYVXJRPHXWMGH-INIZCTEOSA-N 1 1 314.345 1.842 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000593664339 355959869 /nfs/dbraw/zinc/95/98/69/355959869.db2.gz PKFABLKIBLWVTB-TXEJJXNPSA-N 1 1 307.325 1.296 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000594418783 356204116 /nfs/dbraw/zinc/20/41/16/356204116.db2.gz LAWMUTVBSARCJC-NEPJUHHUSA-N 1 1 320.349 1.442 20 5 DDBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594575990 356253286 /nfs/dbraw/zinc/25/32/86/356253286.db2.gz NCWHGISEOVUPSR-TXEJJXNPSA-N 1 1 306.366 1.775 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[N@@H+](C)CCN1C ZINC000595017607 356372940 /nfs/dbraw/zinc/37/29/40/356372940.db2.gz KSTURMJKVCDXLH-OCCSQVGLSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1C ZINC000595017607 356372941 /nfs/dbraw/zinc/37/29/41/356372941.db2.gz KSTURMJKVCDXLH-OCCSQVGLSA-N 1 1 322.409 1.500 20 5 DDBDMO COC[C@@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370250 356468172 /nfs/dbraw/zinc/46/81/72/356468172.db2.gz FYIHJIZBXWPYNJ-WCQYABFASA-N 1 1 310.354 1.137 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081519134 192279228 /nfs/dbraw/zinc/27/92/28/192279228.db2.gz ZIRMKDXYAXURSF-HIFRSBDPSA-N 1 1 324.377 1.693 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595533116 356537181 /nfs/dbraw/zinc/53/71/81/356537181.db2.gz GSYXBFZDNDVCQP-UHFFFAOYSA-N 1 1 307.350 1.136 20 5 DDBDMO CCCC[C@@H](C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236877140 202048034 /nfs/dbraw/zinc/04/80/34/202048034.db2.gz SUABWTKFUIIPQK-VIFPVBQESA-N 1 1 305.338 1.718 20 5 DDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000595664292 356599452 /nfs/dbraw/zinc/59/94/52/356599452.db2.gz OTJHSWIVHHHBHW-WCQYABFASA-N 1 1 310.306 1.024 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595728989 356624872 /nfs/dbraw/zinc/62/48/72/356624872.db2.gz PGGNRDWJKMDCQK-SMDDNHRTSA-N 1 1 319.361 1.704 20 5 DDBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595851410 356677230 /nfs/dbraw/zinc/67/72/30/356677230.db2.gz SCYNLXNFNMKQAV-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595856996 356679487 /nfs/dbraw/zinc/67/94/87/356679487.db2.gz HERBBDFSXKPMRO-XPKDYRNWSA-N 1 1 324.377 1.285 20 5 DDBDMO CCn1nccc1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000596061738 356757937 /nfs/dbraw/zinc/75/79/37/356757937.db2.gz JJEUTSVOCBNXII-UHFFFAOYSA-N 1 1 306.322 1.815 20 5 DDBDMO NC(=O)c1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000596107400 356774444 /nfs/dbraw/zinc/77/44/44/356774444.db2.gz HYEHKIAMTWLMFE-JTQLQIEISA-N 1 1 315.333 1.801 20 5 DDBDMO CCC[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000596176188 356802821 /nfs/dbraw/zinc/80/28/21/356802821.db2.gz AJURIZSYQMSJPE-GFCCVEGCSA-N 1 1 324.381 1.633 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@@H]1C ZINC000596176408 356803150 /nfs/dbraw/zinc/80/31/50/356803150.db2.gz FVCYCRMVWFQOGI-QWRGUYRKSA-N 1 1 306.366 1.613 20 5 DDBDMO Cc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC000596537186 356910597 /nfs/dbraw/zinc/91/05/97/356910597.db2.gz BYXHGLCNEMUJQK-ZDUSSCGKSA-N 1 1 306.366 1.334 20 5 DDBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597946286 357395416 /nfs/dbraw/zinc/39/54/16/357395416.db2.gz NGJDQWGXGHFURV-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597947445 357395832 /nfs/dbraw/zinc/39/58/32/357395832.db2.gz YKUZYVZJNKPYNH-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000598465675 357593115 /nfs/dbraw/zinc/59/31/15/357593115.db2.gz HTZQVVCRRQHFNU-UHFFFAOYSA-N 1 1 311.386 1.336 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667429 357677266 /nfs/dbraw/zinc/67/72/66/357677266.db2.gz GPPVAZVBJXFPFM-LKFCYVNXSA-N 1 1 307.354 1.224 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598560485 357632870 /nfs/dbraw/zinc/63/28/70/357632870.db2.gz MVKYGGNRTHDTFD-NSHDSACASA-N 1 1 307.354 1.170 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598560485 357632873 /nfs/dbraw/zinc/63/28/73/357632873.db2.gz MVKYGGNRTHDTFD-NSHDSACASA-N 1 1 307.354 1.170 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598560485 357632883 /nfs/dbraw/zinc/63/28/83/357632883.db2.gz MVKYGGNRTHDTFD-NSHDSACASA-N 1 1 307.354 1.170 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598562029 357633615 /nfs/dbraw/zinc/63/36/15/357633615.db2.gz RXHYTUYAFXTHSU-CYBMUJFWSA-N 1 1 321.381 1.030 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667432 357677556 /nfs/dbraw/zinc/67/75/56/357677556.db2.gz GPPVAZVBJXFPFM-YMTOWFKASA-N 1 1 307.354 1.224 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599567294 357976468 /nfs/dbraw/zinc/97/64/68/357976468.db2.gz WKZBSUZOZDLZBM-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599567294 357976472 /nfs/dbraw/zinc/97/64/72/357976472.db2.gz WKZBSUZOZDLZBM-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689902 358027188 /nfs/dbraw/zinc/02/71/88/358027188.db2.gz LLRZMWMUWOUTCZ-DQNOIUNYSA-N 1 1 308.382 1.830 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000600309538 358191794 /nfs/dbraw/zinc/19/17/94/358191794.db2.gz BMYDQAAVCHGWBL-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C)C1 ZINC000601114530 358407086 /nfs/dbraw/zinc/40/70/86/358407086.db2.gz QOZQLONNZWLNTL-SSDOTTSWSA-N 1 1 307.276 1.711 20 5 DDBDMO CN1CCC([N@@H+]2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115796 358408556 /nfs/dbraw/zinc/40/85/56/358408556.db2.gz CGRJFHYSYGVUMG-LBPRGKRZSA-N 1 1 323.372 1.709 20 5 DDBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000601115796 358408561 /nfs/dbraw/zinc/40/85/61/358408561.db2.gz CGRJFHYSYGVUMG-LBPRGKRZSA-N 1 1 323.372 1.709 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601118634 358410292 /nfs/dbraw/zinc/41/02/92/358410292.db2.gz OMKGDSBERXDQOF-UHFFFAOYSA-N 1 1 306.301 1.189 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181088099 199251298 /nfs/dbraw/zinc/25/12/98/199251298.db2.gz FZSSOMMVODAKNJ-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000601971447 358759621 /nfs/dbraw/zinc/75/96/21/358759621.db2.gz BNMNUYMFGBAXHP-TXEJJXNPSA-N 1 1 316.317 1.723 20 5 DDBDMO COCC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000358938005 299286079 /nfs/dbraw/zinc/28/60/79/299286079.db2.gz YRGDLWCGRISOIB-UHFFFAOYSA-N 1 1 319.365 1.235 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602665047 359112436 /nfs/dbraw/zinc/11/24/36/359112436.db2.gz XVQUXWGLSJAHBF-LLVKDONJSA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602665047 359112442 /nfs/dbraw/zinc/11/24/42/359112442.db2.gz XVQUXWGLSJAHBF-LLVKDONJSA-N 1 1 324.381 1.882 20 5 DDBDMO CCN(C#N)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602794250 359196865 /nfs/dbraw/zinc/19/68/65/359196865.db2.gz MXPQUBDBFFMNIN-LBPRGKRZSA-N 1 1 304.354 1.279 20 5 DDBDMO CCN(C#N)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602794250 359196866 /nfs/dbraw/zinc/19/68/66/359196866.db2.gz MXPQUBDBFFMNIN-LBPRGKRZSA-N 1 1 304.354 1.279 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000602813827 359209106 /nfs/dbraw/zinc/20/91/06/359209106.db2.gz ZXYVGOVKTLVXIL-AWEZNQCLSA-N 1 1 308.382 1.991 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831418 359223525 /nfs/dbraw/zinc/22/35/25/359223525.db2.gz XMCZMSJOYGJBJU-GFCCVEGCSA-N 1 1 309.370 1.209 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000603143291 359432625 /nfs/dbraw/zinc/43/26/25/359432625.db2.gz SFFPBBSFUOOGHG-LBPRGKRZSA-N 1 1 322.365 1.498 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCCO)C3CC3)o2)cc1 ZINC000610140424 360386192 /nfs/dbraw/zinc/38/61/92/360386192.db2.gz YTIKNPNXGASROF-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCCO)C3CC3)o2)cc1 ZINC000610140424 360386194 /nfs/dbraw/zinc/38/61/94/360386194.db2.gz YTIKNPNXGASROF-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287915391 219804207 /nfs/dbraw/zinc/80/42/07/219804207.db2.gz ORDVJLSBCQHTSP-UHFFFAOYSA-N 1 1 310.329 1.310 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610900768 360567604 /nfs/dbraw/zinc/56/76/04/360567604.db2.gz KOCOVPYYJXNYGU-NOZJJQNGSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610900768 360567608 /nfs/dbraw/zinc/56/76/08/360567608.db2.gz KOCOVPYYJXNYGU-NOZJJQNGSA-N 1 1 311.313 1.183 20 5 DDBDMO C[N@H+](CCn1cccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271656 360685653 /nfs/dbraw/zinc/68/56/53/360685653.db2.gz IPGOAECHJLOIDI-UHFFFAOYSA-N 1 1 318.333 1.695 20 5 DDBDMO C[N@@H+](CCn1cccn1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271656 360685658 /nfs/dbraw/zinc/68/56/58/360685658.db2.gz IPGOAECHJLOIDI-UHFFFAOYSA-N 1 1 318.333 1.695 20 5 DDBDMO CN(C)C(=O)CC[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413767 360714716 /nfs/dbraw/zinc/71/47/16/360714716.db2.gz SENFAYVLLHQVCO-UHFFFAOYSA-N 1 1 312.395 1.257 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000612059421 360904351 /nfs/dbraw/zinc/90/43/51/360904351.db2.gz RSACOTZNVOHBFT-UONOGXRCSA-N 1 1 324.377 1.693 20 5 DDBDMO C[N@H+](Cc1cn[nH]c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612108172 360921923 /nfs/dbraw/zinc/92/19/23/360921923.db2.gz QKZYCFKIEDMEAN-GFCCVEGCSA-N 1 1 306.322 1.190 20 5 DDBDMO Cc1nn(CCC(=O)NCC2=CC[N@@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000271887855 209297299 /nfs/dbraw/zinc/29/72/99/209297299.db2.gz OCDXBOCHLFZFGB-UHFFFAOYSA-N 1 1 321.381 1.176 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252440 363945640 /nfs/dbraw/zinc/94/56/40/363945640.db2.gz LLOSIYFJQIKRRX-HUUCEWRRSA-N 1 1 321.352 1.782 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ncccc1O)OCCO2 ZINC000619432189 364006164 /nfs/dbraw/zinc/00/61/64/364006164.db2.gz FAMHOKVAYQIYRQ-UHFFFAOYSA-N 1 1 317.301 1.756 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261718796 203101697 /nfs/dbraw/zinc/10/16/97/203101697.db2.gz FARWWXJNYMPSKJ-GFCCVEGCSA-N 1 1 301.306 1.105 20 5 DDBDMO NC(=O)c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000350728557 284250036 /nfs/dbraw/zinc/25/00/36/284250036.db2.gz IUSHZUDGHGIIFI-UHFFFAOYSA-N 1 1 315.333 1.801 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000264593102 204015941 /nfs/dbraw/zinc/01/59/41/204015941.db2.gz LUHWOTJXLCGPDA-GFCCVEGCSA-N 1 1 308.338 1.437 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264662368 204062485 /nfs/dbraw/zinc/06/24/85/204062485.db2.gz DSOKWQDOWXFTCN-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO C[N@@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000264779211 204149207 /nfs/dbraw/zinc/14/92/07/204149207.db2.gz BFKKARQSYNFQIR-UHFFFAOYSA-N 1 1 321.381 1.400 20 5 DDBDMO C[N@@H+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C1CC1 ZINC000264921006 204271059 /nfs/dbraw/zinc/27/10/59/204271059.db2.gz MEKDZVLJXPTXPP-UHFFFAOYSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000266185632 205167042 /nfs/dbraw/zinc/16/70/42/205167042.db2.gz CWNDUMWKTNONQB-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000266185632 205167046 /nfs/dbraw/zinc/16/70/46/205167046.db2.gz CWNDUMWKTNONQB-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O ZINC000159511061 197359900 /nfs/dbraw/zinc/35/99/00/197359900.db2.gz BNGSIJQWKLOQOQ-UWVGGRQHSA-N 1 1 311.338 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000159511061 197359902 /nfs/dbraw/zinc/35/99/02/197359902.db2.gz BNGSIJQWKLOQOQ-UWVGGRQHSA-N 1 1 311.338 1.243 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284931010 218240701 /nfs/dbraw/zinc/24/07/01/218240701.db2.gz JBRVTSIGGDWBEG-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO Cc1c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000106401402 194208133 /nfs/dbraw/zinc/20/81/33/194208133.db2.gz LUAZUSDZCTUXRS-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CCOCC[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000110922149 194369856 /nfs/dbraw/zinc/36/98/56/194369856.db2.gz ICQOFQRHVBNIIQ-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023396 207173288 /nfs/dbraw/zinc/17/32/88/207173288.db2.gz QIGAAVSCRRJLHH-GHMZBOCLSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023396 207173291 /nfs/dbraw/zinc/17/32/91/207173291.db2.gz QIGAAVSCRRJLHH-GHMZBOCLSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000269023396 207173295 /nfs/dbraw/zinc/17/32/95/207173295.db2.gz QIGAAVSCRRJLHH-GHMZBOCLSA-N 1 1 307.354 1.183 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340904200 251267448 /nfs/dbraw/zinc/26/74/48/251267448.db2.gz JAGOJEHLMOKFGU-JQWIXIFHSA-N 1 1 323.349 1.387 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352660394 285205001 /nfs/dbraw/zinc/20/50/01/285205001.db2.gz NUEHBPXFQUBLAS-YPMHNXCESA-N 1 1 307.350 1.687 20 5 DDBDMO CC[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156475794 197116579 /nfs/dbraw/zinc/11/65/79/197116579.db2.gz CEBWWFWTNGKCAO-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156475794 197116581 /nfs/dbraw/zinc/11/65/81/197116581.db2.gz CEBWWFWTNGKCAO-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543172 533237811 /nfs/dbraw/zinc/23/78/11/533237811.db2.gz BDKDARNXQCSYSH-JQWIXIFHSA-N 1 1 320.349 1.358 20 5 DDBDMO CO[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000076346136 406965982 /nfs/dbraw/zinc/96/59/82/406965982.db2.gz JEWYSQHOHHMHJO-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000076346136 406965984 /nfs/dbraw/zinc/96/59/84/406965984.db2.gz JEWYSQHOHHMHJO-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000078623126 407036447 /nfs/dbraw/zinc/03/64/47/407036447.db2.gz KKAGHJPONFSQLC-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000078623126 407036450 /nfs/dbraw/zinc/03/64/50/407036450.db2.gz KKAGHJPONFSQLC-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000124923037 407373908 /nfs/dbraw/zinc/37/39/08/407373908.db2.gz DUJKMJLQPYTLEM-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108784684 407390481 /nfs/dbraw/zinc/39/04/81/407390481.db2.gz GIXPJSDPFCSXGQ-SNVBAGLBSA-N 1 1 307.325 1.948 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000108783240 407390484 /nfs/dbraw/zinc/39/04/84/407390484.db2.gz VIIXPIBSCVRFOU-LBPRGKRZSA-N 1 1 318.377 1.607 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125229424 407382599 /nfs/dbraw/zinc/38/25/99/407382599.db2.gz WCEWVXPVYWNCPV-NSHDSACASA-N 1 1 309.370 1.275 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270980679 407448821 /nfs/dbraw/zinc/44/88/21/407448821.db2.gz XDCLSMQQAWQUCD-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270980679 407448830 /nfs/dbraw/zinc/44/88/30/407448830.db2.gz XDCLSMQQAWQUCD-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540021 407551250 /nfs/dbraw/zinc/55/12/50/407551250.db2.gz PRXSKKMKVQBXKL-DOMZBBRYSA-N 1 1 316.361 1.772 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261685018 407577001 /nfs/dbraw/zinc/57/70/01/407577001.db2.gz MUOBWRBDLVZFLP-SECBINFHSA-N 1 1 317.342 1.012 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152995891 407730193 /nfs/dbraw/zinc/73/01/93/407730193.db2.gz DWWHCTPMIMPWSH-DOMZBBRYSA-N 1 1 321.377 1.793 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000266999183 407710981 /nfs/dbraw/zinc/71/09/81/407710981.db2.gz CCLIRJCGHNPITN-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000266999183 407710986 /nfs/dbraw/zinc/71/09/86/407710986.db2.gz CCLIRJCGHNPITN-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO CC(C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000236682746 407749248 /nfs/dbraw/zinc/74/92/48/407749248.db2.gz SRZUMVHOKHAVCH-KRWDZBQOSA-N 1 1 320.437 1.956 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC000179241496 407762630 /nfs/dbraw/zinc/76/26/30/407762630.db2.gz SXTLWBTXCUOJAA-HNNXBMFYSA-N 1 1 316.361 1.817 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000171750440 407758303 /nfs/dbraw/zinc/75/83/03/407758303.db2.gz SRJIUVTUWHZDJJ-LBPRGKRZSA-N 1 1 306.366 1.736 20 5 DDBDMO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133487305 407852049 /nfs/dbraw/zinc/85/20/49/407852049.db2.gz BTXKYAHKVXEELQ-GJZGRUSLSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1 ZINC000133487305 407852058 /nfs/dbraw/zinc/85/20/58/407852058.db2.gz BTXKYAHKVXEELQ-GJZGRUSLSA-N 1 1 303.362 1.880 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462284 407882564 /nfs/dbraw/zinc/88/25/64/407882564.db2.gz FYIUYGNXLDKTMC-GFCCVEGCSA-N 1 1 321.381 1.344 20 5 DDBDMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462284 407882566 /nfs/dbraw/zinc/88/25/66/407882566.db2.gz FYIUYGNXLDKTMC-GFCCVEGCSA-N 1 1 321.381 1.344 20 5 DDBDMO CCOC(=O)c1ccnc(NC[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000133474364 407847227 /nfs/dbraw/zinc/84/72/27/407847227.db2.gz MLHTZLQPTWIMHC-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268252999 407970459 /nfs/dbraw/zinc/97/04/59/407970459.db2.gz XGELCMDOAKECKZ-ABAIWWIYSA-N 1 1 319.361 1.573 20 5 DDBDMO CNC(=O)NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135221260 407992497 /nfs/dbraw/zinc/99/24/97/407992497.db2.gz PPRNRZJWJTVZIY-UHFFFAOYSA-N 1 1 320.349 1.405 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000245750658 408061766 /nfs/dbraw/zinc/06/17/66/408061766.db2.gz TYMIEASKASKGFI-WCQYABFASA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136205146 408088869 /nfs/dbraw/zinc/08/88/69/408088869.db2.gz FSWAIRMBJUMVTD-TXEJJXNPSA-N 1 1 323.397 1.806 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136205146 408088874 /nfs/dbraw/zinc/08/88/74/408088874.db2.gz FSWAIRMBJUMVTD-TXEJJXNPSA-N 1 1 323.397 1.806 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136205146 408088877 /nfs/dbraw/zinc/08/88/77/408088877.db2.gz FSWAIRMBJUMVTD-TXEJJXNPSA-N 1 1 323.397 1.806 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245916118 408097897 /nfs/dbraw/zinc/09/78/97/408097897.db2.gz NBZYONFCINZDKK-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(O)C1 ZINC000245916118 408097900 /nfs/dbraw/zinc/09/79/00/408097900.db2.gz NBZYONFCINZDKK-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO Cn1cccc1[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175492937 408146599 /nfs/dbraw/zinc/14/65/99/408146599.db2.gz AKJYTKNBPAHZKU-ZFWWWQNUSA-N 1 1 319.365 1.328 20 5 DDBDMO Cc1nnc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000273537725 408237545 /nfs/dbraw/zinc/23/75/45/408237545.db2.gz ABDYNTLGJJHJCY-MRVPVSSYSA-N 1 1 309.351 1.267 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)[C@@H]2CCc3ccccc32)n1 ZINC000176242630 408322415 /nfs/dbraw/zinc/32/24/15/408322415.db2.gz FRUCHYSLPTTYSD-OAHLLOKOSA-N 1 1 316.361 1.773 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccccc3O)CC2)n1 ZINC000176189881 408304501 /nfs/dbraw/zinc/30/45/01/408304501.db2.gz CJDNIGMJXIWVGG-UHFFFAOYSA-N 1 1 317.349 1.319 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000137964310 162129060 /nfs/dbraw/zinc/12/90/60/162129060.db2.gz LAZAYMYRCBHKNE-JTQLQIEISA-N 1 1 313.379 1.362 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000269535078 408345376 /nfs/dbraw/zinc/34/53/76/408345376.db2.gz TUIDMRHWNOCFOX-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209154 408355783 /nfs/dbraw/zinc/35/57/83/408355783.db2.gz IIRBZIFUPCGPBY-TUAOUCFPSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000183209154 408355787 /nfs/dbraw/zinc/35/57/87/408355787.db2.gz IIRBZIFUPCGPBY-TUAOUCFPSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000183208523 408355814 /nfs/dbraw/zinc/35/58/14/408355814.db2.gz DSAWPCPXUKTZTM-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264180453 408392733 /nfs/dbraw/zinc/39/27/33/408392733.db2.gz BARGSEBCKMNCNW-SNVBAGLBSA-N 1 1 304.350 1.843 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000264180449 408393350 /nfs/dbraw/zinc/39/33/50/408393350.db2.gz BARGSEBCKMNCNW-JTQLQIEISA-N 1 1 304.350 1.843 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247229793 408432919 /nfs/dbraw/zinc/43/29/19/408432919.db2.gz CYWCVXRBMAGIBZ-YPMHNXCESA-N 1 1 323.397 1.288 20 5 DDBDMO C[N@@H+](CCNC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270369445 408506889 /nfs/dbraw/zinc/50/68/89/408506889.db2.gz UTUWPYQBOZXGBQ-UHFFFAOYSA-N 1 1 306.366 1.531 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248067803 408531978 /nfs/dbraw/zinc/53/19/78/408531978.db2.gz ZXCFQFNQFWDPJU-GXTWGEPZSA-N 1 1 318.377 1.733 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000265165432 408565160 /nfs/dbraw/zinc/56/51/60/408565160.db2.gz XFXDWDWKFVGANM-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)O ZINC000265165432 408565167 /nfs/dbraw/zinc/56/51/67/408565167.db2.gz XFXDWDWKFVGANM-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470451 408575004 /nfs/dbraw/zinc/57/50/04/408575004.db2.gz VCZWPRXSMCASAO-IUODEOHRSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249599049 408748958 /nfs/dbraw/zinc/74/89/58/408748958.db2.gz XQKFUJGWWZLFAB-UXIGCNINSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857036 408877656 /nfs/dbraw/zinc/87/76/56/408877656.db2.gz IJSILTPKOHRNOT-CJNGLKHVSA-N 1 1 305.378 1.890 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281674573 408907857 /nfs/dbraw/zinc/90/78/57/408907857.db2.gz LWIYKCOUAJRHLT-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000188075900 163040381 /nfs/dbraw/zinc/04/03/81/163040381.db2.gz CYRHYJRXBRIIIZ-JTQLQIEISA-N 1 1 309.391 1.998 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071918 408918521 /nfs/dbraw/zinc/91/85/21/408918521.db2.gz RWIARSIEYIOKTP-HIFRSBDPSA-N 1 1 305.378 1.890 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000194707743 163294601 /nfs/dbraw/zinc/29/46/01/163294601.db2.gz SWJZDQUOEWHQFA-JTQLQIEISA-N 1 1 303.322 1.295 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078773 408975683 /nfs/dbraw/zinc/97/56/83/408975683.db2.gz FLJCKMZLTQYALI-JKSUJKDBSA-N 1 1 305.378 1.656 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000292510043 409033906 /nfs/dbraw/zinc/03/39/06/409033906.db2.gz YAZAOFINFHRENX-GFCCVEGCSA-N 1 1 321.381 1.124 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000287583671 409059599 /nfs/dbraw/zinc/05/95/99/409059599.db2.gz XPIZZJGOMZSJCN-UHFFFAOYSA-N 1 1 310.373 1.808 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293348107 409095172 /nfs/dbraw/zinc/09/51/72/409095172.db2.gz JVKUNBLDPVIUAQ-CABZTGNLSA-N 1 1 315.333 1.295 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278916329 409112517 /nfs/dbraw/zinc/11/25/17/409112517.db2.gz QYMXWAANRKGXTH-OAHLLOKOSA-N 1 1 305.334 1.186 20 5 DDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1=CC[N@@H+](C)CC1 ZINC000283246640 409120931 /nfs/dbraw/zinc/12/09/31/409120931.db2.gz UJYXDYAEQRZHCZ-VIFPVBQESA-N 1 1 322.340 1.696 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC)CC2)c1 ZINC000283694249 409198042 /nfs/dbraw/zinc/19/80/42/409198042.db2.gz WDZXRGVNBDVKRB-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280301325 409287521 /nfs/dbraw/zinc/28/75/21/409287521.db2.gz FTKIORFUJPQEIM-DAXOMENPSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280301325 409287523 /nfs/dbraw/zinc/28/75/23/409287523.db2.gz FTKIORFUJPQEIM-DAXOMENPSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000284195880 409293924 /nfs/dbraw/zinc/29/39/24/409293924.db2.gz ZFXGDLQTEGTKKE-UWVGGRQHSA-N 1 1 324.356 1.871 20 5 DDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290189642 409316466 /nfs/dbraw/zinc/31/64/66/409316466.db2.gz WGHIJDQWIGMZKQ-UHFFFAOYSA-N 1 1 316.321 1.672 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)CO ZINC000295321183 409432483 /nfs/dbraw/zinc/43/24/83/409432483.db2.gz WKIJBHZGPVDVNL-LLVKDONJSA-N 1 1 309.366 1.872 20 5 DDBDMO COCCCNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285467484 409457146 /nfs/dbraw/zinc/45/71/46/409457146.db2.gz ZWSUCOYXIYZBJP-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO COCCCNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285467484 409457150 /nfs/dbraw/zinc/45/71/50/409457150.db2.gz ZWSUCOYXIYZBJP-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CC(C)(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000407986613 164189299 /nfs/dbraw/zinc/18/92/99/164189299.db2.gz MNFBCDKIQIMNTC-LBPRGKRZSA-N 1 1 321.381 1.223 20 5 DDBDMO CC(C)(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000407986613 164189301 /nfs/dbraw/zinc/18/93/01/164189301.db2.gz MNFBCDKIQIMNTC-LBPRGKRZSA-N 1 1 321.381 1.223 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357038013 409810304 /nfs/dbraw/zinc/81/03/04/409810304.db2.gz MXMJGVPQAQTVDH-QWRGUYRKSA-N 1 1 307.354 1.027 20 5 DDBDMO Cc1cnn(CC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000332083935 409862356 /nfs/dbraw/zinc/86/23/56/409862356.db2.gz CHIOENQGKTYTRV-UHFFFAOYSA-N 1 1 318.381 1.745 20 5 DDBDMO CNc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000317348116 409866270 /nfs/dbraw/zinc/86/62/70/409866270.db2.gz DUGCRXKJKYENGM-LBPRGKRZSA-N 1 1 306.366 1.803 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000318063390 409872849 /nfs/dbraw/zinc/87/28/49/409872849.db2.gz ZTCVIGJRRDXHCO-ZIAGYGMSSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332215411 409986148 /nfs/dbraw/zinc/98/61/48/409986148.db2.gz WPRQSTJYAHDYLW-ISVAXAHUSA-N 1 1 303.322 1.085 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332245576 410009781 /nfs/dbraw/zinc/00/97/81/410009781.db2.gz APVRWNNOKCWLFY-LBPRGKRZSA-N 1 1 316.361 1.712 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000332245576 410009786 /nfs/dbraw/zinc/00/97/86/410009786.db2.gz APVRWNNOKCWLFY-LBPRGKRZSA-N 1 1 316.361 1.712 20 5 DDBDMO COc1cc(CN2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000346631769 410047378 /nfs/dbraw/zinc/04/73/78/410047378.db2.gz DGLFEQCGJFKVHB-ZDUSSCGKSA-N 1 1 323.393 1.492 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357553298 410099766 /nfs/dbraw/zinc/09/97/66/410099766.db2.gz UCIKKZUYVMHIBQ-JTQLQIEISA-N 1 1 307.354 1.375 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110957 410154129 /nfs/dbraw/zinc/15/41/29/410154129.db2.gz YVGJCOIKKMOVCK-NHYWBVRUSA-N 1 1 319.361 1.382 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079975 410513221 /nfs/dbraw/zinc/51/32/21/410513221.db2.gz HAPSXFFRIPEXDP-MNOVXSKESA-N 1 1 321.381 1.621 20 5 DDBDMO Cc1c(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358605128 410493615 /nfs/dbraw/zinc/49/36/15/410493615.db2.gz HULYAEWPPNNNLH-ZDUSSCGKSA-N 1 1 318.377 1.939 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000359519366 410705868 /nfs/dbraw/zinc/70/58/68/410705868.db2.gz GUBCRNOIFFYRRX-LBPRGKRZSA-N 1 1 312.276 1.393 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000337312548 410707085 /nfs/dbraw/zinc/70/70/85/410707085.db2.gz FHQDILMKJFQVRS-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CS[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330460759 410709039 /nfs/dbraw/zinc/70/90/39/410709039.db2.gz VZQMDXVCVOLYNS-UONOGXRCSA-N 1 1 311.407 1.778 20 5 DDBDMO Cc1ccn(CCC[NH+]2CCN(C(C)C)CC2)c(=O)c1[N+](=O)[O-] ZINC000347707687 410680933 /nfs/dbraw/zinc/68/09/33/410680933.db2.gz YASYOBDYHSNRQW-UHFFFAOYSA-N 1 1 322.409 1.481 20 5 DDBDMO Cc1cnn(C)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347848893 410756425 /nfs/dbraw/zinc/75/64/25/410756425.db2.gz JKDHCJZEVWWJBY-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO CC(C)(CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCOCC1 ZINC000301847056 410812721 /nfs/dbraw/zinc/81/27/21/410812721.db2.gz UQALJPAHTZUQJD-UHFFFAOYSA-N 1 1 320.353 1.160 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599615 410813898 /nfs/dbraw/zinc/81/38/98/410813898.db2.gz ULMZLCIZBONOSL-RYUDHWBXSA-N 1 1 307.350 1.525 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000353175783 410828818 /nfs/dbraw/zinc/82/88/18/410828818.db2.gz YOZLGXIDXXKJTJ-NSHDSACASA-N 1 1 309.370 1.209 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000353175783 410828825 /nfs/dbraw/zinc/82/88/25/410828825.db2.gz YOZLGXIDXXKJTJ-NSHDSACASA-N 1 1 309.370 1.209 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353474768 411013935 /nfs/dbraw/zinc/01/39/35/411013935.db2.gz WIYNFRRKQXMRKW-ZDUSSCGKSA-N 1 1 310.350 1.181 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085596 410945719 /nfs/dbraw/zinc/94/57/19/410945719.db2.gz SLPDWASCHPXQQN-NILFDRSVSA-N 1 1 319.361 1.260 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000360156108 411079404 /nfs/dbraw/zinc/07/94/04/411079404.db2.gz BVCSHDIJRRYYPE-UHFFFAOYSA-N 1 1 315.333 1.534 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nnc(N)cc2C1 ZINC000360156108 411079410 /nfs/dbraw/zinc/07/94/10/411079410.db2.gz BVCSHDIJRRYYPE-UHFFFAOYSA-N 1 1 315.333 1.534 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356444450 411033292 /nfs/dbraw/zinc/03/32/92/411033292.db2.gz IAEYKMDTXCHADH-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@H](CO)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499267 411033298 /nfs/dbraw/zinc/03/32/98/411033298.db2.gz CSPAYDOANSEHGE-FZMZJTMJSA-N 1 1 304.350 1.636 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129574803 196058471 /nfs/dbraw/zinc/05/84/71/196058471.db2.gz BPRXYBZLLXHNCM-AWEZNQCLSA-N 1 1 305.378 1.749 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129574803 196058473 /nfs/dbraw/zinc/05/84/73/196058473.db2.gz BPRXYBZLLXHNCM-AWEZNQCLSA-N 1 1 305.378 1.749 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000416994085 225151907 /nfs/dbraw/zinc/15/19/07/225151907.db2.gz JIJLEUREDYTDBI-NWDGAFQWSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000416994085 225151912 /nfs/dbraw/zinc/15/19/12/225151912.db2.gz JIJLEUREDYTDBI-NWDGAFQWSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000419331832 226121191 /nfs/dbraw/zinc/12/11/91/226121191.db2.gz RXEGQPRARFJCJK-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO NC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000361261200 299829462 /nfs/dbraw/zinc/82/94/62/299829462.db2.gz PVEOWJBFPJCCCK-UHFFFAOYSA-N 1 1 317.349 1.749 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000366177689 418438200 /nfs/dbraw/zinc/43/82/00/418438200.db2.gz DWVDFYONYSEMGK-OAHLLOKOSA-N 1 1 319.361 1.593 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000366177689 418438201 /nfs/dbraw/zinc/43/82/01/418438201.db2.gz DWVDFYONYSEMGK-OAHLLOKOSA-N 1 1 319.361 1.593 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000192568238 418524133 /nfs/dbraw/zinc/52/41/33/418524133.db2.gz GWUPJDYTQFRAKD-GHMZBOCLSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000192568238 418524135 /nfs/dbraw/zinc/52/41/35/418524135.db2.gz GWUPJDYTQFRAKD-GHMZBOCLSA-N 1 1 311.386 1.011 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CCO1 ZINC000367064702 418557317 /nfs/dbraw/zinc/55/73/17/418557317.db2.gz COGFSDCZGRDMTK-LBPRGKRZSA-N 1 1 320.393 1.867 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)n1 ZINC000191830421 222109777 /nfs/dbraw/zinc/10/97/77/222109777.db2.gz WQTYDVDRZAXOKV-NSHDSACASA-N 1 1 309.370 1.225 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290507287 418576846 /nfs/dbraw/zinc/57/68/46/418576846.db2.gz LGIHTFAFNWQDHY-JTQLQIEISA-N 1 1 307.354 1.375 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375028370 418589881 /nfs/dbraw/zinc/58/98/81/418589881.db2.gz CJZVNEMITLNGDK-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361403214 418646028 /nfs/dbraw/zinc/64/60/28/418646028.db2.gz NFYCZFSURSATDG-TZMCWYRMSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392283 418633302 /nfs/dbraw/zinc/63/33/02/418633302.db2.gz NNEFQRNJVKMRKE-NEPJUHHUSA-N 1 1 323.397 1.731 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392283 418633304 /nfs/dbraw/zinc/63/33/04/418633304.db2.gz NNEFQRNJVKMRKE-NEPJUHHUSA-N 1 1 323.397 1.731 20 5 DDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCCN3CCOCC3)C2)c1 ZINC000375404194 418636283 /nfs/dbraw/zinc/63/62/83/418636283.db2.gz NPRMPOYEFKFXGN-AWEZNQCLSA-N 1 1 323.397 1.151 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368230638 418707377 /nfs/dbraw/zinc/70/73/77/418707377.db2.gz DYQZQBXUCHKQSW-OCCSQVGLSA-N 1 1 319.361 1.561 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000368269712 418712945 /nfs/dbraw/zinc/71/29/45/418712945.db2.gz NADPGSWZQSMRDC-LSDHHAIUSA-N 1 1 302.334 1.772 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904684 418737935 /nfs/dbraw/zinc/73/79/35/418737935.db2.gz PRYPEQPVFFEBJJ-WCQYABFASA-N 1 1 307.350 1.626 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904684 418737936 /nfs/dbraw/zinc/73/79/36/418737936.db2.gz PRYPEQPVFFEBJJ-WCQYABFASA-N 1 1 307.350 1.626 20 5 DDBDMO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411148812 418873635 /nfs/dbraw/zinc/87/36/35/418873635.db2.gz TVARLSWCJWNFGB-UHFFFAOYSA-N 1 1 308.338 1.119 20 5 DDBDMO CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913826 419365530 /nfs/dbraw/zinc/36/55/30/419365530.db2.gz GPXRHUQXQLSGAW-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913826 419365535 /nfs/dbraw/zinc/36/55/35/419365535.db2.gz GPXRHUQXQLSGAW-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1c(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000418084728 419519658 /nfs/dbraw/zinc/51/96/58/419519658.db2.gz WAYWPJJVKGSNNL-OAHLLOKOSA-N 1 1 324.356 1.746 20 5 DDBDMO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418106334 419534622 /nfs/dbraw/zinc/53/46/22/419534622.db2.gz CDQSITYMUYCZLW-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000412082292 419632132 /nfs/dbraw/zinc/63/21/32/419632132.db2.gz OZFJOAQHYKSYLW-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000412066698 419614647 /nfs/dbraw/zinc/61/46/47/419614647.db2.gz FTCPKZCENYKQAL-GFCCVEGCSA-N 1 1 310.375 1.933 20 5 DDBDMO COc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000421709845 419694902 /nfs/dbraw/zinc/69/49/02/419694902.db2.gz HKVLXAYGWAEIJC-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCNC1 ZINC000414866946 419850125 /nfs/dbraw/zinc/85/01/25/419850125.db2.gz NMYSGJYNAAXFHI-DGCLKSJQSA-N 1 1 306.366 1.654 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCO)C3CCOCC3)nc2c1 ZINC000444691498 230121803 /nfs/dbraw/zinc/12/18/03/230121803.db2.gz ZNMRPCNRJFYFFX-UHFFFAOYSA-N 1 1 320.349 1.444 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000425551742 420414974 /nfs/dbraw/zinc/41/49/74/420414974.db2.gz QUIDNAVPNSTFFG-VIFPVBQESA-N 1 1 321.312 1.850 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000425551742 420414977 /nfs/dbraw/zinc/41/49/77/420414977.db2.gz QUIDNAVPNSTFFG-VIFPVBQESA-N 1 1 321.312 1.850 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550239 420416480 /nfs/dbraw/zinc/41/64/80/420416480.db2.gz OTZBVBMXRYQWNI-SNVBAGLBSA-N 1 1 303.322 1.711 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459682947 420846055 /nfs/dbraw/zinc/84/60/55/420846055.db2.gz FJPRSIVYNTUKFQ-JSGCOSHPSA-N 1 1 310.350 1.167 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459682947 420846058 /nfs/dbraw/zinc/84/60/58/420846058.db2.gz FJPRSIVYNTUKFQ-JSGCOSHPSA-N 1 1 310.350 1.167 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459531592 420836188 /nfs/dbraw/zinc/83/61/88/420836188.db2.gz QQKQLROFQGJROF-BPNCWPANSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459531592 420836189 /nfs/dbraw/zinc/83/61/89/420836189.db2.gz QQKQLROFQGJROF-BPNCWPANSA-N 1 1 305.334 1.245 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455363201 421003026 /nfs/dbraw/zinc/00/30/26/421003026.db2.gz WXSMNQILTLCFPQ-JTQLQIEISA-N 1 1 309.370 1.492 20 5 DDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456208435 421119860 /nfs/dbraw/zinc/11/98/60/421119860.db2.gz IJWAWHDFDWVTBA-AOOOYVTPSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456208435 421119863 /nfs/dbraw/zinc/11/98/63/421119863.db2.gz IJWAWHDFDWVTBA-AOOOYVTPSA-N 1 1 313.379 1.183 20 5 DDBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000496156008 421140860 /nfs/dbraw/zinc/14/08/60/421140860.db2.gz DKJBFBHYSNLWTA-JTQLQIEISA-N 1 1 311.363 1.930 20 5 DDBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000496156008 421140863 /nfs/dbraw/zinc/14/08/63/421140863.db2.gz DKJBFBHYSNLWTA-JTQLQIEISA-N 1 1 311.363 1.930 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000522811421 421225447 /nfs/dbraw/zinc/22/54/47/421225447.db2.gz PHXVLNXYJGYXJP-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000560975079 421300562 /nfs/dbraw/zinc/30/05/62/421300562.db2.gz HLYCAGVNMRDIJF-TUAOUCFPSA-N 1 1 321.381 1.795 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000561192800 421310913 /nfs/dbraw/zinc/31/09/13/421310913.db2.gz WBOGBBWMBUAKAD-JTQLQIEISA-N 1 1 317.349 1.997 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386068 421431571 /nfs/dbraw/zinc/43/15/71/421431571.db2.gz YGYPHONTTFSNJH-QWRGUYRKSA-N 1 1 321.381 1.422 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649902 421442417 /nfs/dbraw/zinc/44/24/17/421442417.db2.gz OCLZXUWIPLSZRH-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649902 421442420 /nfs/dbraw/zinc/44/24/20/421442420.db2.gz OCLZXUWIPLSZRH-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649902 421442422 /nfs/dbraw/zinc/44/24/22/421442422.db2.gz OCLZXUWIPLSZRH-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418844 421506677 /nfs/dbraw/zinc/50/66/77/421506677.db2.gz QINQVXDWMRYTBR-DOMZBBRYSA-N 1 1 304.394 1.418 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418844 421506681 /nfs/dbraw/zinc/50/66/81/421506681.db2.gz QINQVXDWMRYTBR-DOMZBBRYSA-N 1 1 304.394 1.418 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000549744258 421506716 /nfs/dbraw/zinc/50/67/16/421506716.db2.gz QLIJVNNCTLDAFB-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000557919932 421794632 /nfs/dbraw/zinc/79/46/32/421794632.db2.gz KDRTVCNRCTYFNG-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000597605243 422388728 /nfs/dbraw/zinc/38/87/28/422388728.db2.gz OTQWARRXCOUBTG-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343596264 271812371 /nfs/dbraw/zinc/81/23/71/271812371.db2.gz GVJTXWZAQRMWTG-CMPLNLGQSA-N 1 1 306.366 1.849 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344673730 272086447 /nfs/dbraw/zinc/08/64/47/272086447.db2.gz MPZMOHGNPARIKT-SNVBAGLBSA-N 1 1 309.370 1.477 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345933145 272369738 /nfs/dbraw/zinc/36/97/38/272369738.db2.gz AJOUXZLKUHILBL-NWDGAFQWSA-N 1 1 309.370 1.123 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345971488 272379634 /nfs/dbraw/zinc/37/96/34/272379634.db2.gz VEPSMEUYDGFAGB-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO CC(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O ZINC000284157728 273500941 /nfs/dbraw/zinc/50/09/41/273500941.db2.gz PYJFASLTYIPVOB-NSHDSACASA-N 1 1 310.310 1.493 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273386961 274023052 /nfs/dbraw/zinc/02/30/52/274023052.db2.gz JHEZJEXCIDBCON-UHFFFAOYSA-N 1 1 314.317 1.434 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccccc1 ZINC000285492490 277136844 /nfs/dbraw/zinc/13/68/44/277136844.db2.gz AMVVQRPHEXNCQG-BXUZGUMPSA-N 1 1 315.333 1.493 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000290814671 279398369 /nfs/dbraw/zinc/39/83/69/279398369.db2.gz RQZRQIRZHWGZRH-CMPLNLGQSA-N 1 1 321.381 1.255 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000357911255 299018251 /nfs/dbraw/zinc/01/82/51/299018251.db2.gz ROWSDEGPZZIVCY-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362577657 300100883 /nfs/dbraw/zinc/10/08/83/300100883.db2.gz QKJFGHDHQJHFNO-CZUORRHYSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362577657 300100884 /nfs/dbraw/zinc/10/08/84/300100884.db2.gz QKJFGHDHQJHFNO-CZUORRHYSA-N 1 1 322.361 1.445 20 5 DDBDMO Cn1nccc1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000363327063 300251820 /nfs/dbraw/zinc/25/18/20/300251820.db2.gz IZAHKWPCXLDNTJ-LBPRGKRZSA-N 1 1 304.354 1.404 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@@H]21 ZINC000364307977 300373132 /nfs/dbraw/zinc/37/31/32/300373132.db2.gz NTTLXUNWYNSWHL-YGRLFVJLSA-N 1 1 304.350 1.343 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364454397 300399502 /nfs/dbraw/zinc/39/95/02/300399502.db2.gz KPTBXFIEPGQNKN-HRCADAONSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000364454397 300399505 /nfs/dbraw/zinc/39/95/05/300399505.db2.gz KPTBXFIEPGQNKN-HRCADAONSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000364454397 300399506 /nfs/dbraw/zinc/39/95/06/300399506.db2.gz KPTBXFIEPGQNKN-HRCADAONSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370215046 301295891 /nfs/dbraw/zinc/29/58/91/301295891.db2.gz JIUGHIHINDJBTI-OJLVUWQFSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370215046 301295893 /nfs/dbraw/zinc/29/58/93/301295893.db2.gz JIUGHIHINDJBTI-OJLVUWQFSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370215046 301295895 /nfs/dbraw/zinc/29/58/95/301295895.db2.gz JIUGHIHINDJBTI-OJLVUWQFSA-N 1 1 317.389 1.821 20 5 DDBDMO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cn2cc[nH+]c12 ZINC000355441007 306801036 /nfs/dbraw/zinc/80/10/36/306801036.db2.gz RXSNXBZJRJLFMW-UHFFFAOYSA-N 1 1 300.278 1.386 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000532134477 303276204 /nfs/dbraw/zinc/27/62/04/303276204.db2.gz ZCMFMQXNBZBRBK-NEPJUHHUSA-N 1 1 306.366 1.983 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000535282492 303345558 /nfs/dbraw/zinc/34/55/58/303345558.db2.gz ZANVWTRUTSBCJV-CYBMUJFWSA-N 1 1 314.345 1.850 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000535282492 303345559 /nfs/dbraw/zinc/34/55/59/303345559.db2.gz ZANVWTRUTSBCJV-CYBMUJFWSA-N 1 1 314.345 1.850 20 5 DDBDMO CN1CCC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712078 303389475 /nfs/dbraw/zinc/38/94/75/303389475.db2.gz PLRAFLFAFQYICM-AAEUAGOBSA-N 1 1 319.365 1.097 20 5 DDBDMO Cc1c(NC(=O)CC[NH+]2CC(O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000364963429 307054870 /nfs/dbraw/zinc/05/48/70/307054870.db2.gz PJXHPMZUYNTSJD-UHFFFAOYSA-N 1 1 319.361 1.689 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367782058 307104100 /nfs/dbraw/zinc/10/41/00/307104100.db2.gz TWPFKBLEHSRNIE-QQUHWDOBSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367782058 307104101 /nfs/dbraw/zinc/10/41/01/307104101.db2.gz TWPFKBLEHSRNIE-QQUHWDOBSA-N 1 1 305.334 1.092 20 5 DDBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000371154590 307143408 /nfs/dbraw/zinc/14/34/08/307143408.db2.gz DZQKIDQQCCQWDN-HBBFGDNQSA-N 1 1 319.361 1.911 20 5 DDBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000371154590 307143409 /nfs/dbraw/zinc/14/34/09/307143409.db2.gz DZQKIDQQCCQWDN-HBBFGDNQSA-N 1 1 319.361 1.911 20 5 DDBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372737046 307174088 /nfs/dbraw/zinc/17/40/88/307174088.db2.gz CTUOIWSJGGSPOE-ZDUSSCGKSA-N 1 1 304.354 1.670 20 5 DDBDMO CCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567110454 308072028 /nfs/dbraw/zinc/07/20/28/308072028.db2.gz FLERLIYBVIRYFJ-JTQLQIEISA-N 1 1 313.379 1.140 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590767511 483927570 /nfs/dbraw/zinc/92/75/70/483927570.db2.gz ILGYEBQLIKQDOU-ZANVPECISA-N 1 1 323.324 1.519 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820595 521851820 /nfs/dbraw/zinc/85/18/20/521851820.db2.gz VFVWBQRLPQETAJ-HZMBPMFUSA-N 1 1 322.365 1.085 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820595 521851829 /nfs/dbraw/zinc/85/18/29/521851829.db2.gz VFVWBQRLPQETAJ-HZMBPMFUSA-N 1 1 322.365 1.085 20 5 DDBDMO CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000451522227 527763968 /nfs/dbraw/zinc/76/39/68/527763968.db2.gz AWNKHJSKUMDDHU-GXTWGEPZSA-N 1 1 309.366 1.503 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444624992 528935869 /nfs/dbraw/zinc/93/58/69/528935869.db2.gz YKPXEVWHWBEMJG-UHFFFAOYSA-N 1 1 322.365 1.547 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820715697 599084506 /nfs/dbraw/zinc/08/45/06/599084506.db2.gz CQTJEVHWEUTQGW-VIFPVBQESA-N 1 1 318.341 1.066 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122592118 696723622 /nfs/dbraw/zinc/72/36/22/696723622.db2.gz QXUHNIGBYNJVIV-STQMWFEESA-N 1 1 323.397 1.766 20 5 DDBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000122592118 696723623 /nfs/dbraw/zinc/72/36/23/696723623.db2.gz QXUHNIGBYNJVIV-STQMWFEESA-N 1 1 323.397 1.766 20 5 DDBDMO COCCC[N@@H+](CCOC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000068963691 696378939 /nfs/dbraw/zinc/37/89/39/696378939.db2.gz DNUTZIOFAKLQPG-UHFFFAOYSA-N 1 1 322.365 1.887 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748349067 700112063 /nfs/dbraw/zinc/11/20/63/700112063.db2.gz APIAFNCZHNBNRB-VIFPVBQESA-N 1 1 322.321 1.588 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748349067 700112064 /nfs/dbraw/zinc/11/20/64/700112064.db2.gz APIAFNCZHNBNRB-VIFPVBQESA-N 1 1 322.321 1.588 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833268 697372021 /nfs/dbraw/zinc/37/20/21/697372021.db2.gz CHXAMQBXYBFHJC-SECBINFHSA-N 1 1 311.294 1.744 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000172833268 697372023 /nfs/dbraw/zinc/37/20/23/697372023.db2.gz CHXAMQBXYBFHJC-SECBINFHSA-N 1 1 311.294 1.744 20 5 DDBDMO C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776604702 698125840 /nfs/dbraw/zinc/12/58/40/698125840.db2.gz FDFSJJPFMMKITK-GHMZBOCLSA-N 1 1 308.256 1.483 20 5 DDBDMO C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776604702 698125845 /nfs/dbraw/zinc/12/58/45/698125845.db2.gz FDFSJJPFMMKITK-GHMZBOCLSA-N 1 1 308.256 1.483 20 5 DDBDMO COc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1[N+](=O)[O-] ZINC000782000855 698671941 /nfs/dbraw/zinc/67/19/41/698671941.db2.gz WVMOWQMNEDVFOG-UHFFFAOYSA-N 1 1 321.333 1.678 20 5 DDBDMO Nc1c(F)c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801484 699102650 /nfs/dbraw/zinc/10/26/50/699102650.db2.gz RENPUGLXZAKPHK-UWVGGRQHSA-N 1 1 310.329 1.591 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000787237360 699198866 /nfs/dbraw/zinc/19/88/66/699198866.db2.gz FTZVOTUFUCVZTN-GWCFXTLKSA-N 1 1 318.333 1.785 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791052466 699608881 /nfs/dbraw/zinc/60/88/81/699608881.db2.gz OGFTZUOPVWSSPZ-HNNXBMFYSA-N 1 1 307.394 1.486 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000791052466 699608883 /nfs/dbraw/zinc/60/88/83/699608883.db2.gz OGFTZUOPVWSSPZ-HNNXBMFYSA-N 1 1 307.394 1.486 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000753949281 700470610 /nfs/dbraw/zinc/47/06/10/700470610.db2.gz HVXKXYCJZOZDOU-LBPRGKRZSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000753949281 700470611 /nfs/dbraw/zinc/47/06/11/700470611.db2.gz HVXKXYCJZOZDOU-LBPRGKRZSA-N 1 1 308.334 1.861 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](c3nccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000755790931 700584601 /nfs/dbraw/zinc/58/46/01/700584601.db2.gz URMFEBXEPAADFZ-GFCCVEGCSA-N 1 1 304.354 1.589 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000755790931 700584602 /nfs/dbraw/zinc/58/46/02/700584602.db2.gz URMFEBXEPAADFZ-GFCCVEGCSA-N 1 1 304.354 1.589 20 5 DDBDMO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c1 ZINC000756919002 700648672 /nfs/dbraw/zinc/64/86/72/700648672.db2.gz ATTCMINQBRUPKX-UHFFFAOYSA-N 1 1 320.261 1.425 20 5 DDBDMO C/C(=C\C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000762721748 700904932 /nfs/dbraw/zinc/90/49/32/700904932.db2.gz NKJAXMPIXPXARU-ONOODXEBSA-N 1 1 319.361 1.181 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000768845677 701209275 /nfs/dbraw/zinc/20/92/75/701209275.db2.gz MWOLEGWUPHMAAY-ZJUUUORDSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000768845677 701209276 /nfs/dbraw/zinc/20/92/76/701209276.db2.gz MWOLEGWUPHMAAY-ZJUUUORDSA-N 1 1 322.321 1.668 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000804777732 701211950 /nfs/dbraw/zinc/21/19/50/701211950.db2.gz JTROREGUPRYRME-LBPRGKRZSA-N 1 1 306.366 1.781 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839669761 701774943 /nfs/dbraw/zinc/77/49/43/701774943.db2.gz DUIBIMZAIFGEDH-RRFJBIMHSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839669761 701774945 /nfs/dbraw/zinc/77/49/45/701774945.db2.gz DUIBIMZAIFGEDH-RRFJBIMHSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839669761 701774950 /nfs/dbraw/zinc/77/49/50/701774950.db2.gz DUIBIMZAIFGEDH-RRFJBIMHSA-N 1 1 309.410 1.813 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812336877 702160269 /nfs/dbraw/zinc/16/02/69/702160269.db2.gz AJQJSNPCSLCXKY-OLZOCXBDSA-N 1 1 319.361 1.627 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000816950100 702233922 /nfs/dbraw/zinc/23/39/22/702233922.db2.gz LVEWAWGJOSJTTG-YGRLFVJLSA-N 1 1 323.324 1.275 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1Cl ZINC000840965441 702295739 /nfs/dbraw/zinc/29/57/39/702295739.db2.gz HIHTVAJYPCTQMN-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO Cc1nc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000866336479 706676329 /nfs/dbraw/zinc/67/63/29/706676329.db2.gz JXKKZLTYCYYCPA-VIFPVBQESA-N 1 1 307.329 1.924 20 5 DDBDMO Cc1nnc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866336479 706676330 /nfs/dbraw/zinc/67/63/30/706676330.db2.gz JXKKZLTYCYYCPA-VIFPVBQESA-N 1 1 307.329 1.924 20 5 DDBDMO C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365768 702867123 /nfs/dbraw/zinc/86/71/23/702867123.db2.gz RPCIXLZEMSHCPG-QWRGUYRKSA-N 1 1 324.356 1.732 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000852500984 704064354 /nfs/dbraw/zinc/06/43/54/704064354.db2.gz HFWBVBZQQYVKLA-HZPDHXFCSA-N 1 1 306.362 1.865 20 5 DDBDMO O=C1CC[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000821348757 704394805 /nfs/dbraw/zinc/39/48/05/704394805.db2.gz QHLPSZHJAUYQKW-GFCCVEGCSA-N 1 1 305.334 1.422 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@@H+](C)C1 ZINC000855360481 704480975 /nfs/dbraw/zinc/48/09/75/704480975.db2.gz LYIQVGCUCRLZCY-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000874850083 705203267 /nfs/dbraw/zinc/20/32/67/705203267.db2.gz NUJBKPZLAIGDOE-CHWSQXEVSA-N 1 1 304.350 1.486 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000861033845 705353755 /nfs/dbraw/zinc/35/37/55/705353755.db2.gz VJQYAPQCDXCXAE-AWEZNQCLSA-N 1 1 308.334 1.862 20 5 DDBDMO Cc1nn(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863322856 705901650 /nfs/dbraw/zinc/90/16/50/705901650.db2.gz RVKFRQWTGPESIL-KLPPZKSPSA-N 1 1 317.349 1.406 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252911 705960397 /nfs/dbraw/zinc/96/03/97/705960397.db2.gz ALTDZYPUZWNRQK-CMPLNLGQSA-N 1 1 319.365 1.198 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827328343 705976386 /nfs/dbraw/zinc/97/63/86/705976386.db2.gz DWTPPJCEGZMBLM-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000865998977 706589849 /nfs/dbraw/zinc/58/98/49/706589849.db2.gz GKDMNOTVYCJWHU-NSHDSACASA-N 1 1 319.365 1.500 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000880181262 706903342 /nfs/dbraw/zinc/90/33/42/706903342.db2.gz TWWHOPVKYWGBLM-OCCSQVGLSA-N 1 1 308.338 1.209 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000880609105 707039086 /nfs/dbraw/zinc/03/90/86/707039086.db2.gz QJOGTHWXXNENRK-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000880609105 707039090 /nfs/dbraw/zinc/03/90/90/707039090.db2.gz QJOGTHWXXNENRK-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000880609105 707039092 /nfs/dbraw/zinc/03/90/92/707039092.db2.gz QJOGTHWXXNENRK-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000880609105 707039095 /nfs/dbraw/zinc/03/90/95/707039095.db2.gz QJOGTHWXXNENRK-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000872289846 707366786 /nfs/dbraw/zinc/36/67/86/707366786.db2.gz RBJZNMOZGQYFQW-UHFFFAOYSA-N 1 1 319.361 1.466 20 5 DDBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000872289846 707366791 /nfs/dbraw/zinc/36/67/91/707366791.db2.gz RBJZNMOZGQYFQW-UHFFFAOYSA-N 1 1 319.361 1.466 20 5 DDBDMO Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(F)cc1[N+](=O)[O-] ZINC000872757857 707587311 /nfs/dbraw/zinc/58/73/11/707587311.db2.gz MZSGXWMZYRYHFO-NWDGAFQWSA-N 1 1 309.341 1.688 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837178386 707592300 /nfs/dbraw/zinc/59/23/00/707592300.db2.gz ZWYDMHKEGDTTQS-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882765658 707782463 /nfs/dbraw/zinc/78/24/63/707782463.db2.gz GRTQNNJWHCGDGJ-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882765658 707782469 /nfs/dbraw/zinc/78/24/69/707782469.db2.gz GRTQNNJWHCGDGJ-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000883598519 708034678 /nfs/dbraw/zinc/03/46/78/708034678.db2.gz JNDRGSAELUHLSG-ZDUSSCGKSA-N 1 1 306.366 1.797 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219632 708257212 /nfs/dbraw/zinc/25/72/12/708257212.db2.gz MEXGMYHIKGALJH-QWHCGFSZSA-N 1 1 322.365 1.034 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886340010 708745742 /nfs/dbraw/zinc/74/57/42/708745742.db2.gz ABHHQHLSXGYARC-PHIMTYICSA-N 1 1 305.334 1.884 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887924457 709165155 /nfs/dbraw/zinc/16/51/55/709165155.db2.gz LQJLTKJLGMWHBP-WBMJQRKESA-N 1 1 321.352 1.687 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000910291686 709870904 /nfs/dbraw/zinc/87/09/04/709870904.db2.gz DUHQUBQGQZAVEW-LLVKDONJSA-N 1 1 306.366 1.855 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910296676 709874366 /nfs/dbraw/zinc/87/43/66/709874366.db2.gz ODCXGZFXUTUIRD-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928249272 713157344 /nfs/dbraw/zinc/15/73/44/713157344.db2.gz RFGYLYCKLAEGKR-DOMZBBRYSA-N 1 1 318.377 1.162 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000892418665 710434245 /nfs/dbraw/zinc/43/42/45/710434245.db2.gz RZWLIUXWTUALKB-TZMCWYRMSA-N 1 1 304.350 1.440 20 5 DDBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928452605 713203690 /nfs/dbraw/zinc/20/36/90/713203690.db2.gz NFAFISGKRFEFLQ-PWSUYJOCSA-N 1 1 307.350 1.816 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CCC(C)(CO)CC2)c1[N+](=O)[O-] ZINC000893605159 710739292 /nfs/dbraw/zinc/73/92/92/710739292.db2.gz JNOCIUVSIPAKII-UHFFFAOYSA-N 1 1 310.350 1.903 20 5 DDBDMO COc1cc([C@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091853 711029745 /nfs/dbraw/zinc/02/97/45/711029745.db2.gz BMJJVKYGMXKSJU-SWLSCSKDSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([C@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091853 711029747 /nfs/dbraw/zinc/02/97/47/711029747.db2.gz BMJJVKYGMXKSJU-SWLSCSKDSA-N 1 1 322.409 1.500 20 5 DDBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928568934 713232341 /nfs/dbraw/zinc/23/23/41/713232341.db2.gz QHDRWTMDKOWJPY-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000928568934 713232344 /nfs/dbraw/zinc/23/23/44/713232344.db2.gz QHDRWTMDKOWJPY-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000913538941 713249347 /nfs/dbraw/zinc/24/93/47/713249347.db2.gz WTEYIADUBDQRMM-BETUJISGSA-N 1 1 305.334 1.279 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000913538941 713249349 /nfs/dbraw/zinc/24/93/49/713249349.db2.gz WTEYIADUBDQRMM-BETUJISGSA-N 1 1 305.334 1.279 20 5 DDBDMO C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895248269 711465026 /nfs/dbraw/zinc/46/50/26/711465026.db2.gz ZPOXDGLMTYDWIL-SKDRFNHKSA-N 1 1 313.789 1.111 20 5 DDBDMO C[C@H]1[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737533 711590882 /nfs/dbraw/zinc/59/08/82/711590882.db2.gz AZFLAUXCEGRXHF-GXFFZTMASA-N 1 1 318.377 1.992 20 5 DDBDMO CC[C@@H](C[NH+]1CCOCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000895801536 711609466 /nfs/dbraw/zinc/60/94/66/711609466.db2.gz KFKOKOHMORZJHN-NSHDSACASA-N 1 1 319.365 1.994 20 5 DDBDMO C[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905018264 711910691 /nfs/dbraw/zinc/91/06/91/711910691.db2.gz UUKKLEZUXWPALY-UHFFFAOYSA-N 1 1 311.769 1.955 20 5 DDBDMO CC1(C)CC[N@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905680497 712116343 /nfs/dbraw/zinc/11/63/43/712116343.db2.gz XATSKXFJMVAODL-OAHLLOKOSA-N 1 1 307.394 1.950 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000905680497 712116347 /nfs/dbraw/zinc/11/63/47/712116347.db2.gz XATSKXFJMVAODL-OAHLLOKOSA-N 1 1 307.394 1.950 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908123564 712693366 /nfs/dbraw/zinc/69/33/66/712693366.db2.gz CUROJBWGSDJAMX-XJKSGUPXSA-N 1 1 321.377 1.051 20 5 DDBDMO C[N@H+]1CCC[C@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000917605647 713506459 /nfs/dbraw/zinc/50/64/59/713506459.db2.gz IDPRGSNBKIORPI-JTQLQIEISA-N 1 1 304.306 1.506 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000930651589 713887481 /nfs/dbraw/zinc/88/74/81/713887481.db2.gz YVXJTMNOYPWJIS-HUUCEWRRSA-N 1 1 303.362 1.909 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933209229 714537548 /nfs/dbraw/zinc/53/75/48/714537548.db2.gz CYYGTESYEAJATG-CQSZACIVSA-N 1 1 307.350 1.257 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933209229 714537549 /nfs/dbraw/zinc/53/75/49/714537549.db2.gz CYYGTESYEAJATG-CQSZACIVSA-N 1 1 307.350 1.257 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933218346 714539361 /nfs/dbraw/zinc/53/93/61/714539361.db2.gz QVGVFUVUDKIYSE-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933218346 714539365 /nfs/dbraw/zinc/53/93/65/714539365.db2.gz QVGVFUVUDKIYSE-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933997465 714718898 /nfs/dbraw/zinc/71/88/98/714718898.db2.gz WBXNRLIRTQCERK-UHFFFAOYSA-N 1 1 310.373 1.413 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117633 714745919 /nfs/dbraw/zinc/74/59/19/714745919.db2.gz HROOBCPPKROSOL-GJZGRUSLSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117633 714745921 /nfs/dbraw/zinc/74/59/21/714745921.db2.gz HROOBCPPKROSOL-GJZGRUSLSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120302 714747337 /nfs/dbraw/zinc/74/73/37/714747337.db2.gz SXFWWODOEKMBNS-KBPBESRZSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120302 714747339 /nfs/dbraw/zinc/74/73/39/714747339.db2.gz SXFWWODOEKMBNS-KBPBESRZSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131121 714751395 /nfs/dbraw/zinc/75/13/95/714751395.db2.gz KBRRFIBMVMTPOZ-VHDGCEQUSA-N 1 1 310.350 1.444 20 5 DDBDMO CN1C[C@@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)CCC1=O ZINC001167249320 732864016 /nfs/dbraw/zinc/86/40/16/732864016.db2.gz DJQVQLVHPPLQAS-NSHDSACASA-N 1 1 318.377 1.615 20 5 DDBDMO CN1C[C@@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)CCC1=O ZINC001167249320 732864017 /nfs/dbraw/zinc/86/40/17/732864017.db2.gz DJQVQLVHPPLQAS-NSHDSACASA-N 1 1 318.377 1.615 20 5 DDBDMO O=C(NCC[NH2+]Cc1c(F)cccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126931858 742774570 /nfs/dbraw/zinc/77/45/70/742774570.db2.gz CFMCYMPBVOWTJC-PRHODGIISA-N 1 1 315.732 1.350 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001192490996 745795351 /nfs/dbraw/zinc/79/53/51/745795351.db2.gz XTNDZGZBUZBVPO-QWRGUYRKSA-N 1 1 318.333 1.848 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197748166 747257294 /nfs/dbraw/zinc/25/72/94/747257294.db2.gz FUHOXDCGGBAONO-LBPRGKRZSA-N 1 1 322.365 1.367 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000823784947 758361575 /nfs/dbraw/zinc/36/15/75/758361575.db2.gz UIEZYFQHNVDZSL-HZMBPMFUSA-N 1 1 324.356 1.098 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CC1 ZINC001136592419 772031542 /nfs/dbraw/zinc/03/15/42/772031542.db2.gz ZBFNCLICAZPSQF-UHFFFAOYSA-N 1 1 301.734 1.185 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cn1 ZINC001100576556 776320107 /nfs/dbraw/zinc/32/01/07/776320107.db2.gz ILCPWKXLFBECPV-UHFFFAOYSA-N 1 1 323.397 1.274 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001173224866 777059529 /nfs/dbraw/zinc/05/95/29/777059529.db2.gz HLLUUNVAUXLRFI-YOEHRIQHSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC001175890607 777945054 /nfs/dbraw/zinc/94/50/54/777945054.db2.gz GBXKXMRHFTXGFD-JTQLQIEISA-N 1 1 301.306 1.674 20 5 DDBDMO O=C(CN1CCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176095602 778022671 /nfs/dbraw/zinc/02/26/71/778022671.db2.gz FSFBAPXCQHKLLS-UHFFFAOYSA-N 1 1 320.393 1.287 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709986 779154493 /nfs/dbraw/zinc/15/44/93/779154493.db2.gz UAWOKBKEAMLKOV-ZDUSSCGKSA-N 1 1 306.366 1.463 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001119450846 781458119 /nfs/dbraw/zinc/45/81/19/781458119.db2.gz YYYKXEORJGUMPI-CQSZACIVSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001119984890 781709047 /nfs/dbraw/zinc/70/90/47/781709047.db2.gz WZNLULNCDVLPPQ-QWHCGFSZSA-N 1 1 306.366 1.334 20 5 DDBDMO CC(C)[N@H+](C)CC(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001267116565 837381597 /nfs/dbraw/zinc/38/15/97/837381597.db2.gz DMGSMHCZOXLOOP-UHFFFAOYSA-N 1 1 322.409 1.483 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001267116565 837381605 /nfs/dbraw/zinc/38/16/05/837381605.db2.gz DMGSMHCZOXLOOP-UHFFFAOYSA-N 1 1 322.409 1.483 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC001150120264 862100276 /nfs/dbraw/zinc/10/02/76/862100276.db2.gz UWVZJAYITBMNDV-XPTSAGLGSA-N 1 1 304.350 1.511 20 5 DDBDMO CC(C)=C(C)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132446650 850646209 /nfs/dbraw/zinc/64/62/09/850646209.db2.gz DDYYXXRSUBARIB-UHFFFAOYSA-N 1 1 309.370 1.281 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001141747792 860927712 /nfs/dbraw/zinc/92/77/12/860927712.db2.gz IWQQCAPIFBBLQD-MNOVXSKESA-N 1 1 306.322 1.052 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156827368 863372700 /nfs/dbraw/zinc/37/27/00/863372700.db2.gz CCFZCYYAUYSMGK-LBPRGKRZSA-N 1 1 324.356 1.776 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001329416379 863654352 /nfs/dbraw/zinc/65/43/52/863654352.db2.gz LLEKPUMEEMDPAA-TZMCWYRMSA-N 1 1 307.350 1.229 20 5 DDBDMO Cc1cc(-n2cnc(C[NH3+])n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157931783 864277352 /nfs/dbraw/zinc/27/73/52/864277352.db2.gz ZPWOTLJQEZJFAY-UHFFFAOYSA-N 1 1 311.305 1.400 20 5 DDBDMO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c(OC)n2)CC[NH2+]C1 ZINC001159453020 865308323 /nfs/dbraw/zinc/30/83/23/865308323.db2.gz MMKJBAYTEIVSOY-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001332403319 865816682 /nfs/dbraw/zinc/81/66/82/865816682.db2.gz PVVNHMYDBNDLAQ-HZMBPMFUSA-N 1 1 304.350 1.713 20 5 DDBDMO Cc1nc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160721466 866065719 /nfs/dbraw/zinc/06/57/19/866065719.db2.gz YUSPWAUVMWAWBT-TZMCWYRMSA-N 1 1 306.366 1.963 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001325167087 867835027 /nfs/dbraw/zinc/83/50/27/867835027.db2.gz WBZOQVGGGQYCPN-VIFPVBQESA-N 1 1 311.313 1.519 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001325167087 867835032 /nfs/dbraw/zinc/83/50/32/867835032.db2.gz WBZOQVGGGQYCPN-VIFPVBQESA-N 1 1 311.313 1.519 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001335230801 868158130 /nfs/dbraw/zinc/15/81/30/868158130.db2.gz REBSTVOKKFOCFN-ABAIWWIYSA-N 1 1 318.377 1.755 20 5 DDBDMO C[N@@H+](C1CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1)[C@@H]1CCOC1 ZINC001165203976 869426255 /nfs/dbraw/zinc/42/62/55/869426255.db2.gz PEWNZTMFPYQYSC-SECBINFHSA-N 1 1 312.757 1.553 20 5 DDBDMO COc1cc(C)nc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001165205892 869430766 /nfs/dbraw/zinc/43/07/66/869430766.db2.gz XCDCZZDVROYCDE-LLVKDONJSA-N 1 1 322.365 1.216 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001165262516 869476712 /nfs/dbraw/zinc/47/67/12/869476712.db2.gz VTDVYXVCAOTRJM-SNVBAGLBSA-N 1 1 304.354 1.962 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001339264380 870427209 /nfs/dbraw/zinc/42/72/09/870427209.db2.gz KWMAYMIZBVQCHB-LLVKDONJSA-N 1 1 321.333 1.538 20 5 DDBDMO C[C@@H]1C[C@H](O)CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166963206 870427651 /nfs/dbraw/zinc/42/76/51/870427651.db2.gz GFGVMDSKULDBCJ-CBHWHFHUSA-N 1 1 306.366 1.872 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001339265101 870427763 /nfs/dbraw/zinc/42/77/63/870427763.db2.gz OXYCMCCZRVYGIL-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001313286555 871785624 /nfs/dbraw/zinc/78/56/24/871785624.db2.gz LXXSTVFRKHLJQZ-FZMZJTMJSA-N 1 1 322.365 1.022 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230601304 884641234 /nfs/dbraw/zinc/64/12/34/884641234.db2.gz LWLPWVMEGNLOSS-LLVKDONJSA-N 1 1 306.322 1.571 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230601304 884641240 /nfs/dbraw/zinc/64/12/40/884641240.db2.gz LWLPWVMEGNLOSS-LLVKDONJSA-N 1 1 306.322 1.571 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230601304 884641247 /nfs/dbraw/zinc/64/12/47/884641247.db2.gz LWLPWVMEGNLOSS-LLVKDONJSA-N 1 1 306.322 1.571 20 5 DDBDMO [NH3+]C1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC(O)CC1 ZINC001248281159 893585140 /nfs/dbraw/zinc/58/51/40/893585140.db2.gz LWYUUMVIRRBUPC-UHFFFAOYSA-N 1 1 323.284 1.268 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](N3CCOCC3)C1)C2 ZINC001254601427 896524160 /nfs/dbraw/zinc/52/41/60/896524160.db2.gz ZSBKLWOGNIYUIX-SJORKVTESA-N 1 1 317.389 1.469 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248994365 282125227 /nfs/dbraw/zinc/12/52/27/282125227.db2.gz XTJXPORVIIWHPV-ZLDLUXBVSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1ccc(NC(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000272860131 210254897 /nfs/dbraw/zinc/25/48/97/210254897.db2.gz RVXUFATZHAPYTO-UHFFFAOYSA-N 1 1 319.321 1.930 20 5 DDBDMO CCn1nccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278661866 214310046 /nfs/dbraw/zinc/31/00/46/214310046.db2.gz KTGIZNAKOHJLFS-UHFFFAOYSA-N 1 1 300.322 1.977 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209182 529442090 /nfs/dbraw/zinc/44/20/90/529442090.db2.gz APFPIHFKAFOCKW-DOMZBBRYSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072387 231290973 /nfs/dbraw/zinc/29/09/73/231290973.db2.gz WPPMAFWQJZSQIP-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072387 231290975 /nfs/dbraw/zinc/29/09/75/231290975.db2.gz WPPMAFWQJZSQIP-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451155094 529503703 /nfs/dbraw/zinc/50/37/03/529503703.db2.gz ALBPEHQJIQOODX-NSHDSACASA-N 1 1 323.349 1.596 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000452390051 231375111 /nfs/dbraw/zinc/37/51/11/231375111.db2.gz NLVLBCCDCHXJHM-CQSZACIVSA-N 1 1 321.377 1.100 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000614925180 362081895 /nfs/dbraw/zinc/08/18/95/362081895.db2.gz VZFKFDJGOIWRFF-NSHDSACASA-N 1 1 322.287 1.835 20 5 DDBDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000614925180 362081898 /nfs/dbraw/zinc/08/18/98/362081898.db2.gz VZFKFDJGOIWRFF-NSHDSACASA-N 1 1 322.287 1.835 20 5 DDBDMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550317 185302275 /nfs/dbraw/zinc/30/22/75/185302275.db2.gz SVLIWMZTHGHALV-KBPBESRZSA-N 1 1 323.393 1.892 20 5 DDBDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551327 185302962 /nfs/dbraw/zinc/30/29/62/185302962.db2.gz FCFXUGVRJZIKLR-BBRMVZONSA-N 1 1 323.393 1.892 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000090564068 185303752 /nfs/dbraw/zinc/30/37/52/185303752.db2.gz QXRBRMAWLGPDRJ-CQSZACIVSA-N 1 1 308.334 1.467 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000090564068 185303753 /nfs/dbraw/zinc/30/37/53/185303753.db2.gz QXRBRMAWLGPDRJ-CQSZACIVSA-N 1 1 308.334 1.467 20 5 DDBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272773857 210179076 /nfs/dbraw/zinc/17/90/76/210179076.db2.gz XYOUQOCCGWOGKU-JTQLQIEISA-N 1 1 305.338 1.762 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000458170333 530054454 /nfs/dbraw/zinc/05/44/54/530054454.db2.gz PCCWDXMWRRDVLL-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000458219190 530054754 /nfs/dbraw/zinc/05/47/54/530054754.db2.gz OTLWCQQERAHNFD-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)C1 ZINC000292819015 530059965 /nfs/dbraw/zinc/05/99/65/530059965.db2.gz OTCJIYDFULUHKX-OAHLLOKOSA-N 1 1 319.365 1.011 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000458176619 530060293 /nfs/dbraw/zinc/06/02/93/530060293.db2.gz UONDAZAHOVQLQT-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330923162 232167488 /nfs/dbraw/zinc/16/74/88/232167488.db2.gz SGBLICMNESKOFL-CHWSQXEVSA-N 1 1 320.393 1.630 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000616322134 362636918 /nfs/dbraw/zinc/63/69/18/362636918.db2.gz BVDOLXZZPMUOAH-LBPRGKRZSA-N 1 1 307.350 1.736 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000041951290 352319683 /nfs/dbraw/zinc/31/96/83/352319683.db2.gz OZSNHBNSRHESLX-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@H](C)[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000057703852 352825104 /nfs/dbraw/zinc/82/51/04/352825104.db2.gz XYJMGRRSNZLRFR-JTQLQIEISA-N 1 1 323.397 1.397 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000066812064 353017853 /nfs/dbraw/zinc/01/78/53/353017853.db2.gz SCNGHNNSLNDCBZ-CYBMUJFWSA-N 1 1 321.381 1.344 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711408 353064005 /nfs/dbraw/zinc/06/40/05/353064005.db2.gz FAHRYWYIOOCWBP-LLVKDONJSA-N 1 1 304.350 1.603 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000073786987 353270769 /nfs/dbraw/zinc/27/07/69/353270769.db2.gz UKLBSJLPLOQZBI-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174105007 198292042 /nfs/dbraw/zinc/29/20/42/198292042.db2.gz MAQIPKSCXZQCPZ-AWEZNQCLSA-N 1 1 324.377 1.959 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000074326559 353307116 /nfs/dbraw/zinc/30/71/16/353307116.db2.gz YYKDLXVOEFZACD-GFCCVEGCSA-N 1 1 307.350 1.992 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075712776 353377520 /nfs/dbraw/zinc/37/75/20/353377520.db2.gz UXOFPUZTJBCWPH-LBPRGKRZSA-N 1 1 310.379 1.654 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCc3sccc3C2)c1 ZINC000075718575 353378308 /nfs/dbraw/zinc/37/83/08/353378308.db2.gz ATDQLKUIRBZFFP-CYBMUJFWSA-N 1 1 322.390 1.662 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832657 353381059 /nfs/dbraw/zinc/38/10/59/353381059.db2.gz BCBFAKCRJOUUJT-CQSZACIVSA-N 1 1 324.381 1.187 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)c1 ZINC000080530413 353613780 /nfs/dbraw/zinc/61/37/80/353613780.db2.gz OGAHHXUOGCZODY-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089932303 353784575 /nfs/dbraw/zinc/78/45/75/353784575.db2.gz PFCXZYMTTOADHT-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089932303 353784577 /nfs/dbraw/zinc/78/45/77/353784577.db2.gz PFCXZYMTTOADHT-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142137767 354143303 /nfs/dbraw/zinc/14/33/03/354143303.db2.gz LYCKUTBKOAKPNE-CYBMUJFWSA-N 1 1 319.361 1.914 20 5 DDBDMO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154685910 354207430 /nfs/dbraw/zinc/20/74/30/354207430.db2.gz HTJOYPOEBNDORL-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154685910 354207434 /nfs/dbraw/zinc/20/74/34/354207434.db2.gz HTJOYPOEBNDORL-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000292896207 354452603 /nfs/dbraw/zinc/45/26/03/354452603.db2.gz ACFNPOSTOPGWTI-CYBMUJFWSA-N 1 1 321.377 1.652 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000402689146 354669285 /nfs/dbraw/zinc/66/92/85/354669285.db2.gz KULYZJVUGORGST-UHFFFAOYSA-N 1 1 313.304 1.851 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000585701844 354829360 /nfs/dbraw/zinc/82/93/60/354829360.db2.gz LAGXOURTWFEBQP-UHFFFAOYSA-N 1 1 302.338 1.656 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977180 354953840 /nfs/dbraw/zinc/95/38/40/354953840.db2.gz HCDHIOKFWJTPQJ-NSHDSACASA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977180 354953844 /nfs/dbraw/zinc/95/38/44/354953844.db2.gz HCDHIOKFWJTPQJ-NSHDSACASA-N 1 1 320.349 1.039 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000589499647 354996940 /nfs/dbraw/zinc/99/69/40/354996940.db2.gz ZMKHWPTWADCKBE-LBPRGKRZSA-N 1 1 322.361 1.976 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000590444454 355098364 /nfs/dbraw/zinc/09/83/64/355098364.db2.gz LZJTWHXXBUCMKJ-PELKAZGASA-N 1 1 308.313 1.092 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC000590445620 355098869 /nfs/dbraw/zinc/09/88/69/355098869.db2.gz QZZRWDQHDMEHRP-JOYOIKCWSA-N 1 1 319.317 1.100 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256114 355548483 /nfs/dbraw/zinc/54/84/83/355548483.db2.gz ZJMFTGMECAGLEG-MNOVXSKESA-N 1 1 307.354 1.088 20 5 DDBDMO C[NH+]1CCC2(CC1)CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000592184222 355527587 /nfs/dbraw/zinc/52/75/87/355527587.db2.gz HASHIWZKPDVZEE-UHFFFAOYSA-N 1 1 321.377 1.597 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593109385 355801211 /nfs/dbraw/zinc/80/12/11/355801211.db2.gz IWIBUZYRYAJFKV-PHIMTYICSA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593499002 355904598 /nfs/dbraw/zinc/90/45/98/355904598.db2.gz KPIBXVOZMQALDS-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025432 356093273 /nfs/dbraw/zinc/09/32/73/356093273.db2.gz LFSIHTKIQZFGKR-AEGPPILISA-N 1 1 305.378 1.715 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000594732460 356300652 /nfs/dbraw/zinc/30/06/52/356300652.db2.gz LDWPHHRFYIJBHA-GFCCVEGCSA-N 1 1 317.349 1.308 20 5 DDBDMO Cc1ccc(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000594847194 356336093 /nfs/dbraw/zinc/33/60/93/356336093.db2.gz OTSIMMZMFSYSQL-UHFFFAOYSA-N 1 1 313.379 1.085 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081032557 192217899 /nfs/dbraw/zinc/21/78/99/192217899.db2.gz RWRUBOGLHMBQEY-UHFFFAOYSA-N 1 1 309.322 1.125 20 5 DDBDMO C[N@@H+](Cc1cnccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080980427 192208132 /nfs/dbraw/zinc/20/81/32/192208132.db2.gz KZNMTNDLJXURTH-AWEZNQCLSA-N 1 1 318.333 1.257 20 5 DDBDMO C[N@H+](Cc1cnccn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080980427 192208133 /nfs/dbraw/zinc/20/81/33/192208133.db2.gz KZNMTNDLJXURTH-AWEZNQCLSA-N 1 1 318.333 1.257 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000595005614 356371492 /nfs/dbraw/zinc/37/14/92/356371492.db2.gz BMXKOQXGMWFYJK-MFKMUULPSA-N 1 1 307.350 1.923 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595485258 356512429 /nfs/dbraw/zinc/51/24/29/356512429.db2.gz WWIQJBXZWJOXLD-NSHDSACASA-N 1 1 310.354 1.772 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595447612 356496869 /nfs/dbraw/zinc/49/68/69/356496869.db2.gz OIBVAXJFTXVUDW-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000595575692 356559159 /nfs/dbraw/zinc/55/91/59/356559159.db2.gz WHEGWVPPAIVPTF-CQSZACIVSA-N 1 1 320.393 1.921 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595744274 356632190 /nfs/dbraw/zinc/63/21/90/356632190.db2.gz VHQBGQPZIFARMN-STQMWFEESA-N 1 1 319.361 1.704 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000595727881 356623900 /nfs/dbraw/zinc/62/39/00/356623900.db2.gz FOSQDKMFFULPQU-UHFFFAOYSA-N 1 1 313.741 1.372 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771470 356645740 /nfs/dbraw/zinc/64/57/40/356645740.db2.gz PJEUYFDCULYJAL-UXIGCNINSA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595756852 356638388 /nfs/dbraw/zinc/63/83/88/356638388.db2.gz XXSCJCMIZZNOBZ-WCQYABFASA-N 1 1 300.334 1.224 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836583 356671333 /nfs/dbraw/zinc/67/13/33/356671333.db2.gz WTHODXSOAQQDCG-STQMWFEESA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836583 356671337 /nfs/dbraw/zinc/67/13/37/356671337.db2.gz WTHODXSOAQQDCG-STQMWFEESA-N 1 1 319.361 1.810 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596141635 356788922 /nfs/dbraw/zinc/78/89/22/356788922.db2.gz ILHHAVQUNFXOQX-LBPRGKRZSA-N 1 1 320.393 1.862 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000597669414 357276674 /nfs/dbraw/zinc/27/66/74/357276674.db2.gz SWZDMYLSNMDUGE-CYBMUJFWSA-N 1 1 307.350 1.871 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000597669414 357276675 /nfs/dbraw/zinc/27/66/75/357276675.db2.gz SWZDMYLSNMDUGE-CYBMUJFWSA-N 1 1 307.350 1.871 20 5 DDBDMO COC(=O)c1ccnc(NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000598592794 357645584 /nfs/dbraw/zinc/64/55/84/357645584.db2.gz NFYWTOABGQUJHH-LLVKDONJSA-N 1 1 322.365 1.919 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598592919 357645855 /nfs/dbraw/zinc/64/58/55/357645855.db2.gz NDEAINCJYVNSOB-JTQLQIEISA-N 1 1 310.354 1.919 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000598649095 357670547 /nfs/dbraw/zinc/67/05/47/357670547.db2.gz VLVYQGHSLOKOAF-RISCZKNCSA-N 1 1 322.361 1.832 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599561860 357973907 /nfs/dbraw/zinc/97/39/07/357973907.db2.gz CUBPXRDFHKVQSW-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599561860 357973910 /nfs/dbraw/zinc/97/39/10/357973910.db2.gz CUBPXRDFHKVQSW-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227484 358162416 /nfs/dbraw/zinc/16/24/16/358162416.db2.gz DBHRLEXFSZGEKG-GFCCVEGCSA-N 1 1 321.381 1.763 20 5 DDBDMO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600312040 358192035 /nfs/dbraw/zinc/19/20/35/358192035.db2.gz DNWRNFVOKCRHDD-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600312040 358192039 /nfs/dbraw/zinc/19/20/39/358192039.db2.gz DNWRNFVOKCRHDD-LLVKDONJSA-N 1 1 307.350 1.762 20 5 DDBDMO O=C(NCCC[NH+]1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600890368 358340594 /nfs/dbraw/zinc/34/05/94/358340594.db2.gz FEVFTCHKTQZPEL-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C1CCCN1CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601099063 358401731 /nfs/dbraw/zinc/40/17/31/358401731.db2.gz QQLBHQJASKGRHM-UHFFFAOYSA-N 1 1 314.345 1.989 20 5 DDBDMO O=C1C[C@]2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000601155807 358424523 /nfs/dbraw/zinc/42/45/23/358424523.db2.gz GPWXLBPOHRCSTP-MRXNPFEDSA-N 1 1 312.329 1.859 20 5 DDBDMO CO[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1OC ZINC000601156391 358425821 /nfs/dbraw/zinc/42/58/21/358425821.db2.gz VZAYCADTYAAPDD-GASCZTMLSA-N 1 1 303.318 1.993 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)C3CCOCC3)c2c1 ZINC000601158688 358427068 /nfs/dbraw/zinc/42/70/68/358427068.db2.gz AUHZAMZIQLKVJI-INIZCTEOSA-N 1 1 317.345 1.764 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000601162694 358428046 /nfs/dbraw/zinc/42/80/46/358428046.db2.gz UDRHXBXEAVZRHX-LBPRGKRZSA-N 1 1 324.356 1.678 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971495 358759614 /nfs/dbraw/zinc/75/96/14/358759614.db2.gz CRVRUBOAJZECRE-BETUJISGSA-N 1 1 319.361 1.810 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602662263 359109533 /nfs/dbraw/zinc/10/95/33/359109533.db2.gz NKACZYITYMIHOT-LBPRGKRZSA-N 1 1 309.370 1.067 20 5 DDBDMO CO[C@@]1(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602689585 359127071 /nfs/dbraw/zinc/12/70/71/359127071.db2.gz XXRSPIKHGQWYBM-OAHLLOKOSA-N 1 1 308.334 1.463 20 5 DDBDMO C[C@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602733715 359155448 /nfs/dbraw/zinc/15/54/48/359155448.db2.gz YJQCFZDDWMOBKZ-BETUJISGSA-N 1 1 309.347 1.141 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000602830977 359223911 /nfs/dbraw/zinc/22/39/11/359223911.db2.gz DNDYQFLUYXYZME-CQSZACIVSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000602830977 359223915 /nfs/dbraw/zinc/22/39/15/359223915.db2.gz DNDYQFLUYXYZME-CQSZACIVSA-N 1 1 308.382 1.991 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602952564 359318554 /nfs/dbraw/zinc/31/85/54/359318554.db2.gz NPJYSFWTXFODPX-NEPJUHHUSA-N 1 1 321.381 1.667 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603089674 359395869 /nfs/dbraw/zinc/39/58/69/359395869.db2.gz SGNPGQZTCDIGCQ-IAQYHMDHSA-N 1 1 305.334 1.298 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000186787274 200010173 /nfs/dbraw/zinc/01/01/73/200010173.db2.gz RYCHDWKQRXKZHQ-RISCZKNCSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000186912455 200030504 /nfs/dbraw/zinc/03/05/04/200030504.db2.gz AXUIWIAXEJUMSC-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000186912455 200030506 /nfs/dbraw/zinc/03/05/06/200030506.db2.gz AXUIWIAXEJUMSC-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186939506 200034239 /nfs/dbraw/zinc/03/42/39/200034239.db2.gz HGYMJYAGONHQEE-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603403711 359619247 /nfs/dbraw/zinc/61/92/47/359619247.db2.gz UHKRMGQBMLCXBK-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO CC1(C)[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000603407692 359621208 /nfs/dbraw/zinc/62/12/08/359621208.db2.gz SPOXAQZFCVGVCK-STQMWFEESA-N 1 1 306.366 1.901 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000281062392 216054669 /nfs/dbraw/zinc/05/46/69/216054669.db2.gz KDJQBMTXJZSTDR-HNNXBMFYSA-N 1 1 307.350 1.432 20 5 DDBDMO C[NH+]1CCC(N2CCC(Nc3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000604520404 359760198 /nfs/dbraw/zinc/76/01/98/359760198.db2.gz XSIQTMXWBCKXTI-UHFFFAOYSA-N 1 1 319.409 1.960 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383035 360303548 /nfs/dbraw/zinc/30/35/48/360303548.db2.gz IKNJFHXSHAPXKU-LBPRGKRZSA-N 1 1 319.361 1.818 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000611515354 360743320 /nfs/dbraw/zinc/74/33/20/360743320.db2.gz ORPTWDJLKVCEOV-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1C ZINC000611515354 360743323 /nfs/dbraw/zinc/74/33/23/360743323.db2.gz ORPTWDJLKVCEOV-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898195 363787490 /nfs/dbraw/zinc/78/74/90/363787490.db2.gz ZYFLWGBOGOPOMC-IAQYHMDHSA-N 1 1 320.393 1.590 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194033307 201166811 /nfs/dbraw/zinc/16/68/11/201166811.db2.gz MWAARNMVPSRLOB-AWEZNQCLSA-N 1 1 323.305 1.888 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194033307 201166815 /nfs/dbraw/zinc/16/68/15/201166815.db2.gz MWAARNMVPSRLOB-AWEZNQCLSA-N 1 1 323.305 1.888 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275353033 212285652 /nfs/dbraw/zinc/28/56/52/212285652.db2.gz KDNZTUBVVMWABI-NXEZZACHSA-N 1 1 315.320 1.764 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000275353033 212285655 /nfs/dbraw/zinc/28/56/55/212285655.db2.gz KDNZTUBVVMWABI-NXEZZACHSA-N 1 1 315.320 1.764 20 5 DDBDMO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c[nH+]1 ZINC000264656566 204057830 /nfs/dbraw/zinc/05/78/30/204057830.db2.gz PYCYIZDQCJJVMG-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000264954367 204300904 /nfs/dbraw/zinc/30/09/04/204300904.db2.gz VCLHFWKWQWDHLX-NSHDSACASA-N 1 1 323.397 1.875 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cn1cccn1 ZINC000282557771 217086843 /nfs/dbraw/zinc/08/68/43/217086843.db2.gz YACNZTLJNMTOCI-HNNXBMFYSA-N 1 1 304.350 1.327 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000266185633 205167961 /nfs/dbraw/zinc/16/79/61/205167961.db2.gz CWNDUMWKTNONQB-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000266185633 205167966 /nfs/dbraw/zinc/16/79/66/205167966.db2.gz CWNDUMWKTNONQB-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284669826 218125266 /nfs/dbraw/zinc/12/52/66/218125266.db2.gz GUTZNXJURBHRSG-KBPBESRZSA-N 1 1 307.350 1.400 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106786758 194251509 /nfs/dbraw/zinc/25/15/09/194251509.db2.gz JXKQSIOHIHFUAJ-NSHDSACASA-N 1 1 321.381 1.383 20 5 DDBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+](C)C1CC1 ZINC000057706794 184048348 /nfs/dbraw/zinc/04/83/48/184048348.db2.gz AECBYLULQWFWTM-MRVPVSSYSA-N 1 1 310.329 1.529 20 5 DDBDMO CC[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119921583 195062329 /nfs/dbraw/zinc/06/23/29/195062329.db2.gz RLXQKIRVDXXKGI-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO CC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119921583 195062332 /nfs/dbraw/zinc/06/23/32/195062332.db2.gz RLXQKIRVDXXKGI-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000273000412 210379261 /nfs/dbraw/zinc/37/92/61/210379261.db2.gz REUVRNAYUIJANC-GFCCVEGCSA-N 1 1 303.362 1.904 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000352590970 285161683 /nfs/dbraw/zinc/16/16/83/285161683.db2.gz PPLSADPEGVGDJS-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1CO ZINC000298134939 533138194 /nfs/dbraw/zinc/13/81/94/533138194.db2.gz NVABQJQNCSTDFI-GFCCVEGCSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H](C)O ZINC000156302729 197102867 /nfs/dbraw/zinc/10/28/67/197102867.db2.gz QCNAANTULNRZHO-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569353121 304349775 /nfs/dbraw/zinc/34/97/75/304349775.db2.gz MAZNVGUQHXQKDW-UHFFFAOYSA-N 1 1 319.296 1.419 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000569453294 304355196 /nfs/dbraw/zinc/35/51/96/304355196.db2.gz UVMIDDYHOWZRER-NWANDNLSSA-N 1 1 324.381 1.043 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000266326250 286382754 /nfs/dbraw/zinc/38/27/54/286382754.db2.gz GGUIRBWWCXXQEK-NEPJUHHUSA-N 1 1 309.366 1.495 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054776291 407188524 /nfs/dbraw/zinc/18/85/24/407188524.db2.gz ADDNRASNAMJVOX-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000106865786 407363753 /nfs/dbraw/zinc/36/37/53/407363753.db2.gz GPYKWJJWLXWZFD-NOLJZWGESA-N 1 1 324.377 1.570 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000107894251 407381294 /nfs/dbraw/zinc/38/12/94/407381294.db2.gz BDRMFZCXPUSGFH-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000271010971 407466575 /nfs/dbraw/zinc/46/65/75/407466575.db2.gz ZSXFOQLZQMCTIK-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112924241 407447016 /nfs/dbraw/zinc/44/70/16/407447016.db2.gz SJUBYGVDMPESJT-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128372649 407529217 /nfs/dbraw/zinc/52/92/17/407529217.db2.gz FPJCAMSMRUYDNP-LLVKDONJSA-N 1 1 311.313 1.519 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000266419205 407537768 /nfs/dbraw/zinc/53/77/68/407537768.db2.gz IKDZKBBSJWMWAF-HOCLYGCPSA-N 1 1 316.361 1.772 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000266953172 407690608 /nfs/dbraw/zinc/69/06/08/407690608.db2.gz UXZBTVJOFDYGOH-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000130476153 407692633 /nfs/dbraw/zinc/69/26/33/407692633.db2.gz GBZRXHIMMBEIFF-UHFFFAOYSA-N 1 1 317.349 1.892 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000131985960 407765353 /nfs/dbraw/zinc/76/53/53/407765353.db2.gz DWCSYAKUUCNZGZ-PHIMTYICSA-N 1 1 311.386 1.182 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000131985960 407765359 /nfs/dbraw/zinc/76/53/59/407765359.db2.gz DWCSYAKUUCNZGZ-PHIMTYICSA-N 1 1 311.386 1.182 20 5 DDBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000153985493 407946349 /nfs/dbraw/zinc/94/63/49/407946349.db2.gz INPQNSPQKYHIRA-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000153985493 407946355 /nfs/dbraw/zinc/94/63/55/407946355.db2.gz INPQNSPQKYHIRA-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO CCCCC[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118825508 407949860 /nfs/dbraw/zinc/94/98/60/407949860.db2.gz PIAKUGUMXMEUTN-UHFFFAOYSA-N 1 1 309.366 1.678 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154015022 407952094 /nfs/dbraw/zinc/95/20/94/407952094.db2.gz LSQNYWKGZOECNO-GUTXKFCHSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154015022 407952100 /nfs/dbraw/zinc/95/21/00/407952100.db2.gz LSQNYWKGZOECNO-GUTXKFCHSA-N 1 1 324.377 1.752 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268213360 407952332 /nfs/dbraw/zinc/95/23/32/407952332.db2.gz AZOSRUCRJISFRS-TZMCWYRMSA-N 1 1 320.349 1.972 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000119012320 407975862 /nfs/dbraw/zinc/97/58/62/407975862.db2.gz DQOZWHKLPQQVJN-UHFFFAOYSA-N 1 1 308.382 1.777 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272439934 407923254 /nfs/dbraw/zinc/92/32/54/407923254.db2.gz MIVJWKNXQIGBEQ-UHFFFAOYSA-N 1 1 303.322 1.502 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000189448138 408022225 /nfs/dbraw/zinc/02/22/25/408022225.db2.gz DBEMQWBPMZFMFN-QPJJXVBHSA-N 1 1 319.361 1.447 20 5 DDBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190093415 408161812 /nfs/dbraw/zinc/16/18/12/408161812.db2.gz CZQCZPOLZLBHOQ-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190093415 408161816 /nfs/dbraw/zinc/16/18/16/408161816.db2.gz CZQCZPOLZLBHOQ-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000182472362 408172050 /nfs/dbraw/zinc/17/20/50/408172050.db2.gz AIGNUCMCBSSGLY-BEAPCOKYSA-N 1 1 308.382 1.663 20 5 DDBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000121392909 408200486 /nfs/dbraw/zinc/20/04/86/408200486.db2.gz GUMOVMNPIGCTLS-GFCCVEGCSA-N 1 1 322.365 1.685 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246819003 408348450 /nfs/dbraw/zinc/34/84/50/408348450.db2.gz SIZUWVKBBFPGAA-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000158946487 408371425 /nfs/dbraw/zinc/37/14/25/408371425.db2.gz VFXVVWUATPWWTL-LBPRGKRZSA-N 1 1 317.349 1.221 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173118761 162322581 /nfs/dbraw/zinc/32/25/81/162322581.db2.gz VZKKAUQMUWBCIL-OAHLLOKOSA-N 1 1 305.378 1.936 20 5 DDBDMO C[N@H+](CCN1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177070649 408511861 /nfs/dbraw/zinc/51/18/61/408511861.db2.gz KZQPOSDZACOOMK-UHFFFAOYSA-N 1 1 320.349 1.500 20 5 DDBDMO C[N@@H+](CCN1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177070649 408511866 /nfs/dbraw/zinc/51/18/66/408511866.db2.gz KZQPOSDZACOOMK-UHFFFAOYSA-N 1 1 320.349 1.500 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000248374873 408552939 /nfs/dbraw/zinc/55/29/39/408552939.db2.gz USQXRHZWBVNUCK-UONOGXRCSA-N 1 1 321.377 1.115 20 5 DDBDMO CCc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192497206 408599692 /nfs/dbraw/zinc/59/96/92/408599692.db2.gz NVQNTFUCDVWALF-OKILXGFUSA-N 1 1 303.362 1.791 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCCNc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000265493387 408671586 /nfs/dbraw/zinc/67/15/86/408671586.db2.gz BQBVBTKPGFHGRH-UHFFFAOYSA-N 1 1 318.337 1.562 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192538787 408607607 /nfs/dbraw/zinc/60/76/07/408607607.db2.gz XGTCFEKGEWGOHZ-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249558774 408744002 /nfs/dbraw/zinc/74/40/02/408744002.db2.gz KVSLQAPEGLWDSI-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249558774 408744007 /nfs/dbraw/zinc/74/40/07/408744007.db2.gz KVSLQAPEGLWDSI-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185238064 408785132 /nfs/dbraw/zinc/78/51/32/408785132.db2.gz VSWROTAXWRPQDR-UHFFFAOYSA-N 1 1 313.379 1.310 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000194363763 408778949 /nfs/dbraw/zinc/77/89/49/408778949.db2.gz RRXQJFBHQZREMB-KGLIPLIRSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251477741 408781253 /nfs/dbraw/zinc/78/12/53/408781253.db2.gz CTDNJNKHJHUNAT-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251477741 408781257 /nfs/dbraw/zinc/78/12/57/408781257.db2.gz CTDNJNKHJHUNAT-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO Cc1nc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286175884 408936672 /nfs/dbraw/zinc/93/66/72/408936672.db2.gz ADLRXUBZKVNDQH-YPMHNXCESA-N 1 1 306.366 1.598 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2C[NH+]3CCN2CC3)s1 ZINC000286216571 408943854 /nfs/dbraw/zinc/94/38/54/408943854.db2.gz NFPTWEJHKMKSQH-VIFPVBQESA-N 1 1 320.378 1.011 20 5 DDBDMO COc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286288197 408957244 /nfs/dbraw/zinc/95/72/44/408957244.db2.gz INMOJJBZXSBDOX-GXTWGEPZSA-N 1 1 321.377 1.903 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277860936 409025467 /nfs/dbraw/zinc/02/54/67/409025467.db2.gz UEIBAXCCOCEKLX-GJZGRUSLSA-N 1 1 316.361 1.536 20 5 DDBDMO CC1(C)COCC[N@@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278403342 409080284 /nfs/dbraw/zinc/08/02/84/409080284.db2.gz GXRAGBUDPUEECT-UHFFFAOYSA-N 1 1 319.365 1.994 20 5 DDBDMO CC1(C)COCC[N@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278403342 409080286 /nfs/dbraw/zinc/08/02/86/409080286.db2.gz GXRAGBUDPUEECT-UHFFFAOYSA-N 1 1 319.365 1.994 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000293592312 409144102 /nfs/dbraw/zinc/14/41/02/409144102.db2.gz BETPJGDQDAICFN-INIZCTEOSA-N 1 1 318.377 1.653 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000293658820 409156225 /nfs/dbraw/zinc/15/62/25/409156225.db2.gz HQKKBJHMAXEYDE-OAHLLOKOSA-N 1 1 304.350 1.345 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280497851 409328942 /nfs/dbraw/zinc/32/89/42/409328942.db2.gz BAQXHSBFIMSXJI-HNNXBMFYSA-N 1 1 307.350 1.432 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295626689 409357267 /nfs/dbraw/zinc/35/72/67/409357267.db2.gz FNDFZSDHFYNVLT-NSHDSACASA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295626689 409357270 /nfs/dbraw/zinc/35/72/70/409357270.db2.gz FNDFZSDHFYNVLT-NSHDSACASA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)CO ZINC000295293469 409415901 /nfs/dbraw/zinc/41/59/01/409415901.db2.gz UJFAOYZZPYKVTK-NSHDSACASA-N 1 1 309.366 1.872 20 5 DDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295323746 409434934 /nfs/dbraw/zinc/43/49/34/409434934.db2.gz XAUPUVOBVRTMMU-AWEZNQCLSA-N 1 1 311.313 1.377 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)c1 ZINC000322260397 164045833 /nfs/dbraw/zinc/04/58/33/164045833.db2.gz GXRSQZKKJLMHNF-UHFFFAOYSA-N 1 1 323.349 1.516 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354371978 409802688 /nfs/dbraw/zinc/80/26/88/409802688.db2.gz LCBIOUGEKGJWLR-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357534209 410088468 /nfs/dbraw/zinc/08/84/68/410088468.db2.gz QSAFVXGTPYHUAP-VHSXEESVSA-N 1 1 304.350 1.731 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351822067 410263607 /nfs/dbraw/zinc/26/36/07/410263607.db2.gz VIVZJHOXUKJORL-JTQLQIEISA-N 1 1 315.320 1.371 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351776426 410224237 /nfs/dbraw/zinc/22/42/37/410224237.db2.gz BAXXJDIMACJHPG-GWCFXTLKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000298654287 410330480 /nfs/dbraw/zinc/33/04/80/410330480.db2.gz FRFWSRYFYGJODF-UHFFFAOYSA-N 1 1 322.365 1.179 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343464887 410474806 /nfs/dbraw/zinc/47/48/06/410474806.db2.gz YVUPJVFNUCZCRI-NEPJUHHUSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343744 410484334 /nfs/dbraw/zinc/48/43/34/410484334.db2.gz SSYNBEYMYRCTFS-YGRLFVJLSA-N 1 1 319.321 1.899 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343612232 410570351 /nfs/dbraw/zinc/57/03/51/410570351.db2.gz VNXXGSLPKKRKBI-SMDDNHRTSA-N 1 1 306.366 1.877 20 5 DDBDMO C[N@@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000339974930 410589976 /nfs/dbraw/zinc/58/99/76/410589976.db2.gz FETCZKXPOUJPCO-CYBMUJFWSA-N 1 1 309.391 1.648 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359308991 410596930 /nfs/dbraw/zinc/59/69/30/410596930.db2.gz OSVPQFNWOGKSNK-BETUJISGSA-N 1 1 318.377 1.383 20 5 DDBDMO CC[N@@H+](CCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343689499 410623278 /nfs/dbraw/zinc/62/32/78/410623278.db2.gz QASGIZVWILSDKE-AWEZNQCLSA-N 1 1 307.350 1.404 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301075482 410649723 /nfs/dbraw/zinc/64/97/23/410649723.db2.gz BLLYGSMMXQVQSX-JTQLQIEISA-N 1 1 320.349 1.679 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000301087135 410652549 /nfs/dbraw/zinc/65/25/49/410652549.db2.gz FGKXYKZPYIVPPS-OAHLLOKOSA-N 1 1 321.425 1.982 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000301117292 410658283 /nfs/dbraw/zinc/65/82/83/410658283.db2.gz WWHHFCPAILHPDO-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO CCC(=O)c1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000359564391 410733405 /nfs/dbraw/zinc/73/34/05/410733405.db2.gz KWNWROSKKMKORO-OAHLLOKOSA-N 1 1 307.350 1.666 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000353046451 410755592 /nfs/dbraw/zinc/75/55/92/410755592.db2.gz AROHVGADWQJTLB-LSDHHAIUSA-N 1 1 302.334 1.599 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000356165999 410873911 /nfs/dbraw/zinc/87/39/11/410873911.db2.gz JUQMZPVLIDEFJC-UHFFFAOYSA-N 1 1 323.397 1.713 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000341165065 410909197 /nfs/dbraw/zinc/90/91/97/410909197.db2.gz JKIFTSWBIGPKFM-GFCCVEGCSA-N 1 1 321.381 1.717 20 5 DDBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331137274 410972538 /nfs/dbraw/zinc/97/25/38/410972538.db2.gz SFXPZNAGUUNRKZ-SNVBAGLBSA-N 1 1 309.370 1.065 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189893 411007341 /nfs/dbraw/zinc/00/73/41/411007341.db2.gz ZTTJHIQPUJUPRU-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189893 411007358 /nfs/dbraw/zinc/00/73/58/411007358.db2.gz ZTTJHIQPUJUPRU-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331189893 411007365 /nfs/dbraw/zinc/00/73/65/411007365.db2.gz ZTTJHIQPUJUPRU-NSHDSACASA-N 1 1 323.397 1.854 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](CO)C1 ZINC000348568599 411021149 /nfs/dbraw/zinc/02/11/49/411021149.db2.gz CDHHQECVRZDVKG-NSHDSACASA-N 1 1 321.333 1.207 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000360256301 411114225 /nfs/dbraw/zinc/11/42/25/411114225.db2.gz FKMBFQJJFSNNOS-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000360256301 411114231 /nfs/dbraw/zinc/11/42/31/411114231.db2.gz FKMBFQJJFSNNOS-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417223377 225251352 /nfs/dbraw/zinc/25/13/52/225251352.db2.gz GNAKEGACOAVSOW-HNNXBMFYSA-N 1 1 324.356 1.480 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366332972 418458714 /nfs/dbraw/zinc/45/87/14/418458714.db2.gz PNBADEOIFUWTCF-JLLWLGSASA-N 1 1 303.318 1.250 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366907716 418534701 /nfs/dbraw/zinc/53/47/01/418534701.db2.gz BEPIGPRCFAWMFM-LBPRGKRZSA-N 1 1 311.357 1.622 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCN(C)CC1 ZINC000360892227 418541920 /nfs/dbraw/zinc/54/19/20/418541920.db2.gz BOSQOBWGXSKDNR-UHFFFAOYSA-N 1 1 310.402 1.169 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000189383695 222043723 /nfs/dbraw/zinc/04/37/23/222043723.db2.gz CQDLYYBIXDRMAC-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000189383695 222043727 /nfs/dbraw/zinc/04/37/27/222043727.db2.gz CQDLYYBIXDRMAC-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000195442160 222201966 /nfs/dbraw/zinc/20/19/66/222201966.db2.gz SWXNBUFDDUAHGZ-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291190120 222208353 /nfs/dbraw/zinc/20/83/53/222208353.db2.gz SRLAKKSUEBRMHP-JTQLQIEISA-N 1 1 309.370 1.621 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000375621053 418663323 /nfs/dbraw/zinc/66/33/23/418663323.db2.gz NYLVHJSBMHCKPI-SECBINFHSA-N 1 1 317.342 1.154 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361630094 418693891 /nfs/dbraw/zinc/69/38/91/418693891.db2.gz SILWVMMRZGCPMN-NEPJUHHUSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681241 418893408 /nfs/dbraw/zinc/89/34/08/418893408.db2.gz VYPRJWANGMBASF-JSGCOSHPSA-N 1 1 321.337 1.286 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681241 418893411 /nfs/dbraw/zinc/89/34/11/418893411.db2.gz VYPRJWANGMBASF-JSGCOSHPSA-N 1 1 321.337 1.286 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2nonc21 ZINC000365162520 418841434 /nfs/dbraw/zinc/84/14/34/418841434.db2.gz BEEXRYWHUIQHDL-SNVBAGLBSA-N 1 1 319.321 1.406 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c2nonc21 ZINC000365162520 418841437 /nfs/dbraw/zinc/84/14/37/418841437.db2.gz BEEXRYWHUIQHDL-SNVBAGLBSA-N 1 1 319.321 1.406 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929416 419362295 /nfs/dbraw/zinc/36/22/95/419362295.db2.gz BJNRJJAFFNBGPT-HZSPNIEDSA-N 1 1 324.377 1.285 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000421002937 419442680 /nfs/dbraw/zinc/44/26/80/419442680.db2.gz BYHULHAPJANSOQ-MRVWCRGKSA-N 1 1 310.350 1.180 20 5 DDBDMO COC(=O)[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411910613 419469132 /nfs/dbraw/zinc/46/91/32/419469132.db2.gz SLBXIWUVPZYWHL-GXTWGEPZSA-N 1 1 321.377 1.692 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412063463 419611630 /nfs/dbraw/zinc/61/16/30/419611630.db2.gz BBSACGKTVXDMOM-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412063463 419611636 /nfs/dbraw/zinc/61/16/36/419611636.db2.gz BBSACGKTVXDMOM-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299529278 229184571 /nfs/dbraw/zinc/18/45/71/229184571.db2.gz LJMHPMTVSDYRGR-VHSXEESVSA-N 1 1 309.370 1.477 20 5 DDBDMO CCNC(=O)NC(=O)[C@H](C)[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429254485 419993354 /nfs/dbraw/zinc/99/33/54/419993354.db2.gz FRVSMAHHPJVMSF-JTQLQIEISA-N 1 1 322.365 1.654 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CNCCO2)o1 ZINC000415095186 419939040 /nfs/dbraw/zinc/93/90/40/419939040.db2.gz LRVNQKZYXDLGFH-ZDUSSCGKSA-N 1 1 317.345 1.933 20 5 DDBDMO CC[C@@H]([NH2+]CCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000420393954 420258545 /nfs/dbraw/zinc/25/85/45/420258545.db2.gz CFCOYKMFYXEVST-OAHLLOKOSA-N 1 1 320.393 1.457 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000420804828 420398133 /nfs/dbraw/zinc/39/81/33/420398133.db2.gz ACLCDAYYTZZNJT-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)C1CCC1 ZINC000439273819 420505227 /nfs/dbraw/zinc/50/52/27/420505227.db2.gz MVAMDVSXEQJXGL-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)C1CCC1 ZINC000439273819 420505229 /nfs/dbraw/zinc/50/52/29/420505229.db2.gz MVAMDVSXEQJXGL-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492384912 420540808 /nfs/dbraw/zinc/54/08/08/420540808.db2.gz HBKMBITUWLKJSG-AATRIKPKSA-N 1 1 301.346 1.986 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450959209 420571470 /nfs/dbraw/zinc/57/14/70/420571470.db2.gz XTZNQWDTXQNFGK-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000450959209 420571474 /nfs/dbraw/zinc/57/14/74/420571474.db2.gz XTZNQWDTXQNFGK-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO COc1c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000452985396 420695258 /nfs/dbraw/zinc/69/52/58/420695258.db2.gz HUKKOUKKBIKCMM-GXFFZTMASA-N 1 1 305.334 1.380 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443065776 420742042 /nfs/dbraw/zinc/74/20/42/420742042.db2.gz CRPMLZFNSRDGPR-OLZOCXBDSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC[NH3+])C1 ZINC000443078021 420743309 /nfs/dbraw/zinc/74/33/09/420743309.db2.gz VVVDAVACYRRMRL-OLZOCXBDSA-N 1 1 320.393 1.983 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459682945 420844661 /nfs/dbraw/zinc/84/46/61/420844661.db2.gz FJPRSIVYNTUKFQ-GXTWGEPZSA-N 1 1 310.350 1.167 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459682945 420844668 /nfs/dbraw/zinc/84/46/68/420844668.db2.gz FJPRSIVYNTUKFQ-GXTWGEPZSA-N 1 1 310.350 1.167 20 5 DDBDMO Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000447604755 420785364 /nfs/dbraw/zinc/78/53/64/420785364.db2.gz CTRCRBOHDFFANU-NEPJUHHUSA-N 1 1 319.369 1.534 20 5 DDBDMO Cc1nnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000447604755 420785367 /nfs/dbraw/zinc/78/53/67/420785367.db2.gz CTRCRBOHDFFANU-NEPJUHHUSA-N 1 1 319.369 1.534 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487494258 421031750 /nfs/dbraw/zinc/03/17/50/421031750.db2.gz DDJFZZMCEULKSW-GXSJLCMTSA-N 1 1 317.349 1.285 20 5 DDBDMO CCOc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000456173580 421113498 /nfs/dbraw/zinc/11/34/98/421113498.db2.gz ULUQZDFVRBNBFH-GXTWGEPZSA-N 1 1 319.361 1.770 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000488018707 421063353 /nfs/dbraw/zinc/06/33/53/421063353.db2.gz UHGOGQASTJXRFN-OKILXGFUSA-N 1 1 323.349 1.269 20 5 DDBDMO Cc1nc(N2CCC(Cc3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000450321848 421182376 /nfs/dbraw/zinc/18/23/76/421182376.db2.gz VGSXOPCGCHGMAP-UHFFFAOYSA-N 1 1 316.365 1.886 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCC[N@@H+]1CCCO)CCN2 ZINC000450591776 421214399 /nfs/dbraw/zinc/21/43/99/421214399.db2.gz GKZLZZNYXYFARS-GFCCVEGCSA-N 1 1 320.393 1.822 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562393869 421361773 /nfs/dbraw/zinc/36/17/73/421361773.db2.gz ZOGVRMRSAAEJKA-ZDUSSCGKSA-N 1 1 323.393 1.783 20 5 DDBDMO CCOC(=O)C[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548783683 421473060 /nfs/dbraw/zinc/47/30/60/421473060.db2.gz DZCZFLLGLWCJQU-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO CCOC(=O)C[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548783683 421473064 /nfs/dbraw/zinc/47/30/64/421473064.db2.gz DZCZFLLGLWCJQU-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000515310698 421491279 /nfs/dbraw/zinc/49/12/79/421491279.db2.gz YJCRQJQQVAEOII-PHIMTYICSA-N 1 1 306.366 1.732 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553556998 421620098 /nfs/dbraw/zinc/62/00/98/421620098.db2.gz QQTHRDVLZRLAFE-GFCCVEGCSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H](C)C1 ZINC000554128842 421633262 /nfs/dbraw/zinc/63/32/62/421633262.db2.gz SWZXXCGQGZBWGH-SGMGOOAPSA-N 1 1 320.393 1.736 20 5 DDBDMO C[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000559390348 421834371 /nfs/dbraw/zinc/83/43/71/421834371.db2.gz SLCXCTWOLYOSIY-QWHCGFSZSA-N 1 1 321.377 1.223 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000543580428 421838938 /nfs/dbraw/zinc/83/89/38/421838938.db2.gz BLQOTUPONTYYMR-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332253289 271033556 /nfs/dbraw/zinc/03/35/56/271033556.db2.gz MJJUUVWLZXSUKG-KBPBESRZSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344628896 272073823 /nfs/dbraw/zinc/07/38/23/272073823.db2.gz FNBMILJPOFSADT-SECBINFHSA-N 1 1 304.306 1.565 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](C2CCC2)C1 ZINC000344779120 272116154 /nfs/dbraw/zinc/11/61/54/272116154.db2.gz UBHLKWZQEUIXSO-LBPRGKRZSA-N 1 1 320.393 1.880 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)[NH+]1CCOCC1 ZINC000278376200 274264866 /nfs/dbraw/zinc/26/48/66/274264866.db2.gz DTEKGMJHBFBTON-MNOVXSKESA-N 1 1 319.365 1.992 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCO)CC2)c(C(F)(F)F)c1 ZINC000413024693 275041066 /nfs/dbraw/zinc/04/10/66/275041066.db2.gz NRSLGPORRKOFCC-UHFFFAOYSA-N 1 1 320.271 1.123 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000420586176 295189711 /nfs/dbraw/zinc/18/97/11/295189711.db2.gz OPCUEQXDUGEUTL-JTQLQIEISA-N 1 1 315.333 1.801 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1 ZINC000353991329 298331705 /nfs/dbraw/zinc/33/17/05/298331705.db2.gz AVOPKSMFDRAQBV-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762442 300133870 /nfs/dbraw/zinc/13/38/70/300133870.db2.gz JARWMHHVLVEUCH-VIFPVBQESA-N 1 1 313.304 1.626 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363104346 300211980 /nfs/dbraw/zinc/21/19/80/300211980.db2.gz OHGOWMDTQZUFLJ-ZDUSSCGKSA-N 1 1 321.381 1.187 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000363379601 300259743 /nfs/dbraw/zinc/25/97/43/300259743.db2.gz SWXVLXMPISWTMG-UHFFFAOYSA-N 1 1 307.350 1.954 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367286691 300822051 /nfs/dbraw/zinc/82/20/51/300822051.db2.gz MJQDXRKJYRKIGC-UXONFWTHSA-N 1 1 311.288 1.674 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510189 302187910 /nfs/dbraw/zinc/18/79/10/302187910.db2.gz FKHBQBSVJBESCW-NEPJUHHUSA-N 1 1 323.324 1.327 20 5 DDBDMO NC(=O)C1([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000377579110 302196065 /nfs/dbraw/zinc/19/60/65/302196065.db2.gz DPKZPXKQLZBFPS-UHFFFAOYSA-N 1 1 318.377 1.515 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377673048 302209056 /nfs/dbraw/zinc/20/90/56/302209056.db2.gz RLMNOGOHGSYJAW-SMDDNHRTSA-N 1 1 305.334 1.042 20 5 DDBDMO Cn1nccc1[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873871 302752003 /nfs/dbraw/zinc/75/20/03/302752003.db2.gz YYGNUXSJHKYICJ-STQMWFEESA-N 1 1 302.334 1.639 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362080612 307013062 /nfs/dbraw/zinc/01/30/62/307013062.db2.gz YGRBIKKXWWFXOJ-CHWSQXEVSA-N 1 1 321.377 1.792 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593316 307032370 /nfs/dbraw/zinc/03/23/70/307032370.db2.gz XYTZNWXWUQWIMD-KGLIPLIRSA-N 1 1 321.381 1.267 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363939923 307038247 /nfs/dbraw/zinc/03/82/47/307038247.db2.gz VKHWGRNMCGBCGF-QWHCGFSZSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370888501 307139151 /nfs/dbraw/zinc/13/91/51/307139151.db2.gz HNSGKCOPMKZXFZ-GFCCVEGCSA-N 1 1 321.381 1.267 20 5 DDBDMO CC[C@H](C)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373248113 307182575 /nfs/dbraw/zinc/18/25/75/307182575.db2.gz WIVKSSIRKSMZCN-NSHDSACASA-N 1 1 309.370 1.343 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000374875178 307215372 /nfs/dbraw/zinc/21/53/72/307215372.db2.gz LAOSLBWBKXVJTN-UHFFFAOYSA-N 1 1 318.377 1.999 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000378496199 307289857 /nfs/dbraw/zinc/28/98/57/307289857.db2.gz MSWJLAFXDJTAKL-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000570118839 308159577 /nfs/dbraw/zinc/15/95/77/308159577.db2.gz YWHNPMKLKOUCEF-DZGCQCFKSA-N 1 1 317.349 1.037 20 5 DDBDMO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000579954051 308569426 /nfs/dbraw/zinc/56/94/26/308569426.db2.gz ZNFCFRXEXCGENW-MPKXVKKWSA-N 1 1 323.349 1.234 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000337572710 490736145 /nfs/dbraw/zinc/73/61/45/490736145.db2.gz DKVCTWZOKSVFEF-UHFFFAOYSA-N 1 1 315.333 1.216 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)C(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000295598073 533900569 /nfs/dbraw/zinc/90/05/69/533900569.db2.gz BYOZUFAGIZIWCP-UHFFFAOYSA-N 1 1 322.365 1.428 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000319016651 533938759 /nfs/dbraw/zinc/93/87/59/533938759.db2.gz CPKLVXMJPCGWLS-PSASIEDQSA-N 1 1 310.329 1.529 20 5 DDBDMO CC[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700487 527758103 /nfs/dbraw/zinc/75/81/03/527758103.db2.gz XREIQTVPRSKORQ-RYWCDNDXSA-N 1 1 307.325 1.958 20 5 DDBDMO CCOc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)ccc1[N+](=O)[O-] ZINC000491606734 528262248 /nfs/dbraw/zinc/26/22/48/528262248.db2.gz IJGSDUAODRQTCX-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+](C)C1CC1 ZINC000736027084 598500362 /nfs/dbraw/zinc/50/03/62/598500362.db2.gz XABOFAGOOXGYJF-MRVPVSSYSA-N 1 1 318.341 1.065 20 5 DDBDMO C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668797 599589693 /nfs/dbraw/zinc/58/96/93/599589693.db2.gz WOKYVNOMPPLBJS-MWLCHTKSSA-N 1 1 317.353 1.670 20 5 DDBDMO C[N@H+](C[C@H]1CCCO1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151736111 696889920 /nfs/dbraw/zinc/88/99/20/696889920.db2.gz STUNQGUKOKPENT-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@@H+](C[C@H]1CCCO1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151736111 696889921 /nfs/dbraw/zinc/88/99/21/696889921.db2.gz STUNQGUKOKPENT-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981138136 697015611 /nfs/dbraw/zinc/01/56/11/697015611.db2.gz MCVLRXNCRTVELE-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981138136 697015613 /nfs/dbraw/zinc/01/56/13/697015613.db2.gz MCVLRXNCRTVELE-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981138136 697015616 /nfs/dbraw/zinc/01/56/16/697015616.db2.gz MCVLRXNCRTVELE-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCF)CC3)nc2c1 ZINC000775672430 698020970 /nfs/dbraw/zinc/02/09/70/698020970.db2.gz GLELAKJXBBWWJA-UHFFFAOYSA-N 1 1 307.329 1.953 20 5 DDBDMO CCOC[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959910 700195245 /nfs/dbraw/zinc/19/52/45/700195245.db2.gz SEKHETXHGGGZQL-GFCCVEGCSA-N 1 1 319.365 1.964 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000776593627 698124239 /nfs/dbraw/zinc/12/42/39/698124239.db2.gz YSHJJKCVRPFIAH-CQSZACIVSA-N 1 1 317.349 1.626 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596655 698124771 /nfs/dbraw/zinc/12/47/71/698124771.db2.gz HJOGIWSAIQDWNO-GJZGRUSLSA-N 1 1 319.361 1.325 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778145196 698244897 /nfs/dbraw/zinc/24/48/97/698244897.db2.gz IXJABNWAYKWGRA-UHFFFAOYSA-N 1 1 304.306 1.929 20 5 DDBDMO C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000778295537 698258093 /nfs/dbraw/zinc/25/80/93/698258093.db2.gz QRBZYAUOVZVNFY-LERXQTSPSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000778295537 698258094 /nfs/dbraw/zinc/25/80/94/698258094.db2.gz QRBZYAUOVZVNFY-LERXQTSPSA-N 1 1 307.350 1.214 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778393787 698270563 /nfs/dbraw/zinc/27/05/63/698270563.db2.gz LTTPPSLHCJCDNU-UHFFFAOYSA-N 1 1 307.335 1.035 20 5 DDBDMO CCCCC[N@@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780340960 698508365 /nfs/dbraw/zinc/50/83/65/698508365.db2.gz CGSDTSDVLIHWEM-CQSZACIVSA-N 1 1 309.366 1.606 20 5 DDBDMO CCCCC[N@H+](CC(N)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780340960 698508366 /nfs/dbraw/zinc/50/83/66/698508366.db2.gz CGSDTSDVLIHWEM-CQSZACIVSA-N 1 1 309.366 1.606 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(Cl)c1 ZINC000705386893 699241014 /nfs/dbraw/zinc/24/10/14/699241014.db2.gz IXHCRSNTSNJYPH-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c(Cl)c1 ZINC000705386893 699241017 /nfs/dbraw/zinc/24/10/17/699241017.db2.gz IXHCRSNTSNJYPH-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCOCC1 ZINC000735894295 699708830 /nfs/dbraw/zinc/70/88/30/699708830.db2.gz PYOCPCPYZVPJBH-UHFFFAOYSA-N 1 1 323.349 1.272 20 5 DDBDMO CO[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000751942785 700328617 /nfs/dbraw/zinc/32/86/17/700328617.db2.gz XDHTXQPFCMLQQT-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000751942785 700328621 /nfs/dbraw/zinc/32/86/21/700328621.db2.gz XDHTXQPFCMLQQT-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801936492 700357597 /nfs/dbraw/zinc/35/75/97/700357597.db2.gz UQLUYMBZWILDMA-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801936492 700357600 /nfs/dbraw/zinc/35/76/00/700357600.db2.gz UQLUYMBZWILDMA-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000762719245 700904320 /nfs/dbraw/zinc/90/43/20/700904320.db2.gz RCJQGNXUCGHGLD-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764903036 700990794 /nfs/dbraw/zinc/99/07/94/700990794.db2.gz WNXPVFHZXSYDGV-LLVKDONJSA-N 1 1 318.333 1.705 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764903036 700990796 /nfs/dbraw/zinc/99/07/96/700990796.db2.gz WNXPVFHZXSYDGV-LLVKDONJSA-N 1 1 318.333 1.705 20 5 DDBDMO O=c1c([N+](=O)[O-])cn(Cc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000768457486 701179097 /nfs/dbraw/zinc/17/90/97/701179097.db2.gz FATMQQKNGOXXTI-UHFFFAOYSA-N 1 1 315.245 1.361 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000768787352 701202608 /nfs/dbraw/zinc/20/26/08/701202608.db2.gz ZJPOSWABLKOZBD-UHFFFAOYSA-N 1 1 312.395 1.195 20 5 DDBDMO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000839751967 701809947 /nfs/dbraw/zinc/80/99/47/701809947.db2.gz VGJHKYJTWGZXBS-INMHGKMJSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000839751967 701809953 /nfs/dbraw/zinc/80/99/53/701809953.db2.gz VGJHKYJTWGZXBS-INMHGKMJSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000839751967 701809960 /nfs/dbraw/zinc/80/99/60/701809960.db2.gz VGJHKYJTWGZXBS-INMHGKMJSA-N 1 1 317.389 1.680 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000840222260 702033409 /nfs/dbraw/zinc/03/34/09/702033409.db2.gz BYJMBODSGDPZBW-GFCCVEGCSA-N 1 1 310.354 1.599 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206765 706648721 /nfs/dbraw/zinc/64/87/21/706648721.db2.gz NAYJROBUMLTZJL-NWDGAFQWSA-N 1 1 304.350 1.224 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831175542 706650449 /nfs/dbraw/zinc/65/04/49/706650449.db2.gz LMYQXBGVAGAOLT-AAEUAGOBSA-N 1 1 302.277 1.330 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000816953613 702237734 /nfs/dbraw/zinc/23/77/34/702237734.db2.gz KJWUOKUPMYUVMQ-ZWNOBZJWSA-N 1 1 307.325 1.818 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000816954723 702238689 /nfs/dbraw/zinc/23/86/89/702238689.db2.gz JJNZEHZHEDHZFL-ZANVPECISA-N 1 1 320.305 1.279 20 5 DDBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000869240244 702527856 /nfs/dbraw/zinc/52/78/56/702527856.db2.gz YKTQGIPMKXJAJE-LBPRGKRZSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000842163530 702678738 /nfs/dbraw/zinc/67/87/38/702678738.db2.gz PEVFRQXIONNIRI-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564389 706719014 /nfs/dbraw/zinc/71/90/14/706719014.db2.gz ZQNKABISTZYTBL-VXGBXAGGSA-N 1 1 309.391 1.441 20 5 DDBDMO CN(C(=O)C[N@@H+]1C[C@H](O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879620955 706741524 /nfs/dbraw/zinc/74/15/24/706741524.db2.gz MVJWFCPTKJXLII-CQSZACIVSA-N 1 1 321.377 1.650 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000879620955 706741525 /nfs/dbraw/zinc/74/15/25/706741525.db2.gz MVJWFCPTKJXLII-CQSZACIVSA-N 1 1 321.377 1.650 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848351486 703542137 /nfs/dbraw/zinc/54/21/37/703542137.db2.gz DMEYMQSLYYIMTC-HUUCEWRRSA-N 1 1 318.377 1.924 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000819040289 704057199 /nfs/dbraw/zinc/05/71/99/704057199.db2.gz ZAQDOKWNMAOFQM-ZBFHGGJFSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000819040289 704057200 /nfs/dbraw/zinc/05/72/00/704057200.db2.gz ZAQDOKWNMAOFQM-ZBFHGGJFSA-N 1 1 305.378 1.702 20 5 DDBDMO CN(C)c1nc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000819128926 704073504 /nfs/dbraw/zinc/07/35/04/704073504.db2.gz URFCXWXCMZKCPQ-ZDUSSCGKSA-N 1 1 322.390 1.941 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000852571173 704078221 /nfs/dbraw/zinc/07/82/21/704078221.db2.gz JWWTZKGZZVSNNZ-UHFFFAOYSA-N 1 1 311.338 1.604 20 5 DDBDMO CN(C[C@@H]1CCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870879116 704155052 /nfs/dbraw/zinc/15/50/52/704155052.db2.gz UCHZNNDLMHUFNP-ZFWWWQNUSA-N 1 1 307.350 1.406 20 5 DDBDMO COC[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870886301 704157957 /nfs/dbraw/zinc/15/79/57/704157957.db2.gz CRFDFFPHGWWVQO-MLGOLLRUSA-N 1 1 321.377 1.654 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000853540714 704263362 /nfs/dbraw/zinc/26/33/62/704263362.db2.gz LBIPCGIBHSMMLO-JTQLQIEISA-N 1 1 303.322 1.813 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000855284601 704477339 /nfs/dbraw/zinc/47/73/39/704477339.db2.gz WDBKTWSLNQZIFM-OCCSQVGLSA-N 1 1 321.377 1.617 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836917 705194209 /nfs/dbraw/zinc/19/42/09/705194209.db2.gz IDKKXSPBGAGTDT-VXGBXAGGSA-N 1 1 304.350 1.486 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823985931 705349413 /nfs/dbraw/zinc/34/94/13/705349413.db2.gz FGIWWIRHWPWGDE-NSHDSACASA-N 1 1 321.381 1.983 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824765245 705526157 /nfs/dbraw/zinc/52/61/57/705526157.db2.gz VDFCIOMRRAQTMU-NSHDSACASA-N 1 1 309.370 1.089 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827231536 705956437 /nfs/dbraw/zinc/95/64/37/705956437.db2.gz HIHXYACCLVHVAP-OCCSQVGLSA-N 1 1 321.352 1.829 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000827269313 705964954 /nfs/dbraw/zinc/96/49/54/705964954.db2.gz WQWOONNHLACERH-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297891 705970536 /nfs/dbraw/zinc/97/05/36/705970536.db2.gz HNVKQNOYTMYAAQ-QWRGUYRKSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297891 705970537 /nfs/dbraw/zinc/97/05/37/705970537.db2.gz HNVKQNOYTMYAAQ-QWRGUYRKSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827297891 705970538 /nfs/dbraw/zinc/97/05/38/705970538.db2.gz HNVKQNOYTMYAAQ-QWRGUYRKSA-N 1 1 321.381 1.608 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@@H]2CCC[N@@H+]2CCCO)nc2ccccn21 ZINC000828422926 706176538 /nfs/dbraw/zinc/17/65/38/706176538.db2.gz SPDBRJKOEHKDDE-LBPRGKRZSA-N 1 1 319.365 1.501 20 5 DDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829019233 706274887 /nfs/dbraw/zinc/27/48/87/706274887.db2.gz BKKVPXSIWKZEGM-PHIMTYICSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829019233 706274890 /nfs/dbraw/zinc/27/48/90/706274890.db2.gz BKKVPXSIWKZEGM-PHIMTYICSA-N 1 1 324.337 1.394 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000880047168 706862956 /nfs/dbraw/zinc/86/29/56/706862956.db2.gz IZXYLPDYXRTKKL-JTQLQIEISA-N 1 1 308.260 1.445 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000880047168 706862957 /nfs/dbraw/zinc/86/29/57/706862957.db2.gz IZXYLPDYXRTKKL-JTQLQIEISA-N 1 1 308.260 1.445 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134031 706886471 /nfs/dbraw/zinc/88/64/71/706886471.db2.gz LIXPZBIFJYGJHD-ZIAGYGMSSA-N 1 1 318.377 1.362 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000836948108 707553018 /nfs/dbraw/zinc/55/30/18/707553018.db2.gz XYOZIVQWMZZCNK-LBPRGKRZSA-N 1 1 306.366 1.733 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000836947560 707553098 /nfs/dbraw/zinc/55/30/98/707553098.db2.gz IZTRXDGKUCYRCE-JTQLQIEISA-N 1 1 324.356 1.872 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000872725088 707573284 /nfs/dbraw/zinc/57/32/84/707573284.db2.gz ORLJVDWTQBFOKT-IUODEOHRSA-N 1 1 315.377 1.928 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779130 707596723 /nfs/dbraw/zinc/59/67/23/707596723.db2.gz MYCHKUCDGUVBFQ-ZIAGYGMSSA-N 1 1 304.350 1.367 20 5 DDBDMO O=[N+]([O-])c1cn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)nc1-c1ccncc1 ZINC000872785350 707599941 /nfs/dbraw/zinc/59/99/41/707599941.db2.gz AMJAQTIMTBDNGH-BETUJISGSA-N 1 1 315.333 1.389 20 5 DDBDMO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)nc1-c1ccncc1 ZINC000872785350 707599944 /nfs/dbraw/zinc/59/99/44/707599944.db2.gz AMJAQTIMTBDNGH-BETUJISGSA-N 1 1 315.333 1.389 20 5 DDBDMO C[N@@H+](CCCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000837224551 707601651 /nfs/dbraw/zinc/60/16/51/707601651.db2.gz DNHOLORPAXSLGM-HNNXBMFYSA-N 1 1 321.377 1.619 20 5 DDBDMO CC(C)(C)OCCC[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000882931544 707858157 /nfs/dbraw/zinc/85/81/57/707858157.db2.gz LYLGXQSBGXMABA-UHFFFAOYSA-N 1 1 323.397 1.712 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000886827922 708855520 /nfs/dbraw/zinc/85/55/20/708855520.db2.gz UFWDTHKRSMIRMS-DZGCQCFKSA-N 1 1 319.361 1.695 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000889224481 709464288 /nfs/dbraw/zinc/46/42/88/709464288.db2.gz KYBBAOZPHPMQNU-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000928093324 713127522 /nfs/dbraw/zinc/12/75/22/713127522.db2.gz BWEZXWBDDKIEJL-PWSUYJOCSA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000928093324 713127523 /nfs/dbraw/zinc/12/75/23/713127523.db2.gz BWEZXWBDDKIEJL-PWSUYJOCSA-N 1 1 324.406 1.243 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900804822 709767368 /nfs/dbraw/zinc/76/73/68/709767368.db2.gz NNNONYGNGYBRSE-IINYFYTJSA-N 1 1 324.356 1.098 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910296679 709874383 /nfs/dbraw/zinc/87/43/83/709874383.db2.gz ODCXGZFXUTUIRD-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000893386503 710627857 /nfs/dbraw/zinc/62/78/57/710627857.db2.gz VIFYRYXUALODBZ-LBPRGKRZSA-N 1 1 302.371 1.476 20 5 DDBDMO CCO[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000902527614 710782584 /nfs/dbraw/zinc/78/25/84/710782584.db2.gz KAJYATZODCOYAQ-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000902527614 710782588 /nfs/dbraw/zinc/78/25/88/710782588.db2.gz KAJYATZODCOYAQ-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO COc1cc([C@H](C)[NH2+]CC(=O)NCC(F)F)cc([N+](=O)[O-])c1 ZINC000903168591 711053626 /nfs/dbraw/zinc/05/36/26/711053626.db2.gz YGPRNSTULKEDLP-QMMMGPOBSA-N 1 1 317.292 1.635 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928558880 713226538 /nfs/dbraw/zinc/22/65/38/713226538.db2.gz YEBNUEOFQRBWKB-VIFPVBQESA-N 1 1 310.329 1.234 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928558880 713226540 /nfs/dbraw/zinc/22/65/40/713226540.db2.gz YEBNUEOFQRBWKB-VIFPVBQESA-N 1 1 310.329 1.234 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1CO ZINC000894887644 711308912 /nfs/dbraw/zinc/30/89/12/711308912.db2.gz HPTMYPZNQHIIDG-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000894997479 711357656 /nfs/dbraw/zinc/35/76/56/711357656.db2.gz QZKZGBQNUQTPGA-UHFFFAOYSA-N 1 1 317.349 1.356 20 5 DDBDMO O=C(NC12CC[NH+](CC1)C2)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000913627423 713271607 /nfs/dbraw/zinc/27/16/07/713271607.db2.gz JVFFDFQLOUSMKF-UHFFFAOYSA-N 1 1 301.302 1.919 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896526574 711738925 /nfs/dbraw/zinc/73/89/25/711738925.db2.gz YXEGEJLLAPNSRL-NSHDSACASA-N 1 1 310.329 1.794 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO[C@@H]3CCOC3)CC2)cc1 ZINC000929154078 713558073 /nfs/dbraw/zinc/55/80/73/713558073.db2.gz HKAKXMFCQUTPCK-MRXNPFEDSA-N 1 1 321.377 1.522 20 5 DDBDMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929228692 713571552 /nfs/dbraw/zinc/57/15/52/713571552.db2.gz RBOJWTAZQKGVQU-LSDHHAIUSA-N 1 1 303.362 1.862 20 5 DDBDMO Cn1cc(CN2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000931284593 714057386 /nfs/dbraw/zinc/05/73/86/714057386.db2.gz VWWLQEDSTPTJLV-UHFFFAOYSA-N 1 1 323.397 1.015 20 5 DDBDMO C[C@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933707301 714652498 /nfs/dbraw/zinc/65/24/98/714652498.db2.gz YCSRAVJDXLUOAI-PTNZTPPNSA-N 1 1 318.377 1.296 20 5 DDBDMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC(=O)NC ZINC000933860496 714685409 /nfs/dbraw/zinc/68/54/09/714685409.db2.gz LVJXTKKRCWJKLI-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934121145 714747286 /nfs/dbraw/zinc/74/72/86/714747286.db2.gz KOUPFODPQIFTKG-GXTWGEPZSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000934121145 714747287 /nfs/dbraw/zinc/74/72/87/714747287.db2.gz KOUPFODPQIFTKG-GXTWGEPZSA-N 1 1 323.349 1.651 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934255652 714776499 /nfs/dbraw/zinc/77/64/99/714776499.db2.gz UYKMPXXWQJCOLF-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925309437 714803172 /nfs/dbraw/zinc/80/31/72/714803172.db2.gz ZYLBKTMLDMCLLC-MWLCHTKSSA-N 1 1 308.338 1.818 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000934547764 714848510 /nfs/dbraw/zinc/84/85/10/714848510.db2.gz JEJQFWUGRDZFLK-ZDUSSCGKSA-N 1 1 323.397 1.194 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934637805 714867942 /nfs/dbraw/zinc/86/79/42/714867942.db2.gz NRFWPUGJDBDNCU-AWEZNQCLSA-N 1 1 324.381 1.309 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934637805 714867943 /nfs/dbraw/zinc/86/79/43/714867943.db2.gz NRFWPUGJDBDNCU-AWEZNQCLSA-N 1 1 324.381 1.309 20 5 DDBDMO CC1([NH2+]Cc2cncs2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107708 716626881 /nfs/dbraw/zinc/62/68/81/716626881.db2.gz PPADDPHYWIRGJU-VXGBXAGGSA-N 1 1 324.406 1.279 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164631979 719256084 /nfs/dbraw/zinc/25/60/84/719256084.db2.gz GSTXIWXRZISQES-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164631979 719256088 /nfs/dbraw/zinc/25/60/88/719256088.db2.gz GSTXIWXRZISQES-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(N3CCc4[nH+]ccn4CC3)c21 ZINC001167182022 732809582 /nfs/dbraw/zinc/80/95/82/732809582.db2.gz KNXOXBNXSCEKBC-UHFFFAOYSA-N 1 1 310.317 1.797 20 5 DDBDMO O=C(NC1CC2(C1)CC([NH2+]C/C=C/Cl)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001121087660 782351024 /nfs/dbraw/zinc/35/10/24/782351024.db2.gz SNFVQOUUTSGQLS-CKLPMJENSA-N 1 1 313.785 1.421 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001121198267 782404594 /nfs/dbraw/zinc/40/45/94/782404594.db2.gz GKCMRVLRHFYRKH-MJBXVCDLSA-N 1 1 303.362 1.594 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018272 762198973 /nfs/dbraw/zinc/19/89/73/762198973.db2.gz ALHFUMMMBAYKHI-AVGNSLFASA-N 1 1 323.397 1.196 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018272 762198979 /nfs/dbraw/zinc/19/89/79/762198979.db2.gz ALHFUMMMBAYKHI-AVGNSLFASA-N 1 1 323.397 1.196 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018277 762199060 /nfs/dbraw/zinc/19/90/60/762199060.db2.gz ALHFUMMMBAYKHI-RWMBFGLXSA-N 1 1 323.397 1.196 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169018277 762199065 /nfs/dbraw/zinc/19/90/65/762199065.db2.gz ALHFUMMMBAYKHI-RWMBFGLXSA-N 1 1 323.397 1.196 20 5 DDBDMO Cc1cc(N(C)CCNC(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001100149480 765466374 /nfs/dbraw/zinc/46/63/74/765466374.db2.gz JCSMJFQMYWCTNR-UHFFFAOYSA-N 1 1 322.409 1.796 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922227 772211199 /nfs/dbraw/zinc/21/11/99/772211199.db2.gz AMYYMIPUZRVKFL-HZMBPMFUSA-N 1 1 306.366 1.589 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001093770637 775066824 /nfs/dbraw/zinc/06/68/24/775066824.db2.gz AOPBKFFUJAUZBU-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001116230209 780487254 /nfs/dbraw/zinc/48/72/54/780487254.db2.gz URPUVMHRCBKOMS-GHMZBOCLSA-N 1 1 318.377 1.992 20 5 DDBDMO O=C(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)N1CCCC1 ZINC001118987484 781291243 /nfs/dbraw/zinc/29/12/43/781291243.db2.gz VTVQRMQGEKRNSF-UHFFFAOYSA-N 1 1 300.318 1.599 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001119305541 781399099 /nfs/dbraw/zinc/39/90/99/781399099.db2.gz CHTNRNDKEGTXGM-GFCCVEGCSA-N 1 1 321.381 1.090 20 5 DDBDMO Cc1ccc(CC[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001268791182 840818536 /nfs/dbraw/zinc/81/85/36/840818536.db2.gz LWDBPXODHZHZIE-HZPDHXFCSA-N 1 1 319.405 1.641 20 5 DDBDMO Cc1nc(N2CCN(c3[nH+]cccc3N)CC2)ccc1[N+](=O)[O-] ZINC001154782206 861447830 /nfs/dbraw/zinc/44/78/30/861447830.db2.gz INMZMFCQQNLJTG-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@H]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC001154940072 861589102 /nfs/dbraw/zinc/58/91/02/861589102.db2.gz LFRQGHVFDLXTIR-MALLOTDXSA-N 1 1 319.365 1.460 20 5 DDBDMO O=[N+]([O-])c1cc(NCC2([NH+]3CCCC3)COC2)nc2[nH]ccc21 ZINC001157656022 864021652 /nfs/dbraw/zinc/02/16/52/864021652.db2.gz RQXTYCZNFHXJEI-UHFFFAOYSA-N 1 1 317.349 1.748 20 5 DDBDMO Cc1ccccc1CCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775045 864129343 /nfs/dbraw/zinc/12/93/43/864129343.db2.gz JFJNWAZZYJCOPA-HZPDHXFCSA-N 1 1 319.405 1.689 20 5 DDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@H+]1CCO ZINC001331599359 865174904 /nfs/dbraw/zinc/17/49/04/865174904.db2.gz CPNPWDXUWHTRBQ-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001277054372 881889983 /nfs/dbraw/zinc/88/99/83/881889983.db2.gz DFPXIIQSFGRJKS-ZIAGYGMSSA-N 1 1 303.362 1.399 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001160160794 865704841 /nfs/dbraw/zinc/70/48/41/865704841.db2.gz RPTGJWNSXCGWES-AWEZNQCLSA-N 1 1 305.378 1.998 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160724981 866072790 /nfs/dbraw/zinc/07/27/90/866072790.db2.gz NMQYNTXITJZPPM-QWHCGFSZSA-N 1 1 307.354 1.237 20 5 DDBDMO COC(=O)N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319846184 866336579 /nfs/dbraw/zinc/33/65/79/866336579.db2.gz SJBJPTRVMQWWOQ-AWEZNQCLSA-N 1 1 323.349 1.402 20 5 DDBDMO COC(=O)N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319846184 866336599 /nfs/dbraw/zinc/33/65/99/866336599.db2.gz SJBJPTRVMQWWOQ-AWEZNQCLSA-N 1 1 323.349 1.402 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001333216285 866527374 /nfs/dbraw/zinc/52/73/74/866527374.db2.gz UUNXPZIEIZNOLN-IAQYHMDHSA-N 1 1 309.341 1.977 20 5 DDBDMO C[N@@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H](c2ccccc2)C1 ZINC001163668762 868611303 /nfs/dbraw/zinc/61/13/03/868611303.db2.gz DUYFTYCLTONGJZ-HNNXBMFYSA-N 1 1 314.345 1.721 20 5 DDBDMO C[N@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H](c2ccccc2)C1 ZINC001163668762 868611308 /nfs/dbraw/zinc/61/13/08/868611308.db2.gz DUYFTYCLTONGJZ-HNNXBMFYSA-N 1 1 314.345 1.721 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228061829 883309647 /nfs/dbraw/zinc/30/96/47/883309647.db2.gz XKRQZGGDODRQOZ-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO COc1ncc([N+](=O)[O-])cc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164210301 869017840 /nfs/dbraw/zinc/01/78/40/869017840.db2.gz BGVAJZIUUJXZAW-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO CC(C)Oc1nc(N2CCC(F)(F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001164325903 869129545 /nfs/dbraw/zinc/12/95/45/869129545.db2.gz ABYAPOHLYJFXEC-SNVBAGLBSA-N 1 1 316.308 1.950 20 5 DDBDMO COCCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165095118 869371372 /nfs/dbraw/zinc/37/13/72/869371372.db2.gz RSIYUELTCRHSKN-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001337837202 869651368 /nfs/dbraw/zinc/65/13/68/869651368.db2.gz YYQGGKGDUZPYOX-LERXQTSPSA-N 1 1 304.350 1.368 20 5 DDBDMO Cc1nc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)ncc1[N+](=O)[O-] ZINC001166032481 869809275 /nfs/dbraw/zinc/80/92/75/869809275.db2.gz ZCIJBLSJQZQKEZ-UHFFFAOYSA-N 1 1 320.353 1.328 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001338162363 869842032 /nfs/dbraw/zinc/84/20/32/869842032.db2.gz INNDGLOMTNNDQS-XJKSGUPXSA-N 1 1 321.377 1.541 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@]23CCCOC3)c1 ZINC001308171586 871478570 /nfs/dbraw/zinc/47/85/70/871478570.db2.gz VKCLWKIADIORFB-LSDHHAIUSA-N 1 1 324.381 1.187 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311322773 871693944 /nfs/dbraw/zinc/69/39/44/871693944.db2.gz LRFQIUIRUUCTRB-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001311322773 871693951 /nfs/dbraw/zinc/69/39/51/871693951.db2.gz LRFQIUIRUUCTRB-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1c(C(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001319027943 872403646 /nfs/dbraw/zinc/40/36/46/872403646.db2.gz KDCPYMBUSJNIAF-UHFFFAOYSA-N 1 1 320.305 1.413 20 5 DDBDMO Cc1cc(NC(=O)NCC[N@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC001346655055 873838152 /nfs/dbraw/zinc/83/81/52/873838152.db2.gz DMJLOZUZWUJRGA-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO NC(=O)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001350441023 875692263 /nfs/dbraw/zinc/69/22/63/875692263.db2.gz OYDUAHJYZYJKBT-LBPRGKRZSA-N 1 1 304.350 1.368 20 5 DDBDMO COC(=O)c1cc(CO[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689054 881057696 /nfs/dbraw/zinc/05/76/96/881057696.db2.gz SYAGNIRAJSMFGO-AWEZNQCLSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1c(OCC[N@@H+]2CC[C@@H](OC)C2)cccc1[N+](=O)[O-] ZINC001229049782 883792412 /nfs/dbraw/zinc/79/24/12/883792412.db2.gz LEGKUKKKUQHXPT-LLVKDONJSA-N 1 1 324.333 1.481 20 5 DDBDMO COC(=O)c1cc(O[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC001229942921 884239820 /nfs/dbraw/zinc/23/98/20/884239820.db2.gz RHZOZWAZWOTFJM-SECBINFHSA-N 1 1 312.297 1.994 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@](O)(C[NH3+])C1 ZINC001246559071 892697362 /nfs/dbraw/zinc/69/73/62/892697362.db2.gz NFEMFNYYOHHEDD-BBRMVZONSA-N 1 1 307.394 1.702 20 5 DDBDMO N[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@H]1O ZINC001246570256 892703489 /nfs/dbraw/zinc/70/34/89/892703489.db2.gz FODGUVSEYDJIPZ-FVQBIDKESA-N 1 1 305.378 1.236 20 5 DDBDMO N[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@H]1O ZINC001246570256 892703498 /nfs/dbraw/zinc/70/34/98/892703498.db2.gz FODGUVSEYDJIPZ-FVQBIDKESA-N 1 1 305.378 1.236 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001254559270 896502210 /nfs/dbraw/zinc/50/22/10/896502210.db2.gz JYIGVSUVLYJDND-GXTWGEPZSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001254559270 896502217 /nfs/dbraw/zinc/50/22/17/896502217.db2.gz JYIGVSUVLYJDND-GXTWGEPZSA-N 1 1 303.362 1.832 20 5 DDBDMO CC(=O)N1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601095 896525083 /nfs/dbraw/zinc/52/50/83/896525083.db2.gz ZGLCGSBFIFJSJL-INIZCTEOSA-N 1 1 303.362 1.616 20 5 DDBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605225 896526542 /nfs/dbraw/zinc/52/65/42/896526542.db2.gz AKDKZKQSCQPJNW-GJZGRUSLSA-N 1 1 303.362 1.663 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605016 896528104 /nfs/dbraw/zinc/52/81/04/896528104.db2.gz ZTGIHZHPVJIJNU-SWLSCSKDSA-N 1 1 304.346 1.947 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)ccc1[N+](=O)[O-] ZINC001262826283 900387583 /nfs/dbraw/zinc/38/75/83/900387583.db2.gz GXWCKKDOLBDUGO-FRRDWIJNSA-N 1 1 319.361 1.673 20 5 DDBDMO COc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000278396057 214139955 /nfs/dbraw/zinc/13/99/55/214139955.db2.gz FGJSMZMFOGGZSJ-CYBMUJFWSA-N 1 1 319.361 1.846 20 5 DDBDMO COc1cc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000248904755 282117077 /nfs/dbraw/zinc/11/70/77/282117077.db2.gz HUHFHAIQEAUHPR-NXEZZACHSA-N 1 1 316.329 1.306 20 5 DDBDMO COc1cc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000248904755 282117078 /nfs/dbraw/zinc/11/70/78/282117078.db2.gz HUHFHAIQEAUHPR-NXEZZACHSA-N 1 1 316.329 1.306 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000278571749 214245493 /nfs/dbraw/zinc/24/54/93/214245493.db2.gz XJYRFYYSQMGONE-LLVKDONJSA-N 1 1 323.349 1.513 20 5 DDBDMO Cc1cnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000278684253 214324501 /nfs/dbraw/zinc/32/45/01/214324501.db2.gz DONPPXDIJPIHRP-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000451358755 231075653 /nfs/dbraw/zinc/07/56/53/231075653.db2.gz HBLJBFZDUFYVNF-LLVKDONJSA-N 1 1 309.366 1.933 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451433786 231094267 /nfs/dbraw/zinc/09/42/67/231094267.db2.gz PGHHBMQSLSLVPN-CYBMUJFWSA-N 1 1 302.277 1.805 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451433786 231094270 /nfs/dbraw/zinc/09/42/70/231094270.db2.gz PGHHBMQSLSLVPN-CYBMUJFWSA-N 1 1 302.277 1.805 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451925623 231235308 /nfs/dbraw/zinc/23/53/08/231235308.db2.gz LDZHPZPYBIMJSJ-HNNXBMFYSA-N 1 1 310.350 1.304 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452064913 231288177 /nfs/dbraw/zinc/28/81/77/231288177.db2.gz GVJCZNSNDVTOCR-BXUZGUMPSA-N 1 1 321.377 1.935 20 5 DDBDMO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1O ZINC000615141185 362170589 /nfs/dbraw/zinc/17/05/89/362170589.db2.gz HDBZAKZEMKNWJR-OAHLLOKOSA-N 1 1 322.361 1.959 20 5 DDBDMO CC1(C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1O ZINC000615141185 362170592 /nfs/dbraw/zinc/17/05/92/362170592.db2.gz HDBZAKZEMKNWJR-OAHLLOKOSA-N 1 1 322.361 1.959 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(CO)CC1 ZINC000615140478 362170649 /nfs/dbraw/zinc/17/06/49/362170649.db2.gz INSMVNXJPFSQKQ-UHFFFAOYSA-N 1 1 308.334 1.570 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(CO)CC1 ZINC000615140478 362170652 /nfs/dbraw/zinc/17/06/52/362170652.db2.gz INSMVNXJPFSQKQ-UHFFFAOYSA-N 1 1 308.334 1.570 20 5 DDBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292364635 529995705 /nfs/dbraw/zinc/99/57/05/529995705.db2.gz YFKKZWMUYVJUOW-ZDUSSCGKSA-N 1 1 313.379 1.061 20 5 DDBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292364635 529995706 /nfs/dbraw/zinc/99/57/06/529995706.db2.gz YFKKZWMUYVJUOW-ZDUSSCGKSA-N 1 1 313.379 1.061 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330909832 232156151 /nfs/dbraw/zinc/15/61/51/232156151.db2.gz PCAOEXHMXVKKFG-PWSUYJOCSA-N 1 1 309.370 1.089 20 5 DDBDMO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000320233252 290819682 /nfs/dbraw/zinc/81/96/82/290819682.db2.gz HQWCRHGZFNNQIQ-YUMQZZPRSA-N 1 1 305.331 1.138 20 5 DDBDMO CC(C)(C)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000279943290 215258988 /nfs/dbraw/zinc/25/89/88/215258988.db2.gz XIMQYDXRCOQRQG-ZDUSSCGKSA-N 1 1 309.366 1.503 20 5 DDBDMO CC(C)(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000279943290 215258990 /nfs/dbraw/zinc/25/89/90/215258990.db2.gz XIMQYDXRCOQRQG-ZDUSSCGKSA-N 1 1 309.366 1.503 20 5 DDBDMO Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000266845484 186357449 /nfs/dbraw/zinc/35/74/49/186357449.db2.gz OOQHJUDOFIUYRT-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO CNc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000025136191 352194600 /nfs/dbraw/zinc/19/46/00/352194600.db2.gz HKFGFSHPMMFDOI-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000028013109 352225606 /nfs/dbraw/zinc/22/56/06/352225606.db2.gz VKVRQILRABDBTC-ZDUSSCGKSA-N 1 1 321.377 1.681 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000579287593 422741702 /nfs/dbraw/zinc/74/17/02/422741702.db2.gz LWSSVLNWJJHFPX-NWDGAFQWSA-N 1 1 319.361 1.912 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331719399 234042485 /nfs/dbraw/zinc/04/24/85/234042485.db2.gz QXIRWGVNCCZTAQ-LSDHHAIUSA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000054352463 352688383 /nfs/dbraw/zinc/68/83/83/352688383.db2.gz DNHXZBWOMKTHBS-UHFFFAOYSA-N 1 1 302.334 1.849 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000060500079 352873961 /nfs/dbraw/zinc/87/39/61/352873961.db2.gz IVMWZDUBIVHJBX-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000063852179 352927568 /nfs/dbraw/zinc/92/75/68/352927568.db2.gz TUBMIAMPHDXFNI-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)CC3CC3)n2)c1 ZINC000064516641 352939831 /nfs/dbraw/zinc/93/98/31/352939831.db2.gz PFXSUOQUFRAPAL-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)CC3CC3)n2)c1 ZINC000064516641 352939832 /nfs/dbraw/zinc/93/98/32/352939832.db2.gz PFXSUOQUFRAPAL-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069370708 353159042 /nfs/dbraw/zinc/15/90/42/353159042.db2.gz OVKGAJRFPXTFTJ-ZDUSSCGKSA-N 1 1 321.377 1.746 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@@H](C)O ZINC000072712803 353210702 /nfs/dbraw/zinc/21/07/02/353210702.db2.gz RELKZPODHMGUMS-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO CCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072953372 353227554 /nfs/dbraw/zinc/22/75/54/353227554.db2.gz MKVPRVRILSATQE-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072953372 353227556 /nfs/dbraw/zinc/22/75/56/353227556.db2.gz MKVPRVRILSATQE-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332018955 234394635 /nfs/dbraw/zinc/39/46/35/234394635.db2.gz HYJWIIMMGVFQRA-HIFRSBDPSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C(C[NH+]1CCC(CO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000076991726 353447421 /nfs/dbraw/zinc/44/74/21/353447421.db2.gz ZQPUSWWJARYGIA-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080430511 353607353 /nfs/dbraw/zinc/60/73/53/353607353.db2.gz OLHCNYXWHCGFPV-CQSZACIVSA-N 1 1 321.402 1.858 20 5 DDBDMO CCc1nn(C)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000091742978 353835251 /nfs/dbraw/zinc/83/52/51/353835251.db2.gz ITWBEZSZLFXIID-DGCLKSJQSA-N 1 1 307.398 1.811 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358629446 299209472 /nfs/dbraw/zinc/20/94/72/299209472.db2.gz CJCHQXBOFPWJGY-UHFFFAOYSA-N 1 1 324.381 1.281 20 5 DDBDMO Cc1cnn(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000358647142 299213573 /nfs/dbraw/zinc/21/35/73/299213573.db2.gz CACYJRRPZWUUOR-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000157921036 354227998 /nfs/dbraw/zinc/22/79/98/354227998.db2.gz PZQGPLAJVNMBNZ-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000157921036 354228000 /nfs/dbraw/zinc/22/80/00/354228000.db2.gz PZQGPLAJVNMBNZ-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc(C[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000589198180 354972419 /nfs/dbraw/zinc/97/24/19/354972419.db2.gz PNVPPHVINKQKKL-CYBMUJFWSA-N 1 1 310.350 1.815 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCN1CCOCC1)CC2 ZINC000332494018 235033029 /nfs/dbraw/zinc/03/30/29/235033029.db2.gz YNXDJSSQENOOBN-UHFFFAOYSA-N 1 1 306.366 1.070 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590010365 355039112 /nfs/dbraw/zinc/03/91/12/355039112.db2.gz CIDCVFWUCWCRRI-DOMZBBRYSA-N 1 1 318.377 1.478 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000590541654 355110639 /nfs/dbraw/zinc/11/06/39/355110639.db2.gz JMJKAUAKVJNUTA-ZDUSSCGKSA-N 1 1 318.377 1.023 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443488 355097205 /nfs/dbraw/zinc/09/72/05/355097205.db2.gz KMXMLCYFLYROCA-VHSXEESVSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443488 355097206 /nfs/dbraw/zinc/09/72/06/355097206.db2.gz KMXMLCYFLYROCA-VHSXEESVSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000590443488 355097207 /nfs/dbraw/zinc/09/72/07/355097207.db2.gz KMXMLCYFLYROCA-VHSXEESVSA-N 1 1 307.354 1.217 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000590444455 355098864 /nfs/dbraw/zinc/09/88/64/355098864.db2.gz LZJTWHXXBUCMKJ-PRHODGIISA-N 1 1 308.313 1.092 20 5 DDBDMO CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037765 355236547 /nfs/dbraw/zinc/23/65/47/355236547.db2.gz ZMZDFWANZDYMPK-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@@H+]1C[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037765 355236550 /nfs/dbraw/zinc/23/65/50/355236550.db2.gz ZMZDFWANZDYMPK-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591037765 355236555 /nfs/dbraw/zinc/23/65/55/355236555.db2.gz ZMZDFWANZDYMPK-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO O=[N+]([O-])c1ncccc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000591175298 355261211 /nfs/dbraw/zinc/26/12/11/355261211.db2.gz QMSHXIFOGDSGEN-UHFFFAOYSA-N 1 1 322.365 1.283 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC000591147176 355254952 /nfs/dbraw/zinc/25/49/52/355254952.db2.gz BRTZVXQXCRBBSK-LBPRGKRZSA-N 1 1 323.372 1.345 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592533590 355618353 /nfs/dbraw/zinc/61/83/53/355618353.db2.gz UMBNYLVHFREOQY-GNXSNYGWSA-N 1 1 320.345 1.464 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592533590 355618356 /nfs/dbraw/zinc/61/83/56/355618356.db2.gz UMBNYLVHFREOQY-GNXSNYGWSA-N 1 1 320.345 1.464 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000593024743 355772378 /nfs/dbraw/zinc/77/23/78/355772378.db2.gz LOCXTLDBABTFBF-YGRLFVJLSA-N 1 1 308.334 1.584 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032863 355774923 /nfs/dbraw/zinc/77/49/23/355774923.db2.gz DAUUQBMDOSPIEV-UHFFFAOYSA-N 1 1 323.349 1.386 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857401 356025745 /nfs/dbraw/zinc/02/57/45/356025745.db2.gz ZNEZWWRAGJVQAM-CYBMUJFWSA-N 1 1 319.361 1.103 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857401 356025747 /nfs/dbraw/zinc/02/57/47/356025747.db2.gz ZNEZWWRAGJVQAM-CYBMUJFWSA-N 1 1 319.361 1.103 20 5 DDBDMO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CC(C)C1 ZINC000594360114 356181994 /nfs/dbraw/zinc/18/19/94/356181994.db2.gz DKNGJRPVYKRVCT-LBPRGKRZSA-N 1 1 319.361 1.656 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594357516 356182016 /nfs/dbraw/zinc/18/20/16/356182016.db2.gz OSMOWHWMNQZRJQ-CYBMUJFWSA-N 1 1 305.378 1.938 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594604527 356262445 /nfs/dbraw/zinc/26/24/45/356262445.db2.gz XHYHPDJBCLKTQL-NWDGAFQWSA-N 1 1 322.365 1.032 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019556 356372771 /nfs/dbraw/zinc/37/27/71/356372771.db2.gz QXZWBVXBCNAQGA-QWHCGFSZSA-N 1 1 323.393 1.975 20 5 DDBDMO COCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019556 356372772 /nfs/dbraw/zinc/37/27/72/356372772.db2.gz QXZWBVXBCNAQGA-QWHCGFSZSA-N 1 1 323.393 1.975 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOCC[NH+](C)C ZINC000595038977 356375128 /nfs/dbraw/zinc/37/51/28/356375128.db2.gz AAJJADUMYWULLR-LBPRGKRZSA-N 1 1 311.382 1.832 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595387620 356474461 /nfs/dbraw/zinc/47/44/61/356474461.db2.gz FWHIGYOCGWFEMY-AWEZNQCLSA-N 1 1 309.341 1.640 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595551446 356546356 /nfs/dbraw/zinc/54/63/56/356546356.db2.gz LZMGPXFKDXOHES-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556695 192292101 /nfs/dbraw/zinc/29/21/01/192292101.db2.gz SXDVPVAYEIDZFY-MNOVXSKESA-N 1 1 322.365 1.236 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595745623 356633480 /nfs/dbraw/zinc/63/34/80/356633480.db2.gz YSSWJUZDQKGQDK-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595769522 356645122 /nfs/dbraw/zinc/64/51/22/356645122.db2.gz JJRAVAQVHYVWTM-IINYFYTJSA-N 1 1 308.334 1.807 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595821787 356663597 /nfs/dbraw/zinc/66/35/97/356663597.db2.gz GCCCJJGFSNILQH-UHFFFAOYSA-N 1 1 306.366 1.682 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595826784 356666170 /nfs/dbraw/zinc/66/61/70/356666170.db2.gz IOEKLKUNKQGBAJ-JSGCOSHPSA-N 1 1 320.345 1.850 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595864530 356682907 /nfs/dbraw/zinc/68/29/07/356682907.db2.gz BQCZIXPAKAMREY-INIZCTEOSA-N 1 1 305.378 1.626 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)C1 ZINC000596242810 356829696 /nfs/dbraw/zinc/82/96/96/356829696.db2.gz ZKLKYILTWWOEJI-HNNXBMFYSA-N 1 1 304.350 1.226 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000596267057 356838911 /nfs/dbraw/zinc/83/89/11/356838911.db2.gz VPRQCQFBWGCGJA-AOOOYVTPSA-N 1 1 312.757 1.340 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000597856817 357360266 /nfs/dbraw/zinc/36/02/66/357360266.db2.gz AQPXHTWZPZPRBO-NSHDSACASA-N 1 1 309.370 1.170 20 5 DDBDMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000597947572 357396319 /nfs/dbraw/zinc/39/63/19/357396319.db2.gz ZBUFXGKJFLTBDE-AWEZNQCLSA-N 1 1 305.378 1.998 20 5 DDBDMO COC(=O)c1ccnc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000598594688 357645512 /nfs/dbraw/zinc/64/55/12/357645512.db2.gz CKAUWZNABQWWCJ-UHFFFAOYSA-N 1 1 320.349 1.451 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598622117 357658152 /nfs/dbraw/zinc/65/81/52/357658152.db2.gz ZMUDIPLUJBQFMB-GFCCVEGCSA-N 1 1 322.365 1.553 20 5 DDBDMO Cc1cc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000599109915 357818395 /nfs/dbraw/zinc/81/83/95/357818395.db2.gz XMWFHKMZPXILGG-UHFFFAOYSA-N 1 1 310.423 1.648 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000599651349 358008463 /nfs/dbraw/zinc/00/84/63/358008463.db2.gz GIBFDOLTMLIIAC-WAAGHKOSSA-N 1 1 311.313 1.438 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599680546 358022457 /nfs/dbraw/zinc/02/24/57/358022457.db2.gz GBCFAVZVJLQRTJ-DDUYRFODSA-N 1 1 322.361 1.180 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470053 358233052 /nfs/dbraw/zinc/23/30/52/358233052.db2.gz DYRXFMAJAUKHBL-NSHDSACASA-N 1 1 307.354 1.075 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000600474011 358234835 /nfs/dbraw/zinc/23/48/35/358234835.db2.gz WCKNKPKIEPYOEG-LLVKDONJSA-N 1 1 307.354 1.075 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180838256 199216624 /nfs/dbraw/zinc/21/66/24/199216624.db2.gz XRPMOQFJBMVXQJ-VIFPVBQESA-N 1 1 307.306 1.005 20 5 DDBDMO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000601119849 358410379 /nfs/dbraw/zinc/41/03/79/358410379.db2.gz XQYMOFLRNWMYCT-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601136472 358416747 /nfs/dbraw/zinc/41/67/47/358416747.db2.gz FLTNWQYPPPAFOG-JGVFFNPUSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601136472 358416750 /nfs/dbraw/zinc/41/67/50/358416750.db2.gz FLTNWQYPPPAFOG-JGVFFNPUSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000601151288 358423258 /nfs/dbraw/zinc/42/32/58/358423258.db2.gz VJMKLFZJPNBAKO-SNVBAGLBSA-N 1 1 312.345 1.410 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000601183698 358437749 /nfs/dbraw/zinc/43/77/49/358437749.db2.gz CNTFDKHEURFBIN-NEPJUHHUSA-N 1 1 313.361 1.926 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])s1 ZINC000601434229 358551678 /nfs/dbraw/zinc/55/16/78/358551678.db2.gz NOIKOOXFYAHVGA-VIFPVBQESA-N 1 1 319.408 1.195 20 5 DDBDMO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000602174238 358863592 /nfs/dbraw/zinc/86/35/92/358863592.db2.gz SQUSVGQQXAZXRV-CHWSQXEVSA-N 1 1 307.350 1.759 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH2+]CCCCN2CCOCC2)cc1 ZINC000602514852 359021246 /nfs/dbraw/zinc/02/12/46/359021246.db2.gz RBGSCAUTNMANOG-UHFFFAOYSA-N 1 1 307.394 1.839 20 5 DDBDMO CO[C@]1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472602 359001456 /nfs/dbraw/zinc/00/14/56/359001456.db2.gz JBTCOSOISMCYIR-DOMZBBRYSA-N 1 1 322.365 1.282 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000602669469 359115147 /nfs/dbraw/zinc/11/51/47/359115147.db2.gz XOAODBILAHYYAQ-CHWSQXEVSA-N 1 1 308.382 1.967 20 5 DDBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CN(C)CCO1 ZINC000602575400 359051421 /nfs/dbraw/zinc/05/14/21/359051421.db2.gz HJBNSAKSFUQUQE-QMTHXVAHSA-N 1 1 320.349 1.545 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000602835137 359226800 /nfs/dbraw/zinc/22/68/00/359226800.db2.gz XVKOMGXTCAAMNZ-GXTWGEPZSA-N 1 1 308.382 1.989 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602829546 359221545 /nfs/dbraw/zinc/22/15/45/359221545.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 1 1 307.398 1.657 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602829546 359221551 /nfs/dbraw/zinc/22/15/51/359221551.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 1 1 307.398 1.657 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000186778602 200009349 /nfs/dbraw/zinc/00/93/49/200009349.db2.gz WIGVZTKVJHAXBD-UHFFFAOYSA-N 1 1 321.377 1.987 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187041817 200051328 /nfs/dbraw/zinc/05/13/28/200051328.db2.gz OYZNXPGTUOUNDN-NSHDSACASA-N 1 1 322.365 1.546 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187273286 200087109 /nfs/dbraw/zinc/08/71/09/200087109.db2.gz QOMOFGOVFPBIEH-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000609268853 360286112 /nfs/dbraw/zinc/28/61/12/360286112.db2.gz GPOWWALPDFSGAM-LBPRGKRZSA-N 1 1 322.365 1.139 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)C1 ZINC000609672351 360342638 /nfs/dbraw/zinc/34/26/38/360342638.db2.gz BFBVSPAOFBYEFH-AWEZNQCLSA-N 1 1 324.450 1.868 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609479006 360311070 /nfs/dbraw/zinc/31/10/70/360311070.db2.gz HJXOLPJPVPIJDT-JTQLQIEISA-N 1 1 307.354 1.094 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609476806 360311197 /nfs/dbraw/zinc/31/11/97/360311197.db2.gz VPQJTNKWJOMZQG-VIFPVBQESA-N 1 1 307.354 1.237 20 5 DDBDMO CCn1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000609826089 360352854 /nfs/dbraw/zinc/35/28/54/360352854.db2.gz QHXKWIAZPGWLAQ-UHFFFAOYSA-N 1 1 318.333 1.872 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOCC3CC3)CC2)cn1 ZINC000610212751 360390631 /nfs/dbraw/zinc/39/06/31/360390631.db2.gz XBJVUDVIYVMJLI-UHFFFAOYSA-N 1 1 306.366 1.538 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000609846189 360354694 /nfs/dbraw/zinc/35/46/94/360354694.db2.gz XDHYDNUCYYVJDS-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000609846189 360354700 /nfs/dbraw/zinc/35/47/00/360354700.db2.gz XDHYDNUCYYVJDS-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000610367653 360423244 /nfs/dbraw/zinc/42/32/44/360423244.db2.gz PRLKUQMPLYNZDW-HNNXBMFYSA-N 1 1 308.382 1.949 20 5 DDBDMO CC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092301 360621725 /nfs/dbraw/zinc/62/17/25/360621725.db2.gz ODQPXSBFMFBKHQ-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2cn[nH]c2C1 ZINC000612104123 360921139 /nfs/dbraw/zinc/92/11/39/360921139.db2.gz CAFQKZNNNVDNCK-GFCCVEGCSA-N 1 1 318.333 1.116 20 5 DDBDMO CNc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613235006 361341970 /nfs/dbraw/zinc/34/19/70/361341970.db2.gz LBZPWBGKJCSWPO-MFKMUULPSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613235006 361341975 /nfs/dbraw/zinc/34/19/75/361341975.db2.gz LBZPWBGKJCSWPO-MFKMUULPSA-N 1 1 322.365 1.085 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CNc2ccnn2C1 ZINC000619265364 363953688 /nfs/dbraw/zinc/95/36/88/363953688.db2.gz QBTOUDLFZQLZEA-LBPRGKRZSA-N 1 1 301.350 1.965 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000271763063 209191684 /nfs/dbraw/zinc/19/16/84/209191684.db2.gz PFPYHVIJNFOAMJ-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288205025 220017070 /nfs/dbraw/zinc/01/70/70/220017070.db2.gz CAXGOXISPFUSLE-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CCCN(CC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000104530796 194013999 /nfs/dbraw/zinc/01/39/99/194013999.db2.gz AWTPZUJSPCGTHO-UHFFFAOYSA-N 1 1 319.365 1.885 20 5 DDBDMO Cc1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000284719166 218147836 /nfs/dbraw/zinc/14/78/36/218147836.db2.gz UTHHUGJRDMOMSA-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@H](CO)[N@@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339116765 250301282 /nfs/dbraw/zinc/30/12/82/250301282.db2.gz BCWQEHFEBFOJOR-GFCCVEGCSA-N 1 1 309.366 1.189 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339116765 250301284 /nfs/dbraw/zinc/30/12/84/250301284.db2.gz BCWQEHFEBFOJOR-GFCCVEGCSA-N 1 1 309.366 1.189 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000339138255 250310084 /nfs/dbraw/zinc/31/00/84/250310084.db2.gz ZTPJQTQEMANPEP-GFCCVEGCSA-N 1 1 307.350 1.833 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000567435192 304218558 /nfs/dbraw/zinc/21/85/58/304218558.db2.gz JPFVJIOMRYWUKH-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000106401011 194207840 /nfs/dbraw/zinc/20/78/40/194207840.db2.gz KSAMPHPOZUEKAY-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285202322 218330923 /nfs/dbraw/zinc/33/09/23/218330923.db2.gz OVLGHGZQVVSING-PHIMTYICSA-N 1 1 309.370 1.416 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791617 194253348 /nfs/dbraw/zinc/25/33/48/194253348.db2.gz RUYWCFUMTFOBIK-LBPRGKRZSA-N 1 1 318.377 1.924 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340792998 251215232 /nfs/dbraw/zinc/21/52/32/251215232.db2.gz RSKKZYYRHIROAK-OCCSQVGLSA-N 1 1 312.366 1.426 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066137776 184392474 /nfs/dbraw/zinc/39/24/74/184392474.db2.gz NYNBOBGREXTQHP-JTQLQIEISA-N 1 1 324.337 1.963 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352425675 285041713 /nfs/dbraw/zinc/04/17/13/285041713.db2.gz MORRKXVFAZCYDC-CQSZACIVSA-N 1 1 321.377 1.952 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000296032887 285166002 /nfs/dbraw/zinc/16/60/02/285166002.db2.gz OHSYDVYVSNWBPT-ZDUSSCGKSA-N 1 1 304.350 1.805 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000248374767 285164283 /nfs/dbraw/zinc/16/42/83/285164283.db2.gz TYTJKUCFSCMHCS-OLZOCXBDSA-N 1 1 310.350 1.039 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352659517 285204027 /nfs/dbraw/zinc/20/40/27/285204027.db2.gz NQFRHLXOIABREJ-GXTWGEPZSA-N 1 1 310.350 1.827 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC000413396576 224188650 /nfs/dbraw/zinc/18/86/50/224188650.db2.gz FFCQPBMEDFZSBD-UHFFFAOYSA-N 1 1 321.377 1.888 20 5 DDBDMO COCCCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419378135 533252111 /nfs/dbraw/zinc/25/21/11/533252111.db2.gz DCLDEVFYBYMZNF-UHFFFAOYSA-N 1 1 309.366 1.916 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299441402 533665903 /nfs/dbraw/zinc/66/59/03/533665903.db2.gz KJQYUKBEXOGCRX-VIFPVBQESA-N 1 1 307.310 1.252 20 5 DDBDMO C[C@H](CO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499269 285771367 /nfs/dbraw/zinc/77/13/67/285771367.db2.gz CSPAYDOANSEHGE-SMDDNHRTSA-N 1 1 304.350 1.636 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000026711249 406906197 /nfs/dbraw/zinc/90/61/97/406906197.db2.gz RNABSOVOMPQBII-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000026711249 406906198 /nfs/dbraw/zinc/90/61/98/406906198.db2.gz RNABSOVOMPQBII-SCRDCRAPSA-N 1 1 310.350 1.444 20 5 DDBDMO CC[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000076413451 406967838 /nfs/dbraw/zinc/96/78/38/406967838.db2.gz GXYLFMRRCKOACI-UHFFFAOYSA-N 1 1 317.349 1.782 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000077389314 406989062 /nfs/dbraw/zinc/98/90/62/406989062.db2.gz BSTJBDGJPSPGDN-UHFFFAOYSA-N 1 1 319.408 1.419 20 5 DDBDMO CC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055897376 407207742 /nfs/dbraw/zinc/20/77/42/407207742.db2.gz WIRPTCDEBRCVHE-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[C@]1(O)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000124134788 407349856 /nfs/dbraw/zinc/34/98/56/407349856.db2.gz VBHZHDNBKSZFOV-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000124134788 407349858 /nfs/dbraw/zinc/34/98/58/407349858.db2.gz VBHZHDNBKSZFOV-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000103283666 407336315 /nfs/dbraw/zinc/33/63/15/407336315.db2.gz ROGFRWFIJNZMQZ-STQMWFEESA-N 1 1 321.377 1.950 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124811744 407370225 /nfs/dbraw/zinc/37/02/25/407370225.db2.gz LLPVMHOMXAFNEL-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000125403060 407387259 /nfs/dbraw/zinc/38/72/59/407387259.db2.gz UXESFWBEDMCUAC-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107892518 407381133 /nfs/dbraw/zinc/38/11/33/407381133.db2.gz AGVLSJVTKKGBLC-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170782846 407503009 /nfs/dbraw/zinc/50/30/09/407503009.db2.gz SMJDWJYNUCIBBU-NSHDSACASA-N 1 1 322.365 1.298 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271087333 407507600 /nfs/dbraw/zinc/50/76/00/407507600.db2.gz HHESQRVOXDFPQW-GFCCVEGCSA-N 1 1 323.397 1.570 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185973960 407557685 /nfs/dbraw/zinc/55/76/85/407557685.db2.gz PTKVMDNXRUNWII-ZFWWWQNUSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000185973960 407557691 /nfs/dbraw/zinc/55/76/91/407557691.db2.gz PTKVMDNXRUNWII-ZFWWWQNUSA-N 1 1 307.350 1.358 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111909 407532472 /nfs/dbraw/zinc/53/24/72/407532472.db2.gz VGVKNXXJQLGLJW-MWLCHTKSSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111909 407532478 /nfs/dbraw/zinc/53/24/78/407532478.db2.gz VGVKNXXJQLGLJW-MWLCHTKSSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000266111909 407532484 /nfs/dbraw/zinc/53/24/84/407532484.db2.gz VGVKNXXJQLGLJW-MWLCHTKSSA-N 1 1 309.370 1.429 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114063542 407540099 /nfs/dbraw/zinc/54/00/99/407540099.db2.gz BYOAASGWJBPKBY-LLVKDONJSA-N 1 1 323.349 1.664 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271152508 407540366 /nfs/dbraw/zinc/54/03/66/407540366.db2.gz ITQUOXXUPVTEFU-AWEZNQCLSA-N 1 1 309.366 1.332 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000266715973 407612092 /nfs/dbraw/zinc/61/20/92/407612092.db2.gz FZJDZVBFMYRHMB-CMPLNLGQSA-N 1 1 309.366 1.933 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000271347250 407647641 /nfs/dbraw/zinc/64/76/41/407647641.db2.gz PGOWBHLFANAJPY-GWCFXTLKSA-N 1 1 310.350 1.815 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000115439649 407681379 /nfs/dbraw/zinc/68/13/79/407681379.db2.gz SATXPXGZKKXFRT-ZDUSSCGKSA-N 1 1 320.393 1.807 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142542 407682708 /nfs/dbraw/zinc/68/27/08/407682708.db2.gz CETQWCZGDSOHQG-UHFFFAOYSA-N 1 1 306.771 1.773 20 5 DDBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130384221 407683938 /nfs/dbraw/zinc/68/39/38/407683938.db2.gz KIRUGGZGXTZFRZ-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1ncsc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179213160 407756018 /nfs/dbraw/zinc/75/60/18/407756018.db2.gz PSFOHTFZIMZMGB-UHFFFAOYSA-N 1 1 308.363 1.653 20 5 DDBDMO Cc1ncsc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000179213160 407756022 /nfs/dbraw/zinc/75/60/22/407756022.db2.gz PSFOHTFZIMZMGB-UHFFFAOYSA-N 1 1 308.363 1.653 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000171809616 407773379 /nfs/dbraw/zinc/77/33/79/407773379.db2.gz QRLBGLQSJMWMTL-UHFFFAOYSA-N 1 1 309.370 1.294 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000267251694 407806009 /nfs/dbraw/zinc/80/60/09/407806009.db2.gz OGZHVLCMIJJICC-UHFFFAOYSA-N 1 1 304.310 1.199 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272327758 407870406 /nfs/dbraw/zinc/87/04/06/407870406.db2.gz MWTBJAVEHRDNLF-UHFFFAOYSA-N 1 1 321.333 1.491 20 5 DDBDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173801517 407897765 /nfs/dbraw/zinc/89/77/65/407897765.db2.gz GLQMLHMIUYTUQV-WBMJQRKESA-N 1 1 316.361 1.599 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154060434 407966447 /nfs/dbraw/zinc/96/64/47/407966447.db2.gz OOHUVZBFGXWWDP-AWEZNQCLSA-N 1 1 321.377 1.772 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000268276226 407981401 /nfs/dbraw/zinc/98/14/01/407981401.db2.gz WGHODFVLYIRGOD-XHDPSFHLSA-N 1 1 303.362 1.736 20 5 DDBDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000190451049 408247575 /nfs/dbraw/zinc/24/75/75/408247575.db2.gz QSXMNISTQQEOBK-JTQLQIEISA-N 1 1 309.391 1.879 20 5 DDBDMO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246736799 408327601 /nfs/dbraw/zinc/32/76/01/408327601.db2.gz FXMPYNZSXRJGBW-JSGCOSHPSA-N 1 1 321.377 1.512 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086678 408282535 /nfs/dbraw/zinc/28/25/35/408282535.db2.gz RFVXITRVHUGMQD-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086678 408282542 /nfs/dbraw/zinc/28/25/42/408282542.db2.gz RFVXITRVHUGMQD-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000176086678 408282544 /nfs/dbraw/zinc/28/25/44/408282544.db2.gz RFVXITRVHUGMQD-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000269390663 408291894 /nfs/dbraw/zinc/29/18/94/408291894.db2.gz RHAFSSABJVZSFO-MNOVXSKESA-N 1 1 321.381 1.798 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263902013 408307185 /nfs/dbraw/zinc/30/71/85/408307185.db2.gz BQWOQZPEQPAXAJ-SECBINFHSA-N 1 1 316.321 1.196 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196548 408348868 /nfs/dbraw/zinc/34/88/68/408348868.db2.gz QYLOCRBARMMPDC-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549192 408351086 /nfs/dbraw/zinc/35/10/86/408351086.db2.gz XJARPNMCFVNIPB-QWRGUYRKSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549192 408351092 /nfs/dbraw/zinc/35/10/92/408351092.db2.gz XJARPNMCFVNIPB-QWRGUYRKSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549192 408351095 /nfs/dbraw/zinc/35/10/95/408351095.db2.gz XJARPNMCFVNIPB-QWRGUYRKSA-N 1 1 323.397 1.854 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000171807615 162243286 /nfs/dbraw/zinc/24/32/86/162243286.db2.gz FWNHPVVADIPLJZ-SNVBAGLBSA-N 1 1 307.354 1.191 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159532989 408414429 /nfs/dbraw/zinc/41/44/29/408414429.db2.gz BNBSKHRHMQIHPM-JSGCOSHPSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159532989 408414437 /nfs/dbraw/zinc/41/44/37/408414437.db2.gz BNBSKHRHMQIHPM-JSGCOSHPSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000274526537 408439231 /nfs/dbraw/zinc/43/92/31/408439231.db2.gz XSVCGDVLLBPTMK-ZDUSSCGKSA-N 1 1 307.398 1.736 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000247707397 408505182 /nfs/dbraw/zinc/50/51/82/408505182.db2.gz ZHBOBZRHYAULQB-HZPDHXFCSA-N 1 1 320.393 1.975 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248441389 408565020 /nfs/dbraw/zinc/56/50/20/408565020.db2.gz DQGXXAUHODJIDV-HZSPNIEDSA-N 1 1 324.377 1.570 20 5 DDBDMO COc1cc(C[N@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])cc1F ZINC000184239158 408575508 /nfs/dbraw/zinc/57/55/08/408575508.db2.gz RFOYNCLXWFNORO-UHFFFAOYSA-N 1 1 316.329 1.165 20 5 DDBDMO COc1cc(C[N@@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])cc1F ZINC000184239158 408575513 /nfs/dbraw/zinc/57/55/13/408575513.db2.gz RFOYNCLXWFNORO-UHFFFAOYSA-N 1 1 316.329 1.165 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCC1 ZINC000184383712 408602132 /nfs/dbraw/zinc/60/21/32/408602132.db2.gz UFXWIHPJMTUUSD-UHFFFAOYSA-N 1 1 307.354 1.176 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192506102 408600717 /nfs/dbraw/zinc/60/07/17/408600717.db2.gz DXDULVNLEWDGIB-RNBGUABESA-N 1 1 301.346 1.628 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)C2CCOCC2)c1 ZINC000275615712 408620236 /nfs/dbraw/zinc/62/02/36/408620236.db2.gz SZXRRCRUZUXBID-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000184453445 408620396 /nfs/dbraw/zinc/62/03/96/408620396.db2.gz XTUUMZBHAFCUBC-ZDUSSCGKSA-N 1 1 324.381 1.845 20 5 DDBDMO CC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796398 408715638 /nfs/dbraw/zinc/71/56/38/408715638.db2.gz QNEJPXFNMUPRQG-UONOGXRCSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796398 408715645 /nfs/dbraw/zinc/71/56/45/408715645.db2.gz QNEJPXFNMUPRQG-UONOGXRCSA-N 1 1 307.350 1.493 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756983 408772575 /nfs/dbraw/zinc/77/25/75/408772575.db2.gz GITOOJMKOJQUNZ-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183489 408775642 /nfs/dbraw/zinc/77/56/42/408775642.db2.gz NWUZMFDDRQWAGM-GHMZBOCLSA-N 1 1 309.341 1.905 20 5 DDBDMO O=C(CC[N@H+](CCO)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000281948426 408959033 /nfs/dbraw/zinc/95/90/33/408959033.db2.gz FKRIWPOPCUFQMI-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246122141 163458788 /nfs/dbraw/zinc/45/87/88/163458788.db2.gz NMZBZPAPDWCOTL-UKRRQHHQSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCC1 ZINC000292261202 409011838 /nfs/dbraw/zinc/01/18/38/409011838.db2.gz YRJZBCFBZHUFDC-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CO)CCC1 ZINC000292261202 409011841 /nfs/dbraw/zinc/01/18/41/409011841.db2.gz YRJZBCFBZHUFDC-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000287306780 409016307 /nfs/dbraw/zinc/01/63/07/409016307.db2.gz UNXZXRSNFZCFKW-IAQYHMDHSA-N 1 1 319.361 1.999 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](O)CC3)n2)cc1 ZINC000293269559 409079606 /nfs/dbraw/zinc/07/96/06/409079606.db2.gz UVRDGSZVUWRKOD-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](O)CC3)n2)cc1 ZINC000293269559 409079610 /nfs/dbraw/zinc/07/96/10/409079610.db2.gz UVRDGSZVUWRKOD-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000283411235 409151559 /nfs/dbraw/zinc/15/15/59/409151559.db2.gz HYTWVARPICUUDJ-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H](C)[N@H+]1C ZINC000294115413 409243096 /nfs/dbraw/zinc/24/30/96/409243096.db2.gz ZIRXMKIUXDDCJZ-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@H](C)[N@@H+]1C ZINC000294115413 409243098 /nfs/dbraw/zinc/24/30/98/409243098.db2.gz ZIRXMKIUXDDCJZ-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCN1CCN(C)CC1 ZINC000289375225 409256844 /nfs/dbraw/zinc/25/68/44/409256844.db2.gz BSFDQNHTOCTOFF-UHFFFAOYSA-N 1 1 320.437 1.973 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCN1CCN(C)CC1 ZINC000289375225 409256846 /nfs/dbraw/zinc/25/68/46/409256846.db2.gz BSFDQNHTOCTOFF-UHFFFAOYSA-N 1 1 320.437 1.973 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355625 409297875 /nfs/dbraw/zinc/29/78/75/409297875.db2.gz INBBEKHMKYFMFE-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000280355625 409297878 /nfs/dbraw/zinc/29/78/78/409297878.db2.gz INBBEKHMKYFMFE-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CC(N)=O)c1ccccc1 ZINC000280552668 409356219 /nfs/dbraw/zinc/35/62/19/409356219.db2.gz QOLNLTLCHXZCDS-CYBMUJFWSA-N 1 1 317.349 1.340 20 5 DDBDMO C[C@@H]1CCOCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280173 164169399 /nfs/dbraw/zinc/16/93/99/164169399.db2.gz JMGOGFHUOUVIAQ-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354081312 409636388 /nfs/dbraw/zinc/63/63/88/409636388.db2.gz DAJYRUQQQBEKJD-UHFFFAOYSA-N 1 1 309.370 1.079 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000345043248 409602873 /nfs/dbraw/zinc/60/28/73/409602873.db2.gz GIYCFNXHGKJRRY-JTQLQIEISA-N 1 1 314.773 1.536 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000296923781 409709262 /nfs/dbraw/zinc/70/92/62/409709262.db2.gz AVFAXAYQNGQORS-GFCCVEGCSA-N 1 1 309.370 1.240 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000342783807 409903838 /nfs/dbraw/zinc/90/38/38/409903838.db2.gz JUWLTVCTVIYAHA-FOSCPWQOSA-N 1 1 321.381 1.508 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000317099097 409862583 /nfs/dbraw/zinc/86/25/83/409862583.db2.gz BIAQNKFBILJHQE-PWSUYJOCSA-N 1 1 306.366 1.849 20 5 DDBDMO O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000342758492 409883799 /nfs/dbraw/zinc/88/37/99/409883799.db2.gz XMEWIDYOTRAFNV-JTQLQIEISA-N 1 1 311.288 1.729 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342870934 409962437 /nfs/dbraw/zinc/96/24/37/409962437.db2.gz BXMBYNJVOBLLNZ-SNVBAGLBSA-N 1 1 302.334 1.758 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342880489 409968843 /nfs/dbraw/zinc/96/88/43/409968843.db2.gz IYAOBOMUWNYMKK-UHFFFAOYSA-N 1 1 320.349 1.384 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000354623294 409973687 /nfs/dbraw/zinc/97/36/87/409973687.db2.gz MBAQRRFIYKJIDQ-SNVBAGLBSA-N 1 1 311.363 1.110 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000354623294 409973693 /nfs/dbraw/zinc/97/36/93/409973693.db2.gz MBAQRRFIYKJIDQ-SNVBAGLBSA-N 1 1 311.363 1.110 20 5 DDBDMO COC(=O)c1cc(C(=O)NCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000338422076 409976255 /nfs/dbraw/zinc/97/62/55/409976255.db2.gz KZAJMCMROABGQD-UHFFFAOYSA-N 1 1 323.349 1.451 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354630933 409979779 /nfs/dbraw/zinc/97/97/79/409979779.db2.gz WRYSSJZDLMOFIV-UHFFFAOYSA-N 1 1 315.395 1.605 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339322364 410089922 /nfs/dbraw/zinc/08/99/22/410089922.db2.gz ZPEPUSSEUVKUTB-KCQAQPDRSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@H]1CN(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000332585872 410185049 /nfs/dbraw/zinc/18/50/49/410185049.db2.gz HRAPPWSIXVKDJF-LBPRGKRZSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@H]1CN(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000332585872 410185053 /nfs/dbraw/zinc/18/50/53/410185053.db2.gz HRAPPWSIXVKDJF-LBPRGKRZSA-N 1 1 306.366 1.069 20 5 DDBDMO CN(C)c1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000357827414 410274577 /nfs/dbraw/zinc/27/45/77/410274577.db2.gz NDCPQUULQMCLJW-UHFFFAOYSA-N 1 1 315.333 1.850 20 5 DDBDMO CCOc1ccc([C@H](C)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358251982 410419917 /nfs/dbraw/zinc/41/99/17/410419917.db2.gz NDFMMNRJFANMOT-LRDDRELGSA-N 1 1 323.393 1.711 20 5 DDBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358251982 410419923 /nfs/dbraw/zinc/41/99/23/410419923.db2.gz NDFMMNRJFANMOT-LRDDRELGSA-N 1 1 323.393 1.711 20 5 DDBDMO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000347313628 410463863 /nfs/dbraw/zinc/46/38/63/410463863.db2.gz IIUHGGSENQCYKO-SUIFULHWSA-N 1 1 321.377 1.820 20 5 DDBDMO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000347313628 410463865 /nfs/dbraw/zinc/46/38/65/410463865.db2.gz IIUHGGSENQCYKO-SUIFULHWSA-N 1 1 321.377 1.820 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299015268 410486109 /nfs/dbraw/zinc/48/61/09/410486109.db2.gz QQVBMPDLQAPTEH-UHFFFAOYSA-N 1 1 302.334 1.849 20 5 DDBDMO COC1CC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000352231084 410565730 /nfs/dbraw/zinc/56/57/30/410565730.db2.gz ORGBHTCMHRWAQX-UHFFFAOYSA-N 1 1 307.350 1.951 20 5 DDBDMO COC1CC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000352231084 410565735 /nfs/dbraw/zinc/56/57/35/410565735.db2.gz ORGBHTCMHRWAQX-UHFFFAOYSA-N 1 1 307.350 1.951 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299246880 410578328 /nfs/dbraw/zinc/57/83/28/410578328.db2.gz ZNZYZGNMRJXYML-UHFFFAOYSA-N 1 1 307.350 1.389 20 5 DDBDMO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCOCC1 ZINC000301124062 410662218 /nfs/dbraw/zinc/66/22/18/410662218.db2.gz VDTKCSOLLJFGJV-NSHDSACASA-N 1 1 324.385 1.126 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301212218 410679000 /nfs/dbraw/zinc/67/90/00/410679000.db2.gz XLTXFZYIEXFZKO-JTQLQIEISA-N 1 1 319.365 1.518 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330572847 410788913 /nfs/dbraw/zinc/78/89/13/410788913.db2.gz DTAOXANNMQNKOY-OLZOCXBDSA-N 1 1 320.393 1.866 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)[N@H+](C)C1 ZINC000330586910 410801430 /nfs/dbraw/zinc/80/14/30/410801430.db2.gz WZWRLYRPSQCZLL-JSGCOSHPSA-N 1 1 307.350 1.239 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)[N@@H+](C)C1 ZINC000330586910 410801445 /nfs/dbraw/zinc/80/14/45/410801445.db2.gz WZWRLYRPSQCZLL-JSGCOSHPSA-N 1 1 307.350 1.239 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000344054460 410923116 /nfs/dbraw/zinc/92/31/16/410923116.db2.gz IXZSRJJQWUKLAJ-WHOFXGATSA-N 1 1 322.361 1.685 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331113754 410957805 /nfs/dbraw/zinc/95/78/05/410957805.db2.gz JKJYWGGVMMUSOP-SECBINFHSA-N 1 1 313.304 1.578 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331113754 410957807 /nfs/dbraw/zinc/95/78/07/410957807.db2.gz JKJYWGGVMMUSOP-SECBINFHSA-N 1 1 313.304 1.578 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000331125793 410965255 /nfs/dbraw/zinc/96/52/55/410965255.db2.gz HQRADMAHUDFHLH-OAHLLOKOSA-N 1 1 321.377 1.772 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359947545 410966270 /nfs/dbraw/zinc/96/62/70/410966270.db2.gz BSOFMWVIXBKDJG-JTQLQIEISA-N 1 1 308.338 1.300 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360221014 411106023 /nfs/dbraw/zinc/10/60/23/411106023.db2.gz CKHJPGCUOBCYFM-RBSFLKMASA-N 1 1 309.410 1.766 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccccc3[C@H]2CO)n1 ZINC000130866097 196117960 /nfs/dbraw/zinc/11/79/60/196117960.db2.gz SOMAIPSBEVAFIL-CQSZACIVSA-N 1 1 302.334 1.383 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362068728 307012606 /nfs/dbraw/zinc/01/26/06/307012606.db2.gz CPMRGUWYRXHPAV-VXGBXAGGSA-N 1 1 307.350 1.118 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000134065998 196358434 /nfs/dbraw/zinc/35/84/34/196358434.db2.gz IBGZSPCMMYGAPS-CYBMUJFWSA-N 1 1 321.377 1.601 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000360449309 418438317 /nfs/dbraw/zinc/43/83/17/418438317.db2.gz QIGNIUMJCHXUHA-UHFFFAOYSA-N 1 1 320.393 1.981 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCCn2cc[nH+]c2C)n1 ZINC000191864067 222111331 /nfs/dbraw/zinc/11/13/31/222111331.db2.gz FPONZRNHAATEPV-UHFFFAOYSA-N 1 1 320.353 1.478 20 5 DDBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195190702 222193199 /nfs/dbraw/zinc/19/31/99/222193199.db2.gz XAOYPCVFGWFEDS-GFCCVEGCSA-N 1 1 314.345 1.996 20 5 DDBDMO CO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371884 418639130 /nfs/dbraw/zinc/63/91/30/418639130.db2.gz JEAOLWLJVZJYHA-ZIAGYGMSSA-N 1 1 305.334 1.421 20 5 DDBDMO CO[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361371884 418639131 /nfs/dbraw/zinc/63/91/31/418639131.db2.gz JEAOLWLJVZJYHA-ZIAGYGMSSA-N 1 1 305.334 1.421 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588125 418687897 /nfs/dbraw/zinc/68/78/97/418687897.db2.gz XQZHCFNGGAAHAH-BBRMVZONSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056013 418783871 /nfs/dbraw/zinc/78/38/71/418783871.db2.gz ZXDBQFPOGNWTQW-GHMZBOCLSA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056013 418783873 /nfs/dbraw/zinc/78/38/73/418783873.db2.gz ZXDBQFPOGNWTQW-GHMZBOCLSA-N 1 1 307.354 1.027 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000371372159 418785536 /nfs/dbraw/zinc/78/55/36/418785536.db2.gz VTLXCJRIQNWDBQ-CQSZACIVSA-N 1 1 315.333 1.094 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000371372159 418785538 /nfs/dbraw/zinc/78/55/38/418785538.db2.gz VTLXCJRIQNWDBQ-CQSZACIVSA-N 1 1 315.333 1.094 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408102231 418787388 /nfs/dbraw/zinc/78/73/88/418787388.db2.gz BYOHAAPZWDSVHM-VIFPVBQESA-N 1 1 303.322 1.384 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000364924586 418822838 /nfs/dbraw/zinc/82/28/38/418822838.db2.gz AXJYWWQSPNTYKW-SNPRPXQTSA-N 1 1 303.362 1.723 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000420968514 419391026 /nfs/dbraw/zinc/39/10/26/419391026.db2.gz CBAUIEUKQBPRAV-LLVKDONJSA-N 1 1 307.350 1.561 20 5 DDBDMO Cc1c(CNC(=O)NCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000418085312 419520610 /nfs/dbraw/zinc/52/06/10/419520610.db2.gz XOMLLGPWYWEQOW-UHFFFAOYSA-N 1 1 302.281 1.296 20 5 DDBDMO COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418106336 419534308 /nfs/dbraw/zinc/53/43/08/419534308.db2.gz CDQSITYMUYCZLW-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421237753 419534731 /nfs/dbraw/zinc/53/47/31/419534731.db2.gz LBQFJLADEOKKBT-ZDUSSCGKSA-N 1 1 320.349 1.086 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418109209 419537423 /nfs/dbraw/zinc/53/74/23/419537423.db2.gz HXOVKGSHVRNCKP-IPKOWEFYSA-N 1 1 319.405 1.995 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1 ZINC000427780013 419733995 /nfs/dbraw/zinc/73/39/95/419733995.db2.gz QAOQVUQYCZQCJC-TXEJJXNPSA-N 1 1 307.325 1.296 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(F)(F)C[NH3+] ZINC000418527809 419858821 /nfs/dbraw/zinc/85/88/21/419858821.db2.gz UJVIKIKLDKQAPX-UHFFFAOYSA-N 1 1 302.281 1.330 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@H]2[C@@H](C)CCN[C@H]2C)c([N+](=O)[O-])c1 ZINC000420364685 420237706 /nfs/dbraw/zinc/23/77/06/420237706.db2.gz KLBYWHVIRVIXEP-MQIPJXDCSA-N 1 1 323.393 1.958 20 5 DDBDMO CNC(=O)c1ccc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420629993 420334541 /nfs/dbraw/zinc/33/45/41/420334541.db2.gz DATJHWNBJKYMSK-GFCCVEGCSA-N 1 1 306.366 1.485 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416493202 420392882 /nfs/dbraw/zinc/39/28/82/420392882.db2.gz CXVPPMXMZNOPII-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457070360 420601828 /nfs/dbraw/zinc/60/18/28/420601828.db2.gz GOGRTRSTWNPANE-UHFFFAOYSA-N 1 1 309.370 1.241 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000450957339 420569985 /nfs/dbraw/zinc/56/99/85/420569985.db2.gz UESGXLNEGPUQLI-JTQLQIEISA-N 1 1 307.354 1.008 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)o1 ZINC000459712828 420854982 /nfs/dbraw/zinc/85/49/82/420854982.db2.gz RTXHBDLSVLIVMA-XHDPSFHLSA-N 1 1 318.329 1.640 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459727664 420858397 /nfs/dbraw/zinc/85/83/97/420858397.db2.gz RADGWICRIFVNAM-WDBUWWRISA-N 1 1 306.362 1.817 20 5 DDBDMO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449749699 421075140 /nfs/dbraw/zinc/07/51/40/421075140.db2.gz GSJFRTDPOGCROD-NSHDSACASA-N 1 1 303.322 1.341 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000489396196 421152475 /nfs/dbraw/zinc/15/24/75/421152475.db2.gz MJYDABSNKUOQSS-CYBMUJFWSA-N 1 1 306.366 1.589 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000450388645 421191161 /nfs/dbraw/zinc/19/11/61/421191161.db2.gz IKMBISLBKFSKEU-GXTWGEPZSA-N 1 1 321.381 1.240 20 5 DDBDMO COc1ccc(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000525524752 421292674 /nfs/dbraw/zinc/29/26/74/421292674.db2.gz JHXJAXUSJHUEMV-CYBMUJFWSA-N 1 1 321.377 1.699 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548442488 421439354 /nfs/dbraw/zinc/43/93/54/421439354.db2.gz AIPCYKFBIHBBSO-OAHLLOKOSA-N 1 1 308.334 1.267 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548442488 421439358 /nfs/dbraw/zinc/43/93/58/421439358.db2.gz AIPCYKFBIHBBSO-OAHLLOKOSA-N 1 1 308.334 1.267 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCC2)O1 ZINC000563080878 421452593 /nfs/dbraw/zinc/45/25/93/421452593.db2.gz IHAQWKIPSPSCOG-LBPRGKRZSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCC2)O1 ZINC000563080878 421452594 /nfs/dbraw/zinc/45/25/94/421452594.db2.gz IHAQWKIPSPSCOG-LBPRGKRZSA-N 1 1 307.350 1.400 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482988 421635207 /nfs/dbraw/zinc/63/52/07/421635207.db2.gz JXPUARZCZCYKNO-CMPLNLGQSA-N 1 1 318.377 1.992 20 5 DDBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000532392317 421659294 /nfs/dbraw/zinc/65/92/94/421659294.db2.gz FAFPLQLMYCMIDW-UHFFFAOYSA-N 1 1 310.273 1.823 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1(C)C ZINC000574583341 422140242 /nfs/dbraw/zinc/14/02/42/422140242.db2.gz IBVJICAEIAQGTL-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1(C)C ZINC000574583341 422140243 /nfs/dbraw/zinc/14/02/43/422140243.db2.gz IBVJICAEIAQGTL-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000574857980 422196282 /nfs/dbraw/zinc/19/62/82/422196282.db2.gz OSHACRCQLAQGLC-MNOVXSKESA-N 1 1 312.345 1.410 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@@H](C)O ZINC000574857980 422196289 /nfs/dbraw/zinc/19/62/89/422196289.db2.gz OSHACRCQLAQGLC-MNOVXSKESA-N 1 1 312.345 1.410 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000578663572 422621701 /nfs/dbraw/zinc/62/17/01/422621701.db2.gz QJZQSUSWAPVVAM-RYUDHWBXSA-N 1 1 311.386 1.275 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344593445 272066458 /nfs/dbraw/zinc/06/64/58/272066458.db2.gz CCUIQKISQUWMBO-GFCCVEGCSA-N 1 1 323.397 1.336 20 5 DDBDMO CC(C)CC[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298146612 273509237 /nfs/dbraw/zinc/50/92/37/273509237.db2.gz RFQPMBBMGNTMFF-CQSZACIVSA-N 1 1 322.409 1.909 20 5 DDBDMO COCC[N@@H+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000266443984 274030664 /nfs/dbraw/zinc/03/06/64/274030664.db2.gz WNDAFMBMUUTCMA-GFCCVEGCSA-N 1 1 309.366 1.760 20 5 DDBDMO COCC[N@H+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000266443984 274030665 /nfs/dbraw/zinc/03/06/65/274030665.db2.gz WNDAFMBMUUTCMA-GFCCVEGCSA-N 1 1 309.366 1.760 20 5 DDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182689188 274336150 /nfs/dbraw/zinc/33/61/50/274336150.db2.gz CNIDEYGKRCTDMW-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO CC(C)([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000298124516 275552400 /nfs/dbraw/zinc/55/24/00/275552400.db2.gz KNKIAHSPWIFFSK-GFCCVEGCSA-N 1 1 321.377 1.715 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000429695775 277142481 /nfs/dbraw/zinc/14/24/81/277142481.db2.gz IGIJXLLQGVAEKF-OAHLLOKOSA-N 1 1 308.334 1.483 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285380469 277152725 /nfs/dbraw/zinc/15/27/25/277152725.db2.gz WLXVHSFMWGBZFQ-KBPBESRZSA-N 1 1 305.334 1.140 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000180835443 277215213 /nfs/dbraw/zinc/21/52/13/277215213.db2.gz BUHVYSOMIGZUJH-WDEREUQCSA-N 1 1 304.350 1.486 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000362471778 300072106 /nfs/dbraw/zinc/07/21/06/300072106.db2.gz SSNJAWXJCZQIKV-AWEZNQCLSA-N 1 1 321.377 1.505 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363265558 300242092 /nfs/dbraw/zinc/24/20/92/300242092.db2.gz FYFAKBOAEKPFSW-GJZGRUSLSA-N 1 1 319.361 1.117 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368587930 301059397 /nfs/dbraw/zinc/05/93/97/301059397.db2.gz BUQQVMYWXKYPHJ-GXTWGEPZSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368596674 301061134 /nfs/dbraw/zinc/06/11/34/301061134.db2.gz VVHQXTMTTFQXKN-IUODEOHRSA-N 1 1 303.362 1.690 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964177 301111382 /nfs/dbraw/zinc/11/13/82/301111382.db2.gz NDCQJJJAVVZLIA-ZOWXZIJZSA-N 1 1 319.361 1.559 20 5 DDBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000369028594 301121882 /nfs/dbraw/zinc/12/18/82/301121882.db2.gz XHQWPJFHGWCGLR-AWEZNQCLSA-N 1 1 319.409 1.454 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370045341 301265146 /nfs/dbraw/zinc/26/51/46/301265146.db2.gz KYXDZWRJKJQYTJ-UHFFFAOYSA-N 1 1 318.381 1.517 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000537598612 303375200 /nfs/dbraw/zinc/37/52/00/303375200.db2.gz OKDKOLQQSGPOCL-NSHDSACASA-N 1 1 311.769 1.859 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363496451 307029720 /nfs/dbraw/zinc/02/97/20/307029720.db2.gz PZCDQEPXOXMIQY-LLVKDONJSA-N 1 1 302.338 1.498 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000363496451 307029721 /nfs/dbraw/zinc/02/97/21/307029721.db2.gz PZCDQEPXOXMIQY-LLVKDONJSA-N 1 1 302.338 1.498 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368813319 307110390 /nfs/dbraw/zinc/11/03/90/307110390.db2.gz FLKNFBMWDIWPML-SJDLMVEWSA-N 1 1 303.362 1.624 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368813319 307110391 /nfs/dbraw/zinc/11/03/91/307110391.db2.gz FLKNFBMWDIWPML-SJDLMVEWSA-N 1 1 303.362 1.624 20 5 DDBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]c[nH]c3C2)nc2sccn21 ZINC000370861359 307138534 /nfs/dbraw/zinc/13/85/34/307138534.db2.gz MUEURBKEJDHIKI-SSDOTTSWSA-N 1 1 304.335 1.997 20 5 DDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373107709 307178915 /nfs/dbraw/zinc/17/89/15/307178915.db2.gz WBPSBGHYKJVNMN-UKRRQHHQSA-N 1 1 324.381 1.971 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168847 308263951 /nfs/dbraw/zinc/26/39/51/308263951.db2.gz KUTFCXRCVTYYPU-DOMZBBRYSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168847 308263952 /nfs/dbraw/zinc/26/39/52/308263952.db2.gz KUTFCXRCVTYYPU-DOMZBBRYSA-N 1 1 311.382 1.185 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000582616703 337115296 /nfs/dbraw/zinc/11/52/96/337115296.db2.gz PHIWMXRPJOZIRL-OAHLLOKOSA-N 1 1 311.385 1.862 20 5 DDBDMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361680001 484522513 /nfs/dbraw/zinc/52/25/13/484522513.db2.gz ASONWBOSDWKQJU-GFCCVEGCSA-N 1 1 322.413 1.217 20 5 DDBDMO Cc1nn(C)c(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361680001 484522517 /nfs/dbraw/zinc/52/25/17/484522517.db2.gz ASONWBOSDWKQJU-GFCCVEGCSA-N 1 1 322.413 1.217 20 5 DDBDMO COC(=O)c1ccc(OCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000287405658 490723163 /nfs/dbraw/zinc/72/31/63/490723163.db2.gz BZAUOKNYYZEOBR-UHFFFAOYSA-N 1 1 305.290 1.736 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000305816459 534339902 /nfs/dbraw/zinc/33/99/02/534339902.db2.gz AFEQTHIZEVAROK-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000305816459 534339909 /nfs/dbraw/zinc/33/99/09/534339909.db2.gz AFEQTHIZEVAROK-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154783763 525711580 /nfs/dbraw/zinc/71/15/80/525711580.db2.gz ALQFSOYTBYEBRJ-NOZJJQNGSA-N 1 1 310.310 1.634 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154783763 525711586 /nfs/dbraw/zinc/71/15/86/525711586.db2.gz ALQFSOYTBYEBRJ-NOZJJQNGSA-N 1 1 310.310 1.634 20 5 DDBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000459581335 526515123 /nfs/dbraw/zinc/51/51/23/526515123.db2.gz KXWRZPFJMFAOIP-HNNXBMFYSA-N 1 1 324.381 1.845 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294915959 527798234 /nfs/dbraw/zinc/79/82/34/527798234.db2.gz JNHCNQHXAQEUPR-UHFFFAOYSA-N 1 1 317.349 1.666 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C[N@H+]1C ZINC000824992263 608554826 /nfs/dbraw/zinc/55/48/26/608554826.db2.gz LDGWTFLUANGXPZ-ZJUUUORDSA-N 1 1 317.353 1.304 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000075581630 696422048 /nfs/dbraw/zinc/42/20/48/696422048.db2.gz OWXTYQQIIYLHTF-UHFFFAOYSA-N 1 1 315.377 1.957 20 5 DDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119720211 696684573 /nfs/dbraw/zinc/68/45/73/696684573.db2.gz WPEVTLLHSNCKQG-UHFFFAOYSA-N 1 1 319.408 1.373 20 5 DDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119720211 696684575 /nfs/dbraw/zinc/68/45/75/696684575.db2.gz WPEVTLLHSNCKQG-UHFFFAOYSA-N 1 1 319.408 1.373 20 5 DDBDMO [NH3+]C1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123550527 696732538 /nfs/dbraw/zinc/73/25/38/696732538.db2.gz DGYQLWOPQBKQJS-UHFFFAOYSA-N 1 1 317.342 1.282 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776590324 698122951 /nfs/dbraw/zinc/12/29/51/698122951.db2.gz ZNRKORDBTXXAMA-BBRMVZONSA-N 1 1 324.377 1.613 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596654 698124819 /nfs/dbraw/zinc/12/48/19/698124819.db2.gz HJOGIWSAIQDWNO-CABCVRRESA-N 1 1 319.361 1.325 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000776777805 698139400 /nfs/dbraw/zinc/13/94/00/698139400.db2.gz RNUWTAGEGVZFEG-CYBMUJFWSA-N 1 1 313.321 1.441 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000776777805 698139401 /nfs/dbraw/zinc/13/94/01/698139401.db2.gz RNUWTAGEGVZFEG-CYBMUJFWSA-N 1 1 313.321 1.441 20 5 DDBDMO CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000781960991 698666476 /nfs/dbraw/zinc/66/64/76/698666476.db2.gz PKLFSXRWKGWKOU-HNNXBMFYSA-N 1 1 323.393 1.017 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787187631 699195035 /nfs/dbraw/zinc/19/50/35/699195035.db2.gz TUFJOXFXHPPYAT-GHMZBOCLSA-N 1 1 306.366 1.732 20 5 DDBDMO O=c1c([N+](=O)[O-])cc(Br)cn1CC[NH+]1CCCC1 ZINC000789930903 699423325 /nfs/dbraw/zinc/42/33/25/699423325.db2.gz WMMZZRQVOAXXEO-UHFFFAOYSA-N 1 1 316.155 1.615 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)NC ZINC000735869543 699707515 /nfs/dbraw/zinc/70/75/15/699707515.db2.gz IVYNYXQAVMVXTH-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cn1nccc1[N+](=O)[O-] ZINC000795751878 699889325 /nfs/dbraw/zinc/88/93/25/699889325.db2.gz KZSXRIGOVRGCCM-UHFFFAOYSA-N 1 1 307.354 1.796 20 5 DDBDMO CNc1c(C(=O)OCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000765514931 701017335 /nfs/dbraw/zinc/01/73/35/701017335.db2.gz OCJQDGHCEJSAHX-UHFFFAOYSA-N 1 1 304.306 1.998 20 5 DDBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116956 701085078 /nfs/dbraw/zinc/08/50/78/701085078.db2.gz OSEKGCIFCAJLBZ-ZFWWWQNUSA-N 1 1 316.361 1.851 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845769 701140622 /nfs/dbraw/zinc/14/06/22/701140622.db2.gz YKKIIYRLIWBMAT-FBWDIHGXSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845769 701140624 /nfs/dbraw/zinc/14/06/24/701140624.db2.gz YKKIIYRLIWBMAT-FBWDIHGXSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804429194 701188335 /nfs/dbraw/zinc/18/83/35/701188335.db2.gz ABKLQHRPAOHRSU-SNVBAGLBSA-N 1 1 310.310 1.006 20 5 DDBDMO COCCC[N@@H+](C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804504736 701196894 /nfs/dbraw/zinc/19/68/94/701196894.db2.gz RPMVACPYSIVAOB-UHFFFAOYSA-N 1 1 312.326 1.883 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771873409 701335010 /nfs/dbraw/zinc/33/50/10/701335010.db2.gz IDUNYIDNUNPTEE-UHFFFAOYSA-N 1 1 319.273 1.685 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000867982198 701871884 /nfs/dbraw/zinc/87/18/84/701871884.db2.gz LXRYOIAYZOPOAF-SGIREYDYSA-N 1 1 321.377 1.795 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000811466791 701992048 /nfs/dbraw/zinc/99/20/48/701992048.db2.gz YNQRALJQBYYGBS-NSHDSACASA-N 1 1 308.334 1.850 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000811466791 701992051 /nfs/dbraw/zinc/99/20/51/701992051.db2.gz YNQRALJQBYYGBS-NSHDSACASA-N 1 1 308.334 1.850 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206649 706648581 /nfs/dbraw/zinc/64/85/81/706648581.db2.gz FDJOIRCKPAVCPR-PWSUYJOCSA-N 1 1 320.349 1.307 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000816953654 702237918 /nfs/dbraw/zinc/23/79/18/702237918.db2.gz LOOSPBQXZXQKGV-ABAIWWIYSA-N 1 1 318.377 1.437 20 5 DDBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)CO ZINC000817417830 702376521 /nfs/dbraw/zinc/37/65/21/702376521.db2.gz RQANTAJKHDDSQN-NSHDSACASA-N 1 1 302.758 1.812 20 5 DDBDMO CCCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000843987274 702949283 /nfs/dbraw/zinc/94/92/83/702949283.db2.gz DLDPBLSKNZATNL-LSDHHAIUSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572791 706723022 /nfs/dbraw/zinc/72/30/22/706723022.db2.gz RIDSMFZWWURFQI-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](CCCO)CC1 ZINC000845476517 703161963 /nfs/dbraw/zinc/16/19/63/703161963.db2.gz MEUGHEQXJCWXSI-UHFFFAOYSA-N 1 1 317.748 1.892 20 5 DDBDMO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000845517482 703167051 /nfs/dbraw/zinc/16/70/51/703167051.db2.gz ARJOMKOHTKFFTA-SECBINFHSA-N 1 1 317.748 1.890 20 5 DDBDMO C[C@@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000845517482 703167054 /nfs/dbraw/zinc/16/70/54/703167054.db2.gz ARJOMKOHTKFFTA-SECBINFHSA-N 1 1 317.748 1.890 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972751 703359154 /nfs/dbraw/zinc/35/91/54/703359154.db2.gz MMWKJAPOBYVRCG-ZFWWWQNUSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@H+]1CC[C@H](CCOC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000847823021 703472871 /nfs/dbraw/zinc/47/28/71/703472871.db2.gz JJWQTJQZDWESGM-SNVBAGLBSA-N 1 1 322.317 1.822 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848351485 703542060 /nfs/dbraw/zinc/54/20/60/703542060.db2.gz DMEYMQSLYYIMTC-GJZGRUSLSA-N 1 1 318.377 1.924 20 5 DDBDMO CCOCC[N@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483239 703555869 /nfs/dbraw/zinc/55/58/69/703555869.db2.gz AGIWAFXOPCBKEI-OAHLLOKOSA-N 1 1 321.377 1.837 20 5 DDBDMO CCOCC[N@@H+](C)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483239 703555871 /nfs/dbraw/zinc/55/58/71/703555871.db2.gz AGIWAFXOPCBKEI-OAHLLOKOSA-N 1 1 321.377 1.837 20 5 DDBDMO CC1(C)OC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000851730107 703839380 /nfs/dbraw/zinc/83/93/80/703839380.db2.gz VDPWQPDIXBHEGK-OAHLLOKOSA-N 1 1 321.377 1.868 20 5 DDBDMO COCC[NH+]1CCC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818974930 704039630 /nfs/dbraw/zinc/03/96/30/704039630.db2.gz ICUFDBVSYKDCOW-INIZCTEOSA-N 1 1 323.393 1.329 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852463943 704054547 /nfs/dbraw/zinc/05/45/47/704054547.db2.gz ZIWGZGSJUJXOCD-HRCADAONSA-N 1 1 306.362 1.987 20 5 DDBDMO CCOC[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870897302 704161277 /nfs/dbraw/zinc/16/12/77/704161277.db2.gz BGUMDMIEIRNJSI-WBMJQRKESA-N 1 1 321.377 1.654 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1C ZINC000853265485 704226863 /nfs/dbraw/zinc/22/68/63/704226863.db2.gz VPJZYDYZHGOMLM-LBPRGKRZSA-N 1 1 309.366 1.415 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC4(COC4)C3)n2)cc1 ZINC000853597985 704281576 /nfs/dbraw/zinc/28/15/76/704281576.db2.gz NAXCEEXKQLHKTG-UHFFFAOYSA-N 1 1 315.333 1.533 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC4(COC4)C3)n2)cc1 ZINC000853597985 704281578 /nfs/dbraw/zinc/28/15/78/704281578.db2.gz NAXCEEXKQLHKTG-UHFFFAOYSA-N 1 1 315.333 1.533 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000855287656 704477347 /nfs/dbraw/zinc/47/73/47/704477347.db2.gz RHCHINRYFBOAFH-LLVKDONJSA-N 1 1 306.366 1.780 20 5 DDBDMO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000858612164 704734526 /nfs/dbraw/zinc/73/45/26/704734526.db2.gz XXYSMWHRVAMCQC-UHFFFAOYSA-N 1 1 324.812 1.932 20 5 DDBDMO C[C@]1(CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)CO ZINC000859832983 705015925 /nfs/dbraw/zinc/01/59/25/705015925.db2.gz PJHFUJYERIWUQY-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO C[C@]1(CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]1(C)CO ZINC000859832983 705015931 /nfs/dbraw/zinc/01/59/31/705015931.db2.gz PJHFUJYERIWUQY-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179373 705163326 /nfs/dbraw/zinc/16/33/26/705163326.db2.gz MMGGOYZBLMYHMD-HOTGVXAUSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179373 705163328 /nfs/dbraw/zinc/16/33/28/705163328.db2.gz MMGGOYZBLMYHMD-HOTGVXAUSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179373 705163330 /nfs/dbraw/zinc/16/33/30/705163330.db2.gz MMGGOYZBLMYHMD-HOTGVXAUSA-N 1 1 307.394 1.900 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874845028 705199525 /nfs/dbraw/zinc/19/95/25/705199525.db2.gz FFHMFTMKXKPHGU-KGLIPLIRSA-N 1 1 319.361 1.912 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848398 705202222 /nfs/dbraw/zinc/20/22/22/705202222.db2.gz SGBVGBZXBBYDNV-ZIAGYGMSSA-N 1 1 318.377 1.945 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927159 705340691 /nfs/dbraw/zinc/34/06/91/705340691.db2.gz OMDOCJGYNQVRNN-LLVKDONJSA-N 1 1 307.354 1.735 20 5 DDBDMO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000824003220 705353268 /nfs/dbraw/zinc/35/32/68/705353268.db2.gz SYPNBSUMTQFFHB-CHWSQXEVSA-N 1 1 319.365 1.925 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000827238694 705957745 /nfs/dbraw/zinc/95/77/45/705957745.db2.gz VWVGWTXTKDKBIP-UHFFFAOYSA-N 1 1 310.329 1.235 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827244435 705958911 /nfs/dbraw/zinc/95/89/11/705958911.db2.gz AKXCSFVTEVAQMZ-VHDGCEQUSA-N 1 1 319.361 1.181 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328917 705976363 /nfs/dbraw/zinc/97/63/63/705976363.db2.gz FTMIGKANZPNMFK-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328917 705976365 /nfs/dbraw/zinc/97/63/65/705976365.db2.gz FTMIGKANZPNMFK-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328917 705976366 /nfs/dbraw/zinc/97/63/66/705976366.db2.gz FTMIGKANZPNMFK-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1c1cc[nH+]cc1 ZINC000880263332 706925358 /nfs/dbraw/zinc/92/53/58/706925358.db2.gz WUZOKPGCOBETAL-CYBMUJFWSA-N 1 1 316.365 1.397 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000880329124 706942294 /nfs/dbraw/zinc/94/22/94/706942294.db2.gz JTTSWBRNHWCIRV-WFASDCNBSA-N 1 1 322.365 1.375 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2[C@@H](C)CC[C@H]2CO)c1 ZINC000880443889 706978794 /nfs/dbraw/zinc/97/87/94/706978794.db2.gz NILAMROTXTUOEP-GWCFXTLKSA-N 1 1 308.334 1.727 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000880528600 707005110 /nfs/dbraw/zinc/00/51/10/707005110.db2.gz FMNQXOKFKALGIU-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000880528600 707005111 /nfs/dbraw/zinc/00/51/11/707005111.db2.gz FMNQXOKFKALGIU-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458978 707008596 /nfs/dbraw/zinc/00/85/96/707008596.db2.gz RIGODNAOMYOISR-ZBFHGGJFSA-N 1 1 319.361 1.182 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779127 707596597 /nfs/dbraw/zinc/59/65/97/707596597.db2.gz MYCHKUCDGUVBFQ-KBPBESRZSA-N 1 1 304.350 1.367 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897218459 708256742 /nfs/dbraw/zinc/25/67/42/708256742.db2.gz CUFOEWYKWTUBCP-OLZOCXBDSA-N 1 1 323.397 1.155 20 5 DDBDMO Cc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC000897220417 708258806 /nfs/dbraw/zinc/25/88/06/708258806.db2.gz AYBTWJRBMLILOM-QWHCGFSZSA-N 1 1 306.366 1.334 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000898436688 708639630 /nfs/dbraw/zinc/63/96/30/708639630.db2.gz HTEFEVHIKSJOKS-QWHCGFSZSA-N 1 1 319.361 1.103 20 5 DDBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285383 708735786 /nfs/dbraw/zinc/73/57/86/708735786.db2.gz HJPGMCNWJVQRPD-CYBMUJFWSA-N 1 1 306.366 1.726 20 5 DDBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285383 708735787 /nfs/dbraw/zinc/73/57/87/708735787.db2.gz HJPGMCNWJVQRPD-CYBMUJFWSA-N 1 1 306.366 1.726 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338512 708745395 /nfs/dbraw/zinc/74/53/95/708745395.db2.gz LZBWPCGAXPWQJE-MXWKQRLJSA-N 1 1 305.334 1.882 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338512 708745396 /nfs/dbraw/zinc/74/53/96/708745396.db2.gz LZBWPCGAXPWQJE-MXWKQRLJSA-N 1 1 305.334 1.882 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899936888 709243281 /nfs/dbraw/zinc/24/32/81/709243281.db2.gz JFNRWHOERAFCPU-MRXNPFEDSA-N 1 1 321.377 1.997 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900812301 709773303 /nfs/dbraw/zinc/77/33/03/709773303.db2.gz UVXVWWDWHOUBEI-TZMCWYRMSA-N 1 1 320.393 1.267 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435839 713194885 /nfs/dbraw/zinc/19/48/85/713194885.db2.gz DEAFQGRXNCMFBS-VXGBXAGGSA-N 1 1 306.366 1.240 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452036 713203123 /nfs/dbraw/zinc/20/31/23/713203123.db2.gz MNJPKXBZVBTAQL-SWLSCSKDSA-N 1 1 320.393 1.996 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000928568249 713231936 /nfs/dbraw/zinc/23/19/36/713231936.db2.gz KGARYNUWIXEKOG-GFCCVEGCSA-N 1 1 304.350 1.603 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000928568249 713231938 /nfs/dbraw/zinc/23/19/38/713231938.db2.gz KGARYNUWIXEKOG-GFCCVEGCSA-N 1 1 304.350 1.603 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545977 713252726 /nfs/dbraw/zinc/25/27/26/713252726.db2.gz DZAWFIZLIYTBBQ-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545977 713252728 /nfs/dbraw/zinc/25/27/28/713252728.db2.gz DZAWFIZLIYTBBQ-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895249672 711466307 /nfs/dbraw/zinc/46/63/07/711466307.db2.gz WOFKARMZULHBHF-NEPJUHHUSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895249672 711466311 /nfs/dbraw/zinc/46/63/11/711466311.db2.gz WOFKARMZULHBHF-NEPJUHHUSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895249672 711466313 /nfs/dbraw/zinc/46/63/13/711466313.db2.gz WOFKARMZULHBHF-NEPJUHHUSA-N 1 1 318.381 1.289 20 5 DDBDMO Cc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000896219939 711693505 /nfs/dbraw/zinc/69/35/05/711693505.db2.gz JMEWOKOFZXWPCK-DZGCQCFKSA-N 1 1 318.377 1.749 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000914432055 713394945 /nfs/dbraw/zinc/39/49/45/713394945.db2.gz IWYYCLUMCLAQID-PHIMTYICSA-N 1 1 315.333 1.390 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000914432055 713394947 /nfs/dbraw/zinc/39/49/47/713394947.db2.gz IWYYCLUMCLAQID-PHIMTYICSA-N 1 1 315.333 1.390 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000929407748 713604612 /nfs/dbraw/zinc/60/46/12/713604612.db2.gz HCTQLHOSXZKNOF-HNNXBMFYSA-N 1 1 320.393 1.996 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000919801729 713635757 /nfs/dbraw/zinc/63/57/57/713635757.db2.gz GOVQGUVSABXBIU-OAHLLOKOSA-N 1 1 320.393 1.921 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000929778928 713688572 /nfs/dbraw/zinc/68/85/72/713688572.db2.gz KSNRRSVNOIAULF-VXGBXAGGSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC000929778928 713688574 /nfs/dbraw/zinc/68/85/74/713688574.db2.gz KSNRRSVNOIAULF-VXGBXAGGSA-N 1 1 301.387 1.888 20 5 DDBDMO CC[N@H+](CCOC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000921045721 713710119 /nfs/dbraw/zinc/71/01/19/713710119.db2.gz CYFIXOYXDWWAOP-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO CC[N@@H+](CCOC)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000921045721 713710120 /nfs/dbraw/zinc/71/01/20/713710120.db2.gz CYFIXOYXDWWAOP-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000930684314 713896038 /nfs/dbraw/zinc/89/60/38/713896038.db2.gz OVJANDGHURFVPJ-NEPJUHHUSA-N 1 1 301.387 1.746 20 5 DDBDMO C[C@@H]1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923379848 714334879 /nfs/dbraw/zinc/33/48/79/714334879.db2.gz ABGFVIVNJNLOMI-TWJWRFFLSA-N 1 1 307.394 1.933 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOc3ccccc3[C@@H]2CO)n1 ZINC000933383087 714577401 /nfs/dbraw/zinc/57/74/01/714577401.db2.gz KXQQAEPZBFQNCN-ZDUSSCGKSA-N 1 1 318.333 1.219 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOc3ccccc3[C@@H]2CO)n1 ZINC000933383087 714577402 /nfs/dbraw/zinc/57/74/02/714577402.db2.gz KXQQAEPZBFQNCN-ZDUSSCGKSA-N 1 1 318.333 1.219 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@]2(C)C1 ZINC000933732370 714657637 /nfs/dbraw/zinc/65/76/37/714657637.db2.gz PFHDHDFZVRIRPM-BZNIZROVSA-N 1 1 315.377 1.855 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000934832314 714912920 /nfs/dbraw/zinc/91/29/20/714912920.db2.gz AXMPUKYQDCYDRH-ZIAGYGMSSA-N 1 1 308.382 1.930 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164638885 719216819 /nfs/dbraw/zinc/21/68/19/719216819.db2.gz PSXUZRQZNFFMPY-DTWKUNHWSA-N 1 1 300.746 1.410 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164638885 719216832 /nfs/dbraw/zinc/21/68/32/719216832.db2.gz PSXUZRQZNFFMPY-DTWKUNHWSA-N 1 1 300.746 1.410 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000352355706 719413754 /nfs/dbraw/zinc/41/37/54/719413754.db2.gz JIQZEOKLQLWFFL-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO CCc1occc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126500449 740436820 /nfs/dbraw/zinc/43/68/20/740436820.db2.gz FGRBRDNPDYJOJB-UHFFFAOYSA-N 1 1 321.337 1.003 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105460154 741855507 /nfs/dbraw/zinc/85/55/07/741855507.db2.gz RNRGFFNYWGELFO-UHFFFAOYSA-N 1 1 322.409 1.831 20 5 DDBDMO Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996429311 749588036 /nfs/dbraw/zinc/58/80/36/749588036.db2.gz PAUDCDNEBFWLIK-HUUCEWRRSA-N 1 1 318.377 1.136 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035716 762191728 /nfs/dbraw/zinc/19/17/28/762191728.db2.gz LGZDZDYTFSIANP-XGFWRYKXSA-N 1 1 312.366 1.084 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035716 762191730 /nfs/dbraw/zinc/19/17/30/762191730.db2.gz LGZDZDYTFSIANP-XGFWRYKXSA-N 1 1 312.366 1.084 20 5 DDBDMO [NH3+]Cc1ccc2nnn(-c3ccc4[nH]cnc4c3[N+](=O)[O-])c2c1 ZINC001170024595 764113529 /nfs/dbraw/zinc/11/35/29/764113529.db2.gz WFDLXMKYIUDIHG-UHFFFAOYSA-N 1 1 309.289 1.664 20 5 DDBDMO COC(=O)C1C[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335474 766257943 /nfs/dbraw/zinc/25/79/43/766257943.db2.gz OGBGPKBJTGCHCV-JTQLQIEISA-N 1 1 308.334 1.639 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354408 766260357 /nfs/dbraw/zinc/26/03/57/766260357.db2.gz KUXFFEQXLMAXRJ-RISCZKNCSA-N 1 1 321.377 1.745 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354409 766260841 /nfs/dbraw/zinc/26/08/41/766260841.db2.gz KUXFFEQXLMAXRJ-SMDDNHRTSA-N 1 1 321.377 1.745 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094008724 775325292 /nfs/dbraw/zinc/32/52/92/775325292.db2.gz VBBJWFPSLCIBCJ-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](O)C[C@@H]1CO)CC2 ZINC001172908876 776917870 /nfs/dbraw/zinc/91/78/70/776917870.db2.gz AZJVLYNMDYOMSZ-FVQBIDKESA-N 1 1 306.362 1.270 20 5 DDBDMO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC001175324171 777751312 /nfs/dbraw/zinc/75/13/12/777751312.db2.gz SRITZCBTPWUQQA-MRXNPFEDSA-N 1 1 316.361 1.999 20 5 DDBDMO Cc1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001178458760 779059144 /nfs/dbraw/zinc/05/91/44/779059144.db2.gz WWYFHNBJMOMWRO-ZIAGYGMSSA-N 1 1 324.381 1.414 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1(O)CCCC1)CC2 ZINC001119684610 781562753 /nfs/dbraw/zinc/56/27/53/781562753.db2.gz CPEJOVPFKCPDHM-OAHLLOKOSA-N 1 1 306.362 1.619 20 5 DDBDMO CCc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001267193733 837510449 /nfs/dbraw/zinc/51/04/49/837510449.db2.gz BMAMSKAXMGNOSF-HUUCEWRRSA-N 1 1 305.378 1.462 20 5 DDBDMO CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001267193733 837510454 /nfs/dbraw/zinc/51/04/54/837510454.db2.gz BMAMSKAXMGNOSF-HUUCEWRRSA-N 1 1 305.378 1.462 20 5 DDBDMO CCc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001267193733 837510459 /nfs/dbraw/zinc/51/04/59/837510459.db2.gz BMAMSKAXMGNOSF-HUUCEWRRSA-N 1 1 305.378 1.462 20 5 DDBDMO CC(=O)N(C)CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001267605242 838426380 /nfs/dbraw/zinc/42/63/80/838426380.db2.gz PFDVYWMXHIXXBY-UHFFFAOYSA-N 1 1 320.393 1.191 20 5 DDBDMO CC1(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001267682683 838635299 /nfs/dbraw/zinc/63/52/99/838635299.db2.gz CVQYTLALIAWKDB-UHFFFAOYSA-N 1 1 303.362 1.943 20 5 DDBDMO O=C(NCC1([NH2+]CCC2CCCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001326823745 861633885 /nfs/dbraw/zinc/63/38/85/861633885.db2.gz YDVCHINYGKKMEM-ZIAGYGMSSA-N 1 1 309.410 1.860 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@]12CC[N@@H+](C1)CCC2 ZINC001123031532 859063190 /nfs/dbraw/zinc/06/31/90/859063190.db2.gz PYNZNAAHLCQLII-AWEZNQCLSA-N 1 1 308.338 1.129 20 5 DDBDMO C[N@H+]1CCC[C@H]1CO[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224829522 881549322 /nfs/dbraw/zinc/54/93/22/881549322.db2.gz JXUROGUQHXMQFO-WFASDCNBSA-N 1 1 308.334 1.844 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156837420 863384238 /nfs/dbraw/zinc/38/42/38/863384238.db2.gz UGBDMTKTINKLLG-NSHDSACASA-N 1 1 321.381 1.492 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022538 864326976 /nfs/dbraw/zinc/32/69/76/864326976.db2.gz LBJNKABUFLTMNJ-HTQZYQBOSA-N 1 1 313.745 1.280 20 5 DDBDMO CSc1nc(Cl)nc(N2CC[N@@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158434994 864652624 /nfs/dbraw/zinc/65/26/24/864652624.db2.gz UGOBRYGOIGEUJM-SSDOTTSWSA-N 1 1 315.786 1.654 20 5 DDBDMO CSc1nc(Cl)nc(N2CC[N@H+]3CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001158434994 864652627 /nfs/dbraw/zinc/65/26/27/864652627.db2.gz UGOBRYGOIGEUJM-SSDOTTSWSA-N 1 1 315.786 1.654 20 5 DDBDMO C[NH+]1CCN(CCCNc2ccc3c([N+](=O)[O-])c[nH]c3n2)CC1 ZINC001161700643 866907005 /nfs/dbraw/zinc/90/70/05/866907005.db2.gz OFULSYVFZNOOBF-UHFFFAOYSA-N 1 1 318.381 1.521 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001333710521 866954368 /nfs/dbraw/zinc/95/43/68/866954368.db2.gz LHTNYPBFYRVNIE-DGCLKSJQSA-N 1 1 306.366 1.919 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335117120 868076581 /nfs/dbraw/zinc/07/65/81/868076581.db2.gz KNCAUYVTBUACJQ-STQMWFEESA-N 1 1 309.341 1.769 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)c1[N+](=O)[O-] ZINC001335441809 868299955 /nfs/dbraw/zinc/29/99/55/868299955.db2.gz UQERIECOBLWFCI-SECBINFHSA-N 1 1 324.255 1.976 20 5 DDBDMO COC(=O)c1cc(NCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC001163927725 868798516 /nfs/dbraw/zinc/79/85/16/868798516.db2.gz ABFBVLAWMVPDQA-UHFFFAOYSA-N 1 1 304.306 1.998 20 5 DDBDMO COc1cc(C)nc(N2CCC(F)(F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319510 869124365 /nfs/dbraw/zinc/12/43/65/869124365.db2.gz IMWNLTJWIYYZRQ-SECBINFHSA-N 1 1 302.281 1.480 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001337837205 869651044 /nfs/dbraw/zinc/65/10/44/869651044.db2.gz YYQGGKGDUZPYOX-ZLKJLUDKSA-N 1 1 304.350 1.368 20 5 DDBDMO COc1cc(CCNc2cc(N)[nH+]cn2)c([N+](=O)[O-])cc1OC ZINC001338592434 870061359 /nfs/dbraw/zinc/06/13/59/870061359.db2.gz SCNUTQSMPMFTFH-UHFFFAOYSA-N 1 1 319.321 1.639 20 5 DDBDMO COc1cc(CCNc2cc(N)nc[nH+]2)c([N+](=O)[O-])cc1OC ZINC001338592434 870061369 /nfs/dbraw/zinc/06/13/69/870061369.db2.gz SCNUTQSMPMFTFH-UHFFFAOYSA-N 1 1 319.321 1.639 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1 ZINC001226443545 882434480 /nfs/dbraw/zinc/43/44/80/882434480.db2.gz XWBRNLVRLWEXJB-FZZIBODNSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1 ZINC001226443545 882434495 /nfs/dbraw/zinc/43/44/95/882434495.db2.gz XWBRNLVRLWEXJB-FZZIBODNSA-N 1 1 306.318 1.786 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001353895341 877635580 /nfs/dbraw/zinc/63/55/80/877635580.db2.gz TVOYUUWNPPFVLM-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO COc1cc(CO[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001223397128 880946855 /nfs/dbraw/zinc/94/68/55/880946855.db2.gz VMDRJYIHAZEIFR-LBPRGKRZSA-N 1 1 310.350 1.841 20 5 DDBDMO N#CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254483860 896455606 /nfs/dbraw/zinc/45/56/06/896455606.db2.gz WZYBLAPRZZSANE-UHFFFAOYSA-N 1 1 315.377 1.662 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCO[C@H](CO)C3)CC2)cc1 ZINC001254474071 896455650 /nfs/dbraw/zinc/45/56/50/896455650.db2.gz KVHBWBSJOSQSFL-INIZCTEOSA-N 1 1 321.377 1.257 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C)CC1 ZINC001254532675 896488627 /nfs/dbraw/zinc/48/86/27/896488627.db2.gz PYFOIEFYMXLTMU-CQSZACIVSA-N 1 1 306.410 1.363 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CCOCC2)C1 ZINC001254558482 896501605 /nfs/dbraw/zinc/50/16/05/896501605.db2.gz BNHZQHUPRIVVOT-CYBMUJFWSA-N 1 1 305.378 1.542 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254599696 896525365 /nfs/dbraw/zinc/52/53/65/896525365.db2.gz PAFWHLFEUPVTHR-IUODEOHRSA-N 1 1 304.346 1.947 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](n3cncn3)C1)C2 ZINC001254604344 896527312 /nfs/dbraw/zinc/52/73/12/896527312.db2.gz VUOYQSNAEDPGDC-JKSUJKDBSA-N 1 1 313.361 1.991 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001263980017 900853237 /nfs/dbraw/zinc/85/32/37/900853237.db2.gz LEJBWASZLQXSAR-TUKIKUTGSA-N 1 1 303.362 1.973 20 5 DDBDMO C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000614529942 361909544 /nfs/dbraw/zinc/90/95/44/361909544.db2.gz CVKUUXSOYXPAOS-LLVKDONJSA-N 1 1 317.349 1.041 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000319016654 231177627 /nfs/dbraw/zinc/17/76/27/231177627.db2.gz CPKLVXMJPCGWLS-WPRPVWTQSA-N 1 1 310.329 1.529 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452387918 231373745 /nfs/dbraw/zinc/37/37/45/231373745.db2.gz IGRRYVFBYPVOES-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000090553167 185302754 /nfs/dbraw/zinc/30/27/54/185302754.db2.gz OEXYANWFTKDWMP-AWEZNQCLSA-N 1 1 302.334 1.922 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413141606 529887830 /nfs/dbraw/zinc/88/78/30/529887830.db2.gz KHHKXLMGWWLSFY-UHFFFAOYSA-N 1 1 311.361 1.203 20 5 DDBDMO C[NH+]1CCN(C(=O)CCSc2ncccc2[N+](=O)[O-])CC1 ZINC000286755617 219148764 /nfs/dbraw/zinc/14/87/64/219148764.db2.gz XDGWEQDWMGBXDI-UHFFFAOYSA-N 1 1 310.379 1.246 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000330889568 232140556 /nfs/dbraw/zinc/14/05/56/232140556.db2.gz BMNRAYCQQARCQI-GHMZBOCLSA-N 1 1 309.370 1.125 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330895786 232143157 /nfs/dbraw/zinc/14/31/57/232143157.db2.gz GJWAYHMYYYVHRG-NWDGAFQWSA-N 1 1 307.350 1.573 20 5 DDBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889532 232139810 /nfs/dbraw/zinc/13/98/10/232139810.db2.gz BJXQGIRQTPTWCZ-GWCFXTLKSA-N 1 1 323.397 1.397 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358416999 299147127 /nfs/dbraw/zinc/14/71/27/299147127.db2.gz WJTZSBJHICPBPC-FZMZJTMJSA-N 1 1 321.352 1.972 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279769397 215131267 /nfs/dbraw/zinc/13/12/67/215131267.db2.gz BJBLJOCZBXTMBP-UHFFFAOYSA-N 1 1 318.377 1.653 20 5 DDBDMO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280008699 215308507 /nfs/dbraw/zinc/30/85/07/215308507.db2.gz JROQQGVIUDUXHW-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280008699 215308510 /nfs/dbraw/zinc/30/85/10/215308510.db2.gz JROQQGVIUDUXHW-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000047145556 352484013 /nfs/dbraw/zinc/48/40/13/352484013.db2.gz LLENYMKGDNZZHQ-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000491236701 234111756 /nfs/dbraw/zinc/11/17/56/234111756.db2.gz LFLATDWQKVCQAT-IRBQFCFKSA-N 1 1 301.346 1.961 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c1C ZINC000053686177 352664789 /nfs/dbraw/zinc/66/47/89/352664789.db2.gz WNAIZIQVCNJWIP-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c1C ZINC000053686177 352664792 /nfs/dbraw/zinc/66/47/92/352664792.db2.gz WNAIZIQVCNJWIP-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000063852158 352927607 /nfs/dbraw/zinc/92/76/07/352927607.db2.gz VXMYXAHCMPQJNL-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000069530355 353165607 /nfs/dbraw/zinc/16/56/07/353165607.db2.gz PWUPQLIXZYUGKU-SNVBAGLBSA-N 1 1 313.379 1.497 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000069530355 353165610 /nfs/dbraw/zinc/16/56/10/353165610.db2.gz PWUPQLIXZYUGKU-SNVBAGLBSA-N 1 1 313.379 1.497 20 5 DDBDMO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000173868701 198262061 /nfs/dbraw/zinc/26/20/61/198262061.db2.gz JNSJNBKBZXSGJD-CYBMUJFWSA-N 1 1 321.377 1.222 20 5 DDBDMO Cc1ncc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000174738275 198377900 /nfs/dbraw/zinc/37/79/00/198377900.db2.gz OKLAZSYZRVYCJF-NSHDSACASA-N 1 1 311.367 1.049 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083444804 353710053 /nfs/dbraw/zinc/71/00/53/353710053.db2.gz OTQDKALIYVNGJR-UHFFFAOYSA-N 1 1 317.349 1.971 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000089267232 353763779 /nfs/dbraw/zinc/76/37/79/353763779.db2.gz DVGTVCJZRXIXNC-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000089267232 353763780 /nfs/dbraw/zinc/76/37/80/353763780.db2.gz DVGTVCJZRXIXNC-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000092624633 353864065 /nfs/dbraw/zinc/86/40/65/353864065.db2.gz SVNLSYMLSRZMGH-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093332539 353895887 /nfs/dbraw/zinc/89/58/87/353895887.db2.gz UCLVTWYQWLQXTK-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093332539 353895889 /nfs/dbraw/zinc/89/58/89/353895889.db2.gz UCLVTWYQWLQXTK-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192524 283017406 /nfs/dbraw/zinc/01/74/06/283017406.db2.gz NLMHDWPAINVCFG-GARJFASQSA-N 1 1 307.354 1.120 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588009277 354893368 /nfs/dbraw/zinc/89/33/68/354893368.db2.gz DSMJUAXWGLCCQJ-QWRGUYRKSA-N 1 1 308.382 1.588 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000589879248 355028726 /nfs/dbraw/zinc/02/87/26/355028726.db2.gz WLZNZBRYIADHQN-HNNXBMFYSA-N 1 1 306.366 1.201 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590631900 355133838 /nfs/dbraw/zinc/13/38/38/355133838.db2.gz FFAQWNMULUELII-CYBMUJFWSA-N 1 1 319.361 1.768 20 5 DDBDMO CCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000590776517 355176317 /nfs/dbraw/zinc/17/63/17/355176317.db2.gz INXICYCJDJFKRV-DZGCQCFKSA-N 1 1 303.362 1.933 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000591147748 355254927 /nfs/dbraw/zinc/25/49/27/355254927.db2.gz LFMJFGXHONZIEV-NSHDSACASA-N 1 1 310.329 1.287 20 5 DDBDMO CN(C)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591357445 355299053 /nfs/dbraw/zinc/29/90/53/355299053.db2.gz PFAGHLARGVXPLV-UHFFFAOYSA-N 1 1 307.350 1.550 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591579971 355330410 /nfs/dbraw/zinc/33/04/10/355330410.db2.gz CANMMXMXMLDAPC-GVXVVHGQSA-N 1 1 324.356 1.602 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000593018890 355771213 /nfs/dbraw/zinc/77/12/13/355771213.db2.gz BRLLJQBFZKGJGX-NWDGAFQWSA-N 1 1 321.377 1.906 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593060994 355783804 /nfs/dbraw/zinc/78/38/04/355783804.db2.gz MMBVZCKYSCOZFC-UONOGXRCSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000593187604 355820054 /nfs/dbraw/zinc/82/00/54/355820054.db2.gz MKHPHXODYNUZKI-ADEWGFFLSA-N 1 1 306.366 1.851 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593414967 355878213 /nfs/dbraw/zinc/87/82/13/355878213.db2.gz HLEDRYYSONNNKN-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000593517950 355911647 /nfs/dbraw/zinc/91/16/47/355911647.db2.gz LTPANERAMSKGMH-UHFFFAOYSA-N 1 1 324.381 1.083 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593519672 355912098 /nfs/dbraw/zinc/91/20/98/355912098.db2.gz AOBQPXFRMSGWTM-HZMBPMFUSA-N 1 1 321.352 1.875 20 5 DDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC000593424481 355881097 /nfs/dbraw/zinc/88/10/97/355881097.db2.gz IAOWLUCOUHSLQP-CYBMUJFWSA-N 1 1 314.345 1.979 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594094116 356111128 /nfs/dbraw/zinc/11/11/28/356111128.db2.gz HCCSTJJEKKQJJL-QWHCGFSZSA-N 1 1 320.349 1.186 20 5 DDBDMO [NH3+]C1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000595119558 356386036 /nfs/dbraw/zinc/38/60/36/356386036.db2.gz HAQJFHBEUQAFBI-UHFFFAOYSA-N 1 1 317.342 1.284 20 5 DDBDMO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000595120606 356386059 /nfs/dbraw/zinc/38/60/59/356386059.db2.gz JGGOPRWYUUSUGP-SNVBAGLBSA-N 1 1 319.358 1.386 20 5 DDBDMO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000595355724 356462255 /nfs/dbraw/zinc/46/22/55/356462255.db2.gz QPCNSTOIFMFHSH-SECBINFHSA-N 1 1 319.408 1.419 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000595355724 356462258 /nfs/dbraw/zinc/46/22/58/356462258.db2.gz QPCNSTOIFMFHSH-SECBINFHSA-N 1 1 319.408 1.419 20 5 DDBDMO Cc1noc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000595291900 356436123 /nfs/dbraw/zinc/43/61/23/356436123.db2.gz XBQDAYMJESDYHT-UHFFFAOYSA-N 1 1 324.381 1.970 20 5 DDBDMO O=C1NCCN1C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595292888 356436568 /nfs/dbraw/zinc/43/65/68/356436568.db2.gz DFXFJKQWZBDVBA-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742454 356631243 /nfs/dbraw/zinc/63/12/43/356631243.db2.gz GOZQKZSFLSYNOP-VXGBXAGGSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755612 356637104 /nfs/dbraw/zinc/63/71/04/356637104.db2.gz BJOQBJIHWVLDEH-BONVTDFDSA-N 1 1 302.334 1.939 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755612 356637109 /nfs/dbraw/zinc/63/71/09/356637109.db2.gz BJOQBJIHWVLDEH-BONVTDFDSA-N 1 1 302.334 1.939 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595799186 356656193 /nfs/dbraw/zinc/65/61/93/356656193.db2.gz JDZFUQBAJHRCDH-UHFFFAOYSA-N 1 1 324.377 1.559 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595799186 356656195 /nfs/dbraw/zinc/65/61/95/356656195.db2.gz JDZFUQBAJHRCDH-UHFFFAOYSA-N 1 1 324.377 1.559 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836634 356672765 /nfs/dbraw/zinc/67/27/65/356672765.db2.gz XOVZGFKYJLBIMI-JHJVBQTASA-N 1 1 319.361 1.890 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829827 356668328 /nfs/dbraw/zinc/66/83/28/356668328.db2.gz ILBFDPUHCPWWIL-VXGBXAGGSA-N 1 1 305.334 1.502 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829827 356668331 /nfs/dbraw/zinc/66/83/31/356668331.db2.gz ILBFDPUHCPWWIL-VXGBXAGGSA-N 1 1 305.334 1.502 20 5 DDBDMO CCOc1cc(C[N@@H+](CC(N)=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000276890417 213158299 /nfs/dbraw/zinc/15/82/99/213158299.db2.gz JYHKYDRGESTCKD-UHFFFAOYSA-N 1 1 309.366 1.937 20 5 DDBDMO CCOc1cc(C[N@H+](CC(N)=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000276890417 213158301 /nfs/dbraw/zinc/15/83/01/213158301.db2.gz JYHKYDRGESTCKD-UHFFFAOYSA-N 1 1 309.366 1.937 20 5 DDBDMO CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597947446 357396297 /nfs/dbraw/zinc/39/62/97/357396297.db2.gz YKUZYVZJNKPYNH-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+](CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C1CC1 ZINC000598593402 357645619 /nfs/dbraw/zinc/64/56/19/357645619.db2.gz SKOVFUFRUIOAJL-UHFFFAOYSA-N 1 1 308.338 1.673 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1(C)COC1 ZINC000599571617 357979281 /nfs/dbraw/zinc/97/92/81/357979281.db2.gz NTRXYRBSLJNPRJ-UHFFFAOYSA-N 1 1 307.350 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1(C)COC1 ZINC000599571617 357979284 /nfs/dbraw/zinc/97/92/84/357979284.db2.gz NTRXYRBSLJNPRJ-UHFFFAOYSA-N 1 1 307.350 1.810 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600309483 358191774 /nfs/dbraw/zinc/19/17/74/358191774.db2.gz AISYIBJKKWDQPM-LBPRGKRZSA-N 1 1 306.366 1.760 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600533312 358249925 /nfs/dbraw/zinc/24/99/25/358249925.db2.gz KNBQDRMXMPJFOQ-SECBINFHSA-N 1 1 313.741 1.045 20 5 DDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000600677246 358280242 /nfs/dbraw/zinc/28/02/42/358280242.db2.gz CWZAPKYVJPKINT-JTQLQIEISA-N 1 1 317.292 1.274 20 5 DDBDMO CNC(=O)[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000601132428 358415419 /nfs/dbraw/zinc/41/54/19/358415419.db2.gz GNHFMWAIXUYGFJ-AWEZNQCLSA-N 1 1 302.334 1.747 20 5 DDBDMO Cn1cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602704767 359135880 /nfs/dbraw/zinc/13/58/80/359135880.db2.gz IHWRFEIISCWDFL-LBPRGKRZSA-N 1 1 321.381 1.065 20 5 DDBDMO C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000602843061 359231256 /nfs/dbraw/zinc/23/12/56/359231256.db2.gz YRDOOUHBFMXWQU-GFCCVEGCSA-N 1 1 307.398 1.635 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000602817648 359212829 /nfs/dbraw/zinc/21/28/29/359212829.db2.gz UZKLBQSFNGMILN-OAHLLOKOSA-N 1 1 310.398 1.973 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCc2ncnn21 ZINC000602823420 359217416 /nfs/dbraw/zinc/21/74/16/359217416.db2.gz KOQPCSHDTOTGLP-CQSZACIVSA-N 1 1 301.350 1.848 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000602904258 359284478 /nfs/dbraw/zinc/28/44/78/359284478.db2.gz VRUXAUOCZMLZIR-CYBMUJFWSA-N 1 1 323.397 1.336 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602953161 359318011 /nfs/dbraw/zinc/31/80/11/359318011.db2.gz PHZRKVNZCQLMME-LLVKDONJSA-N 1 1 307.354 1.278 20 5 DDBDMO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928003 359298954 /nfs/dbraw/zinc/29/89/54/359298954.db2.gz VJCRVTDUNVVFBU-GXTWGEPZSA-N 1 1 320.349 1.828 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928003 359298955 /nfs/dbraw/zinc/29/89/55/359298955.db2.gz VJCRVTDUNVVFBU-GXTWGEPZSA-N 1 1 320.349 1.828 20 5 DDBDMO Cn1cc(C2=CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602883181 359266899 /nfs/dbraw/zinc/26/68/99/359266899.db2.gz NWCXYASZICGFCW-UHFFFAOYSA-N 1 1 302.338 1.351 20 5 DDBDMO Cn1cc(C2=CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602883181 359266904 /nfs/dbraw/zinc/26/69/04/359266904.db2.gz NWCXYASZICGFCW-UHFFFAOYSA-N 1 1 302.338 1.351 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000602961511 359323939 /nfs/dbraw/zinc/32/39/39/359323939.db2.gz UUKSYINBAUEHPO-OAHLLOKOSA-N 1 1 319.365 1.280 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187007408 200046684 /nfs/dbraw/zinc/04/66/84/200046684.db2.gz LGRKVBSWWMXUKK-WDEREUQCSA-N 1 1 322.365 1.546 20 5 DDBDMO COC[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603426020 359633197 /nfs/dbraw/zinc/63/31/97/359633197.db2.gz BPCLIZRBMCRQPH-VIFPVBQESA-N 1 1 306.265 1.293 20 5 DDBDMO C[N@H+]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603433739 359637270 /nfs/dbraw/zinc/63/72/70/359637270.db2.gz VUOAQKZQXYVDAY-UHFFFAOYSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1CC(C)(C)O ZINC000188643938 200280462 /nfs/dbraw/zinc/28/04/62/200280462.db2.gz BZUYFVWLEAHQEU-JTQLQIEISA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1CC(C)(C)O ZINC000188643938 200280463 /nfs/dbraw/zinc/28/04/63/200280463.db2.gz BZUYFVWLEAHQEU-JTQLQIEISA-N 1 1 311.338 1.105 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329906 200382973 /nfs/dbraw/zinc/38/29/73/200382973.db2.gz BIDIYOISNYOWCL-NSHDSACASA-N 1 1 322.365 1.554 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000608985025 360255982 /nfs/dbraw/zinc/25/59/82/360255982.db2.gz HPJXELQTLJTQAA-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCCO)C2CC2)c1 ZINC000609848230 360356689 /nfs/dbraw/zinc/35/66/89/360356689.db2.gz MPJGUSOVMNTSKN-AWEZNQCLSA-N 1 1 310.350 1.181 20 5 DDBDMO O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762769 360531569 /nfs/dbraw/zinc/53/15/69/360531569.db2.gz UDRNEYHHSZMTFO-OCCSQVGLSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762769 360531573 /nfs/dbraw/zinc/53/15/73/360531573.db2.gz UDRNEYHHSZMTFO-OCCSQVGLSA-N 1 1 301.346 1.968 20 5 DDBDMO CNc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613235005 361342043 /nfs/dbraw/zinc/34/20/43/361342043.db2.gz LBZPWBGKJCSWPO-GXFFZTMASA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613235005 361342047 /nfs/dbraw/zinc/34/20/47/361342047.db2.gz LBZPWBGKJCSWPO-GXFFZTMASA-N 1 1 322.365 1.085 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000261926685 203154228 /nfs/dbraw/zinc/15/42/28/203154228.db2.gz LDRIVWUNASBBSZ-GYSYKLTISA-N 1 1 307.350 1.457 20 5 DDBDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000350290216 284178920 /nfs/dbraw/zinc/17/89/20/284178920.db2.gz UKJSNPDWBKUEHM-UDZFHETQSA-N 1 1 307.325 1.833 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000288503197 220185734 /nfs/dbraw/zinc/18/57/34/220185734.db2.gz SFJOYBSYMOJDKB-CYBMUJFWSA-N 1 1 321.377 1.690 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261993352 296227642 /nfs/dbraw/zinc/22/76/42/296227642.db2.gz PDYQANYAAVAKEZ-NSHDSACASA-N 1 1 302.290 1.370 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000334047272 249193055 /nfs/dbraw/zinc/19/30/55/249193055.db2.gz BECTZVWVHOSCIZ-RYUDHWBXSA-N 1 1 306.366 1.968 20 5 DDBDMO CC(C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000064620233 184301593 /nfs/dbraw/zinc/30/15/93/184301593.db2.gz SRZUMVHOKHAVCH-QGZVFWFLSA-N 1 1 320.437 1.956 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC1(F)F ZINC000289664189 221138346 /nfs/dbraw/zinc/13/83/46/221138346.db2.gz FNCAMXUEVXLLEI-SNVBAGLBSA-N 1 1 301.293 1.734 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000569041921 304331931 /nfs/dbraw/zinc/33/19/31/304331931.db2.gz VIUTZWFLIJLKRY-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000569862158 304383412 /nfs/dbraw/zinc/38/34/12/304383412.db2.gz ZXCZMLFGNFKVHF-OAHLLOKOSA-N 1 1 307.350 1.404 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000069035020 406677803 /nfs/dbraw/zinc/67/78/03/406677803.db2.gz ULHQOSXDNYIFJD-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1C ZINC000088059691 407120486 /nfs/dbraw/zinc/12/04/86/407120486.db2.gz MVGHFIXWQYTIKP-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CC[C@H](CSC)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000091097021 407177752 /nfs/dbraw/zinc/17/77/52/407177752.db2.gz LXXCGKVFGDGFLH-PWSUYJOCSA-N 1 1 302.400 1.226 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000067547214 407275532 /nfs/dbraw/zinc/27/55/32/407275532.db2.gz MUSIIYYPXBUAPR-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159545 407407074 /nfs/dbraw/zinc/40/70/74/407407074.db2.gz DBVNIYMGBRDROW-WWHJXGCHSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159545 407407075 /nfs/dbraw/zinc/40/70/75/407407075.db2.gz DBVNIYMGBRDROW-WWHJXGCHSA-N 1 1 300.380 1.327 20 5 DDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc([S@@](C)=O)cc1 ZINC000178420524 407451976 /nfs/dbraw/zinc/45/19/76/407451976.db2.gz ONSTYBKVSHSKLK-JOCHJYFZSA-N 1 1 322.390 1.661 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc([S@@](C)=O)cc1 ZINC000178420524 407451981 /nfs/dbraw/zinc/45/19/81/407451981.db2.gz ONSTYBKVSHSKLK-JOCHJYFZSA-N 1 1 322.390 1.661 20 5 DDBDMO CC[N@H+](Cc1ccncc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270998746 407460169 /nfs/dbraw/zinc/46/01/69/407460169.db2.gz JWLTXNHXNIQTSG-AWEZNQCLSA-N 1 1 305.338 1.069 20 5 DDBDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000271173368 407553410 /nfs/dbraw/zinc/55/34/10/407553410.db2.gz DUZLUPTXNLJIGG-MRXNPFEDSA-N 1 1 321.377 1.821 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCOC1 ZINC000178758331 407587622 /nfs/dbraw/zinc/58/76/22/407587622.db2.gz DOSLYBLMUIBPIB-LBPRGKRZSA-N 1 1 319.361 1.452 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000178623873 407518050 /nfs/dbraw/zinc/51/80/50/407518050.db2.gz ANFSWBMDTWCALO-CQSZACIVSA-N 1 1 318.377 1.622 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)Cn1cccn1 ZINC000171637167 407729016 /nfs/dbraw/zinc/72/90/16/407729016.db2.gz NDWXUFDFDTWYCH-ZDUSSCGKSA-N 1 1 324.768 1.938 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)Cn1cccn1 ZINC000171637167 407729024 /nfs/dbraw/zinc/72/90/24/407729024.db2.gz NDWXUFDFDTWYCH-ZDUSSCGKSA-N 1 1 324.768 1.938 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186786567 407768548 /nfs/dbraw/zinc/76/85/48/407768548.db2.gz USRBEUYGTNZQDC-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186786567 407768553 /nfs/dbraw/zinc/76/85/53/407768553.db2.gz USRBEUYGTNZQDC-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216211 407951750 /nfs/dbraw/zinc/95/17/50/407951750.db2.gz PNXGBLYEUFLPCL-BXKDBHETSA-N 1 1 304.350 1.390 20 5 DDBDMO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272542557 407970776 /nfs/dbraw/zinc/97/07/76/407970776.db2.gz OBFZMDZAHAUTDN-LBPRGKRZSA-N 1 1 307.350 1.905 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272542557 407970783 /nfs/dbraw/zinc/97/07/83/407970783.db2.gz OBFZMDZAHAUTDN-LBPRGKRZSA-N 1 1 307.350 1.905 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272551633 407979436 /nfs/dbraw/zinc/97/94/36/407979436.db2.gz YZHHRYHZBYRZKB-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000189677328 408077633 /nfs/dbraw/zinc/07/76/33/408077633.db2.gz HNODVCDYVHVARO-GFUIURDCSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220800 408098186 /nfs/dbraw/zinc/09/81/86/408098186.db2.gz DQGXXAUHODJIDV-RDBSUJKOSA-N 1 1 324.377 1.570 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190031992 408150744 /nfs/dbraw/zinc/15/07/44/408150744.db2.gz WUNRGZWWLALBSE-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190031992 408150750 /nfs/dbraw/zinc/15/07/50/408150750.db2.gz WUNRGZWWLALBSE-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246280443 408204140 /nfs/dbraw/zinc/20/41/40/408204140.db2.gz NLYGOXXKLVNOLB-UKRRQHHQSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000190312657 408218975 /nfs/dbraw/zinc/21/89/75/408218975.db2.gz DFGLEORXZWKCOC-NXEZZACHSA-N 1 1 300.384 1.963 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190365677 408229921 /nfs/dbraw/zinc/22/99/21/408229921.db2.gz IXZDEASTPPHPHQ-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000176244456 408322702 /nfs/dbraw/zinc/32/27/02/408322702.db2.gz KEJWJPQFEZHJFX-UHFFFAOYSA-N 1 1 321.381 1.268 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269330190 408269933 /nfs/dbraw/zinc/26/99/33/408269933.db2.gz DYUBOUYKGAWOFI-SNVBAGLBSA-N 1 1 309.370 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269330190 408269939 /nfs/dbraw/zinc/26/99/39/408269939.db2.gz DYUBOUYKGAWOFI-SNVBAGLBSA-N 1 1 309.370 1.465 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269330190 408269942 /nfs/dbraw/zinc/26/99/42/408269942.db2.gz DYUBOUYKGAWOFI-SNVBAGLBSA-N 1 1 309.370 1.465 20 5 DDBDMO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182915985 408283921 /nfs/dbraw/zinc/28/39/21/408283921.db2.gz KHORAWIKOZHTAY-AWEZNQCLSA-N 1 1 315.329 1.517 20 5 DDBDMO Cc1noc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176214805 408313439 /nfs/dbraw/zinc/31/34/39/408313439.db2.gz PLNZNMSQJIPMRR-LLVKDONJSA-N 1 1 306.326 1.362 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134133879 162072094 /nfs/dbraw/zinc/07/20/94/162072094.db2.gz MNVLZXJKYFCIFL-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000173337350 162333821 /nfs/dbraw/zinc/33/38/21/162333821.db2.gz HDTBCMQPBLHPFC-UHFFFAOYSA-N 1 1 303.362 1.834 20 5 DDBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000269743849 408414186 /nfs/dbraw/zinc/41/41/86/408414186.db2.gz XXPVOWQDCPYLDH-AWEZNQCLSA-N 1 1 321.381 1.315 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)n1 ZINC000191783820 408491244 /nfs/dbraw/zinc/49/12/44/408491244.db2.gz KHRLFCIDMYATHE-NWDGAFQWSA-N 1 1 323.397 1.661 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000176868388 408462466 /nfs/dbraw/zinc/46/24/66/408462466.db2.gz NKLJEFKFQBVKBO-MNOVXSKESA-N 1 1 306.366 1.732 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000248683818 408616530 /nfs/dbraw/zinc/61/65/30/408616530.db2.gz XXCHNHFZLGYWLR-NEPJUHHUSA-N 1 1 321.381 1.510 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000184610803 408655753 /nfs/dbraw/zinc/65/57/53/408655753.db2.gz JBPMTJZFJXQGHB-UHFFFAOYSA-N 1 1 310.354 1.339 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@H](C)C1 ZINC000281611749 408896270 /nfs/dbraw/zinc/89/62/70/408896270.db2.gz ZEULRBKZEWHTSF-ZJUUUORDSA-N 1 1 312.345 1.207 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277368849 408928368 /nfs/dbraw/zinc/92/83/68/408928368.db2.gz CWCTUDUOHDYKCQ-NSHDSACASA-N 1 1 323.349 1.054 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000190926540 163165100 /nfs/dbraw/zinc/16/51/00/163165100.db2.gz AWVJWLBRHGXFAU-XUJVJEKNSA-N 1 1 319.361 1.260 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277386081 408930799 /nfs/dbraw/zinc/93/07/99/408930799.db2.gz BOCNNUTYQIFZAA-LLVKDONJSA-N 1 1 321.381 1.627 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292251369 409009976 /nfs/dbraw/zinc/00/99/76/409009976.db2.gz XSEYDZDJXBDWEJ-UHFFFAOYSA-N 1 1 310.350 1.829 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000246283004 163473295 /nfs/dbraw/zinc/47/32/95/163473295.db2.gz NVVMKYAMGGBPLV-RRFJBIMHSA-N 1 1 324.402 1.835 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278483367 409084381 /nfs/dbraw/zinc/08/43/81/409084381.db2.gz VPGSPOJZVOEPRR-NSHDSACASA-N 1 1 305.382 1.221 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000283104570 409088993 /nfs/dbraw/zinc/08/89/93/409088993.db2.gz WUOBBMLRHXXXIJ-GFCCVEGCSA-N 1 1 307.350 1.262 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000283104570 409088996 /nfs/dbraw/zinc/08/89/96/409088996.db2.gz WUOBBMLRHXXXIJ-GFCCVEGCSA-N 1 1 307.350 1.262 20 5 DDBDMO C[C@H]1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000279275597 409182702 /nfs/dbraw/zinc/18/27/02/409182702.db2.gz VYRDHFIKWPLGHR-JSGCOSHPSA-N 1 1 305.378 1.984 20 5 DDBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293899384 409202878 /nfs/dbraw/zinc/20/28/78/409202878.db2.gz FEAKNUCATPGQJN-BETUJISGSA-N 1 1 320.393 1.582 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000284269191 409307484 /nfs/dbraw/zinc/30/74/84/409307484.db2.gz GUUBLVWFPPMXQL-UONOGXRCSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000280470162 409317237 /nfs/dbraw/zinc/31/72/37/409317237.db2.gz GKMZEDMYQVVGQO-GFCCVEGCSA-N 1 1 307.350 1.492 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295716167 409364957 /nfs/dbraw/zinc/36/49/57/409364957.db2.gz NPCIKBZWBGXZGR-GFCCVEGCSA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000295221549 409382582 /nfs/dbraw/zinc/38/25/82/409382582.db2.gz MSWMQAVOMITKRP-AWEZNQCLSA-N 1 1 311.313 1.134 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000290448222 409406052 /nfs/dbraw/zinc/40/60/52/409406052.db2.gz CWCJKQDCJIMTLG-WDEREUQCSA-N 1 1 305.338 1.127 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000295333568 409439737 /nfs/dbraw/zinc/43/97/37/409439737.db2.gz XTJFFXHUEZTAHQ-CQSZACIVSA-N 1 1 311.313 1.377 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000321723620 164045428 /nfs/dbraw/zinc/04/54/28/164045428.db2.gz ZXTUUSQAZQLYMG-QWHCGFSZSA-N 1 1 318.377 1.993 20 5 DDBDMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056020 164211294 /nfs/dbraw/zinc/21/12/94/164211294.db2.gz ZXDBQFPOGNWTQW-WDEREUQCSA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056020 164211296 /nfs/dbraw/zinc/21/12/96/164211296.db2.gz ZXDBQFPOGNWTQW-WDEREUQCSA-N 1 1 307.354 1.027 20 5 DDBDMO Cc1nc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453157 409566750 /nfs/dbraw/zinc/56/67/50/409566750.db2.gz IWHUKZBRKONVSM-PHIMTYICSA-N 1 1 323.397 1.993 20 5 DDBDMO Cc1nc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453157 409566753 /nfs/dbraw/zinc/56/67/53/409566753.db2.gz IWHUKZBRKONVSM-PHIMTYICSA-N 1 1 323.397 1.993 20 5 DDBDMO COC(=O)c1cc(OC[C@@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290750589 409507754 /nfs/dbraw/zinc/50/77/54/409507754.db2.gz ISCFUJJJPHANIL-NSHDSACASA-N 1 1 324.333 1.215 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356747720 409568745 /nfs/dbraw/zinc/56/87/45/409568745.db2.gz TZXKCFJVOHCXCO-VIFPVBQESA-N 1 1 312.345 1.775 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CO)o2)cc1 ZINC000303049558 409530229 /nfs/dbraw/zinc/53/02/29/409530229.db2.gz ZMJDAUYJFGGLSF-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CO)o2)cc1 ZINC000303049558 409530237 /nfs/dbraw/zinc/53/02/37/409530237.db2.gz ZMJDAUYJFGGLSF-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO Cc1c(C[N@@H+](CCO)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000304670830 409636782 /nfs/dbraw/zinc/63/67/82/409636782.db2.gz CBRRLTVCDLRENH-UHFFFAOYSA-N 1 1 323.393 1.030 20 5 DDBDMO Cc1nccn1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604848 409758514 /nfs/dbraw/zinc/75/85/14/409758514.db2.gz FXKTZMKAVIHLED-CYBMUJFWSA-N 1 1 316.365 1.681 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354616988 409971707 /nfs/dbraw/zinc/97/17/07/409971707.db2.gz WHRLLDXQHIETOP-CYBMUJFWSA-N 1 1 307.350 1.132 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357425037 410032571 /nfs/dbraw/zinc/03/25/71/410032571.db2.gz RNABGSZGIMXGOO-QWHCGFSZSA-N 1 1 321.377 1.963 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000346691741 410087012 /nfs/dbraw/zinc/08/70/12/410087012.db2.gz WAZSXXSPSZRMFJ-BXKDBHETSA-N 1 1 321.333 1.077 20 5 DDBDMO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000351753342 410212134 /nfs/dbraw/zinc/21/21/34/410212134.db2.gz FDSJLQOFXHIFOL-IUCAKERBSA-N 1 1 303.322 1.280 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(F)cc1[N+](=O)[O-] ZINC000299002305 410480428 /nfs/dbraw/zinc/48/04/28/410480428.db2.gz JWXRWTRYIVHTFN-NEPJUHHUSA-N 1 1 322.340 1.673 20 5 DDBDMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243507 410670591 /nfs/dbraw/zinc/67/05/91/410670591.db2.gz HGVHLLITUISMBA-NEPJUHHUSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243507 410670594 /nfs/dbraw/zinc/67/05/94/410670594.db2.gz HGVHLLITUISMBA-NEPJUHHUSA-N 1 1 323.349 1.005 20 5 DDBDMO COCC[N@@H+](C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361591 410647017 /nfs/dbraw/zinc/64/70/17/410647017.db2.gz RXPYLRRIZCLCNP-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCN(C)CC1 ZINC000359414120 410649060 /nfs/dbraw/zinc/64/90/60/410649060.db2.gz GKAHNHFIIYAPAP-UHFFFAOYSA-N 1 1 310.402 1.169 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000343829903 410731737 /nfs/dbraw/zinc/73/17/37/410731737.db2.gz NHUCSGXQWPTVRC-HZMBPMFUSA-N 1 1 319.361 1.816 20 5 DDBDMO CC[C@@]1(C)COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762175 410677728 /nfs/dbraw/zinc/67/77/28/410677728.db2.gz KUQLDNKEIYNLCT-CJNGLKHVSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762175 410677735 /nfs/dbraw/zinc/67/77/35/410677735.db2.gz KUQLDNKEIYNLCT-CJNGLKHVSA-N 1 1 324.377 1.835 20 5 DDBDMO CCOc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301633395 410759470 /nfs/dbraw/zinc/75/94/70/410759470.db2.gz DIZVMCFTQYDSSY-DZGCQCFKSA-N 1 1 307.350 1.513 20 5 DDBDMO Cc1c(CC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330581322 410798092 /nfs/dbraw/zinc/79/80/92/410798092.db2.gz JBGSCRZQYMPNPB-RYUDHWBXSA-N 1 1 305.378 1.997 20 5 DDBDMO Cc1nn(C)c(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301884953 410822666 /nfs/dbraw/zinc/82/26/66/410822666.db2.gz ZEUDTZFHPMEKEJ-NWDGAFQWSA-N 1 1 309.370 1.302 20 5 DDBDMO Cc1nn(C)c(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301884953 410822673 /nfs/dbraw/zinc/82/26/73/410822673.db2.gz ZEUDTZFHPMEKEJ-NWDGAFQWSA-N 1 1 309.370 1.302 20 5 DDBDMO C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343962749 410854679 /nfs/dbraw/zinc/85/46/79/410854679.db2.gz CNBDLTGLTFYFNN-GHMZBOCLSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343962749 410854689 /nfs/dbraw/zinc/85/46/89/410854689.db2.gz CNBDLTGLTFYFNN-GHMZBOCLSA-N 1 1 313.379 1.356 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000356253895 410924598 /nfs/dbraw/zinc/92/45/98/410924598.db2.gz NKZSBITVCYXNFV-HNNXBMFYSA-N 1 1 321.381 1.369 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344068253 410934767 /nfs/dbraw/zinc/93/47/67/410934767.db2.gz QIRRRIFZUGCELZ-SFDCQRBFSA-N 1 1 322.361 1.037 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331111880 410955855 /nfs/dbraw/zinc/95/58/55/410955855.db2.gz LMHTXUFSHZBTBD-STQMWFEESA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331111880 410955857 /nfs/dbraw/zinc/95/58/57/410955857.db2.gz LMHTXUFSHZBTBD-STQMWFEESA-N 1 1 324.377 1.834 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000353490964 411027009 /nfs/dbraw/zinc/02/70/09/411027009.db2.gz LOKGZRXUJWUTON-WDEREUQCSA-N 1 1 321.381 1.517 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000353500889 411035574 /nfs/dbraw/zinc/03/55/74/411035574.db2.gz YFZZDNRSPNRTRE-UHFFFAOYSA-N 1 1 323.349 1.387 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358062408 299062192 /nfs/dbraw/zinc/06/21/92/299062192.db2.gz HTVXAXXVGZNKIE-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374018909 418483865 /nfs/dbraw/zinc/48/38/65/418483865.db2.gz QCDWTCAAEFIBHI-IPYPFGDCSA-N 1 1 324.381 1.450 20 5 DDBDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374018909 418483867 /nfs/dbraw/zinc/48/38/67/418483867.db2.gz QCDWTCAAEFIBHI-IPYPFGDCSA-N 1 1 324.381 1.450 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000212577584 418559301 /nfs/dbraw/zinc/55/93/01/418559301.db2.gz DPMQPCQGZBUZNP-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000367840327 418644182 /nfs/dbraw/zinc/64/41/82/418644182.db2.gz QDSKXAXHFFTWHW-QWRGUYRKSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000367840327 418644183 /nfs/dbraw/zinc/64/41/83/418644183.db2.gz QDSKXAXHFFTWHW-QWRGUYRKSA-N 1 1 323.736 1.343 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293310 418619431 /nfs/dbraw/zinc/61/94/31/418619431.db2.gz WNBCFRFCADELGR-SMDDNHRTSA-N 1 1 304.350 1.546 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000368224466 418706980 /nfs/dbraw/zinc/70/69/80/418706980.db2.gz UHJFAIAKTIKXIE-HNNXBMFYSA-N 1 1 302.334 1.731 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368072062 418684725 /nfs/dbraw/zinc/68/47/25/418684725.db2.gz ODNKGJJCUICUSI-DGCLKSJQSA-N 1 1 305.334 1.171 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000368134956 418694187 /nfs/dbraw/zinc/69/41/87/418694187.db2.gz NRKSZIISJLEGLB-JTQLQIEISA-N 1 1 323.349 1.309 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000408025347 418782482 /nfs/dbraw/zinc/78/24/82/418782482.db2.gz BCEFJGYNIBODNU-CHWSQXEVSA-N 1 1 306.366 1.516 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990172 418755491 /nfs/dbraw/zinc/75/54/91/418755491.db2.gz BZKUJDSQYWJIFQ-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990172 418755494 /nfs/dbraw/zinc/75/54/94/418755494.db2.gz BZKUJDSQYWJIFQ-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990172 418755496 /nfs/dbraw/zinc/75/54/96/418755496.db2.gz BZKUJDSQYWJIFQ-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232283 418770056 /nfs/dbraw/zinc/77/00/56/418770056.db2.gz ROBIQQXDXUMAES-OLZOCXBDSA-N 1 1 319.361 1.892 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468283 418778444 /nfs/dbraw/zinc/77/84/44/418778444.db2.gz ZOLKBZIFPFNPDL-ZIAGYGMSSA-N 1 1 305.334 1.188 20 5 DDBDMO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290152 418851531 /nfs/dbraw/zinc/85/15/31/418851531.db2.gz VRYMMDBOGHEVIL-OLZOCXBDSA-N 1 1 323.397 1.589 20 5 DDBDMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372290152 418851533 /nfs/dbraw/zinc/85/15/33/418851533.db2.gz VRYMMDBOGHEVIL-OLZOCXBDSA-N 1 1 323.397 1.589 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])CC2)C1CC1 ZINC000372840211 418907461 /nfs/dbraw/zinc/90/74/61/418907461.db2.gz VWHYNTQPSQAING-UBHSHLNASA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840211 418907465 /nfs/dbraw/zinc/90/74/65/418907465.db2.gz VWHYNTQPSQAING-UBHSHLNASA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2)C1CC1 ZINC000372840211 418907468 /nfs/dbraw/zinc/90/74/68/418907468.db2.gz VWHYNTQPSQAING-UBHSHLNASA-N 1 1 307.394 1.375 20 5 DDBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000365833395 418914570 /nfs/dbraw/zinc/91/45/70/418914570.db2.gz FSSZVOCZGFZNQM-ZDUSSCGKSA-N 1 1 321.381 1.268 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420996431 419431686 /nfs/dbraw/zinc/43/16/86/419431686.db2.gz ATNUYQRECVNQAN-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420997700 419434159 /nfs/dbraw/zinc/43/41/59/419434159.db2.gz BCLNCNVTXGJOHY-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420997700 419434169 /nfs/dbraw/zinc/43/41/69/419434169.db2.gz BCLNCNVTXGJOHY-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412093750 419651049 /nfs/dbraw/zinc/65/10/49/419651049.db2.gz WPIXOVYHDZAWFK-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC3)CC2)n1 ZINC000427845453 419751121 /nfs/dbraw/zinc/75/11/21/419751121.db2.gz XMLVHJKMJXJXKI-UHFFFAOYSA-N 1 1 307.354 1.122 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000299527698 229182580 /nfs/dbraw/zinc/18/25/80/229182580.db2.gz MMYFZXQYICRNLT-UHFFFAOYSA-N 1 1 317.349 1.596 20 5 DDBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000429354202 420008206 /nfs/dbraw/zinc/00/82/06/420008206.db2.gz MICGVRSKNSCSTK-CYBMUJFWSA-N 1 1 307.398 1.598 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000430198463 420089459 /nfs/dbraw/zinc/08/94/59/420089459.db2.gz YNWHQGFIFJYYCB-OAHLLOKOSA-N 1 1 324.333 1.415 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1CC([NH3+])C1 ZINC000420330621 420215248 /nfs/dbraw/zinc/21/52/48/420215248.db2.gz LJENYVGGMHGRQY-UHFFFAOYSA-N 1 1 306.366 1.653 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420383080 420250868 /nfs/dbraw/zinc/25/08/68/420250868.db2.gz BGDBFWLMQSQMEP-UHFFFAOYSA-N 1 1 324.381 1.473 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000453023684 420702713 /nfs/dbraw/zinc/70/27/13/420702713.db2.gz DKCMXPLENMHPKS-YPMHNXCESA-N 1 1 321.402 1.849 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000454139182 420805449 /nfs/dbraw/zinc/80/54/49/420805449.db2.gz DLWVXWGJWBYVAH-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000454139182 420805454 /nfs/dbraw/zinc/80/54/54/420805454.db2.gz DLWVXWGJWBYVAH-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493392997 420837001 /nfs/dbraw/zinc/83/70/01/420837001.db2.gz RGDQNIDBGATEGH-WXJAXGNASA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493392997 420837002 /nfs/dbraw/zinc/83/70/02/420837002.db2.gz RGDQNIDBGATEGH-WXJAXGNASA-N 1 1 319.361 1.133 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456017553 421090053 /nfs/dbraw/zinc/09/00/53/421090053.db2.gz ZBKHHBNCDGUFIE-ZJUUUORDSA-N 1 1 307.354 1.244 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456357982 421149035 /nfs/dbraw/zinc/14/90/35/421149035.db2.gz STPCNWPTICWYJX-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000450279458 421176372 /nfs/dbraw/zinc/17/63/72/421176372.db2.gz VHGUUFITBFQCBR-LBPRGKRZSA-N 1 1 319.361 1.959 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489925374 421180816 /nfs/dbraw/zinc/18/08/16/421180816.db2.gz OEBJIKQXLCZAEG-SNVBAGLBSA-N 1 1 315.333 1.578 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000546103786 421285340 /nfs/dbraw/zinc/28/53/40/421285340.db2.gz YTCNARAZFZTCBF-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@]1(C)CO ZINC000546103786 421285343 /nfs/dbraw/zinc/28/53/43/421285343.db2.gz YTCNARAZFZTCBF-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386069 421431764 /nfs/dbraw/zinc/43/17/64/421431764.db2.gz YGYPHONTTFSNJH-WDEREUQCSA-N 1 1 321.381 1.422 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2(C)C)cn1 ZINC000571341435 421706831 /nfs/dbraw/zinc/70/68/31/421706831.db2.gz LEBARNAKWSGBFX-LBPRGKRZSA-N 1 1 318.381 1.687 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581414159 421965321 /nfs/dbraw/zinc/96/53/21/421965321.db2.gz QFKPYJBCDJWJMO-CYBMUJFWSA-N 1 1 306.366 1.830 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000584788293 422300867 /nfs/dbraw/zinc/30/08/67/422300867.db2.gz KNBGKSYFTYFFLN-WDEREUQCSA-N 1 1 321.381 1.586 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000584788292 422301402 /nfs/dbraw/zinc/30/14/02/422301402.db2.gz KNBGKSYFTYFFLN-QWRGUYRKSA-N 1 1 321.381 1.586 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-] ZINC000595461061 422356663 /nfs/dbraw/zinc/35/66/63/422356663.db2.gz LGJONEBMITWOHM-SNVBAGLBSA-N 1 1 318.337 1.643 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[N+](=O)[O-] ZINC000595461061 422356671 /nfs/dbraw/zinc/35/66/71/422356671.db2.gz LGJONEBMITWOHM-SNVBAGLBSA-N 1 1 318.337 1.643 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000345004406 272154786 /nfs/dbraw/zinc/15/47/86/272154786.db2.gz ANZCOJNAMTWKAZ-JTQLQIEISA-N 1 1 312.345 1.209 20 5 DDBDMO C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000156654502 274289822 /nfs/dbraw/zinc/28/98/22/274289822.db2.gz FIMBZDGVSAXHPG-NOZJJQNGSA-N 1 1 317.349 1.671 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CCCO)CC1 ZINC000269340700 275033574 /nfs/dbraw/zinc/03/35/74/275033574.db2.gz CBSWNMUKKDHOHY-UHFFFAOYSA-N 1 1 300.746 1.148 20 5 DDBDMO CCOC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000459711059 276330563 /nfs/dbraw/zinc/33/05/63/276330563.db2.gz LVONBXMSGVPNAT-AWEZNQCLSA-N 1 1 309.366 1.648 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488767897 277161101 /nfs/dbraw/zinc/16/11/01/277161101.db2.gz LJRPKPDSVWXJPK-OAHLLOKOSA-N 1 1 304.350 1.226 20 5 DDBDMO COc1cccc(N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000185425702 278015702 /nfs/dbraw/zinc/01/57/02/278015702.db2.gz KHAPILNSLWAZTI-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000122605134 281158939 /nfs/dbraw/zinc/15/89/39/281158939.db2.gz OUCRHFDGFCBMEJ-HNNXBMFYSA-N 1 1 318.377 1.757 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125286492 281205804 /nfs/dbraw/zinc/20/58/04/281205804.db2.gz LJSJMAZWIYLTEW-CYBMUJFWSA-N 1 1 318.377 1.757 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCOC1 ZINC000247212256 282038536 /nfs/dbraw/zinc/03/85/36/282038536.db2.gz XZCLADODYOWOBH-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000362940575 300183778 /nfs/dbraw/zinc/18/37/78/300183778.db2.gz GMQFHPVMTOFILI-QGZVFWFLSA-N 1 1 318.421 1.807 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000368590253 301060198 /nfs/dbraw/zinc/06/01/98/301060198.db2.gz KJKJCAFWGXTFHR-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000368590251 301060281 /nfs/dbraw/zinc/06/02/81/301060281.db2.gz KJKJCAFWGXTFHR-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869458 302007715 /nfs/dbraw/zinc/00/77/15/302007715.db2.gz AGBULJABLODGJF-OLZOCXBDSA-N 1 1 307.398 1.777 20 5 DDBDMO COC(C)(C)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000531829408 303259916 /nfs/dbraw/zinc/25/99/16/303259916.db2.gz HIDDBKIFLGPWJN-ZDUSSCGKSA-N 1 1 312.366 1.691 20 5 DDBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000531918227 303266068 /nfs/dbraw/zinc/26/60/68/303266068.db2.gz APWQKZBWFCKHIR-JSGCOSHPSA-N 1 1 322.365 1.296 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536033719 303354254 /nfs/dbraw/zinc/35/42/54/303354254.db2.gz AMOXTZPMIOVJPC-AWEZNQCLSA-N 1 1 314.345 1.850 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536033719 303354257 /nfs/dbraw/zinc/35/42/57/303354257.db2.gz AMOXTZPMIOVJPC-AWEZNQCLSA-N 1 1 314.345 1.850 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362073542 307012837 /nfs/dbraw/zinc/01/28/37/307012837.db2.gz XNAXAFUMIYSNRX-RYUDHWBXSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362073542 307012838 /nfs/dbraw/zinc/01/28/38/307012838.db2.gz XNAXAFUMIYSNRX-RYUDHWBXSA-N 1 1 307.350 1.402 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593315 307032278 /nfs/dbraw/zinc/03/22/78/307032278.db2.gz XYTZNWXWUQWIMD-KBPBESRZSA-N 1 1 321.381 1.267 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366117965 307068316 /nfs/dbraw/zinc/06/83/16/307068316.db2.gz GQLBEYOIFDGWQS-LBPRGKRZSA-N 1 1 322.390 1.253 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368793276 307109899 /nfs/dbraw/zinc/10/98/99/307109899.db2.gz URGHSFCMPWFLND-HNNXBMFYSA-N 1 1 321.377 1.648 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374040292 307200128 /nfs/dbraw/zinc/20/01/28/307200128.db2.gz UQNBGZKKTULFLK-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374040292 307200129 /nfs/dbraw/zinc/20/01/29/307200129.db2.gz UQNBGZKKTULFLK-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]21 ZINC000375047436 307217979 /nfs/dbraw/zinc/21/79/79/307217979.db2.gz DDQQTRDWIAFFNO-WDEREUQCSA-N 1 1 302.338 1.168 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000570120485 308159750 /nfs/dbraw/zinc/15/97/50/308159750.db2.gz SPSHJSYSRREYTL-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000570120485 308159752 /nfs/dbraw/zinc/15/97/52/308159752.db2.gz SPSHJSYSRREYTL-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000576943378 308351202 /nfs/dbraw/zinc/35/12/02/308351202.db2.gz FLERLIYBVIRYFJ-SNVBAGLBSA-N 1 1 313.379 1.140 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000582540389 337106751 /nfs/dbraw/zinc/10/67/51/337106751.db2.gz XKJSXQGFHZFHIV-BETUJISGSA-N 1 1 303.362 1.845 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000582724548 337125603 /nfs/dbraw/zinc/12/56/03/337125603.db2.gz ZVZXYFQCZZVFDK-HIFRSBDPSA-N 1 1 317.349 1.037 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488732582 484215355 /nfs/dbraw/zinc/21/53/55/484215355.db2.gz KHRLFTZTGGDMPB-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488732582 484215352 /nfs/dbraw/zinc/21/53/52/484215352.db2.gz KHRLFTZTGGDMPB-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000575474894 484351561 /nfs/dbraw/zinc/35/15/61/484351561.db2.gz KJZOYGYPTBENIY-NSHDSACASA-N 1 1 321.333 1.490 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000575474894 484351568 /nfs/dbraw/zinc/35/15/68/484351568.db2.gz KJZOYGYPTBENIY-NSHDSACASA-N 1 1 321.333 1.490 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@]1(C)CO ZINC000595874492 490371963 /nfs/dbraw/zinc/37/19/63/490371963.db2.gz PCNNODFNRQTKFK-ZBEGNZNMSA-N 1 1 322.361 1.912 20 5 DDBDMO COc1cc(CN2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000452136163 533810449 /nfs/dbraw/zinc/81/04/49/533810449.db2.gz XMFXCRPNSWORDN-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCC[N@H+](CCCO)C3)nc2c1 ZINC000295006584 534883609 /nfs/dbraw/zinc/88/36/09/534883609.db2.gz SAZSWNVOVMZRPG-LLVKDONJSA-N 1 1 319.365 1.730 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](CO)C3)o2)cc1 ZINC000157406195 527344531 /nfs/dbraw/zinc/34/45/31/527344531.db2.gz MCMZYSASHYQJSD-JTQLQIEISA-N 1 1 304.306 1.459 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](CO)C3)o2)cc1 ZINC000157406195 527344536 /nfs/dbraw/zinc/34/45/36/527344536.db2.gz MCMZYSASHYQJSD-JTQLQIEISA-N 1 1 304.306 1.459 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000433826384 527999618 /nfs/dbraw/zinc/99/96/18/527999618.db2.gz OCIYMLYDMOHRSB-UHFFFAOYSA-N 1 1 311.386 1.901 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)CCC(F)(F)F ZINC000493366032 528504212 /nfs/dbraw/zinc/50/42/12/528504212.db2.gz RKNVSOLJERBIAP-UHFFFAOYSA-N 1 1 322.287 1.927 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@@H+](CCO)CC2)c1 ZINC000747216172 700060580 /nfs/dbraw/zinc/06/05/80/700060580.db2.gz MYDKKNGUBGFPLP-UHFFFAOYSA-N 1 1 313.329 1.247 20 5 DDBDMO C[N@@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000054519539 696277005 /nfs/dbraw/zinc/27/70/05/696277005.db2.gz JYMVKUPQXKHQFU-AWEZNQCLSA-N 1 1 301.350 1.738 20 5 DDBDMO C[N@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000054519539 696277006 /nfs/dbraw/zinc/27/70/06/696277006.db2.gz JYMVKUPQXKHQFU-AWEZNQCLSA-N 1 1 301.350 1.738 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000118957132 696675817 /nfs/dbraw/zinc/67/58/17/696675817.db2.gz NDEYZCKNMQZWSV-UHFFFAOYSA-N 1 1 308.334 1.813 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000748351297 700112809 /nfs/dbraw/zinc/11/28/09/700112809.db2.gz SUJBOSKCRRXZQX-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000748351297 700112810 /nfs/dbraw/zinc/11/28/10/700112810.db2.gz SUJBOSKCRRXZQX-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000164564110 697336948 /nfs/dbraw/zinc/33/69/48/697336948.db2.gz FTJQSONDZGXEON-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000164564110 697336949 /nfs/dbraw/zinc/33/69/49/697336949.db2.gz FTJQSONDZGXEON-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO CC1(O)CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000177188951 697410448 /nfs/dbraw/zinc/41/04/48/697410448.db2.gz ZHLLJOCALMYWQP-UHFFFAOYSA-N 1 1 317.349 1.658 20 5 DDBDMO CC1(O)CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000177189726 697410499 /nfs/dbraw/zinc/41/04/99/697410499.db2.gz NHCYQILAELORGU-UHFFFAOYSA-N 1 1 317.349 1.658 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000177212782 697410671 /nfs/dbraw/zinc/41/06/71/697410671.db2.gz JPSVRABOQQTTFA-HNNXBMFYSA-N 1 1 318.333 1.787 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](CCO)CC1 ZINC000236494734 697796101 /nfs/dbraw/zinc/79/61/01/697796101.db2.gz CNUAWZFEBUTZDY-UHFFFAOYSA-N 1 1 303.721 1.502 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582146 698120962 /nfs/dbraw/zinc/12/09/62/698120962.db2.gz RKFKOZGLDACWKR-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582146 698120965 /nfs/dbraw/zinc/12/09/65/698120965.db2.gz RKFKOZGLDACWKR-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000778355891 698267919 /nfs/dbraw/zinc/26/79/19/698267919.db2.gz MICBHXBNMNHETL-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000779708787 698455084 /nfs/dbraw/zinc/45/50/84/698455084.db2.gz XYWHYOGIKJSHCV-NWDGAFQWSA-N 1 1 319.365 1.134 20 5 DDBDMO C[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000780394350 698515304 /nfs/dbraw/zinc/51/53/04/698515304.db2.gz JVJKOPNVYNQDBP-NSHDSACASA-N 1 1 307.350 1.905 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000729285982 699475849 /nfs/dbraw/zinc/47/58/49/699475849.db2.gz VUCIOSRFKZBLCH-JTQLQIEISA-N 1 1 304.350 1.452 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729527396 699481599 /nfs/dbraw/zinc/48/15/99/699481599.db2.gz MGAFKUUHQFIUCR-GFCCVEGCSA-N 1 1 320.393 1.946 20 5 DDBDMO C[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681861 699484874 /nfs/dbraw/zinc/48/48/74/699484874.db2.gz LIZCFPPYOMBUBT-SNVBAGLBSA-N 1 1 301.293 1.990 20 5 DDBDMO C[N@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000729681861 699484876 /nfs/dbraw/zinc/48/48/76/699484876.db2.gz LIZCFPPYOMBUBT-SNVBAGLBSA-N 1 1 301.293 1.990 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000732960442 699575820 /nfs/dbraw/zinc/57/58/20/699575820.db2.gz JPOQLMMMLWMJIM-UHFFFAOYSA-N 1 1 320.353 1.387 20 5 DDBDMO COC(=O)c1cnc(NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000790773812 699596323 /nfs/dbraw/zinc/59/63/23/699596323.db2.gz ZAYJQKMHSCKZKK-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000792871922 699720117 /nfs/dbraw/zinc/72/01/17/699720117.db2.gz NWIASTXSANDPNL-UHFFFAOYSA-N 1 1 322.321 1.651 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794710631 699826811 /nfs/dbraw/zinc/82/68/11/699826811.db2.gz HPMPSGBWVFMPDA-HNNXBMFYSA-N 1 1 317.349 1.408 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000744350066 699946350 /nfs/dbraw/zinc/94/63/50/699946350.db2.gz PYYQNEJXNNFMHK-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000754210411 700489762 /nfs/dbraw/zinc/48/97/62/700489762.db2.gz MPBSRIOXIMCMOD-UHFFFAOYSA-N 1 1 318.293 1.153 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839719796 701796635 /nfs/dbraw/zinc/79/66/35/701796635.db2.gz AUPCEZWOSJWTOI-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839719796 701796641 /nfs/dbraw/zinc/79/66/41/701796641.db2.gz AUPCEZWOSJWTOI-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839719796 701796647 /nfs/dbraw/zinc/79/66/47/701796647.db2.gz AUPCEZWOSJWTOI-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO Nc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810850731 701862450 /nfs/dbraw/zinc/86/24/50/701862450.db2.gz NXBIWAGIPBWRCM-NWDGAFQWSA-N 1 1 305.334 1.961 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cn3nc(C)c([N+](=O)[O-])c3C)[C@H]2C1 ZINC000840084188 701958617 /nfs/dbraw/zinc/95/86/17/701958617.db2.gz QMDJHMFFUIMEJU-UONOGXRCSA-N 1 1 323.397 1.161 20 5 DDBDMO Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000812337497 702161743 /nfs/dbraw/zinc/16/17/43/702161743.db2.gz GGERNZFMGWUMSA-OLZOCXBDSA-N 1 1 303.362 1.927 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H](CO)[C@H](CO)C3)c2c1 ZINC000866253300 706658171 /nfs/dbraw/zinc/65/81/71/706658171.db2.gz ATZQEERHMLKPEM-PHIMTYICSA-N 1 1 303.318 1.180 20 5 DDBDMO O=C1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538569 706728062 /nfs/dbraw/zinc/72/80/62/706728062.db2.gz FEQNXDSZNFNWOX-JSGCOSHPSA-N 1 1 317.345 1.579 20 5 DDBDMO CO[C@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481549 703555645 /nfs/dbraw/zinc/55/56/45/703555645.db2.gz ZZZVOGHIYCQCMF-GJZGRUSLSA-N 1 1 319.361 1.589 20 5 DDBDMO CO[C@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481549 703555647 /nfs/dbraw/zinc/55/56/47/703555647.db2.gz ZZZVOGHIYCQCMF-GJZGRUSLSA-N 1 1 319.361 1.589 20 5 DDBDMO C[C@@H]1C[C@H]1C(N)=[NH+]O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000848518519 703560396 /nfs/dbraw/zinc/56/03/96/703560396.db2.gz KRVCARVVVUYWBQ-WQAKAFBOSA-N 1 1 318.333 1.855 20 5 DDBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852096437 703922204 /nfs/dbraw/zinc/92/22/04/703922204.db2.gz KVULTFPKRPABQG-TVYUQYBPSA-N 1 1 314.363 1.057 20 5 DDBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000818585449 703931074 /nfs/dbraw/zinc/93/10/74/703931074.db2.gz CQTHPRJXJTURED-SECBINFHSA-N 1 1 319.695 1.927 20 5 DDBDMO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819176518 704081757 /nfs/dbraw/zinc/08/17/57/704081757.db2.gz FCIVOQBBWVMQDM-ZUZCIYMTSA-N 1 1 304.350 1.881 20 5 DDBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819177546 704082182 /nfs/dbraw/zinc/08/21/82/704082182.db2.gz OFNDMLVRVBEVSI-BMIGLBTASA-N 1 1 304.350 1.881 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000852651392 704092260 /nfs/dbraw/zinc/09/22/60/704092260.db2.gz BDZORCBHIRHVRE-GLQYFDAESA-N 1 1 322.361 1.759 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871149253 704230733 /nfs/dbraw/zinc/23/07/33/704230733.db2.gz CTEJAAMOQOLLCC-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000855285678 704477387 /nfs/dbraw/zinc/47/73/87/704477387.db2.gz ICYWRCVLKSVKJF-VIFPVBQESA-N 1 1 324.356 1.919 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC ZINC000858588778 704731476 /nfs/dbraw/zinc/73/14/76/704731476.db2.gz OWTGEUWCVHQBCD-NXEZZACHSA-N 1 1 311.338 1.662 20 5 DDBDMO CON1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000835076680 707167671 /nfs/dbraw/zinc/16/76/71/707167671.db2.gz UIZSSGCYMCUVDB-UHFFFAOYSA-N 1 1 324.337 1.961 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000861338952 705433224 /nfs/dbraw/zinc/43/32/24/705433224.db2.gz KMKMRHBCANVRCQ-UKRRQHHQSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824714703 705513166 /nfs/dbraw/zinc/51/31/66/705513166.db2.gz FCZBSDQLHNOESJ-AWEZNQCLSA-N 1 1 307.350 1.181 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000825526997 705687569 /nfs/dbraw/zinc/68/75/69/705687569.db2.gz KVCMCOYSMUXBHL-LSDHHAIUSA-N 1 1 321.377 1.081 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827269756 705964807 /nfs/dbraw/zinc/96/48/07/705964807.db2.gz ZUSKEJGTJNQOAH-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879041563 706570333 /nfs/dbraw/zinc/57/03/33/706570333.db2.gz HGIMBYQIQUNJPM-ZDUSSCGKSA-N 1 1 313.304 1.769 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424637 706969657 /nfs/dbraw/zinc/96/96/57/706969657.db2.gz JQTHRXHCUKVXBF-HUUCEWRRSA-N 1 1 310.350 1.709 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434019 706975156 /nfs/dbraw/zinc/97/51/56/706975156.db2.gz VOMMNTDVPXIFIM-RBSFLKMASA-N 1 1 310.350 1.364 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880526040 707003756 /nfs/dbraw/zinc/00/37/56/707003756.db2.gz BIXFRWVOPSLYHB-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880526040 707003759 /nfs/dbraw/zinc/00/37/59/707003759.db2.gz BIXFRWVOPSLYHB-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ncncc2C1 ZINC000880594152 707032300 /nfs/dbraw/zinc/03/23/00/707032300.db2.gz PHQPAIACDNDPAM-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ncncc2C1 ZINC000880594152 707032303 /nfs/dbraw/zinc/03/23/03/707032303.db2.gz PHQPAIACDNDPAM-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000872770857 707592516 /nfs/dbraw/zinc/59/25/16/707592516.db2.gz ASCFOBCKSSVNKI-LBPRGKRZSA-N 1 1 319.365 1.765 20 5 DDBDMO CC[C@H]1COCC[N@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000872770857 707592519 /nfs/dbraw/zinc/59/25/19/707592519.db2.gz ASCFOBCKSSVNKI-LBPRGKRZSA-N 1 1 319.365 1.765 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(CO)C2)cc1Cl ZINC000839160688 708031657 /nfs/dbraw/zinc/03/16/57/708031657.db2.gz SMWUVKUJBBMUBT-CYBMUJFWSA-N 1 1 300.742 1.567 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(CO)C2)cc1Cl ZINC000839160688 708031659 /nfs/dbraw/zinc/03/16/59/708031659.db2.gz SMWUVKUJBBMUBT-CYBMUJFWSA-N 1 1 300.742 1.567 20 5 DDBDMO C[C@@H](CNC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897078920 708224327 /nfs/dbraw/zinc/22/43/27/708224327.db2.gz YSGUZDFKCHLTRS-LBPRGKRZSA-N 1 1 306.366 1.655 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897221124 708259526 /nfs/dbraw/zinc/25/95/26/708259526.db2.gz HMEGXJYBBURCKT-OLZOCXBDSA-N 1 1 306.366 1.212 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)c2ccccc21 ZINC000884566644 708330813 /nfs/dbraw/zinc/33/08/13/708330813.db2.gz PSBJDDQYGULHIL-LLVKDONJSA-N 1 1 302.334 1.622 20 5 DDBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1cccnc1[N+](=O)[O-] ZINC000886171512 708709411 /nfs/dbraw/zinc/70/94/11/708709411.db2.gz IICCZSOYBGFUIU-UHFFFAOYSA-N 1 1 306.366 1.728 20 5 DDBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cccnc1[N+](=O)[O-] ZINC000886171512 708709414 /nfs/dbraw/zinc/70/94/14/708709414.db2.gz IICCZSOYBGFUIU-UHFFFAOYSA-N 1 1 306.366 1.728 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886574152 708779318 /nfs/dbraw/zinc/77/93/18/708779318.db2.gz QIRRRIFZUGCELZ-XPCVCDNBSA-N 1 1 322.361 1.037 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886577143 708780112 /nfs/dbraw/zinc/78/01/12/708780112.db2.gz XVGBWYJJIGANLG-BYCMXARLSA-N 1 1 319.361 1.626 20 5 DDBDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841647 708859425 /nfs/dbraw/zinc/85/94/25/708859425.db2.gz RLAJDBNPGDCLFN-KFWWJZLASA-N 1 1 320.393 1.851 20 5 DDBDMO CC1(C)CC[N@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000890075260 709735837 /nfs/dbraw/zinc/73/58/37/709735837.db2.gz FMVKJNBQJFTPEK-UHFFFAOYSA-N 1 1 307.350 1.762 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000890075260 709735841 /nfs/dbraw/zinc/73/58/41/709735841.db2.gz FMVKJNBQJFTPEK-UHFFFAOYSA-N 1 1 307.350 1.762 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928438154 713196014 /nfs/dbraw/zinc/19/60/14/713196014.db2.gz SQQVRENQUJVQMG-YPMHNXCESA-N 1 1 307.350 1.491 20 5 DDBDMO C[C@H]1C[N@H+](CCCOC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000893392358 710633715 /nfs/dbraw/zinc/63/37/15/710633715.db2.gz QUHPPNAJERUCQH-LBPRGKRZSA-N 1 1 308.334 1.862 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000893392358 710633717 /nfs/dbraw/zinc/63/37/17/710633717.db2.gz QUHPPNAJERUCQH-LBPRGKRZSA-N 1 1 308.334 1.862 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928559604 713226470 /nfs/dbraw/zinc/22/64/70/713226470.db2.gz ZYDDPLYNRUCVLR-GFCCVEGCSA-N 1 1 302.334 1.439 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000894591146 711199033 /nfs/dbraw/zinc/19/90/33/711199033.db2.gz KFDAMNSBHBZBET-UHFFFAOYSA-N 1 1 322.340 1.642 20 5 DDBDMO C[N@@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1CO ZINC000894881217 711306691 /nfs/dbraw/zinc/30/66/91/711306691.db2.gz LMBMWOMIJGWTAN-VIFPVBQESA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C[C@H]1CO ZINC000894881217 711306694 /nfs/dbraw/zinc/30/66/94/711306694.db2.gz LMBMWOMIJGWTAN-VIFPVBQESA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1CO ZINC000894884925 711308461 /nfs/dbraw/zinc/30/84/61/711308461.db2.gz LYMBOQPYBFKPHG-SNVBAGLBSA-N 1 1 308.363 1.317 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1CO ZINC000894884925 711308465 /nfs/dbraw/zinc/30/84/65/711308465.db2.gz LYMBOQPYBFKPHG-SNVBAGLBSA-N 1 1 308.363 1.317 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000894958197 711338919 /nfs/dbraw/zinc/33/89/19/711338919.db2.gz NMSJXUBIURPQKD-KBPBESRZSA-N 1 1 313.361 1.791 20 5 DDBDMO Cc1ccc(N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000894959560 711339949 /nfs/dbraw/zinc/33/99/49/711339949.db2.gz YJWPIGGDEFXOFS-UHFFFAOYSA-N 1 1 306.366 1.113 20 5 DDBDMO CC1=NO[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000895310989 711480680 /nfs/dbraw/zinc/48/06/80/711480680.db2.gz LHBKXANUUQYPBO-NSHDSACASA-N 1 1 307.306 1.620 20 5 DDBDMO CC1=NO[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000895310988 711480904 /nfs/dbraw/zinc/48/09/04/711480904.db2.gz LHBKXANUUQYPBO-LLVKDONJSA-N 1 1 307.306 1.620 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000895701616 711581691 /nfs/dbraw/zinc/58/16/91/711581691.db2.gz AYAUYZQTIRRUQW-OAHLLOKOSA-N 1 1 308.334 1.321 20 5 DDBDMO CCOC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895739040 711591775 /nfs/dbraw/zinc/59/17/75/711591775.db2.gz AMOJNYWTCWUWIP-ONGXEEELSA-N 1 1 308.338 1.671 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000896521583 711737624 /nfs/dbraw/zinc/73/76/24/711737624.db2.gz JZBBSBZQMRCDST-GFCCVEGCSA-N 1 1 323.397 1.556 20 5 DDBDMO CCO[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000905581900 712085847 /nfs/dbraw/zinc/08/58/47/712085847.db2.gz ZPCMKYYWNGWQMR-CABCVRRESA-N 1 1 311.382 1.185 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000908347225 712748143 /nfs/dbraw/zinc/74/81/43/712748143.db2.gz KRPHHXCWHVBQRK-GXTWGEPZSA-N 1 1 303.362 1.988 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC12CCCCC2 ZINC000908576436 712812493 /nfs/dbraw/zinc/81/24/93/712812493.db2.gz DFHFGUCAYJMCRP-UHFFFAOYSA-N 1 1 321.381 1.268 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000929411492 713604899 /nfs/dbraw/zinc/60/48/99/713604899.db2.gz JXVFFXMCIUJKHD-HNNXBMFYSA-N 1 1 320.393 1.996 20 5 DDBDMO O=[N+]([O-])CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000929478475 713621015 /nfs/dbraw/zinc/62/10/15/713621015.db2.gz AOMQCLYGXPYNBI-UHFFFAOYSA-N 1 1 303.322 1.588 20 5 DDBDMO COC(OC)[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922312166 714018183 /nfs/dbraw/zinc/01/81/83/714018183.db2.gz TYJGNWIENZDGCW-VIFPVBQESA-N 1 1 312.322 1.463 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)N2CCn3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000931523422 714118677 /nfs/dbraw/zinc/11/86/77/714118677.db2.gz SLRARXUAFHOHKH-NSHDSACASA-N 1 1 315.333 1.947 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931609184 714137578 /nfs/dbraw/zinc/13/75/78/714137578.db2.gz DDQFAIYHSHJTTG-NOZJJQNGSA-N 1 1 308.313 1.902 20 5 DDBDMO COC1(OC)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000931641420 714147690 /nfs/dbraw/zinc/14/76/90/714147690.db2.gz FALIPGCRDOTEOH-FZMZJTMJSA-N 1 1 310.350 1.712 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932638778 714372115 /nfs/dbraw/zinc/37/21/15/714372115.db2.gz KMHPREFYQPWBMJ-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932638778 714372117 /nfs/dbraw/zinc/37/21/17/714372117.db2.gz KMHPREFYQPWBMJ-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000933372683 714574929 /nfs/dbraw/zinc/57/49/29/714574929.db2.gz UPNUBXYBWPCHSM-DGCLKSJQSA-N 1 1 323.397 1.431 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260298 714778285 /nfs/dbraw/zinc/77/82/85/714778285.db2.gz WDBIAULKMYMJLT-HZPDHXFCSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934272227 714783271 /nfs/dbraw/zinc/78/32/71/714783271.db2.gz IISXQMYKXHFQDK-LSDHHAIUSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934275914 714784486 /nfs/dbraw/zinc/78/44/86/714784486.db2.gz RXEXAESRAXJRFJ-UONOGXRCSA-N 1 1 306.366 1.021 20 5 DDBDMO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589127 718843949 /nfs/dbraw/zinc/84/39/49/718843949.db2.gz HPXUCZFQKSESRN-QKPAOTATSA-N 1 1 321.421 1.788 20 5 DDBDMO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589127 718843954 /nfs/dbraw/zinc/84/39/54/718843954.db2.gz HPXUCZFQKSESRN-QKPAOTATSA-N 1 1 321.421 1.788 20 5 DDBDMO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589127 718843959 /nfs/dbraw/zinc/84/39/59/718843959.db2.gz HPXUCZFQKSESRN-QKPAOTATSA-N 1 1 321.421 1.788 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001120873811 782201373 /nfs/dbraw/zinc/20/13/73/782201373.db2.gz GYEXGHRHKQUKQF-MLGOLLRUSA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001120873811 782201382 /nfs/dbraw/zinc/20/13/82/782201382.db2.gz GYEXGHRHKQUKQF-MLGOLLRUSA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001120873811 782201392 /nfs/dbraw/zinc/20/13/92/782201392.db2.gz GYEXGHRHKQUKQF-MLGOLLRUSA-N 1 1 322.409 1.787 20 5 DDBDMO CCOC(=O)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC1CC1 ZINC001167261671 732875663 /nfs/dbraw/zinc/87/56/63/732875663.db2.gz GDPKBVZBGNFENF-UHFFFAOYSA-N 1 1 324.381 1.765 20 5 DDBDMO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063706 734368368 /nfs/dbraw/zinc/36/83/68/734368368.db2.gz IHEABKHUGWXSCV-QKPAOTATSA-N 1 1 317.389 1.705 20 5 DDBDMO C[N@@H+]1CCc2c(NCC3(O)CCOCC3)ccc([N+](=O)[O-])c2C1 ZINC001167555157 734708407 /nfs/dbraw/zinc/70/84/07/734708407.db2.gz CBRIAVQDMIBWJP-UHFFFAOYSA-N 1 1 321.377 1.536 20 5 DDBDMO C[N@H+]1CCc2c(NCC3(O)CCOCC3)ccc([N+](=O)[O-])c2C1 ZINC001167555157 734708410 /nfs/dbraw/zinc/70/84/10/734708410.db2.gz CBRIAVQDMIBWJP-UHFFFAOYSA-N 1 1 321.377 1.536 20 5 DDBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1NC(=N)NCCCC[NH3+] ZINC001167881085 739173762 /nfs/dbraw/zinc/17/37/62/739173762.db2.gz DDFNLHYCEDONJQ-UHFFFAOYSA-N 1 1 323.353 1.447 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105460015 741849344 /nfs/dbraw/zinc/84/93/44/741849344.db2.gz PLYVDDDLSNQTGP-UHFFFAOYSA-N 1 1 322.409 1.831 20 5 DDBDMO O=C(NCC[NH2+]CC/C=C\c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936869 742853888 /nfs/dbraw/zinc/85/38/88/742853888.db2.gz VGZSLUAHJPXVKA-JFCGUDLGSA-N 1 1 303.362 1.461 20 5 DDBDMO COc1cc(N2CC([NH2+]C3COC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001187724802 744597069 /nfs/dbraw/zinc/59/70/69/744597069.db2.gz QHJJWRTUYFEOJT-UHFFFAOYSA-N 1 1 313.741 1.434 20 5 DDBDMO CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000996430111 749588835 /nfs/dbraw/zinc/58/88/35/749588835.db2.gz ZYSNXHONDGUSBN-ZIAGYGMSSA-N 1 1 309.410 1.668 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107280111 749725916 /nfs/dbraw/zinc/72/59/16/749725916.db2.gz ICJXQZHILLYJHU-SNAWJCMRSA-N 1 1 321.381 1.416 20 5 DDBDMO CCNC(=O)CO[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039939 762193566 /nfs/dbraw/zinc/19/35/66/762193566.db2.gz WAXJDACLXJLFCZ-HZSPNIEDSA-N 1 1 313.398 1.049 20 5 DDBDMO Cc1nccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051992 762207108 /nfs/dbraw/zinc/20/71/08/762207108.db2.gz DYYQVNSAPAUZHP-MGPQQGTHSA-N 1 1 306.366 1.684 20 5 DDBDMO O=C(NCC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399027 762825497 /nfs/dbraw/zinc/82/54/97/762825497.db2.gz HQJXIRDXZZOLNK-GHMZBOCLSA-N 1 1 323.315 1.432 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC001100576526 776320160 /nfs/dbraw/zinc/32/01/60/776320160.db2.gz HGHNZSRWMTYUFW-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO CN(CCO)CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906306 776917116 /nfs/dbraw/zinc/91/71/16/776917116.db2.gz NXMNGBRYGRMOCH-MRXNPFEDSA-N 1 1 321.421 1.746 20 5 DDBDMO CC[NH+](CC)C1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC001116016335 780467423 /nfs/dbraw/zinc/46/74/23/780467423.db2.gz WPQDCOZYJMGJRC-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO Cc1c[nH]nc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267194670 837513149 /nfs/dbraw/zinc/51/31/49/837513149.db2.gz CKVIXOGSVSEJRZ-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO Cc1c[nH]nc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267194670 837513157 /nfs/dbraw/zinc/51/31/57/837513157.db2.gz CKVIXOGSVSEJRZ-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO CCC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269639689 841885413 /nfs/dbraw/zinc/88/54/13/841885413.db2.gz JZSRBDRVQRSSBF-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CCC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269639689 841885422 /nfs/dbraw/zinc/88/54/22/841885422.db2.gz JZSRBDRVQRSSBF-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CCC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269639689 841885432 /nfs/dbraw/zinc/88/54/32/841885432.db2.gz JZSRBDRVQRSSBF-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC001326489240 861403419 /nfs/dbraw/zinc/40/34/19/861403419.db2.gz PLPNIQUVRHFISD-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1cccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001122991316 859043509 /nfs/dbraw/zinc/04/35/09/859043509.db2.gz OSPRDMHDGHJEEO-UHFFFAOYSA-N 1 1 317.349 1.156 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001124109343 859583706 /nfs/dbraw/zinc/58/37/06/859583706.db2.gz MLWUUPLRAARESF-YNEHKIRRSA-N 1 1 318.377 1.707 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C(C)C)[C@@H](C)C2)n1 ZINC001158495049 864688403 /nfs/dbraw/zinc/68/84/03/864688403.db2.gz VLYNTGDRRGBMHN-JTQLQIEISA-N 1 1 309.370 1.621 20 5 DDBDMO CN1CC[NH+](CCCNc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001161708181 866920427 /nfs/dbraw/zinc/92/04/27/866920427.db2.gz AOVKAINIAOIBKX-UHFFFAOYSA-N 1 1 314.336 1.922 20 5 DDBDMO CN1CC[NH+](CCCNc2ccc3nc[nH]c3c2[N+](=O)[O-])CC1 ZINC001161709996 866923672 /nfs/dbraw/zinc/92/36/72/866923672.db2.gz MGADFZKEHPTZML-UHFFFAOYSA-N 1 1 318.381 1.521 20 5 DDBDMO COC(=O)c1cnc(N[C@]2(C)CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001162341844 867477433 /nfs/dbraw/zinc/47/74/33/867477433.db2.gz PGFAJDHGCMHYOP-CQSZACIVSA-N 1 1 308.338 1.673 20 5 DDBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c([N+](=O)[O-])cnn2C)C1 ZINC001334951696 867941661 /nfs/dbraw/zinc/94/16/61/867941661.db2.gz LITKOBKVEHJLNP-NSHDSACASA-N 1 1 304.354 1.521 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335116695 868077075 /nfs/dbraw/zinc/07/70/75/868077075.db2.gz JMWMXWUYEKKRKK-QWHCGFSZSA-N 1 1 309.341 1.769 20 5 DDBDMO CC[N@H+]1CCCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001163774676 868695022 /nfs/dbraw/zinc/69/50/22/868695022.db2.gz OYGVGZWWZVNVRT-UHFFFAOYSA-N 1 1 300.746 1.414 20 5 DDBDMO COc1c(O)ccc(CNC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001336716146 869107088 /nfs/dbraw/zinc/10/70/88/869107088.db2.gz DCLYOTDEKPCLSM-SNVBAGLBSA-N 1 1 309.366 1.881 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC001336716146 869107093 /nfs/dbraw/zinc/10/70/93/869107093.db2.gz DCLYOTDEKPCLSM-SNVBAGLBSA-N 1 1 309.366 1.881 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)s1 ZINC001336872010 869193403 /nfs/dbraw/zinc/19/34/03/869193403.db2.gz OSODKGIXZRCSCJ-GXFFZTMASA-N 1 1 313.379 1.294 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)s1 ZINC001336872010 869193408 /nfs/dbraw/zinc/19/34/08/869193408.db2.gz OSODKGIXZRCSCJ-GXFFZTMASA-N 1 1 313.379 1.294 20 5 DDBDMO CC(=O)c1c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085164 869791551 /nfs/dbraw/zinc/79/15/51/869791551.db2.gz VLQABJDAHZELAA-ABAIWWIYSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC001338085164 869791555 /nfs/dbraw/zinc/79/15/55/869791555.db2.gz VLQABJDAHZELAA-ABAIWWIYSA-N 1 1 320.393 1.844 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1 ZINC001338298309 869909696 /nfs/dbraw/zinc/90/96/96/869909696.db2.gz RXLRVYCVLBUEST-XJKSGUPXSA-N 1 1 321.377 1.541 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2c(OC)cc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226360225 882384000 /nfs/dbraw/zinc/38/40/00/882384000.db2.gz CGIZYUQCPBZPOL-NSHDSACASA-N 1 1 324.333 1.863 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)c([N+](=O)[O-])cn3)[C@H]1CC(=O)C2 ZINC001226917489 882720591 /nfs/dbraw/zinc/72/05/91/882720591.db2.gz KTSXKBJMMYWYJA-HNBZJPLGSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)c([N+](=O)[O-])cn3)[C@H]1CC(=O)C2 ZINC001226917489 882720599 /nfs/dbraw/zinc/72/05/99/882720599.db2.gz KTSXKBJMMYWYJA-HNBZJPLGSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1CC[C@@H](Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227448633 883025630 /nfs/dbraw/zinc/02/56/30/883025630.db2.gz HODLYXMZJYBFKL-CYBMUJFWSA-N 1 1 312.325 1.614 20 5 DDBDMO CCc1nc2c(c(O[C@@H](C[N+](=O)[O-])c3cccnc3)n1)C[NH2+]C2 ZINC001218296173 877449357 /nfs/dbraw/zinc/44/93/57/877449357.db2.gz KEIRVPZAMSKMRD-ZDUSSCGKSA-N 1 1 315.333 1.434 20 5 DDBDMO COCC[N@@H+](C)CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001355232402 878472777 /nfs/dbraw/zinc/47/27/77/878472777.db2.gz JIOWJPONJAPOBL-UHFFFAOYSA-N 1 1 322.340 1.694 20 5 DDBDMO C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584220 879114336 /nfs/dbraw/zinc/11/43/36/879114336.db2.gz NDXCLLYAJIYGRM-KGLIPLIRSA-N 1 1 323.393 1.266 20 5 DDBDMO CN1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584220 879114345 /nfs/dbraw/zinc/11/43/45/879114345.db2.gz NDXCLLYAJIYGRM-KGLIPLIRSA-N 1 1 323.393 1.266 20 5 DDBDMO C[N@@H+]1CCO[C@@H](COCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223487749 880982947 /nfs/dbraw/zinc/98/29/47/880982947.db2.gz JQKUYIVPBGUQLV-CYBMUJFWSA-N 1 1 311.294 1.350 20 5 DDBDMO C[N@H+]1CCO[C@@H](COCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223487749 880982956 /nfs/dbraw/zinc/98/29/56/880982956.db2.gz JQKUYIVPBGUQLV-CYBMUJFWSA-N 1 1 311.294 1.350 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@]12CC[N@@H+](C1)CCC2 ZINC001288003824 912658948 /nfs/dbraw/zinc/65/89/48/912658948.db2.gz FCZHTWBDEISFQF-OUOZUETKSA-N 1 1 301.346 1.963 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])c3nc[nH]c31)C2 ZINC001227692958 883136392 /nfs/dbraw/zinc/13/63/92/883136392.db2.gz HLHDHJXAVAEUKP-ILWJIGKKSA-N 1 1 303.322 1.870 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230900246 885029551 /nfs/dbraw/zinc/02/95/51/885029551.db2.gz FYBTYPYSOCGVKM-ZETCQYMHSA-N 1 1 303.282 1.234 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001234369289 887911221 /nfs/dbraw/zinc/91/12/21/887911221.db2.gz UOQWLZOABDRWMW-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO N[C@@]12C[C@@H]1CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246662023 892774374 /nfs/dbraw/zinc/77/43/74/892774374.db2.gz VDVFBMISEKRBKS-SUMWQHHRSA-N 1 1 316.405 1.987 20 5 DDBDMO N[C@@]12C[C@@H]1CC[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246662023 892774383 /nfs/dbraw/zinc/77/43/83/892774383.db2.gz VDVFBMISEKRBKS-SUMWQHHRSA-N 1 1 316.405 1.987 20 5 DDBDMO NC[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246908112 892982935 /nfs/dbraw/zinc/98/29/35/892982935.db2.gz LDPKDJWUIWZNSF-MRXNPFEDSA-N 1 1 304.394 1.987 20 5 DDBDMO [NH3+]C[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246908112 892982967 /nfs/dbraw/zinc/98/29/67/892982967.db2.gz LDPKDJWUIWZNSF-MRXNPFEDSA-N 1 1 304.394 1.987 20 5 DDBDMO [NH3+]Cc1ncn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254466595 896453338 /nfs/dbraw/zinc/45/33/38/896453338.db2.gz GUPCYTSCSOLIMJ-UHFFFAOYSA-N 1 1 302.338 1.487 20 5 DDBDMO C[C@]1(CO)C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1O ZINC001254593353 896522612 /nfs/dbraw/zinc/52/26/12/896522612.db2.gz LILUJHRMWPUFED-HRCADAONSA-N 1 1 306.362 1.127 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249002292 282126137 /nfs/dbraw/zinc/12/61/37/282126137.db2.gz YYGXMRRHQPYISJ-BZPMIXESSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000272850719 210247663 /nfs/dbraw/zinc/24/76/63/210247663.db2.gz HHWWLDMZFVOCRB-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO COC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452035168 231276838 /nfs/dbraw/zinc/27/68/38/231276838.db2.gz GDRVOODIDLLGDF-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551752 185302675 /nfs/dbraw/zinc/30/26/75/185302675.db2.gz NJHWJFBSJJFHIV-ZDUSSCGKSA-N 1 1 308.382 1.030 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000255417901 282256021 /nfs/dbraw/zinc/25/60/21/282256021.db2.gz NBTVRIHNBQAFBW-WBTMPAOCSA-N 1 1 301.346 1.915 20 5 DDBDMO C[N@@H+](CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000413350656 529884126 /nfs/dbraw/zinc/88/41/26/529884126.db2.gz XJMFMGCVUZROAX-UHFFFAOYSA-N 1 1 306.366 1.980 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000181862084 199364527 /nfs/dbraw/zinc/36/45/27/199364527.db2.gz PTSJNEOHNTWFTD-KBPBESRZSA-N 1 1 324.377 1.693 20 5 DDBDMO C[N@@H+](CCCCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279697329 215070154 /nfs/dbraw/zinc/07/01/54/215070154.db2.gz IFZAQRTVGZPJKT-UHFFFAOYSA-N 1 1 321.377 1.578 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000279755238 215118797 /nfs/dbraw/zinc/11/87/97/215118797.db2.gz LUQYLYLCXHMVLE-FZMZJTMJSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331383853 233252321 /nfs/dbraw/zinc/25/23/21/233252321.db2.gz HNQDVPPOZQNSPO-SNVBAGLBSA-N 1 1 307.354 1.373 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000152435256 186072708 /nfs/dbraw/zinc/07/27/08/186072708.db2.gz OBEUTALDTNONOQ-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000152494770 186078739 /nfs/dbraw/zinc/07/87/39/186078739.db2.gz RGPWYZMFGICDPI-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C ZINC000026452172 352209092 /nfs/dbraw/zinc/20/90/92/352209092.db2.gz GAGHHUOBKOXPLW-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1C ZINC000026452172 352209098 /nfs/dbraw/zinc/20/90/98/352209098.db2.gz GAGHHUOBKOXPLW-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000331736785 234063981 /nfs/dbraw/zinc/06/39/81/234063981.db2.gz VNCQDYDPAPGEDV-YYAKZPHOSA-N 1 1 301.346 1.818 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000331736785 234063983 /nfs/dbraw/zinc/06/39/83/234063983.db2.gz VNCQDYDPAPGEDV-YYAKZPHOSA-N 1 1 301.346 1.818 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000067837661 353070316 /nfs/dbraw/zinc/07/03/16/353070316.db2.gz SONSJJQFVUKQLN-JKSUJKDBSA-N 1 1 317.389 1.680 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072986872 191265901 /nfs/dbraw/zinc/26/59/01/191265901.db2.gz AVNOIIBWGRTLRJ-FZMZJTMJSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072986872 191265903 /nfs/dbraw/zinc/26/59/03/191265903.db2.gz AVNOIIBWGRTLRJ-FZMZJTMJSA-N 1 1 307.350 1.493 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CCn2cccn2)c([N+](=O)[O-])c1 ZINC000173726766 198244641 /nfs/dbraw/zinc/24/46/41/198244641.db2.gz ROOFEBBZTIEICC-UHFFFAOYSA-N 1 1 320.349 1.811 20 5 DDBDMO CN(CC(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173875387 198262758 /nfs/dbraw/zinc/26/27/58/198262758.db2.gz NOCVOCRZYDXWMD-UHFFFAOYSA-N 1 1 318.377 1.338 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000074095947 353290215 /nfs/dbraw/zinc/29/02/15/353290215.db2.gz NVCNMCVUKYQRGJ-UHFFFAOYSA-N 1 1 303.322 1.324 20 5 DDBDMO CN(C)c1nc(NCCOc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000077219383 353458058 /nfs/dbraw/zinc/45/80/58/353458058.db2.gz NURHTPNDJGYHOG-UHFFFAOYSA-N 1 1 303.322 1.942 20 5 DDBDMO COc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000114007395 353978708 /nfs/dbraw/zinc/97/87/08/353978708.db2.gz QXXYHGJJGSTCOW-AWEZNQCLSA-N 1 1 321.377 1.639 20 5 DDBDMO C[C@H]1CO[C@H](CO)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119253 354196472 /nfs/dbraw/zinc/19/64/72/354196472.db2.gz YKYWFEOVEGBPRU-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1CO[C@H](CO)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119253 354196474 /nfs/dbraw/zinc/19/64/74/354196474.db2.gz YKYWFEOVEGBPRU-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153916708 354201661 /nfs/dbraw/zinc/20/16/61/354201661.db2.gz HQDVEVTYBSZYHE-MRXNPFEDSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153916708 354201664 /nfs/dbraw/zinc/20/16/64/354201664.db2.gz HQDVEVTYBSZYHE-MRXNPFEDSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000156578904 354220434 /nfs/dbraw/zinc/22/04/34/354220434.db2.gz NRPGWWLZJMTLQR-CQSZACIVSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000156578904 354220438 /nfs/dbraw/zinc/22/04/38/354220438.db2.gz NRPGWWLZJMTLQR-CQSZACIVSA-N 1 1 307.350 1.544 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293056318 354453247 /nfs/dbraw/zinc/45/32/47/354453247.db2.gz IFHQJXOLRKTUPR-KBPBESRZSA-N 1 1 324.377 1.429 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2N1 ZINC000320069208 354524998 /nfs/dbraw/zinc/52/49/98/354524998.db2.gz KAMSHELKFOBSKW-RISCZKNCSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2N1 ZINC000320069208 354525000 /nfs/dbraw/zinc/52/50/00/354525000.db2.gz KAMSHELKFOBSKW-RISCZKNCSA-N 1 1 307.325 1.834 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589209266 354973940 /nfs/dbraw/zinc/97/39/40/354973940.db2.gz BLLWSSUWDRGVKZ-SNVBAGLBSA-N 1 1 321.333 1.063 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H](C)O)CC2)c1 ZINC000589496996 354995973 /nfs/dbraw/zinc/99/59/73/354995973.db2.gz AHCAGJKRQVUJSX-NSHDSACASA-N 1 1 322.361 1.974 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000589505437 354997607 /nfs/dbraw/zinc/99/76/07/354997607.db2.gz IHHOEQQDYYBZGI-HZMBPMFUSA-N 1 1 308.334 1.584 20 5 DDBDMO CN1C[C@@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011980 355040676 /nfs/dbraw/zinc/04/06/76/355040676.db2.gz NSJXUWKXIVKKHC-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@@H+]1C[C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011980 355040679 /nfs/dbraw/zinc/04/06/79/355040679.db2.gz NSJXUWKXIVKKHC-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011980 355040683 /nfs/dbraw/zinc/04/06/83/355040683.db2.gz NSJXUWKXIVKKHC-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590045781 355043257 /nfs/dbraw/zinc/04/32/57/355043257.db2.gz WDLCLIMWJLGGEL-DOMZBBRYSA-N 1 1 319.361 1.445 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000590141947 355053152 /nfs/dbraw/zinc/05/31/52/355053152.db2.gz VWQFUFAALZEUKO-HNNXBMFYSA-N 1 1 316.365 1.560 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000590970139 355226263 /nfs/dbraw/zinc/22/62/63/355226263.db2.gz FIFSYNUHPOIHCU-OAHLLOKOSA-N 1 1 310.350 1.183 20 5 DDBDMO CC(C)O[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055558 355781677 /nfs/dbraw/zinc/78/16/77/355781677.db2.gz LQBZPPXGOBDPGM-KGLIPLIRSA-N 1 1 312.370 1.042 20 5 DDBDMO CC[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593056739 355782550 /nfs/dbraw/zinc/78/25/50/355782550.db2.gz OLCVDUASFLFFDJ-AAEUAGOBSA-N 1 1 312.370 1.042 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593108005 355799916 /nfs/dbraw/zinc/79/99/16/355799916.db2.gz SRQCSIQKBUJKLE-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593108005 355799921 /nfs/dbraw/zinc/79/99/21/355799921.db2.gz SRQCSIQKBUJKLE-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000593187545 355819897 /nfs/dbraw/zinc/81/98/97/355819897.db2.gz LQYORTDHMSBWMH-XQQFMLRXSA-N 1 1 321.377 1.913 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463002 355893455 /nfs/dbraw/zinc/89/34/55/355893455.db2.gz JZVPSJWITSQPSW-ZDUSSCGKSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463002 355893459 /nfs/dbraw/zinc/89/34/59/355893459.db2.gz JZVPSJWITSQPSW-ZDUSSCGKSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463002 355893464 /nfs/dbraw/zinc/89/34/64/355893464.db2.gz JZVPSJWITSQPSW-ZDUSSCGKSA-N 1 1 315.377 1.801 20 5 DDBDMO CNc1c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000594360515 356182770 /nfs/dbraw/zinc/18/27/70/356182770.db2.gz KKQMVPCKZWXTJV-NWDGAFQWSA-N 1 1 318.377 1.945 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418449 356204302 /nfs/dbraw/zinc/20/43/02/356204302.db2.gz JBAFFCZSRDJNJH-MNOVXSKESA-N 1 1 307.354 1.373 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000595017605 356373111 /nfs/dbraw/zinc/37/31/11/356373111.db2.gz KSTURMJKVCDXLH-GXTWGEPZSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CN(C)CCN1C ZINC000595017605 356373114 /nfs/dbraw/zinc/37/31/14/356373114.db2.gz KSTURMJKVCDXLH-GXTWGEPZSA-N 1 1 322.409 1.500 20 5 DDBDMO Cc1noc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c1[N+](=O)[O-] ZINC000595505942 356523256 /nfs/dbraw/zinc/52/32/56/356523256.db2.gz XXGIVYIQBBLKLS-CYBMUJFWSA-N 1 1 322.365 1.628 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000236858135 202040984 /nfs/dbraw/zinc/04/09/84/202040984.db2.gz RNEAGYFOJUPRQK-SNVBAGLBSA-N 1 1 311.386 1.716 20 5 DDBDMO CCOc1cc(C[N@@H+](C)C[C@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595736584 356628267 /nfs/dbraw/zinc/62/82/67/356628267.db2.gz MSGBRJPSGQBOEQ-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595833835 356670626 /nfs/dbraw/zinc/67/06/26/356670626.db2.gz RZRUGRHRWBHWCM-JHJVBQTASA-N 1 1 319.361 1.890 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595826783 356665731 /nfs/dbraw/zinc/66/57/31/356665731.db2.gz IOEKLKUNKQGBAJ-GXTWGEPZSA-N 1 1 320.345 1.850 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000595871469 356686956 /nfs/dbraw/zinc/68/69/56/356686956.db2.gz OOEQDYFTQKZFIX-OAHLLOKOSA-N 1 1 308.382 1.664 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596074491 356762277 /nfs/dbraw/zinc/76/22/77/356762277.db2.gz AZGODRKAXQHARE-GXTWGEPZSA-N 1 1 304.350 1.732 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596076202 356763546 /nfs/dbraw/zinc/76/35/46/356763546.db2.gz MVNMVAAVWOYGEN-NSHDSACASA-N 1 1 306.366 1.980 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596432285 356879033 /nfs/dbraw/zinc/87/90/33/356879033.db2.gz RTUXGABZVDQRSF-MNOVXSKESA-N 1 1 324.381 1.190 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000596432285 356879040 /nfs/dbraw/zinc/87/90/40/356879040.db2.gz RTUXGABZVDQRSF-MNOVXSKESA-N 1 1 324.381 1.190 20 5 DDBDMO Cc1ccnc(N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267885 356838582 /nfs/dbraw/zinc/83/85/82/356838582.db2.gz BGJHODSUHJMVOL-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000596598129 356930535 /nfs/dbraw/zinc/93/05/35/356930535.db2.gz BWRTVRCDHUJKST-UHFFFAOYSA-N 1 1 318.381 1.609 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCN(c2[nH+]ccn2C)CC1 ZINC000597249943 357109410 /nfs/dbraw/zinc/10/94/10/357109410.db2.gz OMTGWPYKEPHOBJ-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209899 357094808 /nfs/dbraw/zinc/09/48/08/357094808.db2.gz FJOFLBIOCGYQFG-LRDDRELGSA-N 1 1 320.345 1.834 20 5 DDBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597858108 357361267 /nfs/dbraw/zinc/36/12/67/357361267.db2.gz JQDGAGBXAZMYSQ-LLVKDONJSA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597858108 357361272 /nfs/dbraw/zinc/36/12/72/357361272.db2.gz JQDGAGBXAZMYSQ-LLVKDONJSA-N 1 1 307.350 1.903 20 5 DDBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](CC)C1 ZINC000598040871 357438186 /nfs/dbraw/zinc/43/81/86/357438186.db2.gz IEBRLNFSCDHNGY-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000598220994 357497404 /nfs/dbraw/zinc/49/74/04/357497404.db2.gz SZSJEJXPOOVWLF-JTQLQIEISA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598220994 357497407 /nfs/dbraw/zinc/49/74/07/357497407.db2.gz SZSJEJXPOOVWLF-JTQLQIEISA-N 1 1 307.354 1.455 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000598220994 357497411 /nfs/dbraw/zinc/49/74/11/357497411.db2.gz SZSJEJXPOOVWLF-JTQLQIEISA-N 1 1 307.354 1.455 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC(CN3CC[NH+](C)CC3)C2)n1 ZINC000599109349 357818423 /nfs/dbraw/zinc/81/84/23/357818423.db2.gz UUSRDKPQNZXMCV-UHFFFAOYSA-N 1 1 319.409 1.290 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(C)COC1 ZINC000599571303 357979790 /nfs/dbraw/zinc/97/97/90/357979790.db2.gz BNLXOKWAEMDJKL-UHFFFAOYSA-N 1 1 308.334 1.930 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599694163 358029098 /nfs/dbraw/zinc/02/90/98/358029098.db2.gz DVTVBAUDVMXYLP-LBPRGKRZSA-N 1 1 308.338 1.091 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180531250 199172124 /nfs/dbraw/zinc/17/21/24/199172124.db2.gz WCYCXPHWKCXJRY-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000276627926 213009987 /nfs/dbraw/zinc/00/99/87/213009987.db2.gz VRYGDUKREGRVPS-VXGBXAGGSA-N 1 1 320.349 1.815 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180839725 199216668 /nfs/dbraw/zinc/21/66/68/199216668.db2.gz QKJOVRZAOWGIBF-SNVBAGLBSA-N 1 1 321.333 1.395 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601006289 358379141 /nfs/dbraw/zinc/37/91/41/358379141.db2.gz UNHAHNGHXWANRE-JTQLQIEISA-N 1 1 307.325 1.948 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000601142459 358418362 /nfs/dbraw/zinc/41/83/62/358418362.db2.gz RSQXNDFCECBZKB-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000601142459 358418364 /nfs/dbraw/zinc/41/83/64/358418364.db2.gz RSQXNDFCECBZKB-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000601150111 358422453 /nfs/dbraw/zinc/42/24/53/358422453.db2.gz WHPMIOILKLYEPC-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000601153500 358424163 /nfs/dbraw/zinc/42/41/63/358424163.db2.gz PKDHRIZRXRFWSB-CMPLNLGQSA-N 1 1 303.318 1.729 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974938 358760932 /nfs/dbraw/zinc/76/09/32/358760932.db2.gz UECNCOORUKSVSR-BETUJISGSA-N 1 1 319.361 1.810 20 5 DDBDMO O=C1[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601975501 358762010 /nfs/dbraw/zinc/76/20/10/358762010.db2.gz WJOAFGPUCVUYEV-ZOWXZIJZSA-N 1 1 317.345 1.278 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000602043664 358788989 /nfs/dbraw/zinc/78/89/89/358788989.db2.gz FXGUFTSJWSTJGA-AWEZNQCLSA-N 1 1 306.366 1.607 20 5 DDBDMO Cn1cc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000602442589 358979063 /nfs/dbraw/zinc/97/90/63/358979063.db2.gz ZNJCOQOJUNQXSC-CQSZACIVSA-N 1 1 323.397 1.015 20 5 DDBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602613974 359074565 /nfs/dbraw/zinc/07/45/65/359074565.db2.gz BZRUMSBBCKWTLS-HNNXBMFYSA-N 1 1 320.437 1.753 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000602773517 359180528 /nfs/dbraw/zinc/18/05/28/359180528.db2.gz QDPOLLZRQVJOQR-UHFFFAOYSA-N 1 1 323.397 1.290 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000602773517 359180532 /nfs/dbraw/zinc/18/05/32/359180532.db2.gz QDPOLLZRQVJOQR-UHFFFAOYSA-N 1 1 323.397 1.290 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000602782540 359187682 /nfs/dbraw/zinc/18/76/82/359187682.db2.gz CSJMQSHSYFHWGH-KBPBESRZSA-N 1 1 307.398 1.516 20 5 DDBDMO Cc1cnn([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)c1 ZINC000602836781 359227659 /nfs/dbraw/zinc/22/76/59/359227659.db2.gz ISGUJEIBPDHLCZ-ZDUSSCGKSA-N 1 1 304.354 1.552 20 5 DDBDMO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839130 359228842 /nfs/dbraw/zinc/22/88/42/359228842.db2.gz HIYUBLTVPDNQLB-KGLIPLIRSA-N 1 1 302.334 1.636 20 5 DDBDMO Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839130 359228846 /nfs/dbraw/zinc/22/88/46/359228846.db2.gz HIYUBLTVPDNQLB-KGLIPLIRSA-N 1 1 302.334 1.636 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000602851688 359239247 /nfs/dbraw/zinc/23/92/47/359239247.db2.gz CAFQMLHOOUUXRD-ZIAGYGMSSA-N 1 1 308.382 1.991 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC2(CCCC2)C1 ZINC000602820289 359214499 /nfs/dbraw/zinc/21/44/99/359214499.db2.gz RVUWFPDZNPPMFL-UHFFFAOYSA-N 1 1 308.382 1.992 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCc2ncnn21 ZINC000602823419 359217361 /nfs/dbraw/zinc/21/73/61/359217361.db2.gz KOQPCSHDTOTGLP-AWEZNQCLSA-N 1 1 301.350 1.848 20 5 DDBDMO Cn1cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602917644 359293809 /nfs/dbraw/zinc/29/38/09/359293809.db2.gz SVEZTOGQHJXZTJ-CYBMUJFWSA-N 1 1 324.381 1.082 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963069 359326881 /nfs/dbraw/zinc/32/68/81/359326881.db2.gz SUXQZCXHFSPJPB-HOCLYGCPSA-N 1 1 307.394 1.876 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000603941241 359706877 /nfs/dbraw/zinc/70/68/77/359706877.db2.gz BGOULKMXUAMCOX-UHFFFAOYSA-N 1 1 321.333 1.491 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188455503 200250053 /nfs/dbraw/zinc/25/00/53/200250053.db2.gz HKTYHIWUIFHJQR-IAQYHMDHSA-N 1 1 318.377 1.733 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000611092426 360621114 /nfs/dbraw/zinc/62/11/14/360621114.db2.gz UESDFZPNADHCDF-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000611091892 360621537 /nfs/dbraw/zinc/62/15/37/360621537.db2.gz BUTZGNGYRDEOGJ-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611148671 360638250 /nfs/dbraw/zinc/63/82/50/360638250.db2.gz RQSCMGDPGSUGAF-GFCCVEGCSA-N 1 1 316.361 1.829 20 5 DDBDMO C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201350 360657603 /nfs/dbraw/zinc/65/76/03/360657603.db2.gz UAPCPWTVCHOIQV-SWLSCSKDSA-N 1 1 318.377 1.162 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000192466578 200882571 /nfs/dbraw/zinc/88/25/71/200882571.db2.gz DQBOYRMSWXKMNS-BETUJISGSA-N 1 1 319.361 1.545 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000194608872 201262194 /nfs/dbraw/zinc/26/21/94/201262194.db2.gz HAXNPMKCYRVHAW-UHFFFAOYSA-N 1 1 308.338 1.391 20 5 DDBDMO Cc1cn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000619525395 364048022 /nfs/dbraw/zinc/04/80/22/364048022.db2.gz NSEGZLAVJQVBDZ-AWEZNQCLSA-N 1 1 304.350 1.593 20 5 DDBDMO COc1cc(NCC[N@@H+]2CCCOCC2)c(F)cc1[N+](=O)[O-] ZINC000275432084 212328431 /nfs/dbraw/zinc/32/84/31/212328431.db2.gz IZRHGDDGTSPSLV-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO COc1cc(NCC[N@H+]2CCCOCC2)c(F)cc1[N+](=O)[O-] ZINC000275432084 212328434 /nfs/dbraw/zinc/32/84/34/212328434.db2.gz IZRHGDDGTSPSLV-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359224454 299364182 /nfs/dbraw/zinc/36/41/82/299364182.db2.gz IKCVZFYGXOTTEJ-LBPRGKRZSA-N 1 1 304.350 1.631 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774434 284047833 /nfs/dbraw/zinc/04/78/33/284047833.db2.gz HXZPEWUNFFGMDS-SECBINFHSA-N 1 1 321.424 1.663 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000349876669 284090315 /nfs/dbraw/zinc/09/03/15/284090315.db2.gz RERGZJGAGNXRDF-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[NH+](C)CCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264899276 204250371 /nfs/dbraw/zinc/25/03/71/204250371.db2.gz LCDOWPJKXLREOA-UHFFFAOYSA-N 1 1 305.338 1.543 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274885982 212009747 /nfs/dbraw/zinc/00/97/47/212009747.db2.gz ORXOYJQCMHZSAQ-JTQLQIEISA-N 1 1 300.318 1.797 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274885982 212009749 /nfs/dbraw/zinc/00/97/49/212009749.db2.gz ORXOYJQCMHZSAQ-JTQLQIEISA-N 1 1 300.318 1.797 20 5 DDBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc[nH+]1 ZINC000351113187 284303249 /nfs/dbraw/zinc/30/32/49/284303249.db2.gz HWRJFGZVSCZAKI-UHFFFAOYSA-N 1 1 302.294 1.285 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266073821 205077070 /nfs/dbraw/zinc/07/70/70/205077070.db2.gz XMIBDSICGHPCCZ-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO COc1ccc(OCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351501993 284349056 /nfs/dbraw/zinc/34/90/56/284349056.db2.gz YQKLZXUMUABKEY-YUTCNCBUSA-N 1 1 321.377 1.651 20 5 DDBDMO CCOC(=O)COCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351536486 284365580 /nfs/dbraw/zinc/36/55/80/284365580.db2.gz GRLKCJXTPOYKFW-UHFFFAOYSA-N 1 1 308.334 1.533 20 5 DDBDMO CCOC(=O)COCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351536486 284365583 /nfs/dbraw/zinc/36/55/83/284365583.db2.gz GRLKCJXTPOYKFW-UHFFFAOYSA-N 1 1 308.334 1.533 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000026159850 248183226 /nfs/dbraw/zinc/18/32/26/248183226.db2.gz YJEFJSVPIXUBIH-UHFFFAOYSA-N 1 1 309.322 1.264 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795938 218180318 /nfs/dbraw/zinc/18/03/18/218180318.db2.gz OGZBJKJROSBOJF-HIFRSBDPSA-N 1 1 319.361 1.837 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000106396255 194206772 /nfs/dbraw/zinc/20/67/72/194206772.db2.gz XFQZXFYWQDMLGY-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000109628239 194278390 /nfs/dbraw/zinc/27/83/90/194278390.db2.gz CPRDEQXJKRMHTA-UHFFFAOYSA-N 1 1 323.397 1.875 20 5 DDBDMO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000340792996 251215218 /nfs/dbraw/zinc/21/52/18/251215218.db2.gz RSKKZYYRHIROAK-GXTWGEPZSA-N 1 1 312.366 1.426 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@H]1O ZINC000352661253 285205454 /nfs/dbraw/zinc/20/54/54/285205454.db2.gz RNRJCJHJGZXACX-QWHCGFSZSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[C@H]1O ZINC000352661253 285205459 /nfs/dbraw/zinc/20/54/59/285205459.db2.gz RNRJCJHJGZXACX-QWHCGFSZSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@H]1O ZINC000352660156 285204814 /nfs/dbraw/zinc/20/48/14/285204814.db2.gz MUFZGFYNYZMIQM-LSDHHAIUSA-N 1 1 319.361 1.329 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352662262 285206331 /nfs/dbraw/zinc/20/63/31/285206331.db2.gz XZCYHPJLRHQGIV-OCCSQVGLSA-N 1 1 323.349 1.387 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451578803 533416769 /nfs/dbraw/zinc/41/67/69/533416769.db2.gz XRDYSKLTIYLPEE-KCQAQPDRSA-N 1 1 324.377 1.691 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000068476291 406643061 /nfs/dbraw/zinc/64/30/61/406643061.db2.gz MTEDCFXTRIGYGB-OCCSQVGLSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000068476291 406643064 /nfs/dbraw/zinc/64/30/64/406643064.db2.gz MTEDCFXTRIGYGB-OCCSQVGLSA-N 1 1 324.377 1.834 20 5 DDBDMO CC(C)[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078681605 407041558 /nfs/dbraw/zinc/04/15/58/407041558.db2.gz XJBQJXJEEXBRSQ-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078681605 407041559 /nfs/dbraw/zinc/04/15/59/407041559.db2.gz XJBQJXJEEXBRSQ-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102332208 407321528 /nfs/dbraw/zinc/32/15/28/407321528.db2.gz VQGWXXKMWYQUGJ-GFCCVEGCSA-N 1 1 323.397 1.517 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000098104765 407306024 /nfs/dbraw/zinc/30/60/24/407306024.db2.gz SYARJVSSKLPADA-SNVBAGLBSA-N 1 1 309.370 1.241 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124109695 407348027 /nfs/dbraw/zinc/34/80/27/407348027.db2.gz NNRSDIUZLRWUQW-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124109695 407348029 /nfs/dbraw/zinc/34/80/29/407348029.db2.gz NNRSDIUZLRWUQW-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000124480983 407359425 /nfs/dbraw/zinc/35/94/25/407359425.db2.gz DBZZVXKEZWXKQB-ZFWWWQNUSA-N 1 1 310.350 1.181 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000108330944 407383808 /nfs/dbraw/zinc/38/38/08/407383808.db2.gz UECLASYXDNFCFX-CYBMUJFWSA-N 1 1 323.397 1.256 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271075377 407502810 /nfs/dbraw/zinc/50/28/10/407502810.db2.gz GQCPYZXXGJRMEK-SNVBAGLBSA-N 1 1 324.333 1.607 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271075377 407502814 /nfs/dbraw/zinc/50/28/14/407502814.db2.gz GQCPYZXXGJRMEK-SNVBAGLBSA-N 1 1 324.333 1.607 20 5 DDBDMO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261693764 407580206 /nfs/dbraw/zinc/58/02/06/407580206.db2.gz IUGYHNRMWCWOSX-DTWKUNHWSA-N 1 1 303.322 1.280 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000128548215 407548618 /nfs/dbraw/zinc/54/86/18/407548618.db2.gz CLDIVELLORBZQE-QWRGUYRKSA-N 1 1 323.397 1.487 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000117293624 407822136 /nfs/dbraw/zinc/82/21/36/407822136.db2.gz AAZIQNCRMSPTET-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000117293624 407822143 /nfs/dbraw/zinc/82/21/43/407822143.db2.gz AAZIQNCRMSPTET-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337973 407840270 /nfs/dbraw/zinc/84/02/70/407840270.db2.gz KQNNCLBQOFLXCO-XHDPSFHLSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000267337973 407840273 /nfs/dbraw/zinc/84/02/73/407840273.db2.gz KQNNCLBQOFLXCO-XHDPSFHLSA-N 1 1 307.350 1.687 20 5 DDBDMO CCCNC(=O)C[N@H+](CCC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153754004 407894159 /nfs/dbraw/zinc/89/41/59/407894159.db2.gz KSZVHCISYZIHQV-HNNXBMFYSA-N 1 1 323.393 1.866 20 5 DDBDMO CCCNC(=O)C[N@@H+](CCC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153754004 407894163 /nfs/dbraw/zinc/89/41/63/407894163.db2.gz KSZVHCISYZIHQV-HNNXBMFYSA-N 1 1 323.393 1.866 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135976 407906938 /nfs/dbraw/zinc/90/69/38/407906938.db2.gz CIGUGXFLKUAGKB-TVQRCGJNSA-N 1 1 304.350 1.390 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268245215 407968806 /nfs/dbraw/zinc/96/88/06/407968806.db2.gz VYBAKZSZCWKZTC-SKDRFNHKSA-N 1 1 321.381 1.483 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121206201 408164712 /nfs/dbraw/zinc/16/47/12/408164712.db2.gz LMOXTLVGWZTGPC-HZMBPMFUSA-N 1 1 306.366 1.710 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000150969524 408234608 /nfs/dbraw/zinc/23/46/08/408234608.db2.gz TVIXZFJGYRUCQB-MFKMUULPSA-N 1 1 320.349 1.252 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269475176 408322431 /nfs/dbraw/zinc/32/24/31/408322431.db2.gz VADLOVBIBFEREC-SNVBAGLBSA-N 1 1 311.386 1.901 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000246760637 408332238 /nfs/dbraw/zinc/33/22/38/408332238.db2.gz OVGNKEVTBYGJGD-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000246760637 408332242 /nfs/dbraw/zinc/33/22/42/408332242.db2.gz OVGNKEVTBYGJGD-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134133632 162072572 /nfs/dbraw/zinc/07/25/72/162072572.db2.gz MNVLZXJKYFCIFL-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246816987 408348088 /nfs/dbraw/zinc/34/80/88/408348088.db2.gz SIZUWVKBBFPGAA-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205983 408388418 /nfs/dbraw/zinc/38/84/18/408388418.db2.gz ROBLWIBQQIZFCS-WXHSDQCUSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205983 408388426 /nfs/dbraw/zinc/38/84/26/408388426.db2.gz ROBLWIBQQIZFCS-WXHSDQCUSA-N 1 1 308.338 1.065 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247318318 408448234 /nfs/dbraw/zinc/44/82/34/408448234.db2.gz MIJYZYZAUUQHTQ-KOLCDFICSA-N 1 1 309.370 1.095 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274667562 408489494 /nfs/dbraw/zinc/48/94/94/408489494.db2.gz RPJRIBKTIRXOBK-MRXNPFEDSA-N 1 1 322.361 1.873 20 5 DDBDMO CCOc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000269927945 408472757 /nfs/dbraw/zinc/47/27/57/408472757.db2.gz CCUNQGALRVCQPZ-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCS1 ZINC000248458030 408572098 /nfs/dbraw/zinc/57/20/98/408572098.db2.gz MRQHJUHRJATQIE-VXGBXAGGSA-N 1 1 312.391 1.772 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265202225 408577350 /nfs/dbraw/zinc/57/73/50/408577350.db2.gz REIWBFUYTHTKIP-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265202225 408577351 /nfs/dbraw/zinc/57/73/51/408577351.db2.gz REIWBFUYTHTKIP-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265202225 408577355 /nfs/dbraw/zinc/57/73/55/408577355.db2.gz REIWBFUYTHTKIP-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184269860 408580978 /nfs/dbraw/zinc/58/09/78/408580978.db2.gz VFVKJWINLGQFTK-UHFFFAOYSA-N 1 1 313.329 1.701 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000161326202 408586091 /nfs/dbraw/zinc/58/60/91/408586091.db2.gz YBWANSIEBUSDRG-UHFFFAOYSA-N 1 1 323.397 1.713 20 5 DDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1CC(C)(C)O ZINC000192543043 408609016 /nfs/dbraw/zinc/60/90/16/408609016.db2.gz UYPIGKHIUNQWTJ-VIFPVBQESA-N 1 1 300.384 1.333 20 5 DDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1CC(C)(C)O ZINC000192543043 408609020 /nfs/dbraw/zinc/60/90/20/408609020.db2.gz UYPIGKHIUNQWTJ-VIFPVBQESA-N 1 1 300.384 1.333 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192660940 408626878 /nfs/dbraw/zinc/62/68/78/408626878.db2.gz VDCMCLVLVQQJEK-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000270900179 408732929 /nfs/dbraw/zinc/73/29/29/408732929.db2.gz MKEAOHQIRUNWSD-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)C2CC2)cc1 ZINC000270915053 408740390 /nfs/dbraw/zinc/74/03/90/408740390.db2.gz QTHFYORETAJAAB-UHFFFAOYSA-N 1 1 305.378 1.891 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270840117 408703115 /nfs/dbraw/zinc/70/31/15/408703115.db2.gz DXEKGTVXRFHTLQ-OSAQELSMSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCOC1 ZINC000178350474 408810454 /nfs/dbraw/zinc/81/04/54/408810454.db2.gz KUARZKSILNRHRI-NSHDSACASA-N 1 1 308.334 1.930 20 5 DDBDMO NC(=O)NC(=O)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177999048 408754931 /nfs/dbraw/zinc/75/49/31/408754931.db2.gz WXGRLVOESCHOPZ-UHFFFAOYSA-N 1 1 320.349 1.534 20 5 DDBDMO C[C@H]1C[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000290863217 408846250 /nfs/dbraw/zinc/84/62/50/408846250.db2.gz YVJJQCLEYDRNKA-VHSXEESVSA-N 1 1 307.354 1.008 20 5 DDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCO ZINC000281818071 408934291 /nfs/dbraw/zinc/93/42/91/408934291.db2.gz LMZIBWXBVRSNJP-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCCO ZINC000281818071 408934293 /nfs/dbraw/zinc/93/42/93/408934293.db2.gz LMZIBWXBVRSNJP-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000277398569 408933829 /nfs/dbraw/zinc/93/38/29/408933829.db2.gz GSTKLRWIPYNXIM-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000277398569 408933835 /nfs/dbraw/zinc/93/38/35/408933835.db2.gz GSTKLRWIPYNXIM-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)CO ZINC000292046208 408969561 /nfs/dbraw/zinc/96/95/61/408969561.db2.gz AWBHLRGUMRGRBD-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)CO ZINC000292046208 408969563 /nfs/dbraw/zinc/96/95/63/408969563.db2.gz AWBHLRGUMRGRBD-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[C@H]1O ZINC000286390128 408975042 /nfs/dbraw/zinc/97/50/42/408975042.db2.gz GZAWORRXVKCKKC-ZIAGYGMSSA-N 1 1 308.334 1.807 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286410665 408980761 /nfs/dbraw/zinc/98/07/61/408980761.db2.gz ASKCDFXAJYSORA-LBPRGKRZSA-N 1 1 310.329 1.486 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282178777 409006259 /nfs/dbraw/zinc/00/62/59/409006259.db2.gz VPHUGUMMVZRXPQ-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000279281720 409184212 /nfs/dbraw/zinc/18/42/12/409184212.db2.gz WWTQROIHFVCQPC-CHWSQXEVSA-N 1 1 322.340 1.673 20 5 DDBDMO CC(C)[N@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000283815817 409221994 /nfs/dbraw/zinc/22/19/94/409221994.db2.gz YHWMJAHHJNMYFB-UHFFFAOYSA-N 1 1 300.330 1.953 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000283815817 409221997 /nfs/dbraw/zinc/22/19/97/409221997.db2.gz YHWMJAHHJNMYFB-UHFFFAOYSA-N 1 1 300.330 1.953 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294026129 409227771 /nfs/dbraw/zinc/22/77/71/409227771.db2.gz RACSTCVHHRLMNZ-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294026129 409227774 /nfs/dbraw/zinc/22/77/74/409227774.db2.gz RACSTCVHHRLMNZ-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000294751899 409299161 /nfs/dbraw/zinc/29/91/61/409299161.db2.gz WGFNAKCMSHEELS-IUODEOHRSA-N 1 1 321.377 1.430 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[N@@H+](C)C1 ZINC000284758699 409362182 /nfs/dbraw/zinc/36/21/82/409362182.db2.gz WEUUPWOQXBMZMB-KBPBESRZSA-N 1 1 321.377 1.694 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280497853 409330977 /nfs/dbraw/zinc/33/09/77/409330977.db2.gz BAQXHSBFIMSXJI-OAHLLOKOSA-N 1 1 307.350 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295154012 409347687 /nfs/dbraw/zinc/34/76/87/409347687.db2.gz MHKYSUWCFVEPEA-NSHDSACASA-N 1 1 309.366 1.933 20 5 DDBDMO CCCNC(=O)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285393971 409426227 /nfs/dbraw/zinc/42/62/27/409426227.db2.gz SRCLMZKKQSFTBT-UHFFFAOYSA-N 1 1 322.365 1.305 20 5 DDBDMO CCCNC(=O)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285393971 409426233 /nfs/dbraw/zinc/42/62/33/409426233.db2.gz SRCLMZKKQSFTBT-UHFFFAOYSA-N 1 1 322.365 1.305 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285417059 409438102 /nfs/dbraw/zinc/43/81/02/409438102.db2.gz VIVZJHOXUKJORL-SNVBAGLBSA-N 1 1 315.320 1.371 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471798 409658550 /nfs/dbraw/zinc/65/85/50/409658550.db2.gz LMBGWJCXWGIIQI-RISCZKNCSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471798 409658558 /nfs/dbraw/zinc/65/85/58/409658558.db2.gz LMBGWJCXWGIIQI-RISCZKNCSA-N 1 1 307.350 1.493 20 5 DDBDMO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342479650 409666679 /nfs/dbraw/zinc/66/66/79/409666679.db2.gz DYPLGCKOZQPGHF-FOSCPWQOSA-N 1 1 306.366 1.631 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000315647407 409847680 /nfs/dbraw/zinc/84/76/80/409847680.db2.gz BFWFXXXBZNLXKE-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CNc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000315647407 409847685 /nfs/dbraw/zinc/84/76/85/409847685.db2.gz BFWFXXXBZNLXKE-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000338428309 409982293 /nfs/dbraw/zinc/98/22/93/409982293.db2.gz XYLUGPQHBBTCBT-UHFFFAOYSA-N 1 1 305.338 1.541 20 5 DDBDMO CC(C)[N@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000338428309 409982297 /nfs/dbraw/zinc/98/22/97/409982297.db2.gz XYLUGPQHBBTCBT-UHFFFAOYSA-N 1 1 305.338 1.541 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000338428309 409982302 /nfs/dbraw/zinc/98/23/02/409982302.db2.gz XYLUGPQHBBTCBT-UHFFFAOYSA-N 1 1 305.338 1.541 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000332337273 410076267 /nfs/dbraw/zinc/07/62/67/410076267.db2.gz QEUZKAIFJDCZCX-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357513638 410078515 /nfs/dbraw/zinc/07/85/15/410078515.db2.gz NPRREUVXTCNYLQ-DTWKUNHWSA-N 1 1 305.338 1.126 20 5 DDBDMO Cc1c(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000339328074 410097909 /nfs/dbraw/zinc/09/79/09/410097909.db2.gz NSXBPFQOMKQSSA-SGMGOOAPSA-N 1 1 324.377 1.752 20 5 DDBDMO CC[N@@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343099241 410141401 /nfs/dbraw/zinc/14/14/01/410141401.db2.gz NEPTZVJWPLOCNE-UHFFFAOYSA-N 1 1 306.366 1.607 20 5 DDBDMO C[C@@H]1COCCN1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332587652 410187102 /nfs/dbraw/zinc/18/71/02/410187102.db2.gz IHNVKPZXXGFGCG-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@H]1COCCN1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332587652 410187104 /nfs/dbraw/zinc/18/71/04/410187104.db2.gz IHNVKPZXXGFGCG-CYBMUJFWSA-N 1 1 305.378 1.674 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C(C)C)C2)n1 ZINC000343224017 410250361 /nfs/dbraw/zinc/25/03/61/410250361.db2.gz IDWNFSHMZGGLDR-CYBMUJFWSA-N 1 1 322.365 1.553 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000357743460 410222774 /nfs/dbraw/zinc/22/27/74/410222774.db2.gz SSZOQCUUCGYANZ-UHFFFAOYSA-N 1 1 315.377 1.678 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](CC)CN1C(C)=O ZINC000357907365 410321557 /nfs/dbraw/zinc/32/15/57/410321557.db2.gz FEJWCSRNMBXCBN-KBPBESRZSA-N 1 1 323.397 1.513 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000298840250 410420880 /nfs/dbraw/zinc/42/08/80/410420880.db2.gz HKWJQPAIXSAQGC-PHIMTYICSA-N 1 1 324.381 1.541 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000298840250 410420884 /nfs/dbraw/zinc/42/08/84/410420884.db2.gz HKWJQPAIXSAQGC-PHIMTYICSA-N 1 1 324.381 1.541 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000355335628 410450875 /nfs/dbraw/zinc/45/08/75/410450875.db2.gz TYYMQOIXIOXHGC-ZDUSSCGKSA-N 1 1 307.398 1.492 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000355527582 410565872 /nfs/dbraw/zinc/56/58/72/410565872.db2.gz ZQQBZUGFKIWHTN-UHFFFAOYSA-N 1 1 304.350 1.680 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359045732 410545165 /nfs/dbraw/zinc/54/51/65/410545165.db2.gz WKTQNQXUGIQSDD-UHFFFAOYSA-N 1 1 317.292 1.878 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343802149 410713137 /nfs/dbraw/zinc/71/31/37/410713137.db2.gz SORXJRVKRHHPSW-SWLSCSKDSA-N 1 1 320.393 1.919 20 5 DDBDMO Cc1sc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000353043174 410757009 /nfs/dbraw/zinc/75/70/09/410757009.db2.gz JFGJKQKYLVYUIH-UHFFFAOYSA-N 1 1 319.408 1.339 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000347885062 410773874 /nfs/dbraw/zinc/77/38/74/410773874.db2.gz ZKLRCVGHKBUSOF-TXEJJXNPSA-N 1 1 318.381 2.312 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330628562 410839657 /nfs/dbraw/zinc/83/96/57/410839657.db2.gz LSAIBLVRRMKWLC-OLZOCXBDSA-N 1 1 305.378 1.997 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000356279249 410941268 /nfs/dbraw/zinc/94/12/68/410941268.db2.gz LJWPDHMAVAXMJQ-OAHLLOKOSA-N 1 1 319.365 1.130 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000331208543 411016698 /nfs/dbraw/zinc/01/66/98/411016698.db2.gz PVKWYRCXJZNDRV-LLVKDONJSA-N 1 1 309.370 1.225 20 5 DDBDMO Cc1nc(NC[C@@H](C(C)C)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296586889 226020644 /nfs/dbraw/zinc/02/06/44/226020644.db2.gz RODVWLSNXJOBLW-LBPRGKRZSA-N 1 1 309.370 1.462 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695825 226133331 /nfs/dbraw/zinc/13/33/31/226133331.db2.gz METGVWBEINTYQI-XJKSGUPXSA-N 1 1 324.377 1.693 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000290814717 221943556 /nfs/dbraw/zinc/94/35/56/221943556.db2.gz RQZRQIRZHWGZRH-ZYHUDNBSSA-N 1 1 321.381 1.255 20 5 DDBDMO CNc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360945987 418552308 /nfs/dbraw/zinc/55/23/08/418552308.db2.gz SUXNAGYZENRUNZ-GWCFXTLKSA-N 1 1 318.377 1.849 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375025226 418590246 /nfs/dbraw/zinc/59/02/46/418590246.db2.gz YNFVPYGAQJSDTH-DZGCQCFKSA-N 1 1 318.377 1.830 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000375316546 418628240 /nfs/dbraw/zinc/62/82/40/418628240.db2.gz DRSMKMMDGJHUDN-CYBMUJFWSA-N 1 1 303.322 1.512 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375311223 418628359 /nfs/dbraw/zinc/62/83/59/418628359.db2.gz VTVRYFFLLPZQHS-CQSZACIVSA-N 1 1 319.361 1.689 20 5 DDBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000361364975 418635250 /nfs/dbraw/zinc/63/52/50/418635250.db2.gz CSLDUOQXZSMXOY-OLZOCXBDSA-N 1 1 324.381 1.080 20 5 DDBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796407 418635885 /nfs/dbraw/zinc/63/58/85/418635885.db2.gz RIMFLMHQOWPCCW-YGRLFVJLSA-N 1 1 308.338 1.103 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](CCO)CC1 ZINC000367943790 418661716 /nfs/dbraw/zinc/66/17/16/418661716.db2.gz JARVTHOVAFIKDW-UHFFFAOYSA-N 1 1 307.350 1.302 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367984789 418668992 /nfs/dbraw/zinc/66/89/92/418668992.db2.gz YWLSZLINJMBRJP-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361569345 418680506 /nfs/dbraw/zinc/68/05/06/418680506.db2.gz YDMYTSPGMMIUQO-OAHLLOKOSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361569345 418680508 /nfs/dbraw/zinc/68/05/08/418680508.db2.gz YDMYTSPGMMIUQO-OAHLLOKOSA-N 1 1 320.349 1.039 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362052229 418744918 /nfs/dbraw/zinc/74/49/18/418744918.db2.gz DKEPZBCAXYRCFU-IJLUTSLNSA-N 1 1 307.350 1.482 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1CO ZINC000362067896 418747889 /nfs/dbraw/zinc/74/78/89/418747889.db2.gz RHVBBMQRZZTPEB-CMPLNLGQSA-N 1 1 318.333 1.705 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067307 418785071 /nfs/dbraw/zinc/78/50/71/418785071.db2.gz BNZRVIHDUNNBKK-VHSXEESVSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408067307 418785073 /nfs/dbraw/zinc/78/50/73/418785073.db2.gz BNZRVIHDUNNBKK-VHSXEESVSA-N 1 1 309.370 1.606 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365840935 418915148 /nfs/dbraw/zinc/91/51/48/418915148.db2.gz XBJOLLCGFALCMQ-BDJLRTHQSA-N 1 1 319.361 1.769 20 5 DDBDMO COC(=O)[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411910616 419469373 /nfs/dbraw/zinc/46/93/73/419469373.db2.gz SLBXIWUVPZYWHL-OCCSQVGLSA-N 1 1 321.377 1.692 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412023009 419568557 /nfs/dbraw/zinc/56/85/57/419568557.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412023009 419568564 /nfs/dbraw/zinc/56/85/64/419568564.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412023009 419568570 /nfs/dbraw/zinc/56/85/70/419568570.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412023009 419568577 /nfs/dbraw/zinc/56/85/77/419568577.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412023009 419568584 /nfs/dbraw/zinc/56/85/84/419568584.db2.gz BMFQKNTXCICOJY-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044267 419587096 /nfs/dbraw/zinc/58/70/96/419587096.db2.gz WOWDKWGVMPHBNU-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412044267 419587103 /nfs/dbraw/zinc/58/71/03/419587103.db2.gz WOWDKWGVMPHBNU-SDDRHHMPSA-N 1 1 307.350 1.625 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000427389768 419653285 /nfs/dbraw/zinc/65/32/85/419653285.db2.gz HDNWIFRADPAFRD-UHFFFAOYSA-N 1 1 305.338 2.397 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@H]2[C@H](C)CCN[C@H]2C)c([N+](=O)[O-])c1 ZINC000420364683 420239121 /nfs/dbraw/zinc/23/91/21/420239121.db2.gz KLBYWHVIRVIXEP-BFQNTYOBSA-N 1 1 323.393 1.958 20 5 DDBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424014632 420306795 /nfs/dbraw/zinc/30/67/95/420306795.db2.gz LUQRKTKIYNTXLS-UWVGGRQHSA-N 1 1 317.349 1.528 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000420590586 420325390 /nfs/dbraw/zinc/32/53/90/420325390.db2.gz VUFNGXOBNLBSIO-MNOVXSKESA-N 1 1 304.350 1.732 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1c(C(N)=O)cccc1[N+](=O)[O-])CC2 ZINC000420611918 420331071 /nfs/dbraw/zinc/33/10/71/420331071.db2.gz OCTJMDVKTRTKEZ-UHFFFAOYSA-N 1 1 318.377 1.758 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000492664093 420621830 /nfs/dbraw/zinc/62/18/30/420621830.db2.gz SYAJZLSPPHLKHE-CFHLNLSMSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000492664093 420621834 /nfs/dbraw/zinc/62/18/34/420621834.db2.gz SYAJZLSPPHLKHE-CFHLNLSMSA-N 1 1 319.361 1.133 20 5 DDBDMO COC(=O)[C@H](C1CC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488722515 421108004 /nfs/dbraw/zinc/10/80/04/421108004.db2.gz OQVRURUYZDJYPC-ZDUSSCGKSA-N 1 1 308.338 1.380 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000488753104 421111377 /nfs/dbraw/zinc/11/13/77/421111377.db2.gz QHDPAOIMYJIDDM-RYUDHWBXSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000456222376 421126225 /nfs/dbraw/zinc/12/62/25/421126225.db2.gz HLCBNTUVNFGJTE-BETUJISGSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1nc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450264340 421173176 /nfs/dbraw/zinc/17/31/76/421173176.db2.gz ZIUDDAKWGQZTIQ-LLVKDONJSA-N 1 1 321.381 1.383 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000456535990 421180581 /nfs/dbraw/zinc/18/05/81/421180581.db2.gz URLNYMVCOPQZKW-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000456535990 421180586 /nfs/dbraw/zinc/18/05/86/421180586.db2.gz URLNYMVCOPQZKW-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000524720013 421266843 /nfs/dbraw/zinc/26/68/43/421266843.db2.gz UQERUYDFQHVAER-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC000549156744 421495564 /nfs/dbraw/zinc/49/55/64/421495564.db2.gz LZNOFSXQFNCIJD-UHFFFAOYSA-N 1 1 309.370 1.702 20 5 DDBDMO Cc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000552836445 421596129 /nfs/dbraw/zinc/59/61/29/421596129.db2.gz CCWSGBVJIBSSDX-ZDUSSCGKSA-N 1 1 307.306 1.421 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000519643598 421712988 /nfs/dbraw/zinc/71/29/88/421712988.db2.gz WSUGYLISVYPOJL-CHWSQXEVSA-N 1 1 320.393 1.996 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000556724986 421728111 /nfs/dbraw/zinc/72/81/11/421728111.db2.gz ZGMBLVAOEIUGBU-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO Cn1c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000520150300 421738476 /nfs/dbraw/zinc/73/84/76/421738476.db2.gz ANJHESBCKFPOCD-UHFFFAOYSA-N 1 1 308.382 1.880 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000521718129 421797886 /nfs/dbraw/zinc/79/78/86/421797886.db2.gz AANLVGZJSPHFAU-UHFFFAOYSA-N 1 1 317.349 1.916 20 5 DDBDMO CCOc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000543479867 421838273 /nfs/dbraw/zinc/83/82/73/421838273.db2.gz FOMPBDGOGJSGCW-ZDUSSCGKSA-N 1 1 307.350 1.514 20 5 DDBDMO CCOc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000543479867 421838274 /nfs/dbraw/zinc/83/82/74/421838274.db2.gz FOMPBDGOGJSGCW-ZDUSSCGKSA-N 1 1 307.350 1.514 20 5 DDBDMO Cc1cc(CO)cc(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596063142 422361485 /nfs/dbraw/zinc/36/14/85/422361485.db2.gz YJRSXPWNBXWOJU-UHFFFAOYSA-N 1 1 302.334 2.315 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC1 ZINC000423193935 533686110 /nfs/dbraw/zinc/68/61/10/533686110.db2.gz RCQRFWBUISWOOY-DGCLKSJQSA-N 1 1 306.366 1.654 20 5 DDBDMO CC[NH+](CC)C[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341691090 271172046 /nfs/dbraw/zinc/17/20/46/271172046.db2.gz BBXOTGUADMPNNG-JTQLQIEISA-N 1 1 319.365 1.931 20 5 DDBDMO CC(C)[N@@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343511145 271788329 /nfs/dbraw/zinc/78/83/29/271788329.db2.gz NCZAJAZJKPNJRE-STQMWFEESA-N 1 1 312.366 1.426 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000346654073 272510622 /nfs/dbraw/zinc/51/06/22/272510622.db2.gz RFIDNXQITWUKML-GFCCVEGCSA-N 1 1 311.357 1.622 20 5 DDBDMO COC(=O)c1cnc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420643886 274008119 /nfs/dbraw/zinc/00/81/19/274008119.db2.gz XPYUJPGSWOFAHT-LLVKDONJSA-N 1 1 308.338 1.307 20 5 DDBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424014630 274299819 /nfs/dbraw/zinc/29/98/19/274299819.db2.gz LUQRKTKIYNTXLS-NXEZZACHSA-N 1 1 317.349 1.528 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000278667843 274344851 /nfs/dbraw/zinc/34/48/51/274344851.db2.gz FVNKGXLQSHWPBB-LLVKDONJSA-N 1 1 307.354 1.074 20 5 DDBDMO C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[N@H+]1CCO ZINC000490064920 274371612 /nfs/dbraw/zinc/37/16/12/274371612.db2.gz VHUPFYGVTHPDDS-LLVKDONJSA-N 1 1 317.349 1.041 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000320025602 275040134 /nfs/dbraw/zinc/04/01/34/275040134.db2.gz GNSFRGUAJRYJIG-CQSZACIVSA-N 1 1 316.361 1.951 20 5 DDBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000287222677 276201932 /nfs/dbraw/zinc/20/19/32/276201932.db2.gz ITYHSJKMISFBTO-AWEZNQCLSA-N 1 1 319.409 1.393 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000077902134 276300676 /nfs/dbraw/zinc/30/06/76/276300676.db2.gz FOKVXCYSDBZMEE-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272631092 277049663 /nfs/dbraw/zinc/04/96/63/277049663.db2.gz ZXGTYGRMEDRXJM-UHFFFAOYSA-N 1 1 321.362 1.377 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc([N+](=O)[O-])c1 ZINC000363125568 300215397 /nfs/dbraw/zinc/21/53/97/300215397.db2.gz RFBOOHWYROVARE-UKRRQHHQSA-N 1 1 319.361 1.496 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364325931 300376772 /nfs/dbraw/zinc/37/67/72/300376772.db2.gz SJTXKJWATKGJJN-ZDUSSCGKSA-N 1 1 321.381 1.439 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367994108 300929098 /nfs/dbraw/zinc/92/90/98/300929098.db2.gz POBLPBXNZIBATG-ITKZLYELSA-N 1 1 311.288 1.674 20 5 DDBDMO COc1cccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000368486704 301038802 /nfs/dbraw/zinc/03/88/02/301038802.db2.gz OVOOCYZDYUSQDC-NEPJUHHUSA-N 1 1 307.350 1.879 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370044617 301264825 /nfs/dbraw/zinc/26/48/25/301264825.db2.gz FQRNQKQOVVRJCI-FRRDWIJNSA-N 1 1 305.382 1.244 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000532134260 303276136 /nfs/dbraw/zinc/27/61/36/303276136.db2.gz VLVVJCLGMXDMNM-NEPJUHHUSA-N 1 1 306.366 1.840 20 5 DDBDMO COc1ccc(CC(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000556715279 303750746 /nfs/dbraw/zinc/75/07/46/303750746.db2.gz HTNPNBZWYVSYON-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO COc1cccc(N2CCC[N@@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000368713526 307108358 /nfs/dbraw/zinc/10/83/58/307108358.db2.gz WAUBUXFNUFMHMS-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279336 307205032 /nfs/dbraw/zinc/20/50/32/307205032.db2.gz VGJHKYJTWGZXBS-HLLBOEOZSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279336 307205033 /nfs/dbraw/zinc/20/50/33/307205033.db2.gz VGJHKYJTWGZXBS-HLLBOEOZSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279336 307205034 /nfs/dbraw/zinc/20/50/34/307205034.db2.gz VGJHKYJTWGZXBS-HLLBOEOZSA-N 1 1 317.389 1.680 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000575238285 308273861 /nfs/dbraw/zinc/27/38/61/308273861.db2.gz CQPNWUOVTPNQPL-UHFFFAOYSA-N 1 1 321.381 1.512 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000576610775 308327400 /nfs/dbraw/zinc/32/74/00/308327400.db2.gz PPCGYPSVCCBADJ-LLVKDONJSA-N 1 1 309.370 1.275 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncccn1 ZINC000584666082 337377842 /nfs/dbraw/zinc/37/78/42/337377842.db2.gz JGTXNGRNSOSIOI-LLVKDONJSA-N 1 1 315.333 1.892 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661223 533724318 /nfs/dbraw/zinc/72/43/18/533724318.db2.gz UGVKHEOYCLKJJL-SNVBAGLBSA-N 1 1 318.333 1.999 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661223 533724320 /nfs/dbraw/zinc/72/43/20/533724320.db2.gz UGVKHEOYCLKJJL-SNVBAGLBSA-N 1 1 318.333 1.999 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000414399103 533947458 /nfs/dbraw/zinc/94/74/58/533947458.db2.gz VBSFKXBNZPZTIG-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000414399103 533947453 /nfs/dbraw/zinc/94/74/53/533947453.db2.gz VBSFKXBNZPZTIG-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1nc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000296676121 534437730 /nfs/dbraw/zinc/43/77/30/534437730.db2.gz AQTJOMNSDGGQQZ-UHFFFAOYSA-N 1 1 309.370 1.240 20 5 DDBDMO Cc1nc(N(C)CC[N@H+]2CCOC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000296676121 534437732 /nfs/dbraw/zinc/43/77/32/534437732.db2.gz AQTJOMNSDGGQQZ-UHFFFAOYSA-N 1 1 309.370 1.240 20 5 DDBDMO COc1ncnc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000160431083 525084186 /nfs/dbraw/zinc/08/41/86/525084186.db2.gz FESBERDPCIUOGM-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1ncnc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000160431083 525084194 /nfs/dbraw/zinc/08/41/94/525084194.db2.gz FESBERDPCIUOGM-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119913307 696687578 /nfs/dbraw/zinc/68/75/78/696687578.db2.gz BSDKGSBZKKTTHN-UHFFFAOYSA-N 1 1 321.424 1.667 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748264942 700108568 /nfs/dbraw/zinc/10/85/68/700108568.db2.gz SSDPZIRPDHCXSK-YPMHNXCESA-N 1 1 315.333 1.255 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748264942 700108570 /nfs/dbraw/zinc/10/85/70/700108570.db2.gz SSDPZIRPDHCXSK-YPMHNXCESA-N 1 1 315.333 1.255 20 5 DDBDMO C[C@@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000172494543 697368318 /nfs/dbraw/zinc/36/83/18/697368318.db2.gz DBSJCIXCPMOKBA-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCCO1 ZINC000172494543 697368320 /nfs/dbraw/zinc/36/83/20/697368320.db2.gz DBSJCIXCPMOKBA-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000749964874 700195227 /nfs/dbraw/zinc/19/52/27/700195227.db2.gz RIJQUABPNXJQET-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582148 698121235 /nfs/dbraw/zinc/12/12/35/698121235.db2.gz RKFKOZGLDACWKR-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582148 698121236 /nfs/dbraw/zinc/12/12/36/698121236.db2.gz RKFKOZGLDACWKR-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776596657 698124722 /nfs/dbraw/zinc/12/47/22/698124722.db2.gz HJOGIWSAIQDWNO-HUUCEWRRSA-N 1 1 319.361 1.325 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000776879242 698145234 /nfs/dbraw/zinc/14/52/34/698145234.db2.gz SKVWYKBZUYXXPZ-KGLIPLIRSA-N 1 1 303.322 1.167 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786846006 699172755 /nfs/dbraw/zinc/17/27/55/699172755.db2.gz SIUALXVJNHTJGZ-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000789518344 699392480 /nfs/dbraw/zinc/39/24/80/699392480.db2.gz FQSXYDSVNYOCGP-LBPRGKRZSA-N 1 1 309.370 1.438 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000789518344 699392483 /nfs/dbraw/zinc/39/24/83/699392483.db2.gz FQSXYDSVNYOCGP-LBPRGKRZSA-N 1 1 309.370 1.438 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000792409829 699695771 /nfs/dbraw/zinc/69/57/71/699695771.db2.gz QRHZVSKVOJLVKB-CQSZACIVSA-N 1 1 310.350 1.102 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000801972489 700361399 /nfs/dbraw/zinc/36/13/99/700361399.db2.gz RLBXLUJGEKIFFF-UHFFFAOYSA-N 1 1 308.313 1.308 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000802140573 700372608 /nfs/dbraw/zinc/37/26/08/700372608.db2.gz KOQVTHRDOPPZEZ-LBPRGKRZSA-N 1 1 311.338 1.199 20 5 DDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000755208489 700556099 /nfs/dbraw/zinc/55/60/99/700556099.db2.gz XWKUGUKDHQKDKC-OAHLLOKOSA-N 1 1 315.329 1.787 20 5 DDBDMO Cc1nn(C[NH+]2CCC(C)(O)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000759751267 700769932 /nfs/dbraw/zinc/76/99/32/700769932.db2.gz ISKGCWOWJMHTIJ-UHFFFAOYSA-N 1 1 305.338 1.452 20 5 DDBDMO C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000760158141 700794192 /nfs/dbraw/zinc/79/41/92/700794192.db2.gz UOCVYJNVJPPZOF-NSHDSACASA-N 1 1 316.361 1.781 20 5 DDBDMO C[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000760158141 700794195 /nfs/dbraw/zinc/79/41/95/700794195.db2.gz UOCVYJNVJPPZOF-NSHDSACASA-N 1 1 316.361 1.781 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000761096187 700843270 /nfs/dbraw/zinc/84/32/70/700843270.db2.gz ZPAVYKYHYHAZJS-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000761096187 700843272 /nfs/dbraw/zinc/84/32/72/700843272.db2.gz ZPAVYKYHYHAZJS-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762720662 700904669 /nfs/dbraw/zinc/90/46/69/700904669.db2.gz YPCWMVQWVDHTRT-HMWXGYMHSA-N 1 1 319.361 1.181 20 5 DDBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000763880993 700951511 /nfs/dbraw/zinc/95/15/11/700951511.db2.gz KRTHVYCOCOKXLP-ZDUSSCGKSA-N 1 1 300.742 1.831 20 5 DDBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000763880993 700951513 /nfs/dbraw/zinc/95/15/13/700951513.db2.gz KRTHVYCOCOKXLP-ZDUSSCGKSA-N 1 1 300.742 1.831 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845676 701209311 /nfs/dbraw/zinc/20/93/11/701209311.db2.gz MWOLEGWUPHMAAY-VHSXEESVSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000768845676 701209312 /nfs/dbraw/zinc/20/93/12/701209312.db2.gz MWOLEGWUPHMAAY-VHSXEESVSA-N 1 1 322.321 1.668 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000879133814 706595960 /nfs/dbraw/zinc/59/59/60/706595960.db2.gz JGSYVNZEKIQZKM-PJODQICGSA-N 1 1 322.361 1.759 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839747727 701808635 /nfs/dbraw/zinc/80/86/35/701808635.db2.gz DNOMXMNIDZOPBW-RBSFLKMASA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747727 701808642 /nfs/dbraw/zinc/80/86/42/701808642.db2.gz DNOMXMNIDZOPBW-RBSFLKMASA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747727 701808647 /nfs/dbraw/zinc/80/86/47/701808647.db2.gz DNOMXMNIDZOPBW-RBSFLKMASA-N 1 1 303.362 1.290 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812323627 702149595 /nfs/dbraw/zinc/14/95/95/702149595.db2.gz JHGPNSZLBHJVMJ-OLZOCXBDSA-N 1 1 319.361 1.384 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000866209053 706649244 /nfs/dbraw/zinc/64/92/44/706649244.db2.gz PBMVOPDXBBHGPZ-CMPLNLGQSA-N 1 1 320.349 1.307 20 5 DDBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841024394 702314567 /nfs/dbraw/zinc/31/45/67/702314567.db2.gz SNAQHXUZKQFKST-LUYZLQTOSA-N 1 1 315.373 1.795 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C[N@H+]1CCO ZINC000842046642 702663547 /nfs/dbraw/zinc/66/35/47/702663547.db2.gz FTNOBBLOPYTYCA-ZJUUUORDSA-N 1 1 321.337 1.022 20 5 DDBDMO Nc1ccc2c(c1)OCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000866690460 706766157 /nfs/dbraw/zinc/76/61/57/706766157.db2.gz ZGYCJAOLZNCZCY-UHFFFAOYSA-N 1 1 303.322 1.268 20 5 DDBDMO Nc1ccc2c(c1)OCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000866690460 706766158 /nfs/dbraw/zinc/76/61/58/706766158.db2.gz ZGYCJAOLZNCZCY-UHFFFAOYSA-N 1 1 303.322 1.268 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1F ZINC000852313304 704007430 /nfs/dbraw/zinc/00/74/30/704007430.db2.gz GFOQTVRTBYHCGZ-LBPRGKRZSA-N 1 1 305.313 1.848 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000852314408 704008220 /nfs/dbraw/zinc/00/82/20/704008220.db2.gz SKLMQWZKHGTNQG-SWLSCSKDSA-N 1 1 317.349 1.242 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000852495722 704062299 /nfs/dbraw/zinc/06/22/99/704062299.db2.gz MTMYJOHZMGXXQE-YUELXQCFSA-N 1 1 319.361 1.229 20 5 DDBDMO CCc1nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)co1 ZINC000819353236 704111655 /nfs/dbraw/zinc/11/16/55/704111655.db2.gz AZBYNRBHPKWSRE-CYBMUJFWSA-N 1 1 321.333 1.675 20 5 DDBDMO CCO[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870873421 704152822 /nfs/dbraw/zinc/15/28/22/704152822.db2.gz CUDKDDWXHPKDOJ-GOEBONIOSA-N 1 1 321.377 1.796 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)[C@@H]2C1 ZINC000819719170 704164540 /nfs/dbraw/zinc/16/45/40/704164540.db2.gz NNXCATRZNTWKPL-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C2 ZINC000853565928 704271726 /nfs/dbraw/zinc/27/17/26/704271726.db2.gz KQZQQFKFJRNRFM-SWLSCSKDSA-N 1 1 302.334 1.870 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855163809 704471960 /nfs/dbraw/zinc/47/19/60/704471960.db2.gz GIXVDKDEPLLODO-LLVKDONJSA-N 1 1 306.366 1.780 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000823975090 705348549 /nfs/dbraw/zinc/34/85/49/705348549.db2.gz ZTUHSIBGFWBXCX-JTQLQIEISA-N 1 1 307.354 1.735 20 5 DDBDMO Nc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000823988320 705350269 /nfs/dbraw/zinc/35/02/69/705350269.db2.gz WADMPCAUOIVSOB-UHFFFAOYSA-N 1 1 305.338 1.489 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])n1 ZINC000876626864 705790376 /nfs/dbraw/zinc/79/03/76/705790376.db2.gz KRLJXMAGRFBONE-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000863506095 705945251 /nfs/dbraw/zinc/94/52/51/705945251.db2.gz XIEMTASGAXGOAJ-ZDUSSCGKSA-N 1 1 317.349 1.155 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc2ccccn21 ZINC000829010288 706272845 /nfs/dbraw/zinc/27/28/45/706272845.db2.gz QBGPNGLFNWEZIV-TXEJJXNPSA-N 1 1 317.349 1.518 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000865028919 706329206 /nfs/dbraw/zinc/32/92/06/706329206.db2.gz BOYHTSWSQLSNCB-UHFFFAOYSA-N 1 1 307.325 1.583 20 5 DDBDMO O=C1OCCN1CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865505368 706448212 /nfs/dbraw/zinc/44/82/12/706448212.db2.gz GCDZSWCOSINMPH-UHFFFAOYSA-N 1 1 316.317 1.819 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](CO)C1 ZINC000872605004 707508871 /nfs/dbraw/zinc/50/88/71/707508871.db2.gz BMLWGKUDGYNNPR-SNVBAGLBSA-N 1 1 308.363 1.317 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](CO)C1 ZINC000872605004 707508872 /nfs/dbraw/zinc/50/88/72/707508872.db2.gz BMLWGKUDGYNNPR-SNVBAGLBSA-N 1 1 308.363 1.317 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000832359085 706896969 /nfs/dbraw/zinc/89/69/69/706896969.db2.gz BTCDHDOMXOUJHS-SMDDNHRTSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000832359085 706896972 /nfs/dbraw/zinc/89/69/72/706896972.db2.gz BTCDHDOMXOUJHS-SMDDNHRTSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1ccc(C[N@H+](CC(N)=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000880397500 706963955 /nfs/dbraw/zinc/96/39/55/706963955.db2.gz OEMMUQZDMSJSTP-UHFFFAOYSA-N 1 1 307.350 1.370 20 5 DDBDMO Cc1ccc(C[N@@H+](CC(N)=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000880397500 706963957 /nfs/dbraw/zinc/96/39/57/706963957.db2.gz OEMMUQZDMSJSTP-UHFFFAOYSA-N 1 1 307.350 1.370 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832870302 706997087 /nfs/dbraw/zinc/99/70/87/706997087.db2.gz HJAFSZMXKGDSKJ-FZMZJTMJSA-N 1 1 309.366 1.473 20 5 DDBDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068875 707287177 /nfs/dbraw/zinc/28/71/77/707287177.db2.gz JTGXBXDQMPAAFO-VIFPVBQESA-N 1 1 316.354 1.962 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000872770856 707591822 /nfs/dbraw/zinc/59/18/22/707591822.db2.gz ASCFOBCKSSVNKI-GFCCVEGCSA-N 1 1 319.365 1.765 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000872770856 707591824 /nfs/dbraw/zinc/59/18/24/707591824.db2.gz ASCFOBCKSSVNKI-GFCCVEGCSA-N 1 1 319.365 1.765 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCN(C)CC1 ZINC000873008994 707692394 /nfs/dbraw/zinc/69/23/94/707692394.db2.gz FEDSVWFQEPWWKA-UHFFFAOYSA-N 1 1 320.437 1.939 20 5 DDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1F)CCOCCO ZINC000882950994 707867606 /nfs/dbraw/zinc/86/76/06/707867606.db2.gz JYQBZZWWSMNAFN-UHFFFAOYSA-N 1 1 301.318 1.087 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000886592998 708785726 /nfs/dbraw/zinc/78/57/26/708785726.db2.gz GMYOLXGHHNUJGO-LBPRGKRZSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000886592998 708785729 /nfs/dbraw/zinc/78/57/29/708785729.db2.gz GMYOLXGHHNUJGO-LBPRGKRZSA-N 1 1 320.393 1.979 20 5 DDBDMO O=C1C[C@@H]([N@@H+]2CC[C@@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303591 709012339 /nfs/dbraw/zinc/01/23/39/709012339.db2.gz XFUJJEKFCRKDRJ-GXFFZTMASA-N 1 1 321.308 1.518 20 5 DDBDMO O=C1C[C@@H]([N@H+]2CC[C@@H](CF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000887303591 709012341 /nfs/dbraw/zinc/01/23/41/709012341.db2.gz XFUJJEKFCRKDRJ-GXFFZTMASA-N 1 1 321.308 1.518 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900331139 709541961 /nfs/dbraw/zinc/54/19/61/709541961.db2.gz BUKMARVYYKJZJD-INIZCTEOSA-N 1 1 321.377 1.100 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889780165 709631267 /nfs/dbraw/zinc/63/12/67/709631267.db2.gz IPIMDYMXYREFAD-HUUCEWRRSA-N 1 1 319.361 1.266 20 5 DDBDMO C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328964 710011588 /nfs/dbraw/zinc/01/15/88/710011588.db2.gz JVNSWJRBOHIIPU-LRDDRELGSA-N 1 1 321.377 1.619 20 5 DDBDMO CC[N@@H+](CCNCc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000892792320 710500337 /nfs/dbraw/zinc/50/03/37/710500337.db2.gz LPCCEUHRAVBUDX-UHFFFAOYSA-N 1 1 309.366 1.883 20 5 DDBDMO CCN(CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000892792320 710500338 /nfs/dbraw/zinc/50/03/38/710500338.db2.gz LPCCEUHRAVBUDX-UHFFFAOYSA-N 1 1 309.366 1.883 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928430893 713192166 /nfs/dbraw/zinc/19/21/66/713192166.db2.gz JUQJTQLZXFDYKF-HPEDKQMDSA-N 1 1 303.362 1.907 20 5 DDBDMO C[C@H]1[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000928445238 713199450 /nfs/dbraw/zinc/19/94/50/713199450.db2.gz PQLCXAPPUCZAIA-SMDDNHRTSA-N 1 1 316.361 1.758 20 5 DDBDMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928452603 713203788 /nfs/dbraw/zinc/20/37/88/713203788.db2.gz NFAFISGKRFEFLQ-CMPLNLGQSA-N 1 1 307.350 1.816 20 5 DDBDMO COC(=O)Cc1ccc(N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000894996027 711357100 /nfs/dbraw/zinc/35/71/00/711357100.db2.gz IYASMIWNUOIOCP-LLVKDONJSA-N 1 1 316.317 1.544 20 5 DDBDMO Cc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581024 711758119 /nfs/dbraw/zinc/75/81/19/711758119.db2.gz FUJHYOMQCJFABI-GXTWGEPZSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1c(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000907695769 712615127 /nfs/dbraw/zinc/61/51/27/712615127.db2.gz PMMQYGUPWOKQPD-MRXNPFEDSA-N 1 1 321.377 1.366 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921336892 713738340 /nfs/dbraw/zinc/73/83/40/713738340.db2.gz ZLTQDTUEILAPKS-DGCLKSJQSA-N 1 1 306.366 1.968 20 5 DDBDMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930770386 713916211 /nfs/dbraw/zinc/91/62/11/713916211.db2.gz WOJZUFSSDSCPJA-KOLCDFICSA-N 1 1 308.338 1.818 20 5 DDBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000922167840 713981007 /nfs/dbraw/zinc/98/10/07/713981007.db2.gz GYRKRBHXFFHQOL-DGCLKSJQSA-N 1 1 306.366 1.795 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000931389431 714081905 /nfs/dbraw/zinc/08/19/05/714081905.db2.gz DEFFTWLKPHDWPM-BETUJISGSA-N 1 1 306.322 1.781 20 5 DDBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932710158 714394758 /nfs/dbraw/zinc/39/47/58/714394758.db2.gz LFXLZLXKEMBGPC-NEPJUHHUSA-N 1 1 301.387 1.746 20 5 DDBDMO CCO[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000932973825 714447265 /nfs/dbraw/zinc/44/72/65/714447265.db2.gz LQKSXHUSAMGPCD-GJZGRUSLSA-N 1 1 319.361 1.811 20 5 DDBDMO CCO[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000932973825 714447266 /nfs/dbraw/zinc/44/72/66/714447266.db2.gz LQKSXHUSAMGPCD-GJZGRUSLSA-N 1 1 319.361 1.811 20 5 DDBDMO COC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000933330005 714563768 /nfs/dbraw/zinc/56/37/68/714563768.db2.gz FJKNDDDLGBPOCW-CQSZACIVSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000933330005 714563771 /nfs/dbraw/zinc/56/37/71/714563771.db2.gz FJKNDDDLGBPOCW-CQSZACIVSA-N 1 1 323.349 1.271 20 5 DDBDMO Cc1c(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257979 714777837 /nfs/dbraw/zinc/77/78/37/714777837.db2.gz KSAIBTGNYBTRMG-IAGOWNOFSA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257979 714777838 /nfs/dbraw/zinc/77/78/38/714777838.db2.gz KSAIBTGNYBTRMG-IAGOWNOFSA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257979 714777840 /nfs/dbraw/zinc/77/78/40/714777840.db2.gz KSAIBTGNYBTRMG-IAGOWNOFSA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1cscc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125374875 732970464 /nfs/dbraw/zinc/97/04/64/732970464.db2.gz ATRMPYFUUHIILT-UHFFFAOYSA-N 1 1 323.378 1.218 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc2ncccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932040 742775311 /nfs/dbraw/zinc/77/53/11/742775311.db2.gz GBSHOUMIXFSSON-UKRRQHHQSA-N 1 1 314.345 1.106 20 5 DDBDMO Cc1nccnc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169051990 762206759 /nfs/dbraw/zinc/20/67/59/762206759.db2.gz DYYQVNSAPAUZHP-HZSPNIEDSA-N 1 1 306.366 1.684 20 5 DDBDMO Cc1nc(Cl)nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157261460 764729159 /nfs/dbraw/zinc/72/91/59/764729159.db2.gz RJNHITOONJUISB-NXEZZACHSA-N 1 1 311.773 1.877 20 5 DDBDMO Cc1nc(Cl)nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157261463 764729385 /nfs/dbraw/zinc/72/93/85/764729385.db2.gz RJNHITOONJUISB-ZJUUUORDSA-N 1 1 311.773 1.877 20 5 DDBDMO CCOC(=O)C1=C(Nc2nccc(OC)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001170513017 767720988 /nfs/dbraw/zinc/72/09/88/767720988.db2.gz DJZPNUCTUILYDZ-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001048812128 769929824 /nfs/dbraw/zinc/92/98/24/769929824.db2.gz BJVNCPQHKGEFDR-XJFOESAGSA-N 1 1 321.402 1.304 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001048812128 769929829 /nfs/dbraw/zinc/92/98/29/769929829.db2.gz BJVNCPQHKGEFDR-XJFOESAGSA-N 1 1 321.402 1.304 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001048812128 769929833 /nfs/dbraw/zinc/92/98/33/769929833.db2.gz BJVNCPQHKGEFDR-XJFOESAGSA-N 1 1 321.402 1.304 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093840359 775123971 /nfs/dbraw/zinc/12/39/71/775123971.db2.gz IZGKUVHUCZWHDU-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094434374 775858901 /nfs/dbraw/zinc/85/89/01/775858901.db2.gz FZENWLJDGOVHJU-UHFFFAOYSA-N 1 1 317.349 1.718 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCn3nncc3C1)CC2 ZINC001172920581 776930986 /nfs/dbraw/zinc/93/09/86/776930986.db2.gz KTLVYNWRQYGPTQ-CQSZACIVSA-N 1 1 313.361 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCn3nncc3C1)CC2 ZINC001172920581 776930989 /nfs/dbraw/zinc/93/09/89/776930989.db2.gz KTLVYNWRQYGPTQ-CQSZACIVSA-N 1 1 313.361 1.950 20 5 DDBDMO Cc1n[nH]cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175183102 777712659 /nfs/dbraw/zinc/71/26/59/777712659.db2.gz GMDPDELLTYBGCN-CYBMUJFWSA-N 1 1 320.349 1.498 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110193615 778067515 /nfs/dbraw/zinc/06/75/15/778067515.db2.gz PDUBSKQRPAJDBX-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110193742 778068039 /nfs/dbraw/zinc/06/80/39/778068039.db2.gz VHOHSGREYZUSQB-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CC=CC1 ZINC001117793747 780901412 /nfs/dbraw/zinc/90/14/12/780901412.db2.gz AFJXBDGYELPUTH-UHFFFAOYSA-N 1 1 317.345 1.546 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1=CCCCC1 ZINC001267314078 837810024 /nfs/dbraw/zinc/81/00/24/837810024.db2.gz HYVJKZQWAJVSLN-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001267314078 837810034 /nfs/dbraw/zinc/81/00/34/837810034.db2.gz HYVJKZQWAJVSLN-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001267314078 837810040 /nfs/dbraw/zinc/81/00/40/837810040.db2.gz HYVJKZQWAJVSLN-HUUCEWRRSA-N 1 1 309.410 1.980 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)CC1CCC1 ZINC001268519869 840362788 /nfs/dbraw/zinc/36/27/88/840362788.db2.gz GNNVKIDRVXLTDC-NSCUHMNNSA-N 1 1 321.381 1.281 20 5 DDBDMO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccn[nH]1 ZINC001269379265 841581789 /nfs/dbraw/zinc/58/17/89/841581789.db2.gz FUZHBRMYFFNNNL-UHFFFAOYSA-N 1 1 321.362 1.432 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001326482969 861401170 /nfs/dbraw/zinc/40/11/70/861401170.db2.gz RPNNPAOIBDOEBH-UGFHNGPFSA-N 1 1 321.377 1.427 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CCSC2=O)ncc1[N+](=O)[O-] ZINC001157179173 863636458 /nfs/dbraw/zinc/63/64/58/863636458.db2.gz NTPRNKULYOMYPY-GFAPAMAISA-N 1 1 308.363 1.966 20 5 DDBDMO CCOc1nc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157271749 863700746 /nfs/dbraw/zinc/70/07/46/863700746.db2.gz JEPFBZOOKHSRLO-WCQYABFASA-N 1 1 306.366 1.919 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157692233 864053849 /nfs/dbraw/zinc/05/38/49/864053849.db2.gz VDMQLDWDDMHYAV-TXEJJXNPSA-N 1 1 306.366 1.776 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159299960 865209124 /nfs/dbraw/zinc/20/91/24/865209124.db2.gz INCMLFGPFLWQJR-UHFFFAOYSA-N 1 1 302.294 1.172 20 5 DDBDMO COC(=O)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001321369801 867536124 /nfs/dbraw/zinc/53/61/24/867536124.db2.gz YGKGWRROWWMFJP-UHFFFAOYSA-N 1 1 323.349 1.748 20 5 DDBDMO COC(=O)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001321369801 867536138 /nfs/dbraw/zinc/53/61/38/867536138.db2.gz YGKGWRROWWMFJP-UHFFFAOYSA-N 1 1 323.349 1.748 20 5 DDBDMO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(=O)[nH]c1=O ZINC001474758392 867598565 /nfs/dbraw/zinc/59/85/65/867598565.db2.gz HZVAZVZTXSPBQF-UHFFFAOYSA-N 1 1 322.296 1.306 20 5 DDBDMO Nc1nc(NCC[C@@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC001162811774 867847240 /nfs/dbraw/zinc/84/72/40/867847240.db2.gz FJBGAYGEVAJDBT-QMMMGPOBSA-N 1 1 301.297 1.619 20 5 DDBDMO Cc1[nH+]ccn1CCNc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001163932763 868804331 /nfs/dbraw/zinc/80/43/31/868804331.db2.gz BZLJSOVYBBRBQJ-UHFFFAOYSA-N 1 1 302.338 1.984 20 5 DDBDMO C[C@@H]1CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@H]1O ZINC001164273812 869078883 /nfs/dbraw/zinc/07/88/83/869078883.db2.gz VWSXDUQBTGJWDW-VYBLIETJSA-N 1 1 306.366 1.729 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC001336743981 869120495 /nfs/dbraw/zinc/12/04/95/869120495.db2.gz CAQGNFOTLICCIS-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001337289148 869417947 /nfs/dbraw/zinc/41/79/47/869417947.db2.gz MJAGDDMYRLENJR-XFDYKOMQSA-N 1 1 306.362 1.721 20 5 DDBDMO COC(=O)c1cc(O[C@H]2CCC[N@@H+](C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440225 882433517 /nfs/dbraw/zinc/43/35/17/882433517.db2.gz TZBHQXRBAFDRKI-JTQLQIEISA-N 1 1 324.333 1.863 20 5 DDBDMO Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001317584413 871141672 /nfs/dbraw/zinc/14/16/72/871141672.db2.gz BJRJZVBBNBZWTH-TZMCWYRMSA-N 1 1 309.341 1.347 20 5 DDBDMO COCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001317585813 871146451 /nfs/dbraw/zinc/14/64/51/871146451.db2.gz WDXBQYVCXOWXKN-HUUCEWRRSA-N 1 1 321.377 1.046 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001308003185 871462360 /nfs/dbraw/zinc/46/23/60/871462360.db2.gz QBLXKRCTPWAZNO-CQSZACIVSA-N 1 1 318.333 1.126 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001308164981 871476526 /nfs/dbraw/zinc/47/65/26/871476526.db2.gz WWGLQOVHGPDMKT-CHWSQXEVSA-N 1 1 310.350 1.026 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318815851 872286640 /nfs/dbraw/zinc/28/66/40/872286640.db2.gz UEHBQLRXBUXWOK-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO NC(=O)COC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001319129380 872452616 /nfs/dbraw/zinc/45/26/16/872452616.db2.gz ZFCWPUZYCNNKRJ-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001348954250 874893786 /nfs/dbraw/zinc/89/37/86/874893786.db2.gz IMNVEJUEFSEOIL-OCCSQVGLSA-N 1 1 303.362 1.988 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227463219 883030754 /nfs/dbraw/zinc/03/07/54/883030754.db2.gz ONHPYUGMIXMPTP-DRCTWCGVSA-N 1 1 321.289 1.686 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227463219 883030777 /nfs/dbraw/zinc/03/07/77/883030777.db2.gz ONHPYUGMIXMPTP-DRCTWCGVSA-N 1 1 321.289 1.686 20 5 DDBDMO C[C@H](OCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001222542504 880549505 /nfs/dbraw/zinc/54/95/05/880549505.db2.gz GMDGLRFWLCILPN-LBPRGKRZSA-N 1 1 307.350 1.446 20 5 DDBDMO C[C@@H](C[NH+](C)C)Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001228659695 883600439 /nfs/dbraw/zinc/60/04/39/883600439.db2.gz BKQXPMUWLVGCAO-VIFPVBQESA-N 1 1 302.352 1.327 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc4n[nH]cc4cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230594495 884631278 /nfs/dbraw/zinc/63/12/78/884631278.db2.gz FZYSZPLWTIPDON-MRCXROJRSA-N 1 1 316.317 1.654 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3cc4n[nH]cc4cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230594495 884631283 /nfs/dbraw/zinc/63/12/83/884631283.db2.gz FZYSZPLWTIPDON-MRCXROJRSA-N 1 1 316.317 1.654 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361136 887904736 /nfs/dbraw/zinc/90/47/36/887904736.db2.gz ZJVOHBQQUTYRQP-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO O=C1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]2CCCN12 ZINC001254605311 896527060 /nfs/dbraw/zinc/52/70/60/896527060.db2.gz BDLKYZGGFSAPOD-JKSUJKDBSA-N 1 1 315.373 1.759 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001262059739 899923107 /nfs/dbraw/zinc/92/31/07/899923107.db2.gz IIHYGXMGMDFGIC-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CCN(C)[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001262059739 899923112 /nfs/dbraw/zinc/92/31/12/899923112.db2.gz IIHYGXMGMDFGIC-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001262059739 899923119 /nfs/dbraw/zinc/92/31/19/899923119.db2.gz IIHYGXMGMDFGIC-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001262059739 899923127 /nfs/dbraw/zinc/92/31/27/899923127.db2.gz IIHYGXMGMDFGIC-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000358072183 299067783 /nfs/dbraw/zinc/06/77/83/299067783.db2.gz CHCAAXSLZQOBHK-UHFFFAOYSA-N 1 1 318.337 1.028 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000278773011 214391135 /nfs/dbraw/zinc/39/11/35/214391135.db2.gz OPSCMGPOXAVDLG-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260993 529465311 /nfs/dbraw/zinc/46/53/11/529465311.db2.gz PYIDFOUHGSIRQS-QWRGUYRKSA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260993 529465315 /nfs/dbraw/zinc/46/53/15/529465315.db2.gz PYIDFOUHGSIRQS-QWRGUYRKSA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444260993 529465316 /nfs/dbraw/zinc/46/53/16/529465316.db2.gz PYIDFOUHGSIRQS-QWRGUYRKSA-N 1 1 323.397 1.825 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)n1 ZINC000452173050 231324210 /nfs/dbraw/zinc/32/42/10/231324210.db2.gz LVZPTVKMRNOAJE-NSHDSACASA-N 1 1 321.381 1.368 20 5 DDBDMO COC[C@@](C)(CCO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286587228 219067872 /nfs/dbraw/zinc/06/78/72/219067872.db2.gz WXSUTTDIMLHPLW-CYBMUJFWSA-N 1 1 304.293 1.750 20 5 DDBDMO Cc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301324761 282272451 /nfs/dbraw/zinc/27/24/51/282272451.db2.gz ACWCFPCQNVDJRL-RWMBFGLXSA-N 1 1 305.382 1.557 20 5 DDBDMO COC(=O)c1cc(C)nc(N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000286894637 219213952 /nfs/dbraw/zinc/21/39/52/219213952.db2.gz OUXOGQGFJQJCJW-UHFFFAOYSA-N 1 1 322.365 1.615 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272609436 210009515 /nfs/dbraw/zinc/00/95/15/210009515.db2.gz SDKVKSJVSJUMLD-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000048427494 352538836 /nfs/dbraw/zinc/53/88/36/352538836.db2.gz HCSDRVCTBXEEEL-UHFFFAOYSA-N 1 1 322.365 1.093 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000287096625 219310513 /nfs/dbraw/zinc/31/05/13/219310513.db2.gz YZSKYRPDTZJVRU-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000287096625 219310516 /nfs/dbraw/zinc/31/05/16/219310516.db2.gz YZSKYRPDTZJVRU-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000189934945 186251829 /nfs/dbraw/zinc/25/18/29/186251829.db2.gz USDGHNLPZYFILW-LLVKDONJSA-N 1 1 313.423 1.933 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000265988620 186350027 /nfs/dbraw/zinc/35/00/27/186350027.db2.gz MCRHJEZBCNONIT-NSHDSACASA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000041886315 352317181 /nfs/dbraw/zinc/31/71/81/352317181.db2.gz WXVBURMFQPYVBI-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000042286701 352333240 /nfs/dbraw/zinc/33/32/40/352333240.db2.gz WXFJIQWSDCGWCJ-NEPJUHHUSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000042286701 352333242 /nfs/dbraw/zinc/33/32/42/352333242.db2.gz WXFJIQWSDCGWCJ-NEPJUHHUSA-N 1 1 307.350 1.687 20 5 DDBDMO CCn1cnnc1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331875278 234221825 /nfs/dbraw/zinc/22/18/25/234221825.db2.gz FMLNYIZHMYPUEG-UHFFFAOYSA-N 1 1 319.369 1.319 20 5 DDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173405688 198211428 /nfs/dbraw/zinc/21/14/28/198211428.db2.gz HXIQFYPBYRRSOG-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173405688 198211430 /nfs/dbraw/zinc/21/14/30/198211430.db2.gz HXIQFYPBYRRSOG-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173390562 198209520 /nfs/dbraw/zinc/20/95/20/198209520.db2.gz NLXSAWLBIPJLLC-UONOGXRCSA-N 1 1 306.410 1.881 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800548 353131535 /nfs/dbraw/zinc/13/15/35/353131535.db2.gz NRYLHEISFBAXBQ-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3ccccc3C2)c1 ZINC000173712826 198243145 /nfs/dbraw/zinc/24/31/45/198243145.db2.gz YNZWNYLWNZFDAY-INIZCTEOSA-N 1 1 316.361 1.601 20 5 DDBDMO CC[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070714930 353181420 /nfs/dbraw/zinc/18/14/20/353181420.db2.gz FKJGXSAZSULMOD-UHFFFAOYSA-N 1 1 309.391 1.851 20 5 DDBDMO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000080127678 353592924 /nfs/dbraw/zinc/59/29/24/353592924.db2.gz UNFDVFSHWBCPIZ-ZDUSSCGKSA-N 1 1 320.393 1.489 20 5 DDBDMO Cc1ccc(N2CCC[N@@H+](CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080611820 353618266 /nfs/dbraw/zinc/61/82/66/353618266.db2.gz GZGOHDXOZDEQGH-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO Cc1ccc(N2CCC[N@H+](CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080611820 353618269 /nfs/dbraw/zinc/61/82/69/353618269.db2.gz GZGOHDXOZDEQGH-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000093342907 353896424 /nfs/dbraw/zinc/89/64/24/353896424.db2.gz ANSTWDJEZUYFLX-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000093342907 353896428 /nfs/dbraw/zinc/89/64/28/353896428.db2.gz ANSTWDJEZUYFLX-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000280788917 354423847 /nfs/dbraw/zinc/42/38/47/354423847.db2.gz QUZKNBNUZMGBNX-ZWNOBZJWSA-N 1 1 308.334 1.844 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293092925 354453911 /nfs/dbraw/zinc/45/39/11/354453911.db2.gz KMLIRUHSONPMPN-LLVKDONJSA-N 1 1 307.350 1.288 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000589514252 354998648 /nfs/dbraw/zinc/99/86/48/354998648.db2.gz OURBPKYJXGIJOT-ZDUSSCGKSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000589514252 354998652 /nfs/dbraw/zinc/99/86/52/354998652.db2.gz OURBPKYJXGIJOT-ZDUSSCGKSA-N 1 1 308.334 1.584 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589941445 355033966 /nfs/dbraw/zinc/03/39/66/355033966.db2.gz INYUWYGNPWEOTJ-ZANVPECISA-N 1 1 308.313 1.902 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590631901 355133642 /nfs/dbraw/zinc/13/36/42/355133642.db2.gz FFAQWNMULUELII-ZDUSSCGKSA-N 1 1 319.361 1.768 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590655896 355138520 /nfs/dbraw/zinc/13/85/20/355138520.db2.gz CRLUBNDLXSHCSK-TZMCWYRMSA-N 1 1 322.361 1.974 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC3(C1)CCOCC3)OCCO2 ZINC000590968985 355226323 /nfs/dbraw/zinc/22/63/23/355226323.db2.gz YAWSBQKDTIVNFN-UHFFFAOYSA-N 1 1 320.345 1.978 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000591505242 355322226 /nfs/dbraw/zinc/32/22/26/355322226.db2.gz TUHUIZSJGQFRAO-VXGBXAGGSA-N 1 1 322.361 1.832 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000075857190 191524501 /nfs/dbraw/zinc/52/45/01/191524501.db2.gz FILNCOYTTOXUQJ-UHFFFAOYSA-N 1 1 316.361 1.943 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000592196859 355532580 /nfs/dbraw/zinc/53/25/80/355532580.db2.gz ZBTSKBUMEQDYDC-OCCSQVGLSA-N 1 1 324.381 1.186 20 5 DDBDMO CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489676 355598543 /nfs/dbraw/zinc/59/85/43/355598543.db2.gz ZMKOUBPUZMGZFT-CHWSQXEVSA-N 1 1 320.393 1.983 20 5 DDBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4n(n3)CCC4)CC2)n1 ZINC000593027097 355773385 /nfs/dbraw/zinc/77/33/85/355773385.db2.gz MEZVALFBCIJZSY-UHFFFAOYSA-N 1 1 316.365 1.771 20 5 DDBDMO CC(C)O[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593055711 355781179 /nfs/dbraw/zinc/78/11/79/355781179.db2.gz NEUBJXSYZHWDBN-CQSZACIVSA-N 1 1 309.366 1.646 20 5 DDBDMO COCCOCC[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000593517421 355910670 /nfs/dbraw/zinc/91/06/70/355910670.db2.gz KHBJIGQEEXAQLM-UHFFFAOYSA-N 1 1 323.393 1.688 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595193280 356404302 /nfs/dbraw/zinc/40/43/02/356404302.db2.gz RUTDYVREINBROX-GFCCVEGCSA-N 1 1 320.349 1.134 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[N+](=O)[O-] ZINC000595309170 356443544 /nfs/dbraw/zinc/44/35/44/356443544.db2.gz QVVRCMDMCBHNRO-GFCCVEGCSA-N 1 1 324.381 1.875 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[N+](=O)[O-] ZINC000595309170 356443548 /nfs/dbraw/zinc/44/35/48/356443548.db2.gz QVVRCMDMCBHNRO-GFCCVEGCSA-N 1 1 324.381 1.875 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000081579878 192295461 /nfs/dbraw/zinc/29/54/61/192295461.db2.gz SWCXIPBGAUJXEB-LBPRGKRZSA-N 1 1 309.366 1.678 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595750354 356635302 /nfs/dbraw/zinc/63/53/02/356635302.db2.gz ATBZHXUCGTWYHE-UHFFFAOYSA-N 1 1 305.334 1.472 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595750354 356635304 /nfs/dbraw/zinc/63/53/04/356635304.db2.gz ATBZHXUCGTWYHE-UHFFFAOYSA-N 1 1 305.334 1.472 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595766301 356644361 /nfs/dbraw/zinc/64/43/61/356644361.db2.gz OFTDNABOBQIQBA-SMDDNHRTSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754984 356637696 /nfs/dbraw/zinc/63/76/96/356637696.db2.gz DOMQTFNESKNIKO-INWMFGNUSA-N 1 1 322.361 1.303 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595762100 356641735 /nfs/dbraw/zinc/64/17/35/356641735.db2.gz ZYDPHSWCRAVKSJ-LRDDRELGSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595762100 356641738 /nfs/dbraw/zinc/64/17/38/356641738.db2.gz ZYDPHSWCRAVKSJ-LRDDRELGSA-N 1 1 319.361 1.810 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596189723 356807121 /nfs/dbraw/zinc/80/71/21/356807121.db2.gz QGHLRECYVULPHF-HZMBPMFUSA-N 1 1 304.350 1.224 20 5 DDBDMO Cc1cc(CO)cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH+]1 ZINC000596213956 356817324 /nfs/dbraw/zinc/81/73/24/356817324.db2.gz LPGZRXAEPPYJAT-UHFFFAOYSA-N 1 1 317.349 1.829 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000596334535 356860201 /nfs/dbraw/zinc/86/02/01/356860201.db2.gz BIOMOBGIIRDYHU-SECBINFHSA-N 1 1 307.354 1.373 20 5 DDBDMO Cc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000597237410 357105578 /nfs/dbraw/zinc/10/55/78/357105578.db2.gz ZWZVAIHQTSAOTD-MRXNPFEDSA-N 1 1 319.405 1.934 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597223815 357100472 /nfs/dbraw/zinc/10/04/72/357100472.db2.gz UBBHKKQLORKJOJ-STQMWFEESA-N 1 1 320.345 1.988 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000597856856 357359770 /nfs/dbraw/zinc/35/97/70/357359770.db2.gz BJQOLYIXFJQOTR-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598606258 357651891 /nfs/dbraw/zinc/65/18/91/357651891.db2.gz GHHYTEZDDBWGTA-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598646908 357668590 /nfs/dbraw/zinc/66/85/90/357668590.db2.gz AVPAXNZJYHFJBK-GWCFXTLKSA-N 1 1 307.350 1.144 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647155 357669448 /nfs/dbraw/zinc/66/94/48/357669448.db2.gz CEBZUTZWMUNWBW-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647155 357669449 /nfs/dbraw/zinc/66/94/49/357669449.db2.gz CEBZUTZWMUNWBW-UPJWGTAASA-N 1 1 321.377 1.872 20 5 DDBDMO COC(=O)c1cc(NCC[N@H+]2CC[C@@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC000599176761 357840532 /nfs/dbraw/zinc/84/05/32/357840532.db2.gz WXFUCCUVFZSSPY-GFCCVEGCSA-N 1 1 323.349 1.168 20 5 DDBDMO COc1cc(NCC[N@@H+]2CC[C@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599198972 357847909 /nfs/dbraw/zinc/84/79/09/357847909.db2.gz DDYOGIJAIUPXRP-VIFPVBQESA-N 1 1 315.757 1.735 20 5 DDBDMO COc1cc(NCC[N@H+]2CC[C@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599198972 357847913 /nfs/dbraw/zinc/84/79/13/357847913.db2.gz DDYOGIJAIUPXRP-VIFPVBQESA-N 1 1 315.757 1.735 20 5 DDBDMO COC(=O)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000599442954 357938444 /nfs/dbraw/zinc/93/84/44/357938444.db2.gz FPMNHECXLXGUNH-UHFFFAOYSA-N 1 1 319.321 1.105 20 5 DDBDMO COC(=O)c1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)nc1 ZINC000599442954 357938447 /nfs/dbraw/zinc/93/84/47/357938447.db2.gz FPMNHECXLXGUNH-UHFFFAOYSA-N 1 1 319.321 1.105 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000599682029 358023086 /nfs/dbraw/zinc/02/30/86/358023086.db2.gz VNGFRGDIKQECKI-SGIREYDYSA-N 1 1 319.361 1.403 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600072131 358115545 /nfs/dbraw/zinc/11/55/45/358115545.db2.gz MPDCTRUMCUAWEZ-UHFFFAOYSA-N 1 1 324.356 1.511 20 5 DDBDMO O=C(NCC[NH+]1CCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601361918 358516425 /nfs/dbraw/zinc/51/64/25/358516425.db2.gz BNHPGQIMZQVUFD-UHFFFAOYSA-N 1 1 303.362 1.838 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601125507 358412228 /nfs/dbraw/zinc/41/22/28/358412228.db2.gz NOIFZAXJHDYEJY-SNVBAGLBSA-N 1 1 311.313 1.184 20 5 DDBDMO CN(CC(C)(CO)CO)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131047 358415098 /nfs/dbraw/zinc/41/50/98/358415098.db2.gz FLJQSIKQXGVXMI-UHFFFAOYSA-N 1 1 305.334 1.570 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184356 358437635 /nfs/dbraw/zinc/43/76/35/358437635.db2.gz KUEGKEPTPSACGT-ZJUUUORDSA-N 1 1 307.379 1.692 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602455890 358989254 /nfs/dbraw/zinc/98/92/54/358989254.db2.gz ZCBBORNLBMGDSI-NSHDSACASA-N 1 1 309.370 1.067 20 5 DDBDMO Cn1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c([N+](=O)[O-])n1 ZINC000602480301 359006200 /nfs/dbraw/zinc/00/62/00/359006200.db2.gz FURUIBDRGJSQLO-ZDUSSCGKSA-N 1 1 310.354 1.098 20 5 DDBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483275 359008960 /nfs/dbraw/zinc/00/89/60/359008960.db2.gz FZGWVILPTIHFJM-GFCCVEGCSA-N 1 1 324.381 1.884 20 5 DDBDMO C[C@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602732243 359153843 /nfs/dbraw/zinc/15/38/43/359153843.db2.gz REJMGFWBPMFZGH-GASCZTMLSA-N 1 1 303.318 1.079 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602837808 359227769 /nfs/dbraw/zinc/22/77/69/359227769.db2.gz AAEUEOCDPILXJZ-MWLCHTKSSA-N 1 1 322.287 1.345 20 5 DDBDMO CO[C@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839813 359228620 /nfs/dbraw/zinc/22/86/20/359228620.db2.gz LWLCLUUFYHDRQI-STQMWFEESA-N 1 1 308.382 1.989 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000602848521 359235480 /nfs/dbraw/zinc/23/54/80/359235480.db2.gz VXRNMFDHIXDHOK-GFCCVEGCSA-N 1 1 305.342 1.028 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000602796888 359198699 /nfs/dbraw/zinc/19/86/99/359198699.db2.gz ALCHBFJFLALGSF-ZIAGYGMSSA-N 1 1 308.382 1.848 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000602831138 359223482 /nfs/dbraw/zinc/22/34/82/359223482.db2.gz ZCKKLFJEWGBIME-IUODEOHRSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000602831138 359223485 /nfs/dbraw/zinc/22/34/85/359223485.db2.gz ZCKKLFJEWGBIME-IUODEOHRSA-N 1 1 324.381 1.370 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](n3ccnn3)CC2)n1 ZINC000602889805 359273678 /nfs/dbraw/zinc/27/36/78/359273678.db2.gz WAMAFVLVYFUWOO-GFCCVEGCSA-N 1 1 305.342 1.110 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997600 359346848 /nfs/dbraw/zinc/34/68/48/359346848.db2.gz NKDLRMNACFFHFG-MJBXVCDLSA-N 1 1 308.382 1.725 20 5 DDBDMO COc1cc([N+](=O)[O-])cn(CC[N@@H+](C)Cc2ccccc2)c1=O ZINC000603358347 359591310 /nfs/dbraw/zinc/59/13/10/359591310.db2.gz IDPUNHRXHZENAC-UHFFFAOYSA-N 1 1 317.345 1.897 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000604199320 359725335 /nfs/dbraw/zinc/72/53/35/359725335.db2.gz PRVKXRFVNBBYSD-GFCCVEGCSA-N 1 1 306.366 1.607 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188455529 200249940 /nfs/dbraw/zinc/24/99/40/200249940.db2.gz HKTYHIWUIFHJQR-ABAIWWIYSA-N 1 1 318.377 1.733 20 5 DDBDMO COc1cc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])cc1F ZINC000188501165 200256920 /nfs/dbraw/zinc/25/69/20/200256920.db2.gz GUCJUJFNMIHKPI-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609269240 360285217 /nfs/dbraw/zinc/28/52/17/360285217.db2.gz NMQARNAOPIDAIC-JTQLQIEISA-N 1 1 313.379 1.497 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609269240 360285220 /nfs/dbraw/zinc/28/52/20/360285220.db2.gz NMQARNAOPIDAIC-JTQLQIEISA-N 1 1 313.379 1.497 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](CCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610213578 360391978 /nfs/dbraw/zinc/39/19/78/360391978.db2.gz GGNFBFJRQBXDTC-ZDUSSCGKSA-N 1 1 321.377 1.652 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@H](CCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610213578 360391982 /nfs/dbraw/zinc/39/19/82/360391982.db2.gz GGNFBFJRQBXDTC-ZDUSSCGKSA-N 1 1 321.377 1.652 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000610409273 360429504 /nfs/dbraw/zinc/42/95/04/360429504.db2.gz FVPNIKMULIAKFE-NSHDSACASA-N 1 1 313.379 1.215 20 5 DDBDMO CC[N@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1C ZINC000611084807 360617638 /nfs/dbraw/zinc/61/76/38/360617638.db2.gz VLSWOQBVNRSCQN-SNVBAGLBSA-N 1 1 317.349 1.774 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611268419 360684543 /nfs/dbraw/zinc/68/45/43/360684543.db2.gz LNIPCCMFWJOJDE-HOTGVXAUSA-N 1 1 321.377 1.331 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000611211030 360661309 /nfs/dbraw/zinc/66/13/09/360661309.db2.gz HDJFWTHBGXEURE-LLVKDONJSA-N 1 1 307.354 1.122 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000611560961 360760202 /nfs/dbraw/zinc/76/02/02/360760202.db2.gz VLLQXUPYMMJTGS-ZDUSSCGKSA-N 1 1 304.350 1.778 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000293041668 223366863 /nfs/dbraw/zinc/36/68/63/223366863.db2.gz SIFLOJPBDFODPC-HNNXBMFYSA-N 1 1 317.349 1.516 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000293041668 223366865 /nfs/dbraw/zinc/36/68/65/223366865.db2.gz SIFLOJPBDFODPC-HNNXBMFYSA-N 1 1 317.349 1.516 20 5 DDBDMO Cc1c(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264599942 204019612 /nfs/dbraw/zinc/01/96/12/204019612.db2.gz BHGXGTJOXGTKNZ-GFCCVEGCSA-N 1 1 321.381 1.271 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000264749338 204124659 /nfs/dbraw/zinc/12/46/59/204124659.db2.gz AJKGJIQHFJJFTI-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000012141748 181732323 /nfs/dbraw/zinc/73/23/23/181732323.db2.gz KOMWRTZNOHOHHI-UHFFFAOYSA-N 1 1 313.379 1.277 20 5 DDBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C)CC1 ZINC000351500275 284347996 /nfs/dbraw/zinc/34/79/96/284347996.db2.gz RUIRJCVHVHEHLB-CQSZACIVSA-N 1 1 305.378 1.938 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(N)c([N+](=O)[O-])c1 ZINC000267365953 206014355 /nfs/dbraw/zinc/01/43/55/206014355.db2.gz XHZBLBNREQWVGU-CHWSQXEVSA-N 1 1 318.377 1.842 20 5 DDBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000267750396 206258896 /nfs/dbraw/zinc/25/88/96/206258896.db2.gz DLPCIWCGZTTYHS-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO COC(=O)c1cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)oc1C ZINC000174813430 248383552 /nfs/dbraw/zinc/38/35/52/248383552.db2.gz QFPFMRXTGBVWBV-UHFFFAOYSA-N 1 1 322.321 1.611 20 5 DDBDMO COC(=O)c1cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)oc1C ZINC000174813430 248383556 /nfs/dbraw/zinc/38/35/56/248383556.db2.gz QFPFMRXTGBVWBV-UHFFFAOYSA-N 1 1 322.321 1.611 20 5 DDBDMO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000105825725 194138960 /nfs/dbraw/zinc/13/89/60/194138960.db2.gz XGLYJJYLFLZQPJ-HIFRSBDPSA-N 1 1 307.394 1.872 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000109620157 194277565 /nfs/dbraw/zinc/27/75/65/194277565.db2.gz UPMFSWGECRFXRM-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000110695936 194350380 /nfs/dbraw/zinc/35/03/80/194350380.db2.gz UBRFXKAASZQNPM-QMMMGPOBSA-N 1 1 312.757 1.607 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000110695936 194350381 /nfs/dbraw/zinc/35/03/81/194350381.db2.gz UBRFXKAASZQNPM-QMMMGPOBSA-N 1 1 312.757 1.607 20 5 DDBDMO CNC(=O)c1ccc(NCCC[N@@H+](C)CCOC)c([N+](=O)[O-])c1 ZINC000064914172 184306133 /nfs/dbraw/zinc/30/61/33/184306133.db2.gz KLGHYJISMYUDTF-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO COCCNC(=O)C1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000459753134 532997290 /nfs/dbraw/zinc/99/72/90/532997290.db2.gz KIKVEUGBAZZIQW-UHFFFAOYSA-N 1 1 307.350 1.288 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288614041 220289842 /nfs/dbraw/zinc/28/98/42/220289842.db2.gz XHIYPXYBKWDFDG-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451869191 533137148 /nfs/dbraw/zinc/13/71/48/533137148.db2.gz NSRKDUPWCIYVLF-OCCSQVGLSA-N 1 1 319.361 1.799 20 5 DDBDMO CC[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156475922 197116464 /nfs/dbraw/zinc/11/64/64/197116464.db2.gz CEBWWFWTNGKCAO-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000156475922 197116465 /nfs/dbraw/zinc/11/64/65/197116465.db2.gz CEBWWFWTNGKCAO-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000352670846 285213392 /nfs/dbraw/zinc/21/33/92/285213392.db2.gz GXGNJBGSUSHJKV-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289474419 221001170 /nfs/dbraw/zinc/00/11/70/221001170.db2.gz DSZZHBZLVGCXEH-UHFFFAOYSA-N 1 1 321.786 1.229 20 5 DDBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccno2)cc1[N+](=O)[O-] ZINC000569363518 304351270 /nfs/dbraw/zinc/35/12/70/304351270.db2.gz BKMIDMUFWPNPRR-UHFFFAOYSA-N 1 1 321.289 1.424 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054987138 407192114 /nfs/dbraw/zinc/19/21/14/407192114.db2.gz IPACYHGRJIEKNL-HNNXBMFYSA-N 1 1 303.362 1.880 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108335413 407384343 /nfs/dbraw/zinc/38/43/43/407384343.db2.gz DXAOHONTHQNMBJ-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000112407197 407429065 /nfs/dbraw/zinc/42/90/65/407429065.db2.gz VFZAULCLPHKTRT-UHFFFAOYSA-N 1 1 309.366 1.238 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000266624927 407582304 /nfs/dbraw/zinc/58/23/04/407582304.db2.gz HAULTVOPEKZBFP-TZMCWYRMSA-N 1 1 305.338 1.317 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCOC1 ZINC000178758345 407586814 /nfs/dbraw/zinc/58/68/14/407586814.db2.gz DOSLYBLMUIBPIB-GFCCVEGCSA-N 1 1 319.361 1.452 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000114062606 407534899 /nfs/dbraw/zinc/53/48/99/407534899.db2.gz SOLKBCFSRANGBQ-MNOVXSKESA-N 1 1 323.349 1.663 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000115435574 407681997 /nfs/dbraw/zinc/68/19/97/407681997.db2.gz PPDZJVOHHBJMFH-LBPRGKRZSA-N 1 1 323.397 1.327 20 5 DDBDMO CCC[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000152621785 407662208 /nfs/dbraw/zinc/66/22/08/407662208.db2.gz JGIGVUSUADGCCS-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000152621785 407662215 /nfs/dbraw/zinc/66/22/15/407662215.db2.gz JGIGVUSUADGCCS-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000171804067 407770006 /nfs/dbraw/zinc/77/00/06/407770006.db2.gz FOJNVNBWKUVECF-SECBINFHSA-N 1 1 320.353 1.451 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1C1CC1 ZINC000133592416 407862598 /nfs/dbraw/zinc/86/25/98/407862598.db2.gz BIXNSZRZIVMUNB-RKDXNWHRSA-N 1 1 306.322 1.050 20 5 DDBDMO Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000153659295 407870436 /nfs/dbraw/zinc/87/04/36/407870436.db2.gz XOXYRYKYLLQBGX-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000153659295 407870442 /nfs/dbraw/zinc/87/04/42/407870442.db2.gz XOXYRYKYLLQBGX-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1c(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796960 407873698 /nfs/dbraw/zinc/87/36/98/407873698.db2.gz ZJVYPMFOOOKJHT-IUODEOHRSA-N 1 1 321.377 1.281 20 5 DDBDMO Cc1c(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796960 407873703 /nfs/dbraw/zinc/87/37/03/407873703.db2.gz ZJVYPMFOOOKJHT-IUODEOHRSA-N 1 1 321.377 1.281 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000173612018 407892092 /nfs/dbraw/zinc/89/20/92/407892092.db2.gz CJXWMULNIDMJFY-AWEZNQCLSA-N 1 1 307.350 1.871 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000173612018 407892098 /nfs/dbraw/zinc/89/20/98/407892098.db2.gz CJXWMULNIDMJFY-AWEZNQCLSA-N 1 1 307.350 1.871 20 5 DDBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000118107022 407892508 /nfs/dbraw/zinc/89/25/08/407892508.db2.gz BQQCOTGYCCIVPF-LBPRGKRZSA-N 1 1 320.349 1.052 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000173715065 407895148 /nfs/dbraw/zinc/89/51/48/407895148.db2.gz KNMYGBMURUTIJY-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000174518122 407956157 /nfs/dbraw/zinc/95/61/57/407956157.db2.gz LOYUCVCHVFAGQJ-GFCCVEGCSA-N 1 1 306.366 1.712 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154089330 407968622 /nfs/dbraw/zinc/96/86/22/407968622.db2.gz PMDWWHDUJLPHIJ-OAHLLOKOSA-N 1 1 321.377 1.772 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000272451585 407925501 /nfs/dbraw/zinc/92/55/01/407925501.db2.gz NPPYYGUIWXXNMR-NEPJUHHUSA-N 1 1 304.350 1.534 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000174870776 407996981 /nfs/dbraw/zinc/99/69/81/407996981.db2.gz NDVMUNRVMVSVKU-UHFFFAOYSA-N 1 1 307.398 1.742 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155144446 408130490 /nfs/dbraw/zinc/13/04/90/408130490.db2.gz JYARAQKLTALJQB-PHIMTYICSA-N 1 1 309.341 1.827 20 5 DDBDMO C[C@H]1C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000273317009 408150535 /nfs/dbraw/zinc/15/05/35/408150535.db2.gz JPNBVBLOKNNHTG-RYUDHWBXSA-N 1 1 312.391 1.956 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000175834765 408218123 /nfs/dbraw/zinc/21/81/23/408218123.db2.gz QPSMXRCQJXKQCU-UHFFFAOYSA-N 1 1 319.321 1.411 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000246799069 408340450 /nfs/dbraw/zinc/34/04/50/408340450.db2.gz REURMGBCFKZUCO-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000246799069 408340454 /nfs/dbraw/zinc/34/04/54/408340454.db2.gz REURMGBCFKZUCO-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000134733315 162085642 /nfs/dbraw/zinc/08/56/42/162085642.db2.gz OGUKWXBWHYYDBV-CYBMUJFWSA-N 1 1 307.398 1.740 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173953198 162380596 /nfs/dbraw/zinc/38/05/96/162380596.db2.gz IZLJKNFXBJRSFE-AWEZNQCLSA-N 1 1 321.377 1.510 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173953198 162380603 /nfs/dbraw/zinc/38/06/03/162380603.db2.gz IZLJKNFXBJRSFE-AWEZNQCLSA-N 1 1 321.377 1.510 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000269727841 408406744 /nfs/dbraw/zinc/40/67/44/408406744.db2.gz RMTDWKHSJAXCTE-UHFFFAOYSA-N 1 1 321.377 1.236 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000160412358 408480708 /nfs/dbraw/zinc/48/07/08/408480708.db2.gz TZFWIXZZRBKJAF-LLVKDONJSA-N 1 1 309.370 1.323 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000177022545 408499269 /nfs/dbraw/zinc/49/92/69/408499269.db2.gz HKNNZNIFEJLEQE-LLVKDONJSA-N 1 1 309.370 1.193 20 5 DDBDMO C[C@H](c1ccncc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551589 408575414 /nfs/dbraw/zinc/57/54/14/408575414.db2.gz BLHSPPCOVNJLTH-BXUZGUMPSA-N 1 1 305.338 1.240 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000161273795 408580577 /nfs/dbraw/zinc/58/05/77/408580577.db2.gz GFTGUXUIHIDTMX-AAEUAGOBSA-N 1 1 309.370 1.026 20 5 DDBDMO CC(C)[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270469871 408542453 /nfs/dbraw/zinc/54/24/53/408542453.db2.gz BYLSKVYNCOUEHD-UHFFFAOYSA-N 1 1 308.382 1.173 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178044 408544086 /nfs/dbraw/zinc/54/40/86/408544086.db2.gz VYMZUZPTLAMBIX-GXTWGEPZSA-N 1 1 321.381 1.124 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248662449 408612205 /nfs/dbraw/zinc/61/22/05/408612205.db2.gz GWUPJDYTQFRAKD-WDEREUQCSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248662449 408612208 /nfs/dbraw/zinc/61/22/08/408612208.db2.gz GWUPJDYTQFRAKD-WDEREUQCSA-N 1 1 311.386 1.011 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177426335 408612708 /nfs/dbraw/zinc/61/27/08/408612708.db2.gz FVKIOIVZSOOQPS-HNNXBMFYSA-N 1 1 321.333 1.079 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000177434628 408615018 /nfs/dbraw/zinc/61/50/18/408615018.db2.gz JYTVBBBYUOJFKO-HNNXBMFYSA-N 1 1 308.334 1.859 20 5 DDBDMO CC(C)C[C@H](CO)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185333657 408795705 /nfs/dbraw/zinc/79/57/05/408795705.db2.gz NYAXTKNOZBSZME-GFCCVEGCSA-N 1 1 309.366 1.872 20 5 DDBDMO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185333657 408795708 /nfs/dbraw/zinc/79/57/08/408795708.db2.gz NYAXTKNOZBSZME-GFCCVEGCSA-N 1 1 309.366 1.872 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164563749 408799790 /nfs/dbraw/zinc/79/97/90/408799790.db2.gz DWCUXHPOLMRTLQ-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cccc1[N+](=O)[O-] ZINC000285853393 408876665 /nfs/dbraw/zinc/87/66/65/408876665.db2.gz QKJOPQMOCQUFGR-OCCSQVGLSA-N 1 1 304.350 1.501 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cccc1[N+](=O)[O-] ZINC000285853393 408876667 /nfs/dbraw/zinc/87/66/67/408876667.db2.gz QKJOPQMOCQUFGR-OCCSQVGLSA-N 1 1 304.350 1.501 20 5 DDBDMO Cc1cc([N+](=O)[O-])cn(CCC[NH+]2CCN(C(C)C)CC2)c1=O ZINC000276332035 408836963 /nfs/dbraw/zinc/83/69/63/408836963.db2.gz LIXYPICPNCKQKH-UHFFFAOYSA-N 1 1 322.409 1.481 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000277362796 408926173 /nfs/dbraw/zinc/92/61/73/408926173.db2.gz CKBMXQOAIOQJFW-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000277362796 408926176 /nfs/dbraw/zinc/92/61/76/408926176.db2.gz CKBMXQOAIOQJFW-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCF ZINC000281832934 408937989 /nfs/dbraw/zinc/93/79/89/408937989.db2.gz ABQWWGSZXURJNI-QMMMGPOBSA-N 1 1 303.721 1.812 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286375500 408972295 /nfs/dbraw/zinc/97/22/95/408972295.db2.gz COUSGFPLILJUNV-UHFFFAOYSA-N 1 1 321.337 1.505 20 5 DDBDMO Cc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000278948008 409117757 /nfs/dbraw/zinc/11/77/57/409117757.db2.gz WZBDNMKMYSNNSJ-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000278948008 409117761 /nfs/dbraw/zinc/11/77/61/409117761.db2.gz WZBDNMKMYSNNSJ-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289447474 409273475 /nfs/dbraw/zinc/27/34/75/409273475.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 1 1 307.394 1.524 20 5 DDBDMO CN(C[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447474 409273479 /nfs/dbraw/zinc/27/34/79/409273479.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 1 1 307.394 1.524 20 5 DDBDMO CN(C[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447474 409273480 /nfs/dbraw/zinc/27/34/80/409273480.db2.gz ULJVSGFOCCMMBA-INIZCTEOSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(C)CO ZINC000295321188 409432652 /nfs/dbraw/zinc/43/26/52/409432652.db2.gz WKIJBHZGPVDVNL-NSHDSACASA-N 1 1 309.366 1.872 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000321888212 164045950 /nfs/dbraw/zinc/04/59/50/164045950.db2.gz RMGHKINCVIRRAP-RYUDHWBXSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408128958 164236298 /nfs/dbraw/zinc/23/62/98/164236298.db2.gz MLEWTVLSYRLYIP-KOLCDFICSA-N 1 1 309.370 1.049 20 5 DDBDMO C[N@H+](Cc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304386549 409617719 /nfs/dbraw/zinc/61/77/19/409617719.db2.gz ZRMLRFUGCALLNA-CQSZACIVSA-N 1 1 308.313 1.423 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CCO)C1CC1 ZINC000304244770 409587295 /nfs/dbraw/zinc/58/72/95/409587295.db2.gz UTLZFHPPFWBTQV-UHFFFAOYSA-N 1 1 321.333 1.350 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354441831 409859156 /nfs/dbraw/zinc/85/91/56/409859156.db2.gz WXDPGXVXYTWESE-VXGBXAGGSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244112 409870547 /nfs/dbraw/zinc/87/05/47/409870547.db2.gz UNJPEFOYRLLDEA-TUAOUCFPSA-N 1 1 321.381 1.131 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254939 409878299 /nfs/dbraw/zinc/87/82/99/409878299.db2.gz HSTLVKNXIPQTTC-SDDRHHMPSA-N 1 1 321.381 1.131 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000324475721 409925763 /nfs/dbraw/zinc/92/57/63/409925763.db2.gz FFXSXINBBXHEFF-SNVBAGLBSA-N 1 1 324.356 1.776 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000332238078 410003900 /nfs/dbraw/zinc/00/39/00/410003900.db2.gz HQWZMQHBXGCXIT-QWHCGFSZSA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1COC[C@@H]1O ZINC000339192478 410068085 /nfs/dbraw/zinc/06/80/85/410068085.db2.gz GDTHDUPFQOHNEI-NEPJUHHUSA-N 1 1 320.267 1.805 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1COC[C@@H]1O ZINC000339192478 410068088 /nfs/dbraw/zinc/06/80/88/410068088.db2.gz GDTHDUPFQOHNEI-NEPJUHHUSA-N 1 1 320.267 1.805 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000339399028 410160921 /nfs/dbraw/zinc/16/09/21/410160921.db2.gz YNBATDFBURBILB-JKSUJKDBSA-N 1 1 305.378 1.890 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357646143 410161693 /nfs/dbraw/zinc/16/16/93/410161693.db2.gz KRRNVSYIVRFTSF-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CN(CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357646143 410161701 /nfs/dbraw/zinc/16/17/01/410161701.db2.gz KRRNVSYIVRFTSF-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347015011 410314841 /nfs/dbraw/zinc/31/48/41/410314841.db2.gz UZWCWBRYIQEHCE-CYBMUJFWSA-N 1 1 319.361 1.669 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351945775 410356286 /nfs/dbraw/zinc/35/62/86/410356286.db2.gz ULEJACICEDUGJC-GWCFXTLKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343432241 410449295 /nfs/dbraw/zinc/44/92/95/410449295.db2.gz KLEQWZGKIDVONH-GWCFXTLKSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343464888 410473677 /nfs/dbraw/zinc/47/36/77/410473677.db2.gz YVUPJVFNUCZCRI-NWDGAFQWSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[nH]3)n1)OC2 ZINC000347343706 410485864 /nfs/dbraw/zinc/48/58/64/410485864.db2.gz SSYNBEYMYRCTFS-HZMBPMFUSA-N 1 1 319.321 1.899 20 5 DDBDMO C[C@@H](O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339738357 410427681 /nfs/dbraw/zinc/42/76/81/410427681.db2.gz HBRRZQMYYAWZEL-CYBMUJFWSA-N 1 1 321.377 1.514 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(CO)CO ZINC000347354426 410493142 /nfs/dbraw/zinc/49/31/42/410493142.db2.gz BEYOAFAPHLXPPP-QPEQYQDCSA-N 1 1 308.378 1.921 20 5 DDBDMO COC1CC([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352233805 410568702 /nfs/dbraw/zinc/56/87/02/410568702.db2.gz ZMWXZBODZKNBCN-UHFFFAOYSA-N 1 1 307.350 1.667 20 5 DDBDMO COC1CC([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000352233805 410568708 /nfs/dbraw/zinc/56/87/08/410568708.db2.gz ZMWXZBODZKNBCN-UHFFFAOYSA-N 1 1 307.350 1.667 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000301304083 410695731 /nfs/dbraw/zinc/69/57/31/410695731.db2.gz SVEFHFGTTUBOCR-AWEZNQCLSA-N 1 1 322.384 1.950 20 5 DDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450118 410698563 /nfs/dbraw/zinc/69/85/63/410698563.db2.gz ILXYBLBIUZGOSY-GFCCVEGCSA-N 1 1 323.393 1.577 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450118 410698568 /nfs/dbraw/zinc/69/85/68/410698568.db2.gz ILXYBLBIUZGOSY-GFCCVEGCSA-N 1 1 323.393 1.577 20 5 DDBDMO CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000352956299 410699789 /nfs/dbraw/zinc/69/97/89/410699789.db2.gz LBHLDINZVFHWBY-NSHDSACASA-N 1 1 305.334 1.609 20 5 DDBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[NH+]1CCOCC1 ZINC000330427710 410684654 /nfs/dbraw/zinc/68/46/54/410684654.db2.gz GFVVLWWOPGMIND-ZDUSSCGKSA-N 1 1 324.381 1.020 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355824088 410688521 /nfs/dbraw/zinc/68/85/21/410688521.db2.gz GSTXLWVEXGRNQB-NSHDSACASA-N 1 1 323.349 1.054 20 5 DDBDMO Cc1nc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301659660 410764345 /nfs/dbraw/zinc/76/43/45/410764345.db2.gz TWNSYRMWLSPTLW-GFCCVEGCSA-N 1 1 320.393 1.988 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356157854 410870360 /nfs/dbraw/zinc/87/03/60/410870360.db2.gz MGWOXURJOYPKIK-LBPRGKRZSA-N 1 1 323.397 1.570 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348349483 410929873 /nfs/dbraw/zinc/92/98/73/410929873.db2.gz ZRLKLIGVPYCQNR-UHFFFAOYSA-N 1 1 303.362 1.906 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344070169 410935648 /nfs/dbraw/zinc/93/56/48/410935648.db2.gz QCESWHXJBJBEJF-SCRDCRAPSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344070169 410935653 /nfs/dbraw/zinc/93/56/53/410935653.db2.gz QCESWHXJBJBEJF-SCRDCRAPSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344121042 410969645 /nfs/dbraw/zinc/96/96/45/410969645.db2.gz DZRQLJBNZDCQAO-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344121042 410969650 /nfs/dbraw/zinc/96/96/50/410969650.db2.gz DZRQLJBNZDCQAO-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[NH+]1CCC(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000331163353 410991133 /nfs/dbraw/zinc/99/11/33/410991133.db2.gz AIAMPCHLGWSENI-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO COc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000580723940 422950116 /nfs/dbraw/zinc/95/01/16/422950116.db2.gz OUCRWJOKNJXYRL-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375038647 418593488 /nfs/dbraw/zinc/59/34/88/418593488.db2.gz MAZJASZGVMQJJD-WFASDCNBSA-N 1 1 319.361 1.526 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)cccc1[N+](=O)[O-] ZINC000361213210 418606789 /nfs/dbraw/zinc/60/67/89/418606789.db2.gz QCHLAQITNSQUEA-NSHDSACASA-N 1 1 322.365 1.087 20 5 DDBDMO C[C@H]1COCCN1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610808 418661727 /nfs/dbraw/zinc/66/17/27/418661727.db2.gz HDTQXXZUGZGHKB-KBPBESRZSA-N 1 1 323.397 1.149 20 5 DDBDMO CCOc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361584682 418685802 /nfs/dbraw/zinc/68/58/02/418685802.db2.gz FXXXBGZECLMMND-GXTWGEPZSA-N 1 1 324.377 1.965 20 5 DDBDMO COc1cc(CNc2nc(N(C)C)cc[nH+]2)c([N+](=O)[O-])cc1O ZINC000361614123 418691958 /nfs/dbraw/zinc/69/19/58/418691958.db2.gz AWKHKQYSXKUGSO-UHFFFAOYSA-N 1 1 319.321 1.777 20 5 DDBDMO Nc1cc2c(nn1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000369762445 418737985 /nfs/dbraw/zinc/73/79/85/418737985.db2.gz YDGZLUDBBIJKAN-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO Nc1cc2c(nn1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000369762445 418737988 /nfs/dbraw/zinc/73/79/88/418737988.db2.gz YDGZLUDBBIJKAN-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904682 418738543 /nfs/dbraw/zinc/73/85/43/418738543.db2.gz PRYPEQPVFFEBJJ-AAEUAGOBSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904682 418738544 /nfs/dbraw/zinc/73/85/44/418738544.db2.gz PRYPEQPVFFEBJJ-AAEUAGOBSA-N 1 1 307.350 1.626 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000362058656 418746232 /nfs/dbraw/zinc/74/62/32/418746232.db2.gz DLHBHDLOSCFXCP-QWRGUYRKSA-N 1 1 309.322 1.171 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000362058656 418746234 /nfs/dbraw/zinc/74/62/34/418746234.db2.gz DLHBHDLOSCFXCP-QWRGUYRKSA-N 1 1 309.322 1.171 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371338593 418779944 /nfs/dbraw/zinc/77/99/44/418779944.db2.gz FKNXCAUQTBRILU-ZDUSSCGKSA-N 1 1 324.344 2.236 20 5 DDBDMO Nc1cc2c(nn1)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000371376780 418787089 /nfs/dbraw/zinc/78/70/89/418787089.db2.gz ZTJAIFXFWXWSTO-HWKANZROSA-N 1 1 311.345 2.039 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364939821 418826250 /nfs/dbraw/zinc/82/62/50/418826250.db2.gz ZMDYSVNXNAXNBL-SNVBAGLBSA-N 1 1 313.379 1.185 20 5 DDBDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411318490 418892750 /nfs/dbraw/zinc/89/27/50/418892750.db2.gz CGJKFGLUPNIWPF-UHFFFAOYSA-N 1 1 322.365 1.509 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712160 418893493 /nfs/dbraw/zinc/89/34/93/418893493.db2.gz FDIZQUSVGWEYTQ-QWHCGFSZSA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712160 418893495 /nfs/dbraw/zinc/89/34/95/418893495.db2.gz FDIZQUSVGWEYTQ-QWHCGFSZSA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712161 418893779 /nfs/dbraw/zinc/89/37/79/418893779.db2.gz FDIZQUSVGWEYTQ-STQMWFEESA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372712161 418893780 /nfs/dbraw/zinc/89/37/80/418893780.db2.gz FDIZQUSVGWEYTQ-STQMWFEESA-N 1 1 321.381 1.304 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930535 419361843 /nfs/dbraw/zinc/36/18/43/419361843.db2.gz CKRPACNPDIIOSE-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930535 419361847 /nfs/dbraw/zinc/36/18/47/419361847.db2.gz CKRPACNPDIIOSE-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000298156613 228385556 /nfs/dbraw/zinc/38/55/56/228385556.db2.gz PGDMFRSEKBFBIG-LBPRGKRZSA-N 1 1 320.349 1.052 20 5 DDBDMO CC(C)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005403 419439694 /nfs/dbraw/zinc/43/96/94/419439694.db2.gz GHMSVVSDHFSLBE-UHFFFAOYSA-N 1 1 315.395 1.461 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000427324492 419638425 /nfs/dbraw/zinc/63/84/25/419638425.db2.gz MWISOVJMMYOAGZ-WDEREUQCSA-N 1 1 307.354 1.168 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412033736 419576690 /nfs/dbraw/zinc/57/66/90/419576690.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412033736 419576695 /nfs/dbraw/zinc/57/66/95/419576695.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412033736 419576704 /nfs/dbraw/zinc/57/67/04/419576704.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412033736 419576710 /nfs/dbraw/zinc/57/67/10/419576710.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412033736 419576719 /nfs/dbraw/zinc/57/67/19/419576719.db2.gz SFUVQOMIDIIIJJ-GFCCVEGCSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416294353 420310296 /nfs/dbraw/zinc/31/02/96/420310296.db2.gz KVODYNCPAXUXRG-VXGBXAGGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416294353 420310300 /nfs/dbraw/zinc/31/03/00/420310300.db2.gz KVODYNCPAXUXRG-VXGBXAGGSA-N 1 1 321.377 1.430 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000420804829 420399097 /nfs/dbraw/zinc/39/90/97/420399097.db2.gz ACLCDAYYTZZNJT-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO O=C1CC[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000451048465 420588993 /nfs/dbraw/zinc/58/89/93/420588993.db2.gz KAMLRUBOUZGQKL-GFCCVEGCSA-N 1 1 319.361 1.706 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C(C)C ZINC000453041969 420706411 /nfs/dbraw/zinc/70/64/11/420706411.db2.gz SBRBRONHRZNGNX-QLFBSQMISA-N 1 1 310.398 1.765 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC[NH3+])C1 ZINC000443078024 420742816 /nfs/dbraw/zinc/74/28/16/420742816.db2.gz VVVDAVACYRRMRL-STQMWFEESA-N 1 1 320.393 1.983 20 5 DDBDMO CNc1nc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000455381105 421004599 /nfs/dbraw/zinc/00/45/99/421004599.db2.gz JFAOOBPNISPBEF-SECBINFHSA-N 1 1 307.354 1.244 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000546809800 421311304 /nfs/dbraw/zinc/31/13/04/421311304.db2.gz DUQYXVVSLHGNNJ-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(C)CO ZINC000546809800 421311306 /nfs/dbraw/zinc/31/13/06/421311306.db2.gz DUQYXVVSLHGNNJ-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000524783283 421273120 /nfs/dbraw/zinc/27/31/20/421273120.db2.gz FTGMFNKPELCJOC-AAEUAGOBSA-N 1 1 306.366 1.877 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000546878069 421314008 /nfs/dbraw/zinc/31/40/08/421314008.db2.gz BKQCDTDOSNFNRJ-LLVKDONJSA-N 1 1 313.379 1.215 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548387371 421431619 /nfs/dbraw/zinc/43/16/19/421431619.db2.gz CTLKNYBTXCAPMK-UHFFFAOYSA-N 1 1 319.296 1.419 20 5 DDBDMO O=C1NCC[C@@]12CCC[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000516875017 421574423 /nfs/dbraw/zinc/57/44/23/421574423.db2.gz BIXMRMJCNIHQLY-HNNXBMFYSA-N 1 1 305.334 1.328 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000518792704 421668403 /nfs/dbraw/zinc/66/84/03/421668403.db2.gz QCMQAAMSJCDGSR-LBPRGKRZSA-N 1 1 303.362 1.821 20 5 DDBDMO CCOCC[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000521068434 421773275 /nfs/dbraw/zinc/77/32/75/421773275.db2.gz YUEQUYHCTHANLR-UHFFFAOYSA-N 1 1 309.366 1.762 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000580966231 421875025 /nfs/dbraw/zinc/87/50/25/421875025.db2.gz YUYPQQIEKOWMEI-UHFFFAOYSA-N 1 1 323.397 1.351 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000582098119 422107798 /nfs/dbraw/zinc/10/77/98/422107798.db2.gz XFOMUTWEMQWSBS-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000582098119 422107804 /nfs/dbraw/zinc/10/78/04/422107804.db2.gz XFOMUTWEMQWSBS-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000583703071 422213978 /nfs/dbraw/zinc/21/39/78/422213978.db2.gz MDQHSDKUVKRHKG-LLVKDONJSA-N 1 1 323.397 1.882 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201831 422331340 /nfs/dbraw/zinc/33/13/40/422331340.db2.gz WDTKQPMHNPKIDS-QJPTWQEYSA-N 1 1 308.334 1.512 20 5 DDBDMO CC(C)Oc1nc(N[C@@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000594581377 422349888 /nfs/dbraw/zinc/34/98/88/422349888.db2.gz QTGZWQQDTVOWMG-LLVKDONJSA-N 1 1 317.349 2.400 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000076066451 263328776 /nfs/dbraw/zinc/32/87/76/263328776.db2.gz DKFYHXZEQKVNIN-QWHCGFSZSA-N 1 1 314.411 1.226 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000342365447 271391129 /nfs/dbraw/zinc/39/11/29/271391129.db2.gz VYYKYQXPAUYICL-WDEREUQCSA-N 1 1 322.365 1.979 20 5 DDBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CCC2)C1 ZINC000344732967 272103607 /nfs/dbraw/zinc/10/36/07/272103607.db2.gz ULVQEXCAVYWYKK-NSHDSACASA-N 1 1 321.381 1.275 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCC[N@H+]1C ZINC000345321781 272219311 /nfs/dbraw/zinc/21/93/11/272219311.db2.gz OUQYRXIADAGGPE-KCJUWKMLSA-N 1 1 310.329 1.529 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000345925022 272366821 /nfs/dbraw/zinc/36/68/21/272366821.db2.gz LDPMHUSLQDSQDQ-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302401062 274369529 /nfs/dbraw/zinc/36/95/29/274369529.db2.gz JXXBVDFFEWCDHN-SECBINFHSA-N 1 1 300.746 1.146 20 5 DDBDMO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302401062 274369530 /nfs/dbraw/zinc/36/95/30/274369530.db2.gz JXXBVDFFEWCDHN-SECBINFHSA-N 1 1 300.746 1.146 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CCC[N@H+](CCO)CC3)c2c1 ZINC000413125971 275038843 /nfs/dbraw/zinc/03/88/43/275038843.db2.gz RPLAATMDOZDVIP-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000179710537 278179943 /nfs/dbraw/zinc/17/99/43/278179943.db2.gz ODCGDVVUYJLXJR-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179710537 278179944 /nfs/dbraw/zinc/17/99/44/278179944.db2.gz ODCGDVVUYJLXJR-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179710537 278179946 /nfs/dbraw/zinc/17/99/46/278179946.db2.gz ODCGDVVUYJLXJR-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732646 290182307 /nfs/dbraw/zinc/18/23/07/290182307.db2.gz GCQVBDUUNXUHKH-ZYHUDNBSSA-N 1 1 319.365 1.009 20 5 DDBDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000354233671 298375664 /nfs/dbraw/zinc/37/56/64/298375664.db2.gz AMGAJODIZOSZPC-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000357965269 299034795 /nfs/dbraw/zinc/03/47/95/299034795.db2.gz QTTVCIBXTITYGH-MNOVXSKESA-N 1 1 309.370 1.321 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362279590 300042880 /nfs/dbraw/zinc/04/28/80/300042880.db2.gz HQQQUWXEYODFOY-TVQRCGJNSA-N 1 1 322.340 1.482 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362577656 300100850 /nfs/dbraw/zinc/10/08/50/300100850.db2.gz QKJFGHDHQJHFNO-CJNGLKHVSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362577656 300100852 /nfs/dbraw/zinc/10/08/52/300100852.db2.gz QKJFGHDHQJHFNO-CJNGLKHVSA-N 1 1 322.361 1.445 20 5 DDBDMO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000363305886 300248746 /nfs/dbraw/zinc/24/87/46/300248746.db2.gz UNPPXEBNRRDBIT-HZPDHXFCSA-N 1 1 317.389 1.475 20 5 DDBDMO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000363328693 300252142 /nfs/dbraw/zinc/25/21/42/300252142.db2.gz OOCCLZIJMQNXAY-CYBMUJFWSA-N 1 1 318.333 1.063 20 5 DDBDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000363328693 300252146 /nfs/dbraw/zinc/25/21/46/300252146.db2.gz OOCCLZIJMQNXAY-CYBMUJFWSA-N 1 1 318.333 1.063 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364209510 300357388 /nfs/dbraw/zinc/35/73/88/300357388.db2.gz BRJBKHCNFVXUJK-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO CC(C)NC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364322584 300376187 /nfs/dbraw/zinc/37/61/87/300376187.db2.gz GRIWGSLDIYEUDT-LBPRGKRZSA-N 1 1 309.370 1.343 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366548311 300714586 /nfs/dbraw/zinc/71/45/86/300714586.db2.gz ZTXOZHCLWVQWHQ-AWEZNQCLSA-N 1 1 321.377 1.380 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368351025 301008683 /nfs/dbraw/zinc/00/86/83/301008683.db2.gz ADTGRRZVQIYQJF-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO C[C@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810581 301091875 /nfs/dbraw/zinc/09/18/75/301091875.db2.gz OOECYWHQNRSTFQ-TZMCWYRMSA-N 1 1 324.381 1.043 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369972655 301249098 /nfs/dbraw/zinc/24/90/98/301249098.db2.gz HTVLPBIZLYYOMT-GFCCVEGCSA-N 1 1 309.370 1.297 20 5 DDBDMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369972655 301249100 /nfs/dbraw/zinc/24/91/00/301249100.db2.gz HTVLPBIZLYYOMT-GFCCVEGCSA-N 1 1 309.370 1.297 20 5 DDBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869461 302007723 /nfs/dbraw/zinc/00/77/23/302007723.db2.gz AGBULJABLODGJF-QWHCGFSZSA-N 1 1 307.398 1.777 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377481812 302183991 /nfs/dbraw/zinc/18/39/91/302183991.db2.gz OPIPQXOXQITNGV-CABCVRRESA-N 1 1 319.361 1.117 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377604870 302197406 /nfs/dbraw/zinc/19/74/06/302197406.db2.gz JTLIBOBPEWBVQI-MNOVXSKESA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377604870 302197409 /nfs/dbraw/zinc/19/74/09/302197409.db2.gz JTLIBOBPEWBVQI-MNOVXSKESA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804458 303257904 /nfs/dbraw/zinc/25/79/04/303257904.db2.gz ZPGCKLGGYGKRCB-NHYWBVRUSA-N 1 1 318.377 1.877 20 5 DDBDMO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364755329 307050431 /nfs/dbraw/zinc/05/04/31/307050431.db2.gz PSKYWIGMEZPYDL-UHOFOFEASA-N 1 1 317.389 1.993 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nnc2n1CCOC2 ZINC000373613654 307192283 /nfs/dbraw/zinc/19/22/83/307192283.db2.gz WEEJNEALMAQTCO-HWKANZROSA-N 1 1 315.333 1.520 20 5 DDBDMO Cn1cc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000374051197 307201031 /nfs/dbraw/zinc/20/10/31/307201031.db2.gz QCKIOLHGRMDEEZ-UHFFFAOYSA-N 1 1 304.354 1.441 20 5 DDBDMO C[C@@H]1[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCC12CCOCC2 ZINC000375243277 307219483 /nfs/dbraw/zinc/21/94/83/307219483.db2.gz WICBLJBSSBMTMH-ZDUSSCGKSA-N 1 1 321.377 1.648 20 5 DDBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301689 307242553 /nfs/dbraw/zinc/24/25/53/307242553.db2.gz HTFUGVZZEAGRCO-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301689 307242554 /nfs/dbraw/zinc/24/25/54/307242554.db2.gz HTFUGVZZEAGRCO-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301689 307242555 /nfs/dbraw/zinc/24/25/55/307242555.db2.gz HTFUGVZZEAGRCO-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000376643034 307251148 /nfs/dbraw/zinc/25/11/48/307251148.db2.gz MSTRXQXZQSUFFX-SMDDNHRTSA-N 1 1 304.350 1.464 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376875152 307257518 /nfs/dbraw/zinc/25/75/18/307257518.db2.gz ILLOSPNNURBPIE-WDEREUQCSA-N 1 1 305.338 1.160 20 5 DDBDMO COc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000584301065 332228828 /nfs/dbraw/zinc/22/88/28/332228828.db2.gz ISIYLWPUAARCTN-NWDGAFQWSA-N 1 1 319.361 1.912 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451900845 534481542 /nfs/dbraw/zinc/48/15/42/534481542.db2.gz MGBFDXBGVUIBOV-MRXNPFEDSA-N 1 1 319.361 1.696 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000445132746 527969389 /nfs/dbraw/zinc/96/93/89/527969389.db2.gz GYHZMFCAICFXRB-UWVGGRQHSA-N 1 1 308.338 1.250 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2COC[C@@H]21 ZINC000452126293 529120798 /nfs/dbraw/zinc/12/07/98/529120798.db2.gz ZXQCBBFMCRBTQT-QWHCGFSZSA-N 1 1 307.350 1.113 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246383740 698348678 /nfs/dbraw/zinc/34/86/78/698348678.db2.gz OVAIUKVHOSXOKK-WFASDCNBSA-N 1 1 305.382 1.698 20 5 DDBDMO Nc1c(F)c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801486 699102672 /nfs/dbraw/zinc/10/26/72/699102672.db2.gz RENPUGLXZAKPHK-VHSXEESVSA-N 1 1 310.329 1.591 20 5 DDBDMO Cc1c(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000790453192 699461379 /nfs/dbraw/zinc/46/13/79/699461379.db2.gz QBNQBNQYZDONHU-OAHLLOKOSA-N 1 1 304.350 1.802 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792876160 699720419 /nfs/dbraw/zinc/72/04/19/699720419.db2.gz MEBOXLGAEDYCOJ-LBPRGKRZSA-N 1 1 310.310 1.363 20 5 DDBDMO COC[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742153835 699861987 /nfs/dbraw/zinc/86/19/87/699861987.db2.gz VXPGLBKSPOTYJO-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742153835 699861990 /nfs/dbraw/zinc/86/19/90/699861990.db2.gz VXPGLBKSPOTYJO-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO COC[C@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000751947720 700328920 /nfs/dbraw/zinc/32/89/20/700328920.db2.gz UULXJUBGHWDPRT-LLVKDONJSA-N 1 1 305.338 1.716 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C ZINC000754227528 700490766 /nfs/dbraw/zinc/49/07/66/700490766.db2.gz ZFNMQHCAFNPXMS-GFCCVEGCSA-N 1 1 320.393 1.827 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H]1C ZINC000754227528 700490767 /nfs/dbraw/zinc/49/07/67/700490767.db2.gz ZFNMQHCAFNPXMS-GFCCVEGCSA-N 1 1 320.393 1.827 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764903039 700990747 /nfs/dbraw/zinc/99/07/47/700990747.db2.gz WNXPVFHZXSYDGV-NSHDSACASA-N 1 1 318.333 1.705 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000764903039 700990748 /nfs/dbraw/zinc/99/07/48/700990748.db2.gz WNXPVFHZXSYDGV-NSHDSACASA-N 1 1 318.333 1.705 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCCN2CCC[N@H+](C)CC2)n1 ZINC000765483510 701015013 /nfs/dbraw/zinc/01/50/13/701015013.db2.gz SZZSKMYCRVFFDW-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCN(C)CC2)n1 ZINC000765483510 701015016 /nfs/dbraw/zinc/01/50/16/701015016.db2.gz SZZSKMYCRVFFDW-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCN(C)CC2)n1 ZINC000765483510 701015019 /nfs/dbraw/zinc/01/50/19/701015019.db2.gz SZZSKMYCRVFFDW-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1nonc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000809744593 701685074 /nfs/dbraw/zinc/68/50/74/701685074.db2.gz TVIOOFILXUBCDL-VIFPVBQESA-N 1 1 319.321 1.793 20 5 DDBDMO Nc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000768152860 701160821 /nfs/dbraw/zinc/16/08/21/701160821.db2.gz QLKZZZOYFFABRL-UHFFFAOYSA-N 1 1 319.390 1.956 20 5 DDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000768810761 701205025 /nfs/dbraw/zinc/20/50/25/701205025.db2.gz MMGXRGIYPOKGPI-MRVPVSSYSA-N 1 1 317.392 1.171 20 5 DDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000768810761 701205030 /nfs/dbraw/zinc/20/50/30/701205030.db2.gz MMGXRGIYPOKGPI-MRVPVSSYSA-N 1 1 317.392 1.171 20 5 DDBDMO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839689148 701784151 /nfs/dbraw/zinc/78/41/51/701784151.db2.gz KJRUVWAFVXYWDJ-BZUAXINKSA-N 1 1 317.389 1.995 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCCCCNC(=O)CC1 ZINC000879257697 706631331 /nfs/dbraw/zinc/63/13/31/706631331.db2.gz RDDSGROJEVLFPO-UHFFFAOYSA-N 1 1 323.397 1.482 20 5 DDBDMO C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000840179365 702015751 /nfs/dbraw/zinc/01/57/51/702015751.db2.gz RBXMSAWBLNSXOK-AWEZNQCLSA-N 1 1 315.377 1.955 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000840218222 702032587 /nfs/dbraw/zinc/03/25/87/702032587.db2.gz CBAKMWCWASWULI-GFCCVEGCSA-N 1 1 323.349 1.174 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000814173773 702490407 /nfs/dbraw/zinc/49/04/07/702490407.db2.gz QASSBLYOYYLOKV-OVHMKQCGSA-N 1 1 302.330 1.959 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000814173773 702490412 /nfs/dbraw/zinc/49/04/12/702490412.db2.gz QASSBLYOYYLOKV-OVHMKQCGSA-N 1 1 302.330 1.959 20 5 DDBDMO CSCC[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191549 702837981 /nfs/dbraw/zinc/83/79/81/702837981.db2.gz IYFXCWYIIJYUNS-JTQLQIEISA-N 1 1 309.351 1.717 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000843461995 702887323 /nfs/dbraw/zinc/88/73/23/702887323.db2.gz WNBDNFOSEZCAFG-UHFFFAOYSA-N 1 1 318.236 1.135 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000844018590 702955861 /nfs/dbraw/zinc/95/58/61/702955861.db2.gz OEYOZHVEKDZSFT-PHIMTYICSA-N 1 1 310.354 1.104 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000844018590 702955863 /nfs/dbraw/zinc/95/58/63/702955863.db2.gz OEYOZHVEKDZSFT-PHIMTYICSA-N 1 1 310.354 1.104 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564386 706718873 /nfs/dbraw/zinc/71/88/73/706718873.db2.gz ZQNKABISTZYTBL-NEPJUHHUSA-N 1 1 309.391 1.441 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000845514099 703166498 /nfs/dbraw/zinc/16/64/98/703166498.db2.gz DMSFRLPRSOQXKJ-VIFPVBQESA-N 1 1 315.732 1.908 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000845514099 703166500 /nfs/dbraw/zinc/16/65/00/703166500.db2.gz DMSFRLPRSOQXKJ-VIFPVBQESA-N 1 1 315.732 1.908 20 5 DDBDMO COc1ccnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1F ZINC000849331217 703635982 /nfs/dbraw/zinc/63/59/82/703635982.db2.gz NHBJMXQVNVFNQA-ZDUSSCGKSA-N 1 1 321.308 1.961 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852313494 704007239 /nfs/dbraw/zinc/00/72/39/704007239.db2.gz IHIBQZHFUCGHFS-IUODEOHRSA-N 1 1 317.349 1.242 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534771 704069993 /nfs/dbraw/zinc/06/99/93/704069993.db2.gz PNXFOWLMAUMQOX-SMDDNHRTSA-N 1 1 307.306 1.971 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534771 704069996 /nfs/dbraw/zinc/06/99/96/704069996.db2.gz PNXFOWLMAUMQOX-SMDDNHRTSA-N 1 1 307.306 1.971 20 5 DDBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819289648 704101632 /nfs/dbraw/zinc/10/16/32/704101632.db2.gz NAIPURLBDBKQDN-ZDUSSCGKSA-N 1 1 319.365 1.765 20 5 DDBDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789515 704132604 /nfs/dbraw/zinc/13/26/04/704132604.db2.gz HFZLOLUEBLJUSD-OLZOCXBDSA-N 1 1 324.381 1.988 20 5 DDBDMO CN(C[C@H]1CCCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870871634 704152051 /nfs/dbraw/zinc/15/20/51/704152051.db2.gz IXGPRTFMIMCAFM-GDBMZVCRSA-N 1 1 321.377 1.796 20 5 DDBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871158048 704234458 /nfs/dbraw/zinc/23/44/58/704234458.db2.gz LRUDZIDFZQPUOC-UHFFFAOYSA-N 1 1 321.381 1.588 20 5 DDBDMO Cc1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965079 704341298 /nfs/dbraw/zinc/34/12/98/704341298.db2.gz DLYYIRYQHBVFKB-CQSZACIVSA-N 1 1 305.378 1.939 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163131 704471730 /nfs/dbraw/zinc/47/17/30/704471730.db2.gz SYCVAGYSIKKEFR-KGLIPLIRSA-N 1 1 321.377 1.617 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000822568764 704976775 /nfs/dbraw/zinc/97/67/75/704976775.db2.gz HZMHUUJOONQETQ-NSHDSACASA-N 1 1 309.370 1.042 20 5 DDBDMO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000893877085 710871164 /nfs/dbraw/zinc/87/11/64/710871164.db2.gz RXYLAKIAGIKINF-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098963 705599386 /nfs/dbraw/zinc/59/93/86/705599386.db2.gz RAHWASLORUWKMO-WFASDCNBSA-N 1 1 321.377 1.476 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471960 705677347 /nfs/dbraw/zinc/67/73/47/705677347.db2.gz FVZGOJPTJOZFHC-SWLSCSKDSA-N 1 1 321.377 1.475 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])n1 ZINC000877316030 706061284 /nfs/dbraw/zinc/06/12/84/706061284.db2.gz HBEABNBFTSWBIB-GFCCVEGCSA-N 1 1 310.354 1.303 20 5 DDBDMO CCOC(=O)[C@@H](C)C1C[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000871993206 707272182 /nfs/dbraw/zinc/27/21/82/707272182.db2.gz MQTQIZYNXVNXQL-XHDPSFHLSA-N 1 1 322.361 1.759 20 5 DDBDMO CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000878251477 706338981 /nfs/dbraw/zinc/33/89/81/706338981.db2.gz MZYFDUJSHNFIDQ-SGMGOOAPSA-N 1 1 306.366 1.901 20 5 DDBDMO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000865718307 706504702 /nfs/dbraw/zinc/50/47/02/706504702.db2.gz XXVAVMNAPLHXSH-ZDUSSCGKSA-N 1 1 321.352 1.972 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145948 706891461 /nfs/dbraw/zinc/89/14/61/706891461.db2.gz SFJFMPQBJHBXKV-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145948 706891463 /nfs/dbraw/zinc/89/14/63/706891463.db2.gz SFJFMPQBJHBXKV-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[NH+](CC)Cc1cn(C[C@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881410805 707243877 /nfs/dbraw/zinc/24/38/77/707243877.db2.gz LVNNOEWBWQRCCG-HNNXBMFYSA-N 1 1 319.365 1.762 20 5 DDBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1CC1CC1 ZINC000883403048 707991339 /nfs/dbraw/zinc/99/13/39/707991339.db2.gz IVRRSDLSZMZCPC-GFCCVEGCSA-N 1 1 307.325 1.834 20 5 DDBDMO CON1CCC([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000839131964 708028979 /nfs/dbraw/zinc/02/89/79/708028979.db2.gz SDERXQQMHXIZHO-HNNXBMFYSA-N 1 1 309.366 1.586 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2ccccc21 ZINC000884548958 708327545 /nfs/dbraw/zinc/32/75/45/708327545.db2.gz WNVFXQLYNWBHRL-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO COc1cc(NCC[N@@H+](C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000884826003 708388878 /nfs/dbraw/zinc/38/88/78/708388878.db2.gz CKVJKSUNKRMTES-UHFFFAOYSA-N 1 1 303.746 1.593 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc3n2CCOC3)c(F)c1 ZINC000898271227 708593760 /nfs/dbraw/zinc/59/37/60/708593760.db2.gz VVUIGOZXRAGRBM-UHFFFAOYSA-N 1 1 306.297 1.750 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000886220302 708717823 /nfs/dbraw/zinc/71/78/23/708717823.db2.gz GEFRBSDXYDCFIL-CQSZACIVSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000886220302 708717824 /nfs/dbraw/zinc/71/78/24/708717824.db2.gz GEFRBSDXYDCFIL-CQSZACIVSA-N 1 1 306.366 1.286 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000886590858 708784387 /nfs/dbraw/zinc/78/43/87/708784387.db2.gz FZOCKLBRXKVZFQ-GFCCVEGCSA-N 1 1 308.382 1.736 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000886590858 708784390 /nfs/dbraw/zinc/78/43/90/708784390.db2.gz FZOCKLBRXKVZFQ-GFCCVEGCSA-N 1 1 308.382 1.736 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000891741798 710280720 /nfs/dbraw/zinc/28/07/20/710280720.db2.gz UICQHVBPOZOTMI-GFCCVEGCSA-N 1 1 309.370 1.019 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000902425917 710750226 /nfs/dbraw/zinc/75/02/26/710750226.db2.gz PJRFRINHKONPGF-LLVKDONJSA-N 1 1 318.333 1.787 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000902425917 710750229 /nfs/dbraw/zinc/75/02/29/710750229.db2.gz PJRFRINHKONPGF-LLVKDONJSA-N 1 1 318.333 1.787 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635598 710830595 /nfs/dbraw/zinc/83/05/95/710830595.db2.gz AWYHMDWWNQMIRW-OLZOCXBDSA-N 1 1 305.338 1.715 20 5 DDBDMO CCNc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000893872823 710867604 /nfs/dbraw/zinc/86/76/04/710867604.db2.gz WMJZUPMFQCTJOO-LBPRGKRZSA-N 1 1 306.366 1.851 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000893942029 710894671 /nfs/dbraw/zinc/89/46/71/710894671.db2.gz YQFCSHAPEIVHQU-ZYHUDNBSSA-N 1 1 320.349 1.225 20 5 DDBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928560789 713227152 /nfs/dbraw/zinc/22/71/52/713227152.db2.gz VLOUWVGMLIPRFL-HIFRSBDPSA-N 1 1 305.378 1.984 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894997044 711357793 /nfs/dbraw/zinc/35/77/93/711357793.db2.gz LSVBHURPCGGWGZ-ZCFIWIBFSA-N 1 1 316.243 1.580 20 5 DDBDMO C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1C ZINC000895737877 711591335 /nfs/dbraw/zinc/59/13/35/711591335.db2.gz GDCHUZWKTVPIMR-KOLCDFICSA-N 1 1 304.350 1.984 20 5 DDBDMO Cc1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000896219941 711693494 /nfs/dbraw/zinc/69/34/94/711693494.db2.gz JMEWOKOFZXWPCK-UKRRQHHQSA-N 1 1 318.377 1.749 20 5 DDBDMO CCO[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000905577775 712084150 /nfs/dbraw/zinc/08/41/50/712084150.db2.gz BOORPHKLJLUQNL-CABCVRRESA-N 1 1 311.382 1.185 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627341 714141769 /nfs/dbraw/zinc/14/17/69/714141769.db2.gz NVLMIROGUDLLCA-CABCVRRESA-N 1 1 321.377 1.393 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934258285 714777482 /nfs/dbraw/zinc/77/74/82/714777482.db2.gz CMKGNSJLIGXJAX-JKSUJKDBSA-N 1 1 323.368 1.765 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935479317 715065778 /nfs/dbraw/zinc/06/57/78/715065778.db2.gz SQXNEUMYGXWSBY-GJZGRUSLSA-N 1 1 303.362 1.907 20 5 DDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000935694701 715118747 /nfs/dbraw/zinc/11/87/47/715118747.db2.gz ZPIWXMCAEPAHCR-PHIMTYICSA-N 1 1 321.402 1.950 20 5 DDBDMO CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000957550086 715951062 /nfs/dbraw/zinc/95/10/62/715951062.db2.gz JAVGTRPRNGHDHZ-ZIAGYGMSSA-N 1 1 309.410 1.765 20 5 DDBDMO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022061909 734367898 /nfs/dbraw/zinc/36/78/98/734367898.db2.gz ZJUNEQVMXPERPY-LXTVHRRPSA-N 1 1 303.362 1.397 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775376 736852774 /nfs/dbraw/zinc/85/27/74/736852774.db2.gz UBZFKFHAJDHALR-AMVBZWJASA-N 1 1 319.336 1.037 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775376 736852775 /nfs/dbraw/zinc/85/27/75/736852775.db2.gz UBZFKFHAJDHALR-AMVBZWJASA-N 1 1 319.336 1.037 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775376 736852777 /nfs/dbraw/zinc/85/27/77/736852777.db2.gz UBZFKFHAJDHALR-AMVBZWJASA-N 1 1 319.336 1.037 20 5 DDBDMO CCOc1cnc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC001167833033 738957376 /nfs/dbraw/zinc/95/73/76/738957376.db2.gz VWMSDOLEEMRVNP-UHFFFAOYSA-N 1 1 312.395 1.849 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(C)CC2)n1 ZINC001161700675 740661986 /nfs/dbraw/zinc/66/19/86/740661986.db2.gz PAJLYVSICUBWDE-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001121698904 744859754 /nfs/dbraw/zinc/85/97/54/744859754.db2.gz LUVJVWAONGESML-SRVKXCTJSA-N 1 1 308.386 1.166 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(CC)CCNc1ncccc1[N+](=O)[O-] ZINC001106809529 746138685 /nfs/dbraw/zinc/13/86/85/746138685.db2.gz WVEKPILTOIRYHN-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO COCCC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001194622040 746427935 /nfs/dbraw/zinc/42/79/35/746427935.db2.gz RCAXUQCESAWFDL-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO COCCC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001194622040 746427938 /nfs/dbraw/zinc/42/79/38/746427938.db2.gz RCAXUQCESAWFDL-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](CCO)[C@H](CO)C3)nc2c1 ZINC001198754688 747599779 /nfs/dbraw/zinc/59/97/79/747599779.db2.gz VLPXWCDZUSVHHR-QWRGUYRKSA-N 1 1 321.333 1.159 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001200472533 748265155 /nfs/dbraw/zinc/26/51/55/748265155.db2.gz QVNJYHNFOBPPJC-NXEZZACHSA-N 1 1 309.288 1.185 20 5 DDBDMO [NH3+]Cc1ncn(-c2c(Br)cc(F)cc2[N+](=O)[O-])n1 ZINC001168753264 750357420 /nfs/dbraw/zinc/35/74/20/750357420.db2.gz ANNYCLKYDCEZPI-UHFFFAOYSA-N 1 1 316.090 1.536 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018951 762199158 /nfs/dbraw/zinc/19/91/58/762199158.db2.gz FROZHUPOLHAYDY-VHDGCEQUSA-N 1 1 322.409 1.801 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046743 762204737 /nfs/dbraw/zinc/20/47/37/762204737.db2.gz MKCKNRQCOBDCHI-SRVKXCTJSA-N 1 1 302.396 1.412 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)C1 ZINC001169055291 762210322 /nfs/dbraw/zinc/21/03/22/762210322.db2.gz PBRGGDSERKFASP-APIJFGDWSA-N 1 1 315.389 1.176 20 5 DDBDMO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138935 760612917 /nfs/dbraw/zinc/61/29/17/760612917.db2.gz ISUPNFGMBCKZDE-KBUPBQIOSA-N 1 1 321.352 1.536 20 5 DDBDMO N=c1cc(C[NH3+])ncn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899761 776914791 /nfs/dbraw/zinc/91/47/91/776914791.db2.gz PFUIZBCSQWCEOY-AWEZNQCLSA-N 1 1 313.361 1.850 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001101657841 777354898 /nfs/dbraw/zinc/35/48/98/777354898.db2.gz SUVLSADPMSKHSS-UHFFFAOYSA-N 1 1 323.397 1.509 20 5 DDBDMO CC(=O)N(C)CC[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001102409752 778121676 /nfs/dbraw/zinc/12/16/76/778121676.db2.gz UBBWYXKVLXMHPJ-UHFFFAOYSA-N 1 1 320.393 1.504 20 5 DDBDMO Cn1cc([C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)nn1 ZINC001176887850 778295713 /nfs/dbraw/zinc/29/57/13/778295713.db2.gz VEPWSPBGWYDVPP-NSHDSACASA-N 1 1 302.338 1.498 20 5 DDBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)nn1 ZINC001176887850 778295714 /nfs/dbraw/zinc/29/57/14/778295714.db2.gz VEPWSPBGWYDVPP-NSHDSACASA-N 1 1 302.338 1.498 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC001110227876 779267897 /nfs/dbraw/zinc/26/78/97/779267897.db2.gz QBPLLFFVLWHJLF-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001119938552 781689461 /nfs/dbraw/zinc/68/94/61/781689461.db2.gz IWDQMPZJCPLLAZ-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001122253108 858725893 /nfs/dbraw/zinc/72/58/93/858725893.db2.gz JPEWXZSXYKDPDM-ABAIWWIYSA-N 1 1 307.350 1.406 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)[C@H]3CCOC3)C2)n1 ZINC001158731688 864867526 /nfs/dbraw/zinc/86/75/26/864867526.db2.gz UJFJTIOBIQDIGN-LBPRGKRZSA-N 1 1 306.366 1.516 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001159788822 865525436 /nfs/dbraw/zinc/52/54/36/865525436.db2.gz MPZWYXBMOSXBFE-ZDUSSCGKSA-N 1 1 320.328 1.627 20 5 DDBDMO C[C@H]1[C@H](NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001332403320 865815373 /nfs/dbraw/zinc/81/53/73/865815373.db2.gz PVVNHMYDBNDLAQ-IINYFYTJSA-N 1 1 304.350 1.713 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001160970630 866232326 /nfs/dbraw/zinc/23/23/26/866232326.db2.gz MVODAUPGENPINI-SECBINFHSA-N 1 1 300.746 1.778 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001321169935 867372554 /nfs/dbraw/zinc/37/25/54/867372554.db2.gz LRWNAVKLDVUEPG-ZDUSSCGKSA-N 1 1 308.382 1.489 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162690168 867739106 /nfs/dbraw/zinc/73/91/06/867739106.db2.gz TWVKZBSWVMJOPM-CYBMUJFWSA-N 1 1 323.349 1.053 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162690168 867739112 /nfs/dbraw/zinc/73/91/12/867739112.db2.gz TWVKZBSWVMJOPM-CYBMUJFWSA-N 1 1 323.349 1.053 20 5 DDBDMO Cc1[nH+]cc2n1CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001165386079 869559278 /nfs/dbraw/zinc/55/92/78/869559278.db2.gz XKAXPEANJAQBRJ-UHFFFAOYSA-N 1 1 309.713 1.407 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001337735037 869610943 /nfs/dbraw/zinc/61/09/43/869610943.db2.gz RRJVFKFRLHUQKX-GJZGRUSLSA-N 1 1 318.377 1.993 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC001308578352 871514175 /nfs/dbraw/zinc/51/41/75/871514175.db2.gz NREQHTIYHPCCPM-SNVBAGLBSA-N 1 1 323.349 1.396 20 5 DDBDMO O=C(NC1CC[NH+](CCCCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001227258284 882938454 /nfs/dbraw/zinc/93/84/54/882938454.db2.gz MRTUOVHGOBJLLA-CHWSQXEVSA-N 1 1 301.362 1.372 20 5 DDBDMO CCC(=O)NCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001222189135 880314347 /nfs/dbraw/zinc/31/43/47/880314347.db2.gz AOIPRGVVTAGAQX-UHFFFAOYSA-N 1 1 309.370 1.067 20 5 DDBDMO COC(=O)c1c(CO[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC001223292872 880908612 /nfs/dbraw/zinc/90/86/12/880908612.db2.gz BEYTXJHGYXPQCT-GFCCVEGCSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001227897114 883219247 /nfs/dbraw/zinc/21/92/47/883219247.db2.gz NIKDEKDVTZGSCL-JTQLQIEISA-N 1 1 317.301 1.972 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242787 883404223 /nfs/dbraw/zinc/40/42/23/883404223.db2.gz RQCCDTDCWGZGRN-SNVBAGLBSA-N 1 1 304.306 1.717 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(Cl)n3)[C@H]1CC(=O)C2 ZINC001228934449 883736845 /nfs/dbraw/zinc/73/68/45/883736845.db2.gz PNPULZODFKTVKZ-XROYCOCOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])c(Cl)n3)[C@H]1CC(=O)C2 ZINC001228934449 883736857 /nfs/dbraw/zinc/73/68/57/883736857.db2.gz PNPULZODFKTVKZ-XROYCOCOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4c[nH]cc([N+](=O)[O-])c-4n3)[C@H]1CC(=O)C2 ZINC001230230131 884382279 /nfs/dbraw/zinc/38/22/79/884382279.db2.gz LJZMMSNYPGQDHQ-HNBZJPLGSA-N 1 1 317.305 1.049 20 5 DDBDMO C[N@H+]1CC[C@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361079 887905328 /nfs/dbraw/zinc/90/53/28/887905328.db2.gz XGEBWMVCIITNMU-ZDUSSCGKSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246085804 892408275 /nfs/dbraw/zinc/40/82/75/892408275.db2.gz IZMYRNDSEVCMNT-JKSUJKDBSA-N 1 1 322.384 1.853 20 5 DDBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC001252527201 895243832 /nfs/dbraw/zinc/24/38/32/895243832.db2.gz NJXHKAFZSFNWPL-LBPRGKRZSA-N 1 1 310.354 1.599 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001254553087 896498574 /nfs/dbraw/zinc/49/85/74/896498574.db2.gz RWVQEIUHSFCQJW-WBMJQRKESA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N(C)C2COC2)C1 ZINC001254559175 896502245 /nfs/dbraw/zinc/50/22/45/896502245.db2.gz JGVVTCJCINSFCH-LBPRGKRZSA-N 1 1 305.378 1.541 20 5 DDBDMO CC(=O)N[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600392 896524432 /nfs/dbraw/zinc/52/44/32/896524432.db2.gz PNCYLLMBLZESCU-ZBFHGGJFSA-N 1 1 303.362 1.663 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610916 896530965 /nfs/dbraw/zinc/53/09/65/896530965.db2.gz MTWOTTIBRBDBGM-GJZGRUSLSA-N 1 1 320.345 1.326 20 5 DDBDMO CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001265709902 902328698 /nfs/dbraw/zinc/32/86/98/902328698.db2.gz WHWSLWXLGLKUNK-FOLVSLTJSA-N 1 1 303.362 1.941 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000248671350 282098526 /nfs/dbraw/zinc/09/85/26/282098526.db2.gz QSCYALNLGWISIQ-VXGBXAGGSA-N 1 1 323.397 1.661 20 5 DDBDMO CC1(C)C[N@H+](CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278578767 214249936 /nfs/dbraw/zinc/24/99/36/214249936.db2.gz XXJNAOOFVRLIPM-UHFFFAOYSA-N 1 1 319.365 1.994 20 5 DDBDMO CC1(C)C[N@@H+](CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278578767 214249939 /nfs/dbraw/zinc/24/99/39/214249939.db2.gz XXJNAOOFVRLIPM-UHFFFAOYSA-N 1 1 319.365 1.994 20 5 DDBDMO C[C@H](O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451083864 231006341 /nfs/dbraw/zinc/00/63/41/231006341.db2.gz WWDULYIXZDBMHK-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000249548869 282170369 /nfs/dbraw/zinc/17/03/69/282170369.db2.gz HDCBNFZNMDSCTB-IFUGULHKSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000249548869 282170372 /nfs/dbraw/zinc/17/03/72/282170372.db2.gz HDCBNFZNMDSCTB-IFUGULHKSA-N 1 1 321.377 1.933 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071334 231289731 /nfs/dbraw/zinc/28/97/31/231289731.db2.gz UMKDNEFYWOJEQQ-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452071334 231289735 /nfs/dbraw/zinc/28/97/35/231289735.db2.gz UMKDNEFYWOJEQQ-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614895151 362066976 /nfs/dbraw/zinc/06/69/76/362066976.db2.gz PFAACIWFMOJYEP-UHFFFAOYSA-N 1 1 321.377 1.052 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294423930 529792777 /nfs/dbraw/zinc/79/27/77/529792777.db2.gz GATYDGOCHQUQTF-LBPRGKRZSA-N 1 1 319.361 1.626 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286722005 219129318 /nfs/dbraw/zinc/12/93/18/219129318.db2.gz BDIBOCNDWIXKTF-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851886 232112099 /nfs/dbraw/zinc/11/20/99/232112099.db2.gz QGAUUEZTJRLKKA-QWHCGFSZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330851886 232112102 /nfs/dbraw/zinc/11/21/02/232112102.db2.gz QGAUUEZTJRLKKA-QWHCGFSZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000331013449 232339738 /nfs/dbraw/zinc/33/97/38/232339738.db2.gz KNHPSMRBQBVBHC-SNVBAGLBSA-N 1 1 310.329 1.308 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272635808 210038740 /nfs/dbraw/zinc/03/87/40/210038740.db2.gz NRQJBUXITCRVNH-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286953363 219241738 /nfs/dbraw/zinc/24/17/38/219241738.db2.gz MRQHCLLDCDXYES-NSHDSACASA-N 1 1 311.342 1.002 20 5 DDBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000601227392 358455903 /nfs/dbraw/zinc/45/59/03/358455903.db2.gz ZNDJLNWJPOXRLI-UHFFFAOYSA-N 1 1 320.349 1.391 20 5 DDBDMO Cc1[nH+]cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC000171993277 198021969 /nfs/dbraw/zinc/02/19/69/198021969.db2.gz NEFLGTQTGYRWBM-UHFFFAOYSA-N 1 1 300.318 1.997 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000026342651 352207782 /nfs/dbraw/zinc/20/77/82/352207782.db2.gz RORUIZWVOSQKBP-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C)C1 ZINC000026342651 352207785 /nfs/dbraw/zinc/20/77/85/352207785.db2.gz RORUIZWVOSQKBP-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000046858788 352465132 /nfs/dbraw/zinc/46/51/32/352465132.db2.gz YZUAWMVPFIWOMA-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052875436 352629833 /nfs/dbraw/zinc/62/98/33/352629833.db2.gz NDPPWKFJSRTWAH-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000065209127 352948950 /nfs/dbraw/zinc/94/89/50/352948950.db2.gz KXPMGKLQSFNJHD-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCC1 ZINC000065209127 352948951 /nfs/dbraw/zinc/94/89/51/352948951.db2.gz KXPMGKLQSFNJHD-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO COc1ccc(OCC[N@H+](C)CC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000173501306 198221699 /nfs/dbraw/zinc/22/16/99/198221699.db2.gz XEFHDRWMHRCTKU-UHFFFAOYSA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CC(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000173501306 198221700 /nfs/dbraw/zinc/22/17/00/198221700.db2.gz XEFHDRWMHRCTKU-UHFFFAOYSA-N 1 1 323.349 1.193 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000067292732 353043014 /nfs/dbraw/zinc/04/30/14/353043014.db2.gz RVHYUOHTBHMKPO-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000074105049 353293021 /nfs/dbraw/zinc/29/30/21/353293021.db2.gz LGOXGBKTHOBZIN-LBPRGKRZSA-N 1 1 307.350 1.435 20 5 DDBDMO C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749003 198379664 /nfs/dbraw/zinc/37/96/64/198379664.db2.gz JHDNCOZFFNPRIG-HNNXBMFYSA-N 1 1 322.340 1.466 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174810654 198388322 /nfs/dbraw/zinc/38/83/22/198388322.db2.gz XYPKGJFPVWWVOV-UHFFFAOYSA-N 1 1 320.349 1.811 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000081363239 353666749 /nfs/dbraw/zinc/66/67/49/353666749.db2.gz RASBCSCPTOVDFO-NSHDSACASA-N 1 1 309.370 1.430 20 5 DDBDMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000081363239 353666753 /nfs/dbraw/zinc/66/67/53/353666753.db2.gz RASBCSCPTOVDFO-NSHDSACASA-N 1 1 309.370 1.430 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000081363239 353666757 /nfs/dbraw/zinc/66/67/57/353666757.db2.gz RASBCSCPTOVDFO-NSHDSACASA-N 1 1 309.370 1.430 20 5 DDBDMO CC[N@@H+](C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000091461326 353827169 /nfs/dbraw/zinc/82/71/69/353827169.db2.gz RWWGLYIIMMGUSA-UHFFFAOYSA-N 1 1 306.366 1.851 20 5 DDBDMO Cc1[nH+]ccn1-c1cncc(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000092923315 353876515 /nfs/dbraw/zinc/87/65/15/353876515.db2.gz PZAMDBRUVXUFSG-UHFFFAOYSA-N 1 1 314.309 1.188 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000156826823 354222763 /nfs/dbraw/zinc/22/27/63/354222763.db2.gz SHGWGBVPXFSMOK-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000156826823 354222768 /nfs/dbraw/zinc/22/27/68/354222768.db2.gz SHGWGBVPXFSMOK-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO COc1cccc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000585781960 354841457 /nfs/dbraw/zinc/84/14/57/354841457.db2.gz GTKLYKWYLNOSMY-OLZOCXBDSA-N 1 1 307.350 1.513 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000588158183 354906545 /nfs/dbraw/zinc/90/65/45/354906545.db2.gz KPMBOFJAQDMCSL-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(=O)OC)C2)c1 ZINC000589496337 354995713 /nfs/dbraw/zinc/99/57/13/354995713.db2.gz QCLUDLDQQVFFLE-LLVKDONJSA-N 1 1 322.317 1.376 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1 ZINC000589496337 354995716 /nfs/dbraw/zinc/99/57/16/354995716.db2.gz QCLUDLDQQVFFLE-LLVKDONJSA-N 1 1 322.317 1.376 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCCOC2)c1 ZINC000589516671 354998627 /nfs/dbraw/zinc/99/86/27/354998627.db2.gz OOHQXABZDHWACI-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCCOC2)c1 ZINC000589516671 354998629 /nfs/dbraw/zinc/99/86/29/354998629.db2.gz OOHQXABZDHWACI-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000589517081 354998986 /nfs/dbraw/zinc/99/89/86/354998986.db2.gz TZQFXYPMBVDGCI-JTQLQIEISA-N 1 1 321.333 1.079 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591147452 355254747 /nfs/dbraw/zinc/25/47/47/355254747.db2.gz ONHWGTPLHZZWPF-UHFFFAOYSA-N 1 1 306.301 1.189 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061325 355784157 /nfs/dbraw/zinc/78/41/57/355784157.db2.gz IOOPWKWXSNSPQH-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061325 355784159 /nfs/dbraw/zinc/78/41/59/355784159.db2.gz IOOPWKWXSNSPQH-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071884 355787415 /nfs/dbraw/zinc/78/74/15/355787415.db2.gz VMYXVCQUPFIUKS-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(=O)c1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593502959 355905650 /nfs/dbraw/zinc/90/56/50/355905650.db2.gz GHGOOLPWBFVJGM-CYBMUJFWSA-N 1 1 305.334 1.053 20 5 DDBDMO CC(=O)c1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593502959 355905652 /nfs/dbraw/zinc/90/56/52/355905652.db2.gz GHGOOLPWBFVJGM-CYBMUJFWSA-N 1 1 305.334 1.053 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000593555492 355924054 /nfs/dbraw/zinc/92/40/54/355924054.db2.gz BKCJPFOQCNGHNB-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO COc1ccc(OCCN2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000601327567 358499464 /nfs/dbraw/zinc/49/94/64/358499464.db2.gz WUYMWVZXQWPGRZ-VXGBXAGGSA-N 1 1 309.366 1.509 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594065473 356103314 /nfs/dbraw/zinc/10/33/14/356103314.db2.gz PYAAJNFXOZPKHJ-LLVKDONJSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594065473 356103317 /nfs/dbraw/zinc/10/33/17/356103317.db2.gz PYAAJNFXOZPKHJ-LLVKDONJSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[N+](=O)[O-] ZINC000595289533 356435004 /nfs/dbraw/zinc/43/50/04/356435004.db2.gz DWAPIZBRRBSCBO-GFCCVEGCSA-N 1 1 322.365 1.629 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1[N+](=O)[O-] ZINC000595289533 356435008 /nfs/dbraw/zinc/43/50/08/356435008.db2.gz DWAPIZBRRBSCBO-GFCCVEGCSA-N 1 1 322.365 1.629 20 5 DDBDMO O=C1C[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521965 356531890 /nfs/dbraw/zinc/53/18/90/356531890.db2.gz HHNSATOMPDZWQN-GXTWGEPZSA-N 1 1 303.362 1.910 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000595608463 356575161 /nfs/dbraw/zinc/57/51/61/356575161.db2.gz QOCXKCFXVNPXGE-NSHDSACASA-N 1 1 305.313 1.848 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744989 356632411 /nfs/dbraw/zinc/63/24/11/356632411.db2.gz XPLWGVKCKBYEPX-UKRRQHHQSA-N 1 1 303.362 1.738 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595767445 356644270 /nfs/dbraw/zinc/64/42/70/356644270.db2.gz XKZTXERIGOUDCY-JHJVBQTASA-N 1 1 310.350 1.180 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595765911 356644352 /nfs/dbraw/zinc/64/43/52/356644352.db2.gz LMOMSJMVDSRSRK-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595765911 356644353 /nfs/dbraw/zinc/64/43/53/356644353.db2.gz LMOMSJMVDSRSRK-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC2(COC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595835144 356671443 /nfs/dbraw/zinc/67/14/43/356671443.db2.gz RWBFNNZZHYUGFS-UHFFFAOYSA-N 1 1 305.334 1.280 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC2(COC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595835144 356671446 /nfs/dbraw/zinc/67/14/46/356671446.db2.gz RWBFNNZZHYUGFS-UHFFFAOYSA-N 1 1 305.334 1.280 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836997 356672104 /nfs/dbraw/zinc/67/21/04/356672104.db2.gz ZQIPEGFZQVMEAB-MGPQQGTHSA-N 1 1 322.361 1.303 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595826499 356666094 /nfs/dbraw/zinc/66/60/94/356666094.db2.gz ABFDGELDKBEDBR-OLZOCXBDSA-N 1 1 322.361 1.951 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862391 356682254 /nfs/dbraw/zinc/68/22/54/356682254.db2.gz BISFALALHOIQMB-HNNXBMFYSA-N 1 1 321.377 1.331 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862391 356682257 /nfs/dbraw/zinc/68/22/57/356682257.db2.gz BISFALALHOIQMB-HNNXBMFYSA-N 1 1 321.377 1.331 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595864800 356683116 /nfs/dbraw/zinc/68/31/16/356683116.db2.gz CTHSHAMWLGUZEJ-OAHLLOKOSA-N 1 1 323.368 1.765 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596117155 356779937 /nfs/dbraw/zinc/77/99/37/356779937.db2.gz XDESJUKSJYHIHW-GFCCVEGCSA-N 1 1 322.365 1.216 20 5 DDBDMO NC(=O)c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596103642 356772722 /nfs/dbraw/zinc/77/27/22/356772722.db2.gz XFQGMZJEPGVBGY-UHFFFAOYSA-N 1 1 315.333 1.801 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537901 356910225 /nfs/dbraw/zinc/91/02/25/356910225.db2.gz JLHXGRCLCIBOHX-CYBMUJFWSA-N 1 1 321.377 1.639 20 5 DDBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000598043209 357440870 /nfs/dbraw/zinc/44/08/70/357440870.db2.gz RYFBXXWLUQISPZ-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000598342051 357543911 /nfs/dbraw/zinc/54/39/11/357543911.db2.gz CNGAUUSPDFLLBU-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000598341579 357543995 /nfs/dbraw/zinc/54/39/95/357543995.db2.gz CVABFNGSDJPNQT-GFCCVEGCSA-N 1 1 306.366 1.607 20 5 DDBDMO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000598562523 357633549 /nfs/dbraw/zinc/63/35/49/357633549.db2.gz VRYZBSYCVJXJEH-ZDUSSCGKSA-N 1 1 320.393 1.785 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)C1(F)F ZINC000599513106 357960766 /nfs/dbraw/zinc/96/07/66/357960766.db2.gz RAFFLGZMKUZIBH-PHIMTYICSA-N 1 1 315.320 1.980 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599671893 358018491 /nfs/dbraw/zinc/01/84/91/358018491.db2.gz KIZSHVWGALSCCO-KWCYVHTRSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1cc(C[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000565479094 304070814 /nfs/dbraw/zinc/07/08/14/304070814.db2.gz IRESZQBBHYBZLG-ZWNOBZJWSA-N 1 1 300.286 1.246 20 5 DDBDMO C[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000601130823 358415618 /nfs/dbraw/zinc/41/56/18/358415618.db2.gz CHCBZVWZOUYXHE-ZBEGNZNMSA-N 1 1 316.361 1.696 20 5 DDBDMO C[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000601130823 358415623 /nfs/dbraw/zinc/41/56/23/358415623.db2.gz CHCBZVWZOUYXHE-ZBEGNZNMSA-N 1 1 316.361 1.696 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601144198 358419550 /nfs/dbraw/zinc/41/95/50/358419550.db2.gz QGZVANUDKBIZLS-UHFFFAOYSA-N 1 1 321.303 1.878 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000601184126 358437779 /nfs/dbraw/zinc/43/77/79/358437779.db2.gz HSQYJGRNRUWTKW-ZJUUUORDSA-N 1 1 319.390 1.987 20 5 DDBDMO CC[N@@H+](CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000601782221 358693023 /nfs/dbraw/zinc/69/30/23/358693023.db2.gz XLHWYSVBWFSDBF-INIZCTEOSA-N 1 1 321.377 1.403 20 5 DDBDMO O=[N+]([O-])c1nccn1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000601961867 358754489 /nfs/dbraw/zinc/75/44/89/358754489.db2.gz AYGQTNSNRPSYHX-CQSZACIVSA-N 1 1 302.334 1.211 20 5 DDBDMO CC(C)(F)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000601968970 358758437 /nfs/dbraw/zinc/75/84/37/358758437.db2.gz PTRKIICTKXSQOB-UHFFFAOYSA-N 1 1 304.343 1.706 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000602045168 358789368 /nfs/dbraw/zinc/78/93/68/358789368.db2.gz KYOVQFFXBJXILI-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO CCCN1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777681 359183518 /nfs/dbraw/zinc/18/35/18/359183518.db2.gz KBTWSZGYZSZRBS-UHFFFAOYSA-N 1 1 309.414 1.906 20 5 DDBDMO CCCN1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777681 359183519 /nfs/dbraw/zinc/18/35/19/359183519.db2.gz KBTWSZGYZSZRBS-UHFFFAOYSA-N 1 1 309.414 1.906 20 5 DDBDMO O=c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c[nH]1 ZINC000602688227 359126301 /nfs/dbraw/zinc/12/63/01/359126301.db2.gz PLXCVXQEGPHDAU-UHFFFAOYSA-N 1 1 315.333 1.413 20 5 DDBDMO Cn1cc([C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000602806015 359203944 /nfs/dbraw/zinc/20/39/44/359203944.db2.gz RKFCKJABCGFTSC-LBPRGKRZSA-N 1 1 306.370 1.939 20 5 DDBDMO COC[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000602933119 359303042 /nfs/dbraw/zinc/30/30/42/359303042.db2.gz RTMCSMKWNGUMQJ-OAHLLOKOSA-N 1 1 312.366 1.869 20 5 DDBDMO C[N@@H+](Cc1ccns1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602879629 359264305 /nfs/dbraw/zinc/26/43/05/359264305.db2.gz IVIQWDXGYSRGKC-LBPRGKRZSA-N 1 1 323.374 1.923 20 5 DDBDMO C[N@H+](Cc1ccns1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602879629 359264311 /nfs/dbraw/zinc/26/43/11/359264311.db2.gz IVIQWDXGYSRGKC-LBPRGKRZSA-N 1 1 323.374 1.923 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000602960009 359322286 /nfs/dbraw/zinc/32/22/86/359322286.db2.gz HDBUZIJSNYTPIC-PHIMTYICSA-N 1 1 307.354 1.276 20 5 DDBDMO C[N@H+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000603430822 359635127 /nfs/dbraw/zinc/63/51/27/359635127.db2.gz DAQQBRGCXSBQDV-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187200713 200076668 /nfs/dbraw/zinc/07/66/68/200076668.db2.gz DQHOIPGYAIYAHO-UHFFFAOYSA-N 1 1 319.321 1.363 20 5 DDBDMO COc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604290928 359733110 /nfs/dbraw/zinc/73/31/10/359733110.db2.gz QWKPTCCSHRUJMQ-GFCCVEGCSA-N 1 1 322.365 1.497 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000604533252 359762044 /nfs/dbraw/zinc/76/20/44/359762044.db2.gz DYNCJTDNKHXWPX-ZDUSSCGKSA-N 1 1 321.377 1.820 20 5 DDBDMO CO[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189326647 200382294 /nfs/dbraw/zinc/38/22/94/200382294.db2.gz HTRFWMIFWMOBLC-XEZPLFJOSA-N 1 1 324.377 1.691 20 5 DDBDMO Cc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000610367740 360422819 /nfs/dbraw/zinc/42/28/19/360422819.db2.gz OAWBGNSKJDUQKC-CQSZACIVSA-N 1 1 320.349 1.718 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762768 360531134 /nfs/dbraw/zinc/53/11/34/360531134.db2.gz UDRNEYHHSZMTFO-JSGCOSHPSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762768 360531137 /nfs/dbraw/zinc/53/11/37/360531137.db2.gz UDRNEYHHSZMTFO-JSGCOSHPSA-N 1 1 301.346 1.968 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610900771 360567751 /nfs/dbraw/zinc/56/77/51/360567751.db2.gz KOCOVPYYJXNYGU-ZANVPECISA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900771 360567754 /nfs/dbraw/zinc/56/77/54/360567754.db2.gz KOCOVPYYJXNYGU-ZANVPECISA-N 1 1 311.313 1.183 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359027175 299311011 /nfs/dbraw/zinc/31/10/11/299311011.db2.gz NAHPDXIYIUGYBF-WDEREUQCSA-N 1 1 307.354 1.358 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611513695 360742975 /nfs/dbraw/zinc/74/29/75/360742975.db2.gz WGFKQGQMDFWOSL-SNVBAGLBSA-N 1 1 307.306 1.148 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287261 216211594 /nfs/dbraw/zinc/21/15/94/216211594.db2.gz GTLNBITZTVPLCQ-LSDHHAIUSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291883 216215865 /nfs/dbraw/zinc/21/58/65/216215865.db2.gz GXTOBPPXXVPZPQ-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000612070176 360909181 /nfs/dbraw/zinc/90/91/81/360909181.db2.gz DAYJUXDTKYMMGY-ZIAGYGMSSA-N 1 1 324.377 1.429 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000619583490 364071890 /nfs/dbraw/zinc/07/18/90/364071890.db2.gz PFABUTWZUHWVCO-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349245486 283881823 /nfs/dbraw/zinc/88/18/23/283881823.db2.gz RLKKTMFBUXWDFM-ZYHUDNBSSA-N 1 1 307.306 1.673 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264662365 204063334 /nfs/dbraw/zinc/06/33/34/204063334.db2.gz DSOKWQDOWXFTCN-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO COCCCNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282502083 217045210 /nfs/dbraw/zinc/04/52/10/217045210.db2.gz QZTDICKPJQUYRV-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO COCCCNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282502083 217045215 /nfs/dbraw/zinc/04/52/15/217045215.db2.gz QZTDICKPJQUYRV-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc([N+](=O)[O-])cn1 ZINC000282506565 217048341 /nfs/dbraw/zinc/04/83/41/217048341.db2.gz RLSNGCJVUBKSRO-UHFFFAOYSA-N 1 1 319.321 1.874 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000266210212 205185664 /nfs/dbraw/zinc/18/56/64/205185664.db2.gz XSVFDSGCWVYEHG-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266381962 205304423 /nfs/dbraw/zinc/30/44/23/205304423.db2.gz AXAXNQDQOGCESE-CQSZACIVSA-N 1 1 324.768 1.938 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104842450 194046056 /nfs/dbraw/zinc/04/60/56/194046056.db2.gz IYKJAJBRUVUBGX-UHFFFAOYSA-N 1 1 306.366 1.652 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000284715644 218147237 /nfs/dbraw/zinc/14/72/37/218147237.db2.gz ULZRFXDBGTWFQS-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284739771 218155402 /nfs/dbraw/zinc/15/54/02/218155402.db2.gz KUCWSWWEFRROMB-PELKAZGASA-N 1 1 308.294 1.117 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000076491652 207352190 /nfs/dbraw/zinc/35/21/90/207352190.db2.gz YIPSKNDDUFMRJG-OCCSQVGLSA-N 1 1 323.397 1.370 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOCC2CCC2)CC1 ZINC000419280342 285165934 /nfs/dbraw/zinc/16/59/34/285165934.db2.gz KABDVEDJHJOGDB-UHFFFAOYSA-N 1 1 320.393 1.929 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[C@@H]1O ZINC000352660155 285204649 /nfs/dbraw/zinc/20/46/49/285204649.db2.gz MUFZGFYNYZMIQM-GJZGRUSLSA-N 1 1 319.361 1.329 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000154863075 197000118 /nfs/dbraw/zinc/00/01/18/197000118.db2.gz MPIRBIBVYGPGJR-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000352914893 285384476 /nfs/dbraw/zinc/38/44/76/285384476.db2.gz MSIUHKSGNYGFSV-SNVBAGLBSA-N 1 1 304.306 1.363 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451539476 533414339 /nfs/dbraw/zinc/41/43/39/533414339.db2.gz FISFUGJRPFNBHY-JGGQBBKZSA-N 1 1 324.377 1.691 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000569589578 304366833 /nfs/dbraw/zinc/36/68/33/304366833.db2.gz LOIORXISWQQANY-UHFFFAOYSA-N 1 1 320.393 1.881 20 5 DDBDMO CCN(C)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266578623 407566657 /nfs/dbraw/zinc/56/66/57/407566657.db2.gz GWZRUFYGQQJVBM-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000078596878 407035716 /nfs/dbraw/zinc/03/57/16/407035716.db2.gz JOUORLZKNRYPCB-UHFFFAOYSA-N 1 1 320.393 1.829 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087259161 407118635 /nfs/dbraw/zinc/11/86/35/407118635.db2.gz GFWAQPZLQXVOQL-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051556033 407141591 /nfs/dbraw/zinc/14/15/91/407141591.db2.gz AAESGRFUUFXDJT-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486960 407323514 /nfs/dbraw/zinc/32/35/14/407323514.db2.gz WQHLALCCZDXHMF-NSHDSACASA-N 1 1 309.370 1.127 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000067292762 407270499 /nfs/dbraw/zinc/27/04/99/407270499.db2.gz UIIVEMZYTREJQV-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124657338 407365965 /nfs/dbraw/zinc/36/59/65/407365965.db2.gz QQFZDHFRQCDQDG-LLVKDONJSA-N 1 1 307.354 1.795 20 5 DDBDMO CCOCC[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000107678709 407378374 /nfs/dbraw/zinc/37/83/74/407378374.db2.gz WEXSGRDEHYXJNZ-UHFFFAOYSA-N 1 1 321.377 1.842 20 5 DDBDMO CCOCC[N@@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000107678709 407378375 /nfs/dbraw/zinc/37/83/75/407378375.db2.gz WEXSGRDEHYXJNZ-UHFFFAOYSA-N 1 1 321.377 1.842 20 5 DDBDMO COCC1=CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000185824215 407511628 /nfs/dbraw/zinc/51/16/28/407511628.db2.gz IXVRDDLIJRUQQO-HNNXBMFYSA-N 1 1 322.361 1.613 20 5 DDBDMO CC[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266511433 407540979 /nfs/dbraw/zinc/54/09/79/407540979.db2.gz YIOXSEUTBXAFPN-HNNXBMFYSA-N 1 1 304.350 1.674 20 5 DDBDMO C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000178863948 407629461 /nfs/dbraw/zinc/62/94/61/407629461.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 1 1 307.394 1.902 20 5 DDBDMO C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000178863948 407629466 /nfs/dbraw/zinc/62/94/66/407629466.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 1 1 307.394 1.902 20 5 DDBDMO CC[N@@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000266873378 407656343 /nfs/dbraw/zinc/65/63/43/407656343.db2.gz RMHMYGHVJGJZHB-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)Cn1cccn1 ZINC000171637171 407730862 /nfs/dbraw/zinc/73/08/62/407730862.db2.gz NDWXUFDFDTWYCH-CYBMUJFWSA-N 1 1 324.768 1.938 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)Cn1cccn1 ZINC000171637171 407730868 /nfs/dbraw/zinc/73/08/68/407730868.db2.gz NDWXUFDFDTWYCH-CYBMUJFWSA-N 1 1 324.768 1.938 20 5 DDBDMO CC(C)C[C@](C)(C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236707152 407758271 /nfs/dbraw/zinc/75/82/71/407758271.db2.gz MUBRYTPUTQFSHN-OAHLLOKOSA-N 1 1 319.365 1.964 20 5 DDBDMO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000186935556 407799375 /nfs/dbraw/zinc/79/93/75/407799375.db2.gz OYBWMSRIWBFEHZ-MNOVXSKESA-N 1 1 322.365 1.546 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499378 407949368 /nfs/dbraw/zinc/94/93/68/407949368.db2.gz DLLOUYOSBCQEPA-YNEHKIRRSA-N 1 1 321.377 1.933 20 5 DDBDMO CS[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000134616584 407916276 /nfs/dbraw/zinc/91/62/76/407916276.db2.gz OZUOWPPISNWEDN-QWHCGFSZSA-N 1 1 314.411 1.370 20 5 DDBDMO CC(C)(C)[NH2+]CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153854962 407917112 /nfs/dbraw/zinc/91/71/12/407917112.db2.gz GVNXGWXEXGUUNL-UHFFFAOYSA-N 1 1 305.338 1.589 20 5 DDBDMO C[N@@H+](CCOCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000154608531 408060122 /nfs/dbraw/zinc/06/01/22/408060122.db2.gz NDXFWMKDKVNDAV-UHFFFAOYSA-N 1 1 304.350 1.940 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000189665654 408073228 /nfs/dbraw/zinc/07/32/28/408073228.db2.gz WVXCYPYYHCCJSO-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO Cc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189722183 408090511 /nfs/dbraw/zinc/09/05/11/408090511.db2.gz ZPDDVQYTDYNISJ-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1O ZINC000273244439 408123239 /nfs/dbraw/zinc/12/32/39/408123239.db2.gz GERNIQHYFXWIGT-ZIAGYGMSSA-N 1 1 323.393 1.485 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000156333724 408251708 /nfs/dbraw/zinc/25/17/08/408251708.db2.gz FKOKSKWIAHDQNR-AWEZNQCLSA-N 1 1 321.377 1.774 20 5 DDBDMO Cc1n[nH]cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273491880 408219989 /nfs/dbraw/zinc/21/99/89/408219989.db2.gz NMBQNHYHUOZNQD-UHFFFAOYSA-N 1 1 324.362 1.190 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000190371945 408231030 /nfs/dbraw/zinc/23/10/30/408231030.db2.gz JUXRGGWZYHVNBA-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000269322685 408268682 /nfs/dbraw/zinc/26/86/82/408268682.db2.gz BTBHBPLJDJFSNT-SECBINFHSA-N 1 1 309.370 1.654 20 5 DDBDMO C[N@@H+](CCOc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000176198801 408306140 /nfs/dbraw/zinc/30/61/40/408306140.db2.gz DFFGIKNIKZROJD-UHFFFAOYSA-N 1 1 308.313 1.941 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000183612290 408455063 /nfs/dbraw/zinc/45/50/63/408455063.db2.gz SAYDBMBTINCZTD-AAEUAGOBSA-N 1 1 319.365 1.938 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177121121 408525515 /nfs/dbraw/zinc/52/55/15/408525515.db2.gz UMKKDXRQWQXLLT-VHSXEESVSA-N 1 1 304.350 1.532 20 5 DDBDMO COc1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000270566143 408581855 /nfs/dbraw/zinc/58/18/55/408581855.db2.gz RSPHULVCQSUPCH-NSHDSACASA-N 1 1 324.255 1.712 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000265270501 408600226 /nfs/dbraw/zinc/60/02/26/408600226.db2.gz GLKIWLCSIADWGC-CYBMUJFWSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@H+]1C1CC1 ZINC000184486866 408627252 /nfs/dbraw/zinc/62/72/52/408627252.db2.gz NHFFPKODVWPKTA-ZJUUUORDSA-N 1 1 304.350 1.532 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792426 408649354 /nfs/dbraw/zinc/64/93/54/408649354.db2.gz YKVWBMOXBAESOJ-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792426 408649359 /nfs/dbraw/zinc/64/93/59/408649359.db2.gz YKVWBMOXBAESOJ-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000192792426 408649364 /nfs/dbraw/zinc/64/93/64/408649364.db2.gz YKVWBMOXBAESOJ-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000270882013 408724817 /nfs/dbraw/zinc/72/48/17/408724817.db2.gz KGILFXLFFMUKSD-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000270882013 408724822 /nfs/dbraw/zinc/72/48/22/408724822.db2.gz KGILFXLFFMUKSD-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000178343338 408808316 /nfs/dbraw/zinc/80/83/16/408808316.db2.gz LSBBIXZBEFWHTH-OCCSQVGLSA-N 1 1 310.350 1.303 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000249699165 408756545 /nfs/dbraw/zinc/75/65/45/408756545.db2.gz WSMVRVBBLCIGSJ-UHFFFAOYSA-N 1 1 303.322 1.249 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000290780819 408830766 /nfs/dbraw/zinc/83/07/66/408830766.db2.gz MXICEMYAPLZDIB-GFCCVEGCSA-N 1 1 324.333 1.215 20 5 DDBDMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000285826303 408872284 /nfs/dbraw/zinc/87/22/84/408872284.db2.gz PDGPJDBCRMDJGP-ZJUUUORDSA-N 1 1 311.363 1.201 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000285826303 408872287 /nfs/dbraw/zinc/87/22/87/408872287.db2.gz PDGPJDBCRMDJGP-ZJUUUORDSA-N 1 1 311.363 1.201 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000190667911 163151689 /nfs/dbraw/zinc/15/16/89/163151689.db2.gz BWNJPGVKWPCEKO-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000192464648 163223564 /nfs/dbraw/zinc/22/35/64/163223564.db2.gz OLQVQBQVYJPGRG-SDDRHHMPSA-N 1 1 321.352 1.857 20 5 DDBDMO C[N@H+]1C[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000193636009 163261105 /nfs/dbraw/zinc/26/11/05/163261105.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000193636009 163261107 /nfs/dbraw/zinc/26/11/07/163261107.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193636009 163261110 /nfs/dbraw/zinc/26/11/10/163261110.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193636009 163261112 /nfs/dbraw/zinc/26/11/12/163261112.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 1 1 318.377 1.417 20 5 DDBDMO COCC(C)(C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292099541 408980676 /nfs/dbraw/zinc/98/06/76/408980676.db2.gz HUFMFAYEKOQQBW-LBPRGKRZSA-N 1 1 312.366 1.691 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286454144 408987549 /nfs/dbraw/zinc/98/75/49/408987549.db2.gz JZUVJRYQXCGMNN-BPLDGKMQSA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](O)CC3)n2)c1 ZINC000293282623 409082648 /nfs/dbraw/zinc/08/26/48/409082648.db2.gz VMMUHFASLSIMCY-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](O)CC3)n2)c1 ZINC000293282623 409082650 /nfs/dbraw/zinc/08/26/50/409082650.db2.gz VMMUHFASLSIMCY-CYBMUJFWSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)n1 ZINC000289410581 409266173 /nfs/dbraw/zinc/26/61/73/409266173.db2.gz AGVHIKSNKUIJTR-NSHDSACASA-N 1 1 310.745 1.588 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)n1 ZINC000289410581 409266174 /nfs/dbraw/zinc/26/61/74/409266174.db2.gz AGVHIKSNKUIJTR-NSHDSACASA-N 1 1 310.745 1.588 20 5 DDBDMO CC(C)(CCC[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000314388758 164014757 /nfs/dbraw/zinc/01/47/57/164014757.db2.gz RWAIVHDSRUHLHY-UHFFFAOYSA-N 1 1 319.358 1.530 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684378 409486229 /nfs/dbraw/zinc/48/62/29/409486229.db2.gz SUOMGKJCRMMDKA-GHMZBOCLSA-N 1 1 321.381 1.621 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000353914489 409557945 /nfs/dbraw/zinc/55/79/45/409557945.db2.gz RSCQQWDXOVVLKO-OAHLLOKOSA-N 1 1 322.365 1.345 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000346617238 410038931 /nfs/dbraw/zinc/03/89/31/410038931.db2.gz AOHJVMKKAWJGIR-GFCCVEGCSA-N 1 1 308.382 1.784 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343525033 410509730 /nfs/dbraw/zinc/50/97/30/410509730.db2.gz LSZZEVSEIMJNMJ-CMPLNLGQSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](C)O ZINC000352232549 410566427 /nfs/dbraw/zinc/56/64/27/410566427.db2.gz VMQDASVPSBRZRL-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](C)O ZINC000352232549 410566431 /nfs/dbraw/zinc/56/64/31/410566431.db2.gz VMQDASVPSBRZRL-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)cn2cc[nH+]c12 ZINC000355474049 410537386 /nfs/dbraw/zinc/53/73/86/410537386.db2.gz HROQPJSPPIQXJS-UHFFFAOYSA-N 1 1 300.278 1.537 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359354890 410619406 /nfs/dbraw/zinc/61/94/06/410619406.db2.gz VEYHAIPMODNPCT-CYBMUJFWSA-N 1 1 318.377 1.673 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000355678131 410636218 /nfs/dbraw/zinc/63/62/18/410636218.db2.gz ICMIHNDPEXSMJP-HNNXBMFYSA-N 1 1 321.333 1.159 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337299228 410699757 /nfs/dbraw/zinc/69/97/57/410699757.db2.gz MGDUOFBPHNPWIR-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299228 410699762 /nfs/dbraw/zinc/69/97/62/410699762.db2.gz MGDUOFBPHNPWIR-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000337299228 410699771 /nfs/dbraw/zinc/69/97/71/410699771.db2.gz MGDUOFBPHNPWIR-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO O=c1[n-]c(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000343762876 410678585 /nfs/dbraw/zinc/67/85/85/410678585.db2.gz HQQZBVCILZAQPJ-UHFFFAOYSA-N 1 1 309.351 1.860 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301234100 410681454 /nfs/dbraw/zinc/68/14/54/410681454.db2.gz GUXYDRWVNZPVHD-SNVBAGLBSA-N 1 1 307.354 1.375 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000353046450 410756650 /nfs/dbraw/zinc/75/66/50/410756650.db2.gz AROHVGADWQJTLB-HUUCEWRRSA-N 1 1 302.334 1.599 20 5 DDBDMO Cc1c[nH]nc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356122418 410847948 /nfs/dbraw/zinc/84/79/48/410847948.db2.gz HAGYRKHJGPVAEJ-NSHDSACASA-N 1 1 302.338 1.708 20 5 DDBDMO Cc1c[nH]nc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356122418 410847953 /nfs/dbraw/zinc/84/79/53/410847953.db2.gz HAGYRKHJGPVAEJ-NSHDSACASA-N 1 1 302.338 1.708 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000359781633 410875967 /nfs/dbraw/zinc/87/59/67/410875967.db2.gz FGKSBYLGLZIWTM-LBPRGKRZSA-N 1 1 311.386 1.418 20 5 DDBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331137272 410973234 /nfs/dbraw/zinc/97/32/34/410973234.db2.gz SFXPZNAGUUNRKZ-JTQLQIEISA-N 1 1 309.370 1.065 20 5 DDBDMO Cc1cc(=O)n(Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000353816195 411133113 /nfs/dbraw/zinc/13/31/13/411133113.db2.gz OPPCHPFORCCGSD-UHFFFAOYSA-N 1 1 316.239 1.872 20 5 DDBDMO C[N@@H+](CCC1CCOCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132559456 196265462 /nfs/dbraw/zinc/26/54/62/196265462.db2.gz WRNSUKNDDYDBIG-UHFFFAOYSA-N 1 1 309.366 1.505 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccsc3C2)c1 ZINC000132593957 196268719 /nfs/dbraw/zinc/26/87/19/196268719.db2.gz YVJJYHMUPZPFBU-LBPRGKRZSA-N 1 1 308.363 1.272 20 5 DDBDMO CNc1nccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600311701 416618191 /nfs/dbraw/zinc/61/81/91/416618191.db2.gz CEDWRHYLTIJWEK-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DDBDMO O=C1CO[C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366784187 418517845 /nfs/dbraw/zinc/51/78/45/418517845.db2.gz UKSZQTFYRKLPCA-BBZUXEQDSA-N 1 1 317.345 1.197 20 5 DDBDMO O=C1CO[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366784187 418517849 /nfs/dbraw/zinc/51/78/49/418517849.db2.gz UKSZQTFYRKLPCA-BBZUXEQDSA-N 1 1 317.345 1.197 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192633660 418524707 /nfs/dbraw/zinc/52/47/07/418524707.db2.gz AQEHFZGJMMHUGP-LBPRGKRZSA-N 1 1 311.386 1.013 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189663921 222051410 /nfs/dbraw/zinc/05/14/10/222051410.db2.gz YFCCRSQYJXZUGB-OAHLLOKOSA-N 1 1 307.350 1.431 20 5 DDBDMO COCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000189726083 222053327 /nfs/dbraw/zinc/05/33/27/222053327.db2.gz VAJMSNPBWLGNAJ-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000189726083 222053328 /nfs/dbraw/zinc/05/33/28/222053328.db2.gz VAJMSNPBWLGNAJ-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375036889 418593092 /nfs/dbraw/zinc/59/30/92/418593092.db2.gz IJGGVTLPBJRZJV-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368232017 418707795 /nfs/dbraw/zinc/70/77/95/418707795.db2.gz YVSRPARRAMNZRF-YPMHNXCESA-N 1 1 305.334 1.171 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000368305464 418717820 /nfs/dbraw/zinc/71/78/20/418717820.db2.gz VZCQDLSTRJNEEB-OAHLLOKOSA-N 1 1 320.349 1.308 20 5 DDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361578138 418684994 /nfs/dbraw/zinc/68/49/94/418684994.db2.gz PPEZKZSEMQWNAD-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361578138 418684996 /nfs/dbraw/zinc/68/49/96/418684996.db2.gz PPEZKZSEMQWNAD-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000370938557 418751452 /nfs/dbraw/zinc/75/14/52/418751452.db2.gz BFUBWUIXPRNQAS-PFSRBDOWSA-N 1 1 309.410 1.811 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365055773 418834451 /nfs/dbraw/zinc/83/44/51/418834451.db2.gz WJBLFOZWVNJZTE-NWDGAFQWSA-N 1 1 320.349 1.815 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000364788201 418809991 /nfs/dbraw/zinc/80/99/91/418809991.db2.gz JAKKZRVUJNSOGK-OAHLLOKOSA-N 1 1 321.333 1.548 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411420299 418902697 /nfs/dbraw/zinc/90/26/97/418902697.db2.gz JIUDIBBQMPHMIF-QWRGUYRKSA-N 1 1 323.349 1.387 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000372964918 418916930 /nfs/dbraw/zinc/91/69/30/418916930.db2.gz AISGHFNCFSCVSN-UHFFFAOYSA-N 1 1 319.321 1.320 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411656132 419373593 /nfs/dbraw/zinc/37/35/93/419373593.db2.gz PJPSQIHSGCPQHB-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[C@@H]1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](CC)O1 ZINC000420945690 419376848 /nfs/dbraw/zinc/37/68/48/419376848.db2.gz BFVXQEIQXYDMNX-ZIAGYGMSSA-N 1 1 309.366 1.646 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948119 419378188 /nfs/dbraw/zinc/37/81/88/419378188.db2.gz VJWNIIKPZQWSPE-UMVBOHGHSA-N 1 1 324.377 1.285 20 5 DDBDMO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+]1C ZINC000421011131 419445666 /nfs/dbraw/zinc/44/56/66/419445666.db2.gz RZYMNIVETGQFCH-HNNXBMFYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079773 419633482 /nfs/dbraw/zinc/63/34/82/419633482.db2.gz NATDXKPYNVKAED-IPYPFGDCSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000421878630 419754201 /nfs/dbraw/zinc/75/42/01/419754201.db2.gz VSPPQAMWKSZDSB-CYBMUJFWSA-N 1 1 321.377 1.350 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000421878630 419754209 /nfs/dbraw/zinc/75/42/09/419754209.db2.gz VSPPQAMWKSZDSB-CYBMUJFWSA-N 1 1 321.377 1.350 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CNCC[C@@H]1C ZINC000414932428 419879831 /nfs/dbraw/zinc/87/98/31/419879831.db2.gz RBXQHEKUBICHDF-YWPYICTPSA-N 1 1 320.393 1.900 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000430192116 420088998 /nfs/dbraw/zinc/08/89/98/420088998.db2.gz ACIUTEAEKKRSAZ-AWEZNQCLSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000430192116 420089002 /nfs/dbraw/zinc/08/90/02/420089002.db2.gz ACIUTEAEKKRSAZ-AWEZNQCLSA-N 1 1 310.350 1.577 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955385 420221988 /nfs/dbraw/zinc/22/19/88/420221988.db2.gz MCHQAZPYKWFYPB-AAEUAGOBSA-N 1 1 320.393 1.901 20 5 DDBDMO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000435871609 420291517 /nfs/dbraw/zinc/29/15/17/420291517.db2.gz UCKPNRVQGZRRHH-LBPRGKRZSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@@H+](C[C@H](O)CNCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569875 782028209 /nfs/dbraw/zinc/02/82/09/782028209.db2.gz LGYHYTVYHLCQGT-CYBMUJFWSA-N 1 1 308.382 1.051 20 5 DDBDMO CN(C[C@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569875 782028217 /nfs/dbraw/zinc/02/82/17/782028217.db2.gz LGYHYTVYHLCQGT-CYBMUJFWSA-N 1 1 308.382 1.051 20 5 DDBDMO CC(C)(C[NH+]1CCCC1)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000452091390 420623843 /nfs/dbraw/zinc/62/38/43/420623843.db2.gz BJFNTCLYWIACQA-UHFFFAOYSA-N 1 1 308.382 1.221 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000492874498 420697266 /nfs/dbraw/zinc/69/72/66/420697266.db2.gz PQUFSJKTSICSNE-GFCCVEGCSA-N 1 1 322.365 1.497 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000492874498 420697269 /nfs/dbraw/zinc/69/72/69/420697269.db2.gz PQUFSJKTSICSNE-GFCCVEGCSA-N 1 1 322.365 1.497 20 5 DDBDMO CC1(CC(F)(F)F)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000453031658 420704821 /nfs/dbraw/zinc/70/48/21/420704821.db2.gz HOIMEXRPQIQWGX-JTQLQIEISA-N 1 1 322.287 1.427 20 5 DDBDMO CC1(CC(F)(F)F)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000453031673 420704051 /nfs/dbraw/zinc/70/40/51/420704051.db2.gz HOIMEXRPQIQWGX-SNVBAGLBSA-N 1 1 322.287 1.427 20 5 DDBDMO CCOC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706765 420853461 /nfs/dbraw/zinc/85/34/61/420853461.db2.gz JEAHJLPCSPMOSU-GXTWGEPZSA-N 1 1 312.370 1.043 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488753102 421112132 /nfs/dbraw/zinc/11/21/32/421112132.db2.gz QHDPAOIMYJIDDM-NEPJUHHUSA-N 1 1 310.350 1.685 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455867805 421070625 /nfs/dbraw/zinc/07/06/25/421070625.db2.gz XIPIUWQMVHWIMH-UHFFFAOYSA-N 1 1 309.370 1.493 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCCC[N@@H+]3CCO)[nH]c2c1 ZINC000450613304 421216943 /nfs/dbraw/zinc/21/69/43/421216943.db2.gz LQJFJAAUGADEBW-GFCCVEGCSA-N 1 1 319.365 1.152 20 5 DDBDMO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCO ZINC000450452368 421199621 /nfs/dbraw/zinc/19/96/21/421199621.db2.gz MIZOZAXEHKOIAU-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000563363915 421492873 /nfs/dbraw/zinc/49/28/73/421492873.db2.gz NABPMAOJBBGZCZ-LBPRGKRZSA-N 1 1 307.350 1.656 20 5 DDBDMO Cc1c(CC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000581768126 422042482 /nfs/dbraw/zinc/04/24/82/422042482.db2.gz HDXGPWWSONVRPA-HIFRSBDPSA-N 1 1 303.362 1.608 20 5 DDBDMO CC(C)Oc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565852 422350686 /nfs/dbraw/zinc/35/06/86/422350686.db2.gz ISIVTQRRTQGGBC-WCQYABFASA-N 1 1 324.381 1.908 20 5 DDBDMO CC(C)Oc1nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565852 422350690 /nfs/dbraw/zinc/35/06/90/422350690.db2.gz ISIVTQRRTQGGBC-WCQYABFASA-N 1 1 324.381 1.908 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199476 422404943 /nfs/dbraw/zinc/40/49/43/422404943.db2.gz MBHXNIJWPBNIQC-LBPRGKRZSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](C)C ZINC000610541634 422467874 /nfs/dbraw/zinc/46/78/74/422467874.db2.gz YIVWTBGSLFDQAY-VIFPVBQESA-N 1 1 303.322 1.874 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)n1 ZINC000344419522 272021250 /nfs/dbraw/zinc/02/12/50/272021250.db2.gz GDOQXNXYRBTPQR-QWRGUYRKSA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000344738695 272104992 /nfs/dbraw/zinc/10/49/92/272104992.db2.gz ZSXYMHLSRLKIHT-GFCCVEGCSA-N 1 1 323.397 1.661 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000345901805 272362456 /nfs/dbraw/zinc/36/24/56/272362456.db2.gz HYEOVJBUCXZQFD-VHSXEESVSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000345901805 272362457 /nfs/dbraw/zinc/36/24/57/272362457.db2.gz HYEOVJBUCXZQFD-VHSXEESVSA-N 1 1 309.370 1.191 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000413471734 274017161 /nfs/dbraw/zinc/01/71/61/274017161.db2.gz FVANARKKHHXCDA-UHFFFAOYSA-N 1 1 323.393 1.687 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCN(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000278677459 275041096 /nfs/dbraw/zinc/04/10/96/275041096.db2.gz KQMMKYIVRLMUOB-UHFFFAOYSA-N 1 1 308.729 1.693 20 5 DDBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338327237 276002206 /nfs/dbraw/zinc/00/22/06/276002206.db2.gz XQMUUSOIGDWSSC-CQSZACIVSA-N 1 1 319.361 1.873 20 5 DDBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338327237 276002207 /nfs/dbraw/zinc/00/22/07/276002207.db2.gz XQMUUSOIGDWSSC-CQSZACIVSA-N 1 1 319.361 1.873 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292976502 277086631 /nfs/dbraw/zinc/08/66/31/277086631.db2.gz MRKKWAMWTUDXML-INIZCTEOSA-N 1 1 320.393 1.174 20 5 DDBDMO COC(=O)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413492092 277362800 /nfs/dbraw/zinc/36/28/00/277362800.db2.gz CBLBCJWBCQDFEQ-SNVBAGLBSA-N 1 1 311.313 1.275 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000185934646 279156590 /nfs/dbraw/zinc/15/65/90/279156590.db2.gz XCIVVWYZUYQLOZ-HNNXBMFYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000185934646 279156592 /nfs/dbraw/zinc/15/65/92/279156592.db2.gz XCIVVWYZUYQLOZ-HNNXBMFYSA-N 1 1 307.350 1.704 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000119537244 281101698 /nfs/dbraw/zinc/10/16/98/281101698.db2.gz DUMQAJWTSHUZTD-OAHLLOKOSA-N 1 1 319.361 1.200 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000119537244 281101700 /nfs/dbraw/zinc/10/17/00/281101700.db2.gz DUMQAJWTSHUZTD-OAHLLOKOSA-N 1 1 319.361 1.200 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000126074493 281225510 /nfs/dbraw/zinc/22/55/10/281225510.db2.gz SMHWWKJPEYKESD-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000126074493 281225513 /nfs/dbraw/zinc/22/55/13/281225513.db2.gz SMHWWKJPEYKESD-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425286672 290281246 /nfs/dbraw/zinc/28/12/46/290281246.db2.gz QQBFEXNCMQDKRZ-SMDDNHRTSA-N 1 1 304.350 1.224 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423966243 304551395 /nfs/dbraw/zinc/55/13/95/304551395.db2.gz IIRKNMBROUZEID-OAHLLOKOSA-N 1 1 312.329 1.777 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357918988 299019759 /nfs/dbraw/zinc/01/97/59/299019759.db2.gz ZKYZQTFJWIASOF-PHIMTYICSA-N 1 1 309.370 1.321 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362769779 300136230 /nfs/dbraw/zinc/13/62/30/300136230.db2.gz OBDAWTSCYFVTFJ-UHFFFAOYSA-N 1 1 301.293 1.483 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124899 300215493 /nfs/dbraw/zinc/21/54/93/300215493.db2.gz DHMOEQNNMWIJQT-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124899 300215494 /nfs/dbraw/zinc/21/54/94/300215494.db2.gz DHMOEQNNMWIJQT-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124899 300215496 /nfs/dbraw/zinc/21/54/96/300215496.db2.gz DHMOEQNNMWIJQT-KBMXLJTQSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000363328694 300252315 /nfs/dbraw/zinc/25/23/15/300252315.db2.gz OOCCLZIJMQNXAY-ZDUSSCGKSA-N 1 1 318.333 1.063 20 5 DDBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000363328694 300252317 /nfs/dbraw/zinc/25/23/17/300252317.db2.gz OOCCLZIJMQNXAY-ZDUSSCGKSA-N 1 1 318.333 1.063 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363564388 300282979 /nfs/dbraw/zinc/28/29/79/300282979.db2.gz TXAHQHKEHIWWFB-ZIAGYGMSSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367286690 300822291 /nfs/dbraw/zinc/82/22/91/300822291.db2.gz MJQDXRKJYRKIGC-MJRJWQSSSA-N 1 1 311.288 1.674 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368823391 301092749 /nfs/dbraw/zinc/09/27/49/301092749.db2.gz IJVUKGLMHYOHMZ-OAHLLOKOSA-N 1 1 321.377 1.510 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368823391 301092753 /nfs/dbraw/zinc/09/27/53/301092753.db2.gz IJVUKGLMHYOHMZ-OAHLLOKOSA-N 1 1 321.377 1.510 20 5 DDBDMO CCN1C(=O)[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369441275 301186222 /nfs/dbraw/zinc/18/62/22/301186222.db2.gz TYMHFXJSGAZLFW-CYBMUJFWSA-N 1 1 318.333 1.063 20 5 DDBDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369441275 301186225 /nfs/dbraw/zinc/18/62/25/301186225.db2.gz TYMHFXJSGAZLFW-CYBMUJFWSA-N 1 1 318.333 1.063 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC000450786543 301205471 /nfs/dbraw/zinc/20/54/71/301205471.db2.gz AKZYSXPBFZCCNZ-BETUJISGSA-N 1 1 308.382 1.498 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000450786543 301205474 /nfs/dbraw/zinc/20/54/74/301205474.db2.gz AKZYSXPBFZCCNZ-BETUJISGSA-N 1 1 308.382 1.498 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377475392 302182737 /nfs/dbraw/zinc/18/27/37/302182737.db2.gz MBRLWJCLNUGEMC-ZIAGYGMSSA-N 1 1 319.361 1.117 20 5 DDBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000516354496 302789260 /nfs/dbraw/zinc/78/92/60/302789260.db2.gz PNFQNGSAKFNURZ-ZDUSSCGKSA-N 1 1 314.345 1.979 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000536608801 303365538 /nfs/dbraw/zinc/36/55/38/303365538.db2.gz RRAFJVGRAVLPBN-RYUDHWBXSA-N 1 1 321.377 1.697 20 5 DDBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373798669 307195376 /nfs/dbraw/zinc/19/53/76/307195376.db2.gz SNAQHXUZKQFKST-XOUADPBQSA-N 1 1 315.373 1.795 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000374221002 307204239 /nfs/dbraw/zinc/20/42/39/307204239.db2.gz TYMFFXVXVZLTPF-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663594 307252360 /nfs/dbraw/zinc/25/23/60/307252360.db2.gz LJGVZJBHDXMSEJ-PWSUYJOCSA-N 1 1 320.349 1.170 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000565959802 308039474 /nfs/dbraw/zinc/03/94/74/308039474.db2.gz TUVSDFDDUUNSQC-LLVKDONJSA-N 1 1 304.350 1.216 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000571263524 308192954 /nfs/dbraw/zinc/19/29/54/308192954.db2.gz FLZDGTPQOAMEIC-GXFFZTMASA-N 1 1 319.365 1.407 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000576457294 308315558 /nfs/dbraw/zinc/31/55/58/308315558.db2.gz FHXKRLNJTUVTPD-SECBINFHSA-N 1 1 315.276 1.283 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000582676587 337120980 /nfs/dbraw/zinc/12/09/80/337120980.db2.gz ZSRNMHXSLDRRIA-JTQLQIEISA-N 1 1 317.349 1.429 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488801833 484219410 /nfs/dbraw/zinc/21/94/10/484219410.db2.gz NHVIXJIZBKDJLO-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000517484685 501057526 /nfs/dbraw/zinc/05/75/26/501057526.db2.gz VGKKCMJFIPZISG-GFCCVEGCSA-N 1 1 304.350 1.737 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000451136256 533794751 /nfs/dbraw/zinc/79/47/51/533794751.db2.gz FIZQDMPEAORWIN-BBRMVZONSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](C2CC2)C1 ZINC000452171275 533877646 /nfs/dbraw/zinc/87/76/46/533877646.db2.gz POLDLVLVTKBHCP-LLVKDONJSA-N 1 1 306.366 1.490 20 5 DDBDMO Cc1nc(N(C)CC(C)(C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000297562143 534437969 /nfs/dbraw/zinc/43/79/69/534437969.db2.gz ROBMHEARIFJBAJ-UHFFFAOYSA-N 1 1 323.397 1.488 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451940702 527784927 /nfs/dbraw/zinc/78/49/27/527784927.db2.gz VFRVWUMRLMKRJX-ZIAGYGMSSA-N 1 1 323.349 1.235 20 5 DDBDMO CCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000451522229 528061414 /nfs/dbraw/zinc/06/14/14/528061414.db2.gz AWNKHJSKUMDDHU-OCCSQVGLSA-N 1 1 309.366 1.503 20 5 DDBDMO CC(C)[C@@H]([NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803803 528532457 /nfs/dbraw/zinc/53/24/57/528532457.db2.gz WVXWYEILVWPLLG-FZMZJTMJSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@@H](N)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803803 528532463 /nfs/dbraw/zinc/53/24/63/528532463.db2.gz WVXWYEILVWPLLG-FZMZJTMJSA-N 1 1 308.382 1.885 20 5 DDBDMO NC(=O)C[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000122589916 696723645 /nfs/dbraw/zinc/72/36/45/696723645.db2.gz FTQYCRHLNOFRSC-UHFFFAOYSA-N 1 1 312.757 1.610 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000151977087 696893319 /nfs/dbraw/zinc/89/33/19/696893319.db2.gz UABXLJLYLCNYEC-UHFFFAOYSA-N 1 1 306.322 1.787 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCOCC1 ZINC000748491054 700121468 /nfs/dbraw/zinc/12/14/68/700121468.db2.gz GLNGDJOFWSXNME-UHFFFAOYSA-N 1 1 308.334 1.403 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000749675169 700176418 /nfs/dbraw/zinc/17/64/18/700176418.db2.gz JAAZODVCTXJBDV-CYBMUJFWSA-N 1 1 317.349 1.346 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000775577630 698011509 /nfs/dbraw/zinc/01/15/09/698011509.db2.gz QEKFTLUOSJBKQD-NWDGAFQWSA-N 1 1 307.350 1.493 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000776582588 698121421 /nfs/dbraw/zinc/12/14/21/698121421.db2.gz VSHLTWYEIJEWJW-CABCVRRESA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000776582588 698121425 /nfs/dbraw/zinc/12/14/25/698121425.db2.gz VSHLTWYEIJEWJW-CABCVRRESA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000776587550 698122606 /nfs/dbraw/zinc/12/26/06/698122606.db2.gz WKDIXBLAYNSSMY-HNNXBMFYSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000776587550 698122608 /nfs/dbraw/zinc/12/26/08/698122608.db2.gz WKDIXBLAYNSSMY-HNNXBMFYSA-N 1 1 322.361 1.510 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000750885172 700254404 /nfs/dbraw/zinc/25/44/04/700254404.db2.gz JFUVCMBFVCJNTB-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])cn2C)[nH+]c1 ZINC000786843416 699172674 /nfs/dbraw/zinc/17/26/74/699172674.db2.gz WFGPSFIHXHPATL-UHFFFAOYSA-N 1 1 303.322 1.479 20 5 DDBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000714244521 699269706 /nfs/dbraw/zinc/26/97/06/699269706.db2.gz KSMOTCIUTSUOBH-HOMQSWHASA-N 1 1 302.327 1.399 20 5 DDBDMO CO[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000792710861 699708553 /nfs/dbraw/zinc/70/85/53/699708553.db2.gz SXPHYMRWBLFSCG-GASCZTMLSA-N 1 1 320.349 1.556 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000792710861 699708554 /nfs/dbraw/zinc/70/85/54/699708554.db2.gz SXPHYMRWBLFSCG-GASCZTMLSA-N 1 1 320.349 1.556 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000739873057 699781623 /nfs/dbraw/zinc/78/16/23/699781623.db2.gz ROSULBUHVMKFBW-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000794709145 699826015 /nfs/dbraw/zinc/82/60/15/699826015.db2.gz CQBLKGSHFSOTSU-CQSZACIVSA-N 1 1 303.322 1.099 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000795749626 699889185 /nfs/dbraw/zinc/88/91/85/699889185.db2.gz GWQUKICIUHEAOI-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000795749626 699889187 /nfs/dbraw/zinc/88/91/87/699889187.db2.gz GWQUKICIUHEAOI-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000771950307 701338004 /nfs/dbraw/zinc/33/80/04/701338004.db2.gz LLOIGYLMLRVWCP-UHFFFAOYSA-N 1 1 304.306 1.847 20 5 DDBDMO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708648 701792021 /nfs/dbraw/zinc/79/20/21/701792021.db2.gz YMYZZWDXLJFJKW-TZMCWYRMSA-N 1 1 309.341 1.381 20 5 DDBDMO CC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000812296364 702140887 /nfs/dbraw/zinc/14/08/87/702140887.db2.gz PTMAWDSXNROMTO-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000812296364 702140889 /nfs/dbraw/zinc/14/08/89/702140889.db2.gz PTMAWDSXNROMTO-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812339546 702163605 /nfs/dbraw/zinc/16/36/05/702163605.db2.gz UUBUCAWYJRMZIJ-WDEREUQCSA-N 1 1 321.381 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812339546 702163608 /nfs/dbraw/zinc/16/36/08/702163608.db2.gz UUBUCAWYJRMZIJ-WDEREUQCSA-N 1 1 321.381 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812339546 702163612 /nfs/dbraw/zinc/16/36/12/702163612.db2.gz UUBUCAWYJRMZIJ-WDEREUQCSA-N 1 1 321.381 1.294 20 5 DDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000817282550 702326271 /nfs/dbraw/zinc/32/62/71/702326271.db2.gz GGUYXLVRDXNQJK-JTQLQIEISA-N 1 1 308.294 1.071 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000817282550 702326279 /nfs/dbraw/zinc/32/62/79/702326279.db2.gz GGUYXLVRDXNQJK-JTQLQIEISA-N 1 1 308.294 1.071 20 5 DDBDMO [NH3+]C1(CNCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1 ZINC000843367632 702867412 /nfs/dbraw/zinc/86/74/12/702867412.db2.gz GRXWEYVUVMEZFQ-UHFFFAOYSA-N 1 1 310.329 1.534 20 5 DDBDMO NC1(C[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1 ZINC000843367632 702867413 /nfs/dbraw/zinc/86/74/13/702867413.db2.gz GRXWEYVUVMEZFQ-UHFFFAOYSA-N 1 1 310.329 1.534 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846876606 703345393 /nfs/dbraw/zinc/34/53/93/703345393.db2.gz BMWJJSXEDPAJLB-CQSZACIVSA-N 1 1 317.349 1.174 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)cc1F ZINC000846876471 703345521 /nfs/dbraw/zinc/34/55/21/703345521.db2.gz UEEUEFAKCUGHQA-UHFFFAOYSA-N 1 1 305.313 1.779 20 5 DDBDMO CC1(C)C[C@H](O)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614942 706738752 /nfs/dbraw/zinc/73/87/52/706738752.db2.gz CKUFJPJTQLUXPA-UONOGXRCSA-N 1 1 324.377 1.427 20 5 DDBDMO C[N@H+]1CC[C@H](CCOC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000847827862 703474107 /nfs/dbraw/zinc/47/41/07/703474107.db2.gz YYYSGYPKYILLSW-LLVKDONJSA-N 1 1 310.354 1.411 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801139 703854807 /nfs/dbraw/zinc/85/48/07/703854807.db2.gz FGDYLNBIFMJXDH-ARLBYUKCSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801139 703854809 /nfs/dbraw/zinc/85/48/09/703854809.db2.gz FGDYLNBIFMJXDH-ARLBYUKCSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801139 703854810 /nfs/dbraw/zinc/85/48/10/703854810.db2.gz FGDYLNBIFMJXDH-ARLBYUKCSA-N 1 1 317.389 1.536 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869837 703874627 /nfs/dbraw/zinc/87/46/27/703874627.db2.gz SOEMWIHKIKLJLD-AWEZNQCLSA-N 1 1 307.394 1.654 20 5 DDBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000818585463 703931365 /nfs/dbraw/zinc/93/13/65/703931365.db2.gz CYLGMIOQQIMPAS-JTQLQIEISA-N 1 1 319.695 1.927 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986352 704043581 /nfs/dbraw/zinc/04/35/81/704043581.db2.gz MDRQUWGJTPBOFQ-HRCADAONSA-N 1 1 321.377 1.081 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000818986352 704043586 /nfs/dbraw/zinc/04/35/86/704043586.db2.gz MDRQUWGJTPBOFQ-HRCADAONSA-N 1 1 321.377 1.081 20 5 DDBDMO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000852500946 704064030 /nfs/dbraw/zinc/06/40/30/704064030.db2.gz UMCWJZTUEHMVBC-UWVGGRQHSA-N 1 1 309.322 1.952 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000870885054 704157087 /nfs/dbraw/zinc/15/70/87/704157087.db2.gz AGLRRNHDFYEVGA-DJSGYFEHSA-N 1 1 321.377 1.795 20 5 DDBDMO Nc1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964789 704341427 /nfs/dbraw/zinc/34/14/27/704341427.db2.gz APXVDNZTLNQIOM-CYBMUJFWSA-N 1 1 306.366 1.212 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874827846 705185874 /nfs/dbraw/zinc/18/58/74/705185874.db2.gz DULZTCRMSKXMSF-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846915 705201545 /nfs/dbraw/zinc/20/15/45/705201545.db2.gz LNBKUOHJJLRLNO-GJZGRUSLSA-N 1 1 319.361 1.669 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339491 705433301 /nfs/dbraw/zinc/43/33/01/705433301.db2.gz CDWSWBMNCLSUOB-NHYWBVRUSA-N 1 1 308.334 1.861 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000863032405 705852467 /nfs/dbraw/zinc/85/24/67/705852467.db2.gz ODUKBJYEQVPWBM-CYBMUJFWSA-N 1 1 318.377 1.924 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827290329 705969641 /nfs/dbraw/zinc/96/96/41/705969641.db2.gz SWEQCZYCCNCYMZ-PWSUYJOCSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827310038 705972714 /nfs/dbraw/zinc/97/27/14/705972714.db2.gz JJKDZNCTCYJWRH-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827313255 705973398 /nfs/dbraw/zinc/97/33/98/705973398.db2.gz YVPSQBRDAZHKJP-ZYHUDNBSSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827371929 705988272 /nfs/dbraw/zinc/98/82/72/705988272.db2.gz BELWJINKVDYOSD-AAEUAGOBSA-N 1 1 304.350 1.343 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000827808259 706070006 /nfs/dbraw/zinc/07/00/06/706070006.db2.gz XULJHHRWXLKRDA-LBPRGKRZSA-N 1 1 321.377 1.841 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000865006260 706324087 /nfs/dbraw/zinc/32/40/87/706324087.db2.gz HGPWXLSHZCGZIP-NSHDSACASA-N 1 1 307.325 1.629 20 5 DDBDMO C[C@@](O)(C[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303410 706352425 /nfs/dbraw/zinc/35/24/25/706352425.db2.gz PYUXGDIMAGHWMI-RHSMWYFYSA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@@](O)(C[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303410 706352428 /nfs/dbraw/zinc/35/24/28/706352428.db2.gz PYUXGDIMAGHWMI-RHSMWYFYSA-N 1 1 320.389 1.865 20 5 DDBDMO O=C1NCCCC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865459686 706437296 /nfs/dbraw/zinc/43/72/96/706437296.db2.gz JJGKXMRYFOZZMP-AWEZNQCLSA-N 1 1 300.318 1.646 20 5 DDBDMO CCN(CC)C(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865466800 706439046 /nfs/dbraw/zinc/43/90/46/706439046.db2.gz OHNPQWHABVFFJP-UHFFFAOYSA-N 1 1 302.334 1.845 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865642047 706484939 /nfs/dbraw/zinc/48/49/39/706484939.db2.gz QMJYXYZBFLCTKS-SNVBAGLBSA-N 1 1 320.324 1.954 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867229990 706932114 /nfs/dbraw/zinc/93/21/14/706932114.db2.gz NACAKDMVFNQYFS-UHFFFAOYSA-N 1 1 307.325 1.655 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432284 706973795 /nfs/dbraw/zinc/97/37/95/706973795.db2.gz NAQPICPLXRZSMY-KBPBESRZSA-N 1 1 320.349 1.707 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432284 706973797 /nfs/dbraw/zinc/97/37/97/706973797.db2.gz NAQPICPLXRZSMY-KBPBESRZSA-N 1 1 320.349 1.707 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832845579 706996041 /nfs/dbraw/zinc/99/60/41/706996041.db2.gz PCUXPUDCXYGGFE-SWLSCSKDSA-N 1 1 323.393 1.865 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880526043 707003515 /nfs/dbraw/zinc/00/35/15/707003515.db2.gz BIXFRWVOPSLYHB-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880526043 707003517 /nfs/dbraw/zinc/00/35/17/707003517.db2.gz BIXFRWVOPSLYHB-WFASDCNBSA-N 1 1 319.361 1.574 20 5 DDBDMO CCO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN(C)C ZINC000926964186 712923195 /nfs/dbraw/zinc/92/31/95/712923195.db2.gz WKIYALGJDGAGJN-WCQYABFASA-N 1 1 310.398 1.794 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000882231562 707550153 /nfs/dbraw/zinc/55/01/53/707550153.db2.gz BGDSECRHYNGMBA-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000882231562 707550156 /nfs/dbraw/zinc/55/01/56/707550156.db2.gz BGDSECRHYNGMBA-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000872786021 707601124 /nfs/dbraw/zinc/60/11/24/707601124.db2.gz OGCUDETWFYVXHY-TXEJJXNPSA-N 1 1 302.334 1.789 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)CC2 ZINC000872828353 707618055 /nfs/dbraw/zinc/61/80/55/707618055.db2.gz ZYMJKMAANOCVSI-OCCSQVGLSA-N 1 1 308.338 1.475 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)CC2 ZINC000872828353 707618057 /nfs/dbraw/zinc/61/80/57/707618057.db2.gz ZYMJKMAANOCVSI-OCCSQVGLSA-N 1 1 308.338 1.475 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000873249858 707784615 /nfs/dbraw/zinc/78/46/15/707784615.db2.gz MXPVUHPRQSOZTD-LNSITVRQSA-N 1 1 315.377 1.745 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000838144212 707853862 /nfs/dbraw/zinc/85/38/62/707853862.db2.gz LGJXOXWFPNVIKJ-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO Cc1cccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897220929 708258705 /nfs/dbraw/zinc/25/87/05/708258705.db2.gz ZSKMHWBJKIKQDQ-KGLIPLIRSA-N 1 1 305.378 1.939 20 5 DDBDMO C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000912604635 713044673 /nfs/dbraw/zinc/04/46/73/713044673.db2.gz LZFASAJDFLGSFM-LBPRGKRZSA-N 1 1 309.366 1.081 20 5 DDBDMO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402448 709037692 /nfs/dbraw/zinc/03/76/92/709037692.db2.gz CDMRAWQHEIGACO-FZMZJTMJSA-N 1 1 307.350 1.145 20 5 DDBDMO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402448 709037695 /nfs/dbraw/zinc/03/76/95/709037695.db2.gz CDMRAWQHEIGACO-FZMZJTMJSA-N 1 1 307.350 1.145 20 5 DDBDMO O=[N+]([O-])c1ncccc1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000887462834 709048713 /nfs/dbraw/zinc/04/87/13/709048713.db2.gz DEBUEFPIQHNDKR-UHFFFAOYSA-N 1 1 302.338 1.616 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887934156 709170074 /nfs/dbraw/zinc/17/00/74/709170074.db2.gz ATVUHKBZNLNZDC-WBMJQRKESA-N 1 1 318.377 1.417 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000900288495 709522735 /nfs/dbraw/zinc/52/27/35/709522735.db2.gz YWTPISDKTGSPJU-OAHLLOKOSA-N 1 1 307.350 1.058 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912912655 713122263 /nfs/dbraw/zinc/12/22/63/713122263.db2.gz CNXAHJUEVUKDBU-JTQLQIEISA-N 1 1 307.354 1.362 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890078969 709737719 /nfs/dbraw/zinc/73/77/19/709737719.db2.gz OSZLSZPUSLSIAF-UHFFFAOYSA-N 1 1 323.397 1.338 20 5 DDBDMO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900807970 709769389 /nfs/dbraw/zinc/76/93/89/709769389.db2.gz XMSLQNVDPQEXSA-GXFFZTMASA-N 1 1 324.356 1.098 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639646 710834473 /nfs/dbraw/zinc/83/44/73/710834473.db2.gz QQBZDNZCGVXUPG-KBPBESRZSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639646 710834477 /nfs/dbraw/zinc/83/44/77/710834477.db2.gz QQBZDNZCGVXUPG-KBPBESRZSA-N 1 1 317.349 1.920 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000893941967 710895005 /nfs/dbraw/zinc/89/50/05/710895005.db2.gz XULUMRVBBJOEQD-WPRPVWTQSA-N 1 1 305.363 1.740 20 5 DDBDMO CCON(C)C(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895167102 711439569 /nfs/dbraw/zinc/43/95/69/711439569.db2.gz VLWFFWMARFMRIM-UHFFFAOYSA-N 1 1 301.730 1.748 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000895771420 711602040 /nfs/dbraw/zinc/60/20/40/711602040.db2.gz KNWDNXNHLAZPQU-ZDUSSCGKSA-N 1 1 323.324 1.119 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000921336893 713738317 /nfs/dbraw/zinc/73/83/17/713738317.db2.gz ZLTQDTUEILAPKS-WCQYABFASA-N 1 1 306.366 1.968 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932004569 714231222 /nfs/dbraw/zinc/23/12/22/714231222.db2.gz ZGPRZMRHWXEXNJ-JSGCOSHPSA-N 1 1 308.334 1.323 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000925383085 714836951 /nfs/dbraw/zinc/83/69/51/714836951.db2.gz QRJUMAXHKRFFHI-MFKMUULPSA-N 1 1 303.322 1.861 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000352355703 719412821 /nfs/dbraw/zinc/41/28/21/719412821.db2.gz JIQZEOKLQLWFFL-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO COc1nc(C)c(NCC2([NH+]3CCCC3)COC2)cc1[N+](=O)[O-] ZINC001168451682 745113826 /nfs/dbraw/zinc/11/38/26/745113826.db2.gz QFROMRFEGIVTLD-UHFFFAOYSA-N 1 1 322.365 1.584 20 5 DDBDMO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)o1 ZINC000996429331 749587950 /nfs/dbraw/zinc/58/79/50/749587950.db2.gz PUSKZIHKIGMBPY-TZMCWYRMSA-N 1 1 322.365 1.037 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107321685 749798986 /nfs/dbraw/zinc/79/89/86/749798986.db2.gz JEZCSSBEIIXLJQ-PLNGDYQASA-N 1 1 321.381 1.416 20 5 DDBDMO CC(C)(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000673088 762077962 /nfs/dbraw/zinc/07/79/62/762077962.db2.gz DTXZMQFQMRIGHD-ZIAGYGMSSA-N 1 1 309.410 1.836 20 5 DDBDMO CC(C)(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673088 762077968 /nfs/dbraw/zinc/07/79/68/762077968.db2.gz DTXZMQFQMRIGHD-ZIAGYGMSSA-N 1 1 309.410 1.836 20 5 DDBDMO CC(C)(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673088 762077977 /nfs/dbraw/zinc/07/79/77/762077977.db2.gz DTXZMQFQMRIGHD-ZIAGYGMSSA-N 1 1 309.410 1.836 20 5 DDBDMO O=C(c1ccco1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007153 762174605 /nfs/dbraw/zinc/17/46/05/762174605.db2.gz LOHCKSDVOTZOBN-CHWSQXEVSA-N 1 1 307.350 1.483 20 5 DDBDMO CC(=O)N1CCCC[C@]12CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169030354 762186484 /nfs/dbraw/zinc/18/64/84/762186484.db2.gz YYQFHTZRXZOLFS-OWCLPIDISA-N 1 1 309.410 1.909 20 5 DDBDMO CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169052513 762208137 /nfs/dbraw/zinc/20/81/37/762208137.db2.gz GSFVCUQYRVUDRY-HZSPNIEDSA-N 1 1 312.414 1.604 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170343648 766276381 /nfs/dbraw/zinc/27/63/81/766276381.db2.gz WXPYGKSDLYSJKE-UHFFFAOYSA-N 1 1 302.294 1.172 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094008189 775324071 /nfs/dbraw/zinc/32/40/71/775324071.db2.gz HGTZQWMXBAKBOZ-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094639966 776161344 /nfs/dbraw/zinc/16/13/44/776161344.db2.gz KBGNTQQHBASUBZ-UHFFFAOYSA-N 1 1 323.397 1.638 20 5 DDBDMO COC(=O)[C@@H](CN)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901365 776915719 /nfs/dbraw/zinc/91/57/19/776915719.db2.gz MLFIQNNPCBLZCV-UONOGXRCSA-N 1 1 321.377 1.180 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001173222791 777056299 /nfs/dbraw/zinc/05/62/99/777056299.db2.gz VPBHAYCIMQMLMB-ODVANORSSA-N 1 1 320.389 1.998 20 5 DDBDMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001177515358 778631429 /nfs/dbraw/zinc/63/14/29/778631429.db2.gz PAYLZRVLPGXWRA-UHFFFAOYSA-N 1 1 324.358 1.989 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178857450 779213307 /nfs/dbraw/zinc/21/33/07/779213307.db2.gz VLERTWXNAUWGJQ-AWEZNQCLSA-N 1 1 321.377 1.820 20 5 DDBDMO Nc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC001117284246 780705409 /nfs/dbraw/zinc/70/54/09/780705409.db2.gz CDOMHAKUKYNOCS-GFCCVEGCSA-N 1 1 306.366 1.344 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001119948625 781693423 /nfs/dbraw/zinc/69/34/23/781693423.db2.gz QELVHAFMNDOANR-DGCLKSJQSA-N 1 1 305.382 1.781 20 5 DDBDMO CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001266827091 836891995 /nfs/dbraw/zinc/89/19/95/836891995.db2.gz IOCNUYLEHCSEDV-UHFFFAOYSA-N 1 1 308.382 1.095 20 5 DDBDMO CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001270844232 842951193 /nfs/dbraw/zinc/95/11/93/842951193.db2.gz ALVHGKFXRCDWBF-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975900 859506777 /nfs/dbraw/zinc/50/67/77/859506777.db2.gz GUSQVLAMRAVGBN-YWPYICTPSA-N 1 1 318.377 1.160 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nc(N)nc(N)[nH+]1 ZINC001162095605 867246849 /nfs/dbraw/zinc/24/68/49/867246849.db2.gz VSLHHTWKYGYUAO-UHFFFAOYSA-N 1 1 309.717 1.234 20 5 DDBDMO Nc1nc(NCC[C@H]2CC[NH2+]CC2(F)F)ccc1[N+](=O)[O-] ZINC001162811773 867846857 /nfs/dbraw/zinc/84/68/57/867846857.db2.gz FJBGAYGEVAJDBT-MRVPVSSYSA-N 1 1 301.297 1.619 20 5 DDBDMO COC(=O)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001335182475 868117270 /nfs/dbraw/zinc/11/72/70/868117270.db2.gz IMYZLPHGOKPDSV-AWEZNQCLSA-N 1 1 323.349 1.402 20 5 DDBDMO COC(=O)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001335182475 868117278 /nfs/dbraw/zinc/11/72/78/868117278.db2.gz IMYZLPHGOKPDSV-AWEZNQCLSA-N 1 1 323.349 1.402 20 5 DDBDMO COC(=O)/C=C/c1ccc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001164120551 868952780 /nfs/dbraw/zinc/95/27/80/868952780.db2.gz WVBPIMCMSALUMB-GQCTYLIASA-N 1 1 323.349 1.117 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC001226181084 882255807 /nfs/dbraw/zinc/25/58/07/882255807.db2.gz MISZHISXEXFTPU-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001336693782 869097223 /nfs/dbraw/zinc/09/72/23/869097223.db2.gz RWADVPQNDQVQRP-UHFFFAOYSA-N 1 1 321.299 1.974 20 5 DDBDMO COc1cccc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084764 869791404 /nfs/dbraw/zinc/79/14/04/869791404.db2.gz SFRITYOSQOMIAC-DGCLKSJQSA-N 1 1 308.382 1.650 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC001338464795 869993354 /nfs/dbraw/zinc/99/33/54/869993354.db2.gz QRRKFOLAYBPVNA-UBHSHLNASA-N 1 1 321.352 1.733 20 5 DDBDMO CN(CC1(C)COC1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166711277 870185013 /nfs/dbraw/zinc/18/50/13/870185013.db2.gz VSVCDPZYAPGTQB-AATRIKPKSA-N 1 1 306.366 1.995 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226431667 882426700 /nfs/dbraw/zinc/42/67/00/882426700.db2.gz QAKZBNILOSUARI-JTQLQIEISA-N 1 1 324.333 1.863 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c1 ZINC001307312917 871419723 /nfs/dbraw/zinc/41/97/23/871419723.db2.gz WTOSOGOLIBDPCF-LLVKDONJSA-N 1 1 324.337 1.928 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC001343190190 872527238 /nfs/dbraw/zinc/52/72/38/872527238.db2.gz YTIBGUFRTLMXOK-UHFFFAOYSA-N 1 1 310.379 1.565 20 5 DDBDMO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001348223684 874433668 /nfs/dbraw/zinc/43/36/68/874433668.db2.gz GCOXVLOSLVBQIX-HERUPUMHSA-N 1 1 305.334 1.370 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001348223684 874433673 /nfs/dbraw/zinc/43/36/73/874433673.db2.gz GCOXVLOSLVBQIX-HERUPUMHSA-N 1 1 305.334 1.370 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1C[C@@H]2CSC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001349907363 875447510 /nfs/dbraw/zinc/44/75/10/875447510.db2.gz DQDSGWZUOLJCSJ-RWSFTLGLSA-N 1 1 321.402 1.590 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001350089627 875530226 /nfs/dbraw/zinc/53/02/26/875530226.db2.gz VSHCNEHRKXSEJC-QEJZJMRPSA-N 1 1 303.362 1.594 20 5 DDBDMO Cc1nc(N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)ncc1[N+](=O)[O-] ZINC001353016540 877070502 /nfs/dbraw/zinc/07/05/02/877070502.db2.gz DQIMMBYPVMVPMI-STQMWFEESA-N 1 1 321.381 1.604 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC001353381032 877291151 /nfs/dbraw/zinc/29/11/51/877291151.db2.gz VCZPPKUIGIVHSD-OBJOEFQTSA-N 1 1 321.352 1.733 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CO[C@H](C)C[NH+]1CCOCC1 ZINC001223103607 880831332 /nfs/dbraw/zinc/83/13/32/880831332.db2.gz CXDWMJKQVAGEPP-GFCCVEGCSA-N 1 1 310.350 1.841 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCC[N@@H+](C)C1 ZINC001223449783 880967320 /nfs/dbraw/zinc/96/73/20/880967320.db2.gz GWXQBQGLCCMOPE-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc(Cl)nc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230879313 884999331 /nfs/dbraw/zinc/99/93/31/884999331.db2.gz NQVRJDWLSDWVFR-NMLBEHRDSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ccc(Cl)nc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230879313 884999349 /nfs/dbraw/zinc/99/93/49/884999349.db2.gz NQVRJDWLSDWVFR-NMLBEHRDSA-N 1 1 311.725 1.826 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602838 896528445 /nfs/dbraw/zinc/52/84/45/896528445.db2.gz JDANSAISMCNIDG-GJZGRUSLSA-N 1 1 303.362 1.615 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](n3ccnn3)C1)C2 ZINC001254610587 896531095 /nfs/dbraw/zinc/53/10/95/896531095.db2.gz LHJAHDMAQCYOQT-JKSUJKDBSA-N 1 1 313.361 1.991 20 5 DDBDMO O=[N+]([O-])c1sccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001262724838 900336968 /nfs/dbraw/zinc/33/69/68/900336968.db2.gz GURHZQBEQZXARX-GXFFZTMASA-N 1 1 313.379 1.294 20 5 DDBDMO O=[N+]([O-])c1sccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001262724838 900336975 /nfs/dbraw/zinc/33/69/75/900336975.db2.gz GURHZQBEQZXARX-GXFFZTMASA-N 1 1 313.379 1.294 20 5 DDBDMO CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286540217 219044155 /nfs/dbraw/zinc/04/41/55/219044155.db2.gz ZFVXVWOBPAQQBE-FUNVUKJBSA-N 1 1 318.377 1.755 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249002296 282125868 /nfs/dbraw/zinc/12/58/68/282125868.db2.gz YYGXMRRHQPYISJ-DYEKYZERSA-N 1 1 310.350 1.037 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000451155093 529381618 /nfs/dbraw/zinc/38/16/18/529381618.db2.gz ALBPEHQJIQOODX-LLVKDONJSA-N 1 1 323.349 1.596 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452133112 231316258 /nfs/dbraw/zinc/31/62/58/231316258.db2.gz RNMQEQXCAAPJPH-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295806358 529504178 /nfs/dbraw/zinc/50/41/78/529504178.db2.gz WKWJCSZBFQOOTH-JTQLQIEISA-N 1 1 313.329 1.765 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090009592 185276815 /nfs/dbraw/zinc/27/68/15/185276815.db2.gz KBSJGODASNMMGR-GDBMZVCRSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090009592 185276816 /nfs/dbraw/zinc/27/68/16/185276816.db2.gz KBSJGODASNMMGR-GDBMZVCRSA-N 1 1 322.361 1.445 20 5 DDBDMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554112 529880024 /nfs/dbraw/zinc/88/00/24/529880024.db2.gz ZHMXVQSFMLUHTA-LBPRGKRZSA-N 1 1 320.349 1.230 20 5 DDBDMO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554112 529880025 /nfs/dbraw/zinc/88/00/25/529880025.db2.gz ZHMXVQSFMLUHTA-LBPRGKRZSA-N 1 1 320.349 1.230 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000108339287 185507203 /nfs/dbraw/zinc/50/72/03/185507203.db2.gz JKWZVHJSGZOIHU-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO COc1cc(C[NH2+]C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000616487294 362721490 /nfs/dbraw/zinc/72/14/90/362721490.db2.gz PZDBZHNQVAQMTR-LLVKDONJSA-N 1 1 324.255 1.625 20 5 DDBDMO CNC(=O)[C@@H](CCSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342301325 282545371 /nfs/dbraw/zinc/54/53/71/282545371.db2.gz XWRPMPAFYVYFTC-GFCCVEGCSA-N 1 1 315.370 1.691 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000358406306 299143841 /nfs/dbraw/zinc/14/38/41/299143841.db2.gz CWWGJYUZEAZYNL-LLVKDONJSA-N 1 1 307.325 1.629 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748436 215111417 /nfs/dbraw/zinc/11/14/17/215111417.db2.gz LEEKUTLAUHXQLY-FZMZJTMJSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748436 215111420 /nfs/dbraw/zinc/11/14/20/215111420.db2.gz LEEKUTLAUHXQLY-FZMZJTMJSA-N 1 1 321.377 1.933 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272606282 210004620 /nfs/dbraw/zinc/00/46/20/210004620.db2.gz JRFRMVBCCCPRSP-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000564644025 304005791 /nfs/dbraw/zinc/00/57/91/304005791.db2.gz KKLIKORSSRBBFK-CQSZACIVSA-N 1 1 310.329 1.438 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358466567 299162222 /nfs/dbraw/zinc/16/22/22/299162222.db2.gz XROBKILXXXNTNF-OAHLLOKOSA-N 1 1 322.365 1.400 20 5 DDBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287101220 219314348 /nfs/dbraw/zinc/31/43/48/219314348.db2.gz XTVTYGGCSSRBAB-NSHDSACASA-N 1 1 311.342 1.002 20 5 DDBDMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000601228593 358456113 /nfs/dbraw/zinc/45/61/13/358456113.db2.gz PTENOFXBZLEVRB-UHFFFAOYSA-N 1 1 320.349 1.086 20 5 DDBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000601228593 358456116 /nfs/dbraw/zinc/45/61/16/358456116.db2.gz PTENOFXBZLEVRB-UHFFFAOYSA-N 1 1 320.349 1.086 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H](C)O ZINC000159546821 186126185 /nfs/dbraw/zinc/12/61/85/186126185.db2.gz DMASRMZUCHSRBC-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO Cc1ccnc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000265146243 186340078 /nfs/dbraw/zinc/34/00/78/186340078.db2.gz ABOSTBCAKNVYCO-LLVKDONJSA-N 1 1 307.354 1.050 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287204790 219378773 /nfs/dbraw/zinc/37/87/73/219378773.db2.gz DRULXQAALMMHOK-GFCCVEGCSA-N 1 1 309.366 1.650 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000601251247 358463905 /nfs/dbraw/zinc/46/39/05/358463905.db2.gz YGYKJCHRJYDYKP-UONOGXRCSA-N 1 1 305.378 1.984 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000027214974 352215393 /nfs/dbraw/zinc/21/53/93/352215393.db2.gz JZAPKESIJOEODJ-AWEZNQCLSA-N 1 1 320.349 1.200 20 5 DDBDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000044521419 352387522 /nfs/dbraw/zinc/38/75/22/352387522.db2.gz FNIXITJXMUASFJ-RYUDHWBXSA-N 1 1 313.423 1.129 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000067360815 353045518 /nfs/dbraw/zinc/04/55/18/353045518.db2.gz KPTBXFIEPGQNKN-XHSDSOJGSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000067360815 353045519 /nfs/dbraw/zinc/04/55/19/353045519.db2.gz KPTBXFIEPGQNKN-XHSDSOJGSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000067360815 353045520 /nfs/dbraw/zinc/04/55/20/353045520.db2.gz KPTBXFIEPGQNKN-XHSDSOJGSA-N 1 1 317.389 1.823 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068433597 353111461 /nfs/dbraw/zinc/11/14/61/353111461.db2.gz SVWVAVAVAQDNFU-NSHDSACASA-N 1 1 320.353 1.139 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000174285266 198314373 /nfs/dbraw/zinc/31/43/73/198314373.db2.gz FRZJXCDJLKYKBR-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000075640528 353373413 /nfs/dbraw/zinc/37/34/13/353373413.db2.gz YZVOIEBLZPHMMN-QWHCGFSZSA-N 1 1 321.337 1.286 20 5 DDBDMO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000080127674 353592575 /nfs/dbraw/zinc/59/25/75/353592575.db2.gz UNFDVFSHWBCPIZ-CYBMUJFWSA-N 1 1 320.393 1.489 20 5 DDBDMO Cc1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000080599957 353617363 /nfs/dbraw/zinc/61/73/63/353617363.db2.gz QHVIKIQRMXZTST-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000093333332 353895955 /nfs/dbraw/zinc/89/59/55/353895955.db2.gz RBIXKICKSSNGLK-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000093333332 353895956 /nfs/dbraw/zinc/89/59/56/353895956.db2.gz RBIXKICKSSNGLK-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817326 353905866 /nfs/dbraw/zinc/90/58/66/353905866.db2.gz VNMNNKDNQAUPFY-ZDUSSCGKSA-N 1 1 321.377 1.455 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000093583316 353902704 /nfs/dbraw/zinc/90/27/04/353902704.db2.gz DBXZYOZVTUAGHG-HNNXBMFYSA-N 1 1 323.393 1.028 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739776 354201238 /nfs/dbraw/zinc/20/12/38/354201238.db2.gz DYOOXXGQBNOPRR-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000153739776 354201240 /nfs/dbraw/zinc/20/12/40/354201240.db2.gz DYOOXXGQBNOPRR-SMDDNHRTSA-N 1 1 322.365 1.744 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000314064296 354482949 /nfs/dbraw/zinc/48/29/49/354482949.db2.gz RQMLMKIHLJVJPA-LLVKDONJSA-N 1 1 307.350 1.288 20 5 DDBDMO CCOc1cc(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000585783577 354842200 /nfs/dbraw/zinc/84/22/00/354842200.db2.gz BDAHJNKVCRXLMR-LSDHHAIUSA-N 1 1 321.377 1.903 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501395 354996847 /nfs/dbraw/zinc/99/68/47/354996847.db2.gz MCZJCTLCURQFCA-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501395 354996851 /nfs/dbraw/zinc/99/68/51/354996851.db2.gz MCZJCTLCURQFCA-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000590631951 355135010 /nfs/dbraw/zinc/13/50/10/355135010.db2.gz LCDCKRZXBDGCBG-SECBINFHSA-N 1 1 311.313 1.567 20 5 DDBDMO CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000592833239 355708028 /nfs/dbraw/zinc/70/80/28/355708028.db2.gz XKDAVOJZALXMDM-AWEZNQCLSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593413592 355877868 /nfs/dbraw/zinc/87/78/68/355877868.db2.gz FFJUYHNPRHVWTG-UHFFFAOYSA-N 1 1 320.324 1.988 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@]3(O)CCCOC3)C2)cc1 ZINC000594714281 356294019 /nfs/dbraw/zinc/29/40/19/356294019.db2.gz LXXXJDYRGOSXQL-HNNXBMFYSA-N 1 1 308.334 1.199 20 5 DDBDMO Cc1noc(C[N@H+](CCO)CCc2ccccc2)c1[N+](=O)[O-] ZINC000595317198 356446468 /nfs/dbraw/zinc/44/64/68/356446468.db2.gz FVTUMHUKNNSIEO-UHFFFAOYSA-N 1 1 305.334 1.928 20 5 DDBDMO Cc1noc(C[N@@H+](CCO)CCc2ccccc2)c1[N+](=O)[O-] ZINC000595317198 356446474 /nfs/dbraw/zinc/44/64/74/356446474.db2.gz FVTUMHUKNNSIEO-UHFFFAOYSA-N 1 1 305.334 1.928 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000081519135 192277904 /nfs/dbraw/zinc/27/79/04/192277904.db2.gz ZIRMKDXYAXURSF-ZFWWWQNUSA-N 1 1 324.377 1.693 20 5 DDBDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081520576 192278884 /nfs/dbraw/zinc/27/88/84/192278884.db2.gz ZTFPTVMSBNNCOZ-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081520576 192278885 /nfs/dbraw/zinc/27/88/85/192278885.db2.gz ZTFPTVMSBNNCOZ-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081556683 192290824 /nfs/dbraw/zinc/29/08/24/192290824.db2.gz XESUDVFLGSKCDT-QWRGUYRKSA-N 1 1 322.365 1.236 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757043 356638796 /nfs/dbraw/zinc/63/87/96/356638796.db2.gz LJOBUPVWQCGXJP-ZIBATOQPSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757043 356638801 /nfs/dbraw/zinc/63/88/01/356638801.db2.gz LJOBUPVWQCGXJP-ZIBATOQPSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760625 356642028 /nfs/dbraw/zinc/64/20/28/356642028.db2.gz UWYPFBDHFMEFMV-XJKSGUPXSA-N 1 1 320.345 1.930 20 5 DDBDMO O=C(CC[N@H+]1CCC2(COC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595833518 356670167 /nfs/dbraw/zinc/67/01/67/356670167.db2.gz LWTVIDGPZAOUDH-UHFFFAOYSA-N 1 1 305.334 1.646 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829512 356666657 /nfs/dbraw/zinc/66/66/57/356666657.db2.gz IGDDJANBBURVBU-OLZOCXBDSA-N 1 1 319.361 1.526 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H]2COC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595828155 356666846 /nfs/dbraw/zinc/66/68/46/356666846.db2.gz UVRPHTWSXSOHRE-QWHCGFSZSA-N 1 1 319.361 1.892 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595877534 356688635 /nfs/dbraw/zinc/68/86/35/356688635.db2.gz UYMUJAUPTGUPTE-LRDDRELGSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595877534 356688638 /nfs/dbraw/zinc/68/86/38/356688638.db2.gz UYMUJAUPTGUPTE-LRDDRELGSA-N 1 1 321.377 1.792 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864794 356682851 /nfs/dbraw/zinc/68/28/51/356682851.db2.gz COPPYBRTINYIRR-ZDUSSCGKSA-N 1 1 323.368 1.765 20 5 DDBDMO CCOc1cc(C[N@@H+](C)C[C@H](C)C(=O)NC)ccc1[N+](=O)[O-] ZINC000276914505 213173158 /nfs/dbraw/zinc/17/31/58/213173158.db2.gz NZJXXQAJMTUHCX-NSHDSACASA-N 1 1 309.366 1.807 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CCCOCC3)CC2)nc1 ZINC000596268650 356838709 /nfs/dbraw/zinc/83/87/09/356838709.db2.gz NPJUGDNEVDTDMK-UHFFFAOYSA-N 1 1 307.354 1.076 20 5 DDBDMO Cc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538585 356911246 /nfs/dbraw/zinc/91/12/46/356911246.db2.gz MKUYIJPVJBPUKU-HNNXBMFYSA-N 1 1 305.378 1.939 20 5 DDBDMO Nc1c(F)c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538492 356911454 /nfs/dbraw/zinc/91/14/54/356911454.db2.gz LFRPZLWVTAJDFK-LLVKDONJSA-N 1 1 324.356 1.352 20 5 DDBDMO C[NH2+]C[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237258409 202208031 /nfs/dbraw/zinc/20/80/31/202208031.db2.gz YEQZPKHDFGSMRS-SNVBAGLBSA-N 1 1 303.322 1.295 20 5 DDBDMO C[NH+]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094835 357059155 /nfs/dbraw/zinc/05/91/55/357059155.db2.gz SRSVQNHAKVQDOE-UHFFFAOYSA-N 1 1 313.745 1.610 20 5 DDBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 ZINC000597716644 357300138 /nfs/dbraw/zinc/30/01/38/357300138.db2.gz RAJXVZFYIVNQSF-INIZCTEOSA-N 1 1 318.377 1.735 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597857683 357359895 /nfs/dbraw/zinc/35/98/95/357359895.db2.gz IWXXRGVXQHZTPO-SNVBAGLBSA-N 1 1 308.338 1.298 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597924824 357384462 /nfs/dbraw/zinc/38/44/62/357384462.db2.gz LDARTJPONZYGMO-GFCCVEGCSA-N 1 1 323.397 1.479 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597926259 357385253 /nfs/dbraw/zinc/38/52/53/357385253.db2.gz WYGICCFJOROFKG-NSHDSACASA-N 1 1 306.366 1.901 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598747073 357713815 /nfs/dbraw/zinc/71/38/15/357713815.db2.gz VLLRTFUFDZCMRX-VIFPVBQESA-N 1 1 308.338 1.298 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598714064 357700788 /nfs/dbraw/zinc/70/07/88/357700788.db2.gz FIOWTXGWDFOTGB-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c(Cl)c1 ZINC000599531116 357964738 /nfs/dbraw/zinc/96/47/38/357964738.db2.gz IXHCRSNTSNJYPH-QWRGUYRKSA-N 1 1 300.742 1.281 20 5 DDBDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599621812 357995118 /nfs/dbraw/zinc/99/51/18/357995118.db2.gz GMMIYEWWQGWWLA-SNVBAGLBSA-N 1 1 301.293 1.876 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227489 358162515 /nfs/dbraw/zinc/16/25/15/358162515.db2.gz DBHRLEXFSZGEKG-LBPRGKRZSA-N 1 1 321.381 1.763 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137121 358416886 /nfs/dbraw/zinc/41/68/86/358416886.db2.gz TVBJAUHYINMSQL-YUMQZZPRSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137121 358416888 /nfs/dbraw/zinc/41/68/88/358416888.db2.gz TVBJAUHYINMSQL-YUMQZZPRSA-N 1 1 321.303 1.876 20 5 DDBDMO CN(C)C(=O)NCCN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136466 358416911 /nfs/dbraw/zinc/41/69/11/358416911.db2.gz FELYYWGEZIMWFY-UHFFFAOYSA-N 1 1 317.349 1.850 20 5 DDBDMO C[C@H](O)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601176306 358434879 /nfs/dbraw/zinc/43/48/79/358434879.db2.gz USUQYTQOSAPINB-BONVTDFDSA-N 1 1 303.318 1.729 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181139005 199256627 /nfs/dbraw/zinc/25/66/27/199256627.db2.gz WVDVXQVBYOHAPU-LBPRGKRZSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CN1CCN(C)CC1 ZINC000602541898 359035204 /nfs/dbraw/zinc/03/52/04/359035204.db2.gz SBSBZPXZGAVSIR-HNNXBMFYSA-N 1 1 320.437 1.610 20 5 DDBDMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CN(C)CCO1 ZINC000602575403 359051382 /nfs/dbraw/zinc/05/13/82/359051382.db2.gz HJBNSAKSFUQUQE-YGRLFVJLSA-N 1 1 320.349 1.545 20 5 DDBDMO CN(C)C(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602592383 359059894 /nfs/dbraw/zinc/05/98/94/359059894.db2.gz DUMNFSXJYJZDDY-UHFFFAOYSA-N 1 1 322.184 1.597 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000602839424 359228785 /nfs/dbraw/zinc/22/87/85/359228785.db2.gz FCSRCNHHCRCBDT-UHFFFAOYSA-N 1 1 320.397 1.991 20 5 DDBDMO CS[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602797268 359198955 /nfs/dbraw/zinc/19/89/55/359198955.db2.gz IBPQQAYJLGVXTI-NEPJUHHUSA-N 1 1 313.427 1.077 20 5 DDBDMO CS[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000602797268 359198960 /nfs/dbraw/zinc/19/89/60/359198960.db2.gz IBPQQAYJLGVXTI-NEPJUHHUSA-N 1 1 313.427 1.077 20 5 DDBDMO COC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(C)o1 ZINC000602808695 359205615 /nfs/dbraw/zinc/20/56/15/359205615.db2.gz YUJRQOCGRWJSDJ-GFCCVEGCSA-N 1 1 308.338 1.978 20 5 DDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C(C)(C)C ZINC000602873790 359257118 /nfs/dbraw/zinc/25/71/18/359257118.db2.gz LICVFUASNVVYBI-CQSZACIVSA-N 1 1 322.409 1.419 20 5 DDBDMO Cn1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430799 359635653 /nfs/dbraw/zinc/63/56/53/359635653.db2.gz VAIXNJCVJXTNOS-BFHYXJOUSA-N 1 1 323.397 1.189 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000187123629 200064820 /nfs/dbraw/zinc/06/48/20/200064820.db2.gz VWIIABPBVOHXGG-MWLCHTKSSA-N 1 1 308.338 1.250 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(CC)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000188956483 200326830 /nfs/dbraw/zinc/32/68/30/200326830.db2.gz DDYJPWPGYBNOBO-UHFFFAOYSA-N 1 1 311.386 1.684 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609797419 360350981 /nfs/dbraw/zinc/35/09/81/360350981.db2.gz ZLKBVHZKVKHWFZ-AWEZNQCLSA-N 1 1 305.382 1.206 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610504990 360455364 /nfs/dbraw/zinc/45/53/64/360455364.db2.gz PSJITOCUXNSNOU-GJZGRUSLSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610504990 360455369 /nfs/dbraw/zinc/45/53/69/360455369.db2.gz PSJITOCUXNSNOU-GJZGRUSLSA-N 1 1 320.324 1.738 20 5 DDBDMO CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611258805 360680566 /nfs/dbraw/zinc/68/05/66/360680566.db2.gz OOSOTWZSHYFJNR-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611258805 360680568 /nfs/dbraw/zinc/68/05/68/360680568.db2.gz OOSOTWZSHYFJNR-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273136 360686944 /nfs/dbraw/zinc/68/69/44/360686944.db2.gz ZXUJJOKANWSGCQ-HNNXBMFYSA-N 1 1 308.334 1.713 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611273136 360686947 /nfs/dbraw/zinc/68/69/47/360686947.db2.gz ZXUJJOKANWSGCQ-HNNXBMFYSA-N 1 1 308.334 1.713 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201348 360657623 /nfs/dbraw/zinc/65/76/23/360657623.db2.gz UAPCPWTVCHOIQV-DOMZBBRYSA-N 1 1 318.377 1.162 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c2c(c1)COCO2 ZINC000612134113 360928332 /nfs/dbraw/zinc/92/83/32/360928332.db2.gz GSJRKLHXOVSRQX-COLVAYQJSA-N 1 1 320.345 1.664 20 5 DDBDMO O=C(C[N@H+]1CC[C@H](O)C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000292708133 223210981 /nfs/dbraw/zinc/21/09/81/223210981.db2.gz LGJROIAMPJQDQT-AWEZNQCLSA-N 1 1 319.361 1.913 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000292708133 223210984 /nfs/dbraw/zinc/21/09/84/223210984.db2.gz LGJROIAMPJQDQT-AWEZNQCLSA-N 1 1 319.361 1.913 20 5 DDBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000193567027 201076367 /nfs/dbraw/zinc/07/63/67/201076367.db2.gz CHLSMWBPIZPQFM-ZANVPECISA-N 1 1 321.333 1.076 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868831 363780230 /nfs/dbraw/zinc/78/02/30/363780230.db2.gz KPWCOCQJMMVFRT-CYBMUJFWSA-N 1 1 321.381 1.439 20 5 DDBDMO CNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193649026 201095042 /nfs/dbraw/zinc/09/50/42/201095042.db2.gz SPZIKOHFMRAPBG-UHFFFAOYSA-N 1 1 322.321 1.461 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516994 364047798 /nfs/dbraw/zinc/04/77/98/364047798.db2.gz SRJUTHBBAUVZFU-ZWNOBZJWSA-N 1 1 321.333 1.708 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619516994 364047802 /nfs/dbraw/zinc/04/78/02/364047802.db2.gz SRJUTHBBAUVZFU-ZWNOBZJWSA-N 1 1 321.333 1.708 20 5 DDBDMO C[N@H+](CCCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000349935563 284110645 /nfs/dbraw/zinc/11/06/45/284110645.db2.gz NXIUKSWZIYYRJI-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO C[N@@H+](CCCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000349935563 284110647 /nfs/dbraw/zinc/11/06/47/284110647.db2.gz NXIUKSWZIYYRJI-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO C[C@H](c1cccnc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000093228079 193219051 /nfs/dbraw/zinc/21/90/51/193219051.db2.gz DOUOGPNHURWRFK-GFCCVEGCSA-N 1 1 302.334 1.845 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000264671174 204066437 /nfs/dbraw/zinc/06/64/37/204066437.db2.gz YKVUFCCVKGCPLV-NSHDSACASA-N 1 1 306.366 1.342 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264763363 204138493 /nfs/dbraw/zinc/13/84/93/204138493.db2.gz MWVPVVXMRUVCBE-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000271723584 209157244 /nfs/dbraw/zinc/15/72/44/209157244.db2.gz RYROYRSNKPLISA-GFCCVEGCSA-N 1 1 322.365 1.372 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000271723584 209157247 /nfs/dbraw/zinc/15/72/47/209157247.db2.gz RYROYRSNKPLISA-GFCCVEGCSA-N 1 1 322.365 1.372 20 5 DDBDMO CC(C)Oc1nc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000566808049 304183074 /nfs/dbraw/zinc/18/30/74/304183074.db2.gz ZFJXXYJULHHHJX-UHFFFAOYSA-N 1 1 324.381 1.281 20 5 DDBDMO Cc1cnc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000267478080 206096946 /nfs/dbraw/zinc/09/69/46/206096946.db2.gz ZZNPUDRDFVJMGI-UHFFFAOYSA-N 1 1 322.394 1.378 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334075898 249206051 /nfs/dbraw/zinc/20/60/51/249206051.db2.gz CRUROQPVJLBCGG-QWRGUYRKSA-N 1 1 307.350 1.816 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268245212 206574986 /nfs/dbraw/zinc/57/49/86/206574986.db2.gz VYBAKZSZCWKZTC-CABZTGNLSA-N 1 1 321.381 1.483 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000104970161 194060206 /nfs/dbraw/zinc/06/02/06/194060206.db2.gz LBEMAIGDMBVNOY-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000411476558 223856726 /nfs/dbraw/zinc/85/67/26/223856726.db2.gz BXFANZRKSKCEJC-VXGBXAGGSA-N 1 1 307.350 1.541 20 5 DDBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285077622 218282377 /nfs/dbraw/zinc/28/23/77/218282377.db2.gz RUCPQXRSHYCBEH-LLVKDONJSA-N 1 1 319.321 1.478 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285354056 218393297 /nfs/dbraw/zinc/39/32/97/218393297.db2.gz PVNISZSBGHKUIP-INIZCTEOSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000285354056 218393299 /nfs/dbraw/zinc/39/32/99/218393299.db2.gz PVNISZSBGHKUIP-INIZCTEOSA-N 1 1 322.361 1.855 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057712000 184048544 /nfs/dbraw/zinc/04/85/44/184048544.db2.gz JNVXCUSLWFWLCT-SECBINFHSA-N 1 1 322.321 1.716 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269104747 207243735 /nfs/dbraw/zinc/24/37/35/207243735.db2.gz BLXKJRCGHSHNLZ-NEPJUHHUSA-N 1 1 321.381 1.193 20 5 DDBDMO C[NH+](C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOCC1 ZINC000269169631 207291689 /nfs/dbraw/zinc/29/16/89/207291689.db2.gz HFCRZVRIPOXBFN-UHFFFAOYSA-N 1 1 323.349 1.141 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000486955871 285106945 /nfs/dbraw/zinc/10/69/45/285106945.db2.gz MDKIUHFPLHVWCB-ZDUSSCGKSA-N 1 1 315.333 1.929 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288614038 220290425 /nfs/dbraw/zinc/29/04/25/220290425.db2.gz XHIYPXYBKWDFDG-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000272994087 210373188 /nfs/dbraw/zinc/37/31/88/210373188.db2.gz QJPWEGMZMBLCHK-SNVBAGLBSA-N 1 1 321.381 1.651 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000272969448 210352397 /nfs/dbraw/zinc/35/23/97/210352397.db2.gz BETPXVWPUCPMJR-UONOGXRCSA-N 1 1 324.377 1.835 20 5 DDBDMO CN(CC1CC1)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545012 285130171 /nfs/dbraw/zinc/13/01/71/285130171.db2.gz UTLXKDHLLDSMHA-UHFFFAOYSA-N 1 1 305.378 1.938 20 5 DDBDMO CN(CC1CC1)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545012 285130173 /nfs/dbraw/zinc/13/01/73/285130173.db2.gz UTLXKDHLLDSMHA-UHFFFAOYSA-N 1 1 305.378 1.938 20 5 DDBDMO C[N@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC[C@@H]1O ZINC000352668259 285211199 /nfs/dbraw/zinc/21/11/99/285211199.db2.gz QQJFICOFDACSCV-KFWWJZLASA-N 1 1 319.361 1.545 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783090 221222698 /nfs/dbraw/zinc/22/26/98/221222698.db2.gz LVOHORSOVGMZFO-ONGXEEELSA-N 1 1 304.297 1.129 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299435448 533665584 /nfs/dbraw/zinc/66/55/84/533665584.db2.gz GXEJNFBXRKWARZ-LLVKDONJSA-N 1 1 323.397 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1C ZINC000054371044 291992275 /nfs/dbraw/zinc/99/22/75/291992275.db2.gz SZVGLQHGXZIALG-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@@H](C)C1 ZINC000568411612 304292423 /nfs/dbraw/zinc/29/24/23/304292423.db2.gz WGLXCJUVSLFVJF-PHIMTYICSA-N 1 1 321.381 1.586 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)CC1 ZINC000071955886 406870506 /nfs/dbraw/zinc/87/05/06/406870506.db2.gz BFUSLIQCKUQGRC-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000101727188 407315017 /nfs/dbraw/zinc/31/50/17/407315017.db2.gz JYWNFYRVJQDSAI-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000101727188 407315018 /nfs/dbraw/zinc/31/50/18/407315018.db2.gz JYWNFYRVJQDSAI-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123564729 407332694 /nfs/dbraw/zinc/33/26/94/407332694.db2.gz GJSITHFXAWWXOF-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000105612116 407354950 /nfs/dbraw/zinc/35/49/50/407354950.db2.gz NDGJYZRCLCWWTE-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000109331386 407397871 /nfs/dbraw/zinc/39/78/71/407397871.db2.gz YURJKWJLLUUQOS-ZDUSSCGKSA-N 1 1 322.365 1.331 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271075376 407503441 /nfs/dbraw/zinc/50/34/41/407503441.db2.gz GQCPYZXXGJRMEK-JTQLQIEISA-N 1 1 324.333 1.607 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271075376 407503446 /nfs/dbraw/zinc/50/34/46/407503446.db2.gz GQCPYZXXGJRMEK-JTQLQIEISA-N 1 1 324.333 1.607 20 5 DDBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCC1 ZINC000266617664 407579714 /nfs/dbraw/zinc/57/97/14/407579714.db2.gz YLPFBWWBKSVLRS-UHFFFAOYSA-N 1 1 319.361 1.670 20 5 DDBDMO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000128241517 407513612 /nfs/dbraw/zinc/51/36/12/407513612.db2.gz DHEOLCPTHUYDRB-ZYHUDNBSSA-N 1 1 303.322 1.471 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178780323 407599230 /nfs/dbraw/zinc/59/92/30/407599230.db2.gz FHUVDBOOGVKANM-IUODEOHRSA-N 1 1 319.361 1.668 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000152327503 407611658 /nfs/dbraw/zinc/61/16/58/407611658.db2.gz ZVVCXZNXDOLNSV-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152615024 407660668 /nfs/dbraw/zinc/66/06/68/407660668.db2.gz OLIPCNNFLYFPHV-NSHDSACASA-N 1 1 309.341 1.687 20 5 DDBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261729546 407592723 /nfs/dbraw/zinc/59/27/23/407592723.db2.gz HOENHBNUUQHUBQ-GXSJLCMTSA-N 1 1 317.349 1.671 20 5 DDBDMO CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)c2ccc[nH+]c21 ZINC000272281752 407846878 /nfs/dbraw/zinc/84/68/78/407846878.db2.gz QNBYKRYSNZHUAS-UHFFFAOYSA-N 1 1 315.333 1.108 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216220 407951449 /nfs/dbraw/zinc/95/14/49/407951449.db2.gz PNXGBLYEUFLPCL-JOYOIKCWSA-N 1 1 304.350 1.390 20 5 DDBDMO Cc1c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000174714733 407982448 /nfs/dbraw/zinc/98/24/48/407982448.db2.gz VZRGYHJDBASIKZ-UHFFFAOYSA-N 1 1 320.437 1.973 20 5 DDBDMO Cc1c(C[N@H+](C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000174714733 407982459 /nfs/dbraw/zinc/98/24/59/407982459.db2.gz VZRGYHJDBASIKZ-UHFFFAOYSA-N 1 1 320.437 1.973 20 5 DDBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)C(F)(F)F ZINC000189476119 408029430 /nfs/dbraw/zinc/02/94/30/408029430.db2.gz BUADHIKBPRBBMN-JTQLQIEISA-N 1 1 323.271 1.002 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)C(F)(F)F ZINC000189476119 408029434 /nfs/dbraw/zinc/02/94/34/408029434.db2.gz BUADHIKBPRBBMN-JTQLQIEISA-N 1 1 323.271 1.002 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135613783 408041621 /nfs/dbraw/zinc/04/16/21/408041621.db2.gz MLAUBACBTUWCLV-UHFFFAOYSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000135613783 408041629 /nfs/dbraw/zinc/04/16/29/408041629.db2.gz MLAUBACBTUWCLV-UHFFFAOYSA-N 1 1 322.361 1.855 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591209 407997651 /nfs/dbraw/zinc/99/76/51/407997651.db2.gz PMDGNDQFXFRXSX-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591209 407997657 /nfs/dbraw/zinc/99/76/57/407997657.db2.gz PMDGNDQFXFRXSX-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672219 408009320 /nfs/dbraw/zinc/00/93/20/408009320.db2.gz TYOQGPOYXPPVKK-QWRGUYRKSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672219 408009327 /nfs/dbraw/zinc/00/93/27/408009327.db2.gz TYOQGPOYXPPVKK-QWRGUYRKSA-N 1 1 321.381 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272672219 408009333 /nfs/dbraw/zinc/00/93/33/408009333.db2.gz TYOQGPOYXPPVKK-QWRGUYRKSA-N 1 1 321.381 1.608 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000245750654 408060480 /nfs/dbraw/zinc/06/04/80/408060480.db2.gz TYMIEASKASKGFI-DGCLKSJQSA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000273138610 408076703 /nfs/dbraw/zinc/07/67/03/408076703.db2.gz DIUHYVKXVPUMPY-GHMZBOCLSA-N 1 1 309.370 1.685 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000121246408 408171124 /nfs/dbraw/zinc/17/11/24/408171124.db2.gz JFAWDLMMMDJZQS-WFASDCNBSA-N 1 1 305.378 1.936 20 5 DDBDMO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000151105422 408256107 /nfs/dbraw/zinc/25/61/07/408256107.db2.gz AKIAJQADTDQWAD-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+](C)C1 ZINC000151105422 408256120 /nfs/dbraw/zinc/25/61/20/408256120.db2.gz AKIAJQADTDQWAD-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263682052 408203791 /nfs/dbraw/zinc/20/37/91/408203791.db2.gz FOZPCMUDMVCLIR-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000263711206 408216991 /nfs/dbraw/zinc/21/69/91/408216991.db2.gz NECWVKLFSBMANW-VIFPVBQESA-N 1 1 307.306 1.604 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000263711206 408216995 /nfs/dbraw/zinc/21/69/95/408216995.db2.gz NECWVKLFSBMANW-VIFPVBQESA-N 1 1 307.306 1.604 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246371195 408234782 /nfs/dbraw/zinc/23/47/82/408234782.db2.gz LVUMSQJTJSQXSU-GHMZBOCLSA-N 1 1 323.349 1.663 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000176193088 408304189 /nfs/dbraw/zinc/30/41/89/408304189.db2.gz HZWQZNBVONPQKD-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183220987 408358153 /nfs/dbraw/zinc/35/81/53/408358153.db2.gz RSAYSIBWSYZCBR-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183220987 408358163 /nfs/dbraw/zinc/35/81/63/408358163.db2.gz RSAYSIBWSYZCBR-WDEREUQCSA-N 1 1 323.349 1.245 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000274505625 408432668 /nfs/dbraw/zinc/43/26/68/408432668.db2.gz PZGDAKWDDVMJFT-GFCCVEGCSA-N 1 1 306.366 1.780 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000264477034 408507728 /nfs/dbraw/zinc/50/77/28/408507728.db2.gz HFHMAWUWEDMDIC-GFCCVEGCSA-N 1 1 323.349 1.054 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](OCCO)C3)nc2c1 ZINC000177079050 408513111 /nfs/dbraw/zinc/51/31/11/408513111.db2.gz PTPUEOAHFGCKQX-GFCCVEGCSA-N 1 1 321.333 1.709 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](OCCO)C3)nc2c1 ZINC000177079050 408513115 /nfs/dbraw/zinc/51/31/15/408513115.db2.gz PTPUEOAHFGCKQX-GFCCVEGCSA-N 1 1 321.333 1.709 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000275432670 408587446 /nfs/dbraw/zinc/58/74/46/408587446.db2.gz FABGEWJWSNHHFD-GFCCVEGCSA-N 1 1 323.393 1.885 20 5 DDBDMO Cc1ccc(NCCCNC(=O)[C@H]2CSC[NH2+]2)c([N+](=O)[O-])c1 ZINC000161541186 408613165 /nfs/dbraw/zinc/61/31/65/408613165.db2.gz ZCHKUMGFPPXHED-GFCCVEGCSA-N 1 1 324.406 1.484 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000270882010 408725727 /nfs/dbraw/zinc/72/57/27/408725727.db2.gz KGILFXLFFMUKSD-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000270882010 408725733 /nfs/dbraw/zinc/72/57/33/408725733.db2.gz KGILFXLFFMUKSD-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000250415618 408778578 /nfs/dbraw/zinc/77/85/78/408778578.db2.gz AAESGRFUUFXDJT-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1ccco1 ZINC000178148431 408780342 /nfs/dbraw/zinc/78/03/42/408780342.db2.gz VPPSDFZYAUNMST-GFCCVEGCSA-N 1 1 318.333 1.803 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192464307 163224445 /nfs/dbraw/zinc/22/44/45/163224445.db2.gz HIUKNSOIEMBULV-DLPZHFSESA-N 1 1 301.346 1.628 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000281801880 408931706 /nfs/dbraw/zinc/93/17/06/408931706.db2.gz KOORUCGYNOJQLZ-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000291969498 408954132 /nfs/dbraw/zinc/95/41/32/408954132.db2.gz SBMOYRIIYHFQSK-LLVKDONJSA-N 1 1 308.382 1.944 20 5 DDBDMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336546 409026063 /nfs/dbraw/zinc/02/60/63/409026063.db2.gz BCPJIDISWIIAHN-GJZGRUSLSA-N 1 1 309.341 1.952 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247051122 163539815 /nfs/dbraw/zinc/53/98/15/163539815.db2.gz SOLKBCFSRANGBQ-WDEREUQCSA-N 1 1 323.349 1.663 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000278396873 409080465 /nfs/dbraw/zinc/08/04/65/409080465.db2.gz KLLBGAVFSSVIRG-VIFPVBQESA-N 1 1 307.354 1.261 20 5 DDBDMO CC[C@](C)(O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293314737 409087211 /nfs/dbraw/zinc/08/72/11/409087211.db2.gz XFRFZVMZYHVTPN-INIZCTEOSA-N 1 1 321.377 1.514 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000287821946 409099181 /nfs/dbraw/zinc/09/91/81/409099181.db2.gz KGLCXQVXCABPHW-SNVBAGLBSA-N 1 1 308.338 1.448 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278916326 409112239 /nfs/dbraw/zinc/11/22/39/409112239.db2.gz QYMXWAANRKGXTH-HNNXBMFYSA-N 1 1 305.334 1.186 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000283456454 409159839 /nfs/dbraw/zinc/15/98/39/409159839.db2.gz LHYHJXPHZJOFTG-SECBINFHSA-N 1 1 322.340 1.530 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2C)c1 ZINC000283604137 409183886 /nfs/dbraw/zinc/18/38/86/409183886.db2.gz YTFVBDATXJNAQM-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CN1 ZINC000279364386 409199454 /nfs/dbraw/zinc/19/94/54/409199454.db2.gz HKOHEUFVBHZWMF-LLCTXKFZSA-N 1 1 301.346 1.820 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000284195885 409293834 /nfs/dbraw/zinc/29/38/34/409293834.db2.gz ZFXGDLQTEGTKKE-ZJUUUORDSA-N 1 1 324.356 1.871 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+](C2CC2)C1 ZINC000295288999 409415335 /nfs/dbraw/zinc/41/53/35/409415335.db2.gz IJICRUBTZSLBKM-SNVBAGLBSA-N 1 1 320.349 1.252 20 5 DDBDMO Cc1cc(OCC(=O)NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000280714275 409422373 /nfs/dbraw/zinc/42/23/73/409422373.db2.gz COKLBJNHADGMTP-UHFFFAOYSA-N 1 1 319.361 1.660 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684384 409485954 /nfs/dbraw/zinc/48/59/54/409485954.db2.gz SUOMGKJCRMMDKA-WDEREUQCSA-N 1 1 321.381 1.621 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000331452801 409527211 /nfs/dbraw/zinc/52/72/11/409527211.db2.gz XUBURZRITRORJU-LLVKDONJSA-N 1 1 321.381 1.558 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356725578 409552304 /nfs/dbraw/zinc/55/23/04/409552304.db2.gz DVPQKZWTEPMYTC-GFCCVEGCSA-N 1 1 323.397 1.426 20 5 DDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000356759109 409578616 /nfs/dbraw/zinc/57/86/16/409578616.db2.gz GCSVZFBWGKJAMX-JTQLQIEISA-N 1 1 319.365 1.930 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356759109 409578624 /nfs/dbraw/zinc/57/86/24/409578624.db2.gz GCSVZFBWGKJAMX-JTQLQIEISA-N 1 1 319.365 1.930 20 5 DDBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000356759109 409578627 /nfs/dbraw/zinc/57/86/27/409578627.db2.gz GCSVZFBWGKJAMX-JTQLQIEISA-N 1 1 319.365 1.930 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357005051 409786683 /nfs/dbraw/zinc/78/66/83/409786683.db2.gz QQQNWFUNWPLTET-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005051 409786695 /nfs/dbraw/zinc/78/66/95/409786695.db2.gz QQQNWFUNWPLTET-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357005051 409786707 /nfs/dbraw/zinc/78/67/07/409786707.db2.gz QQQNWFUNWPLTET-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000354379682 409810837 /nfs/dbraw/zinc/81/08/37/409810837.db2.gz CHBINFKHNOOXFL-NEPJUHHUSA-N 1 1 309.370 1.123 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000332095674 409878178 /nfs/dbraw/zinc/87/81/78/409878178.db2.gz NUSWHNDEWMQEEC-UHFFFAOYSA-N 1 1 318.337 1.146 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342832073 409934538 /nfs/dbraw/zinc/93/45/38/409934538.db2.gz RAKJHVBUHNXXMK-LBPRGKRZSA-N 1 1 309.351 1.078 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817065 410260146 /nfs/dbraw/zinc/26/01/46/410260146.db2.gz UEMHOAMURUYANV-OUJBWJOFSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817065 410260151 /nfs/dbraw/zinc/26/01/51/410260151.db2.gz UEMHOAMURUYANV-OUJBWJOFSA-N 1 1 323.349 1.243 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000351940182 410353928 /nfs/dbraw/zinc/35/39/28/410353928.db2.gz ZUCYTKUUCNAYSQ-NXEZZACHSA-N 1 1 307.354 1.127 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000346997046 410300483 /nfs/dbraw/zinc/30/04/83/410300483.db2.gz CBNQOEATZXNIOC-CMPLNLGQSA-N 1 1 308.334 1.987 20 5 DDBDMO Cn1c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000347384815 410511725 /nfs/dbraw/zinc/51/17/25/410511725.db2.gz ZCFKQVTVIDKXDF-ZDUSSCGKSA-N 1 1 320.393 1.737 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352195736 410536619 /nfs/dbraw/zinc/53/66/19/410536619.db2.gz TWDUIFNLKKUHEL-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000352195736 410536626 /nfs/dbraw/zinc/53/66/26/410536626.db2.gz TWDUIFNLKKUHEL-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1C ZINC000347534897 410602091 /nfs/dbraw/zinc/60/20/91/410602091.db2.gz ZSUSDZOMYRKDBF-GHMZBOCLSA-N 1 1 309.370 1.273 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352223252 410559022 /nfs/dbraw/zinc/55/90/22/410559022.db2.gz UOVPLNZKEQXFJA-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352223252 410559031 /nfs/dbraw/zinc/55/90/31/410559031.db2.gz UOVPLNZKEQXFJA-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331074817 410931230 /nfs/dbraw/zinc/93/12/30/410931230.db2.gz VNEWCCORWXVJQG-GFCCVEGCSA-N 1 1 323.397 1.313 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331074817 410931237 /nfs/dbraw/zinc/93/12/37/410931237.db2.gz VNEWCCORWXVJQG-GFCCVEGCSA-N 1 1 323.397 1.313 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000331225127 411029139 /nfs/dbraw/zinc/02/91/39/411029139.db2.gz MLGQZRCFXOUSKQ-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000331225127 411029145 /nfs/dbraw/zinc/02/91/45/411029145.db2.gz MLGQZRCFXOUSKQ-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC1CC[NH+](Cc2nc(-c3c([N+](=O)[O-])ncn3C)no2)CC1 ZINC000350907513 306759097 /nfs/dbraw/zinc/75/90/97/306759097.db2.gz RHEZLMHAMZLWFX-UHFFFAOYSA-N 1 1 306.326 1.610 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000366333442 418459323 /nfs/dbraw/zinc/45/93/23/418459323.db2.gz QLABRMUEZBXUPI-VHSXEESVSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000366333442 418459324 /nfs/dbraw/zinc/45/93/24/418459324.db2.gz QLABRMUEZBXUPI-VHSXEESVSA-N 1 1 323.736 1.343 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374025703 418485281 /nfs/dbraw/zinc/48/52/81/418485281.db2.gz YMOXRNOFXYZTSN-GLQYFDAESA-N 1 1 319.361 1.554 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374025703 418485284 /nfs/dbraw/zinc/48/52/84/418485284.db2.gz YMOXRNOFXYZTSN-GLQYFDAESA-N 1 1 319.361 1.554 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000374109414 418490159 /nfs/dbraw/zinc/49/01/59/418490159.db2.gz VBTOGBUXQVWPTJ-DOMZBBRYSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000374109414 418490162 /nfs/dbraw/zinc/49/01/62/418490162.db2.gz VBTOGBUXQVWPTJ-DOMZBBRYSA-N 1 1 320.324 1.738 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000366571588 418492357 /nfs/dbraw/zinc/49/23/57/418492357.db2.gz XVCOUZARXKHXIS-ZTGIWPAFSA-N 1 1 315.329 1.203 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374139249 418493838 /nfs/dbraw/zinc/49/38/38/418493838.db2.gz ABKDLWAHKNDYTF-AAEUAGOBSA-N 1 1 306.322 1.235 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374387552 418525235 /nfs/dbraw/zinc/52/52/35/418525235.db2.gz BMJJYZXWCHCHJB-IJEWVQPXSA-N 1 1 306.362 1.987 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374387555 418525610 /nfs/dbraw/zinc/52/56/10/418525610.db2.gz BMJJYZXWCHCHJB-SQWLQELKSA-N 1 1 306.362 1.987 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374836017 418568308 /nfs/dbraw/zinc/56/83/08/418568308.db2.gz ZICQNKHAXYJCMX-NXEZZACHSA-N 1 1 322.340 1.673 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000189427795 222045451 /nfs/dbraw/zinc/04/54/51/222045451.db2.gz IOIBSHSAARUINL-UHFFFAOYSA-N 1 1 308.342 1.018 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000375038644 418592687 /nfs/dbraw/zinc/59/26/87/418592687.db2.gz MAZJASZGVMQJJD-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000367836211 418642452 /nfs/dbraw/zinc/64/24/52/418642452.db2.gz RTQOLCUZXMFHDJ-OASPWFOLSA-N 1 1 303.318 1.250 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000375592095 418659461 /nfs/dbraw/zinc/65/94/61/418659461.db2.gz QOOKXMYQNBRCHT-MNOVXSKESA-N 1 1 312.395 1.964 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371446960 418791823 /nfs/dbraw/zinc/79/18/23/418791823.db2.gz IENKFCGEZMSPCE-QWHCGFSZSA-N 1 1 308.382 1.967 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408067306 418784743 /nfs/dbraw/zinc/78/47/43/418784743.db2.gz BNZRVIHDUNNBKK-UWVGGRQHSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408067306 418784745 /nfs/dbraw/zinc/78/47/45/418784745.db2.gz BNZRVIHDUNNBKK-UWVGGRQHSA-N 1 1 309.370 1.606 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000365859114 418916807 /nfs/dbraw/zinc/91/68/07/418916807.db2.gz UKJURIBORHBQMN-UHFFFAOYSA-N 1 1 304.354 1.441 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373249537 418933720 /nfs/dbraw/zinc/93/37/20/418933720.db2.gz JBTCENXBQLKRPJ-UHFFFAOYSA-N 1 1 309.370 1.295 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000420990806 419428170 /nfs/dbraw/zinc/42/81/70/419428170.db2.gz VAGZEDVUDRHUOJ-GFCCVEGCSA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000420990806 419428177 /nfs/dbraw/zinc/42/81/77/419428177.db2.gz VAGZEDVUDRHUOJ-GFCCVEGCSA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418106335 419535927 /nfs/dbraw/zinc/53/59/27/419535927.db2.gz CDQSITYMUYCZLW-QWHCGFSZSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411936335 419505860 /nfs/dbraw/zinc/50/58/60/419505860.db2.gz FPBAVPZGZSPQQA-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)n1 ZINC000411948340 419511957 /nfs/dbraw/zinc/51/19/57/419511957.db2.gz PQNWEPGZLRNRRD-UONOGXRCSA-N 1 1 302.334 1.599 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000427324489 419638259 /nfs/dbraw/zinc/63/82/59/419638259.db2.gz MWISOVJMMYOAGZ-GHMZBOCLSA-N 1 1 307.354 1.168 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412108271 419669937 /nfs/dbraw/zinc/66/99/37/419669937.db2.gz SAXOHZSAIZXSPY-TZMCWYRMSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412108271 419669944 /nfs/dbraw/zinc/66/99/44/419669944.db2.gz SAXOHZSAIZXSPY-TZMCWYRMSA-N 1 1 310.350 1.169 20 5 DDBDMO Nc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c[nH+]1 ZINC000413100506 419769872 /nfs/dbraw/zinc/76/98/72/419769872.db2.gz SHGWWRLZNLCYLY-UHFFFAOYSA-N 1 1 318.312 1.433 20 5 DDBDMO CN(C(=O)CN1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000299328018 229053672 /nfs/dbraw/zinc/05/36/72/229053672.db2.gz KJZAAYWSPKLRNS-UHFFFAOYSA-N 1 1 318.377 1.338 20 5 DDBDMO COCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430193208 420087974 /nfs/dbraw/zinc/08/79/74/420087974.db2.gz FWOPKRJHZNACKN-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430193208 420087975 /nfs/dbraw/zinc/08/79/75/420087975.db2.gz FWOPKRJHZNACKN-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430940275 420215661 /nfs/dbraw/zinc/21/56/61/420215661.db2.gz OEYZVWSEALHJLF-CYBMUJFWSA-N 1 1 320.393 1.773 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296425 420312009 /nfs/dbraw/zinc/31/20/09/420312009.db2.gz NVKSLGUSTQTOLW-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416335468 420334213 /nfs/dbraw/zinc/33/42/13/420334213.db2.gz VFNJAXXQFWLOIL-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCOC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420633030 420337273 /nfs/dbraw/zinc/33/72/73/420337273.db2.gz IQPMOTRQXCHRBV-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450795428 420533498 /nfs/dbraw/zinc/53/34/98/420533498.db2.gz OVBXHIUKCCSSAJ-PHIMTYICSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450795428 420533500 /nfs/dbraw/zinc/53/35/00/420533500.db2.gz OVBXHIUKCCSSAJ-PHIMTYICSA-N 1 1 311.386 1.011 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000417788195 420479246 /nfs/dbraw/zinc/47/92/46/420479246.db2.gz IGRZCAMFQXNMPB-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000417788195 420479250 /nfs/dbraw/zinc/47/92/50/420479250.db2.gz IGRZCAMFQXNMPB-LBPRGKRZSA-N 1 1 316.365 1.718 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000493186307 420781150 /nfs/dbraw/zinc/78/11/50/420781150.db2.gz GYTLTOQBZAIMRF-XPHWWTOTSA-N 1 1 301.346 1.771 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000454155784 420808346 /nfs/dbraw/zinc/80/83/46/420808346.db2.gz XCDJSJUUHMQXQM-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000454155784 420808349 /nfs/dbraw/zinc/80/83/49/420808349.db2.gz XCDJSJUUHMQXQM-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO COc1cc(C[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000459823223 420883476 /nfs/dbraw/zinc/88/34/76/420883476.db2.gz IRESZQBBHYBZLG-GXFFZTMASA-N 1 1 300.286 1.246 20 5 DDBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459836722 420888860 /nfs/dbraw/zinc/88/88/60/420888860.db2.gz ZNFCFRXEXCGENW-VHRBIJSZSA-N 1 1 323.349 1.234 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000455164927 420977029 /nfs/dbraw/zinc/97/70/29/420977029.db2.gz KLUMPNLOIIHQJC-GXFFZTMASA-N 1 1 320.349 1.771 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000456006771 421088560 /nfs/dbraw/zinc/08/85/60/421088560.db2.gz CCMFUHDDPZHRBU-MNOVXSKESA-N 1 1 321.381 1.586 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598115 421215292 /nfs/dbraw/zinc/21/52/92/421215292.db2.gz PVHAEUPDKPHDDR-OAHLLOKOSA-N 1 1 323.393 2.000 20 5 DDBDMO O=C1CC[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000450481982 421203126 /nfs/dbraw/zinc/20/31/26/421203126.db2.gz FZLXJNBOWSGJTQ-GFCCVEGCSA-N 1 1 303.362 1.869 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000496973503 421345192 /nfs/dbraw/zinc/34/51/92/421345192.db2.gz JQVMYKXLTXAPDV-LBPRGKRZSA-N 1 1 323.349 1.876 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000496973503 421345195 /nfs/dbraw/zinc/34/51/95/421345195.db2.gz JQVMYKXLTXAPDV-LBPRGKRZSA-N 1 1 323.349 1.876 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059749 421394339 /nfs/dbraw/zinc/39/43/39/421394339.db2.gz XDWMFJIXXWSKNJ-JTQLQIEISA-N 1 1 307.354 1.176 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000549654219 421503378 /nfs/dbraw/zinc/50/33/78/421503378.db2.gz NLFPQSMCKVBFLA-GFCCVEGCSA-N 1 1 306.366 1.485 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000563916274 421556325 /nfs/dbraw/zinc/55/63/25/421556325.db2.gz LVCGNVMIXUJLQS-CYBMUJFWSA-N 1 1 306.366 1.936 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](C2CCC2)C1 ZINC000553864869 421627022 /nfs/dbraw/zinc/62/70/22/421627022.db2.gz BBYFHVYMWSUJKU-LBPRGKRZSA-N 1 1 320.393 1.880 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321749 421708109 /nfs/dbraw/zinc/70/81/09/421708109.db2.gz HARCNJZARQDTRO-NHCYSSNCSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422982 421787247 /nfs/dbraw/zinc/78/72/47/421787247.db2.gz NYKVOLPWCDIQIX-BBRMVZONSA-N 1 1 318.421 1.808 20 5 DDBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344409685 272017273 /nfs/dbraw/zinc/01/72/73/272017273.db2.gz ABZIDKBACRDFQP-CQSZACIVSA-N 1 1 305.382 1.206 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000344412366 272018196 /nfs/dbraw/zinc/01/81/96/272018196.db2.gz CWGZGYJXMXKTLN-TXEJJXNPSA-N 1 1 309.370 1.123 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000157020018 277182616 /nfs/dbraw/zinc/18/26/16/277182616.db2.gz PBCGEQMXEZFIFI-OCCSQVGLSA-N 1 1 318.377 1.733 20 5 DDBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452042392 277265925 /nfs/dbraw/zinc/26/59/25/277265925.db2.gz TZAMINWOYYCISV-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000119953909 281110475 /nfs/dbraw/zinc/11/04/75/281110475.db2.gz VZHLSDFOJDIXPY-CYBMUJFWSA-N 1 1 309.391 1.995 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000119953909 281110478 /nfs/dbraw/zinc/11/04/78/281110478.db2.gz VZHLSDFOJDIXPY-CYBMUJFWSA-N 1 1 309.391 1.995 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193320 300025962 /nfs/dbraw/zinc/02/59/62/300025962.db2.gz YOVXSKKYDKNBIL-CHIMOYNISA-N 1 1 310.325 1.945 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000362276429 300041736 /nfs/dbraw/zinc/04/17/36/300041736.db2.gz GXKAURCJJJQYGF-OAHLLOKOSA-N 1 1 324.333 1.415 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000362577655 300100800 /nfs/dbraw/zinc/10/08/00/300100800.db2.gz QKJFGHDHQJHFNO-BBRMVZONSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000362577655 300100802 /nfs/dbraw/zinc/10/08/02/300100802.db2.gz QKJFGHDHQJHFNO-BBRMVZONSA-N 1 1 322.361 1.445 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363050830 300203850 /nfs/dbraw/zinc/20/38/50/300203850.db2.gz NMAYFIITZFOZCJ-ARFHVFGLSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363050830 300203852 /nfs/dbraw/zinc/20/38/52/300203852.db2.gz NMAYFIITZFOZCJ-ARFHVFGLSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363050830 300203853 /nfs/dbraw/zinc/20/38/53/300203853.db2.gz NMAYFIITZFOZCJ-ARFHVFGLSA-N 1 1 317.389 1.632 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000363170890 300225876 /nfs/dbraw/zinc/22/58/76/300225876.db2.gz PGSSJMWTZHYTPP-HNNXBMFYSA-N 1 1 302.334 1.945 20 5 DDBDMO O=[N+]([O-])c1c(N2CCC[N@H+]3CCC[C@H]3C2)nc2sccn21 ZINC000364261162 300364238 /nfs/dbraw/zinc/36/42/38/300364238.db2.gz SYNGYWOYZZWHLP-JTQLQIEISA-N 1 1 307.379 1.979 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364433725 300396422 /nfs/dbraw/zinc/39/64/22/300396422.db2.gz VLOSITAVPPYYMG-CABCVRRESA-N 1 1 319.361 1.266 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368835962 301094139 /nfs/dbraw/zinc/09/41/39/301094139.db2.gz VWSTWQHUSVTRLG-AWEZNQCLSA-N 1 1 307.350 1.120 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368835962 301094140 /nfs/dbraw/zinc/09/41/40/301094140.db2.gz VWSTWQHUSVTRLG-AWEZNQCLSA-N 1 1 307.350 1.120 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368950327 301108621 /nfs/dbraw/zinc/10/86/21/301108621.db2.gz MEDIJGQWJUOIKM-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n1 ZINC000370024583 301260423 /nfs/dbraw/zinc/26/04/23/301260423.db2.gz ABXQYBUCKAMLMG-CYBMUJFWSA-N 1 1 319.369 1.164 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000370163767 301286270 /nfs/dbraw/zinc/28/62/70/301286270.db2.gz UDJBWGGKQOSUDU-UHFFFAOYSA-N 1 1 320.393 1.981 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370560202 301364711 /nfs/dbraw/zinc/36/47/11/301364711.db2.gz XNWHNZSZXCLTSI-CYBMUJFWSA-N 1 1 321.333 1.500 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000370560202 301364713 /nfs/dbraw/zinc/36/47/13/301364713.db2.gz XNWHNZSZXCLTSI-CYBMUJFWSA-N 1 1 321.333 1.500 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@H]2C1 ZINC000376729412 302093518 /nfs/dbraw/zinc/09/35/18/302093518.db2.gz PXEDNAJFFKGDME-GWCFXTLKSA-N 1 1 307.325 1.900 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000377656187 302205432 /nfs/dbraw/zinc/20/54/32/302205432.db2.gz RCVKYVSHQWBVNC-PWSUYJOCSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000377656187 302205434 /nfs/dbraw/zinc/20/54/34/302205434.db2.gz RCVKYVSHQWBVNC-PWSUYJOCSA-N 1 1 309.753 1.816 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742303 302361925 /nfs/dbraw/zinc/36/19/25/302361925.db2.gz WSYVZWMTDHNUPR-MNOVXSKESA-N 1 1 307.350 1.144 20 5 DDBDMO Cc1cc(S(=O)(=O)NCC(F)(F)C[NH3+])c(C)cc1[N+](=O)[O-] ZINC000515311980 302771944 /nfs/dbraw/zinc/77/19/44/302771944.db2.gz AQCBBLPZMZTJML-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO CC[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531025999 303225943 /nfs/dbraw/zinc/22/59/43/303225943.db2.gz SHBZZADJFVZNDX-FZMZJTMJSA-N 1 1 317.345 1.959 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000530 307113974 /nfs/dbraw/zinc/11/39/74/307113974.db2.gz ITNSNNQZROEUJL-NWDGAFQWSA-N 1 1 309.370 1.343 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000530 307113975 /nfs/dbraw/zinc/11/39/75/307113975.db2.gz ITNSNNQZROEUJL-NWDGAFQWSA-N 1 1 309.370 1.343 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371555456 307153299 /nfs/dbraw/zinc/15/32/99/307153299.db2.gz UJOFSJKOXGIUOC-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373107710 307178956 /nfs/dbraw/zinc/17/89/56/307178956.db2.gz WBPSBGHYKJVNMN-ZFWWWQNUSA-N 1 1 324.381 1.971 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000374348354 307206033 /nfs/dbraw/zinc/20/60/33/307206033.db2.gz FWSFARXYUICYCD-NSHDSACASA-N 1 1 315.333 1.421 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000376660570 307252243 /nfs/dbraw/zinc/25/22/43/307252243.db2.gz OWFXZHNSARVHPS-OAHLLOKOSA-N 1 1 321.377 1.363 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000583103065 337240921 /nfs/dbraw/zinc/24/09/21/337240921.db2.gz YOJJSHUXNCAOID-OAHLLOKOSA-N 1 1 306.366 1.491 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452130256 534338340 /nfs/dbraw/zinc/33/83/40/534338340.db2.gz NQOUYPBXCGVJHQ-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330715831 534347312 /nfs/dbraw/zinc/34/73/12/534347312.db2.gz SYXIJMYRMRVWQN-PWSUYJOCSA-N 1 1 313.379 1.327 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330715831 534347319 /nfs/dbraw/zinc/34/73/19/534347319.db2.gz SYXIJMYRMRVWQN-PWSUYJOCSA-N 1 1 313.379 1.327 20 5 DDBDMO CC(C)(NC(=O)NCC(F)(F)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000418521100 527272803 /nfs/dbraw/zinc/27/28/03/527272803.db2.gz FVIVLUGZHZCAKZ-UHFFFAOYSA-N 1 1 316.308 1.723 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@H](CO)C3)o2)cc1 ZINC000157406357 527344869 /nfs/dbraw/zinc/34/48/69/527344869.db2.gz MCMZYSASHYQJSD-SNVBAGLBSA-N 1 1 304.306 1.459 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CO)C3)o2)cc1 ZINC000157406357 527344873 /nfs/dbraw/zinc/34/48/73/527344873.db2.gz MCMZYSASHYQJSD-SNVBAGLBSA-N 1 1 304.306 1.459 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000412995636 529004757 /nfs/dbraw/zinc/00/47/57/529004757.db2.gz ZYKFKHWZSKVALH-NSHDSACASA-N 1 1 322.365 1.118 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000457141266 529073903 /nfs/dbraw/zinc/07/39/03/529073903.db2.gz ZAOWVKSSWITJQI-LBPRGKRZSA-N 1 1 323.397 1.468 20 5 DDBDMO COCCC[N@@H+](CCOC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000068963683 696378827 /nfs/dbraw/zinc/37/88/27/696378827.db2.gz YCXCQCLWPZCVFA-UHFFFAOYSA-N 1 1 322.365 1.887 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000112310700 696650204 /nfs/dbraw/zinc/65/02/04/696650204.db2.gz AJTLJBKAOARUPC-UHFFFAOYSA-N 1 1 324.337 1.965 20 5 DDBDMO Cc1nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000164764732 697337117 /nfs/dbraw/zinc/33/71/17/697337117.db2.gz MZAGRNWYCZOTBP-KGLIPLIRSA-N 1 1 307.398 1.782 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000176105384 697401560 /nfs/dbraw/zinc/40/15/60/697401560.db2.gz OHTWCNIRCFIQPZ-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000750055115 700201360 /nfs/dbraw/zinc/20/13/60/700201360.db2.gz ZBWKEYCIZCSWMO-CABCVRRESA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000750055115 700201362 /nfs/dbraw/zinc/20/13/62/700201362.db2.gz ZBWKEYCIZCSWMO-CABCVRRESA-N 1 1 322.361 1.856 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000778768167 698366334 /nfs/dbraw/zinc/36/63/34/698366334.db2.gz GTPPWXOOIHHLNT-UHFFFAOYSA-N 1 1 307.310 1.320 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000779516315 698429651 /nfs/dbraw/zinc/42/96/51/698429651.db2.gz FHBWOHHDRKTPGG-UHFFFAOYSA-N 1 1 317.349 1.927 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000786949629 699182054 /nfs/dbraw/zinc/18/20/54/699182054.db2.gz KLYVINAQOFKZSO-GFCCVEGCSA-N 1 1 304.350 1.486 20 5 DDBDMO Cc1c(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000790444190 699460018 /nfs/dbraw/zinc/46/00/18/699460018.db2.gz AGFYOQKJGWUBGF-OAHLLOKOSA-N 1 1 304.350 1.802 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-])Nc1ccccc1 ZINC000791051417 699608934 /nfs/dbraw/zinc/60/89/34/699608934.db2.gz CSAIUJINIXBWAP-AWEZNQCLSA-N 1 1 306.366 1.939 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-])Nc1ccccc1 ZINC000791051417 699608935 /nfs/dbraw/zinc/60/89/35/699608935.db2.gz CSAIUJINIXBWAP-AWEZNQCLSA-N 1 1 306.366 1.939 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000742238652 699868962 /nfs/dbraw/zinc/86/89/62/699868962.db2.gz GJOIMBORNCWDOA-NSHDSACASA-N 1 1 309.370 1.090 20 5 DDBDMO C[N@@H+](CCCN1CCOC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000796111468 699913230 /nfs/dbraw/zinc/91/32/30/699913230.db2.gz GCIPEGASOSKIMK-UHFFFAOYSA-N 1 1 307.350 1.911 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578722 699940028 /nfs/dbraw/zinc/94/00/28/699940028.db2.gz JXQYSNFJMUYYFS-NILFDRSVSA-N 1 1 310.350 1.100 20 5 DDBDMO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000761079870 700841508 /nfs/dbraw/zinc/84/15/08/700841508.db2.gz GPUVVQXMODBGQH-GFCCVEGCSA-N 1 1 318.377 1.120 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000803855396 701149702 /nfs/dbraw/zinc/14/97/02/701149702.db2.gz HWJBECALJMSQMX-GFCCVEGCSA-N 1 1 310.354 1.599 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804396397 701186108 /nfs/dbraw/zinc/18/61/08/701186108.db2.gz HFJVLQHZTHVVKU-GHMZBOCLSA-N 1 1 322.321 1.778 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140403 701234008 /nfs/dbraw/zinc/23/40/08/701234008.db2.gz OJBJWARMTSCCDH-MNOVXSKESA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140403 701234009 /nfs/dbraw/zinc/23/40/09/701234009.db2.gz OJBJWARMTSCCDH-MNOVXSKESA-N 1 1 306.366 1.650 20 5 DDBDMO CN(CCOCC1CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867956752 701852601 /nfs/dbraw/zinc/85/26/01/701852601.db2.gz SUFZDMUUTXCIFI-MRXNPFEDSA-N 1 1 321.377 1.654 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840181060 702015686 /nfs/dbraw/zinc/01/56/86/702015686.db2.gz YXKRUDQWYGQPTG-LLVKDONJSA-N 1 1 317.349 1.312 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000817679667 702449125 /nfs/dbraw/zinc/44/91/25/702449125.db2.gz VGRZZAXPJSTLFH-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000842046555 702663239 /nfs/dbraw/zinc/66/32/39/702663239.db2.gz DCKUMLCRSMDHSE-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000842046555 702663240 /nfs/dbraw/zinc/66/32/40/702663240.db2.gz DCKUMLCRSMDHSE-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO COC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000842802005 702776322 /nfs/dbraw/zinc/77/63/22/702776322.db2.gz POVRQMXVSPMCGO-AWEZNQCLSA-N 1 1 320.345 1.891 20 5 DDBDMO COC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000842802005 702776324 /nfs/dbraw/zinc/77/63/24/702776324.db2.gz POVRQMXVSPMCGO-AWEZNQCLSA-N 1 1 320.345 1.891 20 5 DDBDMO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843381310 702870567 /nfs/dbraw/zinc/87/05/67/702870567.db2.gz COWGVPXZSHIONC-HNNXBMFYSA-N 1 1 324.356 1.733 20 5 DDBDMO COCCOCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000845767444 703198192 /nfs/dbraw/zinc/19/81/92/703198192.db2.gz JWLAKWJKRGGWEU-UHFFFAOYSA-N 1 1 323.393 1.688 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879580628 706727103 /nfs/dbraw/zinc/72/71/03/706727103.db2.gz IPUKDFVUHYLSFV-KBMXLJTQSA-N 1 1 305.378 1.654 20 5 DDBDMO C[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000847783914 703466061 /nfs/dbraw/zinc/46/60/61/703466061.db2.gz IRVSLOAVKMYQJI-LLVKDONJSA-N 1 1 310.354 1.636 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000869784094 703852235 /nfs/dbraw/zinc/85/22/35/703852235.db2.gz HEAQCNMTUXIJMB-NSHDSACASA-N 1 1 307.350 1.170 20 5 DDBDMO CC1(C)OC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843157 703868632 /nfs/dbraw/zinc/86/86/32/703868632.db2.gz ATWWYMWDOLCOQL-YPMHNXCESA-N 1 1 322.365 1.628 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000818959297 704035089 /nfs/dbraw/zinc/03/50/89/704035089.db2.gz HQCBESFHOLHNNH-OWCLPIDISA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000818959297 704035096 /nfs/dbraw/zinc/03/50/96/704035096.db2.gz HQCBESFHOLHNNH-OWCLPIDISA-N 1 1 305.378 1.845 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000852571567 704078128 /nfs/dbraw/zinc/07/81/28/704078128.db2.gz VTVNDCZJMUSNBG-UHFFFAOYSA-N 1 1 311.338 1.604 20 5 DDBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819290196 704101539 /nfs/dbraw/zinc/10/15/39/704101539.db2.gz WFGGTCQURHSWQT-CYBMUJFWSA-N 1 1 319.365 1.765 20 5 DDBDMO CN(C[C@H]1CCCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870922637 704170179 /nfs/dbraw/zinc/17/01/79/704170179.db2.gz KQJWVWKAPSWVJP-WBMJQRKESA-N 1 1 321.377 1.654 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000821091297 704370907 /nfs/dbraw/zinc/37/09/07/704370907.db2.gz AQQQGTGLIQSUEJ-OCCSQVGLSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000821091297 704370909 /nfs/dbraw/zinc/37/09/09/704370909.db2.gz AQQQGTGLIQSUEJ-OCCSQVGLSA-N 1 1 321.377 1.661 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834925 705192349 /nfs/dbraw/zinc/19/23/49/705192349.db2.gz VSDQGCGDVDSDSB-RYUDHWBXSA-N 1 1 304.350 1.486 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000826796585 705873673 /nfs/dbraw/zinc/87/36/73/705873673.db2.gz LJFDZXIWHZCJEQ-SNVBAGLBSA-N 1 1 311.313 1.184 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827366712 705986725 /nfs/dbraw/zinc/98/67/25/705986725.db2.gz OHOYIEYVMKANON-OCCSQVGLSA-N 1 1 318.377 1.803 20 5 DDBDMO C[C@H](NCC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029212 707282347 /nfs/dbraw/zinc/28/23/47/707282347.db2.gz PBKITWNCUBXMOJ-NSHDSACASA-N 1 1 324.356 1.159 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877652127 706170619 /nfs/dbraw/zinc/17/06/19/706170619.db2.gz BFVNYHDZINXWDY-INIZCTEOSA-N 1 1 322.361 1.976 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCn3cnnn3)C2)cc1 ZINC000878679164 706466740 /nfs/dbraw/zinc/46/67/40/706466740.db2.gz ULIHYFPWEAMHIC-ZDUSSCGKSA-N 1 1 302.338 1.461 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865997290 706588819 /nfs/dbraw/zinc/58/88/19/706588819.db2.gz XTFNRWSEMAPVTL-NSHDSACASA-N 1 1 311.386 1.377 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832908243 706997631 /nfs/dbraw/zinc/99/76/31/706997631.db2.gz HJAFSZMXKGDSKJ-RISCZKNCSA-N 1 1 309.366 1.473 20 5 DDBDMO [NH3+]C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872149839 707303722 /nfs/dbraw/zinc/30/37/22/707303722.db2.gz RDVSDIJLSMKBSJ-ONGXEEELSA-N 1 1 319.283 1.869 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000885855207 708640277 /nfs/dbraw/zinc/64/02/77/708640277.db2.gz LCURRHHWJRFSGG-HNNXBMFYSA-N 1 1 319.361 1.578 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338510 708745342 /nfs/dbraw/zinc/74/53/42/708745342.db2.gz LZBWPCGAXPWQJE-GARJFASQSA-N 1 1 305.334 1.882 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886338510 708745343 /nfs/dbraw/zinc/74/53/43/708745343.db2.gz LZBWPCGAXPWQJE-GARJFASQSA-N 1 1 305.334 1.882 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000900098996 709288812 /nfs/dbraw/zinc/28/88/12/709288812.db2.gz LMOVQGIJKTXQKY-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910286365 709867200 /nfs/dbraw/zinc/86/72/00/709867200.db2.gz GPTVXIKTWPKVDJ-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910286365 709867206 /nfs/dbraw/zinc/86/72/06/709867206.db2.gz GPTVXIKTWPKVDJ-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910286365 709867210 /nfs/dbraw/zinc/86/72/10/709867210.db2.gz GPTVXIKTWPKVDJ-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000910289183 709869124 /nfs/dbraw/zinc/86/91/24/709869124.db2.gz QFHRXHJMZUCYSU-NSHDSACASA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331561 710012137 /nfs/dbraw/zinc/01/21/37/710012137.db2.gz XTCOLYBPDLLWJQ-PGUXBMHVSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331561 710012143 /nfs/dbraw/zinc/01/21/43/710012143.db2.gz XTCOLYBPDLLWJQ-PGUXBMHVSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000928434469 713194530 /nfs/dbraw/zinc/19/45/30/713194530.db2.gz DZEZKJQHPJYNKJ-PSASIEDQSA-N 1 1 307.306 1.146 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C[C@@]2(C)C1 ZINC000894800343 711275622 /nfs/dbraw/zinc/27/56/22/711275622.db2.gz CSBKZJGDPCOQEP-IYBDPMFKSA-N 1 1 318.377 1.472 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000894865949 711301967 /nfs/dbraw/zinc/30/19/67/711301967.db2.gz QVKDLNATVSWXBA-UHFFFAOYSA-N 1 1 313.361 1.651 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000895191091 711449050 /nfs/dbraw/zinc/44/90/50/711449050.db2.gz GZTQBMYBIRRXJR-CMPLNLGQSA-N 1 1 304.350 1.367 20 5 DDBDMO CC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246143 711463896 /nfs/dbraw/zinc/46/38/96/711463896.db2.gz LVWVGFMQPQAHIM-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1ccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000895246143 711463897 /nfs/dbraw/zinc/46/38/97/711463897.db2.gz LVWVGFMQPQAHIM-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895444164 711513946 /nfs/dbraw/zinc/51/39/46/711513946.db2.gz RFGFWHZJYRQKMC-NEPJUHHUSA-N 1 1 308.334 1.777 20 5 DDBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738494 711591360 /nfs/dbraw/zinc/59/13/60/711591360.db2.gz WTPHQFJXUIMQHK-CMPLNLGQSA-N 1 1 307.350 1.815 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000895771419 711601922 /nfs/dbraw/zinc/60/19/22/711601922.db2.gz KNWDNXNHLAZPQU-CYBMUJFWSA-N 1 1 323.324 1.119 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3[C@H](O)CC[C@@H]3C1)OCCO2 ZINC000895784843 711605561 /nfs/dbraw/zinc/60/55/61/711605561.db2.gz PDZHRUVCXKQPGG-SCDSUCTJSA-N 1 1 320.345 1.569 20 5 DDBDMO Cc1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000896219940 711693538 /nfs/dbraw/zinc/69/35/38/711693538.db2.gz JMEWOKOFZXWPCK-HIFRSBDPSA-N 1 1 318.377 1.749 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908350610 712749336 /nfs/dbraw/zinc/74/93/36/712749336.db2.gz ZUTSADOXPZLUGX-QPUJVOFHSA-N 1 1 324.768 1.607 20 5 DDBDMO C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000908512396 712793402 /nfs/dbraw/zinc/79/34/02/712793402.db2.gz LCRNYMGACGYMND-BLLLJJGKSA-N 1 1 321.377 1.619 20 5 DDBDMO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000914300117 713373015 /nfs/dbraw/zinc/37/30/15/713373015.db2.gz KDRVQOSGVGNCPU-NSHDSACASA-N 1 1 308.338 1.107 20 5 DDBDMO C[N@@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000917462760 713499245 /nfs/dbraw/zinc/49/92/45/713499245.db2.gz IVLDSOXRTIPJIR-OAHLLOKOSA-N 1 1 301.350 1.738 20 5 DDBDMO C[N@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000917462760 713499247 /nfs/dbraw/zinc/49/92/47/713499247.db2.gz IVLDSOXRTIPJIR-OAHLLOKOSA-N 1 1 301.350 1.738 20 5 DDBDMO CCOC(=O)/C=C\C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985538 713729016 /nfs/dbraw/zinc/72/90/16/713729016.db2.gz BUQSPQPDYJHYCX-MVZIDQBPSA-N 1 1 320.349 1.595 20 5 DDBDMO CCOC(=O)/C=C\C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985538 713729017 /nfs/dbraw/zinc/72/90/17/713729017.db2.gz BUQSPQPDYJHYCX-MVZIDQBPSA-N 1 1 320.349 1.595 20 5 DDBDMO COc1cc(N[C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)cc(OC)c1 ZINC000930044353 713742587 /nfs/dbraw/zinc/74/25/87/713742587.db2.gz YTYSVBBAFHMVHF-LBPRGKRZSA-N 1 1 309.366 1.857 20 5 DDBDMO COc1cc(N[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)cc(OC)c1 ZINC000930044353 713742589 /nfs/dbraw/zinc/74/25/89/713742589.db2.gz YTYSVBBAFHMVHF-LBPRGKRZSA-N 1 1 309.366 1.857 20 5 DDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336025 714319631 /nfs/dbraw/zinc/31/96/31/714319631.db2.gz UAYDNAZLCAQQLT-DZGCQCFKSA-N 1 1 323.393 1.408 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932514186 714352095 /nfs/dbraw/zinc/35/20/95/714352095.db2.gz OGBLDYKTRUTZGI-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000933287674 714554785 /nfs/dbraw/zinc/55/47/85/714554785.db2.gz YMUSHDGWHWAXPX-AWEZNQCLSA-N 1 1 321.377 1.998 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)c1 ZINC000933677966 714646122 /nfs/dbraw/zinc/64/61/22/714646122.db2.gz SERZTNXEOSAVJB-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)c1 ZINC000933677966 714646124 /nfs/dbraw/zinc/64/61/24/714646124.db2.gz SERZTNXEOSAVJB-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000934259197 714778223 /nfs/dbraw/zinc/77/82/23/714778223.db2.gz HHRNWSJIZRUSNC-SJORKVTESA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934259197 714778225 /nfs/dbraw/zinc/77/82/25/714778225.db2.gz HHRNWSJIZRUSNC-SJORKVTESA-N 1 1 319.405 1.668 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934259197 714778227 /nfs/dbraw/zinc/77/82/27/714778227.db2.gz HHRNWSJIZRUSNC-SJORKVTESA-N 1 1 319.405 1.668 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@H+]1C ZINC000925333467 714815268 /nfs/dbraw/zinc/81/52/68/714815268.db2.gz FCMYAZQJCBSDHA-BXUZGUMPSA-N 1 1 318.377 1.755 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000934832312 714912871 /nfs/dbraw/zinc/91/28/71/714912871.db2.gz AXMPUKYQDCYDRH-KGLIPLIRSA-N 1 1 308.382 1.930 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000934951505 714937015 /nfs/dbraw/zinc/93/70/15/714937015.db2.gz OUSWEQNSECMHQU-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022061853 734367699 /nfs/dbraw/zinc/36/76/99/734367699.db2.gz YAHMUJIAOVBVOF-WRWGMCAJSA-N 1 1 324.768 1.137 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NCC[NH+]1CCSCC1 ZINC001167833076 738957226 /nfs/dbraw/zinc/95/72/26/738957226.db2.gz YEPHMTSEIRKBFJ-UHFFFAOYSA-N 1 1 318.786 1.342 20 5 DDBDMO O=C(NCC[NH2+]Cc1cc2ccccc2s1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936573 742841402 /nfs/dbraw/zinc/84/14/02/742841402.db2.gz MAEKSHBMZRXVIF-CHWSQXEVSA-N 1 1 319.386 1.772 20 5 DDBDMO Cn1nccc1C[C@@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001198821324 747623948 /nfs/dbraw/zinc/62/39/48/747623948.db2.gz QWKHLBRBSVCGSN-AWEZNQCLSA-N 1 1 301.350 1.930 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000866212521 749159240 /nfs/dbraw/zinc/15/92/40/749159240.db2.gz LCGAOVFXYWVBOV-UHFFFAOYSA-N 1 1 305.382 1.206 20 5 DDBDMO CCOC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168960766 762154692 /nfs/dbraw/zinc/15/46/92/762154692.db2.gz GYLJWYWSVPWPLJ-VXGBXAGGSA-N 1 1 300.355 1.134 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018948 762199425 /nfs/dbraw/zinc/19/94/25/762199425.db2.gz FROZHUPOLHAYDY-AEGPPILISA-N 1 1 322.409 1.801 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329048 766254080 /nfs/dbraw/zinc/25/40/80/766254080.db2.gz NPTGKPDHZGDQSQ-AAEUAGOBSA-N 1 1 321.377 1.732 20 5 DDBDMO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525270 769492826 /nfs/dbraw/zinc/49/28/26/769492826.db2.gz RFPYXFQHKHFXSA-XLWJZTARSA-N 1 1 309.410 1.667 20 5 DDBDMO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525270 769492830 /nfs/dbraw/zinc/49/28/30/769492830.db2.gz RFPYXFQHKHFXSA-XLWJZTARSA-N 1 1 309.410 1.667 20 5 DDBDMO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525270 769492836 /nfs/dbraw/zinc/49/28/36/769492836.db2.gz RFPYXFQHKHFXSA-XLWJZTARSA-N 1 1 309.410 1.667 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001170900549 771899119 /nfs/dbraw/zinc/89/91/19/771899119.db2.gz VWLAULQULYPFBP-CYBMUJFWSA-N 1 1 318.337 1.613 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093787438 775078020 /nfs/dbraw/zinc/07/80/20/775078020.db2.gz CSZLRPIEYZRESJ-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C[N@H+](C)C1CCC1 ZINC001094221361 775541751 /nfs/dbraw/zinc/54/17/51/775541751.db2.gz BDKYZKKEXGTALG-UHFFFAOYSA-N 1 1 321.381 1.311 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100203693 775815277 /nfs/dbraw/zinc/81/52/77/775815277.db2.gz BAHWKUAQRBWSAB-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC001178708145 779153516 /nfs/dbraw/zinc/15/35/16/779153516.db2.gz COMOHDHKCLMJRF-JTQLQIEISA-N 1 1 309.370 1.340 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001139628264 860441806 /nfs/dbraw/zinc/44/18/06/860441806.db2.gz UTDPECWAYYJNFH-LBPRGKRZSA-N 1 1 306.366 1.855 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157018895 863520659 /nfs/dbraw/zinc/52/06/59/863520659.db2.gz APYDWWUYXFVQCO-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO O=C(NCCC[NH2+]CCc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001157767843 864118356 /nfs/dbraw/zinc/11/83/56/864118356.db2.gz XKQUAIQGXKBJMF-TZMCWYRMSA-N 1 1 309.341 1.129 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C(C)C)[C@@H](C)C2)n1 ZINC001158501308 864692636 /nfs/dbraw/zinc/69/26/36/864692636.db2.gz QZWFQTZACODGBH-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO COCCOC1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001158974178 865010759 /nfs/dbraw/zinc/01/07/59/865010759.db2.gz JBCUSGIWTQZNMD-SNAWJCMRSA-N 1 1 322.365 1.374 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001159453733 865308825 /nfs/dbraw/zinc/30/88/25/865308825.db2.gz ZSRDOCXJMNPJNF-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001320575396 866847595 /nfs/dbraw/zinc/84/75/95/866847595.db2.gz BIQFAEQOFUBONU-ZDUSSCGKSA-N 1 1 308.382 1.489 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001322404724 868154786 /nfs/dbraw/zinc/15/47/86/868154786.db2.gz BRJGBTJJKKOTEA-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC001335442053 868300569 /nfs/dbraw/zinc/30/05/69/868300569.db2.gz VWJSTCPDWTWLGM-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC001335442053 868300580 /nfs/dbraw/zinc/30/05/80/868300580.db2.gz VWJSTCPDWTWLGM-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO O=C(NCCC1(C[NH2+]CCC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494771 869233989 /nfs/dbraw/zinc/23/39/89/869233989.db2.gz REPBTULMUANAJQ-NXEZZACHSA-N 1 1 323.315 1.480 20 5 DDBDMO COCCC[NH+]1CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001165093224 869368889 /nfs/dbraw/zinc/36/88/89/869368889.db2.gz BZYVIMLFYVFAPT-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO C[NH+](C)/C=C\c1cc(N2CCN(CCF)CC2)ncc1[N+](=O)[O-] ZINC001165102817 869376040 /nfs/dbraw/zinc/37/60/40/869376040.db2.gz MRSCFGMVWNTRNX-HYXAFXHYSA-N 1 1 323.372 1.614 20 5 DDBDMO C[N@@H+](C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1)[C@@H]1CCOC1 ZINC001165205583 869430413 /nfs/dbraw/zinc/43/04/13/869430413.db2.gz NBWQIINVNBNXDG-SNVBAGLBSA-N 1 1 317.349 1.380 20 5 DDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CC=CC2)c1 ZINC001339493363 870523428 /nfs/dbraw/zinc/52/34/28/870523428.db2.gz PNBYFYKOIUIFNG-UHFFFAOYSA-N 1 1 307.375 1.918 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001305031355 871256766 /nfs/dbraw/zinc/25/67/66/871256766.db2.gz CRYCTVREXFOPQN-UHFFFAOYSA-N 1 1 306.366 1.639 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340877184 871404381 /nfs/dbraw/zinc/40/43/81/871404381.db2.gz CRXZWLLICMCJAS-WOPDTQHZSA-N 1 1 310.402 1.555 20 5 DDBDMO Cc1[nH]c(=O)nc(O[C@@H](C)C[N+](C)(C)C)c1Br ZINC001226787636 882653902 /nfs/dbraw/zinc/65/39/02/882653902.db2.gz JURVNNNIIJOBKO-ZETCQYMHSA-O 1 1 305.196 1.727 20 5 DDBDMO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC[NH+](CCO)CC1 ZINC001346048302 873600718 /nfs/dbraw/zinc/60/07/18/873600718.db2.gz MCEAEOFJSWRRCK-UHFFFAOYSA-N 1 1 319.283 1.728 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC001347503991 874164460 /nfs/dbraw/zinc/16/44/60/874164460.db2.gz PPNMNHXEMRCNDF-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO C[N@@H+]1CCO[C@H](COc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227222198 882917293 /nfs/dbraw/zinc/91/72/93/882917293.db2.gz XRIRPHHZLDNJIV-NSHDSACASA-N 1 1 319.317 1.558 20 5 DDBDMO C[N@H+]1CCO[C@H](COc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227222198 882917311 /nfs/dbraw/zinc/91/73/11/882917311.db2.gz XRIRPHHZLDNJIV-NSHDSACASA-N 1 1 319.317 1.558 20 5 DDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCC[N@H+](C)C1 ZINC001227541869 883072040 /nfs/dbraw/zinc/07/20/40/883072040.db2.gz PYMGEDGSCJHVEW-MRVPVSSYSA-N 1 1 300.336 1.916 20 5 DDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001227541869 883072057 /nfs/dbraw/zinc/07/20/57/883072057.db2.gz PYMGEDGSCJHVEW-MRVPVSSYSA-N 1 1 300.336 1.916 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001353102720 877120384 /nfs/dbraw/zinc/12/03/84/877120384.db2.gz PRVPKVIHLYNYLO-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO C[C@@H](C[NH+]1CCOCC1)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227744697 883155466 /nfs/dbraw/zinc/15/54/66/883155466.db2.gz HWPUGRNQLAFQDM-JTQLQIEISA-N 1 1 306.322 1.571 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228614074 883574197 /nfs/dbraw/zinc/57/41/97/883574197.db2.gz SOLVRCPAIPKAAQ-SNVBAGLBSA-N 1 1 302.277 1.973 20 5 DDBDMO COC(=O)c1cc(OCC[N@@H+]2CC[C@@H](OC)C2)cc([N+](=O)[O-])c1 ZINC001228772540 883663272 /nfs/dbraw/zinc/66/32/72/883663272.db2.gz XVOCSFKLVFRUCM-CYBMUJFWSA-N 1 1 324.333 1.481 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230879309 884999841 /nfs/dbraw/zinc/99/98/41/884999841.db2.gz NQVRJDWLSDWVFR-JVUFJMBOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001230879309 884999851 /nfs/dbraw/zinc/99/98/51/884999851.db2.gz NQVRJDWLSDWVFR-JVUFJMBOSA-N 1 1 311.725 1.826 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001254553473 896498907 /nfs/dbraw/zinc/49/89/07/896498907.db2.gz VQMKCQCKIIQZBL-DLTLXFJOSA-N 1 1 320.389 1.998 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001254553473 896498912 /nfs/dbraw/zinc/49/89/12/896498912.db2.gz VQMKCQCKIIQZBL-DLTLXFJOSA-N 1 1 320.389 1.998 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565889 896504642 /nfs/dbraw/zinc/50/46/42/896504642.db2.gz QUFBCPSGGQNBAJ-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565889 896504648 /nfs/dbraw/zinc/50/46/48/896504648.db2.gz QUFBCPSGGQNBAJ-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO CC[N@@H+](CCN1CCOCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604292 896526827 /nfs/dbraw/zinc/52/68/27/896526827.db2.gz UTASZJAONNSAEZ-QGZVFWFLSA-N 1 1 319.405 1.716 20 5 DDBDMO O=C1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]2CCCN12 ZINC001254605309 896527606 /nfs/dbraw/zinc/52/76/06/896527606.db2.gz BDLKYZGGFSAPOD-HZPDHXFCSA-N 1 1 315.373 1.759 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612450 896533496 /nfs/dbraw/zinc/53/34/96/896533496.db2.gz WGZXYXXBOCDWBK-DZGCQCFKSA-N 1 1 318.377 1.455 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000248964908 282121801 /nfs/dbraw/zinc/12/18/01/282121801.db2.gz ROEFFTLLCMCLJV-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079384897 185167824 /nfs/dbraw/zinc/16/78/24/185167824.db2.gz LKVAKDZKINTXGM-UHFFFAOYSA-N 1 1 309.366 1.380 20 5 DDBDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551326 185302618 /nfs/dbraw/zinc/30/26/18/185302618.db2.gz FCFXUGVRJZIKLR-CJNGLKHVSA-N 1 1 323.393 1.892 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181418543 199293744 /nfs/dbraw/zinc/29/37/44/199293744.db2.gz ANODRUJPMIVBEZ-SNVBAGLBSA-N 1 1 323.349 1.784 20 5 DDBDMO CS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000279791441 215148690 /nfs/dbraw/zinc/14/86/90/215148690.db2.gz MJHYZXFHLVQDKJ-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253082 358464775 /nfs/dbraw/zinc/46/47/75/358464775.db2.gz DGEQPUCGJRFSCG-UHFFFAOYSA-N 1 1 314.349 1.145 20 5 DDBDMO Cc1cccc(C[NH+]2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000008337305 352134125 /nfs/dbraw/zinc/13/41/25/352134125.db2.gz BTACEOLMBNCDDW-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO Nc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000047287023 352489487 /nfs/dbraw/zinc/48/94/87/352489487.db2.gz WHOKHPUMAZIVRA-QWHCGFSZSA-N 1 1 304.350 1.534 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@H](C)O ZINC000072713605 191218749 /nfs/dbraw/zinc/21/87/49/191218749.db2.gz RXQQDWXUAIZBSG-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO NC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000052844406 352627733 /nfs/dbraw/zinc/62/77/33/352627733.db2.gz NMPWARFETHJLLU-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000058857822 352854774 /nfs/dbraw/zinc/85/47/74/352854774.db2.gz NNXXBGVEJWKUPY-UHFFFAOYSA-N 1 1 302.334 1.900 20 5 DDBDMO Nc1c(C(=O)N2CC[NH+](CC3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000064299485 352933156 /nfs/dbraw/zinc/93/31/56/352933156.db2.gz OSNMQMIZWUIMKB-UHFFFAOYSA-N 1 1 322.340 1.484 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000173524160 198224022 /nfs/dbraw/zinc/22/40/22/198224022.db2.gz BULXVFVRKWFWRH-CYBMUJFWSA-N 1 1 323.374 1.230 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000068776757 353129208 /nfs/dbraw/zinc/12/92/08/353129208.db2.gz WMUWQGVTDVDMLW-UHFFFAOYSA-N 1 1 323.397 1.469 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000073021810 353233136 /nfs/dbraw/zinc/23/31/36/353233136.db2.gz SNWGRWSVIZJDAK-CJNGLKHVSA-N 1 1 323.393 1.281 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000174645604 198364837 /nfs/dbraw/zinc/36/48/37/198364837.db2.gz NWSRAKGOBRQMNQ-HNNXBMFYSA-N 1 1 302.334 1.211 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CC[NH+](C)CC1 ZINC000077450008 353469470 /nfs/dbraw/zinc/46/94/70/353469470.db2.gz IISUMLOVNMMTFR-UHFFFAOYSA-N 1 1 323.393 1.540 20 5 DDBDMO CN(C)c1nc(NCCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000077486663 353471675 /nfs/dbraw/zinc/47/16/75/353471675.db2.gz ZQBSASITHZIAPU-UHFFFAOYSA-N 1 1 302.338 1.975 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000078612839 353524185 /nfs/dbraw/zinc/52/41/85/353524185.db2.gz LNIKOCCULQGPJQ-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000078612839 353524188 /nfs/dbraw/zinc/52/41/88/353524188.db2.gz LNIKOCCULQGPJQ-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000080554290 353614715 /nfs/dbraw/zinc/61/47/15/353614715.db2.gz GXISCTFKSXMZCI-UHFFFAOYSA-N 1 1 306.366 1.526 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)nn21 ZINC000091479994 353828310 /nfs/dbraw/zinc/82/83/10/353828310.db2.gz HFEFEKZNSCABFM-JTQLQIEISA-N 1 1 313.321 1.745 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141679000 354141536 /nfs/dbraw/zinc/14/15/36/354141536.db2.gz YBRPSIIKYXPGRQ-CQSZACIVSA-N 1 1 319.361 1.670 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153491997 354200060 /nfs/dbraw/zinc/20/00/60/354200060.db2.gz KBXKJKSZVNDGLI-MRXNPFEDSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000153491997 354200064 /nfs/dbraw/zinc/20/00/64/354200064.db2.gz KBXKJKSZVNDGLI-MRXNPFEDSA-N 1 1 319.361 1.954 20 5 DDBDMO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237488713 354343230 /nfs/dbraw/zinc/34/32/30/354343230.db2.gz ZSGAGBBGMRRYHH-BDAKNGLRSA-N 1 1 303.322 1.423 20 5 DDBDMO O=[N+]([O-])c1c(N[C@H]2CCc3c[nH+]cn3C2)nc2sccn21 ZINC000588067746 354898640 /nfs/dbraw/zinc/89/86/40/354898640.db2.gz MQKSPJHTQQCINO-QMMMGPOBSA-N 1 1 304.335 1.927 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860632 354943791 /nfs/dbraw/zinc/94/37/91/354943791.db2.gz KIAFLSQLMLJQHT-ZFWWWQNUSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000589510897 354997930 /nfs/dbraw/zinc/99/79/30/354997930.db2.gz UNJXPNISUIDLIX-CMPLNLGQSA-N 1 1 308.334 1.584 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561799 355115028 /nfs/dbraw/zinc/11/50/28/355115028.db2.gz GVVWGHBUWDPENZ-QWRGUYRKSA-N 1 1 309.322 1.123 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cscn1 ZINC000591728799 355373162 /nfs/dbraw/zinc/37/31/62/355373162.db2.gz OCVVBKFSDFNMIC-LLVKDONJSA-N 1 1 309.347 1.581 20 5 DDBDMO CNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130991 355508437 /nfs/dbraw/zinc/50/84/37/355508437.db2.gz OGICFDIYVUMNFN-HDJSIYSDSA-N 1 1 321.377 1.446 20 5 DDBDMO CNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130991 355508439 /nfs/dbraw/zinc/50/84/39/355508439.db2.gz OGICFDIYVUMNFN-HDJSIYSDSA-N 1 1 321.377 1.446 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC[C@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000593998411 356083263 /nfs/dbraw/zinc/08/32/63/356083263.db2.gz JZQPONISBHXGJL-MRXNPFEDSA-N 1 1 319.361 1.848 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@]23CCNC3=O)ccc1[N+](=O)[O-] ZINC000593998411 356083267 /nfs/dbraw/zinc/08/32/67/356083267.db2.gz JZQPONISBHXGJL-MRXNPFEDSA-N 1 1 319.361 1.848 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594199313 356137934 /nfs/dbraw/zinc/13/79/34/356137934.db2.gz JTELFQXANUVOET-OLZOCXBDSA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594199315 356137945 /nfs/dbraw/zinc/13/79/45/356137945.db2.gz JTELFQXANUVOET-STQMWFEESA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1sc(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000594846454 356335111 /nfs/dbraw/zinc/33/51/11/356335111.db2.gz JDLAUPCALSZDJT-UHFFFAOYSA-N 1 1 319.408 1.147 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000081362763 192257668 /nfs/dbraw/zinc/25/76/68/192257668.db2.gz UIUOFNCWMXWGAW-ZDUSSCGKSA-N 1 1 323.397 1.290 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081556686 192292165 /nfs/dbraw/zinc/29/21/65/192292165.db2.gz XESUDVFLGSKCDT-MNOVXSKESA-N 1 1 322.365 1.236 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)Cc1ccccc1 ZINC000595599572 356570408 /nfs/dbraw/zinc/57/04/08/356570408.db2.gz YRDQPWAHTHCERD-CQSZACIVSA-N 1 1 304.350 1.327 20 5 DDBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679782 356607903 /nfs/dbraw/zinc/60/79/03/356607903.db2.gz YCZWQXSMSAQCKQ-SMDDNHRTSA-N 1 1 321.377 1.677 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595728782 356625082 /nfs/dbraw/zinc/62/50/82/356625082.db2.gz OWHMWUFJAAJYAS-OLZOCXBDSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759874 356641220 /nfs/dbraw/zinc/64/12/20/356641220.db2.gz QLCVJRQXWFAFMZ-WBMJQRKESA-N 1 1 319.361 1.892 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596081872 356766076 /nfs/dbraw/zinc/76/60/76/356766076.db2.gz AXYKFFQPWVOZEN-VXGBXAGGSA-N 1 1 304.350 1.732 20 5 DDBDMO COc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596198041 356810581 /nfs/dbraw/zinc/81/05/81/356810581.db2.gz PMDIYUXKIRAFIA-CYBMUJFWSA-N 1 1 315.757 1.735 20 5 DDBDMO C[C@@H]1C[N@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)CO1 ZINC000596431578 356877897 /nfs/dbraw/zinc/87/78/97/356877897.db2.gz PIFUYEXUJBQXSO-GHMZBOCLSA-N 1 1 319.365 1.414 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)CO1 ZINC000596431578 356877899 /nfs/dbraw/zinc/87/78/99/356877899.db2.gz PIFUYEXUJBQXSO-GHMZBOCLSA-N 1 1 319.365 1.414 20 5 DDBDMO Cc1cnc(N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000596269434 356839032 /nfs/dbraw/zinc/83/90/32/356839032.db2.gz UMRPUNFQXXXLPB-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596305882 356852232 /nfs/dbraw/zinc/85/22/32/356852232.db2.gz BXWYJXHZABGSRC-VIFPVBQESA-N 1 1 307.354 1.373 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597574712 357233935 /nfs/dbraw/zinc/23/39/35/357233935.db2.gz GYMOQASUKBQMRM-VXGBXAGGSA-N 1 1 310.329 1.192 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597853903 357358071 /nfs/dbraw/zinc/35/80/71/357358071.db2.gz DKUBLZWZMUGVEF-SNVBAGLBSA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597862296 357362978 /nfs/dbraw/zinc/36/29/78/357362978.db2.gz ZOALUTIAGDDXKF-JTQLQIEISA-N 1 1 322.365 1.546 20 5 DDBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598044189 357440565 /nfs/dbraw/zinc/44/05/65/357440565.db2.gz ZPPHRLJVXGRLSA-CQSZACIVSA-N 1 1 321.377 1.916 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000597920422 357381606 /nfs/dbraw/zinc/38/16/06/357381606.db2.gz BTGHCHBQOPIFOY-SNVBAGLBSA-N 1 1 309.370 1.414 20 5 DDBDMO CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178580368 198891580 /nfs/dbraw/zinc/89/15/80/198891580.db2.gz KQZNJXASPNFUEL-OAHLLOKOSA-N 1 1 304.350 1.884 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598221528 357497733 /nfs/dbraw/zinc/49/77/33/357497733.db2.gz XDGICIKCXTYRMR-LLVKDONJSA-N 1 1 321.381 1.763 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318303 363582930 /nfs/dbraw/zinc/58/29/30/363582930.db2.gz PLZHSRJHYGBEOO-UHFFFAOYSA-N 1 1 305.334 1.449 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000178775955 198929182 /nfs/dbraw/zinc/92/91/82/198929182.db2.gz ZJFCKPPYVIDVQI-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599079328 357808831 /nfs/dbraw/zinc/80/88/31/357808831.db2.gz DPNXININDUOBQN-AWEZNQCLSA-N 1 1 302.334 1.654 20 5 DDBDMO Cc1cc(N2CC(CN3CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000599109926 357818522 /nfs/dbraw/zinc/81/85/22/357818522.db2.gz XXIMYEAYJUAXJS-UHFFFAOYSA-N 1 1 322.384 1.726 20 5 DDBDMO CCC(=O)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175636 357840520 /nfs/dbraw/zinc/84/05/20/357840520.db2.gz FTQBQTUTGZPLRI-GFCCVEGCSA-N 1 1 307.350 1.666 20 5 DDBDMO CCC(=O)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175636 357840522 /nfs/dbraw/zinc/84/05/22/357840522.db2.gz FTQBQTUTGZPLRI-GFCCVEGCSA-N 1 1 307.350 1.666 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2NCC[N@@H+]1CC[C@H](O)C1 ZINC000599200154 357847300 /nfs/dbraw/zinc/84/73/00/357847300.db2.gz YGERDHNGPZXWMQ-NSHDSACASA-N 1 1 302.334 1.622 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599669410 358017379 /nfs/dbraw/zinc/01/73/79/358017379.db2.gz DFVXZAZQBHRICE-BJHJDKERSA-N 1 1 307.350 1.544 20 5 DDBDMO CCc1[nH]nc(C(=O)N(CC)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000599985283 358096655 /nfs/dbraw/zinc/09/66/55/358096655.db2.gz BLZMINCWWUEIQL-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)COCC3CC3)c2c1 ZINC000601108435 358404921 /nfs/dbraw/zinc/40/49/21/358404921.db2.gz HLELXOXVMVYZOH-CYBMUJFWSA-N 1 1 317.345 1.764 20 5 DDBDMO Cc1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000601149865 358422560 /nfs/dbraw/zinc/42/25/60/358422560.db2.gz QXMMEQHGGFJSNU-OAHLLOKOSA-N 1 1 304.350 1.634 20 5 DDBDMO COCCCN(CCO)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601150842 358423397 /nfs/dbraw/zinc/42/33/97/358423397.db2.gz FSWJEKBXQNXJPV-UHFFFAOYSA-N 1 1 305.334 1.978 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601184141 358437521 /nfs/dbraw/zinc/43/75/21/358437521.db2.gz IBULHIBSTHVVAW-CMPLNLGQSA-N 1 1 320.349 1.164 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187314 358439361 /nfs/dbraw/zinc/43/93/61/358439361.db2.gz RIEYBUVVRNGVNR-UHFFFAOYSA-N 1 1 322.365 1.615 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187314 358439362 /nfs/dbraw/zinc/43/93/62/358439362.db2.gz RIEYBUVVRNGVNR-UHFFFAOYSA-N 1 1 322.365 1.615 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601974197 358761256 /nfs/dbraw/zinc/76/12/56/358761256.db2.gz QQYAACCEJOPCBE-PHIMTYICSA-N 1 1 321.333 1.120 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601974197 358761260 /nfs/dbraw/zinc/76/12/60/358761260.db2.gz QQYAACCEJOPCBE-PHIMTYICSA-N 1 1 321.333 1.120 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195460 358876719 /nfs/dbraw/zinc/87/67/19/358876719.db2.gz LSUJJTKVKJUDQE-BLLLJJGKSA-N 1 1 321.377 1.260 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602438184 358976445 /nfs/dbraw/zinc/97/64/45/358976445.db2.gz BPYSNDMSKQZYGG-LBPRGKRZSA-N 1 1 321.381 1.067 20 5 DDBDMO CC(C)C(=O)NC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602440504 358978363 /nfs/dbraw/zinc/97/83/63/358978363.db2.gz PWMNCPKWJKGPJE-UHFFFAOYSA-N 1 1 309.370 1.065 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000602784993 359190169 /nfs/dbraw/zinc/19/01/69/359190169.db2.gz QVMXZSIOTLZBTR-NWDGAFQWSA-N 1 1 312.395 1.306 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000602795300 359197773 /nfs/dbraw/zinc/19/77/73/359197773.db2.gz HUHOLHMXOWNHJD-GXTWGEPZSA-N 1 1 318.381 1.879 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602915330 359292035 /nfs/dbraw/zinc/29/20/35/359292035.db2.gz BAGAUWUFJGUZHV-ZDUSSCGKSA-N 1 1 309.370 1.090 20 5 DDBDMO CCn1nc(C)c(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000602926895 359298984 /nfs/dbraw/zinc/29/89/84/359298984.db2.gz SWBYZZMQHVTPAO-UHFFFAOYSA-N 1 1 306.370 1.757 20 5 DDBDMO CCn1nc(C)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1C ZINC000602926895 359298985 /nfs/dbraw/zinc/29/89/85/359298985.db2.gz SWBYZZMQHVTPAO-UHFFFAOYSA-N 1 1 306.370 1.757 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899261 359280617 /nfs/dbraw/zinc/28/06/17/359280617.db2.gz OYVPQTBVUBQMBM-DGCLKSJQSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602899261 359280621 /nfs/dbraw/zinc/28/06/21/359280621.db2.gz OYVPQTBVUBQMBM-DGCLKSJQSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187675219 200143702 /nfs/dbraw/zinc/14/37/02/200143702.db2.gz IIRBQNMORBKUNW-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187743268 200151994 /nfs/dbraw/zinc/15/19/94/200151994.db2.gz SZKWSCAAEGVIMB-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000359020302 299308851 /nfs/dbraw/zinc/30/88/51/299308851.db2.gz PUAGKZAOZTWVGH-RYUDHWBXSA-N 1 1 321.381 1.748 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000611147069 360637227 /nfs/dbraw/zinc/63/72/27/360637227.db2.gz UFJIKTOPYUKBQZ-CYBMUJFWSA-N 1 1 306.366 1.531 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611261059 360681921 /nfs/dbraw/zinc/68/19/21/360681921.db2.gz IESVIGLCZYKDKA-JTQLQIEISA-N 1 1 324.333 1.607 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274433 360686810 /nfs/dbraw/zinc/68/68/10/360686810.db2.gz CVUBSMRFZZTEEI-UHFFFAOYSA-N 1 1 323.349 1.324 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000611515836 360743048 /nfs/dbraw/zinc/74/30/48/360743048.db2.gz IHXAAVOQUFKQFQ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291878 216215970 /nfs/dbraw/zinc/21/59/70/216215970.db2.gz GXTOBPPXXVPZPQ-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO COCC[N@@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611615838 360776660 /nfs/dbraw/zinc/77/66/60/360776660.db2.gz CDYWEJSEGAYBTN-ZDUSSCGKSA-N 1 1 308.382 1.764 20 5 DDBDMO COCC[N@H+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000611615838 360776665 /nfs/dbraw/zinc/77/66/65/360776665.db2.gz CDYWEJSEGAYBTN-ZDUSSCGKSA-N 1 1 308.382 1.764 20 5 DDBDMO COCC1([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110826 360923312 /nfs/dbraw/zinc/92/33/12/360923312.db2.gz YIYXVOWGQGXLHK-LBPRGKRZSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH+]2CCCCC2)c1 ZINC000194158419 201188328 /nfs/dbraw/zinc/18/83/28/201188328.db2.gz FCWHXPBNTQRETH-UHFFFAOYSA-N 1 1 313.379 1.359 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253066 363946943 /nfs/dbraw/zinc/94/69/43/363946943.db2.gz QYEQFLJPDWXFFL-KBPBESRZSA-N 1 1 307.325 1.853 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000619438225 364008960 /nfs/dbraw/zinc/00/89/60/364008960.db2.gz QQGCTWKSMDFNNA-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCC[N@@H+](C)CC1 ZINC000619479149 364029603 /nfs/dbraw/zinc/02/96/03/364029603.db2.gz XZOQGIDUMBBQGA-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCCN(C)CC1 ZINC000619479149 364029607 /nfs/dbraw/zinc/02/96/07/364029607.db2.gz XZOQGIDUMBBQGA-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1CCCN(C)CC1 ZINC000619479149 364029609 /nfs/dbraw/zinc/02/96/09/364029609.db2.gz XZOQGIDUMBBQGA-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000619566959 364062986 /nfs/dbraw/zinc/06/29/86/364062986.db2.gz CUDBQUSFACCPNA-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO NC(=O)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092754012 193188327 /nfs/dbraw/zinc/18/83/27/193188327.db2.gz JKQQLPCNERKTFS-ZZXKWVIFSA-N 1 1 304.350 1.694 20 5 DDBDMO NC(=O)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092754012 193188329 /nfs/dbraw/zinc/18/83/29/193188329.db2.gz JKQQLPCNERKTFS-ZZXKWVIFSA-N 1 1 304.350 1.694 20 5 DDBDMO CCOc1cc(C[N@H+](CC)[C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000282528797 217064665 /nfs/dbraw/zinc/06/46/65/217064665.db2.gz YWEDEJUJUAUFGE-ZDUSSCGKSA-N 1 1 307.350 1.704 20 5 DDBDMO CCOc1cc(C[N@@H+](CC)[C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000282528797 217064668 /nfs/dbraw/zinc/06/46/68/217064668.db2.gz YWEDEJUJUAUFGE-ZDUSSCGKSA-N 1 1 307.350 1.704 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000266418136 205330727 /nfs/dbraw/zinc/33/07/27/205330727.db2.gz PDQDLBBEIAIUMO-CQSZACIVSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCOCC1 ZINC000267558124 206142957 /nfs/dbraw/zinc/14/29/57/206142957.db2.gz ABJBLEFODYHPGX-BLLLJJGKSA-N 1 1 323.368 1.886 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCOCC1 ZINC000267558124 206142961 /nfs/dbraw/zinc/14/29/61/206142961.db2.gz ABJBLEFODYHPGX-BLLLJJGKSA-N 1 1 323.368 1.886 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000273927766 211181877 /nfs/dbraw/zinc/18/18/77/211181877.db2.gz FDVOHMWQQDBROA-CYBMUJFWSA-N 1 1 304.350 1.631 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000273927766 211181880 /nfs/dbraw/zinc/18/18/80/211181880.db2.gz FDVOHMWQQDBROA-CYBMUJFWSA-N 1 1 304.350 1.631 20 5 DDBDMO Cc1cc(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000284823631 218194006 /nfs/dbraw/zinc/19/40/06/218194006.db2.gz OLYUCIGKHNTJMD-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000567438728 304219042 /nfs/dbraw/zinc/21/90/42/304219042.db2.gz DPCOCUXGBZUHJR-LBPRGKRZSA-N 1 1 306.366 1.680 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000159407503 197351376 /nfs/dbraw/zinc/35/13/76/197351376.db2.gz CXWFNGLQGBDAKS-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+](C)C1CC1 ZINC000057706789 184047915 /nfs/dbraw/zinc/04/79/15/184047915.db2.gz AECBYLULQWFWTM-QMMMGPOBSA-N 1 1 310.329 1.529 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340904193 251267100 /nfs/dbraw/zinc/26/71/00/251267100.db2.gz JAGOJEHLMOKFGU-CMPLNLGQSA-N 1 1 323.349 1.387 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917678 251275659 /nfs/dbraw/zinc/27/56/59/251275659.db2.gz UWDBFHJLMILHSN-SKDRFNHKSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917678 251275661 /nfs/dbraw/zinc/27/56/61/251275661.db2.gz UWDBFHJLMILHSN-SKDRFNHKSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000340921185 251278354 /nfs/dbraw/zinc/27/83/54/251278354.db2.gz XLEBANITEIXGNR-ZYHUDNBSSA-N 1 1 321.333 1.348 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330897541 532958177 /nfs/dbraw/zinc/95/81/77/532958177.db2.gz MDMUOFJSWFLSLP-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330897541 532958179 /nfs/dbraw/zinc/95/81/79/532958179.db2.gz MDMUOFJSWFLSLP-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352395829 285021094 /nfs/dbraw/zinc/02/10/94/285021094.db2.gz RTKNHZDJUNRNMX-UHFFFAOYSA-N 1 1 313.354 1.513 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](CCO)CC1CC1 ZINC000352459517 285064400 /nfs/dbraw/zinc/06/44/00/285064400.db2.gz ZUCQIVCFBAREPF-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1cccn1 ZINC000352545621 285130799 /nfs/dbraw/zinc/13/07/99/285130799.db2.gz YSGPKOGIOJBVIV-AWEZNQCLSA-N 1 1 304.350 1.327 20 5 DDBDMO C[C@@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140696 533126495 /nfs/dbraw/zinc/12/64/95/533126495.db2.gz QJVVFHKGURGKJK-ABAIWWIYSA-N 1 1 324.356 1.999 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352660393 285204580 /nfs/dbraw/zinc/20/45/80/285204580.db2.gz NUEHBPXFQUBLAS-WCQYABFASA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc([S@@](C)=O)cc1 ZINC000360211953 299615767 /nfs/dbraw/zinc/61/57/67/299615767.db2.gz HJUCOAFYFVMDQZ-MLMJSJRWSA-N 1 1 322.390 1.917 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293037213 533328590 /nfs/dbraw/zinc/32/85/90/533328590.db2.gz GSXKKSCTWHLNOF-SMDDNHRTSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293037213 533328598 /nfs/dbraw/zinc/32/85/98/533328598.db2.gz GSXKKSCTWHLNOF-SMDDNHRTSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000444366720 533413005 /nfs/dbraw/zinc/41/30/05/533413005.db2.gz YBHCDAWBFGPAFJ-NSHDSACASA-N 1 1 319.361 1.984 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451578520 533415483 /nfs/dbraw/zinc/41/54/83/533415483.db2.gz XKIGOQXZHCKPGW-QMTHXVAHSA-N 1 1 307.350 1.551 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330895785 533604171 /nfs/dbraw/zinc/60/41/71/533604171.db2.gz GJWAYHMYYYVHRG-NEPJUHHUSA-N 1 1 307.350 1.573 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069144137 406685926 /nfs/dbraw/zinc/68/59/26/406685926.db2.gz MYWPHWZTMVBVMX-NSHDSACASA-N 1 1 314.363 1.270 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070076799 406808352 /nfs/dbraw/zinc/80/83/52/406808352.db2.gz NAGMLVVUHBZQQK-PHIMTYICSA-N 1 1 313.379 1.107 20 5 DDBDMO O=C(C[N@@H+](CCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071955959 406870782 /nfs/dbraw/zinc/87/07/82/406870782.db2.gz DKJUIUKOQYWEIX-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO O=C(C[N@H+](CCO)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071955959 406870784 /nfs/dbraw/zinc/87/07/84/406870784.db2.gz DKJUIUKOQYWEIX-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCO1 ZINC000076298339 406962628 /nfs/dbraw/zinc/96/26/28/406962628.db2.gz VTAZPNRMEIQSHW-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCO1 ZINC000076298339 406962629 /nfs/dbraw/zinc/96/26/29/406962629.db2.gz VTAZPNRMEIQSHW-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000077961065 407016297 /nfs/dbraw/zinc/01/62/97/407016297.db2.gz TXJVFRBPLSWCIB-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153783 407125528 /nfs/dbraw/zinc/12/55/28/407125528.db2.gz LMICUORNKNXPPL-JKSUJKDBSA-N 1 1 322.361 1.853 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153783 407125531 /nfs/dbraw/zinc/12/55/31/407125531.db2.gz LMICUORNKNXPPL-JKSUJKDBSA-N 1 1 322.361 1.853 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000089205057 407126469 /nfs/dbraw/zinc/12/64/69/407126469.db2.gz YFOOVIBRUHPNEI-LBPRGKRZSA-N 1 1 319.321 1.130 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000089205057 407126472 /nfs/dbraw/zinc/12/64/72/407126472.db2.gz YFOOVIBRUHPNEI-LBPRGKRZSA-N 1 1 319.321 1.130 20 5 DDBDMO CCn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000093534298 407198155 /nfs/dbraw/zinc/19/81/55/407198155.db2.gz NTJHNDRUDUGJSU-CYBMUJFWSA-N 1 1 316.365 1.893 20 5 DDBDMO CCn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000093534298 407198157 /nfs/dbraw/zinc/19/81/57/407198157.db2.gz NTJHNDRUDUGJSU-CYBMUJFWSA-N 1 1 316.365 1.893 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000097617569 407300507 /nfs/dbraw/zinc/30/05/07/407300507.db2.gz SPELIZLIYXGCQL-UHFFFAOYSA-N 1 1 306.366 1.439 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159768 407407305 /nfs/dbraw/zinc/40/73/05/407407305.db2.gz DBVNIYMGBRDROW-FBWDIHGXSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159768 407407306 /nfs/dbraw/zinc/40/73/06/407407306.db2.gz DBVNIYMGBRDROW-FBWDIHGXSA-N 1 1 300.380 1.327 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000270983037 407451237 /nfs/dbraw/zinc/45/12/37/407451237.db2.gz ADWGACYCJSBJLQ-ZDUSSCGKSA-N 1 1 320.324 1.350 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000270983037 407451241 /nfs/dbraw/zinc/45/12/41/407451241.db2.gz ADWGACYCJSBJLQ-ZDUSSCGKSA-N 1 1 320.324 1.350 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114063715 407539504 /nfs/dbraw/zinc/53/95/04/407539504.db2.gz JVBSHHDAPHXZRD-LLVKDONJSA-N 1 1 323.349 1.299 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114063715 407539505 /nfs/dbraw/zinc/53/95/05/407539505.db2.gz JVBSHHDAPHXZRD-LLVKDONJSA-N 1 1 323.349 1.299 20 5 DDBDMO CC[N@@H+](CCCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000266872381 407656133 /nfs/dbraw/zinc/65/61/33/407656133.db2.gz QRCFISAXBPLACO-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+]2CCC1CC2 ZINC000116556281 407763107 /nfs/dbraw/zinc/76/31/07/407763107.db2.gz ZFLOFDWAOUVCPH-UHFFFAOYSA-N 1 1 315.333 1.391 20 5 DDBDMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187436492 407857602 /nfs/dbraw/zinc/85/76/02/407857602.db2.gz DZQTUDSYOUPWEN-WFASDCNBSA-N 1 1 321.377 1.950 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153599419 407857844 /nfs/dbraw/zinc/85/78/44/407857844.db2.gz XZLWSHYLQXHSPL-HNNXBMFYSA-N 1 1 305.334 1.306 20 5 DDBDMO Cc1c(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796336 407871166 /nfs/dbraw/zinc/87/11/66/407871166.db2.gz ZJVYPMFOOOKJHT-WFASDCNBSA-N 1 1 321.377 1.281 20 5 DDBDMO Cc1c(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796336 407871171 /nfs/dbraw/zinc/87/11/71/407871171.db2.gz ZJVYPMFOOOKJHT-WFASDCNBSA-N 1 1 321.377 1.281 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177655 407930346 /nfs/dbraw/zinc/93/03/46/407930346.db2.gz KWSHIZRJLPPIEF-NHYWBVRUSA-N 1 1 319.361 1.573 20 5 DDBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000135561188 408030897 /nfs/dbraw/zinc/03/08/97/408030897.db2.gz NVECDCTZMCOIPT-GFCCVEGCSA-N 1 1 304.354 1.534 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000273084929 408050222 /nfs/dbraw/zinc/05/02/22/408050222.db2.gz YOOSLURCAYKTKK-UMVBOHGHSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000273084929 408050227 /nfs/dbraw/zinc/05/02/27/408050227.db2.gz YOOSLURCAYKTKK-UMVBOHGHSA-N 1 1 322.361 1.588 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189636336 408069113 /nfs/dbraw/zinc/06/91/13/408069113.db2.gz HVNWALKQKDPUCI-INIZCTEOSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242480 408104158 /nfs/dbraw/zinc/10/41/58/408104158.db2.gz LTJHUTQBLAQSHH-RDBSUJKOSA-N 1 1 324.377 1.570 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190403194 408237460 /nfs/dbraw/zinc/23/74/60/408237460.db2.gz YBIRJTVNFNXFHY-QMTHXVAHSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000190403194 408237468 /nfs/dbraw/zinc/23/74/68/408237468.db2.gz YBIRJTVNFNXFHY-QMTHXVAHSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000156654767 408270693 /nfs/dbraw/zinc/27/06/93/408270693.db2.gz FIMBZDGVSAXHPG-RNCFNFMXSA-N 1 1 317.349 1.671 20 5 DDBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210422 408308519 /nfs/dbraw/zinc/30/85/19/408308519.db2.gz SIZWUWPDOLROML-ZDUSSCGKSA-N 1 1 321.381 1.030 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1C[C@H](C)O ZINC000246785071 408337793 /nfs/dbraw/zinc/33/77/93/408337793.db2.gz JAQKOEHUGGLUBW-WDEREUQCSA-N 1 1 311.338 1.105 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C[C@H](C)O ZINC000246785071 408337797 /nfs/dbraw/zinc/33/77/97/408337797.db2.gz JAQKOEHUGGLUBW-WDEREUQCSA-N 1 1 311.338 1.105 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134893625 162090926 /nfs/dbraw/zinc/09/09/26/162090926.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000134893625 162090939 /nfs/dbraw/zinc/09/09/39/162090939.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 1 1 319.409 1.740 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)n1 ZINC000134893625 162090941 /nfs/dbraw/zinc/09/09/41/162090941.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 1 1 319.409 1.740 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000183225449 408360488 /nfs/dbraw/zinc/36/04/88/408360488.db2.gz QQHCYTHPSTUFMN-DYEKYZERSA-N 1 1 310.350 1.037 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000171268651 162211189 /nfs/dbraw/zinc/21/11/89/162211189.db2.gz ZVQQJKGEKXIQBQ-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO Nc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000191394010 408418322 /nfs/dbraw/zinc/41/83/22/408418322.db2.gz JKBLPJRMBAVKQI-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000264456513 408497499 /nfs/dbraw/zinc/49/74/99/408497499.db2.gz DMGOSDSNEXQLDJ-CYBMUJFWSA-N 1 1 307.350 1.354 20 5 DDBDMO Cc1ccc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000269913048 408466652 /nfs/dbraw/zinc/46/66/52/408466652.db2.gz IRUXMTHNEDNLKR-CYBMUJFWSA-N 1 1 306.366 1.655 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000270544376 408572050 /nfs/dbraw/zinc/57/20/50/408572050.db2.gz LRVNQMSLOGHYKL-ZDUSSCGKSA-N 1 1 318.333 1.116 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000270544376 408572054 /nfs/dbraw/zinc/57/20/54/408572054.db2.gz LRVNQMSLOGHYKL-ZDUSSCGKSA-N 1 1 318.333 1.116 20 5 DDBDMO CCOC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000177296157 408572642 /nfs/dbraw/zinc/57/26/42/408572642.db2.gz JJVTUTMLAIDIPI-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO CCOC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000177296157 408572645 /nfs/dbraw/zinc/57/26/45/408572645.db2.gz JJVTUTMLAIDIPI-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184246876 408578058 /nfs/dbraw/zinc/57/80/58/408578058.db2.gz FQIABSMWUNWUCY-SECBINFHSA-N 1 1 314.313 1.983 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184246876 408578059 /nfs/dbraw/zinc/57/80/59/408578059.db2.gz FQIABSMWUNWUCY-SECBINFHSA-N 1 1 314.313 1.983 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1C ZINC000275387152 408588164 /nfs/dbraw/zinc/58/81/64/408588164.db2.gz PYSWOEPDMHWHBM-NEPJUHHUSA-N 1 1 320.393 1.454 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000265241406 408589111 /nfs/dbraw/zinc/58/91/11/408589111.db2.gz TZVPLAZGSQHVPX-UHFFFAOYSA-N 1 1 307.394 1.873 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000192530701 408604809 /nfs/dbraw/zinc/60/48/09/408604809.db2.gz YXKAWHLWYPCZKV-PHIMTYICSA-N 1 1 305.334 1.237 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265612250 408713925 /nfs/dbraw/zinc/71/39/25/408713925.db2.gz XFWGKTAISRHZCV-JTQLQIEISA-N 1 1 311.769 1.859 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275845690 408694660 /nfs/dbraw/zinc/69/46/60/408694660.db2.gz KKNYDTCOAQUYMX-IHRRRGAJSA-N 1 1 324.377 1.570 20 5 DDBDMO CCN(C)C(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000185181743 408776077 /nfs/dbraw/zinc/77/60/77/408776077.db2.gz XRROVCPNALPDIM-UHFFFAOYSA-N 1 1 317.292 1.764 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280876161 408851215 /nfs/dbraw/zinc/85/12/15/408851215.db2.gz ZUNTWEIMAUDJGS-BMIGLBTASA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014911 408907034 /nfs/dbraw/zinc/90/70/34/408907034.db2.gz PPOATBOMPSLUMF-YPMHNXCESA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000286014911 408907038 /nfs/dbraw/zinc/90/70/38/408907038.db2.gz PPOATBOMPSLUMF-YPMHNXCESA-N 1 1 311.407 1.951 20 5 DDBDMO C[N@H+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281825346 408935316 /nfs/dbraw/zinc/93/53/16/408935316.db2.gz RKSCWGFCPOZIRP-UHFFFAOYSA-N 1 1 320.393 1.351 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000194747260 163295456 /nfs/dbraw/zinc/29/54/56/163295456.db2.gz DXWIZJDRNLQLCR-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291959780 408953290 /nfs/dbraw/zinc/95/32/90/408953290.db2.gz UYOJFZNODAWIDG-NSHDSACASA-N 1 1 316.304 1.923 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291992234 408957680 /nfs/dbraw/zinc/95/76/80/408957680.db2.gz WXKLQIDYYJDNME-ZIAGYGMSSA-N 1 1 324.377 1.834 20 5 DDBDMO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000277617362 408978426 /nfs/dbraw/zinc/97/84/26/408978426.db2.gz ADNFXSRZVMCBTR-OAHLLOKOSA-N 1 1 324.381 1.989 20 5 DDBDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000277617362 408978429 /nfs/dbraw/zinc/97/84/29/408978429.db2.gz ADNFXSRZVMCBTR-OAHLLOKOSA-N 1 1 324.381 1.989 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000277690965 408993337 /nfs/dbraw/zinc/99/33/37/408993337.db2.gz KJIPTQYKDIIJQM-GHMZBOCLSA-N 1 1 307.354 1.237 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1 ZINC000277721546 408999035 /nfs/dbraw/zinc/99/90/35/408999035.db2.gz JFNYJKUPLUQVRD-ONGXEEELSA-N 1 1 322.287 1.427 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000278396866 409079872 /nfs/dbraw/zinc/07/98/72/409079872.db2.gz KLLBGAVFSSVIRG-SECBINFHSA-N 1 1 307.354 1.261 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@H]2C1 ZINC000278808857 409093728 /nfs/dbraw/zinc/09/37/28/409093728.db2.gz RYVWGAANUJAYKW-TXEJJXNPSA-N 1 1 316.361 1.477 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000284201005 409295381 /nfs/dbraw/zinc/29/53/81/409295381.db2.gz ZOQJEOBCJYYYOO-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280663287 409398239 /nfs/dbraw/zinc/39/82/39/409398239.db2.gz XJELVUZLNZKSSV-UHFFFAOYSA-N 1 1 321.377 1.836 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295524768 409331379 /nfs/dbraw/zinc/33/13/79/409331379.db2.gz UXHVKJXAAKGJDT-AWEZNQCLSA-N 1 1 310.350 1.444 20 5 DDBDMO NC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000317043684 164025529 /nfs/dbraw/zinc/02/55/29/164025529.db2.gz VBVFLVVBINSNDH-NWDGAFQWSA-N 1 1 304.350 1.732 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408128960 164236477 /nfs/dbraw/zinc/23/64/77/164236477.db2.gz MLEWTVLSYRLYIP-ONGXEEELSA-N 1 1 309.370 1.049 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(CO)CC1 ZINC000285555271 409486357 /nfs/dbraw/zinc/48/63/57/409486357.db2.gz RDZDRCUEJWZSDB-UHFFFAOYSA-N 1 1 311.313 1.519 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000353914488 409558386 /nfs/dbraw/zinc/55/83/86/409558386.db2.gz RSCQQWDXOVVLKO-HNNXBMFYSA-N 1 1 322.365 1.345 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000345043249 409602036 /nfs/dbraw/zinc/60/20/36/409602036.db2.gz GIYCFNXHGKJRRY-SNVBAGLBSA-N 1 1 314.773 1.536 20 5 DDBDMO COc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331591936 409670010 /nfs/dbraw/zinc/67/00/10/409670010.db2.gz XZBUEQYHXSLZJN-WDEREUQCSA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1cc(C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000354128889 409679743 /nfs/dbraw/zinc/67/97/43/409679743.db2.gz MJOVLWRMBJYQMJ-UHFFFAOYSA-N 1 1 317.349 1.914 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406687 409831952 /nfs/dbraw/zinc/83/19/52/409831952.db2.gz VZSMNDUYQDIFAZ-KOLCDFICSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406687 409831961 /nfs/dbraw/zinc/83/19/61/409831961.db2.gz VZSMNDUYQDIFAZ-KOLCDFICSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406687 409831970 /nfs/dbraw/zinc/83/19/70/409831970.db2.gz VZSMNDUYQDIFAZ-KOLCDFICSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H]1C ZINC000354439066 409855172 /nfs/dbraw/zinc/85/51/72/409855172.db2.gz UXKSYRABUQQWQD-RYUDHWBXSA-N 1 1 308.382 1.878 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346144006 409817263 /nfs/dbraw/zinc/81/72/63/409817263.db2.gz UCIWFUGLJSCOKH-MNOVXSKESA-N 1 1 323.397 1.873 20 5 DDBDMO C[C@H]1COCCN1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379988 409949490 /nfs/dbraw/zinc/94/94/90/409949490.db2.gz QUMJPYBBQCMTDQ-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000346689214 410087003 /nfs/dbraw/zinc/08/70/03/410087003.db2.gz PRGSEHPLZGKLQR-LBPRGKRZSA-N 1 1 311.357 1.622 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)C1 ZINC000298085337 410105529 /nfs/dbraw/zinc/10/55/29/410105529.db2.gz HDSOPHLPDZHQMR-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO C[N@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000298089937 410108137 /nfs/dbraw/zinc/10/81/37/410108137.db2.gz RJBJEIOWGIQLIK-UHFFFAOYSA-N 1 1 318.377 1.121 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000332693280 410218918 /nfs/dbraw/zinc/21/89/18/410218918.db2.gz KTXXPPULRSOSED-LLVKDONJSA-N 1 1 309.370 1.051 20 5 DDBDMO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343437277 410452031 /nfs/dbraw/zinc/45/20/31/410452031.db2.gz KYKOCKJMZVDLRB-IINYFYTJSA-N 1 1 309.341 1.875 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343441162 410455055 /nfs/dbraw/zinc/45/50/55/410455055.db2.gz BXNVMZSQHMQHPT-FZMZJTMJSA-N 1 1 307.350 1.573 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000299082752 410511606 /nfs/dbraw/zinc/51/16/06/410511606.db2.gz SJGDPFMKMXLCLH-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358684547 410522978 /nfs/dbraw/zinc/52/29/78/410522978.db2.gz FBULVBWFDRQWFI-UHFFFAOYSA-N 1 1 317.349 1.908 20 5 DDBDMO Cc1c(NC(=O)CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000359305461 410591729 /nfs/dbraw/zinc/59/17/29/410591729.db2.gz LCIQGKZSBDLDPQ-CHWSQXEVSA-N 1 1 318.377 1.383 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000355500522 410550178 /nfs/dbraw/zinc/55/01/78/410550178.db2.gz DRVDVUKZJLVDLR-CYBMUJFWSA-N 1 1 320.393 1.873 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301096449 410654514 /nfs/dbraw/zinc/65/45/14/410654514.db2.gz GSZWSEQOBOPSSZ-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301296405 410692288 /nfs/dbraw/zinc/69/22/88/410692288.db2.gz SHNKJUOUYMRSQE-LBPRGKRZSA-N 1 1 324.429 1.322 20 5 DDBDMO CCc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301917196 410829925 /nfs/dbraw/zinc/82/99/25/410829925.db2.gz ANWRBMXTBASLGS-OBJOEFQTSA-N 1 1 319.409 1.811 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301915425 410830981 /nfs/dbraw/zinc/83/09/81/410830981.db2.gz ISDNIPOFSDPNDM-NSHDSACASA-N 1 1 304.354 1.781 20 5 DDBDMO COc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000301943196 410832702 /nfs/dbraw/zinc/83/27/02/410832702.db2.gz XYMNQXUWVUXUFE-JSGCOSHPSA-N 1 1 311.313 1.262 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522943 410998995 /nfs/dbraw/zinc/99/89/95/410998995.db2.gz AQSBBLMXRRVNSX-RYUDHWBXSA-N 1 1 307.350 1.559 20 5 DDBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2C1 ZINC000348649270 411049077 /nfs/dbraw/zinc/04/90/77/411049077.db2.gz AXFHPZXXZOROBY-UHFFFAOYSA-N 1 1 322.350 1.405 20 5 DDBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2C1 ZINC000348649270 411049080 /nfs/dbraw/zinc/04/90/80/411049080.db2.gz AXFHPZXXZOROBY-UHFFFAOYSA-N 1 1 322.350 1.405 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(O)CCC1 ZINC000353484550 411021018 /nfs/dbraw/zinc/02/10/18/411021018.db2.gz QPVRBGQVLLGUAT-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)C1 ZINC000488756841 416560638 /nfs/dbraw/zinc/56/06/38/416560638.db2.gz WXUHWAPJSSCJHP-DCAQKATOSA-N 1 1 306.370 1.134 20 5 DDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCCn3ccnc3)C2)c1 ZINC000373581164 418442440 /nfs/dbraw/zinc/44/24/40/418442440.db2.gz DLFGYDZYNYUHGP-ZDUSSCGKSA-N 1 1 304.354 1.715 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CCN(C)C)CC1 ZINC000360890904 418541250 /nfs/dbraw/zinc/54/12/50/418541250.db2.gz CTNLHQPBCKDELI-UHFFFAOYSA-N 1 1 324.429 1.558 20 5 DDBDMO COc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000194462061 418544103 /nfs/dbraw/zinc/54/41/03/418544103.db2.gz GTLDMZAERZSTKV-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954384 418553078 /nfs/dbraw/zinc/55/30/78/418553078.db2.gz MMZGEIXVVCUSKK-GHMZBOCLSA-N 1 1 318.377 1.992 20 5 DDBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188692616 222020649 /nfs/dbraw/zinc/02/06/49/222020649.db2.gz GYCASGNIAISKSD-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188692616 222020655 /nfs/dbraw/zinc/02/06/55/222020655.db2.gz GYCASGNIAISKSD-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367399649 418596717 /nfs/dbraw/zinc/59/67/17/418596717.db2.gz AOGMOZPJWIFKJD-HNNXBMFYSA-N 1 1 321.377 1.510 20 5 DDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000371866469 418822309 /nfs/dbraw/zinc/82/23/09/418822309.db2.gz LCMOWYPJBBJYGM-JTQLQIEISA-N 1 1 317.353 1.395 20 5 DDBDMO NC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411153233 418874430 /nfs/dbraw/zinc/87/44/30/418874430.db2.gz IESOLRNITRKAHF-ZDUSSCGKSA-N 1 1 320.349 1.263 20 5 DDBDMO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280821 418851005 /nfs/dbraw/zinc/85/10/05/418851005.db2.gz GGUXTZHUNZNGBI-CHWSQXEVSA-N 1 1 323.397 1.685 20 5 DDBDMO CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372280821 418851008 /nfs/dbraw/zinc/85/10/08/418851008.db2.gz GGUXTZHUNZNGBI-CHWSQXEVSA-N 1 1 323.397 1.685 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000411511612 418910882 /nfs/dbraw/zinc/91/08/82/418910882.db2.gz ZDSQPOBWDZISAM-HNNXBMFYSA-N 1 1 323.349 1.007 20 5 DDBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425049088 228355260 /nfs/dbraw/zinc/35/52/60/228355260.db2.gz DLMOYBAQPGNCMV-GXTWGEPZSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1CCO ZINC000426236889 419418858 /nfs/dbraw/zinc/41/88/58/419418858.db2.gz KHAXXHFZYIQLHJ-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000426236889 419418870 /nfs/dbraw/zinc/41/88/70/419418870.db2.gz KHAXXHFZYIQLHJ-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000426254375 419422635 /nfs/dbraw/zinc/42/26/35/419422635.db2.gz DZLRASKILOYYJZ-GXTWGEPZSA-N 1 1 310.350 1.181 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411951941 419519865 /nfs/dbraw/zinc/51/98/65/419519865.db2.gz PEZIPJGGACUOIU-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000418122951 419554551 /nfs/dbraw/zinc/55/45/51/419554551.db2.gz YGKIXUWHGVKXNG-KGLIPLIRSA-N 1 1 307.394 1.790 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411940633 419507883 /nfs/dbraw/zinc/50/78/83/419507883.db2.gz KNPVQLVNMGVLMH-SNVBAGLBSA-N 1 1 318.333 1.646 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412040782 419581947 /nfs/dbraw/zinc/58/19/47/419581947.db2.gz KOTBOXWRTBVDEL-XBFCOCLRSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H](O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101485 419662401 /nfs/dbraw/zinc/66/24/01/419662401.db2.gz WZXDFPRIFFUEST-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000412101485 419662405 /nfs/dbraw/zinc/66/24/05/419662405.db2.gz WZXDFPRIFFUEST-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091201 419647596 /nfs/dbraw/zinc/64/75/96/419647596.db2.gz QOUIBIVHRKSJPV-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000412091201 419647601 /nfs/dbraw/zinc/64/76/01/419647601.db2.gz QOUIBIVHRKSJPV-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO CC(C)c1ccc(C[NH2+]C[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414961082 419892303 /nfs/dbraw/zinc/89/23/03/419892303.db2.gz IHJBWWSXLYMDSE-AWEZNQCLSA-N 1 1 306.410 1.711 20 5 DDBDMO CC(C)(C)[C@@H](C[NH3+])NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420360304 420234867 /nfs/dbraw/zinc/23/48/67/420234867.db2.gz LACLCCRHBGYHNP-CYBMUJFWSA-N 1 1 308.382 1.886 20 5 DDBDMO C[N@H+]1CC[C@](O)(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228307 420250616 /nfs/dbraw/zinc/25/06/16/420250616.db2.gz OJZOZNGWYMZMKJ-RDJZCZTQSA-N 1 1 319.405 1.973 20 5 DDBDMO CN1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228307 420250619 /nfs/dbraw/zinc/25/06/19/420250619.db2.gz OJZOZNGWYMZMKJ-RDJZCZTQSA-N 1 1 319.405 1.973 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288731 420309167 /nfs/dbraw/zinc/30/91/67/420309167.db2.gz DOQBJUWSBCELLG-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288731 420309169 /nfs/dbraw/zinc/30/91/69/420309169.db2.gz DOQBJUWSBCELLG-NXEZZACHSA-N 1 1 313.379 1.183 20 5 DDBDMO Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444745340 230129709 /nfs/dbraw/zinc/12/97/09/230129709.db2.gz QRQUEXMIRRWIMM-AWEZNQCLSA-N 1 1 322.340 1.732 20 5 DDBDMO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457065493 420600163 /nfs/dbraw/zinc/60/01/63/420600163.db2.gz XIXGAXWIGCOLBZ-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457065493 420600165 /nfs/dbraw/zinc/60/01/65/420600165.db2.gz XIXGAXWIGCOLBZ-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450953315 420569317 /nfs/dbraw/zinc/56/93/17/420569317.db2.gz XWHBCPSEZLDHNX-UHFFFAOYSA-N 1 1 307.354 1.375 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000453046878 420707285 /nfs/dbraw/zinc/70/72/85/420707285.db2.gz YRHOZWOCLGIWTF-RBSFLKMASA-N 1 1 306.366 1.273 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000493867056 420961324 /nfs/dbraw/zinc/96/13/24/420961324.db2.gz DXDULVNLEWDGIB-JMCXLMSJSA-N 1 1 301.346 1.628 20 5 DDBDMO CNc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455613540 421044084 /nfs/dbraw/zinc/04/40/84/421044084.db2.gz NMCYNRGQIZQYGM-LLVKDONJSA-N 1 1 319.365 1.340 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000455329565 420997263 /nfs/dbraw/zinc/99/72/63/420997263.db2.gz JOEUUJHOAXZLIL-RNCFNFMXSA-N 1 1 308.313 1.902 20 5 DDBDMO COc1ccc(CNC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449390791 421005031 /nfs/dbraw/zinc/00/50/31/421005031.db2.gz WVPKZKXSNPGFHO-AWEZNQCLSA-N 1 1 323.393 1.540 20 5 DDBDMO COc1ccc(CNC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000449390791 421005032 /nfs/dbraw/zinc/00/50/32/421005032.db2.gz WVPKZKXSNPGFHO-AWEZNQCLSA-N 1 1 323.393 1.540 20 5 DDBDMO Cc1nc(NC(C)(C)CCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000450460177 421200418 /nfs/dbraw/zinc/20/04/18/421200418.db2.gz NACCUUHTEAGUHH-UHFFFAOYSA-N 1 1 322.413 1.521 20 5 DDBDMO COc1cc(CNCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000525800679 421302438 /nfs/dbraw/zinc/30/24/38/421302438.db2.gz HDHGBZVIEKDJTN-LLVKDONJSA-N 1 1 309.366 1.740 20 5 DDBDMO COc1cc(C[NH2+]CCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000525800679 421302442 /nfs/dbraw/zinc/30/24/42/421302442.db2.gz HDHGBZVIEKDJTN-LLVKDONJSA-N 1 1 309.366 1.740 20 5 DDBDMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000562302205 421350461 /nfs/dbraw/zinc/35/04/61/421350461.db2.gz VLQWCSQZLHUGHS-FPMFFAJLSA-N 1 1 303.362 1.718 20 5 DDBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000566467334 421606074 /nfs/dbraw/zinc/60/60/74/421606074.db2.gz VVEUIIFKMWEJEA-LLVKDONJSA-N 1 1 321.381 1.586 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000530623255 421610310 /nfs/dbraw/zinc/61/03/10/421610310.db2.gz JFWGETQCAYPRNR-NSHDSACASA-N 1 1 322.287 1.835 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000530623255 421610313 /nfs/dbraw/zinc/61/03/13/421610313.db2.gz JFWGETQCAYPRNR-NSHDSACASA-N 1 1 322.287 1.835 20 5 DDBDMO CNc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000537361681 421727771 /nfs/dbraw/zinc/72/77/71/421727771.db2.gz CJSQRQPBDGBKLJ-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000557071812 421759134 /nfs/dbraw/zinc/75/91/34/421759134.db2.gz QIGIMNNMWVROEC-SNVBAGLBSA-N 1 1 307.354 1.264 20 5 DDBDMO O=[N+]([O-])c1cccc(CNc2cc[nH+]c(N3CCOCC3)n2)c1 ZINC000541836621 421807963 /nfs/dbraw/zinc/80/79/63/421807963.db2.gz AHZRTUAUPUWNDG-UHFFFAOYSA-N 1 1 315.333 1.834 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141265 421833551 /nfs/dbraw/zinc/83/35/51/421833551.db2.gz USEHCVPIPDLEBB-MELADBBJSA-N 1 1 324.377 1.427 20 5 DDBDMO NC(=O)c1cccc(NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000557688348 421788092 /nfs/dbraw/zinc/78/80/92/421788092.db2.gz BBOTWSNJKSNDNO-UHFFFAOYSA-N 1 1 315.333 1.839 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000581056288 421890576 /nfs/dbraw/zinc/89/05/76/421890576.db2.gz KPJHDKVUXOHWBG-CQSZACIVSA-N 1 1 314.345 1.720 20 5 DDBDMO CCc1n[nH]c(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697415 422004344 /nfs/dbraw/zinc/00/43/44/422004344.db2.gz SWTQUTIBHGJOJS-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)N2[C@H](C)CN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697415 422004346 /nfs/dbraw/zinc/00/43/46/422004346.db2.gz SWTQUTIBHGJOJS-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697415 422004366 /nfs/dbraw/zinc/00/43/66/422004366.db2.gz SWTQUTIBHGJOJS-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697415 422004370 /nfs/dbraw/zinc/00/43/70/422004370.db2.gz SWTQUTIBHGJOJS-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000599175676 422404362 /nfs/dbraw/zinc/40/43/62/422404362.db2.gz HNEOJGJYVNLVJP-CYBMUJFWSA-N 1 1 302.334 1.622 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000341717922 271185617 /nfs/dbraw/zinc/18/56/17/271185617.db2.gz YHYYTXDXFNHWEJ-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044939 271938675 /nfs/dbraw/zinc/93/86/75/271938675.db2.gz XVGBWYJJIGANLG-NILFDRSVSA-N 1 1 319.361 1.626 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153797646 273724822 /nfs/dbraw/zinc/72/48/22/273724822.db2.gz CNBWWPNGLSFMKT-LLVKDONJSA-N 1 1 314.773 1.536 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000449122698 278298816 /nfs/dbraw/zinc/29/88/16/278298816.db2.gz MKUYDOOLXQNXFS-GJZGRUSLSA-N 1 1 320.437 1.751 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362077234 300001389 /nfs/dbraw/zinc/00/13/89/300001389.db2.gz MZTZSQYNALTNMR-RYUDHWBXSA-N 1 1 307.350 1.484 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368587737 301058455 /nfs/dbraw/zinc/05/84/55/301058455.db2.gz DRYJEIJFSCZHAM-BBRMVZONSA-N 1 1 317.389 1.998 20 5 DDBDMO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368998919 301117553 /nfs/dbraw/zinc/11/75/53/301117553.db2.gz CGPOCFCRLDOILB-NSHDSACASA-N 1 1 309.370 1.343 20 5 DDBDMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368998919 301117554 /nfs/dbraw/zinc/11/75/54/301117554.db2.gz CGPOCFCRLDOILB-NSHDSACASA-N 1 1 309.370 1.343 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000370166708 301286911 /nfs/dbraw/zinc/28/69/11/301286911.db2.gz ZQLKEXBMJOHHLD-KOLCDFICSA-N 1 1 307.354 1.094 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1[N+](=O)[O-] ZINC000370166710 301287013 /nfs/dbraw/zinc/28/70/13/301287013.db2.gz ZQLKEXBMJOHHLD-ONGXEEELSA-N 1 1 307.354 1.094 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376034706 302027996 /nfs/dbraw/zinc/02/79/96/302027996.db2.gz MDQJISUIVLKWBF-DUVNUKRYSA-N 1 1 322.361 1.445 20 5 DDBDMO Cc1c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cnn1C ZINC000535072397 303343858 /nfs/dbraw/zinc/34/38/58/303343858.db2.gz VPNRDUIUZBFHFR-UHFFFAOYSA-N 1 1 316.365 1.354 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000371659991 307155588 /nfs/dbraw/zinc/15/55/88/307155588.db2.gz KIQXWXCHRLSYGX-UQOMUDLDSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371659991 307155589 /nfs/dbraw/zinc/15/55/89/307155589.db2.gz KIQXWXCHRLSYGX-UQOMUDLDSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371659991 307155590 /nfs/dbraw/zinc/15/55/90/307155590.db2.gz KIQXWXCHRLSYGX-UQOMUDLDSA-N 1 1 318.377 1.073 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374040293 307200420 /nfs/dbraw/zinc/20/04/20/307200420.db2.gz UQNBGZKKTULFLK-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374040293 307200421 /nfs/dbraw/zinc/20/04/21/307200421.db2.gz UQNBGZKKTULFLK-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000374055081 307201363 /nfs/dbraw/zinc/20/13/63/307201363.db2.gz RISDQJSMWXPTBB-GFCCVEGCSA-N 1 1 304.354 1.580 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000374055081 307201364 /nfs/dbraw/zinc/20/13/64/307201364.db2.gz RISDQJSMWXPTBB-GFCCVEGCSA-N 1 1 304.354 1.580 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377553375 307272741 /nfs/dbraw/zinc/27/27/41/307272741.db2.gz HTUALIWQXOAZLE-SECBINFHSA-N 1 1 304.306 1.433 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000377645099 307275436 /nfs/dbraw/zinc/27/54/36/307275436.db2.gz BNGGDEYZRINVDP-UKRRQHHQSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377645099 307275437 /nfs/dbraw/zinc/27/54/37/307275437.db2.gz BNGGDEYZRINVDP-UKRRQHHQSA-N 1 1 315.377 1.863 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000377683741 307275754 /nfs/dbraw/zinc/27/57/54/307275754.db2.gz UZVIEAWEUMLMOZ-VXGBXAGGSA-N 1 1 305.334 1.042 20 5 DDBDMO C[C@H](CCN(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572714621 308222698 /nfs/dbraw/zinc/22/26/98/308222698.db2.gz RQYSJKBVGMQUML-GFCCVEGCSA-N 1 1 308.382 1.853 20 5 DDBDMO C[C@@H](C(=O)NCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000581106171 308653751 /nfs/dbraw/zinc/65/37/51/308653751.db2.gz AERICMCXUZLTQW-GFCCVEGCSA-N 1 1 323.418 1.863 20 5 DDBDMO CC(C)(CN1CCCC1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452098821 527080413 /nfs/dbraw/zinc/08/04/13/527080413.db2.gz UVPGRQYBBLIFOH-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000157918879 527414083 /nfs/dbraw/zinc/41/40/83/527414083.db2.gz WUFWFEURDZEYAX-AWEZNQCLSA-N 1 1 301.350 1.978 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292568918 529125419 /nfs/dbraw/zinc/12/54/19/529125419.db2.gz KDOXNFVIRBKTDC-UHFFFAOYSA-N 1 1 324.356 1.618 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736854499 598504034 /nfs/dbraw/zinc/50/40/34/598504034.db2.gz CYZJMABRABLCLL-JTQLQIEISA-N 1 1 317.353 1.529 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820127059 606702593 /nfs/dbraw/zinc/70/25/93/606702593.db2.gz ICWANCVJOOSPGO-VIFPVBQESA-N 1 1 318.341 1.065 20 5 DDBDMO COC(=O)/C(C)=C\C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816044 700136506 /nfs/dbraw/zinc/13/65/06/700136506.db2.gz CKOORCXASLVZPM-DKRCXCIFSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C(C)=C\C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816044 700136509 /nfs/dbraw/zinc/13/65/09/700136509.db2.gz CKOORCXASLVZPM-DKRCXCIFSA-N 1 1 320.349 1.595 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650528 697286338 /nfs/dbraw/zinc/28/63/38/697286338.db2.gz VQGZREOXRUNBPN-BPGGGUHBSA-N 1 1 321.352 1.475 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000776879245 698145207 /nfs/dbraw/zinc/14/52/07/698145207.db2.gz SKVWYKBZUYXXPZ-UONOGXRCSA-N 1 1 303.322 1.167 20 5 DDBDMO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000777555475 698201385 /nfs/dbraw/zinc/20/13/85/698201385.db2.gz BMYLPMCCXQGGIS-OAHLLOKOSA-N 1 1 313.317 1.345 20 5 DDBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000777555475 698201386 /nfs/dbraw/zinc/20/13/86/698201386.db2.gz BMYLPMCCXQGGIS-OAHLLOKOSA-N 1 1 313.317 1.345 20 5 DDBDMO COCCO[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245923257 698340954 /nfs/dbraw/zinc/34/09/54/698340954.db2.gz SYZLMZACQIPKTC-HZPDHXFCSA-N 1 1 324.377 1.756 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000779708786 698455252 /nfs/dbraw/zinc/45/52/52/698455252.db2.gz XYWHYOGIKJSHCV-NEPJUHHUSA-N 1 1 319.365 1.134 20 5 DDBDMO Cc1c(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000790444189 699460143 /nfs/dbraw/zinc/46/01/43/699460143.db2.gz AGFYOQKJGWUBGF-HNNXBMFYSA-N 1 1 304.350 1.802 20 5 DDBDMO CO[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000751941036 700328389 /nfs/dbraw/zinc/32/83/89/700328389.db2.gz QQFMDHUPQHOHKL-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000751941036 700328392 /nfs/dbraw/zinc/32/83/92/700328392.db2.gz QQFMDHUPQHOHKL-CYBMUJFWSA-N 1 1 303.322 1.532 20 5 DDBDMO COC(C)(C)C[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000758413034 700704513 /nfs/dbraw/zinc/70/45/13/700704513.db2.gz XMGVOVATUDLEGE-UHFFFAOYSA-N 1 1 307.354 1.962 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000762721635 700904825 /nfs/dbraw/zinc/90/48/25/700904825.db2.gz BSRKWECKIKRBHI-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO O=C1O[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CC2 ZINC000763760045 700948039 /nfs/dbraw/zinc/94/80/39/700948039.db2.gz LSUJLBFMUFQGFQ-LBPRGKRZSA-N 1 1 303.318 1.444 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC12CC2 ZINC000763760045 700948040 /nfs/dbraw/zinc/94/80/40/700948040.db2.gz LSUJLBFMUFQGFQ-LBPRGKRZSA-N 1 1 303.318 1.444 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000765937657 701030446 /nfs/dbraw/zinc/03/04/46/701030446.db2.gz UQMWLHGUCHJVET-MNOVXSKESA-N 1 1 306.366 1.732 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000769220549 701237308 /nfs/dbraw/zinc/23/73/08/701237308.db2.gz MCERGUOIDGXQHK-LSDHHAIUSA-N 1 1 308.334 1.120 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000769220549 701237309 /nfs/dbraw/zinc/23/73/09/701237309.db2.gz MCERGUOIDGXQHK-LSDHHAIUSA-N 1 1 308.334 1.120 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000879133291 706595972 /nfs/dbraw/zinc/59/59/72/706595972.db2.gz CVQMMJVAEOFLSY-PJODQICGSA-N 1 1 322.361 1.759 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000839700196 701789700 /nfs/dbraw/zinc/78/97/00/701789700.db2.gz CUEOTLHVBXFTEC-NMFUWQPSSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000839700196 701789703 /nfs/dbraw/zinc/78/97/03/701789703.db2.gz CUEOTLHVBXFTEC-NMFUWQPSSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000839700196 701789706 /nfs/dbraw/zinc/78/97/06/701789706.db2.gz CUEOTLHVBXFTEC-NMFUWQPSSA-N 1 1 303.362 1.431 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812336879 702160444 /nfs/dbraw/zinc/16/04/44/702160444.db2.gz AJQJSNPCSLCXKY-QWHCGFSZSA-N 1 1 319.361 1.627 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000816950097 702234485 /nfs/dbraw/zinc/23/44/85/702234485.db2.gz LVEWAWGJOSJTTG-HZMBPMFUSA-N 1 1 323.324 1.275 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844450022 703033276 /nfs/dbraw/zinc/03/32/76/703033276.db2.gz NWFBTRQIDUAKNE-SNVBAGLBSA-N 1 1 313.329 1.765 20 5 DDBDMO CNc1nccc(C(=O)OCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000848791702 703589931 /nfs/dbraw/zinc/58/99/31/703589931.db2.gz QJIHGBUJBZBOLJ-UHFFFAOYSA-N 1 1 319.321 1.784 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000851924520 703883923 /nfs/dbraw/zinc/88/39/23/703883923.db2.gz OPUWKAGYLGMLCF-LLVKDONJSA-N 1 1 311.338 1.866 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000818945632 704031531 /nfs/dbraw/zinc/03/15/31/704031531.db2.gz MRTZXUVISOYHOA-MRXNPFEDSA-N 1 1 305.378 1.845 20 5 DDBDMO CCn1nc(C)c(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819378918 704116706 /nfs/dbraw/zinc/11/67/06/704116706.db2.gz ABLFCZIJOUOKML-AWEZNQCLSA-N 1 1 305.338 1.338 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799556 704317039 /nfs/dbraw/zinc/31/70/39/704317039.db2.gz MGYRYBZROIGGRQ-NWDGAFQWSA-N 1 1 319.365 1.764 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799556 704317040 /nfs/dbraw/zinc/31/70/40/704317040.db2.gz MGYRYBZROIGGRQ-NWDGAFQWSA-N 1 1 319.365 1.764 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821331815 704392251 /nfs/dbraw/zinc/39/22/51/704392251.db2.gz DXBADFPNHPYQJP-OKILXGFUSA-N 1 1 319.361 1.384 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000855362977 704481020 /nfs/dbraw/zinc/48/10/20/704481020.db2.gz QORNKHPKFMUFNV-LLVKDONJSA-N 1 1 322.321 1.669 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000832774715 706981253 /nfs/dbraw/zinc/98/12/53/706981253.db2.gz AFIBRHMTFNNLPY-RRFJBIMHSA-N 1 1 306.362 1.985 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159368 705118194 /nfs/dbraw/zinc/11/81/94/705118194.db2.gz GBZUIWPDAQGPPT-TZMCWYRMSA-N 1 1 320.345 1.987 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159368 705118198 /nfs/dbraw/zinc/11/81/98/705118198.db2.gz GBZUIWPDAQGPPT-TZMCWYRMSA-N 1 1 320.345 1.987 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827730 705186117 /nfs/dbraw/zinc/18/61/17/705186117.db2.gz SWYYQWWTDQFOBI-RRFJBIMHSA-N 1 1 319.361 1.323 20 5 DDBDMO CNc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874833542 705190918 /nfs/dbraw/zinc/19/09/18/705190918.db2.gz LUCXSJHPRPNANT-STQMWFEESA-N 1 1 318.377 1.945 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000862794748 705800267 /nfs/dbraw/zinc/80/02/67/705800267.db2.gz HARPOQYTXYZJGK-IUODEOHRSA-N 1 1 321.377 1.476 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@H]21 ZINC000827234542 705957499 /nfs/dbraw/zinc/95/74/99/705957499.db2.gz YIUJSOWODZCCQP-TZMCWYRMSA-N 1 1 321.352 1.829 20 5 DDBDMO C/C(=C\C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863833367 706024567 /nfs/dbraw/zinc/02/45/67/706024567.db2.gz PIANAICXVPDSEJ-PABFRNLHSA-N 1 1 319.361 1.181 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827626289 706039842 /nfs/dbraw/zinc/03/98/42/706039842.db2.gz VHAHOYQPYMMQOU-ZNMIVQPWSA-N 1 1 303.362 1.909 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(C(F)F)c1 ZINC000865899699 706557335 /nfs/dbraw/zinc/55/73/35/706557335.db2.gz LHDKPMHPQDJGQY-LLVKDONJSA-N 1 1 313.304 1.788 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000865904874 706559014 /nfs/dbraw/zinc/55/90/14/706559014.db2.gz XNCSMWHNDMSXFA-NEPJUHHUSA-N 1 1 301.350 1.630 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880069299 706869490 /nfs/dbraw/zinc/86/94/90/706869490.db2.gz CZCHOATVMRCVEH-JKSUJKDBSA-N 1 1 305.378 1.278 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880144962 706890861 /nfs/dbraw/zinc/89/08/61/706890861.db2.gz KTKRTJQWOXDMGX-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880144962 706890863 /nfs/dbraw/zinc/89/08/63/706890863.db2.gz KTKRTJQWOXDMGX-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438470 706976184 /nfs/dbraw/zinc/97/61/84/706976184.db2.gz JGYRVNWPNHUKST-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438470 706976186 /nfs/dbraw/zinc/97/61/86/706976186.db2.gz JGYRVNWPNHUKST-DGCLKSJQSA-N 1 1 307.350 1.687 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000833458976 707008540 /nfs/dbraw/zinc/00/85/40/707008540.db2.gz RIGODNAOMYOISR-GOEBONIOSA-N 1 1 319.361 1.182 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000881762373 707357406 /nfs/dbraw/zinc/35/74/06/707357406.db2.gz YTERUBDDEYSBHB-NSHDSACASA-N 1 1 310.329 1.430 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944585 707552200 /nfs/dbraw/zinc/55/22/00/707552200.db2.gz BAIFWSWFUAMCEW-ZFWWWQNUSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000837224218 707600917 /nfs/dbraw/zinc/60/09/17/707600917.db2.gz CCWNGVWPQOIYFA-UHFFFAOYSA-N 1 1 324.356 1.920 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882765657 707781833 /nfs/dbraw/zinc/78/18/33/707781833.db2.gz GRTQNNJWHCGDGJ-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000882765657 707781837 /nfs/dbraw/zinc/78/18/37/707781837.db2.gz GRTQNNJWHCGDGJ-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882766824 707784519 /nfs/dbraw/zinc/78/45/19/707784519.db2.gz RROJMYAHURGION-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000882766824 707784524 /nfs/dbraw/zinc/78/45/24/707784524.db2.gz RROJMYAHURGION-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000883898036 708078977 /nfs/dbraw/zinc/07/89/77/708078977.db2.gz RMXGUMWUSYQJSN-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897098745 708229766 /nfs/dbraw/zinc/22/97/66/708229766.db2.gz UVUYRJLGAVELPI-UHFFFAOYSA-N 1 1 313.789 1.327 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886463235 708764181 /nfs/dbraw/zinc/76/41/81/708764181.db2.gz UKDPIHMRHWMSMO-AWEZNQCLSA-N 1 1 303.322 1.126 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886463235 708764183 /nfs/dbraw/zinc/76/41/83/708764183.db2.gz UKDPIHMRHWMSMO-AWEZNQCLSA-N 1 1 303.322 1.126 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899910616 709234964 /nfs/dbraw/zinc/23/49/64/709234964.db2.gz KAPCFLKNVFAGJZ-ZDUSSCGKSA-N 1 1 305.334 1.562 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889778942 709630904 /nfs/dbraw/zinc/63/09/04/709630904.db2.gz CEBSESVAAWCXKD-CABCVRRESA-N 1 1 319.361 1.266 20 5 DDBDMO CC(C)(C(=O)NCC[N@H+]1CCC(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000890078355 709737154 /nfs/dbraw/zinc/73/71/54/709737154.db2.gz BOKFKIGVCSMRMM-UHFFFAOYSA-N 1 1 323.397 1.375 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000910205631 709813955 /nfs/dbraw/zinc/81/39/55/709813955.db2.gz LXBYNPBMXIKZML-ZDUSSCGKSA-N 1 1 324.381 1.906 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000913280520 713190323 /nfs/dbraw/zinc/19/03/23/713190323.db2.gz DUQRVZDKMGLZIT-GASCZTMLSA-N 1 1 321.381 1.225 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928435418 713194136 /nfs/dbraw/zinc/19/41/36/713194136.db2.gz GOTSLOXNZUWBCY-BXKDBHETSA-N 1 1 313.304 1.895 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635596 710830415 /nfs/dbraw/zinc/83/04/15/710830415.db2.gz AWYHMDWWNQMIRW-CHWSQXEVSA-N 1 1 305.338 1.715 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902906045 710953464 /nfs/dbraw/zinc/95/34/64/710953464.db2.gz RKCDXWKPFIFWPG-DGCLKSJQSA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000902906045 710953467 /nfs/dbraw/zinc/95/34/67/710953467.db2.gz RKCDXWKPFIFWPG-DGCLKSJQSA-N 1 1 324.406 1.243 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894641746 711226790 /nfs/dbraw/zinc/22/67/90/711226790.db2.gz XIWGEZUGBVUUBY-GFCCVEGCSA-N 1 1 309.366 1.835 20 5 DDBDMO COc1cc(N[C@@H]2Cc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000894995785 711356924 /nfs/dbraw/zinc/35/69/24/711356924.db2.gz GCOLXIWLUNDUML-SECBINFHSA-N 1 1 304.306 1.845 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896564690 711753221 /nfs/dbraw/zinc/75/32/21/711753221.db2.gz RMMPEWVQQXOFSJ-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931408730 714087818 /nfs/dbraw/zinc/08/78/18/714087818.db2.gz DRZWCMSTMDMYBH-HNNXBMFYSA-N 1 1 323.393 1.490 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931408730 714087822 /nfs/dbraw/zinc/08/78/22/714087822.db2.gz DRZWCMSTMDMYBH-HNNXBMFYSA-N 1 1 323.393 1.490 20 5 DDBDMO CN(C(=O)CN1CCn2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000931523138 714118651 /nfs/dbraw/zinc/11/86/51/714118651.db2.gz QNAOUYNNDRAISA-UHFFFAOYSA-N 1 1 301.306 1.274 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000931564210 714128983 /nfs/dbraw/zinc/12/89/83/714128983.db2.gz VINJQZMPGZQNOI-QWHCGFSZSA-N 1 1 313.398 1.985 20 5 DDBDMO COc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c([N+](=O)[O-])cc1F ZINC000931655377 714150768 /nfs/dbraw/zinc/15/07/68/714150768.db2.gz YLORNHQIZMQYGR-GFCCVEGCSA-N 1 1 311.313 1.357 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000932004571 714231292 /nfs/dbraw/zinc/23/12/92/714231292.db2.gz ZGPRZMRHWXEXNJ-TZMCWYRMSA-N 1 1 308.334 1.323 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932132728 714267750 /nfs/dbraw/zinc/26/77/50/714267750.db2.gz NODASDDXWGJQEQ-CYBMUJFWSA-N 1 1 318.381 1.713 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000923270520 714291987 /nfs/dbraw/zinc/29/19/87/714291987.db2.gz BIKIROMFSOFARP-CMPLNLGQSA-N 1 1 305.334 1.609 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933779684 714669590 /nfs/dbraw/zinc/66/95/90/714669590.db2.gz PRHLHTOMOUSNOY-CYBMUJFWSA-N 1 1 323.397 1.290 20 5 DDBDMO O=[N+]([O-])c1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164966110 722067349 /nfs/dbraw/zinc/06/73/49/722067349.db2.gz WDUNUYSGOXKLTR-OKILXGFUSA-N 1 1 304.350 1.289 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001121008534 782293380 /nfs/dbraw/zinc/29/33/80/782293380.db2.gz FMVLKIVBSXDQOJ-YUSALJHKSA-N 1 1 320.349 1.529 20 5 DDBDMO CN1C[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)CCC1=O ZINC001167249319 732864211 /nfs/dbraw/zinc/86/42/11/732864211.db2.gz DJQVQLVHPPLQAS-LLVKDONJSA-N 1 1 318.377 1.615 20 5 DDBDMO CN1C[C@H](Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)CCC1=O ZINC001167249319 732864219 /nfs/dbraw/zinc/86/42/19/732864219.db2.gz DJQVQLVHPPLQAS-LLVKDONJSA-N 1 1 318.377 1.615 20 5 DDBDMO O=C(CC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025649153 736808781 /nfs/dbraw/zinc/80/87/81/736808781.db2.gz FCGJLKCYGSPNFZ-QLPKVWCKSA-N 1 1 315.373 1.941 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001029305424 740551666 /nfs/dbraw/zinc/55/16/66/740551666.db2.gz YJQWMKNHAMWQMZ-QKPAOTATSA-N 1 1 315.373 1.527 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001029305424 740551669 /nfs/dbraw/zinc/55/16/69/740551669.db2.gz YJQWMKNHAMWQMZ-QKPAOTATSA-N 1 1 315.373 1.527 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001029305424 740551672 /nfs/dbraw/zinc/55/16/72/740551672.db2.gz YJQWMKNHAMWQMZ-QKPAOTATSA-N 1 1 315.373 1.527 20 5 DDBDMO Cc1cc(C)cc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126943058 742937425 /nfs/dbraw/zinc/93/74/25/742937425.db2.gz IWPORUFUVSCPHL-HUUCEWRRSA-N 1 1 321.377 1.053 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001183270341 743813398 /nfs/dbraw/zinc/81/33/98/743813398.db2.gz SRTXBZCHEKJWTA-KGFZYKRKSA-N 1 1 324.255 1.710 20 5 DDBDMO Cc1ccc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031662071 747336697 /nfs/dbraw/zinc/33/66/97/747336697.db2.gz SWDOGONZDWBLOR-HZPDHXFCSA-N 1 1 317.389 1.517 20 5 DDBDMO Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034645807 750627856 /nfs/dbraw/zinc/62/78/56/750627856.db2.gz WFJBNYHUASHOGP-FDYHWXHSSA-N 1 1 322.365 1.165 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019491 762199900 /nfs/dbraw/zinc/19/99/00/762199900.db2.gz ISKAINDYZWOEGU-RDBSUJKOSA-N 1 1 322.409 1.801 20 5 DDBDMO CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C)C1=O ZINC001169025835 762203196 /nfs/dbraw/zinc/20/31/96/762203196.db2.gz ZGHNKMYSVBISMA-AYDFFVQHSA-N 1 1 309.410 1.622 20 5 DDBDMO Cc1ccncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082724 760942116 /nfs/dbraw/zinc/94/21/16/760942116.db2.gz BNZXKZNVSYMNQE-FAAHXZRKSA-N 1 1 318.377 1.040 20 5 DDBDMO COc1cc(C)c([N+](=O)[O-])cc1-n1[nH]c(=O)c(CC[NH3+])c1C ZINC001170342938 766275181 /nfs/dbraw/zinc/27/51/81/766275181.db2.gz MABYKRWVONJLLD-UHFFFAOYSA-N 1 1 306.322 1.613 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001170898515 771898051 /nfs/dbraw/zinc/89/80/51/771898051.db2.gz CTTRMNZXDOHFKW-MRVPVSSYSA-N 1 1 304.148 1.188 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001137039021 772275684 /nfs/dbraw/zinc/27/56/84/772275684.db2.gz OKTULSKYHOQQBP-NSHDSACASA-N 1 1 321.381 1.376 20 5 DDBDMO Cc1ccc(NCCNC(=O)C[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC001093673910 774987970 /nfs/dbraw/zinc/98/79/70/774987970.db2.gz CIJWPVSJZVYNNU-UHFFFAOYSA-N 1 1 308.382 1.772 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094574192 776049183 /nfs/dbraw/zinc/04/91/83/776049183.db2.gz QYNOOHAUYWXRNG-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO C[C@@]1(O)COCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906393 776916931 /nfs/dbraw/zinc/91/69/31/776916931.db2.gz XPBWHHXHGSSTGE-WBVHZDCISA-N 1 1 320.389 1.925 20 5 DDBDMO CC(C)(C(=O)NCC[NH+]1CC=CC1)c1ccc([N+](=O)[O-])cc1F ZINC001116613695 780531691 /nfs/dbraw/zinc/53/16/91/780531691.db2.gz CYCVARFRROBXTO-UHFFFAOYSA-N 1 1 321.352 2.000 20 5 DDBDMO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001268238071 839873880 /nfs/dbraw/zinc/87/38/80/839873880.db2.gz VHWAUSUGTUILPI-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001268238071 839873891 /nfs/dbraw/zinc/87/38/91/839873891.db2.gz VHWAUSUGTUILPI-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001268238071 839873896 /nfs/dbraw/zinc/87/38/96/839873896.db2.gz VHWAUSUGTUILPI-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001155195925 861820989 /nfs/dbraw/zinc/82/09/89/861820989.db2.gz HAFDGUJZAUYBLH-NSHDSACASA-N 1 1 303.322 1.281 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001155195925 861820999 /nfs/dbraw/zinc/82/09/99/861820999.db2.gz HAFDGUJZAUYBLH-NSHDSACASA-N 1 1 303.322 1.281 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855052 849612940 /nfs/dbraw/zinc/61/29/40/849612940.db2.gz LHQXWTIHCFXOFB-YUMQZZPRSA-N 1 1 315.761 1.384 20 5 DDBDMO CCOC(=O)C=C(N)Nc1cc(C=C[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155701840 862393003 /nfs/dbraw/zinc/39/30/03/862393003.db2.gz ZKQNDJRVVXCTDV-AATRIKPKSA-N 1 1 321.337 1.864 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001123028251 859062761 /nfs/dbraw/zinc/06/27/61/859062761.db2.gz AOJZUVSNBSDBCF-NSHDSACASA-N 1 1 310.354 1.516 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@H]([N@@H+](C)C(C)C)C2)c1[N+](=O)[O-] ZINC001157018896 863520323 /nfs/dbraw/zinc/52/03/23/863520323.db2.gz APYDWWUYXFVQCO-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001157766919 864115589 /nfs/dbraw/zinc/11/55/89/864115589.db2.gz BRFNLJJAVJWXRA-UKRRQHHQSA-N 1 1 316.361 1.429 20 5 DDBDMO O=C(NCCC[NH2+]Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767850 864118936 /nfs/dbraw/zinc/11/89/36/864118936.db2.gz XUXKIOYBKZWXHU-CHWSQXEVSA-N 1 1 311.769 1.601 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2C[C@H](F)C[C@@H](CO)C2)ncc1[N+](=O)[O-] ZINC001164050490 868913246 /nfs/dbraw/zinc/91/32/46/868913246.db2.gz NQMPFZPBEYOJJB-NAGRZINJSA-N 1 1 324.356 1.679 20 5 DDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])cc1C(N)=O ZINC001226173992 882251721 /nfs/dbraw/zinc/25/17/21/882251721.db2.gz VTTMPCGUKWSSCR-HBYGRHMLSA-N 1 1 319.361 1.803 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@H](O)[C@H](F)CC2)ncc1[N+](=O)[O-] ZINC001164237334 869045210 /nfs/dbraw/zinc/04/52/10/869045210.db2.gz JHXOLOBMZRCXDI-YJJAWEDRSA-N 1 1 324.356 1.821 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001336797187 869148757 /nfs/dbraw/zinc/14/87/57/869148757.db2.gz KBQVQJMIRGZCGM-OAHLLOKOSA-N 1 1 308.334 1.656 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001337836248 869651026 /nfs/dbraw/zinc/65/10/26/869651026.db2.gz OTYUDNUGSJGCBD-TUKIKUTGSA-N 1 1 319.361 1.430 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c4nonc43)[C@H]2C1 ZINC001339997590 870829424 /nfs/dbraw/zinc/82/94/24/870829424.db2.gz DRMXPZKIRXRUST-GUBZILKMSA-N 1 1 303.322 1.883 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001340021303 870846750 /nfs/dbraw/zinc/84/67/50/870846750.db2.gz RTJBFQCCISPCDV-STQMWFEESA-N 1 1 322.413 1.038 20 5 DDBDMO CCc1ccccc1CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448066 870853562 /nfs/dbraw/zinc/85/35/62/870853562.db2.gz MVWTVYXLACYSKI-HZPDHXFCSA-N 1 1 319.405 1.505 20 5 DDBDMO CCc1ccccc1CC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448066 870853579 /nfs/dbraw/zinc/85/35/79/870853579.db2.gz MVWTVYXLACYSKI-HZPDHXFCSA-N 1 1 319.405 1.505 20 5 DDBDMO CCc1ccccc1CC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448066 870853596 /nfs/dbraw/zinc/85/35/96/870853596.db2.gz MVWTVYXLACYSKI-HZPDHXFCSA-N 1 1 319.405 1.505 20 5 DDBDMO CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001345464657 873412972 /nfs/dbraw/zinc/41/29/72/873412972.db2.gz AJSKPXZKMPDTEP-NFAWXSAZSA-N 1 1 307.350 1.405 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001345491707 873421701 /nfs/dbraw/zinc/42/17/01/873421701.db2.gz PILBQZUMSUJYME-BXUZGUMPSA-N 1 1 304.350 1.230 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001227124263 882857306 /nfs/dbraw/zinc/85/73/06/882857306.db2.gz LPRKDIHCWYTWHN-LLVKDONJSA-N 1 1 324.333 1.481 20 5 DDBDMO Nc1ncc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001300131224 876971059 /nfs/dbraw/zinc/97/10/59/876971059.db2.gz ODWSCNNCXSVDSC-NEPJUHHUSA-N 1 1 319.365 1.319 20 5 DDBDMO C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584219 879114972 /nfs/dbraw/zinc/11/49/72/879114972.db2.gz NDXCLLYAJIYGRM-KBPBESRZSA-N 1 1 323.393 1.266 20 5 DDBDMO CN1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356584219 879114979 /nfs/dbraw/zinc/11/49/79/879114979.db2.gz NDXCLLYAJIYGRM-KBPBESRZSA-N 1 1 323.393 1.266 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c(F)c2F)C1 ZINC001233768028 887304507 /nfs/dbraw/zinc/30/45/07/887304507.db2.gz BLTIJHJTHFTSKH-SECBINFHSA-N 1 1 302.277 1.973 20 5 DDBDMO Cc1cc(N(C(N)=[NH2+])[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[nH]n1 ZINC001254601094 896525610 /nfs/dbraw/zinc/52/56/10/896525610.db2.gz ZEHYKWMLENUYIY-LBPRGKRZSA-N 1 1 300.322 1.494 20 5 DDBDMO O=C1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC2(CCCC2)N1 ZINC001254606156 896527433 /nfs/dbraw/zinc/52/74/33/896527433.db2.gz FJOKBJGWPPUQSY-OAHLLOKOSA-N 1 1 315.373 1.807 20 5 DDBDMO O=C1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC2(CCCC2)N1 ZINC001254606156 896527447 /nfs/dbraw/zinc/52/74/47/896527447.db2.gz FJOKBJGWPPUQSY-OAHLLOKOSA-N 1 1 315.373 1.807 20 5 DDBDMO COC(=O)CO[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609954 896530418 /nfs/dbraw/zinc/53/04/18/896530418.db2.gz GRMZEZKUBIZNCB-CABCVRRESA-N 1 1 320.345 1.326 20 5 DDBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000295639908 529381844 /nfs/dbraw/zinc/38/18/44/529381844.db2.gz GNYHOBVILAKFDN-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000295639908 529381847 /nfs/dbraw/zinc/38/18/47/529381847.db2.gz GNYHOBVILAKFDN-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305361547 231004153 /nfs/dbraw/zinc/00/41/53/231004153.db2.gz UEYDNHKERNMGSR-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000614711738 361986573 /nfs/dbraw/zinc/98/65/73/361986573.db2.gz PMCSATFXFZHRGJ-CHWSQXEVSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000305857354 231076736 /nfs/dbraw/zinc/07/67/36/231076736.db2.gz KZGIXOGBDIVWGV-YWPYICTPSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000451650411 231151216 /nfs/dbraw/zinc/15/12/16/231151216.db2.gz DOCULUYDIVSLIK-OKILXGFUSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000451650411 231151220 /nfs/dbraw/zinc/15/12/20/231151220.db2.gz DOCULUYDIVSLIK-OKILXGFUSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000451650411 231151223 /nfs/dbraw/zinc/15/12/23/231151223.db2.gz DOCULUYDIVSLIK-OKILXGFUSA-N 1 1 323.393 1.361 20 5 DDBDMO CC(C)CCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552033 185302992 /nfs/dbraw/zinc/30/29/92/185302992.db2.gz YHZHVMCFDPVFSO-OAHLLOKOSA-N 1 1 323.393 1.894 20 5 DDBDMO CN1CC[NH+](CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000298155938 529772344 /nfs/dbraw/zinc/77/23/44/529772344.db2.gz LJLVCTWBZWYORT-UHFFFAOYSA-N 1 1 315.377 1.802 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292406063 529811013 /nfs/dbraw/zinc/81/10/13/529811013.db2.gz ZENBIKWCNXTRFN-INIZCTEOSA-N 1 1 303.362 1.692 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272655470 282318118 /nfs/dbraw/zinc/31/81/18/282318118.db2.gz QOENHQLPGOEZRN-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612914 210014527 /nfs/dbraw/zinc/01/45/27/210014527.db2.gz ZPOUCBKJMFAFRX-ZYHUDNBSSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612914 210014529 /nfs/dbraw/zinc/01/45/29/210014529.db2.gz ZPOUCBKJMFAFRX-ZYHUDNBSSA-N 1 1 305.334 1.609 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996644 352475850 /nfs/dbraw/zinc/47/58/50/352475850.db2.gz MJJUUVWLZXSUKG-ZIAGYGMSSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000047633011 352505633 /nfs/dbraw/zinc/50/56/33/352505633.db2.gz NBJFFDBPROBEAA-GFCCVEGCSA-N 1 1 323.349 1.515 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C ZINC000052192434 352603623 /nfs/dbraw/zinc/60/36/23/352603623.db2.gz VRFUESYMCSPGRW-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000052519051 352613158 /nfs/dbraw/zinc/61/31/58/352613158.db2.gz WMYVTTSXKJSPTE-CYBMUJFWSA-N 1 1 321.381 1.400 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000054264782 352685262 /nfs/dbraw/zinc/68/52/62/352685262.db2.gz JTVBQZHAZITPJE-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000063852918 352927483 /nfs/dbraw/zinc/92/74/83/352927483.db2.gz UTAAEWABFIKOIN-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000066924574 353025683 /nfs/dbraw/zinc/02/56/83/353025683.db2.gz CFWLUGLLBHWKCQ-UHFFFAOYSA-N 1 1 323.349 1.436 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000066924584 353026100 /nfs/dbraw/zinc/02/61/00/353026100.db2.gz QVCPADCKOFYGBS-UHFFFAOYSA-N 1 1 308.294 1.327 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000067292729 353043104 /nfs/dbraw/zinc/04/31/04/353043104.db2.gz RVHYUOHTBHMKPO-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069530436 353165889 /nfs/dbraw/zinc/16/58/89/353165889.db2.gz MFNWOOPFSQZOLW-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000072833170 353220565 /nfs/dbraw/zinc/22/05/65/353220565.db2.gz SFOQKXYOGOBYLU-MRXNPFEDSA-N 1 1 303.362 1.739 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000182085321 199384653 /nfs/dbraw/zinc/38/46/53/199384653.db2.gz WUNAAGJWRUSRMS-ZDUSSCGKSA-N 1 1 321.377 1.664 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000073900369 353277499 /nfs/dbraw/zinc/27/74/99/353277499.db2.gz ZKTKQJIKKXSIKF-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174163396 198300170 /nfs/dbraw/zinc/30/01/70/198300170.db2.gz WMEDOTMATDNXCL-CYBMUJFWSA-N 1 1 319.361 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)C1 ZINC000174709339 198373463 /nfs/dbraw/zinc/37/34/63/198373463.db2.gz YWOKRBUYPRRXHM-LLVKDONJSA-N 1 1 323.349 1.246 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@H](C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000114014618 353978645 /nfs/dbraw/zinc/97/86/45/353978645.db2.gz WHLMRUKBDFYSSX-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000124876686 354042133 /nfs/dbraw/zinc/04/21/33/354042133.db2.gz FFKVGDUWMIBWBY-BDAKNGLRSA-N 1 1 317.342 1.282 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156638991 354220034 /nfs/dbraw/zinc/22/00/34/354220034.db2.gz OWJUIELAOGZCLH-AWEZNQCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000156638991 354220037 /nfs/dbraw/zinc/22/00/37/354220037.db2.gz OWJUIELAOGZCLH-AWEZNQCLSA-N 1 1 323.349 1.245 20 5 DDBDMO CN1CC[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000265667625 354400958 /nfs/dbraw/zinc/40/09/58/354400958.db2.gz WBFYLAZXXKBNGD-CQSZACIVSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305729953 354471222 /nfs/dbraw/zinc/47/12/22/354471222.db2.gz KFAPPIXVFAAEFK-HZMBPMFUSA-N 1 1 307.350 1.625 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2N1 ZINC000320069207 354525012 /nfs/dbraw/zinc/52/50/12/354525012.db2.gz KAMSHELKFOBSKW-FZMZJTMJSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2N1 ZINC000320069207 354525013 /nfs/dbraw/zinc/52/50/13/354525013.db2.gz KAMSHELKFOBSKW-FZMZJTMJSA-N 1 1 307.325 1.834 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000585800598 354848982 /nfs/dbraw/zinc/84/89/82/354848982.db2.gz ASSFKBLNZGTBAM-KFWWJZLASA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000585800598 354848986 /nfs/dbraw/zinc/84/89/86/354848986.db2.gz ASSFKBLNZGTBAM-KFWWJZLASA-N 1 1 324.381 1.043 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588007205 354892644 /nfs/dbraw/zinc/89/26/44/354892644.db2.gz AGVPPVJVUPQJRR-SNVBAGLBSA-N 1 1 317.349 1.397 20 5 DDBDMO Nc1cc(N[C@@H]2CCn3cc[nH+]c3C2)cc(CO)c1[N+](=O)[O-] ZINC000588022503 354895060 /nfs/dbraw/zinc/89/50/60/354895060.db2.gz XRMCVYLLJBSYFS-SNVBAGLBSA-N 1 1 303.322 1.293 20 5 DDBDMO C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@H+]1C1CC1 ZINC000589584119 355002349 /nfs/dbraw/zinc/00/23/49/355002349.db2.gz GCANXYHTCVQIKG-JOYOIKCWSA-N 1 1 306.366 1.706 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](C)C(=O)OC)c1 ZINC000589495883 354995882 /nfs/dbraw/zinc/99/58/82/354995882.db2.gz HOZWFASHPQYTGR-SNVBAGLBSA-N 1 1 324.333 1.622 20 5 DDBDMO CN(C(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012326 355040507 /nfs/dbraw/zinc/04/05/07/355040507.db2.gz QWZXLAMFDMQCFV-SWLSCSKDSA-N 1 1 318.377 1.194 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590046690 355043303 /nfs/dbraw/zinc/04/33/03/355043303.db2.gz MMNCGAYGBVSGDE-DZGCQCFKSA-N 1 1 303.362 1.608 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590046697 355043321 /nfs/dbraw/zinc/04/33/21/355043321.db2.gz MMNCGAYGBVSGDE-ZFWWWQNUSA-N 1 1 303.362 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403650 355085631 /nfs/dbraw/zinc/08/56/31/355085631.db2.gz LLZRDAJUGYRHRW-UWVGGRQHSA-N 1 1 309.370 1.606 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000591505239 355322077 /nfs/dbraw/zinc/32/20/77/355322077.db2.gz TUHUIZSJGQFRAO-NEPJUHHUSA-N 1 1 322.361 1.832 20 5 DDBDMO [NH3+]C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451006 356222043 /nfs/dbraw/zinc/22/20/43/356222043.db2.gz BADXGXNJNRDOAT-MRVPVSSYSA-N 1 1 317.227 1.091 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)n1 ZINC000594360779 356183057 /nfs/dbraw/zinc/18/30/57/356183057.db2.gz WHNZBYVKPVZMHC-WDEREUQCSA-N 1 1 307.354 1.120 20 5 DDBDMO C[N@@H+]1CCO[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081434198 192264291 /nfs/dbraw/zinc/26/42/91/192264291.db2.gz SKRFPGQYTMFWQP-HNNXBMFYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@H+]1CCO[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081434198 192264294 /nfs/dbraw/zinc/26/42/94/192264294.db2.gz SKRFPGQYTMFWQP-HNNXBMFYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)C1 ZINC000294031671 283169639 /nfs/dbraw/zinc/16/96/39/283169639.db2.gz ZWHBSYHXYCVVBH-HNNXBMFYSA-N 1 1 304.350 1.345 20 5 DDBDMO Cc1noc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1[N+](=O)[O-] ZINC000595504300 356521785 /nfs/dbraw/zinc/52/17/85/356521785.db2.gz BJGSSFBCARTKRR-KBPBESRZSA-N 1 1 311.338 1.301 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771467 356645709 /nfs/dbraw/zinc/64/57/09/356645709.db2.gz PJEUYFDCULYJAL-CORIIIEPSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595759905 356640813 /nfs/dbraw/zinc/64/08/13/356640813.db2.gz QVYOBNCNFLYFCW-MLGOLLRUSA-N 1 1 319.361 1.892 20 5 DDBDMO O=C(C[N@@H+]1CCC2(COC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595833437 356670456 /nfs/dbraw/zinc/67/04/56/356670456.db2.gz JDMKPJYETDLBGX-UHFFFAOYSA-N 1 1 317.345 1.206 20 5 DDBDMO O=C(C[N@H+]1CCC2(COC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595833437 356670458 /nfs/dbraw/zinc/67/04/58/356670458.db2.gz JDMKPJYETDLBGX-UHFFFAOYSA-N 1 1 317.345 1.206 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826934 356665744 /nfs/dbraw/zinc/66/57/44/356665744.db2.gz BESAWYNBWBZWAS-OLZOCXBDSA-N 1 1 319.361 1.892 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825005 356666269 /nfs/dbraw/zinc/66/62/69/356666269.db2.gz BVEYSDXKDQTYKE-OAHLLOKOSA-N 1 1 320.393 1.825 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596233227 356826250 /nfs/dbraw/zinc/82/62/50/356826250.db2.gz AYHJDRDGHBLSMS-UHFFFAOYSA-N 1 1 311.386 1.015 20 5 DDBDMO CN(CCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-])CC[NH+](C)C ZINC000596233227 356826252 /nfs/dbraw/zinc/82/62/52/356826252.db2.gz AYHJDRDGHBLSMS-UHFFFAOYSA-N 1 1 311.386 1.015 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@]3(O)C[C@H]3C1)OCCO2 ZINC000597211717 357094456 /nfs/dbraw/zinc/09/44/56/357094456.db2.gz NYEDDBKXCFTCER-XHDPSFHLSA-N 1 1 306.318 1.323 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@]3(O)C[C@H]3C1)OCCO2 ZINC000597211717 357094461 /nfs/dbraw/zinc/09/44/61/357094461.db2.gz NYEDDBKXCFTCER-XHDPSFHLSA-N 1 1 306.318 1.323 20 5 DDBDMO COC(=O)c1ccnc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598587287 357642085 /nfs/dbraw/zinc/64/20/85/357642085.db2.gz OECSGIXGODAUMP-SNVBAGLBSA-N 1 1 320.349 1.673 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598599463 357648752 /nfs/dbraw/zinc/64/87/52/357648752.db2.gz OIWMFSGPDNZREM-NXEZZACHSA-N 1 1 308.338 1.671 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC000598667431 357677374 /nfs/dbraw/zinc/67/73/74/357677374.db2.gz GPPVAZVBJXFPFM-XPTSAGLGSA-N 1 1 307.354 1.224 20 5 DDBDMO COC(=O)c1cnc(NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599138081 357826706 /nfs/dbraw/zinc/82/67/06/357826706.db2.gz FSOLMDQOPIGUNJ-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000347912966 283298091 /nfs/dbraw/zinc/29/80/91/283298091.db2.gz LTVHKPFURJYCIC-LLVKDONJSA-N 1 1 306.366 1.780 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562860 357975027 /nfs/dbraw/zinc/97/50/27/357975027.db2.gz IUINBVPKTOQQAR-HNNXBMFYSA-N 1 1 308.334 1.401 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599568557 357978353 /nfs/dbraw/zinc/97/83/53/357978353.db2.gz UBCNXGDLALPIRQ-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599568557 357978357 /nfs/dbraw/zinc/97/83/57/357978357.db2.gz UBCNXGDLALPIRQ-OAHLLOKOSA-N 1 1 324.333 1.367 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599986729 358096600 /nfs/dbraw/zinc/09/66/00/358096600.db2.gz YPHAQINRQZUIIQ-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO C=Cn1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149133 358422079 /nfs/dbraw/zinc/42/20/79/358422079.db2.gz JFZJWUJUXIQJKC-HNNXBMFYSA-N 1 1 302.334 1.889 20 5 DDBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000601153504 358424156 /nfs/dbraw/zinc/42/41/56/358424156.db2.gz PKDHRIZRXRFWSB-ZYHUDNBSSA-N 1 1 303.318 1.729 20 5 DDBDMO COC[C@@]1(CO)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601172129 358432164 /nfs/dbraw/zinc/43/21/64/358432164.db2.gz VLXHNBMZHJZGSE-INIZCTEOSA-N 1 1 317.345 1.978 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)[C@H]3CCCOC3)c2c1 ZINC000601176871 358434544 /nfs/dbraw/zinc/43/45/44/358434544.db2.gz SGVZNHMPAOSTDK-MEDUHNTESA-N 1 1 317.345 1.764 20 5 DDBDMO CN(C)C(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602593945 359061303 /nfs/dbraw/zinc/06/13/03/359061303.db2.gz MDOUPRYYKZADBK-UHFFFAOYSA-N 1 1 305.256 1.791 20 5 DDBDMO Cn1cc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)c([N+](=O)[O-])n1 ZINC000602704766 359136021 /nfs/dbraw/zinc/13/60/21/359136021.db2.gz IHWRFEIISCWDFL-GFCCVEGCSA-N 1 1 321.381 1.065 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000602803120 359203488 /nfs/dbraw/zinc/20/34/88/359203488.db2.gz WKJOXMNGENVLCC-AWEZNQCLSA-N 1 1 308.382 1.991 20 5 DDBDMO CO[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000602965033 359329423 /nfs/dbraw/zinc/32/94/23/359329423.db2.gz YDDXYAJCFPXIQG-CABCVRRESA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000603400276 359616416 /nfs/dbraw/zinc/61/64/16/359616416.db2.gz FLKNNBQXFSXPKC-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1O ZINC000186875463 200024978 /nfs/dbraw/zinc/02/49/78/200024978.db2.gz JOIWIKXANJMOSS-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1O ZINC000186875463 200024980 /nfs/dbraw/zinc/02/49/80/200024980.db2.gz JOIWIKXANJMOSS-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000188829761 200309216 /nfs/dbraw/zinc/30/92/16/200309216.db2.gz XSFJUPYQGXHRFY-UHFFFAOYSA-N 1 1 310.354 1.339 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281176141 216132315 /nfs/dbraw/zinc/13/23/15/216132315.db2.gz NAVZAMYOXSSOHO-LLVKDONJSA-N 1 1 322.365 1.554 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609333881 360295483 /nfs/dbraw/zinc/29/54/83/360295483.db2.gz BVZDSVWGTMOUIQ-CQSZACIVSA-N 1 1 319.409 1.596 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccsc3[N+](=O)[O-])CC2)C1 ZINC000609674474 360343130 /nfs/dbraw/zinc/34/31/30/360343130.db2.gz HBJMZBRFGZRJHO-LBPRGKRZSA-N 1 1 310.423 1.873 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000609675159 360344312 /nfs/dbraw/zinc/34/43/12/360344312.db2.gz ZVPIIDLMKINKNR-CYBMUJFWSA-N 1 1 305.382 1.206 20 5 DDBDMO CN(C(=O)C[N@@H+](CCO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000609483441 360312654 /nfs/dbraw/zinc/31/26/54/360312654.db2.gz CMCRTVVGINBBHJ-UHFFFAOYSA-N 1 1 323.393 1.898 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610489146 360449748 /nfs/dbraw/zinc/44/97/48/360449748.db2.gz HKTBIYKBDXYICG-ZDUSSCGKSA-N 1 1 306.366 1.681 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359028215 299311202 /nfs/dbraw/zinc/31/12/02/299311202.db2.gz PJPJJKMDNPUGDK-NEPJUHHUSA-N 1 1 305.338 1.160 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000292708137 223210621 /nfs/dbraw/zinc/21/06/21/223210621.db2.gz LGJROIAMPJQDQT-CQSZACIVSA-N 1 1 319.361 1.913 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](O)C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000292708137 223210622 /nfs/dbraw/zinc/21/06/22/223210622.db2.gz LGJROIAMPJQDQT-CQSZACIVSA-N 1 1 319.361 1.913 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1ccccc1=O ZINC000619785403 364149736 /nfs/dbraw/zinc/14/97/36/364149736.db2.gz CVGADKBDDGXFCO-UHFFFAOYSA-N 1 1 301.346 1.931 20 5 DDBDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000350290214 284178969 /nfs/dbraw/zinc/17/89/69/284178969.db2.gz UKJSNPDWBKUEHM-PUYPPJJSSA-N 1 1 307.325 1.833 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000264909895 204262594 /nfs/dbraw/zinc/26/25/94/204262594.db2.gz NEAIUZHDFNPSKL-UHFFFAOYSA-N 1 1 309.370 1.430 20 5 DDBDMO CCOc1cc(C[N@H+](CC)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000282528792 217064797 /nfs/dbraw/zinc/06/47/97/217064797.db2.gz YWEDEJUJUAUFGE-CYBMUJFWSA-N 1 1 307.350 1.704 20 5 DDBDMO CCOc1cc(C[N@@H+](CC)[C@@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000282528792 217064802 /nfs/dbraw/zinc/06/48/02/217064802.db2.gz YWEDEJUJUAUFGE-CYBMUJFWSA-N 1 1 307.350 1.704 20 5 DDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000351486020 284336444 /nfs/dbraw/zinc/33/64/44/284336444.db2.gz LTSBOBKVIUSAIH-DZGCQCFKSA-N 1 1 314.345 1.751 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486889 284337330 /nfs/dbraw/zinc/33/73/30/284337330.db2.gz YJPGXAFELDWRIB-TZMCWYRMSA-N 1 1 314.345 1.751 20 5 DDBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C)CC1 ZINC000351500272 284348042 /nfs/dbraw/zinc/34/80/42/284348042.db2.gz RUIRJCVHVHEHLB-AWEZNQCLSA-N 1 1 305.378 1.938 20 5 DDBDMO COc1ccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351501988 284349329 /nfs/dbraw/zinc/34/93/29/284349329.db2.gz YQKLZXUMUABKEY-IACUBPJLSA-N 1 1 321.377 1.651 20 5 DDBDMO C[C@@H](CO)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000351525013 284361887 /nfs/dbraw/zinc/36/18/87/284361887.db2.gz QOGNVFXFJSMYJZ-NSHDSACASA-N 1 1 321.377 1.819 20 5 DDBDMO CC(C)[N@@H+](CCN1C(=O)CNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350006 248203133 /nfs/dbraw/zinc/20/31/33/248203133.db2.gz AYYPLZSXCDDNLY-UHFFFAOYSA-N 1 1 320.349 1.357 20 5 DDBDMO CCOCC[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105831467 194139590 /nfs/dbraw/zinc/13/95/90/194139590.db2.gz VOLPOMHGZZHKLE-UHFFFAOYSA-N 1 1 311.357 1.888 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(CO)CC3)n2)cc1 ZINC000339144157 250312964 /nfs/dbraw/zinc/31/29/64/250312964.db2.gz QEBHHEKZKJHOGG-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352432628 285046777 /nfs/dbraw/zinc/04/67/77/285046777.db2.gz UNNYFBNGQXKARM-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000120094246 195096043 /nfs/dbraw/zinc/09/60/43/195096043.db2.gz QSDZZTZEPBGZMN-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000120094246 195096045 /nfs/dbraw/zinc/09/60/45/195096045.db2.gz QSDZZTZEPBGZMN-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2[nH+]ccn21 ZINC000352472828 285076136 /nfs/dbraw/zinc/07/61/36/285076136.db2.gz KQQZDCJJCYFPPH-ZDUSSCGKSA-N 1 1 300.318 1.985 20 5 DDBDMO CNc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425069367 533040756 /nfs/dbraw/zinc/04/07/56/533040756.db2.gz UVLVPOIMSBMYIC-SMDDNHRTSA-N 1 1 318.377 1.803 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286477887 219010790 /nfs/dbraw/zinc/01/07/90/219010790.db2.gz LDZFEUSGPDYADK-ZLKJLUDKSA-N 1 1 307.350 1.767 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424987357 533092867 /nfs/dbraw/zinc/09/28/67/533092867.db2.gz ZEIAUJRUIVRKEU-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000352657692 285201998 /nfs/dbraw/zinc/20/19/98/285201998.db2.gz BYTRMFTTXVUSFK-ZIAGYGMSSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156550193 197122864 /nfs/dbraw/zinc/12/28/64/197122864.db2.gz HMLCGQICWRDYDC-GFCCVEGCSA-N 1 1 324.381 1.845 20 5 DDBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000156550314 197122672 /nfs/dbraw/zinc/12/26/72/197122672.db2.gz HMLCGQICWRDYDC-LBPRGKRZSA-N 1 1 324.381 1.845 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000352783384 285298337 /nfs/dbraw/zinc/29/83/37/285298337.db2.gz XYLTUYKSUSAAAS-GHMZBOCLSA-N 1 1 309.341 1.827 20 5 DDBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C2 ZINC000289730784 221185148 /nfs/dbraw/zinc/18/51/48/221185148.db2.gz GEIJVNDAKZHEDZ-GFCCVEGCSA-N 1 1 314.345 1.979 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487136443 292030136 /nfs/dbraw/zinc/03/01/36/292030136.db2.gz KKKYPRGMXKMULN-ZDUSSCGKSA-N 1 1 322.365 1.553 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000569453293 304355312 /nfs/dbraw/zinc/35/53/12/304355312.db2.gz UVMIDDYHOWZRER-CFVMTHIKSA-N 1 1 324.381 1.043 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000068085013 406614670 /nfs/dbraw/zinc/61/46/70/406614670.db2.gz DHUIVWJCBNAETD-ZDUSSCGKSA-N 1 1 323.397 1.420 20 5 DDBDMO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000048024594 407086213 /nfs/dbraw/zinc/08/62/13/407086213.db2.gz BHMJHIHRJPREAY-UHFFFAOYSA-N 1 1 307.350 1.691 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107891499 407381013 /nfs/dbraw/zinc/38/10/13/407381013.db2.gz ZXMACUPJXSDIOK-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000107893573 407381121 /nfs/dbraw/zinc/38/11/21/407381121.db2.gz WAQPDQPAJPCAAU-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO CN(C(=O)C[N@H+](C)CCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000111283073 407405925 /nfs/dbraw/zinc/40/59/25/407405925.db2.gz QKHADSYAABQBFV-UHFFFAOYSA-N 1 1 317.349 1.386 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000111283073 407405926 /nfs/dbraw/zinc/40/59/26/407405926.db2.gz QKHADSYAABQBFV-UHFFFAOYSA-N 1 1 317.349 1.386 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000127556404 407440109 /nfs/dbraw/zinc/44/01/09/407440109.db2.gz VCYGLGCKSWBMJE-CYBMUJFWSA-N 1 1 306.366 1.457 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000271024680 407475690 /nfs/dbraw/zinc/47/56/90/407475690.db2.gz ZHPTXHPKFPLLQM-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000271024680 407475694 /nfs/dbraw/zinc/47/56/94/407475694.db2.gz ZHPTXHPKFPLLQM-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000271024680 407475699 /nfs/dbraw/zinc/47/56/99/407475699.db2.gz ZHPTXHPKFPLLQM-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000271024680 407475703 /nfs/dbraw/zinc/47/57/03/407475703.db2.gz ZHPTXHPKFPLLQM-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000265766038 407441903 /nfs/dbraw/zinc/44/19/03/407441903.db2.gz HXKUGHMHIHDRDJ-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000265766038 407441912 /nfs/dbraw/zinc/44/19/12/407441912.db2.gz HXKUGHMHIHDRDJ-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152179952 407576548 /nfs/dbraw/zinc/57/65/48/407576548.db2.gz YOVHCXMAXUXUHX-AWEZNQCLSA-N 1 1 324.377 1.571 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cncnc3)C2)nc1 ZINC000128897325 407580545 /nfs/dbraw/zinc/58/05/45/407580545.db2.gz UPAFWZFKSHMWGZ-LBPRGKRZSA-N 1 1 300.322 1.466 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cncnc3)C2)nc1 ZINC000128897325 407580552 /nfs/dbraw/zinc/58/05/52/407580552.db2.gz UPAFWZFKSHMWGZ-LBPRGKRZSA-N 1 1 300.322 1.466 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000178859912 407630438 /nfs/dbraw/zinc/63/04/38/407630438.db2.gz WGOPHAAYUSPEPK-ZFWWWQNUSA-N 1 1 322.361 1.713 20 5 DDBDMO CC(C)C[C@@H](C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236656859 407740811 /nfs/dbraw/zinc/74/08/11/407740811.db2.gz KTEHFXJAYMTEIC-VIFPVBQESA-N 1 1 305.338 1.574 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462269 407882590 /nfs/dbraw/zinc/88/25/90/407882590.db2.gz FYIUYGNXLDKTMC-LBPRGKRZSA-N 1 1 321.381 1.344 20 5 DDBDMO CCN(CC)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173462269 407882592 /nfs/dbraw/zinc/88/25/92/407882592.db2.gz FYIUYGNXLDKTMC-LBPRGKRZSA-N 1 1 321.381 1.344 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000153728432 407887669 /nfs/dbraw/zinc/88/76/69/407887669.db2.gz BNSGCCFHOVSBRM-NSHDSACASA-N 1 1 309.370 1.049 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000153728432 407887673 /nfs/dbraw/zinc/88/76/73/407887673.db2.gz BNSGCCFHOVSBRM-NSHDSACASA-N 1 1 309.370 1.049 20 5 DDBDMO Cc1nc(NC2CC[NH+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268429981 408040990 /nfs/dbraw/zinc/04/09/90/408040990.db2.gz BAHFZVQOOBQHFL-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000263650637 408189474 /nfs/dbraw/zinc/18/94/74/408189474.db2.gz BLHQJCDYPVCCRW-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000263650637 408189482 /nfs/dbraw/zinc/18/94/82/408189482.db2.gz BLHQJCDYPVCCRW-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000273614877 408264979 /nfs/dbraw/zinc/26/49/79/408264979.db2.gz UUXCHKINBNQMHE-UHFFFAOYSA-N 1 1 315.377 1.922 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328120 408270551 /nfs/dbraw/zinc/27/05/51/408270551.db2.gz DMSYRUHWKIRJJX-GHMZBOCLSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328120 408270557 /nfs/dbraw/zinc/27/05/57/408270557.db2.gz DMSYRUHWKIRJJX-GHMZBOCLSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328120 408270560 /nfs/dbraw/zinc/27/05/60/408270560.db2.gz DMSYRUHWKIRJJX-GHMZBOCLSA-N 1 1 321.381 1.750 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000131941709 162026627 /nfs/dbraw/zinc/02/66/27/162026627.db2.gz OXYUEYIJUHKHFX-SECBINFHSA-N 1 1 321.366 1.079 20 5 DDBDMO CC[C@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(N)=O ZINC000133101960 162051004 /nfs/dbraw/zinc/05/10/04/162051004.db2.gz JWZNNTMLEDTFNM-AWEZNQCLSA-N 1 1 308.338 1.085 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000264160243 408385633 /nfs/dbraw/zinc/38/56/33/408385633.db2.gz NUFLGRCDBSGKMJ-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000183361230 408390485 /nfs/dbraw/zinc/39/04/85/408390485.db2.gz RKPFHHMQYKUIEB-MRXNPFEDSA-N 1 1 323.393 1.028 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177081911 408514251 /nfs/dbraw/zinc/51/42/51/408514251.db2.gz XZISOKHRSOTQCL-PSASIEDQSA-N 1 1 322.340 1.671 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177205443 408551263 /nfs/dbraw/zinc/55/12/63/408551263.db2.gz YFHHWYWDYAIPOT-WDEREUQCSA-N 1 1 319.361 1.958 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000275372754 408584046 /nfs/dbraw/zinc/58/40/46/408584046.db2.gz NSTMBWMPTMBHEY-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000275372754 408584049 /nfs/dbraw/zinc/58/40/49/408584049.db2.gz NSTMBWMPTMBHEY-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1O ZINC000275440845 408591091 /nfs/dbraw/zinc/59/10/91/408591091.db2.gz KIWNGPHITKOGML-CYBMUJFWSA-N 1 1 307.350 1.287 20 5 DDBDMO CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1O ZINC000275440845 408591096 /nfs/dbraw/zinc/59/10/96/408591096.db2.gz KIWNGPHITKOGML-CYBMUJFWSA-N 1 1 307.350 1.287 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000161369034 408593956 /nfs/dbraw/zinc/59/39/56/408593956.db2.gz AHUMEXGWCLDOTE-SKDRFNHKSA-N 1 1 324.356 1.775 20 5 DDBDMO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275888301 408709600 /nfs/dbraw/zinc/70/96/00/408709600.db2.gz PESXXSNKUGZJQQ-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249573344 408743463 /nfs/dbraw/zinc/74/34/63/408743463.db2.gz OWIIRDVAXMTBFR-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249573344 408743468 /nfs/dbraw/zinc/74/34/68/408743468.db2.gz OWIIRDVAXMTBFR-SMDDNHRTSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162188215 408676366 /nfs/dbraw/zinc/67/63/66/408676366.db2.gz QGPXBEOJJMUXCH-LBPRGKRZSA-N 1 1 323.397 1.570 20 5 DDBDMO COc1cccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000185382154 408802957 /nfs/dbraw/zinc/80/29/57/408802957.db2.gz CEIUICAYINOPFC-LBPRGKRZSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1cccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000185382154 408802961 /nfs/dbraw/zinc/80/29/61/408802961.db2.gz CEIUICAYINOPFC-LBPRGKRZSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583232 408746710 /nfs/dbraw/zinc/74/67/10/408746710.db2.gz RYCHDWKQRXKZHQ-SMDDNHRTSA-N 1 1 310.350 1.685 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)CC1(C)C ZINC000270943448 408752038 /nfs/dbraw/zinc/75/20/38/408752038.db2.gz SYAVUQZEMAFJSH-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290924349 408853104 /nfs/dbraw/zinc/85/31/04/408853104.db2.gz LBYNHUBEYRCVLI-LLVKDONJSA-N 1 1 311.386 1.335 20 5 DDBDMO COC(=O)c1cnc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000276603373 408891341 /nfs/dbraw/zinc/89/13/41/408891341.db2.gz RKWAURUKTXANDU-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CN1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191140681 163174891 /nfs/dbraw/zinc/17/48/91/163174891.db2.gz DWHMKOPUNNWMLZ-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO CN1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191140681 163174894 /nfs/dbraw/zinc/17/48/94/163174894.db2.gz DWHMKOPUNNWMLZ-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223735 408945005 /nfs/dbraw/zinc/94/50/05/408945005.db2.gz YVIGNNKPZVQCDH-BBRMVZONSA-N 1 1 305.378 1.890 20 5 DDBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286328474 408964391 /nfs/dbraw/zinc/96/43/91/408964391.db2.gz LHOVSEPJMQOGTQ-AAEUAGOBSA-N 1 1 306.366 1.476 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286380147 408974523 /nfs/dbraw/zinc/97/45/23/408974523.db2.gz GQCPNUWKIGOSSU-ZFWWWQNUSA-N 1 1 323.393 1.361 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292345717 409026277 /nfs/dbraw/zinc/02/62/77/409026277.db2.gz QJGFJSZJQQEMQF-HNNXBMFYSA-N 1 1 304.350 1.226 20 5 DDBDMO C[N@@H+]1CCN(CCNCc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000282369882 409042111 /nfs/dbraw/zinc/04/21/11/409042111.db2.gz NUHZKJGLCSWRAT-UHFFFAOYSA-N 1 1 312.439 1.772 20 5 DDBDMO C[N@H+]1CCN(CCNCc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000282369882 409042112 /nfs/dbraw/zinc/04/21/12/409042112.db2.gz NUHZKJGLCSWRAT-UHFFFAOYSA-N 1 1 312.439 1.772 20 5 DDBDMO CCc1nocc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000293507180 409127226 /nfs/dbraw/zinc/12/72/26/409127226.db2.gz UVHDVNAKAOQBET-UHFFFAOYSA-N 1 1 306.322 1.439 20 5 DDBDMO CCc1nocc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000293507180 409127228 /nfs/dbraw/zinc/12/72/28/409127228.db2.gz UVHDVNAKAOQBET-UHFFFAOYSA-N 1 1 306.322 1.439 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[N@H+]1C1CC1 ZINC000279492337 409224038 /nfs/dbraw/zinc/22/40/38/409224038.db2.gz RSEFPJUUPNLAIC-IUCAKERBSA-N 1 1 322.340 1.671 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000289385049 409258457 /nfs/dbraw/zinc/25/84/57/409258457.db2.gz JNHSNIXSKTVLAI-UHFFFAOYSA-N 1 1 314.455 1.972 20 5 DDBDMO CN(CCCN(C)Cc1csc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289385049 409258460 /nfs/dbraw/zinc/25/84/60/409258460.db2.gz JNHSNIXSKTVLAI-UHFFFAOYSA-N 1 1 314.455 1.972 20 5 DDBDMO C[C@@H]1Cc2[nH+]cn(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)c2C[C@H]1C ZINC000295067199 409312327 /nfs/dbraw/zinc/31/23/27/409312327.db2.gz CGWUPRPRYITLLO-WZRBSPASSA-N 1 1 319.365 1.420 20 5 DDBDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296047295 409411800 /nfs/dbraw/zinc/41/18/00/409411800.db2.gz NMOJVCZPCHMFCC-CYBMUJFWSA-N 1 1 321.377 1.677 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1csc([N+](=O)[O-])c1 ZINC000295306888 409425549 /nfs/dbraw/zinc/42/55/49/409425549.db2.gz BNKRSGXQZUQOBM-LLVKDONJSA-N 1 1 313.379 1.233 20 5 DDBDMO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000295304711 409426038 /nfs/dbraw/zinc/42/60/38/409426038.db2.gz BGBLOPFIFJZDIP-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408069490 164216673 /nfs/dbraw/zinc/21/66/73/164216673.db2.gz BVJUOJIYYHSDGS-WDEREUQCSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408069490 164216674 /nfs/dbraw/zinc/21/66/74/164216674.db2.gz BVJUOJIYYHSDGS-WDEREUQCSA-N 1 1 309.370 1.077 20 5 DDBDMO COC[C@@H]1CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354057803 409615219 /nfs/dbraw/zinc/61/52/19/409615219.db2.gz ZZPHDSUWZJNXFC-LBPRGKRZSA-N 1 1 324.333 1.367 20 5 DDBDMO COC[C@@H]1CC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000354057803 409615225 /nfs/dbraw/zinc/61/52/25/409615225.db2.gz ZZPHDSUWZJNXFC-LBPRGKRZSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000297192638 409845261 /nfs/dbraw/zinc/84/52/61/409845261.db2.gz QTVQEBQRQBCNKP-GFCCVEGCSA-N 1 1 307.350 1.674 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357005083 409785080 /nfs/dbraw/zinc/78/50/80/409785080.db2.gz QVOWUVYVELQHLJ-CHWSQXEVSA-N 1 1 320.393 1.582 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224435 409862922 /nfs/dbraw/zinc/86/29/22/409862922.db2.gz NUHFUYOGNIDLPV-DMDPSCGWSA-N 1 1 306.366 1.725 20 5 DDBDMO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000354479355 409883796 /nfs/dbraw/zinc/88/37/96/409883796.db2.gz NQKIWLYTLJJYEW-NSHDSACASA-N 1 1 304.350 1.486 20 5 DDBDMO COc1cc(Cc2noc([C@H]3CC[N@@H+](C)C3)n2)ccc1[N+](=O)[O-] ZINC000350154635 409927915 /nfs/dbraw/zinc/92/79/15/409927915.db2.gz DXFXTFSVPRWMJF-NSHDSACASA-N 1 1 318.333 1.996 20 5 DDBDMO CC(C)(C)OCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297564497 409928689 /nfs/dbraw/zinc/92/86/89/409928689.db2.gz BKAWCYSGRNKCJS-UHFFFAOYSA-N 1 1 308.382 1.927 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC=C(C)CC2)n1 ZINC000342848640 409946614 /nfs/dbraw/zinc/94/66/14/409946614.db2.gz IOPVVKKZYMXXKL-UHFFFAOYSA-N 1 1 320.349 1.840 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000354580874 409948394 /nfs/dbraw/zinc/94/83/94/409948394.db2.gz DCVPVFAROQESSF-NWDGAFQWSA-N 1 1 319.361 1.960 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000297947088 410056242 /nfs/dbraw/zinc/05/62/42/410056242.db2.gz SMTCVPCZEHHDJH-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000343110955 410155280 /nfs/dbraw/zinc/15/52/80/410155280.db2.gz YVGJCOIKKMOVCK-ABAIWWIYSA-N 1 1 319.361 1.382 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000358051311 410347253 /nfs/dbraw/zinc/34/72/53/410347253.db2.gz BXOOBXXHFOGSMI-UHFFFAOYSA-N 1 1 319.361 1.742 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000351976392 410386515 /nfs/dbraw/zinc/38/65/15/410386515.db2.gz ATFIGOTVKOQBJI-ZDUSSCGKSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000351976392 410386520 /nfs/dbraw/zinc/38/65/20/410386520.db2.gz ATFIGOTVKOQBJI-ZDUSSCGKSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1c(C(=O)N[C@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000358400029 410462585 /nfs/dbraw/zinc/46/25/85/410462585.db2.gz VYQLIMAVNYBWMU-VIFPVBQESA-N 1 1 316.317 1.614 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@@H]1CCO ZINC000347391513 410517634 /nfs/dbraw/zinc/51/76/34/410517634.db2.gz PLKWOBLLBXTRQN-LBPRGKRZSA-N 1 1 312.391 1.773 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCC[N@H+]1C ZINC000343583803 410551618 /nfs/dbraw/zinc/55/16/18/410551618.db2.gz ZKEAPTRZIIRKNT-MWLCHTKSSA-N 1 1 321.333 1.536 20 5 DDBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)C2 ZINC000301127173 410662308 /nfs/dbraw/zinc/66/23/08/410662308.db2.gz OXUWJRZXEGKRMG-VIFPVBQESA-N 1 1 316.321 1.021 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343690213 410622954 /nfs/dbraw/zinc/62/29/54/410622954.db2.gz MEPQRNIWZWMDDO-HNNXBMFYSA-N 1 1 308.334 1.483 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343690213 410622959 /nfs/dbraw/zinc/62/29/59/410622959.db2.gz MEPQRNIWZWMDDO-HNNXBMFYSA-N 1 1 308.334 1.483 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352361263 410646420 /nfs/dbraw/zinc/64/64/20/410646420.db2.gz QQDFKBUHXQKLTA-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000352362212 410647701 /nfs/dbraw/zinc/64/77/01/410647701.db2.gz VBKYGELFFKIBLC-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000352362212 410647707 /nfs/dbraw/zinc/64/77/07/410647707.db2.gz VBKYGELFFKIBLC-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000301400405 410714972 /nfs/dbraw/zinc/71/49/72/410714972.db2.gz IGQXZXPSTWGWOC-ZDUSSCGKSA-N 1 1 308.382 1.845 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000330419125 410679189 /nfs/dbraw/zinc/67/91/89/410679189.db2.gz CFSONBMJNZMYLS-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000330419125 410679192 /nfs/dbraw/zinc/67/91/92/410679192.db2.gz CFSONBMJNZMYLS-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1nn(CCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605532 410822354 /nfs/dbraw/zinc/82/23/54/410822354.db2.gz ZDVYNUWHKZJQQQ-QWRGUYRKSA-N 1 1 323.397 1.349 20 5 DDBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679904 410873696 /nfs/dbraw/zinc/87/36/96/410873696.db2.gz YESWMKLXPYYBOU-PWSUYJOCSA-N 1 1 309.366 1.881 20 5 DDBDMO CC(=O)NC1CCC([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000344034192 410907641 /nfs/dbraw/zinc/90/76/41/410907641.db2.gz GUDXJVRDKJDSCQ-UHFFFAOYSA-N 1 1 309.370 1.170 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341242895 410961268 /nfs/dbraw/zinc/96/12/68/410961268.db2.gz XMZCJYDKTSSBKO-CYBMUJFWSA-N 1 1 320.393 1.873 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)o1 ZINC000359974848 410978278 /nfs/dbraw/zinc/97/82/78/410978278.db2.gz PLDGINFVUMTOQM-NEPJUHHUSA-N 1 1 318.329 1.782 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353541170 411054017 /nfs/dbraw/zinc/05/40/17/411054017.db2.gz HGMBXELDGAIJMV-AWEZNQCLSA-N 1 1 316.361 1.922 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331293361 411062333 /nfs/dbraw/zinc/06/23/33/411062333.db2.gz LVBGSHHWWQYMRX-UHFFFAOYSA-N 1 1 323.397 1.489 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353481952 411020429 /nfs/dbraw/zinc/02/04/29/411020429.db2.gz LJACMTPSTPSCJC-UHFFFAOYSA-N 1 1 323.349 1.387 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353481952 411020434 /nfs/dbraw/zinc/02/04/34/411020434.db2.gz LJACMTPSTPSCJC-UHFFFAOYSA-N 1 1 323.349 1.387 20 5 DDBDMO Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c(F)cc1[N+](=O)[O-] ZINC000360054363 411022941 /nfs/dbraw/zinc/02/29/41/411022941.db2.gz SVEKSMPTHXNQPY-LBPRGKRZSA-N 1 1 311.357 1.935 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000131399387 196164677 /nfs/dbraw/zinc/16/46/77/196164677.db2.gz JZIYPCPQEGUCOT-HNNXBMFYSA-N 1 1 321.377 1.562 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131549101 196178766 /nfs/dbraw/zinc/17/87/66/196178766.db2.gz GDWLWISYATYZGK-CQSZACIVSA-N 1 1 321.377 1.052 20 5 DDBDMO CNc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361220808 418608432 /nfs/dbraw/zinc/60/84/32/418608432.db2.gz MNRSOIYXDAIYCS-LBPRGKRZSA-N 1 1 318.377 1.945 20 5 DDBDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361408564 418645219 /nfs/dbraw/zinc/64/52/19/418645219.db2.gz OOKVKJNNYSBSBJ-GFCCVEGCSA-N 1 1 318.333 1.990 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361408564 418645220 /nfs/dbraw/zinc/64/52/20/418645220.db2.gz OOKVKJNNYSBSBJ-GFCCVEGCSA-N 1 1 318.333 1.990 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C1 ZINC000361362590 418635725 /nfs/dbraw/zinc/63/57/25/418635725.db2.gz UDTLKZJMRWVYEJ-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468282 418778213 /nfs/dbraw/zinc/77/82/13/418778213.db2.gz ZOLKBZIFPFNPDL-UONOGXRCSA-N 1 1 305.334 1.188 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2cnc[nH]2)CC1 ZINC000372013666 418831509 /nfs/dbraw/zinc/83/15/09/418831509.db2.gz PCXUAICIIBOFPZ-UHFFFAOYSA-N 1 1 301.306 1.733 20 5 DDBDMO CCCC(=O)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000365824942 418913571 /nfs/dbraw/zinc/91/35/71/418913571.db2.gz MFOCXVSIFMYZSO-UHFFFAOYSA-N 1 1 309.370 1.126 20 5 DDBDMO CCCC(=O)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000365824942 418913572 /nfs/dbraw/zinc/91/35/72/418913572.db2.gz MFOCXVSIFMYZSO-UHFFFAOYSA-N 1 1 309.370 1.126 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000365848496 418916246 /nfs/dbraw/zinc/91/62/46/418916246.db2.gz QFUIPEZKRCNXNL-INIZCTEOSA-N 1 1 316.361 1.427 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411567116 419346752 /nfs/dbraw/zinc/34/67/52/419346752.db2.gz IUQOTEKZTCMPIP-ZDUSSCGKSA-N 1 1 307.350 1.770 20 5 DDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420970689 419392929 /nfs/dbraw/zinc/39/29/29/419392929.db2.gz GVFIVGLNHMJEFY-VIFPVBQESA-N 1 1 303.322 1.039 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420970689 419392932 /nfs/dbraw/zinc/39/29/32/419392932.db2.gz GVFIVGLNHMJEFY-VIFPVBQESA-N 1 1 303.322 1.039 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000420970435 419393536 /nfs/dbraw/zinc/39/35/36/419393536.db2.gz GGCGKUSMWZXDKZ-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411948239 419512478 /nfs/dbraw/zinc/51/24/78/419512478.db2.gz UOMRNIVGVCFORE-GFCCVEGCSA-N 1 1 307.350 1.384 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1 ZINC000427393464 419652886 /nfs/dbraw/zinc/65/28/86/419652886.db2.gz ZZDSLKBDXISRBV-GHMZBOCLSA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1 ZINC000427393464 419652889 /nfs/dbraw/zinc/65/28/89/419652889.db2.gz ZZDSLKBDXISRBV-GHMZBOCLSA-N 1 1 309.370 1.366 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000299561418 229211123 /nfs/dbraw/zinc/21/11/23/229211123.db2.gz UBBVREAHYMURGW-QMMMGPOBSA-N 1 1 306.326 1.197 20 5 DDBDMO Cn1cc(CN2CC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435393498 229380330 /nfs/dbraw/zinc/38/03/30/229380330.db2.gz GEMMPRQJSGIZDN-GFCCVEGCSA-N 1 1 315.377 1.776 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CCC1 ZINC000423316022 420011710 /nfs/dbraw/zinc/01/17/10/420011710.db2.gz BNFMLAVVWBPPQV-LLVKDONJSA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCC1 ZINC000423316022 420011716 /nfs/dbraw/zinc/01/17/16/420011716.db2.gz BNFMLAVVWBPPQV-LLVKDONJSA-N 1 1 306.366 1.783 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000430198462 420090902 /nfs/dbraw/zinc/09/09/02/420090902.db2.gz YNWHQGFIFJYYCB-HNNXBMFYSA-N 1 1 324.333 1.415 20 5 DDBDMO CC(C)[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000420317821 420203442 /nfs/dbraw/zinc/20/34/42/420203442.db2.gz OCGRGVVUGGHNEF-UHFFFAOYSA-N 1 1 306.410 1.710 20 5 DDBDMO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430934693 420213617 /nfs/dbraw/zinc/21/36/17/420213617.db2.gz QLSGWTAZUQJVGN-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015914 420306546 /nfs/dbraw/zinc/30/65/46/420306546.db2.gz NIMYRURNZZBLPF-ZJUUUORDSA-N 1 1 309.370 1.327 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000452069491 420620777 /nfs/dbraw/zinc/62/07/77/420620777.db2.gz PZPKGFHNALMULA-VXGBXAGGSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000492718833 420639942 /nfs/dbraw/zinc/63/99/42/420639942.db2.gz LUKSVFFKQPLLRU-FWWRYZNZSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000492718833 420639944 /nfs/dbraw/zinc/63/99/44/420639944.db2.gz LUKSVFFKQPLLRU-FWWRYZNZSA-N 1 1 319.361 1.133 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000454269363 420827017 /nfs/dbraw/zinc/82/70/17/420827017.db2.gz FNSCDMOKEDHGAP-AWEZNQCLSA-N 1 1 322.365 1.563 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448946432 420920049 /nfs/dbraw/zinc/92/00/49/420920049.db2.gz NQGFJHSGKAWBDT-VIFPVBQESA-N 1 1 311.313 1.519 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000448946432 420920050 /nfs/dbraw/zinc/92/00/50/420920050.db2.gz NQGFJHSGKAWBDT-VIFPVBQESA-N 1 1 311.313 1.519 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000455200296 420982055 /nfs/dbraw/zinc/98/20/55/420982055.db2.gz VJMGOEJDVFQUJN-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000455200296 420982058 /nfs/dbraw/zinc/98/20/58/420982058.db2.gz VJMGOEJDVFQUJN-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@H]1C ZINC000456006770 421088114 /nfs/dbraw/zinc/08/81/14/421088114.db2.gz CCMFUHDDPZHRBU-GHMZBOCLSA-N 1 1 321.381 1.586 20 5 DDBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000490047927 421186871 /nfs/dbraw/zinc/18/68/71/421186871.db2.gz UIAHOWLYCFDBOA-ZDUSSCGKSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965930 421432077 /nfs/dbraw/zinc/43/20/77/421432077.db2.gz QFJRQASTGQOUDI-CHWSQXEVSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965930 421432078 /nfs/dbraw/zinc/43/20/78/421432078.db2.gz QFJRQASTGQOUDI-CHWSQXEVSA-N 1 1 321.377 1.223 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000548955263 421488642 /nfs/dbraw/zinc/48/86/42/421488642.db2.gz ZACBQHAHPAFBLT-STQMWFEESA-N 1 1 315.333 1.493 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518313422 421646499 /nfs/dbraw/zinc/64/64/99/421646499.db2.gz AVAQGOUMYAXZHL-CYBMUJFWSA-N 1 1 322.365 1.367 20 5 DDBDMO CNc1nccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000571223179 421697521 /nfs/dbraw/zinc/69/75/21/421697521.db2.gz SKIQUBIXDXCMOY-UHFFFAOYSA-N 1 1 321.381 1.636 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823143 421671310 /nfs/dbraw/zinc/67/13/10/421671310.db2.gz IIRUFYPNYNHLON-NSHDSACASA-N 1 1 321.381 1.518 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000521988069 421810218 /nfs/dbraw/zinc/81/02/18/421810218.db2.gz FLBSVNJCRMWWQQ-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000521988069 421810223 /nfs/dbraw/zinc/81/02/23/421810223.db2.gz FLBSVNJCRMWWQQ-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000521988069 421810227 /nfs/dbraw/zinc/81/02/27/421810227.db2.gz FLBSVNJCRMWWQQ-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000541349086 421791142 /nfs/dbraw/zinc/79/11/42/421791142.db2.gz QHRWNWNTMHZFTP-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589560 422602331 /nfs/dbraw/zinc/60/23/31/422602331.db2.gz ZVUCRLSZDBDBCQ-UKRRQHHQSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589560 422602336 /nfs/dbraw/zinc/60/23/36/422602336.db2.gz ZVUCRLSZDBDBCQ-UKRRQHHQSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589560 422602344 /nfs/dbraw/zinc/60/23/44/422602344.db2.gz ZVUCRLSZDBDBCQ-UKRRQHHQSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000183918624 263383062 /nfs/dbraw/zinc/38/30/62/263383062.db2.gz MINOZUBZJMKLNA-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000341782272 271211030 /nfs/dbraw/zinc/21/10/30/271211030.db2.gz ZJDIWIRLMFCPFS-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000341782272 271211033 /nfs/dbraw/zinc/21/10/33/271211033.db2.gz ZJDIWIRLMFCPFS-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344650267 272079619 /nfs/dbraw/zinc/07/96/19/272079619.db2.gz WSCPQTMEOUJZFR-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000339395812 276220651 /nfs/dbraw/zinc/22/06/51/276220651.db2.gz LYMRGMPUKVYWSK-HOTGVXAUSA-N 1 1 305.378 1.890 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193278564 280395643 /nfs/dbraw/zinc/39/56/43/280395643.db2.gz JTAWLNKVDRGRQN-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000126038390 281224255 /nfs/dbraw/zinc/22/42/55/281224255.db2.gz KGURSSPIIOIYIP-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261893669 304603180 /nfs/dbraw/zinc/60/31/80/304603180.db2.gz FWFOWWCLUNEZEA-LBPRGKRZSA-N 1 1 318.358 1.838 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]2O1 ZINC000368521638 301047895 /nfs/dbraw/zinc/04/78/95/301047895.db2.gz HJUXUHPKLRDUOJ-BFHYXJOUSA-N 1 1 324.381 1.184 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369311310 301162245 /nfs/dbraw/zinc/16/22/45/301162245.db2.gz FVLQDMTUFRHAHJ-LBPRGKRZSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369311310 301162247 /nfs/dbraw/zinc/16/22/47/301162247.db2.gz FVLQDMTUFRHAHJ-LBPRGKRZSA-N 1 1 310.354 1.061 20 5 DDBDMO COC(=O)CN1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370030438 301261880 /nfs/dbraw/zinc/26/18/80/301261880.db2.gz YMQBZJKWNWKWGP-ZDUSSCGKSA-N 1 1 321.377 1.837 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000532913477 303301866 /nfs/dbraw/zinc/30/18/66/303301866.db2.gz FHWDBHZJXBSXAP-SNVBAGLBSA-N 1 1 309.370 1.513 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000536022462 303353978 /nfs/dbraw/zinc/35/39/78/303353978.db2.gz WLWGGIDSBVRANN-UHFFFAOYSA-N 1 1 321.406 1.671 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000365078311 307057993 /nfs/dbraw/zinc/05/79/93/307057993.db2.gz STZDXCWYRUIEIG-MFKMUULPSA-N 1 1 320.349 1.307 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366633686 307078117 /nfs/dbraw/zinc/07/81/17/307078117.db2.gz CKYCFGSEKRTCIW-OCCSQVGLSA-N 1 1 319.409 1.777 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000368615218 307106415 /nfs/dbraw/zinc/10/64/15/307106415.db2.gz UBACVBSOXWMGML-GARJFASQSA-N 1 1 321.381 1.470 20 5 DDBDMO O=C1NC[C@]2(CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034071 307114611 /nfs/dbraw/zinc/11/46/11/307114611.db2.gz CIDVDKFTDUXVSS-HIFRSBDPSA-N 1 1 321.333 1.203 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034071 307114612 /nfs/dbraw/zinc/11/46/12/307114612.db2.gz CIDVDKFTDUXVSS-HIFRSBDPSA-N 1 1 321.333 1.203 20 5 DDBDMO CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105552 307178750 /nfs/dbraw/zinc/17/87/50/307178750.db2.gz AMDVVFHJZAYRGF-TZMCWYRMSA-N 1 1 312.370 1.216 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000373973974 307198729 /nfs/dbraw/zinc/19/87/29/307198729.db2.gz CLLMSHQCONJHFL-ZBINZKHDSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000373973974 307198730 /nfs/dbraw/zinc/19/87/30/307198730.db2.gz CLLMSHQCONJHFL-ZBINZKHDSA-N 1 1 319.361 1.689 20 5 DDBDMO C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000567345834 308078453 /nfs/dbraw/zinc/07/84/53/308078453.db2.gz VTVMCALZTVGXPL-NFAWXSAZSA-N 1 1 323.393 1.407 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168849 308264025 /nfs/dbraw/zinc/26/40/25/308264025.db2.gz KUTFCXRCVTYYPU-SWLSCSKDSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168849 308264026 /nfs/dbraw/zinc/26/40/26/308264026.db2.gz KUTFCXRCVTYYPU-SWLSCSKDSA-N 1 1 311.382 1.185 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361591239 484521753 /nfs/dbraw/zinc/52/17/53/484521753.db2.gz YPNRDUHHDYWNKI-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000364 533987989 /nfs/dbraw/zinc/98/79/89/533987989.db2.gz OGAHVCDWMXBZHS-QWRGUYRKSA-N 1 1 319.365 1.362 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821254661 606701231 /nfs/dbraw/zinc/70/12/31/606701231.db2.gz OFNLYDRCDBIFEL-SECBINFHSA-N 1 1 318.341 1.066 20 5 DDBDMO CC[N@@H+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC000821214817 606706188 /nfs/dbraw/zinc/70/61/88/606706188.db2.gz MCPSLBRJINCUMM-UHFFFAOYSA-N 1 1 318.341 1.066 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108298493 696633396 /nfs/dbraw/zinc/63/33/96/696633396.db2.gz NDQRTCFYLXDGDM-GFCCVEGCSA-N 1 1 307.325 1.948 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000108342960 696633605 /nfs/dbraw/zinc/63/36/05/696633605.db2.gz NOQQHHRJWJYGMF-JTQLQIEISA-N 1 1 322.321 1.575 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000157008883 696972011 /nfs/dbraw/zinc/97/20/11/696972011.db2.gz RHWHRAMJWQRCDA-UHFFFAOYSA-N 1 1 305.338 1.360 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582442 698121736 /nfs/dbraw/zinc/12/17/36/698121736.db2.gz QOYVJOBTSZLIDS-GXTWGEPZSA-N 1 1 307.350 1.086 20 5 DDBDMO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000778295534 698258084 /nfs/dbraw/zinc/25/80/84/698258084.db2.gz QRBZYAUOVZVNFY-HONMWMINSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000778295534 698258085 /nfs/dbraw/zinc/25/80/85/698258085.db2.gz QRBZYAUOVZVNFY-HONMWMINSA-N 1 1 307.350 1.214 20 5 DDBDMO Cc1nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000247045969 698360086 /nfs/dbraw/zinc/36/00/86/698360086.db2.gz MZAGRNWYCZOTBP-UONOGXRCSA-N 1 1 307.398 1.782 20 5 DDBDMO CCN1C(=O)CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866335 700251069 /nfs/dbraw/zinc/25/10/69/700251069.db2.gz FMAFZHNMGPADOS-UHFFFAOYSA-N 1 1 320.349 1.311 20 5 DDBDMO CCN1C(=O)CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866335 700251071 /nfs/dbraw/zinc/25/10/71/700251071.db2.gz FMAFZHNMGPADOS-UHFFFAOYSA-N 1 1 320.349 1.311 20 5 DDBDMO COCC[NH+]1CCC(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788563809 699324345 /nfs/dbraw/zinc/32/43/45/699324345.db2.gz NWJPDLPOPIKBCY-GFCCVEGCSA-N 1 1 322.409 1.938 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)NC ZINC000735868540 699707535 /nfs/dbraw/zinc/70/75/35/699707535.db2.gz SABMKXXQWBQZGJ-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000744462367 699950151 /nfs/dbraw/zinc/95/01/51/699950151.db2.gz IFSPUBNESRLUHA-UHFFFAOYSA-N 1 1 305.338 1.683 20 5 DDBDMO CC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809570845 701670344 /nfs/dbraw/zinc/67/03/44/701670344.db2.gz CARMAPRRGRHETE-OAHLLOKOSA-N 1 1 307.350 1.057 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000763107880 700925875 /nfs/dbraw/zinc/92/58/75/700925875.db2.gz GFFBFTYXBOLSLQ-UHFFFAOYSA-N 1 1 304.306 1.929 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804396398 701185987 /nfs/dbraw/zinc/18/59/87/701185987.db2.gz HFJVLQHZTHVVKU-MNOVXSKESA-N 1 1 322.321 1.778 20 5 DDBDMO COc1cccc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000769607413 701250240 /nfs/dbraw/zinc/25/02/40/701250240.db2.gz WTKBYQYZUPMAOR-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839700087 701789555 /nfs/dbraw/zinc/78/95/55/701789555.db2.gz JIUGHIHINDJBTI-LCGIIJARSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000839700087 701789558 /nfs/dbraw/zinc/78/95/58/701789558.db2.gz JIUGHIHINDJBTI-LCGIIJARSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839700087 701789562 /nfs/dbraw/zinc/78/95/62/701789562.db2.gz JIUGHIHINDJBTI-LCGIIJARSA-N 1 1 317.389 1.821 20 5 DDBDMO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708466 701792134 /nfs/dbraw/zinc/79/21/34/701792134.db2.gz XQDVXCIUBIQITM-ZIAGYGMSSA-N 1 1 309.341 1.381 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000810614484 701801197 /nfs/dbraw/zinc/80/11/97/701801197.db2.gz COMQGFMZYIILNK-JTQLQIEISA-N 1 1 307.310 1.318 20 5 DDBDMO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839758341 701812724 /nfs/dbraw/zinc/81/27/24/701812724.db2.gz SDEPVRDQNMVRLO-ZIAGYGMSSA-N 1 1 309.410 1.814 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)CC[C@@H]21 ZINC000866209019 706649209 /nfs/dbraw/zinc/64/92/09/706649209.db2.gz NEVSYRSBRFUYLY-GWCFXTLKSA-N 1 1 309.341 1.757 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000868717207 702283633 /nfs/dbraw/zinc/28/36/33/702283633.db2.gz LYTJISKFSQWZCU-YPMHNXCESA-N 1 1 307.325 1.439 20 5 DDBDMO [NH3+]CC(F)(F)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841060319 702330194 /nfs/dbraw/zinc/33/01/94/702330194.db2.gz UUXGHTPOWLHLGQ-UHFFFAOYSA-N 1 1 314.336 1.747 20 5 DDBDMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c(N)c([N+](=O)[O-])c1 ZINC000817677554 702447968 /nfs/dbraw/zinc/44/79/68/702447968.db2.gz XYAUDSJEAVRPAH-LLVKDONJSA-N 1 1 306.366 1.652 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(C[NH2+]C3CC3)n2)c1 ZINC000843222893 702845195 /nfs/dbraw/zinc/84/51/95/702845195.db2.gz MMLIMSZWDUGKQW-UHFFFAOYSA-N 1 1 304.306 1.829 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C1CC1 ZINC000844765506 703071156 /nfs/dbraw/zinc/07/11/56/703071156.db2.gz SPBUSGAEHVRQQS-NWDGAFQWSA-N 1 1 308.338 1.188 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C[C@H]1C1CC1 ZINC000844765506 703071159 /nfs/dbraw/zinc/07/11/59/703071159.db2.gz SPBUSGAEHVRQQS-NWDGAFQWSA-N 1 1 308.338 1.188 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000845741123 703195998 /nfs/dbraw/zinc/19/59/98/703195998.db2.gz RXVFZFAGAJTKQP-LLVKDONJSA-N 1 1 310.354 1.597 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000879583217 706727617 /nfs/dbraw/zinc/72/76/17/706727617.db2.gz WQDKDLMIMHYUNA-IAQYHMDHSA-N 1 1 315.377 1.997 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000846176800 703246946 /nfs/dbraw/zinc/24/69/46/703246946.db2.gz IDZLPBZMHKIENL-ZIAGYGMSSA-N 1 1 306.366 1.027 20 5 DDBDMO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846176800 703246948 /nfs/dbraw/zinc/24/69/48/703246948.db2.gz IDZLPBZMHKIENL-ZIAGYGMSSA-N 1 1 306.366 1.027 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846176800 703246950 /nfs/dbraw/zinc/24/69/50/703246950.db2.gz IDZLPBZMHKIENL-ZIAGYGMSSA-N 1 1 306.366 1.027 20 5 DDBDMO CC(C)[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000847784446 703466213 /nfs/dbraw/zinc/46/62/13/703466213.db2.gz SEVXRJPGRNOCEW-CYBMUJFWSA-N 1 1 324.381 1.882 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCOC(F)F)CC2)c1 ZINC000851729242 703838935 /nfs/dbraw/zinc/83/89/35/703838935.db2.gz IWJFMICWMNWHLH-UHFFFAOYSA-N 1 1 301.293 1.956 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000869801140 703854872 /nfs/dbraw/zinc/85/48/72/703854872.db2.gz FGDYLNBIFMJXDH-DTZQCDIJSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801140 703854875 /nfs/dbraw/zinc/85/48/75/703854875.db2.gz FGDYLNBIFMJXDH-DTZQCDIJSA-N 1 1 317.389 1.536 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869801140 703854878 /nfs/dbraw/zinc/85/48/78/703854878.db2.gz FGDYLNBIFMJXDH-DTZQCDIJSA-N 1 1 317.389 1.536 20 5 DDBDMO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981754 704041927 /nfs/dbraw/zinc/04/19/27/704041927.db2.gz YFTGFRGSOQYMPU-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981754 704041931 /nfs/dbraw/zinc/04/19/31/704041931.db2.gz YFTGFRGSOQYMPU-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO COC(=O)N(C)CC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000852570898 704077821 /nfs/dbraw/zinc/07/78/21/704077821.db2.gz HEAPRGRNOUAKSU-UHFFFAOYSA-N 1 1 311.338 1.733 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000852570898 704077823 /nfs/dbraw/zinc/07/78/23/704077823.db2.gz HEAPRGRNOUAKSU-UHFFFAOYSA-N 1 1 311.338 1.733 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000870896147 704160897 /nfs/dbraw/zinc/16/08/97/704160897.db2.gz QVAFANUXCFBHJU-GUTXKFCHSA-N 1 1 305.334 1.159 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853064145 704191267 /nfs/dbraw/zinc/19/12/67/704191267.db2.gz FDTCNIAXLLGCNM-QMMMGPOBSA-N 1 1 321.175 1.255 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000853246670 704224563 /nfs/dbraw/zinc/22/45/63/704224563.db2.gz PHZUMFAARPFDOW-UHFFFAOYSA-N 1 1 316.405 1.905 20 5 DDBDMO COCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492088 704249061 /nfs/dbraw/zinc/24/90/61/704249061.db2.gz FZCUFMLENCVOJI-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO COCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492088 704249065 /nfs/dbraw/zinc/24/90/65/704249065.db2.gz FZCUFMLENCVOJI-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC(C[NH+]2CCOCC2)C1 ZINC000853640486 704291612 /nfs/dbraw/zinc/29/16/12/704291612.db2.gz INDUEASTWLIYQE-UHFFFAOYSA-N 1 1 322.321 1.271 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874005898 704918016 /nfs/dbraw/zinc/91/80/16/704918016.db2.gz JSOJDXAHWYHGRM-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO CNc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874833538 705191559 /nfs/dbraw/zinc/19/15/59/705191559.db2.gz LUCXSJHPRPNANT-OLZOCXBDSA-N 1 1 318.377 1.945 20 5 DDBDMO Nc1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000823950699 705344088 /nfs/dbraw/zinc/34/40/88/705344088.db2.gz JQGMYQKKQCDBBF-UHFFFAOYSA-N 1 1 305.338 1.560 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861032007 705352985 /nfs/dbraw/zinc/35/29/85/705352985.db2.gz GSPUXGCNGNBKDG-AWEZNQCLSA-N 1 1 308.334 1.862 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505809 705683545 /nfs/dbraw/zinc/68/35/45/705683545.db2.gz WJPDOLFFQPLBBE-DOMZBBRYSA-N 1 1 321.377 1.476 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777197 705729604 /nfs/dbraw/zinc/72/96/04/705729604.db2.gz RFSZPCQOXBVXDG-FZMZJTMJSA-N 1 1 307.350 1.086 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000863338823 705906424 /nfs/dbraw/zinc/90/64/24/705906424.db2.gz WWUKUPNAOUHMCM-ZYHUDNBSSA-N 1 1 302.290 1.007 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000863338823 705906429 /nfs/dbraw/zinc/90/64/29/705906429.db2.gz WWUKUPNAOUHMCM-ZYHUDNBSSA-N 1 1 302.290 1.007 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCN(C4CC4)C3)C2)c1 ZINC000876930256 705928846 /nfs/dbraw/zinc/92/88/46/705928846.db2.gz UPOAZEQOUPRXCS-LKSINWNRSA-N 1 1 305.382 1.569 20 5 DDBDMO CN(CC1=CCSC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876978131 705946652 /nfs/dbraw/zinc/94/66/52/705946652.db2.gz HDEZBHCNPCIYDD-OAHLLOKOSA-N 1 1 321.402 1.900 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300344 705971166 /nfs/dbraw/zinc/97/11/66/705971166.db2.gz MJACEPXRDOTZIK-ZBFHGGJFSA-N 1 1 317.389 1.998 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1Cl ZINC000827475166 706010014 /nfs/dbraw/zinc/01/00/14/706010014.db2.gz UJXZFPXEKVTBKA-UHFFFAOYSA-N 1 1 300.742 1.425 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC(CO)(CO)C2)cc1Cl ZINC000827475166 706010017 /nfs/dbraw/zinc/01/00/17/706010017.db2.gz UJXZFPXEKVTBKA-UHFFFAOYSA-N 1 1 300.742 1.425 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877836272 706227398 /nfs/dbraw/zinc/22/73/98/706227398.db2.gz SDDYOFMDYWTCHF-CYBMUJFWSA-N 1 1 322.361 1.974 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881915338 707423332 /nfs/dbraw/zinc/42/33/32/707423332.db2.gz LMGZINVJFMMSBM-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000829261957 706310756 /nfs/dbraw/zinc/31/07/56/706310756.db2.gz QRXDTIZWXNGNJY-HUUCEWRRSA-N 1 1 324.402 1.836 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000829261957 706310760 /nfs/dbraw/zinc/31/07/60/706310760.db2.gz QRXDTIZWXNGNJY-HUUCEWRRSA-N 1 1 324.402 1.836 20 5 DDBDMO COc1cccc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000865998673 706589890 /nfs/dbraw/zinc/58/98/90/706589890.db2.gz QXXOCEWEMRHZPI-NSHDSACASA-N 1 1 309.366 1.861 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)n1 ZINC000880047596 706863227 /nfs/dbraw/zinc/86/32/27/706863227.db2.gz VFVRUGYUDHFUTL-SECBINFHSA-N 1 1 308.260 1.445 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H](C(F)(F)F)CC2)n1 ZINC000880047596 706863229 /nfs/dbraw/zinc/86/32/29/706863229.db2.gz VFVRUGYUDHFUTL-SECBINFHSA-N 1 1 308.260 1.445 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C(C)(C)C ZINC000880614546 707042572 /nfs/dbraw/zinc/04/25/72/707042572.db2.gz WPXILMHJLPXJFQ-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000834518709 707078955 /nfs/dbraw/zinc/07/89/55/707078955.db2.gz SKNBSXIOGIZVAL-UHFFFAOYSA-N 1 1 319.296 1.419 20 5 DDBDMO CC[NH+](CC)Cc1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000881399374 707235703 /nfs/dbraw/zinc/23/57/03/707235703.db2.gz XNCCVRIBAOCALP-OAHLLOKOSA-N 1 1 319.365 1.762 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000882489928 707660749 /nfs/dbraw/zinc/66/07/49/707660749.db2.gz HKEQPIFGYNFZRC-SNVBAGLBSA-N 1 1 307.306 1.148 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000873384796 707832243 /nfs/dbraw/zinc/83/22/43/707832243.db2.gz QMBXOKUHDJXVGI-PHIMTYICSA-N 1 1 310.354 1.516 20 5 DDBDMO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221295 708259421 /nfs/dbraw/zinc/25/94/21/708259421.db2.gz KYGCWZGFLOFPIZ-KBPBESRZSA-N 1 1 321.377 1.639 20 5 DDBDMO COC(=O)c1ccnc(NCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897247832 708268177 /nfs/dbraw/zinc/26/81/77/708268177.db2.gz GKZGSXLPJYCGTB-UHFFFAOYSA-N 1 1 322.365 1.920 20 5 DDBDMO COc1c(O)ccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000897620866 708397134 /nfs/dbraw/zinc/39/71/34/708397134.db2.gz ZHGHELQFKVWJEM-BLLLJJGKSA-N 1 1 321.377 1.693 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000885953832 708670360 /nfs/dbraw/zinc/67/03/60/708670360.db2.gz GXGJSLYWTGMXSY-HNNXBMFYSA-N 1 1 320.393 1.677 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564354 708777630 /nfs/dbraw/zinc/77/76/30/708777630.db2.gz UKHQTVIZYDXZNO-TXEJJXNPSA-N 1 1 307.375 1.489 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@@H+](C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739940 713079656 /nfs/dbraw/zinc/07/96/56/713079656.db2.gz KSLCERPVUGYWPH-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@H+](C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739940 713079658 /nfs/dbraw/zinc/07/96/58/713079658.db2.gz KSLCERPVUGYWPH-HMVFGEFZSA-N 1 1 319.361 1.133 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000900403528 709579415 /nfs/dbraw/zinc/57/94/15/709579415.db2.gz RFHAVMKGCNMNPB-OAHLLOKOSA-N 1 1 307.350 1.058 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000900770626 709750107 /nfs/dbraw/zinc/75/01/07/709750107.db2.gz FFDVAFCRTAEAKF-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000928438659 713195961 /nfs/dbraw/zinc/19/59/61/713195961.db2.gz GVYAKOOSOLDLNT-MFKMUULPSA-N 1 1 314.345 1.965 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000928431808 713192793 /nfs/dbraw/zinc/19/27/93/713192793.db2.gz HAPXCSUVRZWZBK-LDYMZIIASA-N 1 1 311.313 1.565 20 5 DDBDMO Cn1c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913293495 713193585 /nfs/dbraw/zinc/19/35/85/713193585.db2.gz PEGOJRBIOAGYNB-GASCZTMLSA-N 1 1 306.366 1.347 20 5 DDBDMO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000895537971 711537078 /nfs/dbraw/zinc/53/70/78/711537078.db2.gz XCQGAMHEUZYUSO-LLVKDONJSA-N 1 1 323.349 1.362 20 5 DDBDMO COc1c(O)ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000895537971 711537080 /nfs/dbraw/zinc/53/70/80/711537080.db2.gz XCQGAMHEUZYUSO-LLVKDONJSA-N 1 1 323.349 1.362 20 5 DDBDMO Cc1nn(C)c(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895571573 711546217 /nfs/dbraw/zinc/54/62/17/711546217.db2.gz JALQWJJEPPBSMG-QWRGUYRKSA-N 1 1 311.411 1.628 20 5 DDBDMO Cc1nn(C)c(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895571573 711546219 /nfs/dbraw/zinc/54/62/19/711546219.db2.gz JALQWJJEPPBSMG-QWRGUYRKSA-N 1 1 311.411 1.628 20 5 DDBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1C ZINC000895735152 711590237 /nfs/dbraw/zinc/59/02/37/711590237.db2.gz VFKUYKZQOAFIRI-YGRLFVJLSA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896558123 711751364 /nfs/dbraw/zinc/75/13/64/711751364.db2.gz YDZHAUNCFOVBHJ-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896572424 711755701 /nfs/dbraw/zinc/75/57/01/711755701.db2.gz VBLUSBVZIRDZTC-GXSJLCMTSA-N 1 1 312.395 1.020 20 5 DDBDMO [NH3+]CC[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000904404928 711853545 /nfs/dbraw/zinc/85/35/45/711853545.db2.gz BJJSQXSJNKMFRV-LLVKDONJSA-N 1 1 307.350 1.537 20 5 DDBDMO CN1CCN(CCC[NH2+]CC[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000905033717 711914353 /nfs/dbraw/zinc/91/43/53/711914353.db2.gz HFRFKCXLWIYIIY-INIZCTEOSA-N 1 1 306.410 1.232 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C)c1[N+](=O)[O-] ZINC000905717937 712130581 /nfs/dbraw/zinc/13/05/81/712130581.db2.gz LSALOJJVNNYJDG-ZDUSSCGKSA-N 1 1 318.381 1.979 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](c3ccn(C)n3)C2)c(C)c1[N+](=O)[O-] ZINC000905717937 712130582 /nfs/dbraw/zinc/13/05/82/712130582.db2.gz LSALOJJVNNYJDG-ZDUSSCGKSA-N 1 1 318.381 1.979 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929245957 713575409 /nfs/dbraw/zinc/57/54/09/713575409.db2.gz BVCHSBRIYLUHKN-CQSZACIVSA-N 1 1 321.377 1.522 20 5 DDBDMO Cc1nnc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000929247633 713575801 /nfs/dbraw/zinc/57/58/01/713575801.db2.gz VAVIUAXTHOUXIJ-UHFFFAOYSA-N 1 1 317.349 1.651 20 5 DDBDMO O=[N+]([O-])CC[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000930816391 713927093 /nfs/dbraw/zinc/92/70/93/713927093.db2.gz KVVIMHIKIGXUST-NSHDSACASA-N 1 1 308.256 1.875 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000931233598 714044581 /nfs/dbraw/zinc/04/45/81/714044581.db2.gz MKAJNHMGHJEIDF-UHFFFAOYSA-N 1 1 320.324 1.988 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704878 714165555 /nfs/dbraw/zinc/16/55/55/714165555.db2.gz RZYPANHCMONAFE-WBVHZDCISA-N 1 1 319.405 1.629 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000932069677 714251598 /nfs/dbraw/zinc/25/15/98/714251598.db2.gz FLGPCAXAEUGFFU-CFVMTHIKSA-N 1 1 303.362 1.909 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000933225082 714541214 /nfs/dbraw/zinc/54/12/14/714541214.db2.gz LWYYLPWRMBHKTJ-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000933225082 714541215 /nfs/dbraw/zinc/54/12/15/714541215.db2.gz LWYYLPWRMBHKTJ-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933229102 714542704 /nfs/dbraw/zinc/54/27/04/714542704.db2.gz GNXQRYJQEYQTHY-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933229102 714542706 /nfs/dbraw/zinc/54/27/06/714542706.db2.gz GNXQRYJQEYQTHY-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121652 714747710 /nfs/dbraw/zinc/74/77/10/714747710.db2.gz NZZFCBHPBKAFSJ-UONOGXRCSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121652 714747711 /nfs/dbraw/zinc/74/77/11/714747711.db2.gz NZZFCBHPBKAFSJ-UONOGXRCSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122784 714748843 /nfs/dbraw/zinc/74/88/43/714748843.db2.gz WOIFGXQCGSYYQT-UONOGXRCSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122784 714748846 /nfs/dbraw/zinc/74/88/46/714748846.db2.gz WOIFGXQCGSYYQT-UONOGXRCSA-N 1 1 307.350 1.951 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934275913 714784124 /nfs/dbraw/zinc/78/41/24/714784124.db2.gz RXEXAESRAXJRFJ-KGLIPLIRSA-N 1 1 306.366 1.021 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000611712218 719389447 /nfs/dbraw/zinc/38/94/47/719389447.db2.gz XZWBNTJGLXWLND-ZIAGYGMSSA-N 1 1 315.333 1.057 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001121008535 782292947 /nfs/dbraw/zinc/29/29/47/782292947.db2.gz FMVLKIVBSXDQOJ-ZMLRMANQSA-N 1 1 320.349 1.529 20 5 DDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000197045246 751357310 /nfs/dbraw/zinc/35/73/10/751357310.db2.gz ZFTLUCAFHTWABO-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105442029 741696676 /nfs/dbraw/zinc/69/66/76/741696676.db2.gz WUPMNPGUKMLJIY-UHFFFAOYSA-N 1 1 323.397 1.226 20 5 DDBDMO CC1(C)CCC(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001031663089 747338249 /nfs/dbraw/zinc/33/82/49/747338249.db2.gz SBAJIPUPPQCWEM-HUUCEWRRSA-N 1 1 323.437 1.916 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cnco1 ZINC001031880930 748108485 /nfs/dbraw/zinc/10/84/85/748108485.db2.gz YOIOPOGHZAFMRF-UHFFFAOYSA-N 1 1 316.317 1.445 20 5 DDBDMO Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429729 749589356 /nfs/dbraw/zinc/58/93/56/749589356.db2.gz UZTMVLLEPZBCFA-HUUCEWRRSA-N 1 1 318.377 1.136 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107321596 749799390 /nfs/dbraw/zinc/79/93/90/749799390.db2.gz HERIVARRWGQZNC-SNAWJCMRSA-N 1 1 321.381 1.416 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645983 750627681 /nfs/dbraw/zinc/62/76/81/750627681.db2.gz YTCOHNUJPWRPKH-FPQZTECRSA-N 1 1 324.406 1.325 20 5 DDBDMO CCOC(=O)[C@H](CCSC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978822 762148460 /nfs/dbraw/zinc/14/84/60/762148460.db2.gz UMZLJSCRDHAOSL-WOPDTQHZSA-N 1 1 304.412 1.706 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022241 762201177 /nfs/dbraw/zinc/20/11/77/762201177.db2.gz RDIJWWVYPTYAHZ-RDBSUJKOSA-N 1 1 308.382 1.407 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169022241 762201183 /nfs/dbraw/zinc/20/11/83/762201183.db2.gz RDIJWWVYPTYAHZ-RDBSUJKOSA-N 1 1 308.382 1.407 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024539 762202560 /nfs/dbraw/zinc/20/25/60/762202560.db2.gz WWLWBWAIEZAOJF-AGIUHOORSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1[C@H](COC)C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169024539 762202564 /nfs/dbraw/zinc/20/25/64/762202564.db2.gz WWLWBWAIEZAOJF-AGIUHOORSA-N 1 1 323.397 1.289 20 5 DDBDMO O=C(NC1(C2CC[NH+](CC3CC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000153258 761545336 /nfs/dbraw/zinc/54/53/36/761545336.db2.gz JIIMAAVNFPHQFO-ZIAGYGMSSA-N 1 1 307.394 1.422 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001050517607 763694209 /nfs/dbraw/zinc/69/42/09/763694209.db2.gz WLDDMBVQPFXGLJ-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170329049 766254070 /nfs/dbraw/zinc/25/40/70/766254070.db2.gz NPTGKPDHZGDQSQ-DGCLKSJQSA-N 1 1 321.377 1.732 20 5 DDBDMO CC(C)(C)OC(=O)c1ccc(N[C@@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900951 771899490 /nfs/dbraw/zinc/89/94/90/771899490.db2.gz RSWMNKZDWKJPJZ-CYBMUJFWSA-N 1 1 324.381 1.986 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136225124 771917794 /nfs/dbraw/zinc/91/77/94/771917794.db2.gz TTZJPQDVKCJUFA-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094456733 775896362 /nfs/dbraw/zinc/89/63/62/775896362.db2.gz PREDZSGGTPZOSO-UHFFFAOYSA-N 1 1 309.370 1.248 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](O)[C@H](CO)C1)CC2 ZINC001172905990 776917219 /nfs/dbraw/zinc/91/72/19/776917219.db2.gz VYWFWNLHZXMGFN-LZWOXQAQSA-N 1 1 306.362 1.127 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC001173231937 777063280 /nfs/dbraw/zinc/06/32/80/777063280.db2.gz PAVWENMSIMTQIQ-SWLSCSKDSA-N 1 1 322.361 1.790 20 5 DDBDMO Cc1nc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001120059080 781741629 /nfs/dbraw/zinc/74/16/29/781741629.db2.gz CZZSBHCZNFTIBZ-CMPLNLGQSA-N 1 1 309.395 1.685 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030322 862037319 /nfs/dbraw/zinc/03/73/19/862037319.db2.gz LHNSTEVKAGJJNX-ZYHUDNBSSA-N 1 1 320.349 1.252 20 5 DDBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001155892647 862535979 /nfs/dbraw/zinc/53/59/79/862535979.db2.gz KSKAISRNXXEDDA-RNCFNFMXSA-N 1 1 321.333 1.204 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(CO)C2)c1 ZINC001328606032 863104258 /nfs/dbraw/zinc/10/42/58/863104258.db2.gz XYAGOVGKEVHDTN-MRXNPFEDSA-N 1 1 322.361 1.976 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(CO)C2)c1 ZINC001328606032 863104264 /nfs/dbraw/zinc/10/42/64/863104264.db2.gz XYAGOVGKEVHDTN-MRXNPFEDSA-N 1 1 322.361 1.976 20 5 DDBDMO CN1C[C@@H](Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CCC1=O ZINC001156566202 863153862 /nfs/dbraw/zinc/15/38/62/863153862.db2.gz CDZYXMQCYXICKT-SYTKJHMZSA-N 1 1 319.365 1.555 20 5 DDBDMO COc1cc(C)nc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157266355 863695256 /nfs/dbraw/zinc/69/52/56/863695256.db2.gz RBEHOKKRAQEZAW-NWDGAFQWSA-N 1 1 306.366 1.837 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3CC[C@@H]3C2)nn1 ZINC001158430067 864649755 /nfs/dbraw/zinc/64/97/55/864649755.db2.gz AUENFEDYXJOSCL-GFCCVEGCSA-N 1 1 311.345 1.946 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001331522128 865133927 /nfs/dbraw/zinc/13/39/27/865133927.db2.gz CNBRTFJWDBMRHY-BXUZGUMPSA-N 1 1 317.349 1.656 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001331522128 865133931 /nfs/dbraw/zinc/13/39/31/865133931.db2.gz CNBRTFJWDBMRHY-BXUZGUMPSA-N 1 1 317.349 1.656 20 5 DDBDMO CCOC(=O)C1=C(Nc2ncc(OC)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453501 865310835 /nfs/dbraw/zinc/31/08/35/865310835.db2.gz VMLTZDYKEGJQQK-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO COc1ncnc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC001160468500 865864315 /nfs/dbraw/zinc/86/43/15/865864315.db2.gz BDMMROKXOCAWIS-RTCCRHLQSA-N 1 1 307.354 1.821 20 5 DDBDMO [NH3+]C[C@]1(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CN2CCC1CC2 ZINC001160514841 865900425 /nfs/dbraw/zinc/90/04/25/865900425.db2.gz YSWMEIBQVGGACO-HNNXBMFYSA-N 1 1 316.365 1.306 20 5 DDBDMO COc1cnc(-n2cc(CC[NH3+])c3cnccc32)c([N+](=O)[O-])c1 ZINC001160946216 866203831 /nfs/dbraw/zinc/20/38/31/866203831.db2.gz WBLQFCPJYACYNR-UHFFFAOYSA-N 1 1 313.317 1.839 20 5 DDBDMO COc1nc(C)c(NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161708670 866919960 /nfs/dbraw/zinc/91/99/60/866919960.db2.gz PYRBUWIZCORCNW-UHFFFAOYSA-N 1 1 323.397 1.356 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2cc3nsnc3c([N+](=O)[O-])c2)o1 ZINC001324178269 867124692 /nfs/dbraw/zinc/12/46/92/867124692.db2.gz KGEJSUUNTRLABD-UHFFFAOYSA-N 1 1 306.307 1.711 20 5 DDBDMO Cc1nn(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001334748329 867810312 /nfs/dbraw/zinc/81/03/12/867810312.db2.gz OSEVXSJYWMIWHO-IHRRRGAJSA-N 1 1 307.398 1.719 20 5 DDBDMO CC(C)Oc1cc(C(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001325260947 867897568 /nfs/dbraw/zinc/89/75/68/867897568.db2.gz KHABZZJLPCAMAX-UHFFFAOYSA-N 1 1 319.361 1.984 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164211736 869018319 /nfs/dbraw/zinc/01/83/19/869018319.db2.gz RDRHRAFHFMXNDJ-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO [NH3+][C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CCC1(F)F ZINC001164320135 869124326 /nfs/dbraw/zinc/12/43/26/869124326.db2.gz YPZVJKZXLBUIBN-NSHDSACASA-N 1 1 309.276 1.711 20 5 DDBDMO COCCC[NH+]1CCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001165097635 869373812 /nfs/dbraw/zinc/37/38/12/869373812.db2.gz MTHOEUFGAKYEIB-UHFFFAOYSA-N 1 1 324.381 1.465 20 5 DDBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165198351 869422755 /nfs/dbraw/zinc/42/27/55/869422755.db2.gz JMNFRUIWKJPLIC-DXTPNHAXSA-N 1 1 303.366 1.416 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001337585069 869552418 /nfs/dbraw/zinc/55/24/18/869552418.db2.gz FNXJGYKLQHQDIQ-GFCCVEGCSA-N 1 1 304.350 1.480 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001337585069 869552426 /nfs/dbraw/zinc/55/24/26/869552426.db2.gz FNXJGYKLQHQDIQ-GFCCVEGCSA-N 1 1 304.350 1.480 20 5 DDBDMO COc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001338295400 869909987 /nfs/dbraw/zinc/90/99/87/869909987.db2.gz RQQJKVGVHCVURI-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC001306055478 871318929 /nfs/dbraw/zinc/31/89/29/871318929.db2.gz FWCCERMIFNZKCF-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@H+]1CCCC1(C)C ZINC001310521439 871639053 /nfs/dbraw/zinc/63/90/53/871639053.db2.gz KDGMQKHTXSGJGB-UHFFFAOYSA-N 1 1 321.381 1.716 20 5 DDBDMO C[N@@H+](CCCNC(=O)CC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC001316821123 872114405 /nfs/dbraw/zinc/11/44/05/872114405.db2.gz LIDRLQBIBRFDEO-UHFFFAOYSA-N 1 1 323.393 1.694 20 5 DDBDMO C[NH+]1CCN(CCCO[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001206581155 872448986 /nfs/dbraw/zinc/44/89/86/872448986.db2.gz BGVPYZZLPJOQLZ-KRWDZBQOSA-N 1 1 319.405 1.716 20 5 DDBDMO Cc1nc(NCC(C)(C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001319130964 872454982 /nfs/dbraw/zinc/45/49/82/872454982.db2.gz UQYQUORJVAYEHK-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001227125098 882854898 /nfs/dbraw/zinc/85/48/98/882854898.db2.gz YNXKDEIAFKFCCM-JTQLQIEISA-N 1 1 317.301 1.972 20 5 DDBDMO COC(=O)c1cc(CO[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001223689055 881058339 /nfs/dbraw/zinc/05/83/39/881058339.db2.gz SYAGNIRAJSMFGO-CQSZACIVSA-N 1 1 308.334 1.992 20 5 DDBDMO CC(=O)Nc1ccc(C(C)=O)c(O[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001234680141 888179296 /nfs/dbraw/zinc/17/92/96/888179296.db2.gz BDXHAEVJFFJMIF-NSHDSACASA-N 1 1 321.333 1.839 20 5 DDBDMO CC(=O)Nc1ccc(C(C)=O)c(O[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001234680141 888179302 /nfs/dbraw/zinc/17/93/02/888179302.db2.gz BDXHAEVJFFJMIF-NSHDSACASA-N 1 1 321.333 1.839 20 5 DDBDMO CSCC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247634045 893269098 /nfs/dbraw/zinc/26/90/98/893269098.db2.gz HRHSELWMJASMKX-ZETCQYMHSA-N 1 1 313.314 1.932 20 5 DDBDMO C[N@@H+](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCSC1 ZINC001253838970 896133944 /nfs/dbraw/zinc/13/39/44/896133944.db2.gz RIVOTMJYKWWPTQ-AWEZNQCLSA-N 1 1 321.402 1.874 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CCOCC1 ZINC001254550954 896499174 /nfs/dbraw/zinc/49/91/74/896499174.db2.gz TZJBBPFQGGQJEH-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001254551802 896499701 /nfs/dbraw/zinc/49/97/01/896499701.db2.gz FWGSCZNGZWYPEW-TZMCWYRMSA-N 1 1 310.394 1.980 20 5 DDBDMO Cc1nc(CC[N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)no1 ZINC001254595035 896520443 /nfs/dbraw/zinc/52/04/43/896520443.db2.gz VDDPKVIDURHZNT-AWEZNQCLSA-N 1 1 302.334 1.928 20 5 DDBDMO C[NH+](C)CCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600822 896523913 /nfs/dbraw/zinc/52/39/13/896523913.db2.gz VKGFQKRLYPDEFL-KRWDZBQOSA-N 1 1 318.421 1.241 20 5 DDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC001265113197 901578554 /nfs/dbraw/zinc/57/85/54/901578554.db2.gz DEDFNOCDYFNMGL-HZPDHXFCSA-N 1 1 319.405 1.988 20 5 DDBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC001265113197 901578564 /nfs/dbraw/zinc/57/85/64/901578564.db2.gz DEDFNOCDYFNMGL-HZPDHXFCSA-N 1 1 319.405 1.988 20 5 DDBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC001265113197 901578574 /nfs/dbraw/zinc/57/85/74/901578574.db2.gz DEDFNOCDYFNMGL-HZPDHXFCSA-N 1 1 319.405 1.988 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CO ZINC000248865538 282112785 /nfs/dbraw/zinc/11/27/85/282112785.db2.gz AVQZUULGYJRHQY-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000358083762 299071752 /nfs/dbraw/zinc/07/17/52/299071752.db2.gz YTCLKFZZEGIYQS-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272863353 210255798 /nfs/dbraw/zinc/25/57/98/210255798.db2.gz JIMZWWGCRGLIJB-NSHDSACASA-N 1 1 322.365 1.178 20 5 DDBDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513719 214203674 /nfs/dbraw/zinc/20/36/74/214203674.db2.gz FJLDQMLXMSZKAJ-JSGCOSHPSA-N 1 1 312.366 1.439 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000090559615 185303362 /nfs/dbraw/zinc/30/33/62/185303362.db2.gz SIFFLIXZZWTNGG-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(F)cc2C1 ZINC000090559615 185303363 /nfs/dbraw/zinc/30/33/63/185303363.db2.gz SIFFLIXZZWTNGG-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286746684 219142798 /nfs/dbraw/zinc/14/27/98/219142798.db2.gz FKHDCRIYPOHZAQ-LLVKDONJSA-N 1 1 322.365 1.981 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000299354231 530063044 /nfs/dbraw/zinc/06/30/44/530063044.db2.gz AOZNWOHJBHBWPG-JTQLQIEISA-N 1 1 311.313 1.323 20 5 DDBDMO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000266849087 186358763 /nfs/dbraw/zinc/35/87/63/186358763.db2.gz QBOPVBYYCFYYRJ-CHWSQXEVSA-N 1 1 308.382 1.580 20 5 DDBDMO C[NH+]1CCN(CCCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041362694 352304842 /nfs/dbraw/zinc/30/48/42/352304842.db2.gz CIBSNIOZVZVSBT-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173101617 198184738 /nfs/dbraw/zinc/18/47/38/198184738.db2.gz GUMGIIAIKXVUAB-CYBMUJFWSA-N 1 1 305.378 1.985 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000063490241 352914351 /nfs/dbraw/zinc/91/43/51/352914351.db2.gz BPSWVYALJZRHMD-CQSZACIVSA-N 1 1 305.378 1.984 20 5 DDBDMO CC[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061469164 352887611 /nfs/dbraw/zinc/88/76/11/352887611.db2.gz MPAKDXVURAUBOB-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)no1 ZINC000355699093 290974378 /nfs/dbraw/zinc/97/43/78/290974378.db2.gz WPHLCYHAGFPEJL-UHFFFAOYSA-N 1 1 316.317 1.847 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000068935886 353137822 /nfs/dbraw/zinc/13/78/22/353137822.db2.gz BPSWVYALJZRHMD-AWEZNQCLSA-N 1 1 305.378 1.984 20 5 DDBDMO C[C@@H]1COCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928305 234287816 /nfs/dbraw/zinc/28/78/16/234287816.db2.gz DCCVQIMWZFLELA-QWHCGFSZSA-N 1 1 310.350 1.303 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000174294523 198316473 /nfs/dbraw/zinc/31/64/73/198316473.db2.gz REURMGBCFKZUCO-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000174294523 198316475 /nfs/dbraw/zinc/31/64/75/198316475.db2.gz REURMGBCFKZUCO-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000077995713 353501229 /nfs/dbraw/zinc/50/12/29/353501229.db2.gz XATXZHJUWCBTSZ-LLVKDONJSA-N 1 1 324.337 1.883 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000088606093 353757305 /nfs/dbraw/zinc/75/73/05/353757305.db2.gz BMIKLALAVOVTCW-OAHLLOKOSA-N 1 1 302.334 1.211 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000088606093 353757310 /nfs/dbraw/zinc/75/73/10/353757310.db2.gz BMIKLALAVOVTCW-OAHLLOKOSA-N 1 1 302.334 1.211 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000126019128 354049797 /nfs/dbraw/zinc/04/97/97/354049797.db2.gz SXJJQEUNENPDCR-UHFFFAOYSA-N 1 1 318.377 1.622 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000139421255 354127951 /nfs/dbraw/zinc/12/79/51/354127951.db2.gz HNJWQCGMBKLLCG-LBPRGKRZSA-N 1 1 321.381 1.400 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000153631455 354199485 /nfs/dbraw/zinc/19/94/85/354199485.db2.gz RWDOWLRFFWZHFZ-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000153631455 354199490 /nfs/dbraw/zinc/19/94/90/354199490.db2.gz RWDOWLRFFWZHFZ-HZSPNIEDSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000156601420 354220487 /nfs/dbraw/zinc/22/04/87/354220487.db2.gz OTYBGEWCEKZXEG-ZDUSSCGKSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000156601420 354220491 /nfs/dbraw/zinc/22/04/91/354220491.db2.gz OTYBGEWCEKZXEG-ZDUSSCGKSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H]1CSCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246932419 354362728 /nfs/dbraw/zinc/36/27/28/354362728.db2.gz DRLUAKVRTAVZJX-DGCLKSJQSA-N 1 1 312.391 1.772 20 5 DDBDMO Nc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC000587309778 354881781 /nfs/dbraw/zinc/88/17/81/354881781.db2.gz QUGNMBCJONQTNA-DGCLKSJQSA-N 1 1 306.366 1.708 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000588966443 354952968 /nfs/dbraw/zinc/95/29/68/354952968.db2.gz ZIMUGFGVIKAJEX-WFASDCNBSA-N 1 1 310.350 1.039 20 5 DDBDMO O=[N+]([O-])c1cc(N2CC[NH+](CCO)CC2)ccc1C(F)(F)F ZINC000589102648 354959563 /nfs/dbraw/zinc/95/95/63/354959563.db2.gz CHJRFXBODIBKOQ-UHFFFAOYSA-N 1 1 319.283 1.728 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000589494676 354996276 /nfs/dbraw/zinc/99/62/76/354996276.db2.gz XRYAFVJQUSHKMJ-LLVKDONJSA-N 1 1 308.334 1.586 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000589494676 354996278 /nfs/dbraw/zinc/99/62/78/354996278.db2.gz XRYAFVJQUSHKMJ-LLVKDONJSA-N 1 1 308.334 1.586 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515034 354998536 /nfs/dbraw/zinc/99/85/36/354998536.db2.gz OJGBUPHCMWPEEY-HNNXBMFYSA-N 1 1 308.334 1.728 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590447652 355099807 /nfs/dbraw/zinc/09/98/07/355099807.db2.gz ZRENJKZSRAHWEG-GWCFXTLKSA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591083760 355245551 /nfs/dbraw/zinc/24/55/51/355245551.db2.gz DPLHDZOLGYCNDL-HNKHHVNMSA-N 1 1 315.373 1.861 20 5 DDBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(N)cc1[N+](=O)[O-] ZINC000286281623 291067701 /nfs/dbraw/zinc/06/77/01/291067701.db2.gz IBWNSJVEFAXPOF-WCQYABFASA-N 1 1 306.366 1.476 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593175625 355817215 /nfs/dbraw/zinc/81/72/15/355817215.db2.gz WRBJKOAKQIAFHU-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187721 355819834 /nfs/dbraw/zinc/81/98/34/355819834.db2.gz OIVRHKYZESLSSV-YNEHKIRRSA-N 1 1 321.377 1.913 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000593186971 355820035 /nfs/dbraw/zinc/82/00/35/355820035.db2.gz BMIJCOFGDXPBLU-YNEHKIRRSA-N 1 1 321.377 1.913 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000593188910 355820801 /nfs/dbraw/zinc/82/08/01/355820801.db2.gz FGIUHUPMZOOEGL-MXWKQRLJSA-N 1 1 309.370 1.364 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000593188910 355820803 /nfs/dbraw/zinc/82/08/03/355820803.db2.gz FGIUHUPMZOOEGL-MXWKQRLJSA-N 1 1 309.370 1.364 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000593503348 355905753 /nfs/dbraw/zinc/90/57/53/355905753.db2.gz IJLVTUFJJALWPH-CQSZACIVSA-N 1 1 315.377 1.691 20 5 DDBDMO COCCOCC[NH+]1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000593518530 355911734 /nfs/dbraw/zinc/91/17/34/355911734.db2.gz RAHCWLUJVZYYGZ-UHFFFAOYSA-N 1 1 323.393 1.688 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063589 356103902 /nfs/dbraw/zinc/10/39/02/356103902.db2.gz IWUUKZBUTQZDGQ-LLVKDONJSA-N 1 1 307.350 1.769 20 5 DDBDMO CCC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000346663073 283142018 /nfs/dbraw/zinc/14/20/18/283142018.db2.gz WHJPUWXPYCZPJB-CYBMUJFWSA-N 1 1 308.382 1.927 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000595043000 356376085 /nfs/dbraw/zinc/37/60/85/356376085.db2.gz DKPLGODMRPSMAR-SKDRFNHKSA-N 1 1 321.333 1.401 20 5 DDBDMO Cc1noc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595470671 356506687 /nfs/dbraw/zinc/50/66/87/356506687.db2.gz OOLHOPPVYITOGS-JTQLQIEISA-N 1 1 312.370 1.168 20 5 DDBDMO Cc1noc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1[N+](=O)[O-] ZINC000595505943 356522890 /nfs/dbraw/zinc/52/28/90/356522890.db2.gz XXGIVYIQBBLKLS-ZDUSSCGKSA-N 1 1 322.365 1.628 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595493929 356516716 /nfs/dbraw/zinc/51/67/16/356516716.db2.gz XEORYTOFGUISES-JQWIXIFHSA-N 1 1 310.354 1.186 20 5 DDBDMO Cc1noc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595493929 356516717 /nfs/dbraw/zinc/51/67/17/356516717.db2.gz XEORYTOFGUISES-JQWIXIFHSA-N 1 1 310.354 1.186 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595745621 356633672 /nfs/dbraw/zinc/63/36/72/356633672.db2.gz YSSWJUZDQKGQDK-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595727834 356624594 /nfs/dbraw/zinc/62/45/94/356624594.db2.gz DLFQCCWPAUKJJN-GWCFXTLKSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595727834 356624597 /nfs/dbraw/zinc/62/45/97/356624597.db2.gz DLFQCCWPAUKJJN-GWCFXTLKSA-N 1 1 307.325 1.834 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595766961 356644299 /nfs/dbraw/zinc/64/42/99/356644299.db2.gz SRMXFKSCLOKGED-SMDDNHRTSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595765843 356644313 /nfs/dbraw/zinc/64/43/13/356644313.db2.gz KGJMEMQSUYSDII-GXFFZTMASA-N 1 1 318.333 1.990 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595826787 356665896 /nfs/dbraw/zinc/66/58/96/356665896.db2.gz IOEKLKUNKQGBAJ-TZMCWYRMSA-N 1 1 320.345 1.850 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596081870 356765645 /nfs/dbraw/zinc/76/56/45/356765645.db2.gz AXYKFFQPWVOZEN-NWDGAFQWSA-N 1 1 304.350 1.732 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)nc1 ZINC000596268341 356839009 /nfs/dbraw/zinc/83/90/09/356839009.db2.gz JSQPODOBOZFYGM-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO Cc1[nH+]cc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1C ZINC000597117702 357065937 /nfs/dbraw/zinc/06/59/37/357065937.db2.gz QJNXJEXMDJMEAB-UHFFFAOYSA-N 1 1 300.322 1.803 20 5 DDBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@@H+](C)C1 ZINC000597945059 357393961 /nfs/dbraw/zinc/39/39/61/357393961.db2.gz HHVSOADOLBTNJP-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038276 357436940 /nfs/dbraw/zinc/43/69/40/357436940.db2.gz BTUCKGFALKGHHX-LLVKDONJSA-N 1 1 308.338 1.252 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651089 357671694 /nfs/dbraw/zinc/67/16/94/357671694.db2.gz QQOSGWPRLOODMD-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651089 357671699 /nfs/dbraw/zinc/67/16/99/357671699.db2.gz QQOSGWPRLOODMD-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@@H](O)C2)ccc2ncccc21 ZINC000599176747 357840568 /nfs/dbraw/zinc/84/05/68/357840568.db2.gz WGSDGHSEHAUOEJ-LLVKDONJSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599623356 357996569 /nfs/dbraw/zinc/99/65/69/357996569.db2.gz OXUUFODZMDMABX-GXSJLCMTSA-N 1 1 304.297 1.272 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600470051 358233160 /nfs/dbraw/zinc/23/31/60/358233160.db2.gz DYRXFMAJAUKHBL-LLVKDONJSA-N 1 1 307.354 1.075 20 5 DDBDMO CN(C)C(=O)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601105794 358404747 /nfs/dbraw/zinc/40/47/47/358404747.db2.gz ISRFAHGCTRLWSF-UHFFFAOYSA-N 1 1 302.334 1.845 20 5 DDBDMO COc1cncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601148936 358422122 /nfs/dbraw/zinc/42/21/22/358422122.db2.gz HRKSBEZMBDESIH-INIZCTEOSA-N 1 1 317.345 1.996 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](CO)[C@@H]3CCOC3)c2c1 ZINC000601159136 358426362 /nfs/dbraw/zinc/42/63/62/358426362.db2.gz HRMJCTSXDCRKGS-VXGBXAGGSA-N 1 1 317.345 1.622 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c([N+](=O)[O-])n1 ZINC000602693558 359129428 /nfs/dbraw/zinc/12/94/28/359129428.db2.gz NSTRNYKTRWDNCQ-ZDUSSCGKSA-N 1 1 321.381 1.305 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c([N+](=O)[O-])n1 ZINC000602693558 359129430 /nfs/dbraw/zinc/12/94/30/359129430.db2.gz NSTRNYKTRWDNCQ-ZDUSSCGKSA-N 1 1 321.381 1.305 20 5 DDBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602723116 359149861 /nfs/dbraw/zinc/14/98/61/359149861.db2.gz QLCOYAFATOOQGC-LLVKDONJSA-N 1 1 309.370 1.065 20 5 DDBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602723116 359149865 /nfs/dbraw/zinc/14/98/65/359149865.db2.gz QLCOYAFATOOQGC-LLVKDONJSA-N 1 1 309.370 1.065 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@](C)(CO)C1 ZINC000602965034 359329298 /nfs/dbraw/zinc/32/92/98/359329298.db2.gz YDDXYAJCFPXIQG-GJZGRUSLSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(CO)CC1 ZINC000186775418 200008191 /nfs/dbraw/zinc/00/81/91/200008191.db2.gz OTSOAQMIAQCCHZ-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186922108 200031450 /nfs/dbraw/zinc/03/14/50/200031450.db2.gz ROXWVCJZHQSACB-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187651899 200140079 /nfs/dbraw/zinc/14/00/79/200140079.db2.gz GXYGCWKPMUPKFI-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000281065388 216056045 /nfs/dbraw/zinc/05/60/45/216056045.db2.gz KKHRHEBXUSDUAU-IMJJTQAJSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000281065388 216056050 /nfs/dbraw/zinc/05/60/50/216056050.db2.gz KKHRHEBXUSDUAU-IMJJTQAJSA-N 1 1 322.361 1.588 20 5 DDBDMO CC(C)N1CC[NH+](CCCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000188203448 200209287 /nfs/dbraw/zinc/20/92/87/200209287.db2.gz JYXYKBHYMPNFSH-UHFFFAOYSA-N 1 1 308.382 1.173 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565782964 304092016 /nfs/dbraw/zinc/09/20/16/304092016.db2.gz JXBOLCRDAPMTQS-CQSZACIVSA-N 1 1 309.366 1.102 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189412198 200396488 /nfs/dbraw/zinc/39/64/88/200396488.db2.gz OQYCCHPAVWFUGG-CYBMUJFWSA-N 1 1 307.394 1.872 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000609309489 360291661 /nfs/dbraw/zinc/29/16/61/360291661.db2.gz GUSFSWNVQSKPKP-LLVKDONJSA-N 1 1 306.366 1.680 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609594380 360331344 /nfs/dbraw/zinc/33/13/44/360331344.db2.gz IWPJLKXTMGJXSH-LBPRGKRZSA-N 1 1 308.382 1.928 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C1CC1 ZINC000610572835 360473212 /nfs/dbraw/zinc/47/32/12/360473212.db2.gz HJLZKUHEMUYYCI-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C1CC1 ZINC000610572835 360473217 /nfs/dbraw/zinc/47/32/17/360473217.db2.gz HJLZKUHEMUYYCI-ZDUSSCGKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572868 360473855 /nfs/dbraw/zinc/47/38/55/360473855.db2.gz PCWYNLYEAVHLFY-UKRRQHHQSA-N 1 1 310.350 1.037 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611165982 360643149 /nfs/dbraw/zinc/64/31/49/360643149.db2.gz RYSAKGAVOBGXAF-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611237516 360674486 /nfs/dbraw/zinc/67/44/86/360674486.db2.gz NACYIRJNBLEFRN-OAHLLOKOSA-N 1 1 322.361 1.873 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616472 360776873 /nfs/dbraw/zinc/77/68/73/360776873.db2.gz RYTCJDAYXGYBGN-CYBMUJFWSA-N 1 1 308.382 1.500 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000272164032 296093825 /nfs/dbraw/zinc/09/38/25/296093825.db2.gz ZSCCFCXYDDADKB-QWHCGFSZSA-N 1 1 321.377 1.740 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264653337 204055160 /nfs/dbraw/zinc/05/51/60/204055160.db2.gz HEXIWQKRJFSOPJ-SNVBAGLBSA-N 1 1 302.334 1.758 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264662028 204060112 /nfs/dbraw/zinc/06/01/12/204060112.db2.gz IUSDWRGZJSJFBV-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264914893 204265425 /nfs/dbraw/zinc/26/54/25/204265425.db2.gz OCXKYETXTHMVET-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO Cc1cccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000265071359 204378451 /nfs/dbraw/zinc/37/84/51/204378451.db2.gz UDIBIBFURBZOEG-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO Cc1ccccc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266436981 205344576 /nfs/dbraw/zinc/34/45/76/205344576.db2.gz LVXSNFQHHQQYSF-HNNXBMFYSA-N 1 1 304.350 1.593 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(N)=O ZINC000284471395 218040905 /nfs/dbraw/zinc/04/09/05/218040905.db2.gz AGPPAKKUFUSUCH-NOZJJQNGSA-N 1 1 321.333 1.015 20 5 DDBDMO Cc1ccc([C@@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847715 207016663 /nfs/dbraw/zinc/01/66/63/207016663.db2.gz BQBWEFGGCYOTGC-UKRRQHHQSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1ccc([C@@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000268847715 207016666 /nfs/dbraw/zinc/01/66/66/207016666.db2.gz BQBWEFGGCYOTGC-UKRRQHHQSA-N 1 1 306.410 1.800 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426391 285042209 /nfs/dbraw/zinc/04/22/09/285042209.db2.gz UCGREUOOKJKWSW-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352468813 285073225 /nfs/dbraw/zinc/07/32/25/285073225.db2.gz VBJDIYPMSQTOLY-GFCCVEGCSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000270316096 208388487 /nfs/dbraw/zinc/38/84/87/208388487.db2.gz HEEYIUOXKKKNMV-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000270316096 208388493 /nfs/dbraw/zinc/38/84/93/208388493.db2.gz HEEYIUOXKKKNMV-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO CCOC(=O)N[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157688656 197207548 /nfs/dbraw/zinc/20/75/48/197207548.db2.gz UWWIKBYGZFZYJZ-LLVKDONJSA-N 1 1 311.342 1.002 20 5 DDBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157688656 197207550 /nfs/dbraw/zinc/20/75/50/197207550.db2.gz UWWIKBYGZFZYJZ-LLVKDONJSA-N 1 1 311.342 1.002 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271439526 208913234 /nfs/dbraw/zinc/91/32/34/208913234.db2.gz TVFXGQSSCABBTO-LLVKDONJSA-N 1 1 309.370 1.036 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289482048 221006612 /nfs/dbraw/zinc/00/66/12/221006612.db2.gz RVDLJZZBSPQZCO-CMPLNLGQSA-N 1 1 317.349 1.947 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000294997048 224367090 /nfs/dbraw/zinc/36/70/90/224367090.db2.gz ICPANZFRHYLRRN-MRXNPFEDSA-N 1 1 322.361 1.915 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000353607518 285826013 /nfs/dbraw/zinc/82/60/13/285826013.db2.gz PPEHELPNSYVQRP-CQSZACIVSA-N 1 1 304.350 1.780 20 5 DDBDMO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423017455 285889496 /nfs/dbraw/zinc/88/94/96/285889496.db2.gz ORDBLJNXCCSDEL-MPKXVKKWSA-N 1 1 307.350 1.539 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000070076800 406808925 /nfs/dbraw/zinc/80/89/25/406808925.db2.gz NAGMLVVUHBZQQK-QWRGUYRKSA-N 1 1 313.379 1.107 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000074440359 406913165 /nfs/dbraw/zinc/91/31/65/406913165.db2.gz LRHCAIQHUTYYOF-UHFFFAOYSA-N 1 1 317.349 1.639 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CC2CC2)CC1 ZINC000055673982 407206016 /nfs/dbraw/zinc/20/60/16/407206016.db2.gz OYRZPIPSAHHUDJ-UHFFFAOYSA-N 1 1 307.325 1.902 20 5 DDBDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123564535 407332890 /nfs/dbraw/zinc/33/28/90/407332890.db2.gz GJSITHFXAWWXOF-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000122563596 407304734 /nfs/dbraw/zinc/30/47/34/407304734.db2.gz UWRYLVYRPKVYLO-LLVKDONJSA-N 1 1 307.354 1.312 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000122563596 407304736 /nfs/dbraw/zinc/30/47/36/407304736.db2.gz UWRYLVYRPKVYLO-LLVKDONJSA-N 1 1 307.354 1.312 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000122563596 407304737 /nfs/dbraw/zinc/30/47/37/407304737.db2.gz UWRYLVYRPKVYLO-LLVKDONJSA-N 1 1 307.354 1.312 20 5 DDBDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000123565218 407333134 /nfs/dbraw/zinc/33/31/34/407333134.db2.gz GJSITHFXAWWXOF-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000104188956 407349331 /nfs/dbraw/zinc/34/93/31/407349331.db2.gz KLEWDCXARQCRPB-SNVBAGLBSA-N 1 1 309.391 1.998 20 5 DDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000124796577 407369882 /nfs/dbraw/zinc/36/98/82/407369882.db2.gz AZTNNETWMPHYKM-UHFFFAOYSA-N 1 1 318.377 1.703 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000108325958 407383671 /nfs/dbraw/zinc/38/36/71/407383671.db2.gz FVPLEYCRZYPLLT-SECBINFHSA-N 1 1 310.329 1.388 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000108325961 407384040 /nfs/dbraw/zinc/38/40/40/407384040.db2.gz FVPLEYCRZYPLLT-VIFPVBQESA-N 1 1 310.329 1.388 20 5 DDBDMO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806944 407465162 /nfs/dbraw/zinc/46/51/62/407465162.db2.gz OZBGLTRGPAWGJB-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265806944 407465168 /nfs/dbraw/zinc/46/51/68/407465168.db2.gz OZBGLTRGPAWGJB-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265816670 407467413 /nfs/dbraw/zinc/46/74/13/407467413.db2.gz QIFYWFMNZHTLNK-UHFFFAOYSA-N 1 1 323.393 1.567 20 5 DDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000113257614 407480384 /nfs/dbraw/zinc/48/03/84/407480384.db2.gz KXEYFDPZQHLKTI-NEPJUHHUSA-N 1 1 314.407 1.891 20 5 DDBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000113257614 407480391 /nfs/dbraw/zinc/48/03/91/407480391.db2.gz KXEYFDPZQHLKTI-NEPJUHHUSA-N 1 1 314.407 1.891 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271055373 407491544 /nfs/dbraw/zinc/49/15/44/407491544.db2.gz ZLWTWEGREADZOL-CQSZACIVSA-N 1 1 302.334 1.562 20 5 DDBDMO COc1ccc(OCC[N@H+](C)[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000266541160 407550503 /nfs/dbraw/zinc/55/05/03/407550503.db2.gz PTWNSMBUSNPSPT-LBPRGKRZSA-N 1 1 323.349 1.145 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000266541160 407550515 /nfs/dbraw/zinc/55/05/15/407550515.db2.gz PTWNSMBUSNPSPT-LBPRGKRZSA-N 1 1 323.349 1.145 20 5 DDBDMO CC[N@@H+](CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171167462 407615076 /nfs/dbraw/zinc/61/50/76/407615076.db2.gz YKJHJCGBTCGFEH-UHFFFAOYSA-N 1 1 320.393 1.921 20 5 DDBDMO CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000267112885 407752650 /nfs/dbraw/zinc/75/26/50/407752650.db2.gz YBVRQDMJUZEVBZ-UHFFFAOYSA-N 1 1 301.350 1.743 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267342975 407841754 /nfs/dbraw/zinc/84/17/54/407841754.db2.gz LTGGPELXAVCKEP-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267342975 407841763 /nfs/dbraw/zinc/84/17/63/407841763.db2.gz LTGGPELXAVCKEP-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000267322280 407834360 /nfs/dbraw/zinc/83/43/60/407834360.db2.gz OVRGZRNBCXCBHA-UHFFFAOYSA-N 1 1 306.366 1.653 20 5 DDBDMO CC1(C)[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000172957137 407854748 /nfs/dbraw/zinc/85/47/48/407854748.db2.gz LZVXWYKLBXHBOK-AEGPPILISA-N 1 1 306.362 1.922 20 5 DDBDMO O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000153648043 407869474 /nfs/dbraw/zinc/86/94/74/407869474.db2.gz XOTSCVSROKCCNE-HNNXBMFYSA-N 1 1 305.334 1.646 20 5 DDBDMO O=C(C[N@H+]1CC[C@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000153648043 407869482 /nfs/dbraw/zinc/86/94/82/407869482.db2.gz XOTSCVSROKCCNE-HNNXBMFYSA-N 1 1 305.334 1.646 20 5 DDBDMO Cc1c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796733 407871720 /nfs/dbraw/zinc/87/17/20/407871720.db2.gz ZJVYPMFOOOKJHT-SWLSCSKDSA-N 1 1 321.377 1.281 20 5 DDBDMO Cc1c(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000133796733 407871727 /nfs/dbraw/zinc/87/17/27/407871727.db2.gz ZJVYPMFOOOKJHT-SWLSCSKDSA-N 1 1 321.377 1.281 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000189721522 408090562 /nfs/dbraw/zinc/09/05/62/408090562.db2.gz IKEGWUIPIRWDDO-GJZGRUSLSA-N 1 1 310.350 1.366 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190171681 408182079 /nfs/dbraw/zinc/18/20/79/408182079.db2.gz OQJVSMPWHHRTAA-JTQLQIEISA-N 1 1 310.354 1.919 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000155872114 408221920 /nfs/dbraw/zinc/22/19/20/408221920.db2.gz OPVQBRCNMSGQIX-GFCCVEGCSA-N 1 1 313.379 1.027 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000155872114 408221925 /nfs/dbraw/zinc/22/19/25/408221925.db2.gz OPVQBRCNMSGQIX-GFCCVEGCSA-N 1 1 313.379 1.027 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000155908817 408225005 /nfs/dbraw/zinc/22/50/05/408225005.db2.gz PZTNOUYAVINSQK-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000246634274 408306976 /nfs/dbraw/zinc/30/69/76/408306976.db2.gz FAUWCGNHJAQGEY-ZJUUUORDSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000246634274 408306979 /nfs/dbraw/zinc/30/69/79/408306979.db2.gz FAUWCGNHJAQGEY-ZJUUUORDSA-N 1 1 313.379 1.183 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133428712 162059156 /nfs/dbraw/zinc/05/91/56/162059156.db2.gz LVINKHSVASJBKT-UHFFFAOYSA-N 1 1 309.370 1.044 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@H](C)O ZINC000246824879 408348757 /nfs/dbraw/zinc/34/87/57/408348757.db2.gz LNEYDDZGKZERDH-JSGCOSHPSA-N 1 1 321.377 1.512 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000171100297 162206393 /nfs/dbraw/zinc/20/63/93/162206393.db2.gz YDSBMTBOJSVGAL-CYBMUJFWSA-N 1 1 323.397 1.399 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000269745459 408412778 /nfs/dbraw/zinc/41/27/78/408412778.db2.gz XREKLIDGSAFKDW-CQSZACIVSA-N 1 1 321.377 1.283 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)Cc1ccccc1 ZINC000269888729 408460266 /nfs/dbraw/zinc/46/02/66/408460266.db2.gz KXGAPFRZJGIUHT-UHFFFAOYSA-N 1 1 317.345 1.251 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000264432109 408486896 /nfs/dbraw/zinc/48/68/96/408486896.db2.gz AUCYFVYQMMMMJI-GFCCVEGCSA-N 1 1 323.349 1.054 20 5 DDBDMO NC(=O)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177012039 408497450 /nfs/dbraw/zinc/49/74/50/408497450.db2.gz NAWZAIUWXDESQA-UHFFFAOYSA-N 1 1 318.333 1.823 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000161297781 408583528 /nfs/dbraw/zinc/58/35/28/408583528.db2.gz DGQAWKPSBNGHOA-PWSUYJOCSA-N 1 1 306.366 1.636 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275333428 408585833 /nfs/dbraw/zinc/58/58/33/408585833.db2.gz GKGNAUPGRWGQCN-QWRGUYRKSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275333428 408585835 /nfs/dbraw/zinc/58/58/35/408585835.db2.gz GKGNAUPGRWGQCN-QWRGUYRKSA-N 1 1 324.337 1.394 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000177159479 408539777 /nfs/dbraw/zinc/53/97/77/408539777.db2.gz QULFGRXFEHRGLQ-WDEREUQCSA-N 1 1 319.361 1.958 20 5 DDBDMO CCN1CC[NH+](CCCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265283833 408604529 /nfs/dbraw/zinc/60/45/29/408604529.db2.gz WSTWOEONDNBANH-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192542317 408608864 /nfs/dbraw/zinc/60/88/64/408608864.db2.gz MIBLFJFPYHFMHP-SECBINFHSA-N 1 1 300.384 1.333 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192542317 408608869 /nfs/dbraw/zinc/60/88/69/408608869.db2.gz MIBLFJFPYHFMHP-SECBINFHSA-N 1 1 300.384 1.333 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275647755 408631797 /nfs/dbraw/zinc/63/17/97/408631797.db2.gz WVRVQEXDOOIDND-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000270825157 408696695 /nfs/dbraw/zinc/69/66/95/408696695.db2.gz BVTCILMYXHEHCC-OAHLLOKOSA-N 1 1 303.362 1.834 20 5 DDBDMO CCOCC[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185365519 408801092 /nfs/dbraw/zinc/80/10/92/408801092.db2.gz PRPZEPNYAVLJGB-UHFFFAOYSA-N 1 1 309.366 1.762 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265725753 408760422 /nfs/dbraw/zinc/76/04/22/408760422.db2.gz OIZWWRDMJIEMKQ-GFCCVEGCSA-N 1 1 321.381 1.717 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281333024 408883242 /nfs/dbraw/zinc/88/32/42/408883242.db2.gz LYUMSEBVXYXCPI-RISCZKNCSA-N 1 1 321.333 1.404 20 5 DDBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276191317 408824727 /nfs/dbraw/zinc/82/47/27/408824727.db2.gz HJYCNHVCOUUJST-UHFFFAOYSA-N 1 1 301.368 1.362 20 5 DDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000280837655 408844392 /nfs/dbraw/zinc/84/43/92/408844392.db2.gz WTBZORUKNOETJW-LLVKDONJSA-N 1 1 323.349 1.725 20 5 DDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000280837655 408844394 /nfs/dbraw/zinc/84/43/94/408844394.db2.gz WTBZORUKNOETJW-LLVKDONJSA-N 1 1 323.349 1.725 20 5 DDBDMO C[C@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000276510783 408872492 /nfs/dbraw/zinc/87/24/92/408872492.db2.gz ZSLIFKNCXXDXHJ-GFCCVEGCSA-N 1 1 309.366 1.382 20 5 DDBDMO C[C@@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000276510784 408872662 /nfs/dbraw/zinc/87/26/62/408872662.db2.gz ZSLIFKNCXXDXHJ-LBPRGKRZSA-N 1 1 309.366 1.382 20 5 DDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000291746262 408916309 /nfs/dbraw/zinc/91/63/09/408916309.db2.gz BSHSTNHKQXQRGY-SNVBAGLBSA-N 1 1 323.349 1.782 20 5 DDBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000193493570 163256555 /nfs/dbraw/zinc/25/65/55/163256555.db2.gz IHSPFLCHVQWORW-UHFFFAOYSA-N 1 1 306.322 1.006 20 5 DDBDMO CN(C(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000193652057 163263292 /nfs/dbraw/zinc/26/32/92/163263292.db2.gz KQHUKHZHDMYFHZ-BETUJISGSA-N 1 1 318.377 1.051 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4nonc43)C2)C1 ZINC000292329185 409025294 /nfs/dbraw/zinc/02/52/94/409025294.db2.gz PHPBHUSLAXTPQP-AWEZNQCLSA-N 1 1 303.322 1.663 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C)n3)[C@H]2C1 ZINC000292732721 409041050 /nfs/dbraw/zinc/04/10/50/409041050.db2.gz IGEMSEVBOSCPPY-UONOGXRCSA-N 1 1 306.366 1.598 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287574173 409057157 /nfs/dbraw/zinc/05/71/57/409057157.db2.gz XNBMFQLNELDJFL-VXGBXAGGSA-N 1 1 300.742 1.566 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CN1 ZINC000278870962 409105469 /nfs/dbraw/zinc/10/54/69/409105469.db2.gz MARCWFFQVKHPFR-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CN1 ZINC000278870962 409105470 /nfs/dbraw/zinc/10/54/70/409105470.db2.gz MARCWFFQVKHPFR-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)Cc1ccccc1 ZINC000293418626 409109899 /nfs/dbraw/zinc/10/98/99/409109899.db2.gz SQDZBQGGJYZYMU-OAHLLOKOSA-N 1 1 304.350 1.327 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000283525016 409171349 /nfs/dbraw/zinc/17/13/49/409171349.db2.gz KOBHIHAYSDKQCX-UHFFFAOYSA-N 1 1 322.365 1.615 20 5 DDBDMO O=C1NCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283524666 409171398 /nfs/dbraw/zinc/17/13/98/409171398.db2.gz LRSKRLJTHBYJOG-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C2CC2)O1 ZINC000279453514 409217512 /nfs/dbraw/zinc/21/75/12/409217512.db2.gz ZQIHUAFFVWWTJW-FZMZJTMJSA-N 1 1 307.350 1.256 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C2CC2)O1 ZINC000279453514 409217515 /nfs/dbraw/zinc/21/75/15/409217515.db2.gz ZQIHUAFFVWWTJW-FZMZJTMJSA-N 1 1 307.350 1.256 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295210654 409377202 /nfs/dbraw/zinc/37/72/02/409377202.db2.gz LMGYJRCGKBGZQI-LFAOLKIESA-N 1 1 307.325 1.768 20 5 DDBDMO CC1(C)C[C@H](O)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295984132 409392244 /nfs/dbraw/zinc/39/22/44/409392244.db2.gz JLBZUDSBJLHPDT-CYBMUJFWSA-N 1 1 309.366 1.239 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[N@@H+](C)C1 ZINC000284474402 409345400 /nfs/dbraw/zinc/34/54/00/409345400.db2.gz AZICYEFLRRVUGC-KBPBESRZSA-N 1 1 321.377 1.694 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000317286346 164026838 /nfs/dbraw/zinc/02/68/38/164026838.db2.gz KMXJZRUAOOBCEG-WDEREUQCSA-N 1 1 306.366 1.849 20 5 DDBDMO C[C@H]1CCOCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280177 164169287 /nfs/dbraw/zinc/16/92/87/164169287.db2.gz JMGOGFHUOUVIAQ-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000295488797 409503703 /nfs/dbraw/zinc/50/37/03/409503703.db2.gz JSBIAFXEPWWUFX-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342437222 409629515 /nfs/dbraw/zinc/62/95/15/409629515.db2.gz OBCHWSIXNNKURJ-PELKAZGASA-N 1 1 302.327 1.257 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356883932 409689370 /nfs/dbraw/zinc/68/93/70/409689370.db2.gz QOZPOKXFFUTXNZ-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356883932 409689381 /nfs/dbraw/zinc/68/93/81/409689381.db2.gz QOZPOKXFFUTXNZ-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(OCC(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000297018178 409759073 /nfs/dbraw/zinc/75/90/73/409759073.db2.gz HZLIQXGGHVNWHI-UHFFFAOYSA-N 1 1 323.349 1.191 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357005086 409784087 /nfs/dbraw/zinc/78/40/87/409784087.db2.gz QVOWUVYVELQHLJ-STQMWFEESA-N 1 1 320.393 1.582 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000354385300 409814361 /nfs/dbraw/zinc/81/43/61/409814361.db2.gz CTOWRJJSCWJBOP-YPMHNXCESA-N 1 1 323.397 1.431 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000342857473 409951191 /nfs/dbraw/zinc/95/11/91/409951191.db2.gz MFSPIUBWGDDFOX-IORUMNFESA-N 1 1 319.405 1.995 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000332238077 410003845 /nfs/dbraw/zinc/00/38/45/410003845.db2.gz HQWZMQHBXGCXIT-OLZOCXBDSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332362968 410099084 /nfs/dbraw/zinc/09/90/84/410099084.db2.gz XAHNMFDKBGPYOB-LBPRGKRZSA-N 1 1 318.377 1.120 20 5 DDBDMO O=C(CC[N@H+]1CCc2nn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000351607128 410102563 /nfs/dbraw/zinc/10/25/63/410102563.db2.gz HVBKUYYYSFPSQZ-UHFFFAOYSA-N 1 1 316.321 1.100 20 5 DDBDMO O=C(CCN1CCc2nn[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000351607128 410102571 /nfs/dbraw/zinc/10/25/71/410102571.db2.gz HVBKUYYYSFPSQZ-UHFFFAOYSA-N 1 1 316.321 1.100 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000347152524 410364870 /nfs/dbraw/zinc/36/48/70/410364870.db2.gz YPUXJGUXIIUGCM-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO Nc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000298746874 410380196 /nfs/dbraw/zinc/38/01/96/410380196.db2.gz UXLCKKDRVNBIOG-LBPRGKRZSA-N 1 1 314.349 1.653 20 5 DDBDMO CC(C)c1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358171264 410393579 /nfs/dbraw/zinc/39/35/79/410393579.db2.gz SALFKUPAKSHJIU-MRXNPFEDSA-N 1 1 307.394 1.874 20 5 DDBDMO CC(C)c1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-] ZINC000358171264 410393586 /nfs/dbraw/zinc/39/35/86/410393586.db2.gz SALFKUPAKSHJIU-MRXNPFEDSA-N 1 1 307.394 1.874 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000298822787 410412493 /nfs/dbraw/zinc/41/24/93/410412493.db2.gz ZYXUDXVBUZTPBP-NSHDSACASA-N 1 1 321.333 1.053 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000298822787 410412499 /nfs/dbraw/zinc/41/24/99/410412499.db2.gz ZYXUDXVBUZTPBP-NSHDSACASA-N 1 1 321.333 1.053 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000299109307 410527940 /nfs/dbraw/zinc/52/79/40/410527940.db2.gz QCYCIIGJPGKQSP-UHFFFAOYSA-N 1 1 302.334 1.785 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000355594268 410598100 /nfs/dbraw/zinc/59/81/00/410598100.db2.gz DNFXYLCOYXZVAL-HNNXBMFYSA-N 1 1 322.365 1.400 20 5 DDBDMO CS[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330460760 410709638 /nfs/dbraw/zinc/70/96/38/410709638.db2.gz VZQMDXVCVOLYNS-ZIAGYGMSSA-N 1 1 311.407 1.778 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353022924 410741653 /nfs/dbraw/zinc/74/16/53/410741653.db2.gz FIRGITBYLDXRNG-JTQLQIEISA-N 1 1 317.292 1.318 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000337476473 410816000 /nfs/dbraw/zinc/81/60/00/410816000.db2.gz SJWHAPYXTZMOCF-VXGBXAGGSA-N 1 1 307.350 1.484 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000330589820 410804328 /nfs/dbraw/zinc/80/43/28/410804328.db2.gz ZSOVKLPGKNYJFH-UHFFFAOYSA-N 1 1 309.370 1.323 20 5 DDBDMO CC(C)(C)Oc1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000301900222 410823292 /nfs/dbraw/zinc/82/32/92/410823292.db2.gz YWLJPADEBOYQFV-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO COC(=O)c1cnc(NCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000302785952 410862681 /nfs/dbraw/zinc/86/26/81/410862681.db2.gz VVFXTUFPCXMFPG-UHFFFAOYSA-N 1 1 305.294 1.165 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)C[C@H]1C ZINC000330677817 410868345 /nfs/dbraw/zinc/86/83/45/410868345.db2.gz VSIMBSWOWKIZSH-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000330607324 410820917 /nfs/dbraw/zinc/82/09/17/410820917.db2.gz LMRNKWVMHAOSGO-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000330607324 410820926 /nfs/dbraw/zinc/82/09/26/410820926.db2.gz LMRNKWVMHAOSGO-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000337607802 410893262 /nfs/dbraw/zinc/89/32/62/410893262.db2.gz WDMOKDFDCMQIPF-UHFFFAOYSA-N 1 1 318.377 1.631 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344055665 410924486 /nfs/dbraw/zinc/92/44/86/410924486.db2.gz KUSVPNXLTQARLO-PKIAMQTDSA-N 1 1 319.361 1.625 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000331090877 410943116 /nfs/dbraw/zinc/94/31/16/410943116.db2.gz HQMPBVHNIDDHKC-SNVBAGLBSA-N 1 1 307.350 1.688 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000331090877 410943120 /nfs/dbraw/zinc/94/31/20/410943120.db2.gz HQMPBVHNIDDHKC-SNVBAGLBSA-N 1 1 307.350 1.688 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522941 410998100 /nfs/dbraw/zinc/99/81/00/410998100.db2.gz AQSBBLMXRRVNSX-NEPJUHHUSA-N 1 1 307.350 1.559 20 5 DDBDMO CC1CC[NH+](CC2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000360108658 411050123 /nfs/dbraw/zinc/05/01/23/411050123.db2.gz XYHZISKHQJGHOX-GJZGRUSLSA-N 1 1 309.410 1.622 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000331296120 411064765 /nfs/dbraw/zinc/06/47/65/411064765.db2.gz NVTRTWFOWVWNLF-UHFFFAOYSA-N 1 1 323.397 1.663 20 5 DDBDMO Cc1cnn(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000341836418 411066806 /nfs/dbraw/zinc/06/68/06/411066806.db2.gz XWCNEQHYLHBPTI-UHFFFAOYSA-N 1 1 315.377 1.922 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CC1(O)CCC1 ZINC000353483469 411021267 /nfs/dbraw/zinc/02/12/67/411021267.db2.gz HLHDRWNBYFANNX-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1(O)CCC1 ZINC000353483469 411021269 /nfs/dbraw/zinc/02/12/69/411021269.db2.gz HLHDRWNBYFANNX-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000353490439 411027079 /nfs/dbraw/zinc/02/70/79/411027079.db2.gz QRGVXIXAIJYTLA-OIKLOGQESA-N 1 1 323.349 1.386 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C1CC(O)C1 ZINC000353490439 411027085 /nfs/dbraw/zinc/02/70/85/411027085.db2.gz QRGVXIXAIJYTLA-OIKLOGQESA-N 1 1 323.349 1.386 20 5 DDBDMO O=C(CCN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360565414 418465779 /nfs/dbraw/zinc/46/57/79/418465779.db2.gz UPUUXUSCHQASPG-INIZCTEOSA-N 1 1 318.377 1.609 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373929402 418474179 /nfs/dbraw/zinc/47/41/79/418474179.db2.gz ORJPRKPDEMNBOV-CHWSQXEVSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373929382 418474328 /nfs/dbraw/zinc/47/43/28/418474328.db2.gz OJIZHBWNPJVSBB-TZMCWYRMSA-N 1 1 319.361 1.717 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374861116 418570457 /nfs/dbraw/zinc/57/04/57/418570457.db2.gz XUJGUOFXZMAJQP-OAHLLOKOSA-N 1 1 320.324 1.561 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374861116 418570459 /nfs/dbraw/zinc/57/04/59/418570459.db2.gz XUJGUOFXZMAJQP-OAHLLOKOSA-N 1 1 320.324 1.561 20 5 DDBDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044805 418572849 /nfs/dbraw/zinc/57/28/49/418572849.db2.gz JPOHSSPNVXSZEB-FZMZJTMJSA-N 1 1 302.334 1.729 20 5 DDBDMO C[C@H]1CN(CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049124 418555469 /nfs/dbraw/zinc/55/54/69/418555469.db2.gz CDRHCSVDMYKJBM-UONOGXRCSA-N 1 1 323.397 1.149 20 5 DDBDMO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000291035612 222088800 /nfs/dbraw/zinc/08/88/00/222088800.db2.gz ZHDAHUICKLLSCK-VIFPVBQESA-N 1 1 305.338 1.151 20 5 DDBDMO CNc1c(C(=O)NCCC[N@@H+](C)CCOC)cccc1[N+](=O)[O-] ZINC000361147847 418594179 /nfs/dbraw/zinc/59/41/79/418594179.db2.gz XGNSKKXFCHXULH-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO CNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000387573797 418743910 /nfs/dbraw/zinc/74/39/10/418743910.db2.gz XOWQLLCTPICGLJ-NSHDSACASA-N 1 1 306.366 1.708 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2 ZINC000364661697 418797770 /nfs/dbraw/zinc/79/77/70/418797770.db2.gz WHQXNJMPHMQWEC-UHFFFAOYSA-N 1 1 320.349 1.396 20 5 DDBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000364934838 418824586 /nfs/dbraw/zinc/82/45/86/418824586.db2.gz OTILEFRGRGKQOD-SNVBAGLBSA-N 1 1 313.379 1.185 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000364934838 418824588 /nfs/dbraw/zinc/82/45/88/418824588.db2.gz OTILEFRGRGKQOD-SNVBAGLBSA-N 1 1 313.379 1.185 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365839911 418915385 /nfs/dbraw/zinc/91/53/85/418915385.db2.gz UBWWCQCCKPVOTO-BZNIZROVSA-N 1 1 319.361 1.769 20 5 DDBDMO CN1C[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373216797 418932715 /nfs/dbraw/zinc/93/27/15/418932715.db2.gz BUQCUFAJBYETOA-CYBMUJFWSA-N 1 1 320.349 1.025 20 5 DDBDMO CN1C[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373216797 418932716 /nfs/dbraw/zinc/93/27/16/418932716.db2.gz BUQCUFAJBYETOA-CYBMUJFWSA-N 1 1 320.349 1.025 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936458 419371092 /nfs/dbraw/zinc/37/10/92/419371092.db2.gz INMBHEOIVQFOFP-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936458 419371097 /nfs/dbraw/zinc/37/10/97/419371097.db2.gz INMBHEOIVQFOFP-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000420990807 419430554 /nfs/dbraw/zinc/43/05/54/419430554.db2.gz VAGZEDVUDRHUOJ-LBPRGKRZSA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000420990807 419430559 /nfs/dbraw/zinc/43/05/59/419430559.db2.gz VAGZEDVUDRHUOJ-LBPRGKRZSA-N 1 1 323.349 1.193 20 5 DDBDMO COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418106333 419535831 /nfs/dbraw/zinc/53/58/31/419535831.db2.gz CDQSITYMUYCZLW-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)C[C@@H]21 ZINC000413469477 419786258 /nfs/dbraw/zinc/78/62/58/419786258.db2.gz KOOJGGSBPXRSNQ-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO COC(=O)[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413511379 419787583 /nfs/dbraw/zinc/78/75/83/419787583.db2.gz ZLKBUPZLGTZHHB-GFCCVEGCSA-N 1 1 322.365 1.148 20 5 DDBDMO COC(=O)[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413511379 419787588 /nfs/dbraw/zinc/78/75/88/419787588.db2.gz ZLKBUPZLGTZHHB-GFCCVEGCSA-N 1 1 322.365 1.148 20 5 DDBDMO COC(=O)[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413508302 419789355 /nfs/dbraw/zinc/78/93/55/419789355.db2.gz XIOQXUORHFIXGK-LBPRGKRZSA-N 1 1 307.350 1.444 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299628676 229277683 /nfs/dbraw/zinc/27/76/83/229277683.db2.gz LGTHRGJYJMXEAS-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418997853 420041048 /nfs/dbraw/zinc/04/10/48/420041048.db2.gz LNTZLNZTSGAUNV-MNOVXSKESA-N 1 1 311.386 1.011 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430210939 420089607 /nfs/dbraw/zinc/08/96/07/420089607.db2.gz GEZGUCOWNZWHLC-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430210939 420089613 /nfs/dbraw/zinc/08/96/13/420089613.db2.gz GEZGUCOWNZWHLC-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430922428 420206462 /nfs/dbraw/zinc/20/64/62/420206462.db2.gz AGVAOLMMIBAMFG-NWDGAFQWSA-N 1 1 320.393 1.981 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416291930 420311485 /nfs/dbraw/zinc/31/14/85/420311485.db2.gz IFTBUKDPRHEWEQ-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416291930 420311490 /nfs/dbraw/zinc/31/14/90/420311490.db2.gz IFTBUKDPRHEWEQ-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416495277 420394207 /nfs/dbraw/zinc/39/42/07/420394207.db2.gz LCUXQAOCDYPOSI-NSHDSACASA-N 1 1 313.379 1.133 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425541168 420413578 /nfs/dbraw/zinc/41/35/78/420413578.db2.gz FYOXRMFKCNLBJI-NSHDSACASA-N 1 1 303.322 1.581 20 5 DDBDMO CNC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450795803 420534049 /nfs/dbraw/zinc/53/40/49/420534049.db2.gz ROHXEQVEUPHYGR-SMDDNHRTSA-N 1 1 304.350 1.095 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114144 420618317 /nfs/dbraw/zinc/61/83/17/420618317.db2.gz KGGZXCAPRSYCHI-NSHDSACASA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114144 420618322 /nfs/dbraw/zinc/61/83/22/420618322.db2.gz KGGZXCAPRSYCHI-NSHDSACASA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457114144 420618326 /nfs/dbraw/zinc/61/83/26/420618326.db2.gz KGGZXCAPRSYCHI-NSHDSACASA-N 1 1 323.397 1.825 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)CCOCCO ZINC000459784835 420872362 /nfs/dbraw/zinc/87/23/62/420872362.db2.gz JFWYJDSFEZOCJE-UHFFFAOYSA-N 1 1 318.757 1.051 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)CCOCCO ZINC000459784835 420872366 /nfs/dbraw/zinc/87/23/66/420872366.db2.gz JFWYJDSFEZOCJE-UHFFFAOYSA-N 1 1 318.757 1.051 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)N1CCN(C)CC1 ZINC000449134361 420956724 /nfs/dbraw/zinc/95/67/24/420956724.db2.gz IRBNDVKSUJVSBH-HUUCEWRRSA-N 1 1 320.437 1.751 20 5 DDBDMO CNc1nc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000456004537 421087177 /nfs/dbraw/zinc/08/71/77/421087177.db2.gz KFHPDFKRXZZABD-SNVBAGLBSA-N 1 1 319.365 1.412 20 5 DDBDMO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449716770 421068156 /nfs/dbraw/zinc/06/81/56/421068156.db2.gz LYOUCWUVHBVEAY-DTWKUNHWSA-N 1 1 303.322 1.328 20 5 DDBDMO Cc1nc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450482665 421202543 /nfs/dbraw/zinc/20/25/43/421202543.db2.gz HLEWEILILPXZEM-PHIMTYICSA-N 1 1 309.370 1.239 20 5 DDBDMO Cc1nc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450482665 421202545 /nfs/dbraw/zinc/20/25/45/421202545.db2.gz HLEWEILILPXZEM-PHIMTYICSA-N 1 1 309.370 1.239 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000491970678 421205433 /nfs/dbraw/zinc/20/54/33/421205433.db2.gz DBEMQWBPMZFMFN-DAXSKMNVSA-N 1 1 319.361 1.447 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777270 421629655 /nfs/dbraw/zinc/62/96/55/421629655.db2.gz DWYZWLZQBDZSHE-GXTWGEPZSA-N 1 1 310.350 1.169 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000517777270 421629657 /nfs/dbraw/zinc/62/96/57/421629657.db2.gz DWYZWLZQBDZSHE-GXTWGEPZSA-N 1 1 310.350 1.169 20 5 DDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554877955 421663769 /nfs/dbraw/zinc/66/37/69/421663769.db2.gz SYTUSGMJDVGQTP-JTQLQIEISA-N 1 1 318.337 1.382 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000573794111 422015051 /nfs/dbraw/zinc/01/50/51/422015051.db2.gz FSPZDJAEJDTNSX-GXSJLCMTSA-N 1 1 307.354 1.047 20 5 DDBDMO Cc1nnsc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583937288 422221645 /nfs/dbraw/zinc/22/16/45/422221645.db2.gz HWGSOSHCZQHZRC-SNVBAGLBSA-N 1 1 320.378 1.836 20 5 DDBDMO Cc1nnsc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000583937288 422221650 /nfs/dbraw/zinc/22/16/50/422221650.db2.gz HWGSOSHCZQHZRC-SNVBAGLBSA-N 1 1 320.378 1.836 20 5 DDBDMO C[C@@H]1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C[N@H+]1C1CC1 ZINC000584383767 422299386 /nfs/dbraw/zinc/29/93/86/422299386.db2.gz PEOQRFYKDGKYIK-ZJUUUORDSA-N 1 1 302.338 1.675 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000584788291 422300668 /nfs/dbraw/zinc/30/06/68/422300668.db2.gz KNBGKSYFTYFFLN-MNOVXSKESA-N 1 1 321.381 1.586 20 5 DDBDMO Nc1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000596163553 422369106 /nfs/dbraw/zinc/36/91/06/422369106.db2.gz WSDBATKSDYJRSP-STQMWFEESA-N 1 1 321.381 1.627 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344662744 272084257 /nfs/dbraw/zinc/08/42/57/272084257.db2.gz KMIQUOGEVOWQRU-LLVKDONJSA-N 1 1 323.397 1.487 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345328974 272221009 /nfs/dbraw/zinc/22/10/09/272221009.db2.gz VEJKXJXFHXAEQJ-NWDGAFQWSA-N 1 1 306.366 1.606 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000345593537 272287674 /nfs/dbraw/zinc/28/76/74/272287674.db2.gz CPMUHOXTGILFHT-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO COCC[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276605415 274031484 /nfs/dbraw/zinc/03/14/84/274031484.db2.gz KYXCIJORDFMKAI-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@@H+](CCO)CC2)c(F)c1 ZINC000121711405 275033701 /nfs/dbraw/zinc/03/37/01/275033701.db2.gz UAZCEZVGPVZQMB-UHFFFAOYSA-N 1 1 301.293 1.377 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(N2CCC[N@H+](CCO)CC2)c(F)c1 ZINC000121711405 275033702 /nfs/dbraw/zinc/03/37/02/275033702.db2.gz UAZCEZVGPVZQMB-UHFFFAOYSA-N 1 1 301.293 1.377 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269445184 276040100 /nfs/dbraw/zinc/04/01/00/276040100.db2.gz QFRUBIRTAVSRDB-UHFFFAOYSA-N 1 1 323.397 1.855 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000284899857 277130119 /nfs/dbraw/zinc/13/01/19/277130119.db2.gz HOWHDNOUOACTJY-UWVGGRQHSA-N 1 1 323.378 1.213 20 5 DDBDMO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113700 277182706 /nfs/dbraw/zinc/18/27/06/277182706.db2.gz YQSWSUDAAPESPW-ABAIWWIYSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275113700 277182707 /nfs/dbraw/zinc/18/27/07/277182707.db2.gz YQSWSUDAAPESPW-ABAIWWIYSA-N 1 1 319.361 1.857 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+](C)C1CC1 ZINC000290796301 278244538 /nfs/dbraw/zinc/24/45/38/278244538.db2.gz PBTRBERSGXKIDZ-CYBMUJFWSA-N 1 1 308.334 1.631 20 5 DDBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191666467 279239155 /nfs/dbraw/zinc/23/91/55/279239155.db2.gz OYQCLZHTIPLASC-INIZCTEOSA-N 1 1 323.393 1.630 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357540308 279398517 /nfs/dbraw/zinc/39/85/17/279398517.db2.gz XBOUCIATZSDQAZ-GHMZBOCLSA-N 1 1 321.381 1.398 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444270535 295285090 /nfs/dbraw/zinc/28/50/90/295285090.db2.gz RJTVFAQAWGNVMA-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000358038407 299054011 /nfs/dbraw/zinc/05/40/11/299054011.db2.gz FZPAZLTWGJLOMG-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362073129 300000493 /nfs/dbraw/zinc/00/04/93/300000493.db2.gz UHYUGJWVKWSEHX-QWRGUYRKSA-N 1 1 323.349 1.102 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362073129 300000495 /nfs/dbraw/zinc/00/04/95/300000495.db2.gz UHYUGJWVKWSEHX-QWRGUYRKSA-N 1 1 323.349 1.102 20 5 DDBDMO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363063831 300205316 /nfs/dbraw/zinc/20/53/16/300205316.db2.gz MGCJALGHSIOWME-CQSZACIVSA-N 1 1 319.409 1.595 20 5 DDBDMO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363063831 300205318 /nfs/dbraw/zinc/20/53/18/300205318.db2.gz MGCJALGHSIOWME-CQSZACIVSA-N 1 1 319.409 1.595 20 5 DDBDMO Cc1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000364018314 300335696 /nfs/dbraw/zinc/33/56/96/300335696.db2.gz OTBZEFSPZUAHSJ-UHFFFAOYSA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1nnc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000364018314 300335699 /nfs/dbraw/zinc/33/56/99/300335699.db2.gz OTBZEFSPZUAHSJ-UHFFFAOYSA-N 1 1 305.342 1.097 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)o2)cc1 ZINC000364326036 300376474 /nfs/dbraw/zinc/37/64/74/300376474.db2.gz STXIZYIYLVVILL-UONOGXRCSA-N 1 1 318.329 1.782 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000365264485 300493123 /nfs/dbraw/zinc/49/31/23/300493123.db2.gz GIRSQDFDRBKWDR-DOMZBBRYSA-N 1 1 316.361 1.714 20 5 DDBDMO CCn1cc(C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000365853301 300594720 /nfs/dbraw/zinc/59/47/20/300594720.db2.gz KXEVARISAXNGIF-UHFFFAOYSA-N 1 1 318.381 1.924 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497259 301041039 /nfs/dbraw/zinc/04/10/39/301041039.db2.gz XBSQUIIMJXFIBB-FXUDXRNXSA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497259 301041041 /nfs/dbraw/zinc/04/10/41/301041041.db2.gz XBSQUIIMJXFIBB-FXUDXRNXSA-N 1 1 317.389 1.851 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000368497259 301041043 /nfs/dbraw/zinc/04/10/43/301041043.db2.gz XBSQUIIMJXFIBB-FXUDXRNXSA-N 1 1 317.389 1.851 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000369010253 301118604 /nfs/dbraw/zinc/11/86/04/301118604.db2.gz POKUSOVGVVGJAM-CYBMUJFWSA-N 1 1 321.381 1.441 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000369010253 301118606 /nfs/dbraw/zinc/11/86/06/301118606.db2.gz POKUSOVGVVGJAM-CYBMUJFWSA-N 1 1 321.381 1.441 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369664026 301208515 /nfs/dbraw/zinc/20/85/15/301208515.db2.gz NSGUFUCALMVFLC-SWLSCSKDSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369664026 301208519 /nfs/dbraw/zinc/20/85/19/301208519.db2.gz NSGUFUCALMVFLC-SWLSCSKDSA-N 1 1 319.361 1.953 20 5 DDBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370000860 301255778 /nfs/dbraw/zinc/25/57/78/301255778.db2.gz FLCWSIYVGUSJGJ-CYBMUJFWSA-N 1 1 321.381 1.268 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000376928227 302122329 /nfs/dbraw/zinc/12/23/29/302122329.db2.gz YXJKCTPKUCRFLJ-XBFCOCLRSA-N 1 1 321.381 1.686 20 5 DDBDMO CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccccc1Cl ZINC000377123229 302145883 /nfs/dbraw/zinc/14/58/83/302145883.db2.gz OPKBEFNHOBRNLD-MRVWCRGKSA-N 1 1 323.780 1.820 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000533226804 303314018 /nfs/dbraw/zinc/31/40/18/303314018.db2.gz MECGHNAZOORVMU-LLVKDONJSA-N 1 1 321.381 1.752 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735172 303550173 /nfs/dbraw/zinc/55/01/73/303550173.db2.gz VUMUBOKIKVILMI-UHFFFAOYSA-N 1 1 315.333 1.209 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000362254136 307015768 /nfs/dbraw/zinc/01/57/68/307015768.db2.gz BOCBYPWNTBCYJH-JQWIXIFHSA-N 1 1 321.381 1.437 20 5 DDBDMO Cn1nccc1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000363428796 307027818 /nfs/dbraw/zinc/02/78/18/307027818.db2.gz CRWFOOHRAXBMLC-LBPRGKRZSA-N 1 1 304.354 1.404 20 5 DDBDMO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000370647396 307131583 /nfs/dbraw/zinc/13/15/83/307131583.db2.gz HABNVASFWVSKEK-CYBMUJFWSA-N 1 1 321.381 1.304 20 5 DDBDMO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000370647396 307131584 /nfs/dbraw/zinc/13/15/84/307131584.db2.gz HABNVASFWVSKEK-CYBMUJFWSA-N 1 1 321.381 1.304 20 5 DDBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268381 307242001 /nfs/dbraw/zinc/24/20/01/307242001.db2.gz VKHIKEGCHHZLGN-BXUZGUMPSA-N 1 1 308.338 1.066 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450925757 307306438 /nfs/dbraw/zinc/30/64/38/307306438.db2.gz ZMWQEKXLRUAFGN-UHFFFAOYSA-N 1 1 322.413 1.521 20 5 DDBDMO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576237735 308300052 /nfs/dbraw/zinc/30/00/52/308300052.db2.gz HSCBASCSIBYUQR-RYUDHWBXSA-N 1 1 318.333 1.894 20 5 DDBDMO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010078 533915400 /nfs/dbraw/zinc/91/54/00/533915400.db2.gz YFVAZCJARKURGQ-VXGBXAGGSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010078 533915402 /nfs/dbraw/zinc/91/54/02/533915402.db2.gz YFVAZCJARKURGQ-VXGBXAGGSA-N 1 1 311.357 1.934 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000157325558 527413685 /nfs/dbraw/zinc/41/36/85/527413685.db2.gz AJCOZOCEQVKFTO-UHFFFAOYSA-N 1 1 317.349 1.319 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820665053 599590686 /nfs/dbraw/zinc/59/06/86/599590686.db2.gz DLEOMGJHWNNZIY-BDAKNGLRSA-N 1 1 318.341 1.065 20 5 DDBDMO C[C@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000820669006 606711824 /nfs/dbraw/zinc/71/18/24/606711824.db2.gz YKKPZWLSYHOSIN-DTWKUNHWSA-N 1 1 318.341 1.065 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824992258 608554795 /nfs/dbraw/zinc/55/47/95/608554795.db2.gz LDGWTFLUANGXPZ-NXEZZACHSA-N 1 1 317.353 1.304 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797418618 700008909 /nfs/dbraw/zinc/00/89/09/700008909.db2.gz ZNJLTDIICDCOIZ-HNNXBMFYSA-N 1 1 317.349 1.360 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000746474801 700026192 /nfs/dbraw/zinc/02/61/92/700026192.db2.gz APDBUJROZSAAGU-UHFFFAOYSA-N 1 1 320.349 1.229 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000126747774 696765160 /nfs/dbraw/zinc/76/51/60/696765160.db2.gz OZDDUQJPHPFYGO-NSHDSACASA-N 1 1 318.782 1.915 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000175317594 697396032 /nfs/dbraw/zinc/39/60/32/697396032.db2.gz AYVYSOPCWRDMPW-NSHDSACASA-N 1 1 306.366 1.557 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000194739408 697720055 /nfs/dbraw/zinc/72/00/55/697720055.db2.gz ORHZDCLZAPYEOB-JTQLQIEISA-N 1 1 308.294 1.327 20 5 DDBDMO Cc1nn(C[N@H+](C)CCn2cccn2)c2ncc([N+](=O)[O-])cc12 ZINC000749954270 700194398 /nfs/dbraw/zinc/19/43/98/700194398.db2.gz SRFFAJYWCZORJW-UHFFFAOYSA-N 1 1 315.337 1.434 20 5 DDBDMO Cc1nn(C[N@@H+](C)CCn2cccn2)c2ncc([N+](=O)[O-])cc12 ZINC000749954270 700194400 /nfs/dbraw/zinc/19/44/00/700194400.db2.gz SRFFAJYWCZORJW-UHFFFAOYSA-N 1 1 315.337 1.434 20 5 DDBDMO Cc1c[nH+]ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000776793027 698140814 /nfs/dbraw/zinc/14/08/14/698140814.db2.gz WFJMIMIBWKHFAS-UHFFFAOYSA-N 1 1 321.358 1.705 20 5 DDBDMO CN1CCC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000778931831 698383301 /nfs/dbraw/zinc/38/33/01/698383301.db2.gz FMUUALWEBLHSFW-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO CO[C@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@H]1C ZINC000783969075 698896346 /nfs/dbraw/zinc/89/63/46/698896346.db2.gz RYPGQAHNVPSBMJ-YGRLFVJLSA-N 1 1 319.365 1.962 20 5 DDBDMO CO[C@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@H]1C ZINC000783969075 698896350 /nfs/dbraw/zinc/89/63/50/698896350.db2.gz RYPGQAHNVPSBMJ-YGRLFVJLSA-N 1 1 319.365 1.962 20 5 DDBDMO COCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000786190886 699133247 /nfs/dbraw/zinc/13/32/47/699133247.db2.gz OOXHKPMGVAPKSV-GJZGRUSLSA-N 1 1 310.350 1.366 20 5 DDBDMO CO[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000792714464 699708375 /nfs/dbraw/zinc/70/83/75/699708375.db2.gz XKVZGORRSTUHMD-OKILXGFUSA-N 1 1 306.322 1.248 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1OC ZINC000792714464 699708377 /nfs/dbraw/zinc/70/83/77/699708377.db2.gz XKVZGORRSTUHMD-OKILXGFUSA-N 1 1 306.322 1.248 20 5 DDBDMO C[N@@H+](CCc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743849639 699928530 /nfs/dbraw/zinc/92/85/30/699928530.db2.gz YAPFSZUWGODOAL-AWEZNQCLSA-N 1 1 322.340 1.466 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000758332464 700699153 /nfs/dbraw/zinc/69/91/53/700699153.db2.gz BJFDNSBOFSVNLQ-ZANVPECISA-N 1 1 307.325 1.946 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336338 700699588 /nfs/dbraw/zinc/69/95/88/700699588.db2.gz PVEFHNWFDPSHDM-MFKMUULPSA-N 1 1 318.377 1.698 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762817731 700908505 /nfs/dbraw/zinc/90/85/05/700908505.db2.gz KAPANDQTRBKPAG-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000765454029 701013511 /nfs/dbraw/zinc/01/35/11/701013511.db2.gz XFKZMNSPNLDPCM-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO CC1(C)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000804631554 701204936 /nfs/dbraw/zinc/20/49/36/701204936.db2.gz WWPRXYZEMCRPNS-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO CC1(C)CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000804631554 701204939 /nfs/dbraw/zinc/20/49/39/701204939.db2.gz WWPRXYZEMCRPNS-UHFFFAOYSA-N 1 1 324.337 1.396 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)OCCn2cc[nH+]c2C)c1 ZINC000771937745 701337593 /nfs/dbraw/zinc/33/75/93/701337593.db2.gz NSRDCNLJSPLTKD-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000839612879 701754483 /nfs/dbraw/zinc/75/44/83/701754483.db2.gz SKMBJLXENRHXNE-RBSFLKMASA-N 1 1 309.410 1.622 20 5 DDBDMO C[C@H]1CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)[C@@H]1C ZINC000840058945 701944227 /nfs/dbraw/zinc/94/42/27/701944227.db2.gz YINZDZRBVSSARF-NWDGAFQWSA-N 1 1 321.381 1.500 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812328263 702152459 /nfs/dbraw/zinc/15/24/59/702152459.db2.gz BTTGNQHOMKZHQJ-PWSUYJOCSA-N 1 1 307.325 1.758 20 5 DDBDMO Cc1cc(N2CC[NH+](CCCCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000812460007 702184360 /nfs/dbraw/zinc/18/43/60/702184360.db2.gz KIVVXJUHKRMPAI-UHFFFAOYSA-N 1 1 311.357 1.937 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320870 706648611 /nfs/dbraw/zinc/64/86/11/706648611.db2.gz JSHBEQYEORECAY-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816953656 702237400 /nfs/dbraw/zinc/23/74/00/702237400.db2.gz LOOSPBQXZXQKGV-NHYWBVRUSA-N 1 1 318.377 1.437 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842160837 702678371 /nfs/dbraw/zinc/67/83/71/702678371.db2.gz AJMTWPHLFCHMIR-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)c1 ZINC000842568125 702734108 /nfs/dbraw/zinc/73/41/08/702734108.db2.gz HJTIGWHTGYWFFU-LBPRGKRZSA-N 1 1 304.306 1.913 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1CC[N@@H+](C)C1 ZINC000843990489 702949785 /nfs/dbraw/zinc/94/97/85/702949785.db2.gz UJIAOJWEFMDGRR-GFCCVEGCSA-N 1 1 306.366 1.733 20 5 DDBDMO O=C1[C@H]([N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000844457769 703033984 /nfs/dbraw/zinc/03/39/84/703033984.db2.gz ZPQBAURUDNIEEH-FRRDWIJNSA-N 1 1 323.299 1.897 20 5 DDBDMO O=C1[C@H]([N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000844457769 703033986 /nfs/dbraw/zinc/03/39/86/703033986.db2.gz ZPQBAURUDNIEEH-FRRDWIJNSA-N 1 1 323.299 1.897 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879571283 706722335 /nfs/dbraw/zinc/72/23/35/706722335.db2.gz OSLBIFPAFTZLEK-KBPBESRZSA-N 1 1 305.378 2.000 20 5 DDBDMO O=C1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538568 706728108 /nfs/dbraw/zinc/72/81/08/706728108.db2.gz FEQNXDSZNFNWOX-GXTWGEPZSA-N 1 1 317.345 1.579 20 5 DDBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC000870908891 704163807 /nfs/dbraw/zinc/16/38/07/704163807.db2.gz CFRAHKUJSOTBNE-RBSFLKMASA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000870908891 704163809 /nfs/dbraw/zinc/16/38/09/704163809.db2.gz CFRAHKUJSOTBNE-RBSFLKMASA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000870908891 704163811 /nfs/dbraw/zinc/16/38/11/704163811.db2.gz CFRAHKUJSOTBNE-RBSFLKMASA-N 1 1 303.362 1.351 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)OC ZINC000858588779 704731547 /nfs/dbraw/zinc/73/15/47/704731547.db2.gz OWTGEUWCVHQBCD-VHSXEESVSA-N 1 1 311.338 1.662 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858811546 704760355 /nfs/dbraw/zinc/76/03/55/704760355.db2.gz CTTMCSJVWDMUES-MRVPVSSYSA-N 1 1 303.721 1.866 20 5 DDBDMO COc1ccc(OCC[N@H+]2[C@@H](C)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000880438933 706977018 /nfs/dbraw/zinc/97/70/18/706977018.db2.gz FGFWJJPFGLPOGG-RYUDHWBXSA-N 1 1 310.350 1.827 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000861033242 705354033 /nfs/dbraw/zinc/35/40/33/705354033.db2.gz HXFPRAIIOSWQIR-NSHDSACASA-N 1 1 311.338 1.201 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826757504 705866576 /nfs/dbraw/zinc/86/65/76/705866576.db2.gz DKJNGCUYPKALHN-CQSZACIVSA-N 1 1 309.366 1.476 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827302700 705972022 /nfs/dbraw/zinc/97/20/22/705972022.db2.gz XCFPPVGHDJGRLB-QMTHXVAHSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827302700 705972025 /nfs/dbraw/zinc/97/20/25/705972025.db2.gz XCFPPVGHDJGRLB-QMTHXVAHSA-N 1 1 305.334 1.467 20 5 DDBDMO Cn1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000877599248 706154534 /nfs/dbraw/zinc/15/45/34/706154534.db2.gz SEDSVQLKVZKDOX-OAHLLOKOSA-N 1 1 304.350 1.668 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])n1 ZINC000877599248 706154537 /nfs/dbraw/zinc/15/45/37/706154537.db2.gz SEDSVQLKVZKDOX-OAHLLOKOSA-N 1 1 304.350 1.668 20 5 DDBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000828905413 706253394 /nfs/dbraw/zinc/25/33/94/706253394.db2.gz WPIPNMOQBOVGAA-NHYWBVRUSA-N 1 1 319.361 1.395 20 5 DDBDMO Cn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cnc1Cl ZINC000865702902 706500254 /nfs/dbraw/zinc/50/02/54/706500254.db2.gz HYSZEXJKDYUOOS-CQSZACIVSA-N 1 1 324.768 1.979 20 5 DDBDMO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000879041562 706570357 /nfs/dbraw/zinc/57/03/57/706570357.db2.gz HGIMBYQIQUNJPM-CYBMUJFWSA-N 1 1 313.304 1.769 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000880608645 707038764 /nfs/dbraw/zinc/03/87/64/707038764.db2.gz GOXPCEDEVWAEAJ-PHIMTYICSA-N 1 1 309.370 1.041 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000837188360 707594479 /nfs/dbraw/zinc/59/44/79/707594479.db2.gz DYPQRCQZBDTDOS-SNVBAGLBSA-N 1 1 324.356 1.871 20 5 DDBDMO Cc1c(C[NH2+][C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873045026 707706788 /nfs/dbraw/zinc/70/67/88/707706788.db2.gz AKANIAUKLHCWSA-ZDUSSCGKSA-N 1 1 306.410 1.629 20 5 DDBDMO CC1CC[NH+](Cc2cn(CCn3ccc([N+](=O)[O-])n3)nn2)CC1 ZINC000883993735 708095557 /nfs/dbraw/zinc/09/55/57/708095557.db2.gz UUVNMQXEIZGCEJ-UHFFFAOYSA-N 1 1 319.369 1.315 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000884825463 708388350 /nfs/dbraw/zinc/38/83/50/708388350.db2.gz YFYJCVVDASXRQD-UHFFFAOYSA-N 1 1 307.272 1.950 20 5 DDBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886019399 708682253 /nfs/dbraw/zinc/68/22/53/708682253.db2.gz SQJZJIXTLDFVHI-KGLIPLIRSA-N 1 1 321.377 1.742 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000912610349 713048961 /nfs/dbraw/zinc/04/89/61/713048961.db2.gz KZKSBVIPCRVSMJ-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCn2nncc2C1 ZINC000886465057 708764438 /nfs/dbraw/zinc/76/44/38/708764438.db2.gz PVGHZXUDWPZQDZ-UHFFFAOYSA-N 1 1 303.322 1.601 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCn2nncc2C1 ZINC000886465057 708764440 /nfs/dbraw/zinc/76/44/40/708764440.db2.gz PVGHZXUDWPZQDZ-UHFFFAOYSA-N 1 1 303.322 1.601 20 5 DDBDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839777 708858839 /nfs/dbraw/zinc/85/88/39/708858839.db2.gz LVBXBWGPVGWLNV-YUELXQCFSA-N 1 1 320.393 1.708 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000889224801 709464284 /nfs/dbraw/zinc/46/42/84/709464284.db2.gz WORKIKDZNCUXEJ-UHFFFAOYSA-N 1 1 307.354 1.191 20 5 DDBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000912954607 713134349 /nfs/dbraw/zinc/13/43/49/713134349.db2.gz FCLZDDAOSLXCDP-UHFFFAOYSA-N 1 1 321.377 1.826 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901181162 709958617 /nfs/dbraw/zinc/95/86/17/709958617.db2.gz KCFIEEHQMLNXIB-UHFFFAOYSA-N 1 1 301.705 1.823 20 5 DDBDMO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000901328966 710011578 /nfs/dbraw/zinc/01/15/78/710011578.db2.gz JVNSWJRBOHIIPU-WBMJQRKESA-N 1 1 321.377 1.619 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000928249076 713157386 /nfs/dbraw/zinc/15/73/86/713157386.db2.gz OWPYOEKBDNRZOK-RISCZKNCSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000928249076 713157387 /nfs/dbraw/zinc/15/73/87/713157387.db2.gz OWPYOEKBDNRZOK-RISCZKNCSA-N 1 1 307.350 1.493 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000891487119 710216481 /nfs/dbraw/zinc/21/64/81/710216481.db2.gz SOJFCLOFWTXJLV-UHFFFAOYSA-N 1 1 323.397 1.775 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000928439693 713196236 /nfs/dbraw/zinc/19/62/36/713196236.db2.gz JVQKRKDKVNHQOG-ONGXEEELSA-N 1 1 302.334 1.899 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928438953 713196502 /nfs/dbraw/zinc/19/65/02/713196502.db2.gz VFZNLKJHLJPXBT-MNOVXSKESA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452780 713203476 /nfs/dbraw/zinc/20/34/76/713203476.db2.gz JKDBAAREQHFQDM-GWCFXTLKSA-N 1 1 309.391 1.896 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1CO ZINC000894881094 711307048 /nfs/dbraw/zinc/30/70/48/711307048.db2.gz IRAHLWBGJMNFCI-SNVBAGLBSA-N 1 1 301.293 1.645 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1CO ZINC000894881094 711307052 /nfs/dbraw/zinc/30/70/52/711307052.db2.gz IRAHLWBGJMNFCI-SNVBAGLBSA-N 1 1 301.293 1.645 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000895515984 711531286 /nfs/dbraw/zinc/53/12/86/711531286.db2.gz YRQDJJSKZNFNFG-ZYHUDNBSSA-N 1 1 310.350 1.759 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896526578 711738931 /nfs/dbraw/zinc/73/89/31/711738931.db2.gz YZMAVFPNUNNRKB-LBPRGKRZSA-N 1 1 322.365 1.664 20 5 DDBDMO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1=O ZINC000905274225 711988886 /nfs/dbraw/zinc/98/88/86/711988886.db2.gz NXQNLRKYQFBAJN-SMDDNHRTSA-N 1 1 309.341 1.744 20 5 DDBDMO Cc1nn(C[N@@H+]2CCO[C@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000905738951 712135631 /nfs/dbraw/zinc/13/56/31/712135631.db2.gz MSLOHPJHOTWAPG-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@H+]2CCO[C@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000905738951 712135632 /nfs/dbraw/zinc/13/56/32/712135632.db2.gz MSLOHPJHOTWAPG-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000905984566 712209611 /nfs/dbraw/zinc/20/96/11/712209611.db2.gz NCNNTYGLVNKZES-VWYCJHECSA-N 1 1 309.370 1.039 20 5 DDBDMO COc1cc2c(c(OC)c1OC)CC[N@H+](CC[N+](=O)[O-])CC2 ZINC000929856086 713707729 /nfs/dbraw/zinc/70/77/29/713707729.db2.gz GOUWEXIJOIDZDA-UHFFFAOYSA-N 1 1 310.350 1.390 20 5 DDBDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC[N+](=O)[O-])CC2 ZINC000929856086 713707732 /nfs/dbraw/zinc/70/77/32/713707732.db2.gz GOUWEXIJOIDZDA-UHFFFAOYSA-N 1 1 310.350 1.390 20 5 DDBDMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929877722 713711581 /nfs/dbraw/zinc/71/15/81/713711581.db2.gz JDQLCQHWQSIQBK-UHFFFAOYSA-N 1 1 310.329 1.688 20 5 DDBDMO Cn1nc2c(c1C[NH2+]Cc1ccccc1[N+](=O)[O-])COCC2 ZINC000921551096 713805560 /nfs/dbraw/zinc/80/55/60/713805560.db2.gz YMYPVSNZWWIWTQ-UHFFFAOYSA-N 1 1 302.334 1.691 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914215 713957144 /nfs/dbraw/zinc/95/71/44/713957144.db2.gz GWZRQAHPYKHLRD-AGIUHOORSA-N 1 1 321.377 1.948 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000933372681 714574923 /nfs/dbraw/zinc/57/49/23/714574923.db2.gz UPNUBXYBWPCHSM-AAEUAGOBSA-N 1 1 323.397 1.431 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)n1 ZINC000933682116 714647402 /nfs/dbraw/zinc/64/74/02/714647402.db2.gz OMMSDXQRUWEYBV-QWHCGFSZSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)n1 ZINC000933682116 714647405 /nfs/dbraw/zinc/64/74/05/714647405.db2.gz OMMSDXQRUWEYBV-QWHCGFSZSA-N 1 1 310.354 1.061 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946589317 718844467 /nfs/dbraw/zinc/84/44/67/718844467.db2.gz RPLSFRVCMCMDPP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946589317 718844470 /nfs/dbraw/zinc/84/44/70/718844470.db2.gz RPLSFRVCMCMDPP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946589317 718844480 /nfs/dbraw/zinc/84/44/80/718844480.db2.gz RPLSFRVCMCMDPP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164643440 719218084 /nfs/dbraw/zinc/21/80/84/719218084.db2.gz YVJKPLLLUMSRBP-GHMZBOCLSA-N 1 1 322.365 1.695 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939408 742881608 /nfs/dbraw/zinc/88/16/08/742881608.db2.gz XDHNBWFQVNIJCU-HZPDHXFCSA-N 1 1 313.357 1.711 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001187926578 744636450 /nfs/dbraw/zinc/63/64/50/744636450.db2.gz LUGKYEHIOKDPJK-CYBMUJFWSA-N 1 1 321.377 1.841 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001198157595 747393848 /nfs/dbraw/zinc/39/38/48/747393848.db2.gz RFDOBYVIVPMCQA-LBPRGKRZSA-N 1 1 315.333 1.036 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000996442015 749575819 /nfs/dbraw/zinc/57/58/19/749575819.db2.gz UKJLAXOBQRWKPH-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000996429654 749589166 /nfs/dbraw/zinc/58/91/66/749589166.db2.gz ROXFDZQUCDGDKO-HUUCEWRRSA-N 1 1 321.352 1.572 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643582 750625212 /nfs/dbraw/zinc/62/52/12/750625212.db2.gz PNSQPGCFIGOAPZ-DDHJBXDOSA-N 1 1 324.406 1.325 20 5 DDBDMO COC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169022094 762201294 /nfs/dbraw/zinc/20/12/94/762201294.db2.gz MUZSECJYXQWMOG-CAOSSQGBSA-N 1 1 312.410 1.949 20 5 DDBDMO COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169053580 762209059 /nfs/dbraw/zinc/20/90/59/762209059.db2.gz IZFUONYPSVFUIN-MGPQQGTHSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000827974859 759433561 /nfs/dbraw/zinc/43/35/61/759433561.db2.gz HYVULXXIRXPGFU-LBPRGKRZSA-N 1 1 317.345 1.205 20 5 DDBDMO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020138924 760612560 /nfs/dbraw/zinc/61/25/60/760612560.db2.gz IHEABKHUGWXSCV-KLHDSHLOSA-N 1 1 317.389 1.705 20 5 DDBDMO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC1 ZINC001050245077 763366779 /nfs/dbraw/zinc/36/67/79/763366779.db2.gz YRDMHKNRVPNDCH-HZPDHXFCSA-N 1 1 317.389 1.810 20 5 DDBDMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC001050245077 763366789 /nfs/dbraw/zinc/36/67/89/763366789.db2.gz YRDMHKNRVPNDCH-HZPDHXFCSA-N 1 1 317.389 1.810 20 5 DDBDMO C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC001050245077 763366800 /nfs/dbraw/zinc/36/68/00/763366800.db2.gz YRDMHKNRVPNDCH-HZPDHXFCSA-N 1 1 317.389 1.810 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H](O)[C@H](CO)C1)CC2 ZINC001172905993 776916670 /nfs/dbraw/zinc/91/66/70/776916670.db2.gz VYWFWNLHZXMGFN-SQWLQELKSA-N 1 1 306.362 1.127 20 5 DDBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176532962 778172513 /nfs/dbraw/zinc/17/25/13/778172513.db2.gz CLPFGNDZWDQQKP-NWDGAFQWSA-N 1 1 323.324 1.015 20 5 DDBDMO CC1([NH+]2CCCC2)CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001178090805 778894571 /nfs/dbraw/zinc/89/45/71/778894571.db2.gz QWWOGIWDCCJQTH-UHFFFAOYSA-N 1 1 321.381 1.845 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000069392182 779415050 /nfs/dbraw/zinc/41/50/50/779415050.db2.gz GDQOKGKOVXGRBA-ZDUSSCGKSA-N 1 1 321.377 1.746 20 5 DDBDMO C[N@H+](CCNC(=O)C1=COCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC001267186164 837494012 /nfs/dbraw/zinc/49/40/12/837494012.db2.gz YUIRBJFGSDYUJC-UHFFFAOYSA-N 1 1 321.333 1.031 20 5 DDBDMO C[N@@H+](CCNC(=O)C1=COCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC001267186164 837494017 /nfs/dbraw/zinc/49/40/17/837494017.db2.gz YUIRBJFGSDYUJC-UHFFFAOYSA-N 1 1 321.333 1.031 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1C ZINC001266390521 836197391 /nfs/dbraw/zinc/19/73/91/836197391.db2.gz AWIIFOHGMIJVGQ-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1C ZINC001266390521 836197393 /nfs/dbraw/zinc/19/73/93/836197393.db2.gz AWIIFOHGMIJVGQ-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1C ZINC001266390521 836197399 /nfs/dbraw/zinc/19/73/99/836197399.db2.gz AWIIFOHGMIJVGQ-HUUCEWRRSA-N 1 1 305.378 1.598 20 5 DDBDMO COCCOCC[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001326506156 861413389 /nfs/dbraw/zinc/41/33/89/861413389.db2.gz OCHSIMABFDIMFJ-UHFFFAOYSA-N 1 1 324.381 1.083 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001155195924 861821101 /nfs/dbraw/zinc/82/11/01/861821101.db2.gz HAFDGUJZAUYBLH-LLVKDONJSA-N 1 1 303.322 1.281 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001155195924 861821119 /nfs/dbraw/zinc/82/11/19/861821119.db2.gz HAFDGUJZAUYBLH-LLVKDONJSA-N 1 1 303.322 1.281 20 5 DDBDMO CCOC(=O)c1ccnc(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC001156009148 862629864 /nfs/dbraw/zinc/62/98/64/862629864.db2.gz JZMUXBODPQCVBV-UHFFFAOYSA-N 1 1 319.321 1.784 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001123318754 859173181 /nfs/dbraw/zinc/17/31/81/859173181.db2.gz SGLIXIFVRFAHAZ-BXUZGUMPSA-N 1 1 321.381 1.351 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001124003006 859519458 /nfs/dbraw/zinc/51/94/58/859519458.db2.gz LTZJFFNLQYMPOH-KCPJHIHWSA-N 1 1 303.362 1.973 20 5 DDBDMO C[N@@H+]1CCC[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001157264854 863693183 /nfs/dbraw/zinc/69/31/83/863693183.db2.gz GEPSZCIJDYKNPW-GXSJLCMTSA-N 1 1 312.757 1.412 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001157264854 863693191 /nfs/dbraw/zinc/69/31/91/863693191.db2.gz GEPSZCIJDYKNPW-GXSJLCMTSA-N 1 1 312.757 1.412 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cc(NCC2([NH+]3CCCC3)COC2)n1 ZINC001157655311 864020287 /nfs/dbraw/zinc/02/02/87/864020287.db2.gz OHHNGQKBKRAYDM-UHFFFAOYSA-N 1 1 312.757 1.920 20 5 DDBDMO COCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157761023 864110853 /nfs/dbraw/zinc/11/08/53/864110853.db2.gz KNKDOIZAJDPMST-HUUCEWRRSA-N 1 1 321.377 1.094 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC001331284352 864986626 /nfs/dbraw/zinc/98/66/26/864986626.db2.gz ZOPVMUBHPUBLEY-GFCCVEGCSA-N 1 1 320.393 1.875 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001332469835 865861837 /nfs/dbraw/zinc/86/18/37/865861837.db2.gz YFTLYMDUWXOANB-UHFFFAOYSA-N 1 1 304.281 1.828 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160720832 866060521 /nfs/dbraw/zinc/06/05/21/866060521.db2.gz SSONVZDLKGRXTQ-ZIAGYGMSSA-N 1 1 306.366 1.963 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC001332815781 866163496 /nfs/dbraw/zinc/16/34/96/866163496.db2.gz LRMQPRZYZVIHOM-YPMHNXCESA-N 1 1 318.377 1.945 20 5 DDBDMO COC(=O)c1ccnc(NCC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC001160965309 866224883 /nfs/dbraw/zinc/22/48/83/866224883.db2.gz WHSYKUVRTFWEEQ-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO COc1ncnc(NCc2[nH+]cn3ccccc23)c1[N+](=O)[O-] ZINC001161684171 866885641 /nfs/dbraw/zinc/88/56/41/866885641.db2.gz HGFFNBRXQDWDBU-UHFFFAOYSA-N 1 1 300.278 1.653 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCCCn2cncn2)ncc1[N+](=O)[O-] ZINC001161962853 867147273 /nfs/dbraw/zinc/14/72/73/867147273.db2.gz UGLZESZJMULVLB-QPJJXVBHSA-N 1 1 317.353 1.616 20 5 DDBDMO COc1c(O)ccc(C[NH2+]C2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC001334272580 867442857 /nfs/dbraw/zinc/44/28/57/867442857.db2.gz WVKYMNMVDIBHFW-UHFFFAOYSA-N 1 1 309.366 1.883 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001335230803 868158041 /nfs/dbraw/zinc/15/80/41/868158041.db2.gz REBSTVOKKFOCFN-NHYWBVRUSA-N 1 1 318.377 1.755 20 5 DDBDMO Cc1nn(CCC(=O)NC[C@@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC001336205364 868787903 /nfs/dbraw/zinc/78/79/03/868787903.db2.gz XSYYUEMRWMHPDM-ZDUSSCGKSA-N 1 1 323.397 1.399 20 5 DDBDMO CN(C)C1(CNc2nccc(N)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164210723 869019926 /nfs/dbraw/zinc/01/99/26/869019926.db2.gz HMJPLNGWZRBPRS-UHFFFAOYSA-N 1 1 308.386 1.010 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(C)[nH+]cc3C2)n1 ZINC001165388221 869561050 /nfs/dbraw/zinc/56/10/50/869561050.db2.gz WGBIOTYVSFMDPU-UHFFFAOYSA-N 1 1 317.305 1.302 20 5 DDBDMO C[C@@H](c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001338210356 869869488 /nfs/dbraw/zinc/86/94/88/869869488.db2.gz PJHANNWYLZYMKH-LBPRGKRZSA-N 1 1 322.413 1.608 20 5 DDBDMO CN(C)C(=O)C1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001166737523 870210353 /nfs/dbraw/zinc/21/03/53/870210353.db2.gz KIWWCUYPUADEAT-AATRIKPKSA-N 1 1 319.365 1.047 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001303469480 871125341 /nfs/dbraw/zinc/12/53/41/871125341.db2.gz GQXCEVQCIVLFHA-UHFFFAOYSA-N 1 1 321.312 1.505 20 5 DDBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001342234328 872093750 /nfs/dbraw/zinc/09/37/50/872093750.db2.gz OFEFTNWGUJZDHA-UHFFFAOYSA-N 1 1 307.375 1.918 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001354227305 877820451 /nfs/dbraw/zinc/82/04/51/877820451.db2.gz YHSUFOPOPJQIIW-PHIMTYICSA-N 1 1 309.370 1.117 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1COCC[N@@H+]1CC[C@@H](OC)C1 ZINC001223945768 881157846 /nfs/dbraw/zinc/15/78/46/881157846.db2.gz KWLDADGUFSMMFG-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228610439 883571430 /nfs/dbraw/zinc/57/14/30/883571430.db2.gz VKCMBFDQWGMTJW-SNVBAGLBSA-N 1 1 324.337 1.067 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228610439 883571443 /nfs/dbraw/zinc/57/14/43/883571443.db2.gz VKCMBFDQWGMTJW-SNVBAGLBSA-N 1 1 324.337 1.067 20 5 DDBDMO COC(=O)c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC001234058145 887603079 /nfs/dbraw/zinc/60/30/79/887603079.db2.gz NRLPWXWLBICKJW-LLVKDONJSA-N 1 1 317.301 1.972 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[NH2+]C[C@H]3F)CC2)cc1 ZINC001246085800 892408383 /nfs/dbraw/zinc/40/83/83/892408383.db2.gz IZMYRNDSEVCMNT-CVEARBPZSA-N 1 1 322.384 1.853 20 5 DDBDMO CN1C[C@@H]2C[C@H]1C[N@H+]2C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479937 896455860 /nfs/dbraw/zinc/45/58/60/896455860.db2.gz QYKYAXQYKWUBHI-IRXDYDNUSA-N 1 1 316.405 1.952 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597367 896525328 /nfs/dbraw/zinc/52/53/28/896525328.db2.gz CTQRIKUNHMFCLN-CJNGLKHVSA-N 1 1 317.389 1.862 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612474 896534275 /nfs/dbraw/zinc/53/42/75/896534275.db2.gz WTGHAYFTYDWFBV-HOCLYGCPSA-N 1 1 304.346 1.947 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)n1C ZINC000358076386 299070339 /nfs/dbraw/zinc/07/03/39/299070339.db2.gz LVCMYORRHVGVMI-UHFFFAOYSA-N 1 1 321.312 1.463 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C1 ZINC000286555165 219051225 /nfs/dbraw/zinc/05/12/25/219051225.db2.gz AAIOGCAUKXOPLB-LBPRGKRZSA-N 1 1 320.393 1.827 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C1 ZINC000286555165 219051229 /nfs/dbraw/zinc/05/12/29/219051229.db2.gz AAIOGCAUKXOPLB-LBPRGKRZSA-N 1 1 320.393 1.827 20 5 DDBDMO C[N@H+](CCC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286554551 219051430 /nfs/dbraw/zinc/05/14/30/219051430.db2.gz SPMGHUNGGNBNIV-UHFFFAOYSA-N 1 1 304.306 1.557 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286554551 219051433 /nfs/dbraw/zinc/05/14/33/219051433.db2.gz SPMGHUNGGNBNIV-UHFFFAOYSA-N 1 1 304.306 1.557 20 5 DDBDMO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000278597612 214263851 /nfs/dbraw/zinc/26/38/51/214263851.db2.gz ZHXSCGHKCBHKLD-NSHDSACASA-N 1 1 318.381 1.519 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295806361 529381760 /nfs/dbraw/zinc/38/17/60/529381760.db2.gz WKWJCSZBFQOOTH-SNVBAGLBSA-N 1 1 313.329 1.765 20 5 DDBDMO CC[C@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000495218495 529440371 /nfs/dbraw/zinc/44/03/71/529440371.db2.gz BGIWAKVAUGPEOJ-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000495218495 529440373 /nfs/dbraw/zinc/44/03/73/529440373.db2.gz BGIWAKVAUGPEOJ-INIZCTEOSA-N 1 1 319.361 1.331 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452126063 231313117 /nfs/dbraw/zinc/31/31/17/231313117.db2.gz TZIQTMRWBLGYAA-KGLIPLIRSA-N 1 1 324.377 1.429 20 5 DDBDMO CC[C@@](C)(C(=O)OC)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC000425513148 529493050 /nfs/dbraw/zinc/49/30/50/529493050.db2.gz OJKCMTMFWWXJOJ-HNNXBMFYSA-N 1 1 324.381 1.845 20 5 DDBDMO Cc1cnc(CC[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)s1 ZINC000090589739 185305602 /nfs/dbraw/zinc/30/56/02/185305602.db2.gz MOYPGOVRELIXJV-UHFFFAOYSA-N 1 1 322.390 1.696 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000090551641 185302727 /nfs/dbraw/zinc/30/27/27/185302727.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551641 185302728 /nfs/dbraw/zinc/30/27/28/185302728.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCN1C ZINC000090551641 185302729 /nfs/dbraw/zinc/30/27/29/185302729.db2.gz NNRGUYRPHWFPJU-OLZOCXBDSA-N 1 1 308.382 1.171 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000181576538 199321221 /nfs/dbraw/zinc/32/12/21/199321221.db2.gz IPDLHFBVUAHXBB-OLZOCXBDSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000181576538 199321223 /nfs/dbraw/zinc/32/12/23/199321223.db2.gz IPDLHFBVUAHXBB-OLZOCXBDSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491745135 529792473 /nfs/dbraw/zinc/79/24/73/529792473.db2.gz NTIKCVAUNSIPHG-MZBZXASESA-N 1 1 307.325 1.815 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000286752758 219147325 /nfs/dbraw/zinc/14/73/25/219147325.db2.gz YUXSYXPHUOUBRE-ZIAGYGMSSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330923164 232167408 /nfs/dbraw/zinc/16/74/08/232167408.db2.gz SGBLICMNESKOFL-QWHCGFSZSA-N 1 1 320.393 1.630 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286770069 219158025 /nfs/dbraw/zinc/15/80/25/219158025.db2.gz ZUBHWUABKQBPCV-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279677535 215053591 /nfs/dbraw/zinc/05/35/91/215053591.db2.gz DZPJWMIDIFDAMA-FZMZJTMJSA-N 1 1 321.377 1.819 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287204792 219379255 /nfs/dbraw/zinc/37/92/55/219379255.db2.gz DRULXQAALMMHOK-LBPRGKRZSA-N 1 1 309.366 1.650 20 5 DDBDMO C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000173035846 198179058 /nfs/dbraw/zinc/17/90/58/198179058.db2.gz DCMLURFGFIHLTE-GFCCVEGCSA-N 1 1 320.393 1.630 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491577357 234207081 /nfs/dbraw/zinc/20/70/81/234207081.db2.gz VRKSHLLSOWRYBQ-QZPNVGJNSA-N 1 1 307.325 1.910 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074160859 353296226 /nfs/dbraw/zinc/29/62/26/353296226.db2.gz AQVFYWMBYALQID-ZDUSSCGKSA-N 1 1 320.393 1.778 20 5 DDBDMO CCC[N@H+]1CCCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000074258530 353303494 /nfs/dbraw/zinc/30/34/94/353303494.db2.gz FYGPZDDCDXTSDL-UHFFFAOYSA-N 1 1 320.393 1.877 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170726 353706192 /nfs/dbraw/zinc/70/61/92/353706192.db2.gz FNRXNPQHMWKNTR-UWVGGRQHSA-N 1 1 318.333 1.822 20 5 DDBDMO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000093064735 353884106 /nfs/dbraw/zinc/88/41/06/353884106.db2.gz SUAKRCKROVPJES-ZIAGYGMSSA-N 1 1 304.350 1.079 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343948 353897539 /nfs/dbraw/zinc/89/75/39/353897539.db2.gz XYLPSRHELDHNNT-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093343948 353897542 /nfs/dbraw/zinc/89/75/42/353897542.db2.gz XYLPSRHELDHNNT-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153916583 354201728 /nfs/dbraw/zinc/20/17/28/354201728.db2.gz HQDVEVTYBSZYHE-INIZCTEOSA-N 1 1 319.361 1.954 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153916583 354201731 /nfs/dbraw/zinc/20/17/31/354201731.db2.gz HQDVEVTYBSZYHE-INIZCTEOSA-N 1 1 319.361 1.954 20 5 DDBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000162081211 354245487 /nfs/dbraw/zinc/24/54/87/354245487.db2.gz DNAIMNFYFSZRNM-CYBMUJFWSA-N 1 1 324.381 1.847 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157313026 354224414 /nfs/dbraw/zinc/22/44/14/354224414.db2.gz OOLNTIGGWVKKCX-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157313026 354224419 /nfs/dbraw/zinc/22/44/19/354224419.db2.gz OOLNTIGGWVKKCX-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO COc1cccc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000585781963 354841264 /nfs/dbraw/zinc/84/12/64/354841264.db2.gz GTKLYKWYLNOSMY-QWHCGFSZSA-N 1 1 307.350 1.513 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H](O)C1CC1 ZINC000589198283 354972476 /nfs/dbraw/zinc/97/24/76/354972476.db2.gz YPULFFCSHWALHC-CYBMUJFWSA-N 1 1 308.334 1.569 20 5 DDBDMO Cc1cccc(C(=O)N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000590392539 355083900 /nfs/dbraw/zinc/08/39/00/355083900.db2.gz SEAJARSSIIWYOR-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590442362 355096390 /nfs/dbraw/zinc/09/63/90/355096390.db2.gz FNKLKDCVNYVVSW-YPMHNXCESA-N 1 1 305.334 1.380 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443494 355097276 /nfs/dbraw/zinc/09/72/76/355097276.db2.gz KMXMLCYFLYROCA-ZJUUUORDSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443494 355097280 /nfs/dbraw/zinc/09/72/80/355097280.db2.gz KMXMLCYFLYROCA-ZJUUUORDSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443494 355097283 /nfs/dbraw/zinc/09/72/83/355097283.db2.gz KMXMLCYFLYROCA-ZJUUUORDSA-N 1 1 307.354 1.217 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000332580476 235139550 /nfs/dbraw/zinc/13/95/50/235139550.db2.gz HTPDBWDARYWDLN-ZDUSSCGKSA-N 1 1 318.377 1.622 20 5 DDBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCCC2)O1 ZINC000592193274 355531783 /nfs/dbraw/zinc/53/17/83/355531783.db2.gz LDHSYUWCJLTJSM-ZDUSSCGKSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCCC2)O1 ZINC000592193274 355531786 /nfs/dbraw/zinc/53/17/86/355531786.db2.gz LDHSYUWCJLTJSM-ZDUSSCGKSA-N 1 1 321.377 1.790 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)c1[N+](=O)[O-] ZINC000592332238 355560999 /nfs/dbraw/zinc/56/09/99/355560999.db2.gz IBHYNZFRMRFOPC-NXEZZACHSA-N 1 1 309.370 1.470 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592198750 355534363 /nfs/dbraw/zinc/53/43/63/355534363.db2.gz RUQZTPIGHVQUAO-CABCVRRESA-N 1 1 308.382 1.807 20 5 DDBDMO CC1(O)CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000177329130 198704750 /nfs/dbraw/zinc/70/47/50/198704750.db2.gz DYTRVWZBQOPBBW-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000595033059 356375077 /nfs/dbraw/zinc/37/50/77/356375077.db2.gz AJLZHVHTAXNYFS-NXEZZACHSA-N 1 1 316.379 1.687 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000081527548 192282706 /nfs/dbraw/zinc/28/27/06/192282706.db2.gz TXNAAEADHMYQQJ-MNOVXSKESA-N 1 1 322.365 1.236 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000618214216 363516001 /nfs/dbraw/zinc/51/60/01/363516001.db2.gz RJJADTOZPJXHQX-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771468 356645936 /nfs/dbraw/zinc/64/59/36/356645936.db2.gz PJEUYFDCULYJAL-NJZAAPMLSA-N 1 1 310.350 1.180 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596081381 356766064 /nfs/dbraw/zinc/76/60/64/356766064.db2.gz HJJBZXJHDXABDO-LBPRGKRZSA-N 1 1 323.397 1.381 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596336035 356860352 /nfs/dbraw/zinc/86/03/52/356860352.db2.gz KZGKBECPQAIGHK-LLVKDONJSA-N 1 1 306.366 1.978 20 5 DDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596363616 356864156 /nfs/dbraw/zinc/86/41/56/356864156.db2.gz SWBLQAMFNOTGMI-NSHDSACASA-N 1 1 313.377 1.813 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596363616 356864161 /nfs/dbraw/zinc/86/41/61/356864161.db2.gz SWBLQAMFNOTGMI-NSHDSACASA-N 1 1 313.377 1.813 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597604824 357250962 /nfs/dbraw/zinc/25/09/62/357250962.db2.gz KYDYMKLSRWRAFE-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597604824 357250969 /nfs/dbraw/zinc/25/09/69/357250969.db2.gz KYDYMKLSRWRAFE-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597858786 357361334 /nfs/dbraw/zinc/36/13/34/357361334.db2.gz OZTGKSTVTHGQOB-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO CC(C)[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000347698177 283262030 /nfs/dbraw/zinc/26/20/30/283262030.db2.gz DAZSSPUETINCET-OAHLLOKOSA-N 1 1 323.349 1.451 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598341824 357544254 /nfs/dbraw/zinc/54/42/54/357544254.db2.gz GLCYCXTYRZPEGH-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000598342052 357544271 /nfs/dbraw/zinc/54/42/71/357544271.db2.gz CNGAUUSPDFLLBU-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000598649096 357670286 /nfs/dbraw/zinc/67/02/86/357670286.db2.gz VLVYQGHSLOKOAF-SMDDNHRTSA-N 1 1 322.361 1.832 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650798 357670457 /nfs/dbraw/zinc/67/04/57/357670457.db2.gz OXQNQBOIWBPGGZ-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598650798 357670460 /nfs/dbraw/zinc/67/04/60/357670460.db2.gz OXQNQBOIWBPGGZ-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681360 358022846 /nfs/dbraw/zinc/02/28/46/358022846.db2.gz OEWPBJRJHHOHOT-NORZTCDRSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681360 358022849 /nfs/dbraw/zinc/02/28/49/358022849.db2.gz OEWPBJRJHHOHOT-NORZTCDRSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599744236 358046001 /nfs/dbraw/zinc/04/60/01/358046001.db2.gz QLNISYQNICSVPN-UHFFFAOYSA-N 1 1 301.306 1.080 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600469599 358232384 /nfs/dbraw/zinc/23/23/84/358232384.db2.gz CQUWBUNZCMNDQL-ZDUSSCGKSA-N 1 1 321.381 1.315 20 5 DDBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC(=O)N1C ZINC000601162755 358428778 /nfs/dbraw/zinc/42/87/78/358428778.db2.gz WMBJDGMKSDZAOJ-SNVBAGLBSA-N 1 1 300.318 1.810 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777813 358691257 /nfs/dbraw/zinc/69/12/57/358691257.db2.gz LMZMPZYIYWHGGL-DZGCQCFKSA-N 1 1 307.350 1.013 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000602835138 359226967 /nfs/dbraw/zinc/22/69/67/359226967.db2.gz XVKOMGXTCAAMNZ-JSGCOSHPSA-N 1 1 308.382 1.989 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000602840423 359229655 /nfs/dbraw/zinc/22/96/55/359229655.db2.gz MWBQJCRIZMZUJH-OAHLLOKOSA-N 1 1 318.377 1.635 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000602851685 359239079 /nfs/dbraw/zinc/23/90/79/359239079.db2.gz CAFQMLHOOUUXRD-KGLIPLIRSA-N 1 1 308.382 1.991 20 5 DDBDMO CC(=O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602809152 359205953 /nfs/dbraw/zinc/20/59/53/359205953.db2.gz NMTKMLFGUDLWGY-UHFFFAOYSA-N 1 1 317.349 1.572 20 5 DDBDMO CC(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602809152 359205956 /nfs/dbraw/zinc/20/59/56/359205956.db2.gz NMTKMLFGUDLWGY-UHFFFAOYSA-N 1 1 317.349 1.572 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602819088 359213555 /nfs/dbraw/zinc/21/35/55/359213555.db2.gz APMMWXGHCFVEGH-AWEZNQCLSA-N 1 1 317.349 1.514 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602819088 359213561 /nfs/dbraw/zinc/21/35/61/359213561.db2.gz APMMWXGHCFVEGH-AWEZNQCLSA-N 1 1 317.349 1.514 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882261 359265844 /nfs/dbraw/zinc/26/58/44/359265844.db2.gz UEYJOOPZFWDOIO-CYBMUJFWSA-N 1 1 303.322 1.317 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC000603018050 359360415 /nfs/dbraw/zinc/36/04/15/359360415.db2.gz ZTVUYORFFAJYFP-UHFFFAOYSA-N 1 1 319.340 1.753 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964943 359329179 /nfs/dbraw/zinc/32/91/79/359329179.db2.gz WNRYUACUJOVMMJ-BBRMVZONSA-N 1 1 324.377 1.965 20 5 DDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000602982685 359337741 /nfs/dbraw/zinc/33/77/41/359337741.db2.gz WUAJRYJQQFKXQC-GDBMZVCRSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603089710 359395999 /nfs/dbraw/zinc/39/59/99/359395999.db2.gz SRIRMYCVPHLTPX-NHYWBVRUSA-N 1 1 305.334 1.298 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278143 359732101 /nfs/dbraw/zinc/73/21/01/359732101.db2.gz KGUGSKGNCCMWEQ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278143 359732105 /nfs/dbraw/zinc/73/21/05/359732105.db2.gz KGUGSKGNCCMWEQ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC(C)N1CC[NH+](CCCn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000188307005 200225473 /nfs/dbraw/zinc/22/54/73/200225473.db2.gz OREHBWYYDZOTDK-UHFFFAOYSA-N 1 1 308.382 1.173 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269444 360286062 /nfs/dbraw/zinc/28/60/62/360286062.db2.gz QPVCPWUCNSVRDW-ZDUSSCGKSA-N 1 1 307.350 1.435 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000609594538 360331259 /nfs/dbraw/zinc/33/12/59/360331259.db2.gz GZGJOFGIICAGKP-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448292 360307761 /nfs/dbraw/zinc/30/77/61/360307761.db2.gz HZTXZRVNUVZTTQ-CYBMUJFWSA-N 1 1 307.325 1.948 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)CO ZINC000609926687 360365818 /nfs/dbraw/zinc/36/58/18/360365818.db2.gz SQBDDFPJYQZOIP-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)CO ZINC000609926687 360365824 /nfs/dbraw/zinc/36/58/24/360365824.db2.gz SQBDDFPJYQZOIP-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](CO)C1)OCCO2 ZINC000610930136 360573432 /nfs/dbraw/zinc/57/34/32/360573432.db2.gz BJFYZAQISOXJRM-LLVKDONJSA-N 1 1 308.334 1.570 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](CO)C1)OCCO2 ZINC000610930136 360573438 /nfs/dbraw/zinc/57/34/38/360573438.db2.gz BJFYZAQISOXJRM-LLVKDONJSA-N 1 1 308.334 1.570 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@]3(CCOC3)C1)OCCO2 ZINC000611275641 360687304 /nfs/dbraw/zinc/68/73/04/360687304.db2.gz PMGWRLMSVRSWEQ-MRXNPFEDSA-N 1 1 320.345 1.978 20 5 DDBDMO COc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000271896131 209304983 /nfs/dbraw/zinc/30/49/83/209304983.db2.gz FWGDCZYIWPXJCU-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193407603 201047762 /nfs/dbraw/zinc/04/77/62/201047762.db2.gz WSQAGDWVZYWXJI-SCZZXKLOSA-N 1 1 317.342 1.010 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193824217 201129311 /nfs/dbraw/zinc/12/93/11/201129311.db2.gz QLPHLALNMNUIKD-UHFFFAOYSA-N 1 1 306.366 1.484 20 5 DDBDMO Nc1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000619252029 363945944 /nfs/dbraw/zinc/94/59/44/363945944.db2.gz FEUDVSHJUGYHKW-NEPJUHHUSA-N 1 1 322.340 1.435 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359215274 299359181 /nfs/dbraw/zinc/35/91/81/299359181.db2.gz AZKDMOSIKGGUHY-ZDUSSCGKSA-N 1 1 318.377 1.973 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275318036 212267838 /nfs/dbraw/zinc/26/78/38/212267838.db2.gz DBEZBKQSBIIHDR-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275318036 212267840 /nfs/dbraw/zinc/26/78/40/212267840.db2.gz DBEZBKQSBIIHDR-RYUDHWBXSA-N 1 1 321.377 1.689 20 5 DDBDMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000350290212 284178928 /nfs/dbraw/zinc/17/89/28/284178928.db2.gz UKJSNPDWBKUEHM-OLUVUFQESA-N 1 1 307.325 1.833 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268278942 206604578 /nfs/dbraw/zinc/60/45/78/206604578.db2.gz WUSBWOKCUIEELZ-MFKMUULPSA-N 1 1 321.381 1.089 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)c2c3c(ccc2[N+](=O)[O-])NCC3)[N@@H+](C)C1 ZINC000284527695 218064812 /nfs/dbraw/zinc/06/48/12/218064812.db2.gz KRONLJAVAXMJJF-RYUDHWBXSA-N 1 1 320.393 1.718 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000284699808 218138963 /nfs/dbraw/zinc/13/89/63/218138963.db2.gz IJXQQJVAFCZVEJ-HZPDHXFCSA-N 1 1 305.378 1.808 20 5 DDBDMO Cc1cc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000284825275 218193864 /nfs/dbraw/zinc/19/38/64/218193864.db2.gz OLYUCIGKHNTJMD-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO COc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285209737 218334890 /nfs/dbraw/zinc/33/48/90/218334890.db2.gz WYZSXQOYXVBSFE-ZIAGYGMSSA-N 1 1 307.350 1.513 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000109992417 194303249 /nfs/dbraw/zinc/30/32/49/194303249.db2.gz HDSYLTDERZKPPQ-SECBINFHSA-N 1 1 303.322 1.153 20 5 DDBDMO C[N@@H+]1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109992417 194303252 /nfs/dbraw/zinc/30/32/52/194303252.db2.gz HDSYLTDERZKPPQ-SECBINFHSA-N 1 1 303.322 1.153 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109992417 194303254 /nfs/dbraw/zinc/30/32/54/194303254.db2.gz HDSYLTDERZKPPQ-SECBINFHSA-N 1 1 303.322 1.153 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000110609634 194342655 /nfs/dbraw/zinc/34/26/55/194342655.db2.gz KWJLLDGALFWUMG-GFCCVEGCSA-N 1 1 306.366 1.607 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269104757 207243600 /nfs/dbraw/zinc/24/36/00/207243600.db2.gz BLXKJRCGHSHNLZ-VXGBXAGGSA-N 1 1 321.381 1.193 20 5 DDBDMO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269163147 207285569 /nfs/dbraw/zinc/28/55/69/207285569.db2.gz ZBYGOGXTKQAKOH-NSHDSACASA-N 1 1 307.350 1.905 20 5 DDBDMO COc1cc(C[N@H+]2CCCC[C@H]2CC(N)=O)ccc1[N+](=O)[O-] ZINC000352407569 285030142 /nfs/dbraw/zinc/03/01/42/285030142.db2.gz VLFYHSXPEXHJNC-LBPRGKRZSA-N 1 1 307.350 1.833 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000120094124 195096323 /nfs/dbraw/zinc/09/63/23/195096323.db2.gz QSDZZTZEPBGZMN-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000120094124 195096326 /nfs/dbraw/zinc/09/63/26/195096326.db2.gz QSDZZTZEPBGZMN-LBPRGKRZSA-N 1 1 307.350 1.546 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155468373 197057616 /nfs/dbraw/zinc/05/76/16/197057616.db2.gz ITJSXGXXTVQNPJ-BETUJISGSA-N 1 1 321.377 1.915 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000121056626 195288975 /nfs/dbraw/zinc/28/89/75/195288975.db2.gz CYWCVXRBMAGIBZ-WCQYABFASA-N 1 1 323.397 1.288 20 5 DDBDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451576902 533411619 /nfs/dbraw/zinc/41/16/19/533411619.db2.gz VCDXAVXYBVYCHT-BXUZGUMPSA-N 1 1 307.350 1.890 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451576902 533411623 /nfs/dbraw/zinc/41/16/23/533411623.db2.gz VCDXAVXYBVYCHT-BXUZGUMPSA-N 1 1 307.350 1.890 20 5 DDBDMO COC(=O)CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000074321308 406908001 /nfs/dbraw/zinc/90/80/01/406908001.db2.gz SSARNBSGBFNPJD-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO COC(=O)CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000074321308 406908005 /nfs/dbraw/zinc/90/80/05/406908005.db2.gz SSARNBSGBFNPJD-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000045851954 407049863 /nfs/dbraw/zinc/04/98/63/407049863.db2.gz CMFBKZHZJSNQHI-AWEZNQCLSA-N 1 1 307.398 1.674 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052556126 407152682 /nfs/dbraw/zinc/15/26/82/407152682.db2.gz HOLXGRGRZUYEFY-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO CCN(CC)C(=O)C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208998 407240728 /nfs/dbraw/zinc/24/07/28/407240728.db2.gz QRZGYIIWDDZSQT-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO CCN(CC)C(=O)C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208998 407240730 /nfs/dbraw/zinc/24/07/30/407240730.db2.gz QRZGYIIWDDZSQT-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000106919702 407366912 /nfs/dbraw/zinc/36/69/12/407366912.db2.gz NZRYZTRRNRLLFA-SNVBAGLBSA-N 1 1 320.349 1.442 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000107043094 407368426 /nfs/dbraw/zinc/36/84/26/407368426.db2.gz OUKSESGIEFHOKF-GFCCVEGCSA-N 1 1 309.366 1.933 20 5 DDBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1CCOC ZINC000271006143 407465059 /nfs/dbraw/zinc/46/50/59/407465059.db2.gz YACOKLAJNPOHPH-LBPRGKRZSA-N 1 1 324.381 1.496 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000127556650 407440510 /nfs/dbraw/zinc/44/05/10/407440510.db2.gz VCYGLGCKSWBMJE-ZDUSSCGKSA-N 1 1 306.366 1.457 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000127574294 407442936 /nfs/dbraw/zinc/44/29/36/407442936.db2.gz HOTGFEGXIAZZMS-MWLCHTKSSA-N 1 1 324.356 1.871 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170791763 407508743 /nfs/dbraw/zinc/50/87/43/407508743.db2.gz JXGVUAVCMHKBDG-UHFFFAOYSA-N 1 1 319.321 1.213 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000170791763 407508748 /nfs/dbraw/zinc/50/87/48/407508748.db2.gz JXGVUAVCMHKBDG-UHFFFAOYSA-N 1 1 319.321 1.213 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000266528361 407546488 /nfs/dbraw/zinc/54/64/88/407546488.db2.gz LCKZXHWNLNPITC-GDBMZVCRSA-N 1 1 316.361 1.642 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171200834 407628294 /nfs/dbraw/zinc/62/82/94/407628294.db2.gz SOQNTCRHCLMWFC-UHFFFAOYSA-N 1 1 324.381 1.015 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152429367 407632730 /nfs/dbraw/zinc/63/27/30/407632730.db2.gz WKSFXKXJSOPYFA-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271334515 407640799 /nfs/dbraw/zinc/64/07/99/407640799.db2.gz MGQPCKJPHHNWGU-UHFFFAOYSA-N 1 1 302.334 1.938 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132784690 407805123 /nfs/dbraw/zinc/80/51/23/407805123.db2.gz YOWZCMSTPLVMMY-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118114593 407894971 /nfs/dbraw/zinc/89/49/71/407894971.db2.gz KENBRXLOWNFJCZ-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000268280899 407982775 /nfs/dbraw/zinc/98/27/75/407982775.db2.gz YCHCOGQEUNRQAL-LLVKDONJSA-N 1 1 309.370 1.334 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000189475602 408028148 /nfs/dbraw/zinc/02/81/48/408028148.db2.gz NJZPVJZVOMHDMW-UHFFFAOYSA-N 1 1 321.377 1.366 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182116276 408073470 /nfs/dbraw/zinc/07/34/70/408073470.db2.gz BMDZQYWIMBULOX-CYBMUJFWSA-N 1 1 321.377 1.664 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190112752 408168259 /nfs/dbraw/zinc/16/82/59/408168259.db2.gz IIKUBCRXERDDMB-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190112752 408168266 /nfs/dbraw/zinc/16/82/66/408168266.db2.gz IIKUBCRXERDDMB-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190425360 408242628 /nfs/dbraw/zinc/24/26/28/408242628.db2.gz YYGXMRRHQPYISJ-MBNYWOFBSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000183082216 408322751 /nfs/dbraw/zinc/32/27/51/408322751.db2.gz JFRZUXAAKHHOBU-INIZCTEOSA-N 1 1 315.377 1.780 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246483871 408270286 /nfs/dbraw/zinc/27/02/86/408270286.db2.gz QBSBOWGDUCLFAG-DOMZBBRYSA-N 1 1 321.377 1.801 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246483871 408270292 /nfs/dbraw/zinc/27/02/92/408270292.db2.gz QBSBOWGDUCLFAG-DOMZBBRYSA-N 1 1 321.377 1.801 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269330261 408271104 /nfs/dbraw/zinc/27/11/04/408271104.db2.gz FDVMAKAWNRDTRE-SNVBAGLBSA-N 1 1 309.370 1.465 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000246760628 408333103 /nfs/dbraw/zinc/33/31/03/408333103.db2.gz OVGNKEVTBYGJGD-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000246760628 408333109 /nfs/dbraw/zinc/33/31/09/408333109.db2.gz OVGNKEVTBYGJGD-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196567 408349579 /nfs/dbraw/zinc/34/95/79/408349579.db2.gz QYLOCRBARMMPDC-QJPTWQEYSA-N 1 1 307.350 1.625 20 5 DDBDMO NC(=O)c1ccc(CN2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172346349 162271164 /nfs/dbraw/zinc/27/11/64/162271164.db2.gz WCLFMTSGCFFIJU-UHFFFAOYSA-N 1 1 318.377 1.364 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662240 408383247 /nfs/dbraw/zinc/38/32/47/408383247.db2.gz QVMSHLBTGJHWHW-HUUCEWRRSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662240 408383249 /nfs/dbraw/zinc/38/32/49/408383249.db2.gz QVMSHLBTGJHWHW-HUUCEWRRSA-N 1 1 319.361 1.371 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080513 408403825 /nfs/dbraw/zinc/40/38/25/408403825.db2.gz HAKDHCBKAAFMLC-OLZOCXBDSA-N 1 1 307.394 1.790 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274540231 408443734 /nfs/dbraw/zinc/44/37/34/408443734.db2.gz VXCFHNKNKYESMX-LLVKDONJSA-N 1 1 323.397 1.873 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270360964 408503172 /nfs/dbraw/zinc/50/31/72/408503172.db2.gz RMPJKVSNIHWCBE-UHFFFAOYSA-N 1 1 317.349 1.642 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270387245 408513770 /nfs/dbraw/zinc/51/37/70/408513770.db2.gz RJHLFQJIERXJRQ-CQSZACIVSA-N 1 1 308.382 1.830 20 5 DDBDMO COc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177093987 408517327 /nfs/dbraw/zinc/51/73/27/408517327.db2.gz IWCMWSZXSGEZSB-PWSUYJOCSA-N 1 1 319.361 1.958 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192660956 408627815 /nfs/dbraw/zinc/62/78/15/408627815.db2.gz VDCMCLVLVQQJEK-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000270909556 408736326 /nfs/dbraw/zinc/73/63/26/408736326.db2.gz LJRHOJRAIHEISG-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000270909556 408736329 /nfs/dbraw/zinc/73/63/29/408736329.db2.gz LJRHOJRAIHEISG-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1O ZINC000249555505 408741596 /nfs/dbraw/zinc/74/15/96/408741596.db2.gz JOIWIKXANJMOSS-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1O ZINC000249555505 408741601 /nfs/dbraw/zinc/74/16/01/408741601.db2.gz JOIWIKXANJMOSS-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249582261 408745316 /nfs/dbraw/zinc/74/53/16/408745316.db2.gz ROXWVCJZHQSACB-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276553288 408881959 /nfs/dbraw/zinc/88/19/59/408881959.db2.gz KODXESWOJLJMHU-LLVKDONJSA-N 1 1 308.338 1.671 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280795054 408835916 /nfs/dbraw/zinc/83/59/16/408835916.db2.gz RLWJNBRSEQYRJB-ZUZCIYMTSA-N 1 1 320.349 1.119 20 5 DDBDMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000285826300 408871397 /nfs/dbraw/zinc/87/13/97/408871397.db2.gz PDGPJDBCRMDJGP-NXEZZACHSA-N 1 1 311.363 1.201 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000285826300 408871400 /nfs/dbraw/zinc/87/14/00/408871400.db2.gz PDGPJDBCRMDJGP-NXEZZACHSA-N 1 1 311.363 1.201 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287304869 409016721 /nfs/dbraw/zinc/01/67/21/409016721.db2.gz LOEOOZAHOHWQPG-VIFPVBQESA-N 1 1 322.394 1.257 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000293108281 409051975 /nfs/dbraw/zinc/05/19/75/409051975.db2.gz LMXOEIYLTPMOSU-HNNXBMFYSA-N 1 1 321.377 1.941 20 5 DDBDMO Cc1nc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278867078 409103774 /nfs/dbraw/zinc/10/37/74/409103774.db2.gz NIMOPJVDCDQVPH-TXEJJXNPSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1nc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278867078 409103777 /nfs/dbraw/zinc/10/37/77/409103777.db2.gz NIMOPJVDCDQVPH-TXEJJXNPSA-N 1 1 308.382 1.844 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865950 409196831 /nfs/dbraw/zinc/19/68/31/409196831.db2.gz KWXPAOAENCECMZ-CQSZACIVSA-N 1 1 307.354 1.048 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865950 409196833 /nfs/dbraw/zinc/19/68/33/409196833.db2.gz KWXPAOAENCECMZ-CQSZACIVSA-N 1 1 307.354 1.048 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293865950 409196835 /nfs/dbraw/zinc/19/68/35/409196835.db2.gz KWXPAOAENCECMZ-CQSZACIVSA-N 1 1 307.354 1.048 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283428222 409154737 /nfs/dbraw/zinc/15/47/37/409154737.db2.gz IZXYEVKKLOPBLH-SECBINFHSA-N 1 1 310.329 1.530 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293872857 409198325 /nfs/dbraw/zinc/19/83/25/409198325.db2.gz VACFQQYKYWAMPZ-QWHCGFSZSA-N 1 1 321.425 1.464 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293872851 409198385 /nfs/dbraw/zinc/19/83/85/409198385.db2.gz VACFQQYKYWAMPZ-CHWSQXEVSA-N 1 1 321.425 1.464 20 5 DDBDMO O=c1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289452636 409275358 /nfs/dbraw/zinc/27/53/58/409275358.db2.gz PFGXZJDBPWYVIA-LLVKDONJSA-N 1 1 303.322 1.386 20 5 DDBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000280364229 409299415 /nfs/dbraw/zinc/29/94/15/409299415.db2.gz YIZRKDNTIKWQHQ-UHFFFAOYSA-N 1 1 318.377 1.775 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000294908300 409306514 /nfs/dbraw/zinc/30/65/14/409306514.db2.gz SCBNOVICCTYEFS-SNVBAGLBSA-N 1 1 324.356 1.624 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280537990 409346842 /nfs/dbraw/zinc/34/68/42/409346842.db2.gz PLMLNRRPYFNXOW-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280537990 409346851 /nfs/dbraw/zinc/34/68/51/409346851.db2.gz PLMLNRRPYFNXOW-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280552671 409355901 /nfs/dbraw/zinc/35/59/01/409355901.db2.gz QOLNLTLCHXZCDS-ZDUSSCGKSA-N 1 1 317.349 1.340 20 5 DDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000280715561 409422684 /nfs/dbraw/zinc/42/26/84/409422684.db2.gz JQKDNYUKNWTTLV-LLVKDONJSA-N 1 1 323.349 1.725 20 5 DDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000280715561 409422688 /nfs/dbraw/zinc/42/26/88/409422688.db2.gz JQKDNYUKNWTTLV-LLVKDONJSA-N 1 1 323.349 1.725 20 5 DDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295355970 409448924 /nfs/dbraw/zinc/44/89/24/409448924.db2.gz ZCUKGGOLGHCGTJ-HNNXBMFYSA-N 1 1 309.341 1.931 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317075302 164025165 /nfs/dbraw/zinc/02/51/65/164025165.db2.gz ZCOPUBFPRKJFTO-WDEREUQCSA-N 1 1 304.350 1.534 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198836 164026164 /nfs/dbraw/zinc/02/61/64/164026164.db2.gz NMIWHHPMHQMUFW-COPLHBTASA-N 1 1 305.334 1.236 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198836 164026165 /nfs/dbraw/zinc/02/61/65/164026165.db2.gz NMIWHHPMHQMUFW-COPLHBTASA-N 1 1 305.334 1.236 20 5 DDBDMO CNc1c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000317213091 164026198 /nfs/dbraw/zinc/02/61/98/164026198.db2.gz AXIQEYMEIDAKBQ-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317244584 164027302 /nfs/dbraw/zinc/02/73/02/164027302.db2.gz FJFXXBWDSSVXCA-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295405318 409469339 /nfs/dbraw/zinc/46/93/39/409469339.db2.gz IXZOTRPIHRPHHK-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)CN(C)C ZINC000344855574 409533557 /nfs/dbraw/zinc/53/35/57/409533557.db2.gz GJJFEKCRZUZRGL-OIQJVACTSA-N 1 1 307.394 1.900 20 5 DDBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]1 ZINC000349372597 409813981 /nfs/dbraw/zinc/81/39/81/409813981.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 1 1 305.342 1.097 20 5 DDBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000349372597 409813987 /nfs/dbraw/zinc/81/39/87/409813987.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 1 1 305.342 1.097 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342938708 410013149 /nfs/dbraw/zinc/01/31/49/410013149.db2.gz YLCKWYJLAPFHJZ-WDEREUQCSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000342938708 410013155 /nfs/dbraw/zinc/01/31/55/410013155.db2.gz YLCKWYJLAPFHJZ-WDEREUQCSA-N 1 1 322.365 1.614 20 5 DDBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000332288879 410044016 /nfs/dbraw/zinc/04/40/16/410044016.db2.gz ZCPZTXCUTJCSKE-UHFFFAOYSA-N 1 1 303.366 1.997 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000298716974 410364521 /nfs/dbraw/zinc/36/45/21/410364521.db2.gz JMNZZTCZMJYHQK-JTQLQIEISA-N 1 1 322.317 1.456 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000298716974 410364526 /nfs/dbraw/zinc/36/45/26/410364526.db2.gz JMNZZTCZMJYHQK-JTQLQIEISA-N 1 1 322.317 1.456 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000343415856 410432408 /nfs/dbraw/zinc/43/24/08/410432408.db2.gz LPVLZNPDNXGZJM-NFAWXSAZSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1c(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000358605124 410494675 /nfs/dbraw/zinc/49/46/75/410494675.db2.gz HULYAEWPPNNNLH-CYBMUJFWSA-N 1 1 318.377 1.939 20 5 DDBDMO C[N@H+]1CCC[C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301084451 410652107 /nfs/dbraw/zinc/65/21/07/410652107.db2.gz DFEHSNJDGBXLLG-SNVBAGLBSA-N 1 1 317.349 1.997 20 5 DDBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000330464732 410711856 /nfs/dbraw/zinc/71/18/56/410711856.db2.gz FGJVMEXIJZIKML-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000330464732 410711861 /nfs/dbraw/zinc/71/18/61/410711861.db2.gz FGJVMEXIJZIKML-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCNC1=O ZINC000340217358 410764190 /nfs/dbraw/zinc/76/41/90/410764190.db2.gz BGJAXGRVDNRRMK-CYBMUJFWSA-N 1 1 320.349 1.052 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579885 410794571 /nfs/dbraw/zinc/79/45/71/410794571.db2.gz IIXFFANDUBLSPZ-VXGBXAGGSA-N 1 1 307.350 1.525 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000340205517 410749818 /nfs/dbraw/zinc/74/98/18/410749818.db2.gz YLPRUAYYCKUGKA-GXSJLCMTSA-N 1 1 322.287 1.569 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000330652073 410849193 /nfs/dbraw/zinc/84/91/93/410849193.db2.gz KLMZZELQQXHDAC-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236592 410869822 /nfs/dbraw/zinc/86/98/22/410869822.db2.gz SWFCGUJCGKVMOR-SMDDNHRTSA-N 1 1 307.350 1.667 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344045602 410917532 /nfs/dbraw/zinc/91/75/32/410917532.db2.gz JYIHZNKDDBGRSQ-WHOFXGATSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344045602 410917538 /nfs/dbraw/zinc/91/75/38/410917538.db2.gz JYIHZNKDDBGRSQ-WHOFXGATSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344045600 410918497 /nfs/dbraw/zinc/91/84/97/410918497.db2.gz JYIHZNKDDBGRSQ-LNSITVRQSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344045600 410918503 /nfs/dbraw/zinc/91/85/03/410918503.db2.gz JYIHZNKDDBGRSQ-LNSITVRQSA-N 1 1 319.361 1.544 20 5 DDBDMO Cn1nccc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348372757 410938545 /nfs/dbraw/zinc/93/85/45/410938545.db2.gz OPJHJOMOQTXUEX-CQSZACIVSA-N 1 1 320.349 1.200 20 5 DDBDMO Cn1nccc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348372757 410938549 /nfs/dbraw/zinc/93/85/49/410938549.db2.gz OPJHJOMOQTXUEX-CQSZACIVSA-N 1 1 320.349 1.200 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)o1 ZINC000359974850 410976880 /nfs/dbraw/zinc/97/68/80/410976880.db2.gz PLDGINFVUMTOQM-VXGBXAGGSA-N 1 1 318.329 1.782 20 5 DDBDMO C[C@@H](O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353528657 411049365 /nfs/dbraw/zinc/04/93/65/411049365.db2.gz OLRUYFITWCWUOA-RISCZKNCSA-N 1 1 304.350 1.778 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000191463007 222102321 /nfs/dbraw/zinc/10/23/21/222102321.db2.gz PMDUFURWKMGPSQ-JTQLQIEISA-N 1 1 321.337 1.437 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000191842508 222109371 /nfs/dbraw/zinc/10/93/71/222109371.db2.gz LAXKJRAHLXQQOY-LBPRGKRZSA-N 1 1 323.397 1.519 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)C1 ZINC000293617670 418580480 /nfs/dbraw/zinc/58/04/80/418580480.db2.gz DGTYAOBFRUIMHQ-HNNXBMFYSA-N 1 1 322.340 1.484 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193200129 222146757 /nfs/dbraw/zinc/14/67/57/222146757.db2.gz KPIQLLVZWKTPMG-GFCCVEGCSA-N 1 1 318.377 1.878 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000375037017 418593306 /nfs/dbraw/zinc/59/33/06/418593306.db2.gz HXURXPBZETUEKB-BXUZGUMPSA-N 1 1 318.377 1.652 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342087345 418627138 /nfs/dbraw/zinc/62/71/38/418627138.db2.gz BKNPAXYHAPIARE-UHFFFAOYSA-N 1 1 305.338 1.996 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392285 418633738 /nfs/dbraw/zinc/63/37/38/418633738.db2.gz NNEFQRNJVKMRKE-RYUDHWBXSA-N 1 1 323.397 1.731 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392285 418633740 /nfs/dbraw/zinc/63/37/40/418633740.db2.gz NNEFQRNJVKMRKE-RYUDHWBXSA-N 1 1 323.397 1.731 20 5 DDBDMO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403846 418635270 /nfs/dbraw/zinc/63/52/70/418635270.db2.gz MOIIZZYJZIWZNZ-GXTWGEPZSA-N 1 1 321.381 1.438 20 5 DDBDMO CC(C)N1CC[C@@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000375403846 418635272 /nfs/dbraw/zinc/63/52/72/418635272.db2.gz MOIIZZYJZIWZNZ-GXTWGEPZSA-N 1 1 321.381 1.438 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@H+]1CCCOCC1)CCO2 ZINC000361380913 418640016 /nfs/dbraw/zinc/64/00/16/418640016.db2.gz ZCLREBZSNREPMD-UHFFFAOYSA-N 1 1 321.377 1.512 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000367927431 418658999 /nfs/dbraw/zinc/65/89/99/418658999.db2.gz OHCFVTAFYIXWAF-GFCCVEGCSA-N 1 1 321.377 1.690 20 5 DDBDMO COc1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])cc1O ZINC000368087338 418688373 /nfs/dbraw/zinc/68/83/73/418688373.db2.gz ARNXLSWGIZQWHH-SNVBAGLBSA-N 1 1 318.333 1.679 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092757 418787405 /nfs/dbraw/zinc/78/74/05/418787405.db2.gz ZRAIIPQQDYTWGJ-ZJUUUORDSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092757 418787407 /nfs/dbraw/zinc/78/74/07/418787407.db2.gz ZRAIIPQQDYTWGJ-ZJUUUORDSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092757 418787408 /nfs/dbraw/zinc/78/74/08/418787408.db2.gz ZRAIIPQQDYTWGJ-ZJUUUORDSA-N 1 1 309.370 1.606 20 5 DDBDMO COc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422945644 227273944 /nfs/dbraw/zinc/27/39/44/227273944.db2.gz NOEDKENZSZCAOH-KGYLQXTDSA-N 1 1 309.366 1.445 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572346 418877408 /nfs/dbraw/zinc/87/74/08/418877408.db2.gz LEFMFKBVTJFPDQ-BYNQJWBRSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572346 418877410 /nfs/dbraw/zinc/87/74/10/418877410.db2.gz LEFMFKBVTJFPDQ-BYNQJWBRSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572346 418877413 /nfs/dbraw/zinc/87/74/13/418877413.db2.gz LEFMFKBVTJFPDQ-BYNQJWBRSA-N 1 1 323.418 1.912 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930531 419361475 /nfs/dbraw/zinc/36/14/75/419361475.db2.gz CKRPACNPDIIOSE-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930531 419361479 /nfs/dbraw/zinc/36/14/79/419361479.db2.gz CKRPACNPDIIOSE-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411961881 419523675 /nfs/dbraw/zinc/52/36/75/419523675.db2.gz YLYPPLNVIYSGTJ-GFCCVEGCSA-N 1 1 321.377 1.904 20 5 DDBDMO Cc1nn(Cc2cccc(C[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000421221354 419529355 /nfs/dbraw/zinc/52/93/55/419529355.db2.gz YQVALMZNOISAPH-UHFFFAOYSA-N 1 1 316.361 1.980 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000422018758 419808973 /nfs/dbraw/zinc/80/89/73/419808973.db2.gz JMNGYKSFCSONKP-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000430220982 420092598 /nfs/dbraw/zinc/09/25/98/420092598.db2.gz RFRZANMWEFCQRU-ZDUSSCGKSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000430220982 420092600 /nfs/dbraw/zinc/09/26/00/420092600.db2.gz RFRZANMWEFCQRU-ZDUSSCGKSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000425551741 420415095 /nfs/dbraw/zinc/41/50/95/420415095.db2.gz QUIDNAVPNSTFFG-SECBINFHSA-N 1 1 321.312 1.850 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000425551741 420415098 /nfs/dbraw/zinc/41/50/98/420415098.db2.gz QUIDNAVPNSTFFG-SECBINFHSA-N 1 1 321.312 1.850 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc2sccn21 ZINC000450787350 420530944 /nfs/dbraw/zinc/53/09/44/420530944.db2.gz FOWZDNAOVWYBSI-AOOOYVTPSA-N 1 1 323.378 1.579 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450792630 420532440 /nfs/dbraw/zinc/53/24/40/420532440.db2.gz OJEONDCPHFOVPL-TXEJJXNPSA-N 1 1 309.370 1.395 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493046675 420743160 /nfs/dbraw/zinc/74/31/60/420743160.db2.gz KJVNOAOTUOMQJW-YVACAVLKSA-N 1 1 307.325 1.768 20 5 DDBDMO C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894432 420756135 /nfs/dbraw/zinc/75/61/35/420756135.db2.gz YJCZUGXBDWYSHD-XHDPSFHLSA-N 1 1 322.365 1.022 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000445132750 420761529 /nfs/dbraw/zinc/76/15/29/420761529.db2.gz GYHZMFCAICFXRB-ZJUUUORDSA-N 1 1 308.338 1.250 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000454747712 420919053 /nfs/dbraw/zinc/91/90/53/420919053.db2.gz CAXAUMQMJWENAA-ZYHUDNBSSA-N 1 1 319.365 1.388 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000470182975 420932478 /nfs/dbraw/zinc/93/24/78/420932478.db2.gz LHFYVTZGTRSOBY-CWJQNXGWSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000470182975 420932481 /nfs/dbraw/zinc/93/24/81/420932481.db2.gz LHFYVTZGTRSOBY-CWJQNXGWSA-N 1 1 319.361 1.573 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000456169006 421111825 /nfs/dbraw/zinc/11/18/25/421111825.db2.gz PBBMGHRGVFMSJL-OCCSQVGLSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449787387 421084733 /nfs/dbraw/zinc/08/47/33/421084733.db2.gz VEEJEDSCXCOQMY-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489924023 421181117 /nfs/dbraw/zinc/18/11/17/421181117.db2.gz KWFVDIMHRCYMPL-LLVKDONJSA-N 1 1 315.333 1.578 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCC[N@@H+]3CCCO)[nH]c2c1 ZINC000450598816 421215156 /nfs/dbraw/zinc/21/51/56/421215156.db2.gz RLULARZWAJTRGR-GFCCVEGCSA-N 1 1 319.365 1.152 20 5 DDBDMO C[C@]1(CO)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000546102805 421284115 /nfs/dbraw/zinc/28/41/15/421284115.db2.gz MTNGUYTVUCFGDC-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000546102805 421284117 /nfs/dbraw/zinc/28/41/17/421284117.db2.gz MTNGUYTVUCFGDC-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CN1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1=O ZINC000518790859 421667291 /nfs/dbraw/zinc/66/72/91/421667291.db2.gz PJZJBOZVDANUIY-LLVKDONJSA-N 1 1 317.349 1.524 20 5 DDBDMO CN1C[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1=O ZINC000518790859 421667293 /nfs/dbraw/zinc/66/72/93/421667293.db2.gz PJZJBOZVDANUIY-LLVKDONJSA-N 1 1 317.349 1.524 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CCC1=O ZINC000518674175 421662601 /nfs/dbraw/zinc/66/26/01/421662601.db2.gz BPDYIODSOXWSLV-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000557556169 421777134 /nfs/dbraw/zinc/77/71/34/421777134.db2.gz VJOSZJDOWVELRN-CYBMUJFWSA-N 1 1 314.345 1.979 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000582011583 422088680 /nfs/dbraw/zinc/08/86/80/422088680.db2.gz HQHMHGHEEYDFLT-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000582011584 422088833 /nfs/dbraw/zinc/08/88/33/422088833.db2.gz HQHMHGHEEYDFLT-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO [NH3+]CCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000578079089 422491081 /nfs/dbraw/zinc/49/10/81/422491081.db2.gz VSIGFRJBAWIOFZ-UHFFFAOYSA-N 1 1 317.349 1.672 20 5 DDBDMO C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000578958056 422676464 /nfs/dbraw/zinc/67/64/64/422676464.db2.gz NUIHUOHBAKOXLQ-TXEJJXNPSA-N 1 1 306.366 1.829 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125970 /nfs/dbraw/zinc/12/59/70/271125970.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 1 1 322.409 1.561 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342362546 271389777 /nfs/dbraw/zinc/38/97/77/271389777.db2.gz MDBOABJUIFRCJJ-NSHDSACASA-N 1 1 308.338 1.107 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342362546 271389778 /nfs/dbraw/zinc/38/97/78/271389778.db2.gz MDBOABJUIFRCJJ-NSHDSACASA-N 1 1 308.338 1.107 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345933141 272369623 /nfs/dbraw/zinc/36/96/23/272369623.db2.gz AJOUXZLKUHILBL-NEPJUHHUSA-N 1 1 309.370 1.123 20 5 DDBDMO CC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000330830394 273495383 /nfs/dbraw/zinc/49/53/83/273495383.db2.gz JNYINTUVRINJDD-HNNXBMFYSA-N 1 1 307.350 1.057 20 5 DDBDMO COCC[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000153719229 274032067 /nfs/dbraw/zinc/03/20/67/274032067.db2.gz DQYXNGHDYALSGQ-SNVBAGLBSA-N 1 1 314.773 1.800 20 5 DDBDMO COCC[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000153719229 274032069 /nfs/dbraw/zinc/03/20/69/274032069.db2.gz DQYXNGHDYALSGQ-SNVBAGLBSA-N 1 1 314.773 1.800 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCNC1 ZINC000414866945 274206615 /nfs/dbraw/zinc/20/66/15/274206615.db2.gz NMYSGJYNAAXFHI-AAEUAGOBSA-N 1 1 306.366 1.654 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559657 278190606 /nfs/dbraw/zinc/19/06/06/278190606.db2.gz HJIUFEVWOKUZIO-NWDGAFQWSA-N 1 1 308.382 1.784 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000264580157 280362994 /nfs/dbraw/zinc/36/29/94/280362994.db2.gz CBESRBKEPVCGJY-HNNXBMFYSA-N 1 1 324.402 1.789 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000264580157 280362996 /nfs/dbraw/zinc/36/29/96/280362996.db2.gz CBESRBKEPVCGJY-HNNXBMFYSA-N 1 1 324.402 1.789 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358059671 299060258 /nfs/dbraw/zinc/06/02/58/299060258.db2.gz SEDRCFHVRMCBAM-MRXNPFEDSA-N 1 1 321.377 1.055 20 5 DDBDMO COc1ccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000362588269 300102677 /nfs/dbraw/zinc/10/26/77/300102677.db2.gz KHXCRGXFWCFQNU-PWSUYJOCSA-N 1 1 307.350 1.417 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000363035998 300201443 /nfs/dbraw/zinc/20/14/43/300201443.db2.gz ZKLLEKZKCSPLCZ-UHFFFAOYSA-N 1 1 321.381 1.187 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C1CCN(C)CC1 ZINC000364383748 300387390 /nfs/dbraw/zinc/38/73/90/300387390.db2.gz MPXBDTZNEXJFFM-CYBMUJFWSA-N 1 1 319.409 1.595 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C1CCN(C)CC1 ZINC000364383748 300387391 /nfs/dbraw/zinc/38/73/91/300387391.db2.gz MPXBDTZNEXJFFM-CYBMUJFWSA-N 1 1 319.409 1.595 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435563 300397016 /nfs/dbraw/zinc/39/70/16/300397016.db2.gz SPKBFIKBSMPKSJ-ZWNOBZJWSA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364435563 300397018 /nfs/dbraw/zinc/39/70/18/300397018.db2.gz SPKBFIKBSMPKSJ-ZWNOBZJWSA-N 1 1 305.334 1.379 20 5 DDBDMO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973690 301114673 /nfs/dbraw/zinc/11/46/73/301114673.db2.gz KZIZBVIZJKFZQW-GUTXKFCHSA-N 1 1 303.362 1.989 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973690 301114675 /nfs/dbraw/zinc/11/46/75/301114675.db2.gz KZIZBVIZJKFZQW-GUTXKFCHSA-N 1 1 303.362 1.989 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)o2)c1 ZINC000370385925 301328240 /nfs/dbraw/zinc/32/82/40/301328240.db2.gz HLDKAWJFYPQMRQ-ZIAGYGMSSA-N 1 1 318.329 1.782 20 5 DDBDMO CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1c1ccccc1Cl ZINC000377123230 302145782 /nfs/dbraw/zinc/14/57/82/302145782.db2.gz OPKBEFNHOBRNLD-XBFCOCLRSA-N 1 1 323.780 1.820 20 5 DDBDMO COc1c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000356544305 306855162 /nfs/dbraw/zinc/85/51/62/306855162.db2.gz QTUVKWIBOCUSFL-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000519632142 302845868 /nfs/dbraw/zinc/84/58/68/302845868.db2.gz QCIUVXPRQHJZIN-LBPRGKRZSA-N 1 1 321.377 1.849 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000531054928 303227494 /nfs/dbraw/zinc/22/74/94/303227494.db2.gz LXFFABSSLDKSPZ-BETUJISGSA-N 1 1 321.377 1.963 20 5 DDBDMO CN(C(=O)C[NH+]1CCC(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000532552817 303290137 /nfs/dbraw/zinc/29/01/37/303290137.db2.gz LWPHLGSAIIAESY-UHFFFAOYSA-N 1 1 321.377 1.652 20 5 DDBDMO Cn1c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000535282493 303345341 /nfs/dbraw/zinc/34/53/41/303345341.db2.gz ZANVWTRUTSBCJV-ZDUSSCGKSA-N 1 1 314.345 1.850 20 5 DDBDMO Cn1c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000535282493 303345342 /nfs/dbraw/zinc/34/53/42/303345342.db2.gz ZANVWTRUTSBCJV-ZDUSSCGKSA-N 1 1 314.345 1.850 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000559390349 303791028 /nfs/dbraw/zinc/79/10/28/303791028.db2.gz SLCXCTWOLYOSIY-STQMWFEESA-N 1 1 321.377 1.223 20 5 DDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929739 307112976 /nfs/dbraw/zinc/11/29/76/307112976.db2.gz IUUBTYVEHXKFDL-UONOGXRCSA-N 1 1 304.350 1.174 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC23CCCCC3)c1 ZINC000371164668 307143877 /nfs/dbraw/zinc/14/38/77/307143877.db2.gz JPUHGQYMJSMEKA-CQSZACIVSA-N 1 1 308.382 1.951 20 5 DDBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000372087787 307162995 /nfs/dbraw/zinc/16/29/95/307162995.db2.gz GSTZMEXQAHWQNY-GFCCVEGCSA-N 1 1 321.377 1.942 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373938063 307198144 /nfs/dbraw/zinc/19/81/44/307198144.db2.gz MJVAOBUTAYURIQ-NEPJUHHUSA-N 1 1 304.350 1.655 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000375270748 307220005 /nfs/dbraw/zinc/22/00/05/307220005.db2.gz VSNQKELPBSFYLM-KFWWJZLASA-N 1 1 318.377 1.218 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1c[nH+]c2n1CCCC2 ZINC000375545386 307227496 /nfs/dbraw/zinc/22/74/96/307227496.db2.gz ZBAXTJZOVBKWIF-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000376302054 307242602 /nfs/dbraw/zinc/24/26/02/307242602.db2.gz IRXPMUXPNTYBDN-ZDUSSCGKSA-N 1 1 313.379 1.027 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000376302054 307242603 /nfs/dbraw/zinc/24/26/03/307242603.db2.gz IRXPMUXPNTYBDN-ZDUSSCGKSA-N 1 1 313.379 1.027 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000377645086 307275379 /nfs/dbraw/zinc/27/53/79/307275379.db2.gz BNGGDEYZRINVDP-DZGCQCFKSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377645086 307275380 /nfs/dbraw/zinc/27/53/80/307275380.db2.gz BNGGDEYZRINVDP-DZGCQCFKSA-N 1 1 315.377 1.863 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488374 307289337 /nfs/dbraw/zinc/28/93/37/307289337.db2.gz AUPCEZWOSJWTOI-HNKHHVNMSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488374 307289338 /nfs/dbraw/zinc/28/93/38/307289338.db2.gz AUPCEZWOSJWTOI-HNKHHVNMSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488374 307289339 /nfs/dbraw/zinc/28/93/39/307289339.db2.gz AUPCEZWOSJWTOI-HNKHHVNMSA-N 1 1 317.389 1.678 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000571263528 308192926 /nfs/dbraw/zinc/19/29/26/308192926.db2.gz FLZDGTPQOAMEIC-ZWNOBZJWSA-N 1 1 319.365 1.407 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571870729 308205074 /nfs/dbraw/zinc/20/50/74/308205074.db2.gz QATPCYWYRRBUBY-SNVBAGLBSA-N 1 1 304.350 1.590 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000575981224 308284201 /nfs/dbraw/zinc/28/42/01/308284201.db2.gz BWHYDSUZAGKNHD-SECBINFHSA-N 1 1 302.352 1.126 20 5 DDBDMO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000576237736 308300045 /nfs/dbraw/zinc/30/00/45/308300045.db2.gz HSCBASCSIBYUQR-VXGBXAGGSA-N 1 1 318.333 1.894 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000576686346 308331851 /nfs/dbraw/zinc/33/18/51/308331851.db2.gz KZOPGTSBJZXLKC-GXSJLCMTSA-N 1 1 307.354 1.024 20 5 DDBDMO Cc1ocnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576749821 308336744 /nfs/dbraw/zinc/33/67/44/308336744.db2.gz XXEMJBUCBYVMCJ-LLVKDONJSA-N 1 1 307.306 1.421 20 5 DDBDMO C[C@H]1COCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928302 534023593 /nfs/dbraw/zinc/02/35/93/534023593.db2.gz DCCVQIMWZFLELA-CHWSQXEVSA-N 1 1 310.350 1.303 20 5 DDBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000459551858 534081493 /nfs/dbraw/zinc/08/14/93/534081493.db2.gz TWWXYSUCHGWDRR-UHFFFAOYSA-N 1 1 324.381 1.472 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000305816455 534338884 /nfs/dbraw/zinc/33/88/84/534338884.db2.gz AFEQTHIZEVAROK-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000305816455 534338890 /nfs/dbraw/zinc/33/88/90/534338890.db2.gz AFEQTHIZEVAROK-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(=O)[C@](C)(O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000330869346 527154870 /nfs/dbraw/zinc/15/48/70/527154870.db2.gz SWYAKCFGBSYPRY-OAHLLOKOSA-N 1 1 307.350 1.057 20 5 DDBDMO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000158397320 527209047 /nfs/dbraw/zinc/20/90/47/527209047.db2.gz AHWGPOIKBLMUSP-CABZTGNLSA-N 1 1 317.349 1.718 20 5 DDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557083 528094418 /nfs/dbraw/zinc/09/44/18/528094418.db2.gz KZOZTBGXWAXMJB-CZUORRHYSA-N 1 1 308.378 1.893 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557083 528094420 /nfs/dbraw/zinc/09/44/20/528094420.db2.gz KZOZTBGXWAXMJB-CZUORRHYSA-N 1 1 308.378 1.893 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000823635020 599429649 /nfs/dbraw/zinc/42/96/49/599429649.db2.gz PTZJMUIJHXDLMC-UHFFFAOYSA-N 1 1 314.305 1.700 20 5 DDBDMO CCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000069062431 696379978 /nfs/dbraw/zinc/37/99/78/696379978.db2.gz RMMZKAFAFWPNNB-HNNXBMFYSA-N 1 1 320.349 1.661 20 5 DDBDMO CCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000069062431 696379981 /nfs/dbraw/zinc/37/99/81/696379981.db2.gz RMMZKAFAFWPNNB-HNNXBMFYSA-N 1 1 320.349 1.661 20 5 DDBDMO CO[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000076266130 696427877 /nfs/dbraw/zinc/42/78/77/696427877.db2.gz SVPXZHLDSJJUMN-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000076266130 696427878 /nfs/dbraw/zinc/42/78/78/696427878.db2.gz SVPXZHLDSJJUMN-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1nn(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000129289633 696787591 /nfs/dbraw/zinc/78/75/91/696787591.db2.gz UDZUMXOGBZWUGH-KGLIPLIRSA-N 1 1 307.398 1.782 20 5 DDBDMO CCC(=O)N1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985189298 697464813 /nfs/dbraw/zinc/46/48/13/697464813.db2.gz KRMZRNBUOKWGME-UHFFFAOYSA-N 1 1 309.370 1.161 20 5 DDBDMO CCC(=O)N1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985189298 697464814 /nfs/dbraw/zinc/46/48/14/697464814.db2.gz KRMZRNBUOKWGME-UHFFFAOYSA-N 1 1 309.370 1.161 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588829 698123144 /nfs/dbraw/zinc/12/31/44/698123144.db2.gz CFHPUYIXBYEGLS-XJKSGUPXSA-N 1 1 307.394 1.902 20 5 DDBDMO O=C1NCC2(CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)O1 ZINC000782004649 698672786 /nfs/dbraw/zinc/67/27/86/698672786.db2.gz PGMITWJILQODEY-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712532596 699263775 /nfs/dbraw/zinc/26/37/75/699263775.db2.gz XKRJDHJUGJUNJY-QMMMGPOBSA-N 1 1 301.144 1.868 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712532596 699263776 /nfs/dbraw/zinc/26/37/76/699263776.db2.gz XKRJDHJUGJUNJY-QMMMGPOBSA-N 1 1 301.144 1.868 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000729919534 699491755 /nfs/dbraw/zinc/49/17/55/699491755.db2.gz QEZYITLJKZKBFX-NSHDSACASA-N 1 1 306.366 1.485 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000742241716 699869601 /nfs/dbraw/zinc/86/96/01/699869601.db2.gz RIGUFKQWKAXFBW-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO O=C(CC[NH+]1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000751314724 700279633 /nfs/dbraw/zinc/27/96/33/700279633.db2.gz FFJUCAWMRWKUCN-UHFFFAOYSA-N 1 1 305.334 1.206 20 5 DDBDMO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000761076784 700840068 /nfs/dbraw/zinc/84/00/68/700840068.db2.gz JQYYWKMFXYAWME-LBPRGKRZSA-N 1 1 318.377 1.120 20 5 DDBDMO CC(=O)c1cc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000804501861 701196497 /nfs/dbraw/zinc/19/64/97/701196497.db2.gz FXDYVEFZCGAKHU-UHFFFAOYSA-N 1 1 321.377 1.692 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000769145158 701234252 /nfs/dbraw/zinc/23/42/52/701234252.db2.gz MHXOFCYHURQUEJ-NWDGAFQWSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000769145158 701234254 /nfs/dbraw/zinc/23/42/54/701234254.db2.gz MHXOFCYHURQUEJ-NWDGAFQWSA-N 1 1 320.393 1.825 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839671029 701775749 /nfs/dbraw/zinc/77/57/49/701775749.db2.gz XXRQWNAXSOWXOL-ZFWWWQNUSA-N 1 1 321.377 1.617 20 5 DDBDMO CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000867970197 701862488 /nfs/dbraw/zinc/86/24/88/701862488.db2.gz XLXMFFWTIXRHSW-GXTWGEPZSA-N 1 1 309.391 1.733 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@H]2COC[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867985418 701874156 /nfs/dbraw/zinc/87/41/56/701874156.db2.gz CPQVMESUOFVANX-VBNZEHGJSA-N 1 1 319.361 1.264 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868160300 701970453 /nfs/dbraw/zinc/97/04/53/701970453.db2.gz DUDFEYCUOQJVJH-UKRRQHHQSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866206838 706648585 /nfs/dbraw/zinc/64/85/85/706648585.db2.gz GDWRGYANPJTHCS-JQWIXIFHSA-N 1 1 304.350 1.224 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000842625489 702745105 /nfs/dbraw/zinc/74/51/05/702745105.db2.gz LVAHJVOWFJKYNH-HNNXBMFYSA-N 1 1 304.350 1.897 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000842625489 702745106 /nfs/dbraw/zinc/74/51/06/702745106.db2.gz LVAHJVOWFJKYNH-HNNXBMFYSA-N 1 1 304.350 1.897 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577504 706724803 /nfs/dbraw/zinc/72/48/03/706724803.db2.gz JRKSOZRIZFNERO-FVQBIDKESA-N 1 1 305.378 1.654 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845483000 703162839 /nfs/dbraw/zinc/16/28/39/703162839.db2.gz LUFDYIOJIROUFJ-SECBINFHSA-N 1 1 317.748 1.890 20 5 DDBDMO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000845517484 703167132 /nfs/dbraw/zinc/16/71/32/703167132.db2.gz ARJOMKOHTKFFTA-VIFPVBQESA-N 1 1 317.748 1.890 20 5 DDBDMO C[C@H]1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000845517484 703167134 /nfs/dbraw/zinc/16/71/34/703167134.db2.gz ARJOMKOHTKFFTA-VIFPVBQESA-N 1 1 317.748 1.890 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846291127 703262629 /nfs/dbraw/zinc/26/26/29/703262629.db2.gz IWJYXGJLJTXSFP-UHFFFAOYSA-N 1 1 308.382 1.885 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848350710 703541714 /nfs/dbraw/zinc/54/17/14/703541714.db2.gz SJYDPIRJNICHTI-ZIAGYGMSSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@@H]1C[C@H]1C(N)=[NH+]O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000848518518 703560238 /nfs/dbraw/zinc/56/02/38/703560238.db2.gz KRVCARVVVUYWBQ-OASPWFOLSA-N 1 1 318.333 1.855 20 5 DDBDMO O=C1NCCO[C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000879717943 706768493 /nfs/dbraw/zinc/76/84/93/706768493.db2.gz IPMYMPSAVXJLSN-HUUCEWRRSA-N 1 1 319.361 1.117 20 5 DDBDMO O=C1NCCO[C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000879717943 706768496 /nfs/dbraw/zinc/76/84/96/706768496.db2.gz IPMYMPSAVXJLSN-HUUCEWRRSA-N 1 1 319.361 1.117 20 5 DDBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819177549 704082117 /nfs/dbraw/zinc/08/21/17/704082117.db2.gz OFNDMLVRVBEVSI-MEBBXXQBSA-N 1 1 304.350 1.881 20 5 DDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCOC1 ZINC000853515398 704256455 /nfs/dbraw/zinc/25/64/55/704256455.db2.gz NQBLZVRCTNZFPY-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCOC1 ZINC000853515398 704256457 /nfs/dbraw/zinc/25/64/57/704256457.db2.gz NQBLZVRCTNZFPY-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000874400441 705040039 /nfs/dbraw/zinc/04/00/39/705040039.db2.gz PCGZAOIIEFMTQZ-GFCCVEGCSA-N 1 1 321.377 1.350 20 5 DDBDMO COc1ccc(COC(=O)Cn2c[nH+]cc2C)cc1[N+](=O)[O-] ZINC000859949304 705051514 /nfs/dbraw/zinc/05/15/14/705051514.db2.gz KUPOMPYJRMMFGJ-UHFFFAOYSA-N 1 1 305.290 1.852 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000859950016 705051972 /nfs/dbraw/zinc/05/19/72/705051972.db2.gz ZBOGRJCCNRZTJD-UHFFFAOYSA-N 1 1 305.290 1.722 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176334 705123320 /nfs/dbraw/zinc/12/33/20/705123320.db2.gz CWPPCGXTUCIRBD-HOTGVXAUSA-N 1 1 321.377 1.619 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823247 705182301 /nfs/dbraw/zinc/18/23/01/705182301.db2.gz GVSKQFHBATWMDZ-ZIAGYGMSSA-N 1 1 321.352 1.972 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000874834923 705191983 /nfs/dbraw/zinc/19/19/83/705191983.db2.gz VSDQGCGDVDSDSB-NEPJUHHUSA-N 1 1 304.350 1.486 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839117 705194955 /nfs/dbraw/zinc/19/49/55/705194955.db2.gz TUIMWCDHTLGSAI-OLZOCXBDSA-N 1 1 318.377 1.794 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874846000 705200616 /nfs/dbraw/zinc/20/06/16/705200616.db2.gz XBZSUSUIASOXQE-HUUCEWRRSA-N 1 1 319.361 1.912 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848712 705202516 /nfs/dbraw/zinc/20/25/16/705202516.db2.gz GMDIGNFSLFCPRD-STQMWFEESA-N 1 1 319.361 1.912 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961262 705345129 /nfs/dbraw/zinc/34/51/29/705345129.db2.gz APTQBVMDRIHROY-UHFFFAOYSA-N 1 1 307.354 1.735 20 5 DDBDMO Nc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000824003223 705353280 /nfs/dbraw/zinc/35/32/80/705353280.db2.gz SYPNBSUMTQFFHB-STQMWFEESA-N 1 1 319.365 1.925 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCC2)cc1OC ZINC000861386114 705453430 /nfs/dbraw/zinc/45/34/30/705453430.db2.gz LJOMETOXTBCPOU-UHFFFAOYSA-N 1 1 324.333 1.865 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137220 705937940 /nfs/dbraw/zinc/93/79/40/705937940.db2.gz VHAHOYQPYMMQOU-KFWWJZLASA-N 1 1 303.362 1.909 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827265999 705963741 /nfs/dbraw/zinc/96/37/41/705963741.db2.gz JKJMPYWRRUFQBX-WCQYABFASA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000827269312 705964772 /nfs/dbraw/zinc/96/47/72/705964772.db2.gz WQWOONNHLACERH-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827302701 705972263 /nfs/dbraw/zinc/97/22/63/705972263.db2.gz XCFPPVGHDJGRLB-YGRLFVJLSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827302701 705972264 /nfs/dbraw/zinc/97/22/64/705972264.db2.gz XCFPPVGHDJGRLB-YGRLFVJLSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374739 705988774 /nfs/dbraw/zinc/98/87/74/705988774.db2.gz PPCLBPGGUZHLBR-KGLIPLIRSA-N 1 1 303.362 1.690 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000863829997 706023073 /nfs/dbraw/zinc/02/30/73/706023073.db2.gz OQKKQSKOXUMNAX-JTQLQIEISA-N 1 1 313.741 1.045 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000863942499 706042380 /nfs/dbraw/zinc/04/23/80/706042380.db2.gz YLDRXHHQYYYJMG-SNVBAGLBSA-N 1 1 313.741 1.045 20 5 DDBDMO O=[N+]([O-])c1c(N[C@@H]2CCC[N@H+](CCCO)C2)nc2ccccn21 ZINC000828461379 706184478 /nfs/dbraw/zinc/18/44/78/706184478.db2.gz VHIYYYYQFSFHEG-GFCCVEGCSA-N 1 1 319.365 1.501 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828505311 706191255 /nfs/dbraw/zinc/19/12/55/706191255.db2.gz MYOHPUFJPWLQFS-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292908 706491405 /nfs/dbraw/zinc/49/14/05/706491405.db2.gz UENYDHHNEJPHFK-PMPSAXMXSA-N 1 1 321.377 1.033 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000865905039 706559174 /nfs/dbraw/zinc/55/91/74/706559174.db2.gz ZWQQWAVYHNKPSP-MNOVXSKESA-N 1 1 306.322 1.891 20 5 DDBDMO CONC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000879926182 706821761 /nfs/dbraw/zinc/82/17/61/706821761.db2.gz NONXRMJMODXMOT-UHFFFAOYSA-N 1 1 311.313 1.624 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138961 706888270 /nfs/dbraw/zinc/88/82/70/706888270.db2.gz JGQOKTFDKRDWDK-JSGCOSHPSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146274 706891890 /nfs/dbraw/zinc/89/18/90/706891890.db2.gz STNSINISOXCPOA-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146274 706891892 /nfs/dbraw/zinc/89/18/92/706891892.db2.gz STNSINISOXCPOA-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425591 706970421 /nfs/dbraw/zinc/97/04/21/706970421.db2.gz GHGPZRGPWFLYBM-WFASDCNBSA-N 1 1 310.350 1.709 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000880613187 707041573 /nfs/dbraw/zinc/04/15/73/707041573.db2.gz NTXCVIFWUWIVKB-AWEZNQCLSA-N 1 1 320.393 1.979 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872271633 707358944 /nfs/dbraw/zinc/35/89/44/707358944.db2.gz TUFFVRFWRTWCJL-STQMWFEESA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872271633 707358948 /nfs/dbraw/zinc/35/89/48/707358948.db2.gz TUFFVRFWRTWCJL-STQMWFEESA-N 1 1 316.304 1.984 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000882958644 707872172 /nfs/dbraw/zinc/87/21/72/707872172.db2.gz GSTDBKOBVRMNFN-ZETCQYMHSA-N 1 1 307.276 1.853 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000883898035 708078847 /nfs/dbraw/zinc/07/88/47/708078847.db2.gz RMXGUMWUSYQJSN-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]34CCOC4)C2)nc1 ZINC000886067098 708691376 /nfs/dbraw/zinc/69/13/76/708691376.db2.gz HFLYJRLAWYNQBR-WOSRLPQWSA-N 1 1 318.377 1.903 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1cccnc1[N+](=O)[O-] ZINC000886177252 708710807 /nfs/dbraw/zinc/71/08/07/708710807.db2.gz YDGJZSYKSSTXKM-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1cccnc1[N+](=O)[O-] ZINC000886177252 708710808 /nfs/dbraw/zinc/71/08/08/708710808.db2.gz YDGJZSYKSSTXKM-UHFFFAOYSA-N 1 1 308.382 1.532 20 5 DDBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CCO ZINC000899737207 709183636 /nfs/dbraw/zinc/18/36/36/709183636.db2.gz DDWPZFBTVZJZLT-CQSZACIVSA-N 1 1 323.393 1.204 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000912811836 713098419 /nfs/dbraw/zinc/09/84/19/713098419.db2.gz ORXQGARZATYAPZ-ZYHUDNBSSA-N 1 1 323.397 1.819 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890068706 709729826 /nfs/dbraw/zinc/72/98/26/709729826.db2.gz CFSLWEQWNDBPJL-CQSZACIVSA-N 1 1 321.377 1.476 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928093322 713127355 /nfs/dbraw/zinc/12/73/55/713127355.db2.gz BWEZXWBDDKIEJL-CMPLNLGQSA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928093322 713127358 /nfs/dbraw/zinc/12/73/58/713127358.db2.gz BWEZXWBDDKIEJL-CMPLNLGQSA-N 1 1 324.406 1.243 20 5 DDBDMO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900807974 709769431 /nfs/dbraw/zinc/76/94/31/709769431.db2.gz XMSLQNVDPQEXSA-ZWNOBZJWSA-N 1 1 324.356 1.098 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892418108 710434040 /nfs/dbraw/zinc/43/40/40/710434040.db2.gz MZQJGZPLMNSOFH-LBPRGKRZSA-N 1 1 306.366 1.878 20 5 DDBDMO COC(=O)c1sccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134298 710559944 /nfs/dbraw/zinc/55/99/44/710559944.db2.gz HZJSPVPSWIIWLM-UHFFFAOYSA-N 1 1 310.335 1.429 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452783 713203800 /nfs/dbraw/zinc/20/38/00/713203800.db2.gz JKDBAAREQHFQDM-MFKMUULPSA-N 1 1 309.391 1.896 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C ZINC000912024944 711128753 /nfs/dbraw/zinc/12/87/53/711128753.db2.gz XRCVWIFMDCSPAJ-AOOOYVTPSA-N 1 1 324.356 1.871 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2Cc3c[nH+]cn3C2)s1 ZINC000894996775 711356519 /nfs/dbraw/zinc/35/65/19/711356519.db2.gz QBDGEERUUOCUEB-SSDOTTSWSA-N 1 1 302.319 1.833 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000895102738 711413082 /nfs/dbraw/zinc/41/30/82/711413082.db2.gz ZEZMIBSIAGKTSM-CYBMUJFWSA-N 1 1 311.769 1.499 20 5 DDBDMO Cc1nn(C)c(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895571571 711546119 /nfs/dbraw/zinc/54/61/19/711546119.db2.gz JALQWJJEPPBSMG-GHMZBOCLSA-N 1 1 311.411 1.628 20 5 DDBDMO Cc1nn(C)c(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895571571 711546121 /nfs/dbraw/zinc/54/61/21/711546121.db2.gz JALQWJJEPPBSMG-GHMZBOCLSA-N 1 1 311.411 1.628 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CS(=O)(=O)C1(C)C ZINC000895986655 711661037 /nfs/dbraw/zinc/66/10/37/711661037.db2.gz WEHAZGURWVOUIV-ZDUSSCGKSA-N 1 1 312.391 1.877 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C/C=C/Cl)cc1 ZINC000905704587 712125490 /nfs/dbraw/zinc/12/54/90/712125490.db2.gz ANYVVJCXQOPBAX-LZCJLJQNSA-N 1 1 304.755 1.711 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000907805540 712629063 /nfs/dbraw/zinc/62/90/63/712629063.db2.gz UHBPLLKSAAWFKG-AOOOYVTPSA-N 1 1 324.768 1.464 20 5 DDBDMO CC[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915280112 713415402 /nfs/dbraw/zinc/41/54/02/713415402.db2.gz GNNKYOBJHZVBNA-UHFFFAOYSA-N 1 1 317.349 1.109 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000930544327 713862845 /nfs/dbraw/zinc/86/28/45/713862845.db2.gz FZPHLQURULSURK-RYUDHWBXSA-N 1 1 323.397 1.336 20 5 DDBDMO O=[N+]([O-])CC[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000930696877 713898504 /nfs/dbraw/zinc/89/85/04/713898504.db2.gz UYLFKGJWTDKPBS-AWEZNQCLSA-N 1 1 300.305 1.987 20 5 DDBDMO COc1ccc(CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000931433151 714096524 /nfs/dbraw/zinc/09/65/24/714096524.db2.gz QJSNWSSRKBQFRQ-UONOGXRCSA-N 1 1 305.378 1.987 20 5 DDBDMO COC1(OC)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000931641421 714147490 /nfs/dbraw/zinc/14/74/90/714147490.db2.gz FALIPGCRDOTEOH-RISCZKNCSA-N 1 1 310.350 1.712 20 5 DDBDMO Cn1ccc([C@H]2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000932133075 714267756 /nfs/dbraw/zinc/26/77/56/714267756.db2.gz RBRGSYGKZWGVKZ-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000932133075 714267757 /nfs/dbraw/zinc/26/77/57/714267757.db2.gz RBRGSYGKZWGVKZ-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721526 714655231 /nfs/dbraw/zinc/65/52/31/714655231.db2.gz FWFUXRIFYVFPGX-RWMBFGLXSA-N 1 1 324.402 1.941 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721526 714655233 /nfs/dbraw/zinc/65/52/33/714655233.db2.gz FWFUXRIFYVFPGX-RWMBFGLXSA-N 1 1 324.402 1.941 20 5 DDBDMO Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940108756 716627630 /nfs/dbraw/zinc/62/76/30/716627630.db2.gz JEROQUNFCBEVDO-DGCLKSJQSA-N 1 1 322.365 1.119 20 5 DDBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164768146 721279535 /nfs/dbraw/zinc/27/95/35/721279535.db2.gz KNEJGCSGQCHCDA-UHFFFAOYSA-N 1 1 304.350 1.150 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC001121199295 782405984 /nfs/dbraw/zinc/40/59/84/782405984.db2.gz NWIVISKYVGODAB-HERUPUMHSA-N 1 1 307.325 1.804 20 5 DDBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001125542547 734451566 /nfs/dbraw/zinc/45/15/66/734451566.db2.gz PRKOIJNMQXDIME-UHFFFAOYSA-N 1 1 317.349 1.075 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001105415514 741206035 /nfs/dbraw/zinc/20/60/35/741206035.db2.gz WEGNXOQJCQDSSI-UHFFFAOYSA-N 1 1 322.409 1.830 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936942 742843803 /nfs/dbraw/zinc/84/38/03/742843803.db2.gz XXWHZBMEJGNMEC-TZMCWYRMSA-N 1 1 302.334 1.039 20 5 DDBDMO CCc1ccc(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126938901 742887068 /nfs/dbraw/zinc/88/70/68/742887068.db2.gz MFEYEPPWXCJXSE-HUUCEWRRSA-N 1 1 305.378 1.163 20 5 DDBDMO CN(C)c1ccc(NCC2([NH+]3CCCC3)COC2)c([N+](=O)[O-])c1 ZINC001168450994 745113487 /nfs/dbraw/zinc/11/34/87/745113487.db2.gz DGLVCPYRZYIHHX-UHFFFAOYSA-N 1 1 320.393 1.938 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c(Cl)c1 ZINC001198752040 747598786 /nfs/dbraw/zinc/59/87/86/747598786.db2.gz HZEKDJBMNMFTRD-PWSUYJOCSA-N 1 1 314.769 1.671 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCN(C)c1ccccc1[N+](=O)[O-] ZINC001095605356 750072297 /nfs/dbraw/zinc/07/22/97/750072297.db2.gz HYJKPLSKRAHBGK-UHFFFAOYSA-N 1 1 322.409 1.879 20 5 DDBDMO CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)C(N)=O ZINC001169156867 762266377 /nfs/dbraw/zinc/26/63/77/762266377.db2.gz HGNNHVPSOBQYNP-BONVTDFDSA-N 1 1 320.393 1.895 20 5 DDBDMO CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)C(N)=O ZINC001169156867 762266382 /nfs/dbraw/zinc/26/63/82/762266382.db2.gz HGNNHVPSOBQYNP-BONVTDFDSA-N 1 1 320.393 1.895 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040699405 762653074 /nfs/dbraw/zinc/65/30/74/762653074.db2.gz CKSDOJRFARQKCQ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO C[C@H]1[C@@H](O)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001170324855 766252116 /nfs/dbraw/zinc/25/21/16/766252116.db2.gz SPKJLPROBRZLST-ZANVPECISA-N 1 1 311.313 1.518 20 5 DDBDMO O=C(C1CC1)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048635904 769603418 /nfs/dbraw/zinc/60/34/18/769603418.db2.gz LPDNEKDNNDCQOW-GASCZTMLSA-N 1 1 315.373 1.895 20 5 DDBDMO Cc1cc(N[C@H](N)CCC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001159788949 771928935 /nfs/dbraw/zinc/92/89/35/771928935.db2.gz NTHAHZVOWMKITB-ZDUSSCGKSA-N 1 1 316.365 1.218 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001094008446 775325351 /nfs/dbraw/zinc/32/53/51/775325351.db2.gz NRNIOXNDBRQVCE-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO O=C(NCc1c[nH+]c2n1CCC2)c1ccc([N+](=O)[O-])cc1F ZINC001177740630 778718219 /nfs/dbraw/zinc/71/82/19/778718219.db2.gz WERBLJFFPYUPOD-UHFFFAOYSA-N 1 1 304.281 1.807 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001117797907 780902323 /nfs/dbraw/zinc/90/23/23/780902323.db2.gz MZAQQTIFSNKMQN-OSMZGAPFSA-N 1 1 307.350 1.227 20 5 DDBDMO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001119938551 781688376 /nfs/dbraw/zinc/68/83/76/781688376.db2.gz IWDQMPZJCPLLAZ-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO C[N@H+](CCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001267187960 837497871 /nfs/dbraw/zinc/49/78/71/837497871.db2.gz BGEBFIBXNCTLFG-UHFFFAOYSA-N 1 1 304.306 1.445 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001267187960 837497876 /nfs/dbraw/zinc/49/78/76/837497876.db2.gz BGEBFIBXNCTLFG-UHFFFAOYSA-N 1 1 304.306 1.445 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269986131 842201711 /nfs/dbraw/zinc/20/17/11/842201711.db2.gz UTAMNWAKDVFIBO-AAVRWANBSA-N 1 1 315.389 1.808 20 5 DDBDMO C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCO1 ZINC001122253111 858726149 /nfs/dbraw/zinc/72/61/49/858726149.db2.gz JPEWXZSXYKDPDM-NHYWBVRUSA-N 1 1 307.350 1.406 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001124003007 859518523 /nfs/dbraw/zinc/51/85/23/859518523.db2.gz LTZJFFNLQYMPOH-NILFDRSVSA-N 1 1 303.362 1.973 20 5 DDBDMO CN1CC[NH+](CCO[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001224551121 881444838 /nfs/dbraw/zinc/44/48/38/881444838.db2.gz CUFDBGZWXBCCOM-INIZCTEOSA-N 1 1 305.378 1.326 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C=C1CCCCC1 ZINC001124383956 859699716 /nfs/dbraw/zinc/69/97/16/859699716.db2.gz KCNBSRSJEVCFAX-UHFFFAOYSA-N 1 1 321.381 1.425 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCC2(O)CCOCC2)ncc1[N+](=O)[O-] ZINC001156712515 863284786 /nfs/dbraw/zinc/28/47/86/863284786.db2.gz GSECHWXCPIZZPO-ZZXKWVIFSA-N 1 1 322.365 1.476 20 5 DDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001157018972 863520472 /nfs/dbraw/zinc/52/04/72/863520472.db2.gz CAACTYFFDNCINM-JTQLQIEISA-N 1 1 314.773 1.801 20 5 DDBDMO O=C(NCCC[NH2+]CC1CCC(F)(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767034 864117966 /nfs/dbraw/zinc/11/79/66/864117966.db2.gz DOALTVOGNHJLPA-VXGBXAGGSA-N 1 1 319.352 1.573 20 5 DDBDMO [NH3+]Cc1ncn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1 ZINC001157928321 864272909 /nfs/dbraw/zinc/27/29/09/864272909.db2.gz HSPTWWBSZKWAOU-UHFFFAOYSA-N 1 1 304.644 1.291 20 5 DDBDMO [NH3+]Cc1ncn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])n1 ZINC001157928610 864274125 /nfs/dbraw/zinc/27/41/25/864274125.db2.gz LVJTWPNYFNCENH-UHFFFAOYSA-N 1 1 305.685 1.231 20 5 DDBDMO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cc2F)c2ccncc12 ZINC001160945760 866202861 /nfs/dbraw/zinc/20/28/61/866202861.db2.gz KRSIYGOCAVSBBQ-UHFFFAOYSA-N 1 1 301.281 1.969 20 5 DDBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001324437772 867279308 /nfs/dbraw/zinc/27/93/08/867279308.db2.gz BXZIUFYWYHXUNM-LSDHHAIUSA-N 1 1 319.361 1.325 20 5 DDBDMO CC(=O)Nc1ccc(NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162689650 867738321 /nfs/dbraw/zinc/73/83/21/867738321.db2.gz LUIQTPSXXDXGTG-GFCCVEGCSA-N 1 1 308.338 1.296 20 5 DDBDMO CC(=O)Nc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162689650 867738337 /nfs/dbraw/zinc/73/83/37/867738337.db2.gz LUIQTPSXXDXGTG-GFCCVEGCSA-N 1 1 308.338 1.296 20 5 DDBDMO C[C@H]1[C@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[N@H+]1C ZINC001335230804 868160015 /nfs/dbraw/zinc/16/00/15/868160015.db2.gz REBSTVOKKFOCFN-XHDPSFHLSA-N 1 1 318.377 1.755 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001322508679 868212009 /nfs/dbraw/zinc/21/20/09/868212009.db2.gz DSCBPRSDGRWPMN-BMIGLBTASA-N 1 1 318.377 1.849 20 5 DDBDMO CC(C)[N@H+](C)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335365109 868250343 /nfs/dbraw/zinc/25/03/43/868250343.db2.gz AGSIURQAOFYGPW-AWEZNQCLSA-N 1 1 311.382 1.264 20 5 DDBDMO CC(C)[N@@H+](C)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001335365109 868250357 /nfs/dbraw/zinc/25/03/57/868250357.db2.gz AGSIURQAOFYGPW-AWEZNQCLSA-N 1 1 311.382 1.264 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335565330 868387738 /nfs/dbraw/zinc/38/77/38/868387738.db2.gz HYCRISVRUHFJHN-KGLIPLIRSA-N 1 1 306.366 1.334 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001336745182 869120677 /nfs/dbraw/zinc/12/06/77/869120677.db2.gz GNMRDFSFHOMKDA-LLVKDONJSA-N 1 1 322.365 1.981 20 5 DDBDMO CN1CCN(c2cc[nH+]cc2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203569385 870645986 /nfs/dbraw/zinc/64/59/86/870645986.db2.gz BPORGJURRQPEME-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001304002276 871176921 /nfs/dbraw/zinc/17/69/21/871176921.db2.gz OTCHIDZTELYPJE-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001304002276 871176931 /nfs/dbraw/zinc/17/69/31/871176931.db2.gz OTCHIDZTELYPJE-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC001304042932 871180691 /nfs/dbraw/zinc/18/06/91/871180691.db2.gz PDXVASBSPYWUHN-LLVKDONJSA-N 1 1 307.354 1.032 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC001347597693 874205675 /nfs/dbraw/zinc/20/56/75/874205675.db2.gz RYERSXZWKPHXGH-XDTLVQLUSA-N 1 1 305.334 1.370 20 5 DDBDMO CC(=O)N1CCC([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001351065404 876041447 /nfs/dbraw/zinc/04/14/47/876041447.db2.gz JXCFZBZHDZWAFB-UHFFFAOYSA-N 1 1 303.362 1.964 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cccc1[N+](=O)[O-] ZINC001353285487 877229449 /nfs/dbraw/zinc/22/94/49/877229449.db2.gz NQVUXIRYFZSNKY-RAIGVLPGSA-N 1 1 319.361 1.673 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+](C)CCO ZINC001219044232 877886583 /nfs/dbraw/zinc/88/65/83/877886583.db2.gz XVABQDJSQRKVPU-UHFFFAOYSA-N 1 1 324.381 1.545 20 5 DDBDMO CC[N@H+]1CC[C@@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641641 881038708 /nfs/dbraw/zinc/03/87/08/881038708.db2.gz BWAWFJWQFFSOLE-BXUZGUMPSA-N 1 1 308.334 1.920 20 5 DDBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243434 883403483 /nfs/dbraw/zinc/40/34/83/883403483.db2.gz YDJLFCUJLQVJSC-SECBINFHSA-O 1 1 307.330 1.717 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229368140 883948137 /nfs/dbraw/zinc/94/81/37/883948137.db2.gz WYYFWUAQYIARTN-VIFPVBQESA-N 1 1 304.306 1.717 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H](F)C[C@H]3CO)CC2)cc1 ZINC001254476642 896457073 /nfs/dbraw/zinc/45/70/73/896457073.db2.gz VBRIJEVUWVHYRR-LRDDRELGSA-N 1 1 323.368 1.968 20 5 DDBDMO COC(=O)CO[C@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571273 896509290 /nfs/dbraw/zinc/50/92/90/896509290.db2.gz RMMZAFRBWLVADD-JSGCOSHPSA-N 1 1 322.361 1.790 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(N3CCOCC3)C1)C2 ZINC001254598599 896524039 /nfs/dbraw/zinc/52/40/39/896524039.db2.gz IEEJYBZFSFTYDE-HNNXBMFYSA-N 1 1 303.362 1.078 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001265581124 902156719 /nfs/dbraw/zinc/15/67/19/902156719.db2.gz QPVKZRBTWBKZJE-ZDUSSCGKSA-N 1 1 320.393 1.928 20 5 DDBDMO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249590322 282179457 /nfs/dbraw/zinc/17/94/57/282179457.db2.gz VDXXBHKNNKMMFG-DGCLKSJQSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249590322 282179458 /nfs/dbraw/zinc/17/94/58/282179458.db2.gz VDXXBHKNNKMMFG-DGCLKSJQSA-N 1 1 307.350 1.559 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278917651 214494816 /nfs/dbraw/zinc/49/48/16/214494816.db2.gz RDDCCILCFQEFNH-OAHLLOKOSA-N 1 1 305.334 1.186 20 5 DDBDMO CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000614920193 362076276 /nfs/dbraw/zinc/07/62/76/362076276.db2.gz GSJLAKZVTZSJRO-UHFFFAOYSA-N 1 1 311.357 1.622 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000616141637 362558606 /nfs/dbraw/zinc/55/86/06/362558606.db2.gz DFBCVBSTJXBKRI-UHFFFAOYSA-N 1 1 313.741 1.372 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181719139 199343469 /nfs/dbraw/zinc/34/34/69/199343469.db2.gz RTUDZMVWTDWDJC-SNVBAGLBSA-N 1 1 313.329 1.765 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000279747939 215111950 /nfs/dbraw/zinc/11/19/50/215111950.db2.gz PWFRPSRMRXDUEQ-ZDUSSCGKSA-N 1 1 324.402 1.994 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000279747939 215111951 /nfs/dbraw/zinc/11/19/51/215111951.db2.gz PWFRPSRMRXDUEQ-ZDUSSCGKSA-N 1 1 324.402 1.994 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000279788244 215146641 /nfs/dbraw/zinc/14/66/41/215146641.db2.gz CYMYFYUIUKIXEA-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC=CCC1 ZINC000279920349 215237723 /nfs/dbraw/zinc/23/77/23/215237723.db2.gz GCVMHUXXZOUKAI-UHFFFAOYSA-N 1 1 305.334 1.352 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000331774300 234107495 /nfs/dbraw/zinc/10/74/95/234107495.db2.gz KWJAWZSCYDCDRB-YUELXQCFSA-N 1 1 308.382 1.807 20 5 DDBDMO CCOCCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292073938 222822560 /nfs/dbraw/zinc/82/25/60/222822560.db2.gz DWUNXHIGDDIHMT-UHFFFAOYSA-N 1 1 309.366 1.572 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054375840 352690707 /nfs/dbraw/zinc/69/07/07/352690707.db2.gz PMVQBQCCURMVQR-GFCCVEGCSA-N 1 1 310.354 1.010 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067159197 353036578 /nfs/dbraw/zinc/03/65/78/353036578.db2.gz UZPIWHCKRAIHBA-UHFFFAOYSA-N 1 1 323.349 1.436 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000066870925 353020636 /nfs/dbraw/zinc/02/06/36/353020636.db2.gz YMOJPVTULSDHNR-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000068800124 353131149 /nfs/dbraw/zinc/13/11/49/353131149.db2.gz RRCXSWZIQAARNL-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174663738 198367470 /nfs/dbraw/zinc/36/74/70/198367470.db2.gz AWSBLIBGLYVMAC-WFASDCNBSA-N 1 1 304.350 1.845 20 5 DDBDMO CCCC(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174841125 198392016 /nfs/dbraw/zinc/39/20/16/198392016.db2.gz FOOUMIHTMAYTJY-CYBMUJFWSA-N 1 1 323.397 1.420 20 5 DDBDMO Cc1cc(N(C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000092652826 353865707 /nfs/dbraw/zinc/86/57/07/353865707.db2.gz LSLQDRBFDPTIFP-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142296230 354144275 /nfs/dbraw/zinc/14/42/75/354144275.db2.gz VLAJBSFQLIVREI-CQSZACIVSA-N 1 1 303.362 1.834 20 5 DDBDMO Nc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000142257006 354144300 /nfs/dbraw/zinc/14/43/00/354144300.db2.gz KYJHIUBYIVXTPU-LBPRGKRZSA-N 1 1 304.350 1.487 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000314064299 354483068 /nfs/dbraw/zinc/48/30/68/354483068.db2.gz RQMLMKIHLJVJPA-NSHDSACASA-N 1 1 307.350 1.288 20 5 DDBDMO O=c1[nH]cnc2cc(N[C@@H]3CC[N@H+](C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000320983898 354530412 /nfs/dbraw/zinc/53/04/12/354530412.db2.gz BNZSXYRURXVRHY-SECBINFHSA-N 1 1 315.333 1.892 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000314680528 354488120 /nfs/dbraw/zinc/48/81/20/354488120.db2.gz COASLPFWWNXLSO-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000314680528 354488123 /nfs/dbraw/zinc/48/81/23/354488123.db2.gz COASLPFWWNXLSO-LBPRGKRZSA-N 1 1 307.350 1.628 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000587862312 354886195 /nfs/dbraw/zinc/88/61/95/354886195.db2.gz ZYLVHXOSICBFEU-TZMCWYRMSA-N 1 1 309.341 1.769 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588004322 354892145 /nfs/dbraw/zinc/89/21/45/354892145.db2.gz NKLQQYUIXBHYNO-UHFFFAOYSA-N 1 1 319.365 1.701 20 5 DDBDMO Cc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860603 354943281 /nfs/dbraw/zinc/94/32/81/354943281.db2.gz JYQOATUSLJYVOG-QWHCGFSZSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590011324 355040390 /nfs/dbraw/zinc/04/03/90/355040390.db2.gz HYVXHWXAYNKYOL-SWLSCSKDSA-N 1 1 318.377 1.478 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590578387 355119491 /nfs/dbraw/zinc/11/94/91/355119491.db2.gz QGXVUBXBHPFXAY-LLVKDONJSA-N 1 1 322.365 1.554 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591579972 355330728 /nfs/dbraw/zinc/33/07/28/355330728.db2.gz CANMMXMXMLDAPC-MDZLAQPJSA-N 1 1 324.356 1.602 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346477471 283110116 /nfs/dbraw/zinc/11/01/16/283110116.db2.gz GBLSVDRQZHQUCT-CQSZACIVSA-N 1 1 319.361 1.670 20 5 DDBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](C)C1 ZINC000592828332 355704992 /nfs/dbraw/zinc/70/49/92/355704992.db2.gz GQWZRFJKNHFBHP-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CC[N@@H+](C)C1 ZINC000592828331 355705378 /nfs/dbraw/zinc/70/53/78/355705378.db2.gz GQWZRFJKNHFBHP-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000593036803 355776318 /nfs/dbraw/zinc/77/63/18/355776318.db2.gz UMKDYIOVSVHPBY-AAEUAGOBSA-N 1 1 322.361 1.974 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000593415036 355878249 /nfs/dbraw/zinc/87/82/49/355878249.db2.gz JZSPNLPBBMDRCD-NSHDSACASA-N 1 1 321.352 1.877 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000593727841 355977318 /nfs/dbraw/zinc/97/73/18/355977318.db2.gz TXYVXJRPHXWMGH-MRXNPFEDSA-N 1 1 314.345 1.842 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593697768 355970958 /nfs/dbraw/zinc/97/09/58/355970958.db2.gz FBROVNKPKXYXAB-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731033 356300000 /nfs/dbraw/zinc/30/00/00/356300000.db2.gz DLUUJTIZOUOAJE-LLVKDONJSA-N 1 1 305.338 1.166 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000595011337 356371929 /nfs/dbraw/zinc/37/19/29/356371929.db2.gz HDPFPLKKBLKDMO-GXFFZTMASA-N 1 1 307.350 1.875 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601339431 358506109 /nfs/dbraw/zinc/50/61/09/358506109.db2.gz XSFGBFTYKZTQKL-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595769523 356644990 /nfs/dbraw/zinc/64/49/90/356644990.db2.gz JJRAVAQVHYVWTM-QMTHXVAHSA-N 1 1 308.334 1.807 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595826500 356665971 /nfs/dbraw/zinc/66/59/71/356665971.db2.gz ABFDGELDKBEDBR-QWHCGFSZSA-N 1 1 322.361 1.951 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596272241 356840373 /nfs/dbraw/zinc/84/03/73/356840373.db2.gz VHSIFWUFXKRTRJ-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000597677979 357281624 /nfs/dbraw/zinc/28/16/24/357281624.db2.gz KIARSQNZOHAKBK-NSHDSACASA-N 1 1 322.365 1.248 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000597623879 357260214 /nfs/dbraw/zinc/26/02/14/357260214.db2.gz CXXGIUJKUFBBPN-ZDUSSCGKSA-N 1 1 318.377 1.023 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000597924831 357384521 /nfs/dbraw/zinc/38/45/21/357384521.db2.gz LERFMYCKFFWOJZ-SNVBAGLBSA-N 1 1 324.356 1.919 20 5 DDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597947398 357395390 /nfs/dbraw/zinc/39/53/90/357395390.db2.gz XQZPROCXQQEQKG-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000598342280 357545521 /nfs/dbraw/zinc/54/55/21/357545521.db2.gz LMTQFWSEDHHXSP-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598745584 357713455 /nfs/dbraw/zinc/71/34/55/357713455.db2.gz KQYVDRHULMIESV-JTQLQIEISA-N 1 1 322.365 1.546 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599093320 357813280 /nfs/dbraw/zinc/81/32/80/357813280.db2.gz ORZYPVSBWGZMAV-AAEUAGOBSA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@H+]1CC[C@H](O)C1 ZINC000599093320 357813283 /nfs/dbraw/zinc/81/32/83/357813283.db2.gz ORZYPVSBWGZMAV-AAEUAGOBSA-N 1 1 309.366 1.321 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000599631898 357999183 /nfs/dbraw/zinc/99/91/83/357999183.db2.gz DWLWQOPWDGJMHT-GTQRCTGISA-N 1 1 324.402 1.959 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000599809794 358063902 /nfs/dbraw/zinc/06/39/02/358063902.db2.gz WFGKJNUTJIOPAJ-UHFFFAOYSA-N 1 1 316.317 1.390 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600474540 358234514 /nfs/dbraw/zinc/23/45/14/358234514.db2.gz XZYSGZMTLAOBHS-NSHDSACASA-N 1 1 321.381 1.627 20 5 DDBDMO Cc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601148456 358421983 /nfs/dbraw/zinc/42/19/83/358421983.db2.gz BZNIFKOGDOYAJP-OAHLLOKOSA-N 1 1 304.350 1.634 20 5 DDBDMO Cc1[nH+]cc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601148456 358421988 /nfs/dbraw/zinc/42/19/88/358421988.db2.gz BZNIFKOGDOYAJP-OAHLLOKOSA-N 1 1 304.350 1.634 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)C(F)(F)F)c2c1 ZINC000601151982 358423128 /nfs/dbraw/zinc/42/31/28/358423128.db2.gz JXGIJEBOOQDAFG-LLVKDONJSA-N 1 1 301.224 1.900 20 5 DDBDMO C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000601151287 358423131 /nfs/dbraw/zinc/42/31/31/358423131.db2.gz VJMKLFZJPNBAKO-JTQLQIEISA-N 1 1 312.345 1.410 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000601583517 358611603 /nfs/dbraw/zinc/61/16/03/358611603.db2.gz BULNLEZDMKSBNN-WDEREUQCSA-N 1 1 323.324 1.015 20 5 DDBDMO CC(C)(O)CN1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000602556985 359043504 /nfs/dbraw/zinc/04/35/04/359043504.db2.gz HYNNXPHIJGTBER-UHFFFAOYSA-N 1 1 321.421 1.962 20 5 DDBDMO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792799 359195137 /nfs/dbraw/zinc/19/51/37/359195137.db2.gz COOYBKKAGPOJKV-AVGNSLFASA-N 1 1 306.366 1.901 20 5 DDBDMO CO[C@@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839811 359229283 /nfs/dbraw/zinc/22/92/83/359229283.db2.gz LWLCLUUFYHDRQI-QWHCGFSZSA-N 1 1 308.382 1.989 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@H]1C ZINC000602952567 359318704 /nfs/dbraw/zinc/31/87/04/359318704.db2.gz NPJYSFWTXFODPX-VXGBXAGGSA-N 1 1 321.381 1.667 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964607 359327790 /nfs/dbraw/zinc/32/77/90/359327790.db2.gz RWDUEEYRCIIWSC-WFASDCNBSA-N 1 1 310.350 1.575 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000603140837 359428998 /nfs/dbraw/zinc/42/89/98/359428998.db2.gz ALZXVHSAGLWYOB-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000603140837 359429006 /nfs/dbraw/zinc/42/90/06/359429006.db2.gz ALZXVHSAGLWYOB-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO O=[N+]([O-])c1cnn(CCn2cc(C[NH+]3CCCCC3)nn2)c1 ZINC000603226448 359497477 /nfs/dbraw/zinc/49/74/77/359497477.db2.gz YMSZMFPATJARMC-UHFFFAOYSA-N 1 1 305.342 1.069 20 5 DDBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000603397053 359614661 /nfs/dbraw/zinc/61/46/61/359614661.db2.gz JLXYIIWSUFYJGA-QWHCGFSZSA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1ccc(NC(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000187406433 200108128 /nfs/dbraw/zinc/10/81/28/200108128.db2.gz RQHUZNFNEWBTJL-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565782963 304092125 /nfs/dbraw/zinc/09/21/25/304092125.db2.gz JXBOLCRDAPMTQS-AWEZNQCLSA-N 1 1 309.366 1.102 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000609309494 360291726 /nfs/dbraw/zinc/29/17/26/360291726.db2.gz GUSFSWNVQSKPKP-NSHDSACASA-N 1 1 306.366 1.680 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712468 360512180 /nfs/dbraw/zinc/51/21/80/360512180.db2.gz BWNUIPZHLWDQTB-GWCFXTLKSA-N 1 1 321.381 1.125 20 5 DDBDMO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610899189 360565999 /nfs/dbraw/zinc/56/59/99/360565999.db2.gz DTBTYTVAZKCQIQ-GXFFZTMASA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899189 360566002 /nfs/dbraw/zinc/56/60/02/360566002.db2.gz DTBTYTVAZKCQIQ-GXFFZTMASA-N 1 1 308.338 1.435 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000610912570 360570212 /nfs/dbraw/zinc/57/02/12/360570212.db2.gz YMUVKGTWURJEJS-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000610912570 360570216 /nfs/dbraw/zinc/57/02/16/360570216.db2.gz YMUVKGTWURJEJS-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088487 360619474 /nfs/dbraw/zinc/61/94/74/360619474.db2.gz ZGASKBKNMKNKQJ-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193946116 201151995 /nfs/dbraw/zinc/15/19/95/201151995.db2.gz IJMXKFNWBQQLEV-NSHDSACASA-N 1 1 322.321 1.461 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193946116 201151998 /nfs/dbraw/zinc/15/19/98/201151998.db2.gz IJMXKFNWBQQLEV-NSHDSACASA-N 1 1 322.321 1.461 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271720217 296115601 /nfs/dbraw/zinc/11/56/01/296115601.db2.gz KUGFSCXXOAFTID-FRRDWIJNSA-N 1 1 321.377 1.881 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000266204803 205180606 /nfs/dbraw/zinc/18/06/06/205180606.db2.gz WTDJVJQJKRHEOX-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288380850 220120604 /nfs/dbraw/zinc/12/06/04/220120604.db2.gz KGSLTQCMLSUTCD-LBPRGKRZSA-N 1 1 305.378 1.998 20 5 DDBDMO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336848698 249255215 /nfs/dbraw/zinc/25/52/15/249255215.db2.gz MEZLOGVADGQADU-VIFPVBQESA-N 1 1 319.358 1.530 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1[N+](=O)[O-] ZINC000284802987 218183668 /nfs/dbraw/zinc/18/36/68/218183668.db2.gz MOSZLKWFBDJEKU-OLZOCXBDSA-N 1 1 304.350 1.501 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cc1[N+](=O)[O-] ZINC000284802987 218183670 /nfs/dbraw/zinc/18/36/70/218183670.db2.gz MOSZLKWFBDJEKU-OLZOCXBDSA-N 1 1 304.350 1.501 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000285265540 218358985 /nfs/dbraw/zinc/35/89/85/218358985.db2.gz IFRQWORKZBXTSG-UHFFFAOYSA-N 1 1 319.321 1.874 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000302486846 532955436 /nfs/dbraw/zinc/95/54/36/532955436.db2.gz YRHNWBBLGCTQNO-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000302486846 532955440 /nfs/dbraw/zinc/95/54/40/532955440.db2.gz YRHNWBBLGCTQNO-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000157326689 197180166 /nfs/dbraw/zinc/18/01/66/197180166.db2.gz NGGBMPFJDIXNMZ-UHFFFAOYSA-N 1 1 319.340 1.753 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@@H]1O ZINC000352657401 285201916 /nfs/dbraw/zinc/20/19/16/285201916.db2.gz AEEYUQQXBRDGAU-STQMWFEESA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@@H]1O ZINC000352657401 285201919 /nfs/dbraw/zinc/20/19/19/285201919.db2.gz AEEYUQQXBRDGAU-STQMWFEESA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1O ZINC000352660154 285204942 /nfs/dbraw/zinc/20/49/42/285204942.db2.gz MUFZGFYNYZMIQM-CABCVRRESA-N 1 1 319.361 1.329 20 5 DDBDMO Cc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120601275 195200040 /nfs/dbraw/zinc/20/00/40/195200040.db2.gz HGWBWQIDUHATOL-ZIAGYGMSSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1 ZINC000070076801 406808322 /nfs/dbraw/zinc/80/83/22/406808322.db2.gz NAGMLVVUHBZQQK-GHMZBOCLSA-N 1 1 313.379 1.107 20 5 DDBDMO Cc1c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000078622845 407036777 /nfs/dbraw/zinc/03/67/77/407036777.db2.gz GWAJOHGPLWRBDH-UHFFFAOYSA-N 1 1 314.345 1.555 20 5 DDBDMO Cc1c(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000078622845 407036779 /nfs/dbraw/zinc/03/67/79/407036779.db2.gz GWAJOHGPLWRBDH-UHFFFAOYSA-N 1 1 314.345 1.555 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000066620645 407255354 /nfs/dbraw/zinc/25/53/54/407255354.db2.gz YKNINSQZFUPKNX-NSHDSACASA-N 1 1 318.377 1.700 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000124907189 407372931 /nfs/dbraw/zinc/37/29/31/407372931.db2.gz HMHLHDYZCGKSCZ-LLVKDONJSA-N 1 1 322.365 1.690 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114062861 407535631 /nfs/dbraw/zinc/53/56/31/407535631.db2.gz FRXWNAIAJNWQQY-MNOVXSKESA-N 1 1 323.349 1.663 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000178782009 407602591 /nfs/dbraw/zinc/60/25/91/407602591.db2.gz ZHZVPFKRNLABBK-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000171609699 407720354 /nfs/dbraw/zinc/72/03/54/407720354.db2.gz SSYWRAXWKYAZGE-NSHDSACASA-N 1 1 306.366 1.877 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000267248823 407806629 /nfs/dbraw/zinc/80/66/29/407806629.db2.gz GFBSVEKXBJOHPB-RYUDHWBXSA-N 1 1 304.350 1.534 20 5 DDBDMO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187420955 407855633 /nfs/dbraw/zinc/85/56/33/407855633.db2.gz SSHADDZWKUMIAL-RISCZKNCSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187420955 407855641 /nfs/dbraw/zinc/85/56/41/407855641.db2.gz SSHADDZWKUMIAL-RISCZKNCSA-N 1 1 307.350 1.559 20 5 DDBDMO CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153758523 407895371 /nfs/dbraw/zinc/89/53/71/407895371.db2.gz KHCKSYMLTNYFKM-CQSZACIVSA-N 1 1 309.366 1.428 20 5 DDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153758523 407895381 /nfs/dbraw/zinc/89/53/81/407895381.db2.gz KHCKSYMLTNYFKM-CQSZACIVSA-N 1 1 309.366 1.428 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000154036224 407958720 /nfs/dbraw/zinc/95/87/20/407958720.db2.gz NRWLGPBNAVNRBQ-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCSC1 ZINC000154036224 407958727 /nfs/dbraw/zinc/95/87/27/407958727.db2.gz NRWLGPBNAVNRBQ-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268242971 407963913 /nfs/dbraw/zinc/96/39/13/407963913.db2.gz VGABIQLVQBMZAW-ZWNOBZJWSA-N 1 1 319.361 1.816 20 5 DDBDMO CC[C@@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189660502 408073768 /nfs/dbraw/zinc/07/37/68/408073768.db2.gz BLJGYCRDLPDMAZ-BBRMVZONSA-N 1 1 324.377 1.571 20 5 DDBDMO COCCOCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175683196 408184502 /nfs/dbraw/zinc/18/45/02/408184502.db2.gz NKZZTASGMZORGP-GFCCVEGCSA-N 1 1 310.354 1.139 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1CO ZINC000190897913 408338547 /nfs/dbraw/zinc/33/85/47/408338547.db2.gz RHVBBMQRZZTPEB-PWSUYJOCSA-N 1 1 318.333 1.705 20 5 DDBDMO C[C@@H](CO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000131949646 162026349 /nfs/dbraw/zinc/02/63/49/162026349.db2.gz CCLDMWGZBGACCH-JTQLQIEISA-N 1 1 309.322 1.205 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ncccc2[N+](=O)[O-])C1 ZINC000131944389 162026976 /nfs/dbraw/zinc/02/69/76/162026976.db2.gz ICLRYJNBQHHAFA-SECBINFHSA-N 1 1 321.366 1.079 20 5 DDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000264324794 408445944 /nfs/dbraw/zinc/44/59/44/408445944.db2.gz LBRQOZUHYLVCCK-LLVKDONJSA-N 1 1 304.354 1.929 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177128916 408529034 /nfs/dbraw/zinc/52/90/34/408529034.db2.gz KQFOATOKPVTRCR-AAEUAGOBSA-N 1 1 303.362 1.879 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000191701314 408471722 /nfs/dbraw/zinc/47/17/22/408471722.db2.gz HVBYASNUZFEZNY-UHFFFAOYSA-N 1 1 308.338 1.039 20 5 DDBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937118 408475484 /nfs/dbraw/zinc/47/54/84/408475484.db2.gz YQQDXZNBRGGCQF-ZIAGYGMSSA-N 1 1 309.366 1.382 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000248440586 408565745 /nfs/dbraw/zinc/56/57/45/408565745.db2.gz DCFFUNWRYHJCRQ-ZFWWWQNUSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000248440586 408565752 /nfs/dbraw/zinc/56/57/52/408565752.db2.gz DCFFUNWRYHJCRQ-ZFWWWQNUSA-N 1 1 322.361 1.445 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248456632 408572211 /nfs/dbraw/zinc/57/22/11/408572211.db2.gz LTJHUTQBLAQSHH-MELADBBJSA-N 1 1 324.377 1.570 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000248636974 408606230 /nfs/dbraw/zinc/60/62/30/408606230.db2.gz QNRDFNIVVJHSNI-GUBZILKMSA-N 1 1 307.354 1.080 20 5 DDBDMO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)o1 ZINC000184771795 408684823 /nfs/dbraw/zinc/68/48/23/408684823.db2.gz ISDCANOWHPUIML-ZDUSSCGKSA-N 1 1 321.333 1.635 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000249569045 408742934 /nfs/dbraw/zinc/74/29/34/408742934.db2.gz NTUAGCVDPLSWLR-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000249569045 408742938 /nfs/dbraw/zinc/74/29/38/408742938.db2.gz NTUAGCVDPLSWLR-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)Cn2cccn2)C2CC2)c1 ZINC000177999952 408755178 /nfs/dbraw/zinc/75/51/78/408755178.db2.gz UGDSCMTVAAIFTD-INIZCTEOSA-N 1 1 316.361 1.817 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000285631178 408831709 /nfs/dbraw/zinc/83/17/09/408831709.db2.gz AFKVZRCVMLADTK-MWLCHTKSSA-N 1 1 322.287 1.284 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000285631164 408831768 /nfs/dbraw/zinc/83/17/68/408831768.db2.gz AFKVZRCVMLADTK-KOLCDFICSA-N 1 1 322.287 1.284 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192810054 163238221 /nfs/dbraw/zinc/23/82/21/163238221.db2.gz CKGDZJKLTTZWRK-UHFFFAOYSA-N 1 1 310.354 1.074 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277678343 408990979 /nfs/dbraw/zinc/99/09/79/408990979.db2.gz GDMNTLCUGLZLNR-GXSJLCMTSA-N 1 1 322.287 1.427 20 5 DDBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000278398498 409080111 /nfs/dbraw/zinc/08/01/11/409080111.db2.gz WCFCSRITTLIYLB-HOCLYGCPSA-N 1 1 324.377 1.441 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H](O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000293297324 409084790 /nfs/dbraw/zinc/08/47/90/409084790.db2.gz WICKTNGMKKNZPC-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278917643 409112539 /nfs/dbraw/zinc/11/25/39/409112539.db2.gz RDDCCILCFQEFNH-HNNXBMFYSA-N 1 1 305.334 1.186 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283428229 409154811 /nfs/dbraw/zinc/15/48/11/409154811.db2.gz IZXYEVKKLOPBLH-VIFPVBQESA-N 1 1 310.329 1.530 20 5 DDBDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000288808738 409181984 /nfs/dbraw/zinc/18/19/84/409181984.db2.gz MHWCNUUTXCJWNH-MRXNPFEDSA-N 1 1 321.377 1.678 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283600807 409183549 /nfs/dbraw/zinc/18/35/49/409183549.db2.gz YHHNMUGIVCZFHF-UHFFFAOYSA-N 1 1 321.312 1.641 20 5 DDBDMO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000293945824 409211324 /nfs/dbraw/zinc/21/13/24/409211324.db2.gz RRSRQQMENMSJFB-HNNXBMFYSA-N 1 1 305.334 1.468 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000293945824 409211328 /nfs/dbraw/zinc/21/13/28/409211328.db2.gz RRSRQQMENMSJFB-HNNXBMFYSA-N 1 1 305.334 1.468 20 5 DDBDMO COCC[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284012232 409257902 /nfs/dbraw/zinc/25/79/02/409257902.db2.gz KHXDUKMNKURYMW-UHFFFAOYSA-N 1 1 315.320 1.637 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000283732339 409205740 /nfs/dbraw/zinc/20/57/40/409205740.db2.gz IAMRPGFBICMZSX-NSHDSACASA-N 1 1 322.365 1.979 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280264799 409280102 /nfs/dbraw/zinc/28/01/02/409280102.db2.gz OUKHJYUWOUHHRM-UHFFFAOYSA-N 1 1 307.354 1.262 20 5 DDBDMO CCOc1cccc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284995662 409391186 /nfs/dbraw/zinc/39/11/86/409391186.db2.gz LREHYTSGIHXJDQ-KGLIPLIRSA-N 1 1 321.377 1.903 20 5 DDBDMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280536477 409346282 /nfs/dbraw/zinc/34/62/82/409346282.db2.gz PINDOXLJMZUDAN-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280536477 409346285 /nfs/dbraw/zinc/34/62/85/409346285.db2.gz PINDOXLJMZUDAN-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000285400709 409429411 /nfs/dbraw/zinc/42/94/11/409429411.db2.gz ORGBHTCMHRWAQX-BETUJISGSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000285400709 409429416 /nfs/dbraw/zinc/42/94/16/409429416.db2.gz ORGBHTCMHRWAQX-BETUJISGSA-N 1 1 307.350 1.951 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000316971050 164025249 /nfs/dbraw/zinc/02/52/49/164025249.db2.gz ZUTZPVUIULXIKP-LBPRGKRZSA-N 1 1 307.350 1.912 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000363442177 164160276 /nfs/dbraw/zinc/16/02/76/164160276.db2.gz PYEUXRMXLHKIEZ-UHFFFAOYSA-N 1 1 323.397 1.290 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000304380555 409616888 /nfs/dbraw/zinc/61/68/88/409616888.db2.gz YGJBCMSHOCRDPS-HUUCEWRRSA-N 1 1 308.382 1.807 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])[N@H+](C)C1 ZINC000331556654 409633446 /nfs/dbraw/zinc/63/34/46/409633446.db2.gz IYMNLOBCGDBXJE-HZMBPMFUSA-N 1 1 305.334 1.203 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])[N@@H+](C)C1 ZINC000331556654 409633449 /nfs/dbraw/zinc/63/34/49/409633449.db2.gz IYMNLOBCGDBXJE-HZMBPMFUSA-N 1 1 305.334 1.203 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891006 409694497 /nfs/dbraw/zinc/69/44/97/409694497.db2.gz WCVYAGCNCZKOSW-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000338073915 409697855 /nfs/dbraw/zinc/69/78/55/409697855.db2.gz RELNXQSOCGSKHP-CYBMUJFWSA-N 1 1 323.397 1.338 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000318799315 409881368 /nfs/dbraw/zinc/88/13/68/409881368.db2.gz ATAHWFLTWDIJBO-JTQLQIEISA-N 1 1 307.354 1.032 20 5 DDBDMO COc1cc(Cc2noc([C@@H]3CC[N@@H+](C)C3)n2)ccc1[N+](=O)[O-] ZINC000350154633 409926868 /nfs/dbraw/zinc/92/68/68/409926868.db2.gz DXFXTFSVPRWMJF-LLVKDONJSA-N 1 1 318.333 1.996 20 5 DDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000332726615 410238465 /nfs/dbraw/zinc/23/84/65/410238465.db2.gz SNUXIAWBLAEOAH-MWLCHTKSSA-N 1 1 313.379 1.183 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000298752426 410383397 /nfs/dbraw/zinc/38/33/97/410383397.db2.gz NMKKFEMVHRAVHZ-AWEZNQCLSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000298752426 410383402 /nfs/dbraw/zinc/38/34/02/410383402.db2.gz NMKKFEMVHRAVHZ-AWEZNQCLSA-N 1 1 307.350 1.404 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c(Cl)c1 ZINC000347325043 410471257 /nfs/dbraw/zinc/47/12/57/410471257.db2.gz YUXDSXLPQOMNNS-TXEJJXNPSA-N 1 1 300.742 1.566 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)c(Cl)c1 ZINC000347325043 410471269 /nfs/dbraw/zinc/47/12/69/410471269.db2.gz YUXDSXLPQOMNNS-TXEJJXNPSA-N 1 1 300.742 1.566 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347329320 410473518 /nfs/dbraw/zinc/47/35/18/410473518.db2.gz IFNAJRGXBPLJCE-VXGBXAGGSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299251539 410582554 /nfs/dbraw/zinc/58/25/54/410582554.db2.gz PJETXVMGTSHDGU-GFCCVEGCSA-N 1 1 322.365 1.497 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000301061841 410647044 /nfs/dbraw/zinc/64/70/44/410647044.db2.gz CIIUEEGVYWLMNF-GFCCVEGCSA-N 1 1 306.366 1.851 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343802147 410712765 /nfs/dbraw/zinc/71/27/65/410712765.db2.gz SORXJRVKRHHPSW-DOMZBBRYSA-N 1 1 320.393 1.919 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000343829905 410731748 /nfs/dbraw/zinc/73/17/48/410731748.db2.gz NHUCSGXQWPTVRC-QMTHXVAHSA-N 1 1 319.361 1.816 20 5 DDBDMO CCOC(=O)c1cc(N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000301612163 410755618 /nfs/dbraw/zinc/75/56/18/410755618.db2.gz FPFBQTHWQXEXMJ-UHFFFAOYSA-N 1 1 307.350 1.913 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359623904 410778197 /nfs/dbraw/zinc/77/81/97/410778197.db2.gz LBQBWGVCYQGHAH-UHFFFAOYSA-N 1 1 307.350 1.656 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337437487 410783343 /nfs/dbraw/zinc/78/33/43/410783343.db2.gz XWHIESPGWUSQBO-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330585670 410801249 /nfs/dbraw/zinc/80/12/49/410801249.db2.gz LMJAWGNPQMDSOE-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330585670 410801254 /nfs/dbraw/zinc/80/12/54/410801254.db2.gz LMJAWGNPQMDSOE-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330585670 410801258 /nfs/dbraw/zinc/80/12/58/410801258.db2.gz LMJAWGNPQMDSOE-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000330524333 410749934 /nfs/dbraw/zinc/74/99/34/410749934.db2.gz NUCMTUCXYJTFDR-UHFFFAOYSA-N 1 1 323.397 1.631 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000301896940 410823057 /nfs/dbraw/zinc/82/30/57/410823057.db2.gz ZVNBBMWHBMQBRE-LBPRGKRZSA-N 1 1 318.381 1.806 20 5 DDBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935490 410832806 /nfs/dbraw/zinc/83/28/06/410832806.db2.gz RLDRMVVBQWTPIS-XPTSAGLGSA-N 1 1 313.329 1.874 20 5 DDBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(F)cc1[N+](=O)[O-] ZINC000301935490 410832813 /nfs/dbraw/zinc/83/28/13/410832813.db2.gz RLDRMVVBQWTPIS-XPTSAGLGSA-N 1 1 313.329 1.874 20 5 DDBDMO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c(N3CCCCC3)n2)c1 ZINC000353270755 410893195 /nfs/dbraw/zinc/89/31/95/410893195.db2.gz WUNPWSQYHAECJL-UHFFFAOYSA-N 1 1 317.353 1.684 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000348356573 410931408 /nfs/dbraw/zinc/93/14/08/410931408.db2.gz ZJJLNWHLFLVPDD-UHFFFAOYSA-N 1 1 321.381 1.258 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000361732387 307004769 /nfs/dbraw/zinc/00/47/69/307004769.db2.gz CEGXAXBNRYVPEV-CQSZACIVSA-N 1 1 312.297 1.546 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000132908678 196295769 /nfs/dbraw/zinc/29/57/69/196295769.db2.gz OGHXAYDOJRRBKF-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000132908678 196295771 /nfs/dbraw/zinc/29/57/71/196295771.db2.gz OGHXAYDOJRRBKF-WFASDCNBSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000133231978 196323302 /nfs/dbraw/zinc/32/33/02/196323302.db2.gz LEFAVOIEZXPTID-UHFFFAOYSA-N 1 1 307.325 1.902 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000134059897 196357419 /nfs/dbraw/zinc/35/74/19/196357419.db2.gz RQVYLYCOJLWOJW-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO Cc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134117830 196362876 /nfs/dbraw/zinc/36/28/76/196362876.db2.gz PYYZBSGCPCZVKS-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000350892674 306758857 /nfs/dbraw/zinc/75/88/57/306758857.db2.gz SYIQOZSEFWCPNU-MRVPVSSYSA-N 1 1 315.293 1.305 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296665987 226103670 /nfs/dbraw/zinc/10/36/70/226103670.db2.gz KJOKVXOJRGIMRP-GOEBONIOSA-N 1 1 324.377 1.693 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000373285250 418418625 /nfs/dbraw/zinc/41/86/25/418418625.db2.gz AESSLYKARVTVCH-NSHDSACASA-N 1 1 305.338 1.114 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000374025705 418485449 /nfs/dbraw/zinc/48/54/49/418485449.db2.gz YMOXRNOFXYZTSN-TUKIKUTGSA-N 1 1 319.361 1.554 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000374025705 418485452 /nfs/dbraw/zinc/48/54/52/418485452.db2.gz YMOXRNOFXYZTSN-TUKIKUTGSA-N 1 1 319.361 1.554 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000374425573 418529757 /nfs/dbraw/zinc/52/97/57/418529757.db2.gz XOFCTXGFAMBJBF-UHFFFAOYSA-N 1 1 308.367 1.866 20 5 DDBDMO CC(C)C[C@H]1C(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189819107 222058545 /nfs/dbraw/zinc/05/85/45/222058545.db2.gz KCWBDOMDKQIIEP-HNNXBMFYSA-N 1 1 305.378 1.984 20 5 DDBDMO CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000189819107 222058547 /nfs/dbraw/zinc/05/85/47/222058547.db2.gz KCWBDOMDKQIIEP-HNNXBMFYSA-N 1 1 305.378 1.984 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375036891 418593109 /nfs/dbraw/zinc/59/31/09/418593109.db2.gz IJGGVTLPBJRZJV-CZUORRHYSA-N 1 1 305.378 2.000 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3C[N@H+](C)C[C@@H]3C)n2)n1C ZINC000361248774 418612615 /nfs/dbraw/zinc/61/26/15/418612615.db2.gz CXVDLPKPCNYPOU-CBAPKCEASA-N 1 1 306.326 1.352 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000361587114 418688107 /nfs/dbraw/zinc/68/81/07/418688107.db2.gz UWNFTDBMEYHTSN-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420950417 419382274 /nfs/dbraw/zinc/38/22/74/419382274.db2.gz WLNMYJIRUJFWIO-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000421701625 419689827 /nfs/dbraw/zinc/68/98/27/419689827.db2.gz HZVJSHWLYFUTMT-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421703782 419690089 /nfs/dbraw/zinc/69/00/89/419690089.db2.gz NAJBVFHIGVKWHZ-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@@H+](CCCCNc1ccc2ncc([N+](=O)[O-])n2n1)C1CC1 ZINC000413351536 419778644 /nfs/dbraw/zinc/77/86/44/419778644.db2.gz ZYYKCLGNTLHWNW-UHFFFAOYSA-N 1 1 304.354 1.924 20 5 DDBDMO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429254486 419994032 /nfs/dbraw/zinc/99/40/32/419994032.db2.gz FRVSMAHHPJVMSF-SNVBAGLBSA-N 1 1 322.365 1.654 20 5 DDBDMO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(N)=O ZINC000428855624 419942863 /nfs/dbraw/zinc/94/28/63/419942863.db2.gz HICHYZIFRZTDMR-ZWNOBZJWSA-N 1 1 317.349 1.076 20 5 DDBDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429299016 419998716 /nfs/dbraw/zinc/99/87/16/419998716.db2.gz FLPJYTHNUMXETE-MRXNPFEDSA-N 1 1 318.377 1.901 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418997846 420041193 /nfs/dbraw/zinc/04/11/93/420041193.db2.gz LNTZLNZTSGAUNV-GHMZBOCLSA-N 1 1 311.386 1.011 20 5 DDBDMO COc1ccc(OCC[NH2+][C@H](CN)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356301 420232844 /nfs/dbraw/zinc/23/28/44/420232844.db2.gz GAGPKJQBAVOEBT-CQSZACIVSA-N 1 1 311.382 1.945 20 5 DDBDMO Nc1nc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435596849 420266902 /nfs/dbraw/zinc/26/69/02/420266902.db2.gz ZZBUZFMFGFBXKH-GFCCVEGCSA-N 1 1 320.397 1.598 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000425061079 420325378 /nfs/dbraw/zinc/32/53/78/420325378.db2.gz XWXUTQWREBVULP-XHDPSFHLSA-N 1 1 319.361 1.770 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420593919 420325622 /nfs/dbraw/zinc/32/56/22/420325622.db2.gz CLZYENCOXISVQT-LBPRGKRZSA-N 1 1 320.393 1.862 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000420606977 420329590 /nfs/dbraw/zinc/32/95/90/420329590.db2.gz ZBXYWDQTLAGUIX-AAEUAGOBSA-N 1 1 318.377 1.614 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000439696150 420532433 /nfs/dbraw/zinc/53/24/33/420532433.db2.gz MVLMLJCUSXGIHU-GFCCVEGCSA-N 1 1 323.397 1.867 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000457084329 420604386 /nfs/dbraw/zinc/60/43/86/420604386.db2.gz GPBFFBBJDWYZRO-LLVKDONJSA-N 1 1 306.366 1.732 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000457094618 420610073 /nfs/dbraw/zinc/61/00/73/420610073.db2.gz OUNWPHHDRXKANG-SNVBAGLBSA-N 1 1 307.354 1.127 20 5 DDBDMO CC[N@@H+](C)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447804848 420802839 /nfs/dbraw/zinc/80/28/39/420802839.db2.gz GXMFMSOJPWKDNX-UHFFFAOYSA-N 1 1 322.409 1.791 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456221183 421125863 /nfs/dbraw/zinc/12/58/63/421125863.db2.gz GFVSBROSBDHHQJ-TXEJJXNPSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456221183 421125866 /nfs/dbraw/zinc/12/58/66/421125866.db2.gz GFVSBROSBDHHQJ-TXEJJXNPSA-N 1 1 307.350 1.122 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000449764503 421077669 /nfs/dbraw/zinc/07/76/69/421077669.db2.gz BQXCRFBHWDGTSZ-ZYHUDNBSSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000449764503 421077672 /nfs/dbraw/zinc/07/76/72/421077672.db2.gz BQXCRFBHWDGTSZ-ZYHUDNBSSA-N 1 1 310.350 1.815 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489348694 421148764 /nfs/dbraw/zinc/14/87/64/421148764.db2.gz NBESLTTUICQNNZ-HNNXBMFYSA-N 1 1 305.378 1.936 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000545396210 421256756 /nfs/dbraw/zinc/25/67/56/421256756.db2.gz BSJYGZDLRXBXRY-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000562933257 421428478 /nfs/dbraw/zinc/42/84/78/421428478.db2.gz CLVYUJFESHVXPJ-ZDUSSCGKSA-N 1 1 306.366 1.220 20 5 DDBDMO C[N@@H+](CCC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000548392952 421432689 /nfs/dbraw/zinc/43/26/89/421432689.db2.gz JKCXYRRWVKMNNJ-UHFFFAOYSA-N 1 1 323.397 1.562 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)O1 ZINC000516387135 421544425 /nfs/dbraw/zinc/54/44/25/421544425.db2.gz DEWCGZADPYNNRY-TXEJJXNPSA-N 1 1 324.381 1.162 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000530627221 421610675 /nfs/dbraw/zinc/61/06/75/421610675.db2.gz KLDXABZPQVIDGA-AWEZNQCLSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395924 421783478 /nfs/dbraw/zinc/78/34/78/421783478.db2.gz OXPXGHVEKIQFEQ-AWEZNQCLSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572395924 421783485 /nfs/dbraw/zinc/78/34/85/421783485.db2.gz OXPXGHVEKIQFEQ-AWEZNQCLSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000574782458 422180310 /nfs/dbraw/zinc/18/03/10/422180310.db2.gz ZNYIQFLKWVORDN-LLVKDONJSA-N 1 1 309.370 1.275 20 5 DDBDMO COC(=O)c1ccnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598629752 422398314 /nfs/dbraw/zinc/39/83/14/422398314.db2.gz PGKAKMFMFBLYJS-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000577767803 422424498 /nfs/dbraw/zinc/42/44/98/422424498.db2.gz MDQHSDKUVKRHKG-NSHDSACASA-N 1 1 323.397 1.882 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1F ZINC000275815548 274096601 /nfs/dbraw/zinc/09/66/01/274096601.db2.gz MCEDUHDTZSYKOC-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000301646496 274096953 /nfs/dbraw/zinc/09/69/53/274096953.db2.gz ICIFIEAJOIQGEX-OCCSQVGLSA-N 1 1 311.313 1.262 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c2cccnc21 ZINC000320971237 275036091 /nfs/dbraw/zinc/03/60/91/275036091.db2.gz XEWOFIKTTHSRNF-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NCc1cccs1 ZINC000357923212 299021417 /nfs/dbraw/zinc/02/14/17/299021417.db2.gz CXEQXLZMADPJID-UHFFFAOYSA-N 1 1 323.378 1.101 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NCc1cccs1 ZINC000357923212 299021420 /nfs/dbraw/zinc/02/14/20/299021420.db2.gz CXEQXLZMADPJID-UHFFFAOYSA-N 1 1 323.378 1.101 20 5 DDBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000357932318 299024049 /nfs/dbraw/zinc/02/40/49/299024049.db2.gz RWBUEDBLHJUMLZ-UHFFFAOYSA-N 1 1 312.370 1.845 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000362279594 300042663 /nfs/dbraw/zinc/04/26/63/300042663.db2.gz HQQQUWXEYODFOY-ZANVPECISA-N 1 1 322.340 1.482 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC000369981748 301251237 /nfs/dbraw/zinc/25/12/37/301251237.db2.gz CYMBKKKSLFGHQJ-GXFFZTMASA-N 1 1 319.365 1.128 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000370217831 301296359 /nfs/dbraw/zinc/29/63/59/301296359.db2.gz BQENGVXURUUPII-HRCADAONSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000370217831 301296361 /nfs/dbraw/zinc/29/63/61/301296361.db2.gz BQENGVXURUUPII-HRCADAONSA-N 1 1 317.389 1.475 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000370217831 301296363 /nfs/dbraw/zinc/29/63/63/301296363.db2.gz BQENGVXURUUPII-HRCADAONSA-N 1 1 317.389 1.475 20 5 DDBDMO Cn1nccc1[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000514873868 302751911 /nfs/dbraw/zinc/75/19/11/302751911.db2.gz YYGNUXSJHKYICJ-CHWSQXEVSA-N 1 1 302.334 1.639 20 5 DDBDMO COc1ccc(OCC[N@@H+]2C[C@H](CO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362086969 307013582 /nfs/dbraw/zinc/01/35/82/307013582.db2.gz LFXAKBUVMMJIAF-VXGBXAGGSA-N 1 1 310.350 1.542 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000363939931 307038220 /nfs/dbraw/zinc/03/82/20/307038220.db2.gz VKHWGRNMCGBCGF-STQMWFEESA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017396 307114513 /nfs/dbraw/zinc/11/45/13/307114513.db2.gz OIDFLILIDQXYMR-ZIAGYGMSSA-N 1 1 307.398 1.913 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371834244 307158661 /nfs/dbraw/zinc/15/86/61/307158661.db2.gz IFIRIDZIFBDQML-HIFRSBDPSA-N 1 1 305.378 1.981 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371834244 307158662 /nfs/dbraw/zinc/15/86/62/307158662.db2.gz IFIRIDZIFBDQML-HIFRSBDPSA-N 1 1 305.378 1.981 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000377583436 307273618 /nfs/dbraw/zinc/27/36/18/307273618.db2.gz HWCIOCXYQZQPCB-BTDICHCPSA-N 1 1 311.288 1.674 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377601544 307274560 /nfs/dbraw/zinc/27/45/60/307274560.db2.gz CGIUAJSHCMCEIW-SECBINFHSA-N 1 1 308.294 1.200 20 5 DDBDMO C[C@H](CCN(C)C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116848 308043826 /nfs/dbraw/zinc/04/38/26/308043826.db2.gz LDTHDKSUWVFLCU-CHWSQXEVSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@H](CC[NH+](C)C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566116848 308043827 /nfs/dbraw/zinc/04/38/27/308043827.db2.gz LDTHDKSUWVFLCU-CHWSQXEVSA-N 1 1 311.382 1.264 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CO)[C@H]1C ZINC000488807094 484220263 /nfs/dbraw/zinc/22/02/63/484220263.db2.gz OFNZCSBCJPLCLI-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488807094 484220272 /nfs/dbraw/zinc/22/02/72/484220272.db2.gz OFNZCSBCJPLCLI-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796300 484238848 /nfs/dbraw/zinc/23/88/48/484238848.db2.gz OTSKTBCHCUMZAA-TZMCWYRMSA-N 1 1 324.381 1.262 20 5 DDBDMO CN(CC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271451347 500612765 /nfs/dbraw/zinc/61/27/65/500612765.db2.gz XDKOXNFWOCXDIB-UHFFFAOYSA-N 1 1 307.397 1.058 20 5 DDBDMO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1CCO ZINC000302443700 533977327 /nfs/dbraw/zinc/97/73/27/533977327.db2.gz QWVBYNWSHUKIGD-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CS[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000451308209 533980607 /nfs/dbraw/zinc/98/06/07/533980607.db2.gz AFGFPSSGHFQTRT-TZMCWYRMSA-N 1 1 312.391 1.772 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459638447 528210565 /nfs/dbraw/zinc/21/05/65/528210565.db2.gz BYRFKFNZKBXMFD-INIZCTEOSA-N 1 1 324.377 1.701 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459638447 528210568 /nfs/dbraw/zinc/21/05/68/528210568.db2.gz BYRFKFNZKBXMFD-INIZCTEOSA-N 1 1 324.377 1.701 20 5 DDBDMO CCC[N@@H+](CC)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821095175 606138911 /nfs/dbraw/zinc/13/89/11/606138911.db2.gz ZULYVCRSUPFUJJ-UHFFFAOYSA-N 1 1 319.369 1.919 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000127001522 696767156 /nfs/dbraw/zinc/76/71/56/696767156.db2.gz VSPMIRXRCBAVBF-NSHDSACASA-N 1 1 318.782 1.915 20 5 DDBDMO C[N@H+](C[C@@H]1CCCO1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151736008 696889973 /nfs/dbraw/zinc/88/99/73/696889973.db2.gz STUNQGUKOKPENT-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@@H+](C[C@@H]1CCCO1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000151736008 696889975 /nfs/dbraw/zinc/88/99/75/696889975.db2.gz STUNQGUKOKPENT-AWEZNQCLSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000154904681 696939002 /nfs/dbraw/zinc/93/90/02/696939002.db2.gz YQWCEPUHQQHXRJ-ZDUSSCGKSA-N 1 1 319.369 1.369 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000154904681 696939003 /nfs/dbraw/zinc/93/90/03/696939003.db2.gz YQWCEPUHQQHXRJ-ZDUSSCGKSA-N 1 1 319.369 1.369 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000172491538 697368119 /nfs/dbraw/zinc/36/81/19/697368119.db2.gz ZBCSKVLWABWFBE-LBPRGKRZSA-N 1 1 310.354 1.451 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](C3OCCO3)C2)c(C)c1[N+](=O)[O-] ZINC000172491538 697368120 /nfs/dbraw/zinc/36/81/20/697368120.db2.gz ZBCSKVLWABWFBE-LBPRGKRZSA-N 1 1 310.354 1.451 20 5 DDBDMO COCCOC[C@@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173393509 697377409 /nfs/dbraw/zinc/37/74/09/697377409.db2.gz CXOQMUFLYACECO-CYBMUJFWSA-N 1 1 312.370 1.351 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000173393509 697377411 /nfs/dbraw/zinc/37/74/11/697377411.db2.gz CXOQMUFLYACECO-CYBMUJFWSA-N 1 1 312.370 1.351 20 5 DDBDMO Cc1nn(CN2CCC[C@@H]2C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000173372368 697377740 /nfs/dbraw/zinc/37/77/40/697377740.db2.gz VNPBCKKISNYAHE-CQSZACIVSA-N 1 1 323.397 1.162 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(O)(C(C)C)C1 ZINC000773891461 697819539 /nfs/dbraw/zinc/81/95/39/697819539.db2.gz YNDDQLWADRKFSK-UHFFFAOYSA-N 1 1 321.377 1.935 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000775100184 697962763 /nfs/dbraw/zinc/96/27/63/697962763.db2.gz BMGVMDGDFXPSAY-BXKDBHETSA-N 1 1 323.305 1.886 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000775100184 697962766 /nfs/dbraw/zinc/96/27/66/697962766.db2.gz BMGVMDGDFXPSAY-BXKDBHETSA-N 1 1 323.305 1.886 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583087 698121444 /nfs/dbraw/zinc/12/14/44/698121444.db2.gz ZLXFRRANJPGGTM-MPKXVKKWSA-N 1 1 307.350 1.214 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586975 698122489 /nfs/dbraw/zinc/12/24/89/698122489.db2.gz RTDPGTMBFZCJDY-UKRRQHHQSA-N 1 1 308.334 1.513 20 5 DDBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CCO ZINC000783680863 698867519 /nfs/dbraw/zinc/86/75/19/698867519.db2.gz WLDUEAYRDZQGQX-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353079928 699028993 /nfs/dbraw/zinc/02/89/93/699028993.db2.gz LBQXSFUYACBUMU-RYUDHWBXSA-N 1 1 321.377 1.950 20 5 DDBDMO C[C@H]([C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000729469401 699479524 /nfs/dbraw/zinc/47/95/24/699479524.db2.gz GINYIKKKAWDNCV-NWDGAFQWSA-N 1 1 319.365 1.764 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588969 699642031 /nfs/dbraw/zinc/64/20/31/699642031.db2.gz GZRZZILHJDSDEE-RCBQFDQVSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588969 699642033 /nfs/dbraw/zinc/64/20/33/699642033.db2.gz GZRZZILHJDSDEE-RCBQFDQVSA-N 1 1 322.361 1.508 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794969688 699838997 /nfs/dbraw/zinc/83/89/97/699838997.db2.gz BFUWFCFDKCCTKJ-FICVDOATSA-N 1 1 320.345 1.715 20 5 DDBDMO CCc1[nH]nc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000795612230 699878767 /nfs/dbraw/zinc/87/87/67/699878767.db2.gz OVDZVBLOXMOURT-JTQLQIEISA-N 1 1 310.354 1.912 20 5 DDBDMO Cc1c(C(=O)NCC[NH+]2CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000752299877 700354553 /nfs/dbraw/zinc/35/45/53/700354553.db2.gz VBORSLVXJFQFLO-UHFFFAOYSA-N 1 1 322.321 1.555 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761067599 700838216 /nfs/dbraw/zinc/83/82/16/700838216.db2.gz FYWYKDJWQKISFF-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000803855397 701149657 /nfs/dbraw/zinc/14/96/57/701149657.db2.gz HWJBECALJMSQMX-LBPRGKRZSA-N 1 1 310.354 1.599 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771404456 701318489 /nfs/dbraw/zinc/31/84/89/701318489.db2.gz JCWZYHCBJGRYQF-NXEZZACHSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771404456 701318491 /nfs/dbraw/zinc/31/84/91/701318491.db2.gz JCWZYHCBJGRYQF-NXEZZACHSA-N 1 1 322.321 1.668 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000771946237 701337919 /nfs/dbraw/zinc/33/79/19/701337919.db2.gz AQBOXKSFWWSGBW-UHFFFAOYSA-N 1 1 307.310 1.275 20 5 DDBDMO O=C(CC[N@H+]1CCOC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000839533627 701728243 /nfs/dbraw/zinc/72/82/43/701728243.db2.gz WEYQBRBVLJGJKV-AWEZNQCLSA-N 1 1 323.349 1.007 20 5 DDBDMO O=C(CC[N@@H+]1CCOC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000839533627 701728251 /nfs/dbraw/zinc/72/82/51/701728251.db2.gz WEYQBRBVLJGJKV-AWEZNQCLSA-N 1 1 323.349 1.007 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000839636629 701761622 /nfs/dbraw/zinc/76/16/22/701761622.db2.gz SPONLTJVRYZFJT-TZMCWYRMSA-N 1 1 307.350 1.038 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000879231056 706622828 /nfs/dbraw/zinc/62/28/28/706622828.db2.gz RRCQDPKLJLBXIK-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000868160298 701970206 /nfs/dbraw/zinc/97/02/06/701970206.db2.gz DUDFEYCUOQJVJH-DZGCQCFKSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000840134417 701989592 /nfs/dbraw/zinc/98/95/92/701989592.db2.gz WKRXSYHLQVNAQG-PWSUYJOCSA-N 1 1 318.333 1.096 20 5 DDBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000879334833 706653768 /nfs/dbraw/zinc/65/37/68/706653768.db2.gz NQCVVOARICHBPF-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000817374830 702361306 /nfs/dbraw/zinc/36/13/06/702361306.db2.gz MOSOYRLAAJPWRH-LLVKDONJSA-N 1 1 320.349 1.486 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817492516 702390805 /nfs/dbraw/zinc/39/08/05/702390805.db2.gz XTECNXXHWMGKQT-CYBMUJFWSA-N 1 1 320.393 1.827 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842160838 702678169 /nfs/dbraw/zinc/67/81/69/702678169.db2.gz AJMTWPHLFCHMIR-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000818969310 704037656 /nfs/dbraw/zinc/03/76/56/704037656.db2.gz CPQYEHDJLBDYND-GXFFZTMASA-N 1 1 317.349 1.517 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871156296 704232983 /nfs/dbraw/zinc/23/29/83/704232983.db2.gz VQHQJZKGCGWMSR-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO CC(C)(CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[N+](=O)[O-] ZINC000854726007 704444566 /nfs/dbraw/zinc/44/45/66/704444566.db2.gz FNXVLIZCPAYKFL-ZDUSSCGKSA-N 1 1 313.398 1.145 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000822506395 704963136 /nfs/dbraw/zinc/96/31/36/704963136.db2.gz KSRFSEAVDZSFLN-BETUJISGSA-N 1 1 303.362 1.845 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000823234627 705178735 /nfs/dbraw/zinc/17/87/35/705178735.db2.gz KLMKZSRVRAFIMC-MRVPVSSYSA-N 1 1 300.315 1.011 20 5 DDBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836660 705194001 /nfs/dbraw/zinc/19/40/01/705194001.db2.gz HOCSLVMOBSCQKT-UONOGXRCSA-N 1 1 305.334 1.609 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000874836660 705194006 /nfs/dbraw/zinc/19/40/06/705194006.db2.gz HOCSLVMOBSCQKT-UONOGXRCSA-N 1 1 305.334 1.609 20 5 DDBDMO CN1C(=O)NCC12CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000823650064 705287451 /nfs/dbraw/zinc/28/74/51/705287451.db2.gz OUWRWOMFBBEDEF-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+](C)CC(C)C ZINC000823817787 705324179 /nfs/dbraw/zinc/32/41/79/705324179.db2.gz OSRGRCDILRKVGQ-UHFFFAOYSA-N 1 1 311.386 1.194 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968186 705346826 /nfs/dbraw/zinc/34/68/26/705346826.db2.gz MNTNISDNQSXLPM-UWVGGRQHSA-N 1 1 307.354 1.733 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340622 705433213 /nfs/dbraw/zinc/43/32/13/705433213.db2.gz KGMBBXXQNQFZRZ-HIFRSBDPSA-N 1 1 308.334 1.861 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000861386772 705453050 /nfs/dbraw/zinc/45/30/50/705453050.db2.gz OBYHKSYHKOCRNX-UHFFFAOYSA-N 1 1 316.317 1.643 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000861386308 705453450 /nfs/dbraw/zinc/45/34/50/705453450.db2.gz TXZBMZZOFRSDOS-UHFFFAOYSA-N 1 1 308.290 1.229 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825380313 705658744 /nfs/dbraw/zinc/65/87/44/705658744.db2.gz YCWNKQBVMNGOGD-CQSZACIVSA-N 1 1 318.333 1.340 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825676176 705712681 /nfs/dbraw/zinc/71/26/81/705712681.db2.gz SVXIGNOGWGMSKD-OAHLLOKOSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000862793670 705799510 /nfs/dbraw/zinc/79/95/10/705799510.db2.gz SKXUIDPQOBDMQZ-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000827000804 705910483 /nfs/dbraw/zinc/91/04/83/705910483.db2.gz OXOIFLVBRBOJBG-AWEZNQCLSA-N 1 1 305.334 1.930 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827300342 705971181 /nfs/dbraw/zinc/97/11/81/705971181.db2.gz MJACEPXRDOTZIK-GOEBONIOSA-N 1 1 317.389 1.998 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000827330867 705977545 /nfs/dbraw/zinc/97/75/45/705977545.db2.gz SKINIXDAJLKNPX-RISCZKNCSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000828299730 706156453 /nfs/dbraw/zinc/15/64/53/706156453.db2.gz JBDORVVLZHKLAH-UHFFFAOYSA-N 1 1 309.370 1.042 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764917 706202379 /nfs/dbraw/zinc/20/23/79/706202379.db2.gz SBUOMMVLNJSHLZ-BETUJISGSA-N 1 1 310.350 1.026 20 5 DDBDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377833 706956899 /nfs/dbraw/zinc/95/68/99/706956899.db2.gz GMMNFRWPBVZAQK-MFKMUULPSA-N 1 1 322.390 1.833 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000880571122 707022141 /nfs/dbraw/zinc/02/21/41/707022141.db2.gz LWJSLLVCJNEOAG-UHFFFAOYSA-N 1 1 320.349 1.294 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000927127090 712945185 /nfs/dbraw/zinc/94/51/85/712945185.db2.gz QWQSNJOQHJYYDB-RNCFNFMXSA-N 1 1 308.313 1.852 20 5 DDBDMO COc1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2CC(F)F)c1=O ZINC000882271094 707566393 /nfs/dbraw/zinc/56/63/93/707566393.db2.gz KVVFPSDCVIVJMK-UHFFFAOYSA-N 1 1 314.248 1.275 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000838986836 708010718 /nfs/dbraw/zinc/01/07/18/708010718.db2.gz OKDBGXNQESYXNZ-INIZCTEOSA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](CCO)CCOCCO ZINC000839195082 708035253 /nfs/dbraw/zinc/03/52/53/708035253.db2.gz ZLEHXLUVCMEUBG-UHFFFAOYSA-N 1 1 318.757 1.051 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCO)CCOCCO ZINC000839195082 708035255 /nfs/dbraw/zinc/03/52/55/708035255.db2.gz ZLEHXLUVCMEUBG-UHFFFAOYSA-N 1 1 318.757 1.051 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c4nonc43)C[C@]2(C)C1 ZINC000896914383 708181199 /nfs/dbraw/zinc/18/11/99/708181199.db2.gz CUIMOMJGLIZSOX-OTYXRUKQSA-N 1 1 303.322 1.519 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219640 708257404 /nfs/dbraw/zinc/25/74/04/708257404.db2.gz MFOKNTLWPWLAEH-QWRGUYRKSA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897220526 708258869 /nfs/dbraw/zinc/25/88/69/708258869.db2.gz XCDXIFYUDIIXLQ-CABCVRRESA-N 1 1 309.341 1.769 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)C[C@@H]3CCCO3)c2c1 ZINC000884614246 708339215 /nfs/dbraw/zinc/33/92/15/708339215.db2.gz IITSMZHKAPYOBM-AAEUAGOBSA-N 1 1 317.345 1.907 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886553843 708776812 /nfs/dbraw/zinc/77/68/12/708776812.db2.gz WQCPYQCMYSXJAN-MBNYWOFBSA-N 1 1 324.402 1.629 20 5 DDBDMO COC(=O)N[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000886848406 708862228 /nfs/dbraw/zinc/86/22/28/708862228.db2.gz BKGIWGZUDLOBPL-LBPRGKRZSA-N 1 1 323.349 1.794 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910269080 709853379 /nfs/dbraw/zinc/85/33/79/709853379.db2.gz DSOGJLVYQBLFKU-SWLSCSKDSA-N 1 1 321.377 1.571 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000893884548 710873769 /nfs/dbraw/zinc/87/37/69/710873769.db2.gz FANNZIQELAMUIS-GFCCVEGCSA-N 1 1 310.350 1.902 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000893884548 710873771 /nfs/dbraw/zinc/87/37/71/710873771.db2.gz FANNZIQELAMUIS-GFCCVEGCSA-N 1 1 310.350 1.902 20 5 DDBDMO COc1cc([C@@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154146 711049895 /nfs/dbraw/zinc/04/98/95/711049895.db2.gz TVNDCMKFHJZYMU-IAQYHMDHSA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903154146 711049901 /nfs/dbraw/zinc/04/99/01/711049901.db2.gz TVNDCMKFHJZYMU-IAQYHMDHSA-N 1 1 309.366 1.321 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000894590401 711198479 /nfs/dbraw/zinc/19/84/79/711198479.db2.gz GTFKMBSTZVFQNG-UHFFFAOYSA-N 1 1 303.309 1.893 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895101150 711412300 /nfs/dbraw/zinc/41/23/00/711412300.db2.gz ZVBCHVDECQPBPL-TXEJJXNPSA-N 1 1 320.393 1.873 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545978 713253136 /nfs/dbraw/zinc/25/31/36/713253136.db2.gz DZAWFIZLIYTBBQ-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/C(=O)N1CC[N@H+](C)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913545978 713253139 /nfs/dbraw/zinc/25/31/39/713253139.db2.gz DZAWFIZLIYTBBQ-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895248268 711465190 /nfs/dbraw/zinc/46/51/90/711465190.db2.gz ZPOXDGLMTYDWIL-JOYOIKCWSA-N 1 1 313.789 1.111 20 5 DDBDMO O=C1C[C@@H](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CN1 ZINC000896134125 711680397 /nfs/dbraw/zinc/68/03/97/711680397.db2.gz IRGNTPQUMUOMSZ-SNVBAGLBSA-N 1 1 300.318 1.503 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000920599392 713682044 /nfs/dbraw/zinc/68/20/44/713682044.db2.gz TUYFZWKSOOISLL-DGCLKSJQSA-N 1 1 306.366 1.529 20 5 DDBDMO COCC(COC)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929988947 713730062 /nfs/dbraw/zinc/73/00/62/713730062.db2.gz PAMZKIPXVYTZKU-LLVKDONJSA-N 1 1 310.354 1.137 20 5 DDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000930901431 713953475 /nfs/dbraw/zinc/95/34/75/713953475.db2.gz MKXYHJSWWFUEQY-SNVBAGLBSA-N 1 1 316.155 1.574 20 5 DDBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000930901431 713953477 /nfs/dbraw/zinc/95/34/77/713953477.db2.gz MKXYHJSWWFUEQY-SNVBAGLBSA-N 1 1 316.155 1.574 20 5 DDBDMO Cc1noc(CN2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000931284942 714057754 /nfs/dbraw/zinc/05/77/54/714057754.db2.gz FDNIRADLYJMKSA-UHFFFAOYSA-N 1 1 324.381 1.578 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC000931459973 714102635 /nfs/dbraw/zinc/10/26/35/714102635.db2.gz CPFNJDDRWVUTRU-QMTHXVAHSA-N 1 1 302.334 1.971 20 5 DDBDMO CNc1c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000923271085 714292174 /nfs/dbraw/zinc/29/21/74/714292174.db2.gz KKQMVPCKZWXTJV-NEPJUHHUSA-N 1 1 318.377 1.945 20 5 DDBDMO CNc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923313157 714308126 /nfs/dbraw/zinc/30/81/26/714308126.db2.gz WIHVKXMCWFEQGX-OLZOCXBDSA-N 1 1 318.377 1.945 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370498 714331116 /nfs/dbraw/zinc/33/11/16/714331116.db2.gz PHLSTBNHCOKJCQ-ZNEHSRBWSA-N 1 1 323.393 1.311 20 5 DDBDMO Cc1c(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000933758991 714665540 /nfs/dbraw/zinc/66/55/40/714665540.db2.gz HLPYRWMHIMPNER-BBRMVZONSA-N 1 1 303.362 1.991 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933908715 714699525 /nfs/dbraw/zinc/69/95/25/714699525.db2.gz KVXGTDVRNWGCCG-CYBMUJFWSA-N 1 1 308.334 1.811 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933908715 714699526 /nfs/dbraw/zinc/69/95/26/714699526.db2.gz KVXGTDVRNWGCCG-CYBMUJFWSA-N 1 1 308.334 1.811 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])n1 ZINC000934832075 714912775 /nfs/dbraw/zinc/91/27/75/714912775.db2.gz NIFDRDMJQCTBSO-OLZOCXBDSA-N 1 1 308.382 1.967 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001181840547 743361205 /nfs/dbraw/zinc/36/12/05/743361205.db2.gz TYWKWVDNYWLXLJ-CYBMUJFWSA-N 1 1 321.377 1.699 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc(CF)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661728 747336738 /nfs/dbraw/zinc/33/67/38/747336738.db2.gz FZDJCIWWANGZPJ-HUUCEWRRSA-N 1 1 321.352 1.369 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)C1 ZINC001169014418 762178917 /nfs/dbraw/zinc/17/89/17/762178917.db2.gz ZLZOUOGVAZSCLT-GMTAPVOTSA-N 1 1 312.288 1.057 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018950 762199437 /nfs/dbraw/zinc/19/94/37/762199437.db2.gz FROZHUPOLHAYDY-SNPRPXQTSA-N 1 1 322.409 1.801 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057457 762210898 /nfs/dbraw/zinc/21/08/98/762210898.db2.gz VKUNMPJXBZNVAU-YNEHKIRRSA-N 1 1 322.365 1.384 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097203290 756971817 /nfs/dbraw/zinc/97/18/17/756971817.db2.gz BJVVSZGWKOOAHD-TXEJJXNPSA-N 1 1 321.381 1.391 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](C/C=C/Cl)CC2 ZINC001050520309 763700048 /nfs/dbraw/zinc/70/00/48/763700048.db2.gz OQUVMQFTRBEJCU-IYODYBDTSA-N 1 1 313.785 1.329 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334410 766256798 /nfs/dbraw/zinc/25/67/98/766256798.db2.gz DGUXSSZQEXHVRR-NORZTCDRSA-N 1 1 324.377 1.210 20 5 DDBDMO Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001157767016 766565582 /nfs/dbraw/zinc/56/55/82/766565582.db2.gz DICHZFLLYRKRRL-ZYHUDNBSSA-N 1 1 312.395 1.021 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC[C@@H]21 ZINC001171815426 776482488 /nfs/dbraw/zinc/48/24/88/776482488.db2.gz VUEBVRQGQAEVSM-HZMBPMFUSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1ncc(C[NH3+])c(=N)n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218531 777050914 /nfs/dbraw/zinc/05/09/14/777050914.db2.gz PTYVSOVPLYHCNU-JTQLQIEISA-N 1 1 301.350 1.842 20 5 DDBDMO O=C(NCCCCCC[NH2+]Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458713 779059269 /nfs/dbraw/zinc/05/92/69/779059269.db2.gz UINBVUUTPAXSFW-HUUCEWRRSA-N 1 1 320.393 1.513 20 5 DDBDMO CCOCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463239 779060879 /nfs/dbraw/zinc/06/08/79/779060879.db2.gz BMXMOYQHECARQQ-ZIAGYGMSSA-N 1 1 315.414 1.344 20 5 DDBDMO C[N@@H+](CCNC(=O)COC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267192138 837508496 /nfs/dbraw/zinc/50/84/96/837508496.db2.gz IJMBKLPUESDSEV-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001267241391 837589000 /nfs/dbraw/zinc/58/90/00/837589000.db2.gz WFEXPHYDZMRNIR-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001267241391 837589006 /nfs/dbraw/zinc/58/90/06/837589006.db2.gz WFEXPHYDZMRNIR-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001267241391 837589014 /nfs/dbraw/zinc/58/90/14/837589014.db2.gz WFEXPHYDZMRNIR-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC001326757416 861594597 /nfs/dbraw/zinc/59/45/97/861594597.db2.gz ORBBTRDNVVILSJ-AWEZNQCLSA-N 1 1 317.349 1.174 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001293855050 849612956 /nfs/dbraw/zinc/61/29/56/849612956.db2.gz LHQXWTIHCFXOFB-SFYZADRCSA-N 1 1 315.761 1.384 20 5 DDBDMO NC(=O)COC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001327511127 862229793 /nfs/dbraw/zinc/22/97/93/862229793.db2.gz BYNPIFPIBHJTCE-UHFFFAOYSA-N 1 1 311.313 1.200 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001156379244 862989252 /nfs/dbraw/zinc/98/92/52/862989252.db2.gz RJLOIPHKNPNBSP-NSHDSACASA-N 1 1 309.370 1.846 20 5 DDBDMO Cc1ccsc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001122710004 858943869 /nfs/dbraw/zinc/94/38/69/858943869.db2.gz HCJQOQXIRVJOMJ-UHFFFAOYSA-N 1 1 323.378 1.218 20 5 DDBDMO COC(=O)c1cnc(NCc2ccc(N)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001156974236 863489780 /nfs/dbraw/zinc/48/97/80/863489780.db2.gz CQDRJMQXEFWXNG-UHFFFAOYSA-N 1 1 317.305 1.674 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(OC)n3)C[C@H]2C1 ZINC001157689355 864047953 /nfs/dbraw/zinc/04/79/53/864047953.db2.gz MRQKFFOHOYPRJR-PHIMTYICSA-N 1 1 307.354 1.171 20 5 DDBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158432319 864652813 /nfs/dbraw/zinc/65/28/13/864652813.db2.gz JMNFRUIWKJPLIC-LQPUYASZSA-N 1 1 303.366 1.416 20 5 DDBDMO COC(C)(CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)OC ZINC001159382917 865266155 /nfs/dbraw/zinc/26/61/55/865266155.db2.gz SXZLDHVOPJXZPQ-VOTSOKGWSA-N 1 1 310.354 1.943 20 5 DDBDMO COc1ccnc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161700904 866907180 /nfs/dbraw/zinc/90/71/80/866907180.db2.gz VVRCIDWRSJFAEN-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333721528 866963139 /nfs/dbraw/zinc/96/31/39/866963139.db2.gz IKMANHXZMYLWKT-XHDPSFHLSA-N 1 1 317.349 1.574 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001162683169 867727274 /nfs/dbraw/zinc/72/72/74/867727274.db2.gz QOQXAKYRTFBMJP-SECBINFHSA-N 1 1 321.312 1.420 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001162683169 867727279 /nfs/dbraw/zinc/72/72/79/867727279.db2.gz QOQXAKYRTFBMJP-SECBINFHSA-N 1 1 321.312 1.420 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001322752709 868363479 /nfs/dbraw/zinc/36/34/79/868363479.db2.gz MPAZNEDSTWUGOB-GFCCVEGCSA-N 1 1 308.382 1.580 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335565328 868387485 /nfs/dbraw/zinc/38/74/85/868387485.db2.gz HYCRISVRUHFJHN-KBPBESRZSA-N 1 1 306.366 1.334 20 5 DDBDMO [NH3+][C@H]1CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CCC1(F)F ZINC001164323902 869127852 /nfs/dbraw/zinc/12/78/52/869127852.db2.gz ONDOFWXRJNPDAC-ZETCQYMHSA-N 1 1 308.672 1.054 20 5 DDBDMO CN(C)/C=C/c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147388 869407835 /nfs/dbraw/zinc/40/78/35/869407835.db2.gz FKAQKHXNOFFWIL-TWRSITDPSA-N 1 1 317.393 1.520 20 5 DDBDMO CC[C@H](C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC001308074958 871467346 /nfs/dbraw/zinc/46/73/46/871467346.db2.gz WDKMHOQSMPBTNU-SDBXPKJASA-N 1 1 305.338 1.461 20 5 DDBDMO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001345719709 873487655 /nfs/dbraw/zinc/48/76/55/873487655.db2.gz PHZLXQIRIZAJEB-RISCZKNCSA-N 1 1 321.381 1.351 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC001357161632 879826191 /nfs/dbraw/zinc/82/61/91/879826191.db2.gz WGMSNWKQXLMUER-CJNGLKHVSA-N 1 1 318.377 1.688 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1COC1C[NH+](C(C)C)C1 ZINC001222773933 880692312 /nfs/dbraw/zinc/69/23/12/880692312.db2.gz MYNHGAKHPAQIQW-UHFFFAOYSA-N 1 1 308.334 1.991 20 5 DDBDMO COC(=O)c1cc(COC[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001223690409 881059049 /nfs/dbraw/zinc/05/90/49/881059049.db2.gz JOOKUEGBQDETKL-AWEZNQCLSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cc(COC[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001223690409 881059065 /nfs/dbraw/zinc/05/90/65/881059065.db2.gz JOOKUEGBQDETKL-AWEZNQCLSA-N 1 1 324.333 1.229 20 5 DDBDMO CCOC(=O)c1ccc(CO[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223963838 881165214 /nfs/dbraw/zinc/16/52/14/881165214.db2.gz RFBXIBAZEWJWCG-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COc1c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001289376641 913190355 /nfs/dbraw/zinc/19/03/55/913190355.db2.gz HDBPGZONABZLEY-BZNIZROVSA-N 1 1 319.361 1.627 20 5 DDBDMO CC(=O)NC1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254478507 896456051 /nfs/dbraw/zinc/45/60/51/896456051.db2.gz FNYLGOQUVGHMRP-UHFFFAOYSA-N 1 1 318.377 1.384 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001254553295 896497996 /nfs/dbraw/zinc/49/79/96/896497996.db2.gz UQIKMOKMRJMVPR-KCXAZCMYSA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001254551801 896499563 /nfs/dbraw/zinc/49/95/63/896499563.db2.gz FWGSCZNGZWYPEW-GXTWGEPZSA-N 1 1 310.394 1.980 20 5 DDBDMO O=C1OC[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254602291 896527236 /nfs/dbraw/zinc/52/72/36/896527236.db2.gz CRDDCHAPHCZJPJ-ZIAGYGMSSA-N 1 1 303.318 1.198 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254602291 896527248 /nfs/dbraw/zinc/52/72/48/896527248.db2.gz CRDDCHAPHCZJPJ-ZIAGYGMSSA-N 1 1 303.318 1.198 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261810920 899774826 /nfs/dbraw/zinc/77/48/26/899774826.db2.gz RHXRBNMXPDLTPQ-UHFFFAOYSA-N 1 1 300.318 1.685 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001263583208 900641860 /nfs/dbraw/zinc/64/18/60/900641860.db2.gz AVSRFMASFPZROS-UHFFFAOYSA-N 1 1 322.317 1.619 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(NCC3([NH+]4CCOCC4)CC3)nc2c1 ZINC000278480544 214182226 /nfs/dbraw/zinc/18/22/26/214182226.db2.gz OQCUWXLSHUDZMW-UHFFFAOYSA-N 1 1 317.349 1.748 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451334529 231070780 /nfs/dbraw/zinc/07/07/80/231070780.db2.gz BVFUGYKBVKEADN-BZPMIXESSA-N 1 1 308.382 1.844 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278237667 214039950 /nfs/dbraw/zinc/03/99/50/214039950.db2.gz VWOGVDKSTFRYDM-UHFFFAOYSA-N 1 1 305.338 1.428 20 5 DDBDMO NC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083127308 185213686 /nfs/dbraw/zinc/21/36/86/185213686.db2.gz YQYZGGKPWKHQKC-UHFFFAOYSA-N 1 1 304.306 1.433 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452093838 231298530 /nfs/dbraw/zinc/29/85/30/231298530.db2.gz JHBLFBMSSKEWGM-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452093838 231298534 /nfs/dbraw/zinc/29/85/34/231298534.db2.gz JHBLFBMSSKEWGM-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452363985 231362815 /nfs/dbraw/zinc/36/28/15/231362815.db2.gz ADAOOBYUIQBQFM-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO CCCN(CC[NH+]1CCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286611649 219081186 /nfs/dbraw/zinc/08/11/86/219081186.db2.gz BWGOVEAATQIPNG-UHFFFAOYSA-N 1 1 309.370 1.574 20 5 DDBDMO COCC[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255677041 282273946 /nfs/dbraw/zinc/27/39/46/282273946.db2.gz RJPIGXFLARZIPN-SREVYHEPSA-N 1 1 319.361 1.399 20 5 DDBDMO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000563821270 303976328 /nfs/dbraw/zinc/97/63/28/303976328.db2.gz QBJIKQSUAFPMTP-NWDGAFQWSA-N 1 1 318.333 1.894 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425047992 529822154 /nfs/dbraw/zinc/82/21/54/529822154.db2.gz NKNZJADSEGZKQM-GXTWGEPZSA-N 1 1 319.361 1.526 20 5 DDBDMO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554111 529879897 /nfs/dbraw/zinc/87/98/97/529879897.db2.gz ZHMXVQSFMLUHTA-GFCCVEGCSA-N 1 1 320.349 1.230 20 5 DDBDMO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451554111 529879898 /nfs/dbraw/zinc/87/98/98/529879898.db2.gz ZHMXVQSFMLUHTA-GFCCVEGCSA-N 1 1 320.349 1.230 20 5 DDBDMO C[N@@H+](CCCCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457195122 529882991 /nfs/dbraw/zinc/88/29/91/529882991.db2.gz GDFANGDLVOAGDB-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[N@@H+](Cc1cnccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181963633 199368208 /nfs/dbraw/zinc/36/82/08/199368208.db2.gz OLXVJFRTXVVZKQ-ZDUSSCGKSA-N 1 1 318.333 1.257 20 5 DDBDMO C[N@H+](Cc1cnccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181963633 199368210 /nfs/dbraw/zinc/36/82/10/199368210.db2.gz OLXVJFRTXVVZKQ-ZDUSSCGKSA-N 1 1 318.333 1.257 20 5 DDBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272648483 210052648 /nfs/dbraw/zinc/05/26/48/210052648.db2.gz DPXPOFBMXMMLRL-LBPRGKRZSA-N 1 1 319.361 1.740 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000287096638 219311151 /nfs/dbraw/zinc/31/11/51/219311151.db2.gz YZSKYRPDTZJVRU-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000287096638 219311153 /nfs/dbraw/zinc/31/11/53/219311153.db2.gz YZSKYRPDTZJVRU-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155790589 186113057 /nfs/dbraw/zinc/11/30/57/186113057.db2.gz YPHSYEARDHOPMK-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155790589 186113059 /nfs/dbraw/zinc/11/30/59/186113059.db2.gz YPHSYEARDHOPMK-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000237445939 186290269 /nfs/dbraw/zinc/29/02/69/186290269.db2.gz ZGLPHFSHTJEFLM-UWVGGRQHSA-N 1 1 317.349 1.671 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277251299 213396570 /nfs/dbraw/zinc/39/65/70/213396570.db2.gz KIOKQSIAMQYTHK-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277251297 213395986 /nfs/dbraw/zinc/39/59/86/213395986.db2.gz KIOKQSIAMQYTHK-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000617285158 363037478 /nfs/dbraw/zinc/03/74/78/363037478.db2.gz CTDNZDZQJPMGQV-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000617285158 363037484 /nfs/dbraw/zinc/03/74/84/363037484.db2.gz CTDNZDZQJPMGQV-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172296193 198073371 /nfs/dbraw/zinc/07/33/71/198073371.db2.gz XRYSFXZFDUGACY-AWEZNQCLSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172296193 198073373 /nfs/dbraw/zinc/07/33/73/198073373.db2.gz XRYSFXZFDUGACY-AWEZNQCLSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCn1cc[nH+]c1C ZINC000047676432 352508079 /nfs/dbraw/zinc/50/80/79/352508079.db2.gz NUHMPWKZBICVKP-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000067703543 353063176 /nfs/dbraw/zinc/06/31/76/353063176.db2.gz LFLATDWQKVCQAT-WXJAXGNASA-N 1 1 301.346 1.961 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C1CC1 ZINC000067282055 353042138 /nfs/dbraw/zinc/04/21/38/353042138.db2.gz LKRWXFHBVSYAGK-UHFFFAOYSA-N 1 1 318.377 1.993 20 5 DDBDMO C[C@@H]1COCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000331928307 234287764 /nfs/dbraw/zinc/28/77/64/234287764.db2.gz DCCVQIMWZFLELA-STQMWFEESA-N 1 1 310.350 1.303 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cs1 ZINC000174024695 198282480 /nfs/dbraw/zinc/28/24/80/198282480.db2.gz BZHBIAVGJVULMY-CYBMUJFWSA-N 1 1 311.407 1.953 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cs1 ZINC000174024695 198282481 /nfs/dbraw/zinc/28/24/81/198282481.db2.gz BZHBIAVGJVULMY-CYBMUJFWSA-N 1 1 311.407 1.953 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000174536419 198349343 /nfs/dbraw/zinc/34/93/43/198349343.db2.gz UOVLNXXCOWEEKH-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO CC(C)[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000075938902 353386059 /nfs/dbraw/zinc/38/60/59/353386059.db2.gz CINCOGGCYDUAJJ-UHFFFAOYSA-N 1 1 320.393 1.610 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078562781 353521842 /nfs/dbraw/zinc/52/18/42/353521842.db2.gz OABDMTCCLHWNBH-GFCCVEGCSA-N 1 1 320.393 1.862 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000108301059 353949541 /nfs/dbraw/zinc/94/95/41/353949541.db2.gz LPPIONYTSIAXAD-GFCCVEGCSA-N 1 1 319.361 1.818 20 5 DDBDMO CCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157276644 354224189 /nfs/dbraw/zinc/22/41/89/354224189.db2.gz QJMLRCIQRMYOIY-NHYWBVRUSA-N 1 1 321.377 1.606 20 5 DDBDMO CCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157276644 354224191 /nfs/dbraw/zinc/22/41/91/354224191.db2.gz QJMLRCIQRMYOIY-NHYWBVRUSA-N 1 1 321.377 1.606 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000284899861 283031997 /nfs/dbraw/zinc/03/19/97/283031997.db2.gz HOWHDNOUOACTJY-ZJUUUORDSA-N 1 1 323.378 1.213 20 5 DDBDMO CC[N@@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000588006098 354892796 /nfs/dbraw/zinc/89/27/96/354892796.db2.gz VRXUYAGWZHHGCX-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000588006098 354892797 /nfs/dbraw/zinc/89/27/97/354892797.db2.gz VRXUYAGWZHHGCX-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO Cc1cccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863637 354944225 /nfs/dbraw/zinc/94/42/25/354944225.db2.gz SGMITZDFPYJMLW-QWHCGFSZSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561800 355114686 /nfs/dbraw/zinc/11/46/86/355114686.db2.gz GVVWGHBUWDPENZ-WDEREUQCSA-N 1 1 309.322 1.123 20 5 DDBDMO Nc1ccc(N2CC[NH+](Cc3ccncc3)CC2)nc1[N+](=O)[O-] ZINC000590570652 355116637 /nfs/dbraw/zinc/11/66/37/355116637.db2.gz RIACFDYKXJWPAX-UHFFFAOYSA-N 1 1 314.349 1.289 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590758470 355168509 /nfs/dbraw/zinc/16/85/09/355168509.db2.gz OOFVXVACRAQQMU-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO CN1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590758470 355168512 /nfs/dbraw/zinc/16/85/12/355168512.db2.gz OOFVXVACRAQQMU-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO CN1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590758470 355168513 /nfs/dbraw/zinc/16/85/13/355168513.db2.gz OOFVXVACRAQQMU-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO CCOc1cc(C[N@@H+](CCO)CCCOC)ccc1[N+](=O)[O-] ZINC000276967351 213207163 /nfs/dbraw/zinc/20/71/63/213207163.db2.gz WGRSYZKZWCXXLS-UHFFFAOYSA-N 1 1 312.366 1.824 20 5 DDBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530717 355615974 /nfs/dbraw/zinc/61/59/74/355615974.db2.gz GILQIQUMOGUKBD-JSGCOSHPSA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000593028919 355774226 /nfs/dbraw/zinc/77/42/26/355774226.db2.gz FFXPAVAPRACXDH-DOMZBBRYSA-N 1 1 319.361 1.517 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593067606 355785617 /nfs/dbraw/zinc/78/56/17/355785617.db2.gz XEJKIAGDNCXTEC-ZIAGYGMSSA-N 1 1 324.333 1.043 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000593067606 355785620 /nfs/dbraw/zinc/78/56/20/355785620.db2.gz XEJKIAGDNCXTEC-ZIAGYGMSSA-N 1 1 324.333 1.043 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593108849 355801018 /nfs/dbraw/zinc/80/10/18/355801018.db2.gz DRABRPAREPFKRF-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593108849 355801021 /nfs/dbraw/zinc/80/10/21/355801021.db2.gz DRABRPAREPFKRF-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593117433 355804638 /nfs/dbraw/zinc/80/46/38/355804638.db2.gz NEKHSHXTSGFEIB-ZDUSSCGKSA-N 1 1 311.288 1.925 20 5 DDBDMO CCOc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593505232 355906516 /nfs/dbraw/zinc/90/65/16/355906516.db2.gz UYPHAPIADWTYFO-CYBMUJFWSA-N 1 1 307.350 1.249 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594081522 356107810 /nfs/dbraw/zinc/10/78/10/356107810.db2.gz OFPMLORGBRPJLP-YPMHNXCESA-N 1 1 319.365 1.550 20 5 DDBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595319687 356448298 /nfs/dbraw/zinc/44/82/98/356448298.db2.gz CHBHXIUKTJISGB-JTQLQIEISA-N 1 1 309.322 1.666 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000081361390 192257468 /nfs/dbraw/zinc/25/74/68/192257468.db2.gz NVOMMZBNOCVJRI-GFCCVEGCSA-N 1 1 320.393 1.981 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601343036 358507620 /nfs/dbraw/zinc/50/76/20/358507620.db2.gz JJBJVJPGVSMFFZ-UHFFFAOYSA-N 1 1 319.408 1.337 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595836633 356672737 /nfs/dbraw/zinc/67/27/37/356672737.db2.gz XOVZGFKYJLBIMI-FRRDWIJNSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595856995 356679235 /nfs/dbraw/zinc/67/92/35/356679235.db2.gz HERBBDFSXKPMRO-XNRPHZJLSA-N 1 1 324.377 1.285 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595826892 356666084 /nfs/dbraw/zinc/66/60/84/356666084.db2.gz AWPAMPVMNJOSFM-VNHYZAJKSA-N 1 1 322.361 1.303 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825777 356666193 /nfs/dbraw/zinc/66/61/93/356666193.db2.gz GQZUHXAHXUPUOK-CQSZACIVSA-N 1 1 306.366 1.783 20 5 DDBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595825777 356666197 /nfs/dbraw/zinc/66/61/97/356666197.db2.gz GQZUHXAHXUPUOK-CQSZACIVSA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595880766 356689386 /nfs/dbraw/zinc/68/93/86/356689386.db2.gz ZBVMGICFWAKHGC-HSMVNMDESA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595868948 356685126 /nfs/dbraw/zinc/68/51/26/356685126.db2.gz CNXFAHGXXPBUCR-LRDDRELGSA-N 1 1 321.377 1.874 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596234554 356827148 /nfs/dbraw/zinc/82/71/48/356827148.db2.gz MRONUIGNHXBXQR-UHFFFAOYSA-N 1 1 315.805 1.361 20 5 DDBDMO CN(CCCNc1c(Cl)cncc1[N+](=O)[O-])CC[NH+](C)C ZINC000596234554 356827151 /nfs/dbraw/zinc/82/71/51/356827151.db2.gz MRONUIGNHXBXQR-UHFFFAOYSA-N 1 1 315.805 1.361 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596246847 356831253 /nfs/dbraw/zinc/83/12/53/356831253.db2.gz ILCPEOZZJREQFE-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO COCC[N@@H+]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596122837 356781293 /nfs/dbraw/zinc/78/12/93/356781293.db2.gz PAMNQKYNZWLCAH-VIFPVBQESA-N 1 1 300.746 1.198 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596122837 356781295 /nfs/dbraw/zinc/78/12/95/356781295.db2.gz PAMNQKYNZWLCAH-VIFPVBQESA-N 1 1 300.746 1.198 20 5 DDBDMO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000597712904 357298132 /nfs/dbraw/zinc/29/81/32/357298132.db2.gz AECWSVYPPWZXAF-MRXNPFEDSA-N 1 1 319.361 1.858 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000597712904 357298135 /nfs/dbraw/zinc/29/81/35/357298135.db2.gz AECWSVYPPWZXAF-MRXNPFEDSA-N 1 1 319.361 1.858 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000597925375 357384807 /nfs/dbraw/zinc/38/48/07/357384807.db2.gz NXYYDEWXWOKXEJ-GFCCVEGCSA-N 1 1 321.377 1.963 20 5 DDBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946285 357394844 /nfs/dbraw/zinc/39/48/44/357394844.db2.gz NGJDQWGXGHFURV-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C)C1 ZINC000597947460 357395858 /nfs/dbraw/zinc/39/58/58/357395858.db2.gz YTZKHVSLENYDBE-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C)C1 ZINC000597947460 357395860 /nfs/dbraw/zinc/39/58/60/357395860.db2.gz YTZKHVSLENYDBE-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C)C1 ZINC000597947460 357395864 /nfs/dbraw/zinc/39/58/64/357395864.db2.gz YTZKHVSLENYDBE-NSHDSACASA-N 1 1 317.349 1.637 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CC([NH+]2CCOCC2)C1 ZINC000599094285 357814433 /nfs/dbraw/zinc/81/44/33/357814433.db2.gz FXXXPFNANPOUOM-UHFFFAOYSA-N 1 1 309.370 1.395 20 5 DDBDMO COC(=O)c1cnc(NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599138080 357826890 /nfs/dbraw/zinc/82/68/90/357826890.db2.gz FSOLMDQOPIGUNJ-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1c[nH+]cn1Cc1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000599154233 357831023 /nfs/dbraw/zinc/83/10/23/357831023.db2.gz QTMOSOFLAYRPJE-UHFFFAOYSA-N 1 1 303.282 1.240 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)cc1OC(F)F ZINC000599176020 357840612 /nfs/dbraw/zinc/84/06/12/357840612.db2.gz OKHXORDZWDOXKY-SNVBAGLBSA-N 1 1 317.292 1.675 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCC[C@@H]21 ZINC000599661223 358013587 /nfs/dbraw/zinc/01/35/87/358013587.db2.gz TVCUSCRLCKCBBO-UPJWGTAASA-N 1 1 322.365 1.455 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600312985 358193235 /nfs/dbraw/zinc/19/32/35/358193235.db2.gz WLZOLQLNSKIGLF-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600472130 358234070 /nfs/dbraw/zinc/23/40/70/358234070.db2.gz MXUHJTDEHMEEEZ-CYBMUJFWSA-N 1 1 321.381 1.233 20 5 DDBDMO COC[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601118244 358409827 /nfs/dbraw/zinc/40/98/27/358409827.db2.gz AXRNDMRJLXDSHX-LBPRGKRZSA-N 1 1 303.318 1.995 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601153043 358424198 /nfs/dbraw/zinc/42/41/98/358424198.db2.gz UESYIPWYWJRION-UHFFFAOYSA-N 1 1 320.328 1.943 20 5 DDBDMO Cn1cnc(CCCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000601182604 358436968 /nfs/dbraw/zinc/43/69/68/358436968.db2.gz VWFHMCNLKWLABW-UHFFFAOYSA-N 1 1 312.333 1.738 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000601593702 358616579 /nfs/dbraw/zinc/61/65/79/358616579.db2.gz FPQLNZBHKHKJGB-UHFFFAOYSA-N 1 1 323.324 1.138 20 5 DDBDMO CCN1CCN([C@@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602513319 359021351 /nfs/dbraw/zinc/02/13/51/359021351.db2.gz BZTSRZHBKNWOTA-HNNXBMFYSA-N 1 1 320.437 1.753 20 5 DDBDMO CCN(CC)C(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602450085 358984845 /nfs/dbraw/zinc/98/48/45/358984845.db2.gz HJNJNQBHFHIBCX-UHFFFAOYSA-N 1 1 323.397 1.409 20 5 DDBDMO CN1CCN(C(C)(C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602508503 359018905 /nfs/dbraw/zinc/01/89/05/359018905.db2.gz CMAWQRFMJGJSOI-UHFFFAOYSA-N 1 1 320.437 1.753 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])n1 ZINC000602603217 359066933 /nfs/dbraw/zinc/06/69/33/359066933.db2.gz WMLAQWUMRGRESY-CYBMUJFWSA-N 1 1 301.350 1.788 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602839810 359228816 /nfs/dbraw/zinc/22/88/16/359228816.db2.gz LWLCLUUFYHDRQI-OLZOCXBDSA-N 1 1 308.382 1.989 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000602902405 359282924 /nfs/dbraw/zinc/28/29/24/359282924.db2.gz BWFLOFRWRMVPRU-OAHLLOKOSA-N 1 1 323.393 1.490 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000602902405 359282929 /nfs/dbraw/zinc/28/29/29/359282929.db2.gz BWFLOFRWRMVPRU-OAHLLOKOSA-N 1 1 323.393 1.490 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000604546962 359763875 /nfs/dbraw/zinc/76/38/75/359763875.db2.gz NQVAYVQBWIFMED-SNVBAGLBSA-N 1 1 302.334 1.900 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOCC(F)F)CC2)cc1 ZINC000188604698 200274491 /nfs/dbraw/zinc/27/44/91/200274491.db2.gz APSWSGHKSJVRNM-UHFFFAOYSA-N 1 1 315.320 1.999 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1CC(C)(C)O ZINC000188643916 200280513 /nfs/dbraw/zinc/28/05/13/200280513.db2.gz BZUYFVWLEAHQEU-SNVBAGLBSA-N 1 1 311.338 1.105 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1CC(C)(C)O ZINC000188643916 200280515 /nfs/dbraw/zinc/28/05/15/200280515.db2.gz BZUYFVWLEAHQEU-SNVBAGLBSA-N 1 1 311.338 1.105 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000609269839 360285826 /nfs/dbraw/zinc/28/58/26/360285826.db2.gz YDDLJIYVPZJVJP-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000611207335 360660242 /nfs/dbraw/zinc/66/02/42/360660242.db2.gz ZWJLJSLNDFXJLZ-IAQYHMDHSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000611615842 360776674 /nfs/dbraw/zinc/77/66/74/360776674.db2.gz CZVMGNLRQDKSFN-KBPBESRZSA-N 1 1 322.409 1.888 20 5 DDBDMO COCC[N@H+]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615908 360777481 /nfs/dbraw/zinc/77/74/81/360777481.db2.gz LMKBVRREKPCNDF-UHFFFAOYSA-N 1 1 308.382 1.765 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000611813101 360832372 /nfs/dbraw/zinc/83/23/72/360832372.db2.gz DVYPIZLWZZAUHZ-UHFFFAOYSA-N 1 1 305.334 1.306 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000611813101 360832374 /nfs/dbraw/zinc/83/23/74/360832374.db2.gz DVYPIZLWZZAUHZ-UHFFFAOYSA-N 1 1 305.334 1.306 20 5 DDBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713159 223212941 /nfs/dbraw/zinc/21/29/41/223212941.db2.gz SVHQUAJLFACGAS-NWDGAFQWSA-N 1 1 311.357 1.934 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193651094 201096236 /nfs/dbraw/zinc/09/62/36/201096236.db2.gz IWAZEAFHFGTYAG-NSHDSACASA-N 1 1 322.365 1.499 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000194908235 201310592 /nfs/dbraw/zinc/31/05/92/201310592.db2.gz BPQHJBKYXMEZLJ-GFCCVEGCSA-N 1 1 309.370 1.028 20 5 DDBDMO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000619252030 363945891 /nfs/dbraw/zinc/94/58/91/363945891.db2.gz FEUDVSHJUGYHKW-NWDGAFQWSA-N 1 1 322.340 1.435 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271753305 209183831 /nfs/dbraw/zinc/18/38/31/209183831.db2.gz ZBKRSPBZEVKMSJ-GFCCVEGCSA-N 1 1 322.365 1.372 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067544 212102507 /nfs/dbraw/zinc/10/25/07/212102507.db2.gz AHXMBWQYVPLIHR-KOLCDFICSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067544 212102508 /nfs/dbraw/zinc/10/25/08/212102508.db2.gz AHXMBWQYVPLIHR-KOLCDFICSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067544 212102510 /nfs/dbraw/zinc/10/25/10/212102510.db2.gz AHXMBWQYVPLIHR-KOLCDFICSA-N 1 1 309.370 1.293 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000264611080 204027573 /nfs/dbraw/zinc/02/75/73/204027573.db2.gz IAAVRFQHFXUONI-LLVKDONJSA-N 1 1 309.391 1.755 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282509848 217050144 /nfs/dbraw/zinc/05/01/44/217050144.db2.gz RTWNBKWZTNGVGN-HNNXBMFYSA-N 1 1 310.350 1.383 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288397152 220132021 /nfs/dbraw/zinc/13/20/21/220132021.db2.gz LANCHZNUJLCTMQ-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266444642 205350065 /nfs/dbraw/zinc/35/00/65/205350065.db2.gz NLRRXMNCEAWPAB-MRXNPFEDSA-N 1 1 318.377 1.983 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000288501382 220183868 /nfs/dbraw/zinc/18/38/68/220183868.db2.gz SDMAJRLCCWPNHW-UHFFFAOYSA-N 1 1 315.333 1.274 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCOCC1 ZINC000267558128 206143397 /nfs/dbraw/zinc/14/33/97/206143397.db2.gz ABJBLEFODYHPGX-MLGOLLRUSA-N 1 1 323.368 1.886 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N1CCOCC1 ZINC000267558128 206143403 /nfs/dbraw/zinc/14/34/03/206143403.db2.gz ABJBLEFODYHPGX-MLGOLLRUSA-N 1 1 323.368 1.886 20 5 DDBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncc([N+](=O)[O-])cn1 ZINC000273936499 211189632 /nfs/dbraw/zinc/18/96/32/211189632.db2.gz LBTPPATVWRZHBR-UHFFFAOYSA-N 1 1 316.321 1.668 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000105177186 194082192 /nfs/dbraw/zinc/08/21/92/194082192.db2.gz YEVQTESVZIEXTH-UHFFFAOYSA-N 1 1 318.377 1.627 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000109992068 194303084 /nfs/dbraw/zinc/30/30/84/194303084.db2.gz DDDVPKPLNAIQRB-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO COCC[N@H+](C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061378383 184169634 /nfs/dbraw/zinc/16/96/34/184169634.db2.gz CAXCRUWGNLUDBP-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO COCC[N@@H+](C)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061378383 184169637 /nfs/dbraw/zinc/16/96/37/184169637.db2.gz CAXCRUWGNLUDBP-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000424974366 533093325 /nfs/dbraw/zinc/09/33/25/533093325.db2.gz GDFDYKHLBXACGR-UHFFFAOYSA-N 1 1 311.338 1.371 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000156043219 197082422 /nfs/dbraw/zinc/08/24/22/197082422.db2.gz ZRZIPSRBEPBGQE-UHFFFAOYSA-N 1 1 308.338 1.045 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(NC[C@H]3C[NH+]4CCN3CC4)c2c1 ZINC000413193528 224151863 /nfs/dbraw/zinc/15/18/63/224151863.db2.gz AFHWXVVYNAWFFX-AWEZNQCLSA-N 1 1 313.361 1.555 20 5 DDBDMO Cc1cnn(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000289613568 221103982 /nfs/dbraw/zinc/10/39/82/221103982.db2.gz JNYLDAIFKHGLDM-UHFFFAOYSA-N 1 1 300.322 1.803 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C[C@H](C)O ZINC000289772953 221216288 /nfs/dbraw/zinc/21/62/88/221216288.db2.gz LKEMCJFDVSCCDO-LBPRGKRZSA-N 1 1 312.366 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C[C@H](C)O ZINC000289772953 221216290 /nfs/dbraw/zinc/21/62/90/221216290.db2.gz LKEMCJFDVSCCDO-LBPRGKRZSA-N 1 1 312.366 1.557 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCNC1 ZINC000423193936 533446413 /nfs/dbraw/zinc/44/64/13/533446413.db2.gz RCQRFWBUISWOOY-WCQYABFASA-N 1 1 306.366 1.654 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000068203038 406623465 /nfs/dbraw/zinc/62/34/65/406623465.db2.gz UJBDVVJBXVMRNI-NWDGAFQWSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000071899148 406863705 /nfs/dbraw/zinc/86/37/05/406863705.db2.gz ASHWNSQRMRKDKB-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013693510 406865798 /nfs/dbraw/zinc/86/57/98/406865798.db2.gz YARVDZYYGDSMRB-UHFFFAOYSA-N 1 1 315.333 1.291 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000055899617 407208043 /nfs/dbraw/zinc/20/80/43/407208043.db2.gz FKQDJMHURCQWBS-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000123361592 407327000 /nfs/dbraw/zinc/32/70/00/407327000.db2.gz NLBNAQXTZWUNSH-SNVBAGLBSA-N 1 1 321.337 1.262 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000123383989 407327132 /nfs/dbraw/zinc/32/71/32/407327132.db2.gz DRDXDQFNYBQQNK-VIFPVBQESA-N 1 1 317.342 1.012 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000124708143 407367154 /nfs/dbraw/zinc/36/71/54/407367154.db2.gz IJIFRITWZGZUGH-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000112618966 407433490 /nfs/dbraw/zinc/43/34/90/407433490.db2.gz HRDJQEOBEVXVAZ-LBPRGKRZSA-N 1 1 314.407 1.892 20 5 DDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(C)(=O)=O ZINC000112618966 407433492 /nfs/dbraw/zinc/43/34/92/407433492.db2.gz HRDJQEOBEVXVAZ-LBPRGKRZSA-N 1 1 314.407 1.892 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000113196892 407474255 /nfs/dbraw/zinc/47/42/55/407474255.db2.gz XEXCATKZZGNSFQ-GFCCVEGCSA-N 1 1 323.397 1.631 20 5 DDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170731159 407483058 /nfs/dbraw/zinc/48/30/58/407483058.db2.gz JLQIOGVKYFKFOT-ZDUSSCGKSA-N 1 1 321.377 1.951 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152157879 407574997 /nfs/dbraw/zinc/57/49/97/407574997.db2.gz KJYYPVXACNEDEP-UHFFFAOYSA-N 1 1 306.771 1.773 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859380 407630749 /nfs/dbraw/zinc/63/07/49/407630749.db2.gz MTPDTPFZIALKRA-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859380 407630753 /nfs/dbraw/zinc/63/07/53/407630753.db2.gz MTPDTPFZIALKRA-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230987544 407691637 /nfs/dbraw/zinc/69/16/37/407691637.db2.gz BCANSLFIPHPDDV-UHFFFAOYSA-N 1 1 321.786 1.229 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000171676479 407739499 /nfs/dbraw/zinc/73/94/99/407739499.db2.gz PCIWHOPMDKMVMR-UHFFFAOYSA-N 1 1 307.354 1.048 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000171676479 407739507 /nfs/dbraw/zinc/73/95/07/407739507.db2.gz PCIWHOPMDKMVMR-UHFFFAOYSA-N 1 1 307.354 1.048 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117285306 407821342 /nfs/dbraw/zinc/82/13/42/407821342.db2.gz FGDIXTBUUWOYKO-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117285306 407821348 /nfs/dbraw/zinc/82/13/48/407821348.db2.gz FGDIXTBUUWOYKO-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866038 407957995 /nfs/dbraw/zinc/95/79/95/407957995.db2.gz KPSHJFXDYIEGPH-RYUDHWBXSA-N 1 1 321.381 1.391 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866038 407958000 /nfs/dbraw/zinc/95/80/00/407958000.db2.gz KPSHJFXDYIEGPH-RYUDHWBXSA-N 1 1 321.381 1.391 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000181215048 407967567 /nfs/dbraw/zinc/96/75/67/407967567.db2.gz TYMIEASKASKGFI-AAEUAGOBSA-N 1 1 318.377 1.733 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546642 407976391 /nfs/dbraw/zinc/97/63/91/407976391.db2.gz KEYPDMKEBPEMJK-NEPJUHHUSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546642 407976393 /nfs/dbraw/zinc/97/63/93/407976393.db2.gz KEYPDMKEBPEMJK-NEPJUHHUSA-N 1 1 307.350 1.260 20 5 DDBDMO CN(CCCN1CC[NH+](C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000174729880 407982653 /nfs/dbraw/zinc/98/26/53/407982653.db2.gz WSVLPAGDAFIWMJ-UHFFFAOYSA-N 1 1 324.400 1.803 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175092037 408049285 /nfs/dbraw/zinc/04/92/85/408049285.db2.gz UFGDEIRBOLVBEN-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO CC1CC[NH+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000136162145 408084140 /nfs/dbraw/zinc/08/41/40/408084140.db2.gz MIJHMEKOLATQLI-UHFFFAOYSA-N 1 1 309.370 1.560 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155943523 408227919 /nfs/dbraw/zinc/22/79/19/408227919.db2.gz HUBJICSKXCWNDC-GWCFXTLKSA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155943523 408227925 /nfs/dbraw/zinc/22/79/25/408227925.db2.gz HUBJICSKXCWNDC-GWCFXTLKSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246673396 408315327 /nfs/dbraw/zinc/31/53/27/408315327.db2.gz IBVQYERAMSWKOL-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246673396 408315332 /nfs/dbraw/zinc/31/53/32/408315332.db2.gz IBVQYERAMSWKOL-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151263371 408285535 /nfs/dbraw/zinc/28/55/35/408285535.db2.gz YKOPIYRYUANKRR-OAHLLOKOSA-N 1 1 320.393 1.805 20 5 DDBDMO Cc1ccc(NC(=O)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176190644 408303054 /nfs/dbraw/zinc/30/30/54/408303054.db2.gz VUFROPXLDAFQFJ-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO Cc1ccc(NC(=O)C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176190644 408303062 /nfs/dbraw/zinc/30/30/62/408303062.db2.gz VUFROPXLDAFQFJ-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190874318 408336242 /nfs/dbraw/zinc/33/62/42/408336242.db2.gz WGOCPRNAGCYJAW-VHSXEESVSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000190874318 408336247 /nfs/dbraw/zinc/33/62/47/408336247.db2.gz WGOCPRNAGCYJAW-VHSXEESVSA-N 1 1 302.758 1.812 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000134141522 162071853 /nfs/dbraw/zinc/07/18/53/162071853.db2.gz ZNCDXYRYLWYEOQ-NSHDSACASA-N 1 1 321.352 1.877 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183186181 408348396 /nfs/dbraw/zinc/34/83/96/408348396.db2.gz SNKOIZSTJNTCCX-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000183186181 408348397 /nfs/dbraw/zinc/34/83/97/408348397.db2.gz SNKOIZSTJNTCCX-VXGBXAGGSA-N 1 1 307.350 1.544 20 5 DDBDMO COc1cc(C[N@@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000191168115 408381446 /nfs/dbraw/zinc/38/14/46/408381446.db2.gz BQAXRCAAJSNJIG-UHFFFAOYSA-N 1 1 310.350 1.815 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247377978 408459337 /nfs/dbraw/zinc/45/93/37/408459337.db2.gz VOFRVNBOCMZUAN-KGLIPLIRSA-N 1 1 307.394 1.524 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176612728 408404224 /nfs/dbraw/zinc/40/42/24/408404224.db2.gz AKEUCSWDNHJMHS-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421240 408528125 /nfs/dbraw/zinc/52/81/25/408528125.db2.gz GDVVUGMASBDFLJ-MFKMUULPSA-N 1 1 307.350 1.429 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188575 408573291 /nfs/dbraw/zinc/57/32/91/408573291.db2.gz KFGYOVYWWKQZHJ-ZDUSSCGKSA-N 1 1 321.425 1.984 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000264609583 408540470 /nfs/dbraw/zinc/54/04/70/408540470.db2.gz ZDAMVITUNCKZRT-CYBMUJFWSA-N 1 1 307.350 1.354 20 5 DDBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000184498486 408630191 /nfs/dbraw/zinc/63/01/91/408630191.db2.gz OCSHAEYGQLDDFB-ZDUSSCGKSA-N 1 1 324.381 1.845 20 5 DDBDMO CC[N@@H+](CCO)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000184544036 408640774 /nfs/dbraw/zinc/64/07/74/408640774.db2.gz PPCUTFMEGSDKDW-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO CCN(CCO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000184544036 408640779 /nfs/dbraw/zinc/64/07/79/408640779.db2.gz PPCUTFMEGSDKDW-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000192820570 408656569 /nfs/dbraw/zinc/65/65/69/408656569.db2.gz HFDYUOJMAWLYAP-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO C[N@H+](CCCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000276460260 408862961 /nfs/dbraw/zinc/86/29/61/408862961.db2.gz XIOAHXPWMNAPEE-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO C[N@@H+](CCCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000276460260 408862963 /nfs/dbraw/zinc/86/29/63/408862963.db2.gz XIOAHXPWMNAPEE-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286072320 408918182 /nfs/dbraw/zinc/91/81/82/408918182.db2.gz VHIPUAMACQNBNY-LBPRGKRZSA-N 1 1 321.381 1.845 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192496903 163225599 /nfs/dbraw/zinc/22/55/99/163225599.db2.gz QWUQCDVWTPLAAR-PHIMTYICSA-N 1 1 309.753 1.882 20 5 DDBDMO C[N@@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192850358 163240025 /nfs/dbraw/zinc/24/00/25/163240025.db2.gz KVVIHGPJPLQFQT-UHFFFAOYSA-N 1 1 313.379 1.062 20 5 DDBDMO C[N@H+]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192850358 163240026 /nfs/dbraw/zinc/24/00/26/163240026.db2.gz KVVIHGPJPLQFQT-UHFFFAOYSA-N 1 1 313.379 1.062 20 5 DDBDMO C[N@@H+](C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292080319 408976067 /nfs/dbraw/zinc/97/60/67/408976067.db2.gz FOFQSUXVXIFLNR-ZDUSSCGKSA-N 1 1 307.394 1.875 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]2C1 ZINC000279194208 409168138 /nfs/dbraw/zinc/16/81/38/409168138.db2.gz KKQRJSWXPFZLMK-PHIMTYICSA-N 1 1 309.753 1.882 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])cc1OC ZINC000294125099 409244726 /nfs/dbraw/zinc/24/47/26/409244726.db2.gz UCBDVWGCYSNRNK-LBPRGKRZSA-N 1 1 310.350 1.959 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@H](O)CC2)c([N+](=O)[O-])cc1OC ZINC000294125099 409244729 /nfs/dbraw/zinc/24/47/29/409244729.db2.gz UCBDVWGCYSNRNK-LBPRGKRZSA-N 1 1 310.350 1.959 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000296079293 409421149 /nfs/dbraw/zinc/42/11/49/409421149.db2.gz SJECWKPHFWJAIH-FGWVZKOKSA-N 1 1 320.349 1.814 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295307461 409424050 /nfs/dbraw/zinc/42/40/50/409424050.db2.gz FSZXYKGUUZMDTI-CVEARBPZSA-N 1 1 321.377 1.379 20 5 DDBDMO C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000296140937 409444091 /nfs/dbraw/zinc/44/40/91/409444091.db2.gz CRAQVAKKRUMBKY-TXEJJXNPSA-N 1 1 306.366 1.829 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000317712456 164029111 /nfs/dbraw/zinc/02/91/11/164029111.db2.gz MAJFDPZOWRFMIF-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000317712456 164029114 /nfs/dbraw/zinc/02/91/14/164029114.db2.gz MAJFDPZOWRFMIF-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO CNc1c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000318614215 164032826 /nfs/dbraw/zinc/03/28/26/164032826.db2.gz JBPICLVSDFZJQV-SNVBAGLBSA-N 1 1 306.366 1.849 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000324174992 164050193 /nfs/dbraw/zinc/05/01/93/164050193.db2.gz WFYGKBDOCUKSOM-AWEZNQCLSA-N 1 1 317.349 1.308 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408114604 164232885 /nfs/dbraw/zinc/23/28/85/164232885.db2.gz YGBGQZVWPBUQLB-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408114604 164232887 /nfs/dbraw/zinc/23/28/87/164232887.db2.gz YGBGQZVWPBUQLB-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO Cc1nccn1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342604859 409760454 /nfs/dbraw/zinc/76/04/54/409760454.db2.gz FXKTZMKAVIHLED-ZDUSSCGKSA-N 1 1 316.365 1.681 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2)Nc1ccccc1[N+](=O)[O-] ZINC000338380946 409950228 /nfs/dbraw/zinc/95/02/28/409950228.db2.gz XSIHJHFOKZCYOQ-TXEJJXNPSA-N 1 1 321.333 1.023 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC[C@H](C1)O2)Nc1ccccc1[N+](=O)[O-] ZINC000338380946 409950233 /nfs/dbraw/zinc/95/02/33/409950233.db2.gz XSIHJHFOKZCYOQ-TXEJJXNPSA-N 1 1 321.333 1.023 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccncc3[N+](=O)[O-])C2)C1 ZINC000297883129 410037575 /nfs/dbraw/zinc/03/75/75/410037575.db2.gz VYUGSGFDBIFBLQ-HNNXBMFYSA-N 1 1 319.365 1.939 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000332309873 410057837 /nfs/dbraw/zinc/05/78/37/410057837.db2.gz XCILZTUMELFCTK-QWHCGFSZSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C)CC1 ZINC000298628173 410321852 /nfs/dbraw/zinc/32/18/52/410321852.db2.gz GUCYLDYTFBQEOG-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343432244 410448576 /nfs/dbraw/zinc/44/85/76/410448576.db2.gz KLEQWZGKIDVONH-MFKMUULPSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000343415857 410432280 /nfs/dbraw/zinc/43/22/80/410432280.db2.gz LPVLZNPDNXGZJM-UMVBOHGHSA-N 1 1 324.377 1.427 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299098840 410522219 /nfs/dbraw/zinc/52/22/19/410522219.db2.gz PZKORPBSGAPPDF-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480434 410576228 /nfs/dbraw/zinc/57/62/28/410576228.db2.gz RCPNUUPTIDFHAB-OLZOCXBDSA-N 1 1 312.366 1.427 20 5 DDBDMO Cc1c(NC(=O)CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000359305465 410592861 /nfs/dbraw/zinc/59/28/61/410592861.db2.gz LCIQGKZSBDLDPQ-STQMWFEESA-N 1 1 318.377 1.383 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000343583283 410551764 /nfs/dbraw/zinc/55/17/64/410551764.db2.gz YGRYMVDBIFJLKQ-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343719438 410643284 /nfs/dbraw/zinc/64/32/84/410643284.db2.gz CZLLPQJUQRXBKB-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719438 410643291 /nfs/dbraw/zinc/64/32/91/410643291.db2.gz CZLLPQJUQRXBKB-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719438 410643297 /nfs/dbraw/zinc/64/32/97/410643297.db2.gz CZLLPQJUQRXBKB-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947445 410837131 /nfs/dbraw/zinc/83/71/31/410837131.db2.gz YALMSGCNRAFHPW-NSHDSACASA-N 1 1 304.354 1.924 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000343952820 410844582 /nfs/dbraw/zinc/84/45/82/410844582.db2.gz BQQWCTUQONNCHW-JTQLQIEISA-N 1 1 307.354 1.375 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667351 410863925 /nfs/dbraw/zinc/86/39/25/410863925.db2.gz IUQOJZKRNTXDDC-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667351 410863929 /nfs/dbraw/zinc/86/39/29/410863929.db2.gz IUQOJZKRNTXDDC-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1CN(C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000330667351 410863932 /nfs/dbraw/zinc/86/39/32/410863932.db2.gz IUQOJZKRNTXDDC-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344055657 410922982 /nfs/dbraw/zinc/92/29/82/410922982.db2.gz KUSVPNXLTQARLO-BAESOJJISA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344127847 410973982 /nfs/dbraw/zinc/97/39/82/410973982.db2.gz KDROLZXLTLMFNA-CHWSQXEVSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000344127847 410973984 /nfs/dbraw/zinc/97/39/84/410973984.db2.gz KDROLZXLTLMFNA-CHWSQXEVSA-N 1 1 321.377 1.650 20 5 DDBDMO CC[N@@H+](C)CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494857 411031127 /nfs/dbraw/zinc/03/11/27/411031127.db2.gz GHELZFQKHSRGEV-HNNXBMFYSA-N 1 1 317.393 1.959 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000360256297 411114240 /nfs/dbraw/zinc/11/42/40/411114240.db2.gz FKMBFQJJFSNNOS-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000360256297 411114243 /nfs/dbraw/zinc/11/42/43/411114243.db2.gz FKMBFQJJFSNNOS-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000134398703 196386276 /nfs/dbraw/zinc/38/62/76/196386276.db2.gz JXSVOWXRCXRIDS-AWEZNQCLSA-N 1 1 323.393 1.896 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000520780149 416976290 /nfs/dbraw/zinc/97/62/90/416976290.db2.gz FSJVPJRHOPMGMV-JTQLQIEISA-N 1 1 309.370 1.492 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419335000 226121975 /nfs/dbraw/zinc/12/19/75/226121975.db2.gz VYAZMLAXPPUEJS-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420940657 226597421 /nfs/dbraw/zinc/59/74/21/226597421.db2.gz NAVSSGOONGCSGG-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420940657 226597424 /nfs/dbraw/zinc/59/74/24/226597424.db2.gz NAVSSGOONGCSGG-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373809448 418462445 /nfs/dbraw/zinc/46/24/45/418462445.db2.gz JENQDCOINKARCE-OAHLLOKOSA-N 1 1 324.381 1.451 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189558593 222047433 /nfs/dbraw/zinc/04/74/33/222047433.db2.gz AKILFUQAIZUYFN-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375025228 418590480 /nfs/dbraw/zinc/59/04/80/418590480.db2.gz YNFVPYGAQJSDTH-UKRRQHHQSA-N 1 1 318.377 1.830 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000375331649 418630198 /nfs/dbraw/zinc/63/01/98/418630198.db2.gz IUSWRMIFSWAVQI-GFCCVEGCSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000375331649 418630202 /nfs/dbraw/zinc/63/02/02/418630202.db2.gz IUSWRMIFSWAVQI-GFCCVEGCSA-N 1 1 303.322 1.642 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368068001 418683927 /nfs/dbraw/zinc/68/39/27/418683927.db2.gz DNJFVCBVITVRAC-MRXNPFEDSA-N 1 1 321.377 1.534 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368138689 418695433 /nfs/dbraw/zinc/69/54/33/418695433.db2.gz KJLVTPWBKGNQCR-AWEZNQCLSA-N 1 1 301.350 1.751 20 5 DDBDMO CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420961016 419388404 /nfs/dbraw/zinc/38/84/04/419388404.db2.gz SCKCXUKQBYWHBT-GFCCVEGCSA-N 1 1 320.349 1.134 20 5 DDBDMO CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915446 419369369 /nfs/dbraw/zinc/36/93/69/419369369.db2.gz HHQVQVAKCIJVMZ-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915446 419369375 /nfs/dbraw/zinc/36/93/75/419369375.db2.gz HHQVQVAKCIJVMZ-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000420966308 419387389 /nfs/dbraw/zinc/38/73/89/419387389.db2.gz VBLOFDOAZGSXIY-UKRRQHHQSA-N 1 1 308.382 1.664 20 5 DDBDMO Cc1ccc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418112745 419541234 /nfs/dbraw/zinc/54/12/34/419541234.db2.gz LNOXLYBBJPMREP-KGLIPLIRSA-N 1 1 307.394 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412063464 419607849 /nfs/dbraw/zinc/60/78/49/419607849.db2.gz BBSACGKTVXDMOM-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412063464 419607861 /nfs/dbraw/zinc/60/78/61/419607861.db2.gz BBSACGKTVXDMOM-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)n1 ZINC000427844434 419750534 /nfs/dbraw/zinc/75/05/34/419750534.db2.gz CUKBEFAKMNOQFE-VXGBXAGGSA-N 1 1 323.397 1.756 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000299419023 229106430 /nfs/dbraw/zinc/10/64/30/229106430.db2.gz UBFLCHFHUYCGEW-UHFFFAOYSA-N 1 1 303.322 1.502 20 5 DDBDMO CC(=O)c1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418991938 420040000 /nfs/dbraw/zinc/04/00/00/420040000.db2.gz FFMVPCCEODGBFM-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418991938 420040003 /nfs/dbraw/zinc/04/00/03/420040003.db2.gz FFMVPCCEODGBFM-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO COc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000418996549 420041374 /nfs/dbraw/zinc/04/13/74/420041374.db2.gz FJSNLTQUGGGNER-NEPJUHHUSA-N 1 1 309.366 1.495 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444705 420052435 /nfs/dbraw/zinc/05/24/35/420052435.db2.gz XCPRIMBVHOWPPH-GCVYGYKWSA-N 1 1 304.350 1.119 20 5 DDBDMO Cc1c(CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000423679522 420124274 /nfs/dbraw/zinc/12/42/74/420124274.db2.gz KNNQVBDOTFKPGD-OAHLLOKOSA-N 1 1 309.341 1.606 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(CCO)CCOCC1 ZINC000430226462 420091998 /nfs/dbraw/zinc/09/19/98/420091998.db2.gz MWJQDAJJQUMGRK-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416298472 420316098 /nfs/dbraw/zinc/31/60/98/420316098.db2.gz QXAOPILEGCUHOQ-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416298472 420316101 /nfs/dbraw/zinc/31/61/01/420316101.db2.gz QXAOPILEGCUHOQ-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000420590588 420325537 /nfs/dbraw/zinc/32/55/37/420325537.db2.gz VUFNGXOBNLBSIO-QWRGUYRKSA-N 1 1 304.350 1.732 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420636991 420337303 /nfs/dbraw/zinc/33/73/03/420337303.db2.gz OCPSXSXTIOJVFG-NSHDSACASA-N 1 1 317.349 1.774 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000420824937 420404722 /nfs/dbraw/zinc/40/47/22/420404722.db2.gz YDDUSOHYZVWGMI-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457082229 420604490 /nfs/dbraw/zinc/60/44/90/420604490.db2.gz WIONOLDNWIXIPR-UHFFFAOYSA-N 1 1 323.397 1.480 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450947098 420566498 /nfs/dbraw/zinc/56/64/98/420566498.db2.gz BALUAASOQXGORI-CYBMUJFWSA-N 1 1 320.393 1.873 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459682952 420844761 /nfs/dbraw/zinc/84/47/61/420844761.db2.gz FJPRSIVYNTUKFQ-TZMCWYRMSA-N 1 1 310.350 1.167 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459682952 420844764 /nfs/dbraw/zinc/84/47/64/420844764.db2.gz FJPRSIVYNTUKFQ-TZMCWYRMSA-N 1 1 310.350 1.167 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454143551 420805436 /nfs/dbraw/zinc/80/54/36/420805436.db2.gz ZQWKUWDICWHXSL-GXFFZTMASA-N 1 1 320.349 1.771 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493298962 420812459 /nfs/dbraw/zinc/81/24/59/420812459.db2.gz ZTFULIUITSYUIV-CFHLNLSMSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493298962 420812461 /nfs/dbraw/zinc/81/24/61/420812461.db2.gz ZTFULIUITSYUIV-CFHLNLSMSA-N 1 1 319.361 1.133 20 5 DDBDMO CC1(C)[NH2+]CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449749698 421074918 /nfs/dbraw/zinc/07/49/18/421074918.db2.gz GSJFRTDPOGCROD-LLVKDONJSA-N 1 1 303.322 1.341 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456317272 421141272 /nfs/dbraw/zinc/14/12/72/421141272.db2.gz HUKPOVQHGPSXMS-YOGCLGLASA-N 1 1 304.350 1.653 20 5 DDBDMO CC[N@@H+](C)CCNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000450277213 421176589 /nfs/dbraw/zinc/17/65/89/421176589.db2.gz LAKDGWCKXONNDE-UHFFFAOYSA-N 1 1 304.350 1.937 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000522901424 421226691 /nfs/dbraw/zinc/22/66/91/421226691.db2.gz YPTZQMBOIQYONW-LLVKDONJSA-N 1 1 309.370 1.097 20 5 DDBDMO C[C@@]1(CO)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000546102804 421284824 /nfs/dbraw/zinc/28/48/24/421284824.db2.gz MTNGUYTVUCFGDC-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000546102804 421284826 /nfs/dbraw/zinc/28/48/26/421284826.db2.gz MTNGUYTVUCFGDC-HNNXBMFYSA-N 1 1 318.333 1.992 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000527523033 421393763 /nfs/dbraw/zinc/39/37/63/421393763.db2.gz KPCSTCKZXXWJOF-UHFFFAOYSA-N 1 1 304.350 1.656 20 5 DDBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548955262 421488085 /nfs/dbraw/zinc/48/80/85/421488085.db2.gz ZACBQHAHPAFBLT-QWHCGFSZSA-N 1 1 315.333 1.493 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516379332 421542974 /nfs/dbraw/zinc/54/29/74/421542974.db2.gz IAYHNTOFSBYVOH-SNVBAGLBSA-N 1 1 321.333 1.538 20 5 DDBDMO CCN1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173111 421599013 /nfs/dbraw/zinc/59/90/13/421599013.db2.gz QGODVACJGFNOSE-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO CCN1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173111 421599016 /nfs/dbraw/zinc/59/90/16/421599016.db2.gz QGODVACJGFNOSE-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173111 421599017 /nfs/dbraw/zinc/59/90/17/421599017.db2.gz QGODVACJGFNOSE-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173111 421599019 /nfs/dbraw/zinc/59/90/19/421599019.db2.gz QGODVACJGFNOSE-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C)[nH+]cc1C ZINC000535748468 421710775 /nfs/dbraw/zinc/71/07/75/421710775.db2.gz IAORQLCWZWZLRR-UHFFFAOYSA-N 1 1 303.322 1.562 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000582218202 422129924 /nfs/dbraw/zinc/12/99/24/422129924.db2.gz HRTDYUAZAPNKJI-ZDUSSCGKSA-N 1 1 321.377 1.740 20 5 DDBDMO COC(C)(C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574940145 422220889 /nfs/dbraw/zinc/22/08/89/422220889.db2.gz WPKWGEVLDLEISV-LBPRGKRZSA-N 1 1 312.366 1.691 20 5 DDBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000114726424 263337895 /nfs/dbraw/zinc/33/78/95/263337895.db2.gz CLRAUQLTURPLIU-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000114726424 263337898 /nfs/dbraw/zinc/33/78/98/263337898.db2.gz CLRAUQLTURPLIU-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293462508 274267092 /nfs/dbraw/zinc/26/70/92/274267092.db2.gz DHMVMWFIHRANJD-SECBINFHSA-N 1 1 322.283 1.789 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000292707590 277073006 /nfs/dbraw/zinc/07/30/06/277073006.db2.gz GNGHZQNMWICZQI-OAHLLOKOSA-N 1 1 319.365 1.011 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247318444 277181492 /nfs/dbraw/zinc/18/14/92/277181492.db2.gz SCUBNYFGNCYQMZ-JSGCOSHPSA-N 1 1 321.381 1.124 20 5 DDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261783993 279969856 /nfs/dbraw/zinc/96/98/56/279969856.db2.gz XCTOCCKWCFBMTC-IUCAKERBSA-N 1 1 317.342 1.153 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)Cn2cccn2)C2CC2)cc1 ZINC000179520980 280363542 /nfs/dbraw/zinc/36/35/42/280363542.db2.gz XRDTZRGJCRKCEC-MRXNPFEDSA-N 1 1 316.361 1.817 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125399945 281190679 /nfs/dbraw/zinc/19/06/79/281190679.db2.gz DHDIXYGCFMVVKX-WDEREUQCSA-N 1 1 307.354 1.027 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126074278 281225638 /nfs/dbraw/zinc/22/56/38/281225638.db2.gz SMHWWKJPEYKESD-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000126074278 281225639 /nfs/dbraw/zinc/22/56/39/281225639.db2.gz SMHWWKJPEYKESD-ZDUSSCGKSA-N 1 1 307.350 1.695 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000357035899 298947375 /nfs/dbraw/zinc/94/73/75/298947375.db2.gz JHWWBMXGEAYWCK-VXGBXAGGSA-N 1 1 308.382 1.711 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362072584 300000500 /nfs/dbraw/zinc/00/05/00/300000500.db2.gz OVIGEHNKKJIUOL-WDEREUQCSA-N 1 1 323.349 1.102 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362072584 300000502 /nfs/dbraw/zinc/00/05/02/300000502.db2.gz OVIGEHNKKJIUOL-WDEREUQCSA-N 1 1 323.349 1.102 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363026612 300200504 /nfs/dbraw/zinc/20/05/04/300200504.db2.gz JVZMEJZCHFFVGX-ZFWWWQNUSA-N 1 1 303.362 1.880 20 5 DDBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000363129519 300216730 /nfs/dbraw/zinc/21/67/30/300216730.db2.gz IBEJEERRPAGKSD-NSHDSACASA-N 1 1 304.354 1.126 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000370148574 301283792 /nfs/dbraw/zinc/28/37/92/301283792.db2.gz BFQHNSYPOOGNPN-DAXOMENPSA-N 1 1 305.378 1.654 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)n1 ZINC000370654372 301376384 /nfs/dbraw/zinc/37/63/84/301376384.db2.gz RYHNIAWPKBXTFQ-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377609305 302198001 /nfs/dbraw/zinc/19/80/01/302198001.db2.gz YAMCTOPAPXSLHG-LLVKDONJSA-N 1 1 307.350 1.691 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641910 302360049 /nfs/dbraw/zinc/36/00/49/302360049.db2.gz XMMALNVQKMATHG-VXGBXAGGSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641910 302360050 /nfs/dbraw/zinc/36/00/50/302360050.db2.gz XMMALNVQKMATHG-VXGBXAGGSA-N 1 1 307.350 1.484 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362091389 307014156 /nfs/dbraw/zinc/01/41/56/307014156.db2.gz UQBLICXTDQIMAN-AAEUAGOBSA-N 1 1 321.377 1.792 20 5 DDBDMO CC1CCC([NH+]2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000363673370 307032934 /nfs/dbraw/zinc/03/29/34/307032934.db2.gz CBDKHKHILKBMRE-RIXNLZLZSA-N 1 1 309.410 1.811 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000365194452 307061713 /nfs/dbraw/zinc/06/17/13/307061713.db2.gz DEBNVBQEPMUKSX-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366304605 307070470 /nfs/dbraw/zinc/07/04/70/307070470.db2.gz ANBYSSWQTDZQJO-JKOKRWQUSA-N 1 1 317.345 1.559 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371834245 307158508 /nfs/dbraw/zinc/15/85/08/307158508.db2.gz IFIRIDZIFBDQML-UKRRQHHQSA-N 1 1 305.378 1.981 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371834245 307158509 /nfs/dbraw/zinc/15/85/09/307158509.db2.gz IFIRIDZIFBDQML-UKRRQHHQSA-N 1 1 305.378 1.981 20 5 DDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373107708 307178952 /nfs/dbraw/zinc/17/89/52/307178952.db2.gz WBPSBGHYKJVNMN-HIFRSBDPSA-N 1 1 324.381 1.971 20 5 DDBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373107707 307178967 /nfs/dbraw/zinc/17/89/67/307178967.db2.gz WBPSBGHYKJVNMN-DZGCQCFKSA-N 1 1 324.381 1.971 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000373195360 307181299 /nfs/dbraw/zinc/18/12/99/307181299.db2.gz IATWOROKAYXEES-UHFFFAOYSA-N 1 1 320.349 1.396 20 5 DDBDMO O=C1NCC[C@H]1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192653 308273367 /nfs/dbraw/zinc/27/33/67/308273367.db2.gz JMIKJCRHCFVURF-NWDGAFQWSA-N 1 1 319.365 1.002 20 5 DDBDMO Cc1nn(C)c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488736626 484216664 /nfs/dbraw/zinc/21/66/64/484216664.db2.gz VIZKZPOXXSEUNP-GMXVVIOVSA-N 1 1 307.398 1.803 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357540309 484508924 /nfs/dbraw/zinc/50/89/24/484508924.db2.gz XBOUCIATZSDQAZ-MNOVXSKESA-N 1 1 321.381 1.398 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816303 533844477 /nfs/dbraw/zinc/84/44/77/533844477.db2.gz ADQQDBQSJZQXCX-NEPJUHHUSA-N 1 1 307.350 1.626 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000413448068 534245612 /nfs/dbraw/zinc/24/56/12/534245612.db2.gz WIPSJWPFJVCANC-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])cn2)cn1 ZINC000302151380 534767662 /nfs/dbraw/zinc/76/76/62/534767662.db2.gz KRDGWGZVFMMLKK-UHFFFAOYSA-N 1 1 311.305 1.886 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491412904 534773099 /nfs/dbraw/zinc/77/30/99/534773099.db2.gz AYMMXEUKAWMSJO-AATRIKPKSA-N 1 1 300.318 1.929 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000457715347 528983236 /nfs/dbraw/zinc/98/32/36/528983236.db2.gz FECNFFXDBMRDHE-UHFFFAOYSA-N 1 1 306.366 1.240 20 5 DDBDMO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000824994185 608555023 /nfs/dbraw/zinc/55/50/23/608555023.db2.gz UBYRWGVADQRACN-ZJUUUORDSA-N 1 1 317.353 1.304 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000050900128 696235135 /nfs/dbraw/zinc/23/51/35/696235135.db2.gz BBEBSEJGPCXGMI-ZDUSSCGKSA-N 1 1 323.397 1.604 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000050900128 696235137 /nfs/dbraw/zinc/23/51/37/696235137.db2.gz BBEBSEJGPCXGMI-ZDUSSCGKSA-N 1 1 323.397 1.604 20 5 DDBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054371033 696275570 /nfs/dbraw/zinc/27/55/70/696275570.db2.gz KINBDDOBPHTGDM-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO CCOC(=O)CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000747817292 700087853 /nfs/dbraw/zinc/08/78/53/700087853.db2.gz YASFHEMLYRIEON-UHFFFAOYSA-N 1 1 310.354 1.804 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)C(C)C ZINC000104884066 696621602 /nfs/dbraw/zinc/62/16/02/696621602.db2.gz ZXVVTZDHUURUFG-UHFFFAOYSA-N 1 1 308.382 1.946 20 5 DDBDMO C[C@H]1CCC[N@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678493 700176302 /nfs/dbraw/zinc/17/63/02/700176302.db2.gz SRUWIYVQWAKQAH-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749678493 700176304 /nfs/dbraw/zinc/17/63/04/700176304.db2.gz SRUWIYVQWAKQAH-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776588824 698123093 /nfs/dbraw/zinc/12/30/93/698123093.db2.gz CFHPUYIXBYEGLS-BBRMVZONSA-N 1 1 307.394 1.902 20 5 DDBDMO O=C1NCC2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)O1 ZINC000781996050 698670702 /nfs/dbraw/zinc/67/07/02/698670702.db2.gz XYDBTCMSQUIZOH-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO NC(=[NH+]OCCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000782332727 698710027 /nfs/dbraw/zinc/71/00/27/698710027.db2.gz PVYRKJHZEWVZLI-UHFFFAOYSA-N 1 1 309.322 1.899 20 5 DDBDMO CC[C@@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782860963 698774080 /nfs/dbraw/zinc/77/40/80/698774080.db2.gz TWSGEGHAGLQZPT-GFCCVEGCSA-N 1 1 321.381 1.644 20 5 DDBDMO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000782961991 698789724 /nfs/dbraw/zinc/78/97/24/698789724.db2.gz LOEQTNSNJHIQNF-CQSZACIVSA-N 1 1 320.349 1.639 20 5 DDBDMO COCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000782961991 698789727 /nfs/dbraw/zinc/78/97/27/698789727.db2.gz LOEQTNSNJHIQNF-CQSZACIVSA-N 1 1 320.349 1.639 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000787328290 699206287 /nfs/dbraw/zinc/20/62/87/699206287.db2.gz QKQBRDZKFRECBF-GDLCADMTSA-N 1 1 308.334 1.512 20 5 DDBDMO O=C1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCN1 ZINC000728899502 699459507 /nfs/dbraw/zinc/45/95/07/699459507.db2.gz ICNOTPDOKSQNLU-UHFFFAOYSA-N 1 1 315.333 1.238 20 5 DDBDMO O=C1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCN1 ZINC000728899502 699459513 /nfs/dbraw/zinc/45/95/13/699459513.db2.gz ICNOTPDOKSQNLU-UHFFFAOYSA-N 1 1 315.333 1.238 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865492 699719596 /nfs/dbraw/zinc/71/95/96/699719596.db2.gz CALJQEVQJMMQGM-ONGXEEELSA-N 1 1 322.321 1.589 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000796081344 699910992 /nfs/dbraw/zinc/91/09/92/699910992.db2.gz TUNPYINNYUAFOV-HZPDHXFCSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000796081344 699910994 /nfs/dbraw/zinc/91/09/94/699910994.db2.gz TUNPYINNYUAFOV-HZPDHXFCSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000754208650 700489725 /nfs/dbraw/zinc/48/97/25/700489725.db2.gz GUOMWUBCRIWAJZ-UHFFFAOYSA-N 1 1 318.293 1.153 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CCCC[N@H+]2C)n1 ZINC000755575160 700571636 /nfs/dbraw/zinc/57/16/36/700571636.db2.gz VDNMCJQVRVFQQY-LLVKDONJSA-N 1 1 310.354 1.842 20 5 DDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000755980972 700597247 /nfs/dbraw/zinc/59/72/47/700597247.db2.gz YEGUUMFXYPHVIX-AWEZNQCLSA-N 1 1 314.313 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761072090 700838982 /nfs/dbraw/zinc/83/89/82/700838982.db2.gz DPSALZQHGCTENT-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761072090 700838983 /nfs/dbraw/zinc/83/89/83/700838983.db2.gz DPSALZQHGCTENT-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761072090 700838986 /nfs/dbraw/zinc/83/89/86/700838986.db2.gz DPSALZQHGCTENT-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n1C ZINC000804451325 701191031 /nfs/dbraw/zinc/19/10/31/701191031.db2.gz GHIRMJQABNXWNQ-UHFFFAOYSA-N 1 1 320.309 1.915 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H]2C)n1 ZINC000804520670 701197254 /nfs/dbraw/zinc/19/72/54/701197254.db2.gz HMIGSVRXFSOQEZ-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000771931023 701337457 /nfs/dbraw/zinc/33/74/57/701337457.db2.gz NTJXFOCBRCXODU-UHFFFAOYSA-N 1 1 304.306 1.755 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000879231055 706622914 /nfs/dbraw/zinc/62/29/14/706622914.db2.gz RRCQDPKLJLBXIK-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014215 701912438 /nfs/dbraw/zinc/91/24/38/701912438.db2.gz IQELVJPGDKOIAB-IAQYHMDHSA-N 1 1 305.334 1.974 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014215 701912440 /nfs/dbraw/zinc/91/24/40/701912440.db2.gz IQELVJPGDKOIAB-IAQYHMDHSA-N 1 1 305.334 1.974 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000866205262 706648094 /nfs/dbraw/zinc/64/80/94/706648094.db2.gz KSZXBAMMVLAMDL-QWRGUYRKSA-N 1 1 302.338 1.168 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000866210126 706649584 /nfs/dbraw/zinc/64/95/84/706649584.db2.gz YFGYRTVUFHDXIL-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000831175134 706649904 /nfs/dbraw/zinc/64/99/04/706649904.db2.gz FVKYSZQPRMFPJK-WCQYABFASA-N 1 1 302.277 1.330 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000816949337 702233000 /nfs/dbraw/zinc/23/30/00/702233000.db2.gz TUIPTCMYZSUVIR-ZWNOBZJWSA-N 1 1 304.350 1.262 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842045982 702663274 /nfs/dbraw/zinc/66/32/74/702663274.db2.gz NYILUWRCWLCHHY-QWRGUYRKSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000842045982 702663275 /nfs/dbraw/zinc/66/32/75/702663275.db2.gz NYILUWRCWLCHHY-QWRGUYRKSA-N 1 1 324.337 1.394 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000879583218 706727621 /nfs/dbraw/zinc/72/76/21/706727621.db2.gz WQDKDLMIMHYUNA-NHYWBVRUSA-N 1 1 315.377 1.997 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCOCCO)C2CCC2)cc1 ZINC000852289831 703997732 /nfs/dbraw/zinc/99/77/32/703997732.db2.gz DHKVJGGSPAUNAN-INIZCTEOSA-N 1 1 324.377 1.492 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852410509 704036714 /nfs/dbraw/zinc/03/67/14/704036714.db2.gz CDPYSWPJECBZCH-HUUCEWRRSA-N 1 1 310.350 1.102 20 5 DDBDMO C[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000818966589 704036740 /nfs/dbraw/zinc/03/67/40/704036740.db2.gz LMSBEZJZEFIANQ-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO COc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1C ZINC000853265484 704226853 /nfs/dbraw/zinc/22/68/53/704226853.db2.gz VPJZYDYZHGOMLM-GFCCVEGCSA-N 1 1 309.366 1.415 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000821955461 704847813 /nfs/dbraw/zinc/84/78/13/704847813.db2.gz RFDCLAXUZKKRFA-HNNXBMFYSA-N 1 1 307.350 1.008 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCC[N@H+](C)C1CC1 ZINC000822272159 704903454 /nfs/dbraw/zinc/90/34/54/704903454.db2.gz JUOQZGMQWRGUJV-UHFFFAOYSA-N 1 1 309.370 1.090 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179374 705163299 /nfs/dbraw/zinc/16/32/99/705163299.db2.gz MMGGOYZBLMYHMD-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179374 705163300 /nfs/dbraw/zinc/16/33/00/705163300.db2.gz MMGGOYZBLMYHMD-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823179374 705163302 /nfs/dbraw/zinc/16/33/02/705163302.db2.gz MMGGOYZBLMYHMD-HZPDHXFCSA-N 1 1 307.394 1.900 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000874827728 705186110 /nfs/dbraw/zinc/18/61/10/705186110.db2.gz SWYYQWWTDQFOBI-KFWWJZLASA-N 1 1 319.361 1.323 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000893877406 710870699 /nfs/dbraw/zinc/87/06/99/710870699.db2.gz WRCHCWUTQHRLMY-HIFRSBDPSA-N 1 1 318.377 1.483 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791307 705731371 /nfs/dbraw/zinc/73/13/71/705731371.db2.gz GDNNAJGYBRMXJC-AWEZNQCLSA-N 1 1 307.350 1.182 20 5 DDBDMO CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000825844531 705736232 /nfs/dbraw/zinc/73/62/32/705736232.db2.gz MCYCXIWNSHGNLL-LSDHHAIUSA-N 1 1 319.361 1.323 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722481 705857772 /nfs/dbraw/zinc/85/77/72/705857772.db2.gz QVTVHFREGAESHG-SMDDNHRTSA-N 1 1 307.350 1.086 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@H]21 ZINC000827278210 705967350 /nfs/dbraw/zinc/96/73/50/705967350.db2.gz VDUYPHRLGNACGD-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827302698 705972239 /nfs/dbraw/zinc/97/22/39/705972239.db2.gz XCFPPVGHDJGRLB-HZMBPMFUSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827302698 705972241 /nfs/dbraw/zinc/97/22/41/705972241.db2.gz XCFPPVGHDJGRLB-HZMBPMFUSA-N 1 1 305.334 1.467 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329457 705976783 /nfs/dbraw/zinc/97/67/83/705976783.db2.gz GPTJISULARIDQJ-QWHCGFSZSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CC[NH2+]CC1=O ZINC000863658566 705978394 /nfs/dbraw/zinc/97/83/94/705978394.db2.gz QLMYIDPXKAIQGD-SECBINFHSA-N 1 1 317.305 1.138 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000828338626 706163101 /nfs/dbraw/zinc/16/31/01/706163101.db2.gz PQGFHSAWHXGOOQ-UHIISALHSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000828338626 706163102 /nfs/dbraw/zinc/16/31/02/706163102.db2.gz PQGFHSAWHXGOOQ-UHIISALHSA-N 1 1 307.350 1.179 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@H]2CCC[N@@H+]2CCCO)nc2ccccn21 ZINC000828422922 706176630 /nfs/dbraw/zinc/17/66/30/706176630.db2.gz SPDBRJKOEHKDDE-GFCCVEGCSA-N 1 1 319.365 1.501 20 5 DDBDMO CN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720370 706188810 /nfs/dbraw/zinc/18/88/10/706188810.db2.gz OUHRDRNAMPEWTN-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720370 706188815 /nfs/dbraw/zinc/18/88/15/706188815.db2.gz OUHRDRNAMPEWTN-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000877789314 706213931 /nfs/dbraw/zinc/21/39/31/706213931.db2.gz IENXCGBOHLGGCA-UONOGXRCSA-N 1 1 324.402 1.504 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000877789314 706213935 /nfs/dbraw/zinc/21/39/35/706213935.db2.gz IENXCGBOHLGGCA-UONOGXRCSA-N 1 1 324.402 1.504 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000829020119 706275089 /nfs/dbraw/zinc/27/50/89/706275089.db2.gz WSQXQVALEDDTMM-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000829020119 706275092 /nfs/dbraw/zinc/27/50/92/706275092.db2.gz WSQXQVALEDDTMM-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057859 706338015 /nfs/dbraw/zinc/33/80/15/706338015.db2.gz FXDTVXVYTQFIDS-MNOVXSKESA-N 1 1 323.324 1.327 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292905 706491465 /nfs/dbraw/zinc/49/14/65/706491465.db2.gz UENYDHHNEJPHFK-OAGGEKHMSA-N 1 1 321.377 1.033 20 5 DDBDMO CCON(CC)C(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865965541 706578873 /nfs/dbraw/zinc/57/88/73/706578873.db2.gz OEFPGXDZIAZBNT-UHFFFAOYSA-N 1 1 318.333 1.777 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134030 706886300 /nfs/dbraw/zinc/88/63/00/706886300.db2.gz LIXPZBIFJYGJHD-UONOGXRCSA-N 1 1 318.377 1.362 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432286 706974123 /nfs/dbraw/zinc/97/41/23/706974123.db2.gz NAQPICPLXRZSMY-KGLIPLIRSA-N 1 1 320.349 1.707 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432286 706974124 /nfs/dbraw/zinc/97/41/24/706974124.db2.gz NAQPICPLXRZSMY-KGLIPLIRSA-N 1 1 320.349 1.707 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832870304 706996953 /nfs/dbraw/zinc/99/69/53/706996953.db2.gz HJAFSZMXKGDSKJ-SMDDNHRTSA-N 1 1 309.366 1.473 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564955 707019959 /nfs/dbraw/zinc/01/99/59/707019959.db2.gz ALSKIPFRDOPQGH-XHDPSFHLSA-N 1 1 308.334 1.574 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000880609574 707039194 /nfs/dbraw/zinc/03/91/94/707039194.db2.gz ORUDHCXTIRONEH-PHIMTYICSA-N 1 1 306.366 1.732 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266961 707356500 /nfs/dbraw/zinc/35/65/00/707356500.db2.gz IUNSXZFYRPVYQN-HUUCEWRRSA-N 1 1 321.377 1.571 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000872271346 707358273 /nfs/dbraw/zinc/35/82/73/707358273.db2.gz NSPFZMJJCOXLJG-OLZOCXBDSA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000872271346 707358279 /nfs/dbraw/zinc/35/82/79/707358279.db2.gz NSPFZMJJCOXLJG-OLZOCXBDSA-N 1 1 316.304 1.984 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837175598 707592334 /nfs/dbraw/zinc/59/23/34/707592334.db2.gz UPPYIFJPUDHEBD-AWEZNQCLSA-N 1 1 321.377 1.619 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000837226244 707601591 /nfs/dbraw/zinc/60/15/91/707601591.db2.gz REYNZYDHJXRFBB-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000882423141 707631464 /nfs/dbraw/zinc/63/14/64/707631464.db2.gz JGGXWVLDQFCLSR-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000882423141 707631467 /nfs/dbraw/zinc/63/14/67/707631467.db2.gz JGGXWVLDQFCLSR-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000882476847 707648099 /nfs/dbraw/zinc/64/80/99/707648099.db2.gz DVQQFFQCFSEFRR-SNVBAGLBSA-N 1 1 323.349 1.436 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000882485671 707656076 /nfs/dbraw/zinc/65/60/76/707656076.db2.gz JVZNITCCGGHANI-LBPRGKRZSA-N 1 1 307.350 1.356 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000838147246 707854335 /nfs/dbraw/zinc/85/43/35/707854335.db2.gz BSRMIMDNLFRXCQ-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1CC1CC1 ZINC000883403049 707991332 /nfs/dbraw/zinc/99/13/32/707991332.db2.gz IVRRSDLSZMZCPC-LBPRGKRZSA-N 1 1 307.325 1.834 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CCCN(C=O)CC2)c([N+](=O)[O-])c1 ZINC000839019351 708016394 /nfs/dbraw/zinc/01/63/94/708016394.db2.gz PYSOHNRVCPXSMA-UHFFFAOYSA-N 1 1 323.349 1.146 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCCN(C=O)CC2)c([N+](=O)[O-])c1 ZINC000839019351 708016395 /nfs/dbraw/zinc/01/63/95/708016395.db2.gz PYSOHNRVCPXSMA-UHFFFAOYSA-N 1 1 323.349 1.146 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1Cl ZINC000839160690 708031484 /nfs/dbraw/zinc/03/14/84/708031484.db2.gz SMWUVKUJBBMUBT-ZDUSSCGKSA-N 1 1 300.742 1.567 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc1Cl ZINC000839160690 708031485 /nfs/dbraw/zinc/03/14/85/708031485.db2.gz SMWUVKUJBBMUBT-ZDUSSCGKSA-N 1 1 300.742 1.567 20 5 DDBDMO Cc1cnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221611 708259365 /nfs/dbraw/zinc/25/93/65/708259365.db2.gz NSDXAKLRZJVJLE-STQMWFEESA-N 1 1 306.366 1.334 20 5 DDBDMO COc1cccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222343 708259851 /nfs/dbraw/zinc/25/98/51/708259851.db2.gz UQGGXSVURIMMGA-QWHCGFSZSA-N 1 1 321.377 1.639 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C)CC[N@H+](C)CC1 ZINC000897859396 708472800 /nfs/dbraw/zinc/47/28/00/708472800.db2.gz CFWRFWRWKHOKCY-UHFFFAOYSA-N 1 1 320.437 1.891 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912607160 713046542 /nfs/dbraw/zinc/04/65/42/713046542.db2.gz CTXBBYRMYPNHIO-UHFFFAOYSA-N 1 1 323.393 1.516 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344648 708746219 /nfs/dbraw/zinc/74/62/19/708746219.db2.gz IYJVROLULZUXCO-PHIMTYICSA-N 1 1 303.318 1.845 20 5 DDBDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839775 708858614 /nfs/dbraw/zinc/85/86/14/708858614.db2.gz LVBXBWGPVGWLNV-CFVMTHIKSA-N 1 1 320.393 1.708 20 5 DDBDMO Cc1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000888993694 709426195 /nfs/dbraw/zinc/42/61/95/709426195.db2.gz CCJYCXWTYPLPBJ-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000888993694 709426196 /nfs/dbraw/zinc/42/61/96/709426196.db2.gz CCJYCXWTYPLPBJ-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000892419061 710434166 /nfs/dbraw/zinc/43/41/66/710434166.db2.gz YNBSXOWWPRHVPY-CQSZACIVSA-N 1 1 306.366 1.830 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000893274460 710584149 /nfs/dbraw/zinc/58/41/49/710584149.db2.gz LXDYSAGDAKCKGW-UHFFFAOYSA-N 1 1 322.317 1.619 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928456454 713204998 /nfs/dbraw/zinc/20/49/98/713204998.db2.gz RPLYOWIDVQDINW-GXFFZTMASA-N 1 1 318.377 1.992 20 5 DDBDMO COc1c(O)ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000893669908 710770367 /nfs/dbraw/zinc/77/03/67/710770367.db2.gz XCLBNAQVRRRBRM-QWRGUYRKSA-N 1 1 309.366 1.833 20 5 DDBDMO CCO[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000902529677 710783976 /nfs/dbraw/zinc/78/39/76/710783976.db2.gz XWMJATYIZPEAQY-LBPRGKRZSA-N 1 1 305.338 1.716 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000902529677 710783981 /nfs/dbraw/zinc/78/39/81/710783981.db2.gz XWMJATYIZPEAQY-LBPRGKRZSA-N 1 1 305.338 1.716 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637830 710832747 /nfs/dbraw/zinc/83/27/47/710832747.db2.gz JTIILFKOGSSESI-UONOGXRCSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000902637830 710832750 /nfs/dbraw/zinc/83/27/50/710832750.db2.gz JTIILFKOGSSESI-UONOGXRCSA-N 1 1 317.349 1.920 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000893874482 710869398 /nfs/dbraw/zinc/86/93/98/710869398.db2.gz XDUPOSSEAFGTHT-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893874482 710869400 /nfs/dbraw/zinc/86/94/00/710869400.db2.gz XDUPOSSEAFGTHT-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941489 710894217 /nfs/dbraw/zinc/89/42/17/710894217.db2.gz SDWBHYGDQJPRLP-FZMZJTMJSA-N 1 1 304.350 1.095 20 5 DDBDMO COc1c(O)ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000894149762 710986549 /nfs/dbraw/zinc/98/65/49/710986549.db2.gz VHWDAGYRFWGOJJ-LLVKDONJSA-N 1 1 308.334 1.777 20 5 DDBDMO COC(=O)N1CC([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903124289 711040300 /nfs/dbraw/zinc/04/03/00/711040300.db2.gz FAMNRGUGPORQAU-SECBINFHSA-N 1 1 309.322 1.705 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894840008 711292329 /nfs/dbraw/zinc/29/23/29/711292329.db2.gz NNKXRTARDHHHPA-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913546380 713253122 /nfs/dbraw/zinc/25/31/22/713253122.db2.gz OMRCSBCYJJPTKK-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913546380 713253124 /nfs/dbraw/zinc/25/31/24/713253124.db2.gz OMRCSBCYJJPTKK-LMRWQKIVSA-N 1 1 319.361 1.133 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000895161662 711437709 /nfs/dbraw/zinc/43/77/09/711437709.db2.gz SSVCJEZNNHARQC-LLVKDONJSA-N 1 1 316.361 1.953 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000895161662 711437711 /nfs/dbraw/zinc/43/77/11/711437711.db2.gz SSVCJEZNNHARQC-LLVKDONJSA-N 1 1 316.361 1.953 20 5 DDBDMO Cc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)ncc1[N+](=O)[O-] ZINC000895253401 711467521 /nfs/dbraw/zinc/46/75/21/711467521.db2.gz GWJNONVVLRXEQW-UHFFFAOYSA-N 1 1 308.338 1.159 20 5 DDBDMO Cc1cc(NCC[N@H+]2CCC3(C2)OCCO3)ncc1[N+](=O)[O-] ZINC000895253401 711467522 /nfs/dbraw/zinc/46/75/22/711467522.db2.gz GWJNONVVLRXEQW-UHFFFAOYSA-N 1 1 308.338 1.159 20 5 DDBDMO COc1cc(CN2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000904406424 711853656 /nfs/dbraw/zinc/85/36/56/711853656.db2.gz SRZZLCMKEVIXHI-NSHDSACASA-N 1 1 309.366 1.783 20 5 DDBDMO O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1c1cccc(C(F)(F)F)c1 ZINC000905155670 711954509 /nfs/dbraw/zinc/95/45/09/711954509.db2.gz QHHYKGDZYYZPGF-SNVBAGLBSA-N 1 1 317.267 1.677 20 5 DDBDMO CN(C)c1cc[nH+]c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905526211 712065391 /nfs/dbraw/zinc/06/53/91/712065391.db2.gz UQWYWQSHSRCKLT-INIZCTEOSA-N 1 1 316.361 1.879 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000920599394 713682104 /nfs/dbraw/zinc/68/21/04/713682104.db2.gz TUYFZWKSOOISLL-YPMHNXCESA-N 1 1 306.366 1.529 20 5 DDBDMO CCOC(=O)/C=C/C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985535 713728980 /nfs/dbraw/zinc/72/89/80/713728980.db2.gz BUQSPQPDYJHYCX-AAOUONPWSA-N 1 1 320.349 1.595 20 5 DDBDMO CCOC(=O)/C=C/C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985535 713728982 /nfs/dbraw/zinc/72/89/82/713728982.db2.gz BUQSPQPDYJHYCX-AAOUONPWSA-N 1 1 320.349 1.595 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)C1(O)CCCC1)C2 ZINC000930100334 713756267 /nfs/dbraw/zinc/75/62/67/713756267.db2.gz SKNMWCJOYFOZAU-HNNXBMFYSA-N 1 1 306.362 1.619 20 5 DDBDMO CC1(C)CC(=O)NCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931207519 714036633 /nfs/dbraw/zinc/03/66/33/714036633.db2.gz XNQPZJVTMGIDTA-ZDUSSCGKSA-N 1 1 307.350 1.229 20 5 DDBDMO CC1(C)CC(=O)NCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931207519 714036634 /nfs/dbraw/zinc/03/66/34/714036634.db2.gz XNQPZJVTMGIDTA-ZDUSSCGKSA-N 1 1 307.350 1.229 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932003463 714230741 /nfs/dbraw/zinc/23/07/41/714230741.db2.gz PWASTLKWPCSLRX-GXTWGEPZSA-N 1 1 308.334 1.323 20 5 DDBDMO Cn1ccc([C@@H]2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000932133074 714267753 /nfs/dbraw/zinc/26/77/53/714267753.db2.gz RBRGSYGKZWGVKZ-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)n1 ZINC000932133074 714267754 /nfs/dbraw/zinc/26/77/54/714267754.db2.gz RBRGSYGKZWGVKZ-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000933438649 714589071 /nfs/dbraw/zinc/58/90/71/714589071.db2.gz BGSBDSMFPFMONP-PWSUYJOCSA-N 1 1 309.370 1.041 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114481 714745212 /nfs/dbraw/zinc/74/52/12/714745212.db2.gz JCDOJVLCJOUKJX-QLFBSQMISA-N 1 1 319.361 1.809 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114481 714745214 /nfs/dbraw/zinc/74/52/14/714745214.db2.gz JCDOJVLCJOUKJX-QLFBSQMISA-N 1 1 319.361 1.809 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120447 714747303 /nfs/dbraw/zinc/74/73/03/714747303.db2.gz HFAHTNJCMULCOG-WCQYABFASA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120447 714747305 /nfs/dbraw/zinc/74/73/05/714747305.db2.gz HFAHTNJCMULCOG-WCQYABFASA-N 1 1 307.350 1.951 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260296 714778511 /nfs/dbraw/zinc/77/85/11/714778511.db2.gz WDBIAULKMYMJLT-HOTGVXAUSA-N 1 1 323.368 1.765 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925423559 714852118 /nfs/dbraw/zinc/85/21/18/714852118.db2.gz QWTPSTMBCSDNHI-ZDUSSCGKSA-N 1 1 306.366 1.483 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001164667329 719389162 /nfs/dbraw/zinc/38/91/62/719389162.db2.gz NVBGKOPMJYIDNC-KGLIPLIRSA-N 1 1 315.333 1.057 20 5 DDBDMO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@H]1C[N@@H+](C)CCN1C ZINC001120960725 782258611 /nfs/dbraw/zinc/25/86/11/782258611.db2.gz WTKRFGWXGPFIAZ-XHDPSFHLSA-N 1 1 319.409 1.609 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCc3[nH+]ccn3CC2)c([N+](=O)[O-])c1 ZINC001167177904 732805557 /nfs/dbraw/zinc/80/55/57/732805557.db2.gz AIJLCMSKEKCVAO-UHFFFAOYSA-N 1 1 304.266 1.157 20 5 DDBDMO CCOc1nc(N2CCc3[nH+]ccn3CC2)ccc1[N+](=O)[O-] ZINC001167179997 732808068 /nfs/dbraw/zinc/80/80/68/732808068.db2.gz CNQAFADQIGMCBJ-UHFFFAOYSA-N 1 1 303.322 1.648 20 5 DDBDMO CC(C)[C@@](C)(Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)C(N)=O ZINC001167419218 733433973 /nfs/dbraw/zinc/43/39/73/733433973.db2.gz SWEZQIPITIXQMJ-MRXNPFEDSA-N 1 1 320.393 1.895 20 5 DDBDMO CC(C)[C@@](C)(Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)C(N)=O ZINC001167419218 733433974 /nfs/dbraw/zinc/43/39/74/733433974.db2.gz SWEZQIPITIXQMJ-MRXNPFEDSA-N 1 1 320.393 1.895 20 5 DDBDMO C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246694 740129902 /nfs/dbraw/zinc/12/99/02/740129902.db2.gz LBZJLXMFZLQIGH-RIEGTJTDSA-N 1 1 307.350 1.227 20 5 DDBDMO CC1(C)CC(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001000675149 762078504 /nfs/dbraw/zinc/07/85/04/762078504.db2.gz RZDAHYJIFBTUGS-HUUCEWRRSA-N 1 1 321.421 1.836 20 5 DDBDMO CC1(C)CC(C[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001000675149 762078510 /nfs/dbraw/zinc/07/85/10/762078510.db2.gz RZDAHYJIFBTUGS-HUUCEWRRSA-N 1 1 321.421 1.836 20 5 DDBDMO CC1(C)CC(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001000675149 762078515 /nfs/dbraw/zinc/07/85/15/762078515.db2.gz RZDAHYJIFBTUGS-HUUCEWRRSA-N 1 1 321.421 1.836 20 5 DDBDMO Cc1cncnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169053209 762207682 /nfs/dbraw/zinc/20/76/82/762207682.db2.gz IEJSUKLVBVTMAX-MGPQQGTHSA-N 1 1 306.366 1.684 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1)C1CCC1 ZINC001169057438 762211308 /nfs/dbraw/zinc/21/13/08/762211308.db2.gz VIOXNHDUPCBKPX-BPLDGKMQSA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139478 760614100 /nfs/dbraw/zinc/61/41/00/760614100.db2.gz ALERMNFYCMSRFS-KBUPBQIOSA-N 1 1 321.421 1.859 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109520992 763780443 /nfs/dbraw/zinc/78/04/43/763780443.db2.gz VGPUNZZLTALPTP-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334100 766256476 /nfs/dbraw/zinc/25/64/76/766256476.db2.gz BLDCXUKLPVYLEM-YPMHNXCESA-N 1 1 310.350 1.228 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1cc([N+](=O)[O-])cnc1OC ZINC001170516690 767741561 /nfs/dbraw/zinc/74/15/61/767741561.db2.gz UKEIZEFQJBQIPK-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO C[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001148488725 773499011 /nfs/dbraw/zinc/49/90/11/773499011.db2.gz KJFTUEYWRCHIGC-HAQNSBGRSA-N 1 1 323.397 1.360 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093952609 775259720 /nfs/dbraw/zinc/25/97/20/775259720.db2.gz HWFGRJJUVRHWLV-UHFFFAOYSA-N 1 1 309.370 1.248 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094456570 775894513 /nfs/dbraw/zinc/89/45/13/775894513.db2.gz JQXOIVGALMOYIZ-UHFFFAOYSA-N 1 1 308.382 1.853 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1nccc(C)c1[N+](=O)[O-] ZINC001094517466 775976047 /nfs/dbraw/zinc/97/60/47/775976047.db2.gz STVPGLKNFVWYBJ-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c2n1CCC2 ZINC001177740280 778718110 /nfs/dbraw/zinc/71/81/10/778718110.db2.gz GRUYXUXFIWRWGI-UHFFFAOYSA-N 1 1 316.317 1.433 20 5 DDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCNS(C)(=O)=O ZINC001116444010 780509730 /nfs/dbraw/zinc/50/97/30/780509730.db2.gz NORZJLQSEDJNBQ-ALCCZGGFSA-N 1 1 313.379 1.089 20 5 DDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCNS(C)(=O)=O ZINC001116444010 780509735 /nfs/dbraw/zinc/50/97/35/780509735.db2.gz NORZJLQSEDJNBQ-ALCCZGGFSA-N 1 1 313.379 1.089 20 5 DDBDMO Nc1cc(N2CCC[N@H+]3CCC[C@H]3C2)cc(CO)c1[N+](=O)[O-] ZINC001117284247 780704998 /nfs/dbraw/zinc/70/49/98/780704998.db2.gz CDOMHAKUKYNOCS-LBPRGKRZSA-N 1 1 306.366 1.344 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001119948626 781693566 /nfs/dbraw/zinc/69/35/66/781693566.db2.gz QELVHAFMNDOANR-WCQYABFASA-N 1 1 305.382 1.781 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2(C)CCC2)CC1 ZINC001269469893 841668931 /nfs/dbraw/zinc/66/89/31/841668931.db2.gz ZWWQLUSMKYDWAK-UHFFFAOYSA-N 1 1 321.381 1.257 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030317 862038156 /nfs/dbraw/zinc/03/81/56/862038156.db2.gz LHNSTEVKAGJJNX-JQWIXIFHSA-N 1 1 320.349 1.252 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001328565625 863071109 /nfs/dbraw/zinc/07/11/09/863071109.db2.gz UAGGIMLJBOVKKC-UHFFFAOYSA-N 1 1 306.322 1.369 20 5 DDBDMO CCC[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC)n3)C[C@H]2C1 ZINC001157688026 864046547 /nfs/dbraw/zinc/04/65/47/864046547.db2.gz ALSCOCVADGVFHO-TXEJJXNPSA-N 1 1 306.366 1.776 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001161042340 866310756 /nfs/dbraw/zinc/31/07/56/866310756.db2.gz MHTHJFACDMPZMD-RVAOTSRCSA-N 1 1 320.349 1.743 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001320547820 866816724 /nfs/dbraw/zinc/81/67/24/866816724.db2.gz LHTGXXIPCBPPHO-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001320547820 866816738 /nfs/dbraw/zinc/81/67/38/866816738.db2.gz LHTGXXIPCBPPHO-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CN(Cc1ncccn1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163926933 868798707 /nfs/dbraw/zinc/79/87/07/868798707.db2.gz OGRNBPKWVMVKMG-VMPITWQZSA-N 1 1 314.349 1.949 20 5 DDBDMO COc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001336223741 868801036 /nfs/dbraw/zinc/80/10/36/868801036.db2.gz MIIXPVVUKIFVJN-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762922 869128888 /nfs/dbraw/zinc/12/88/88/869128888.db2.gz JQZIEUZWERRKAH-BBRMVZONSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@@H+]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762922 869128897 /nfs/dbraw/zinc/12/88/97/869128897.db2.gz JQZIEUZWERRKAH-BBRMVZONSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762922 869128905 /nfs/dbraw/zinc/12/89/05/869128905.db2.gz JQZIEUZWERRKAH-BBRMVZONSA-N 1 1 307.394 1.948 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001339153804 870375580 /nfs/dbraw/zinc/37/55/80/870375580.db2.gz YQPGEOSSTIAXNR-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+](CCNC(=O)Cc1cc[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001317441118 870839748 /nfs/dbraw/zinc/83/97/48/870839748.db2.gz ATXBBBNDISOKBU-UHFFFAOYSA-N 1 1 317.349 1.109 20 5 DDBDMO C[N@@H+](CCNC(=O)Cc1cc[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001317441118 870839760 /nfs/dbraw/zinc/83/97/60/870839760.db2.gz ATXBBBNDISOKBU-UHFFFAOYSA-N 1 1 317.349 1.109 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCn1cnnc1 ZINC001308050427 871465649 /nfs/dbraw/zinc/46/56/49/871465649.db2.gz GWNDYKUDUZCARJ-UHFFFAOYSA-N 1 1 305.338 1.587 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CO)(CO)CC3)nc2c1 ZINC001308061137 871466856 /nfs/dbraw/zinc/46/68/56/871466856.db2.gz DGFXQWZWSUMNIT-UHFFFAOYSA-N 1 1 321.333 1.303 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001308982659 871543335 /nfs/dbraw/zinc/54/33/35/871543335.db2.gz FVLIVSWWJKWIIW-KBPBESRZSA-N 1 1 308.378 1.634 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001348031228 874339574 /nfs/dbraw/zinc/33/95/74/874339574.db2.gz IQROKTLJSHSKOU-KOLCDFICSA-N 1 1 302.338 1.532 20 5 DDBDMO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348223683 874434316 /nfs/dbraw/zinc/43/43/16/874434316.db2.gz GCOXVLOSLVBQIX-FZZIBODNSA-N 1 1 305.334 1.370 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348223683 874434322 /nfs/dbraw/zinc/43/43/22/874434322.db2.gz GCOXVLOSLVBQIX-FZZIBODNSA-N 1 1 305.334 1.370 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227232545 882921353 /nfs/dbraw/zinc/92/13/53/882921353.db2.gz UIOHWCOTLVCMKW-LLVKDONJSA-N 1 1 307.306 1.836 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001223688266 881058382 /nfs/dbraw/zinc/05/83/82/881058382.db2.gz HEDWMPUGYOOTKV-CQSZACIVSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)C[N+](C)(C)C ZINC001230206031 884374599 /nfs/dbraw/zinc/37/45/99/884374599.db2.gz YZZJRHIWPSFGTD-JTQLQIEISA-O 1 1 320.369 1.596 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC001233498233 887041379 /nfs/dbraw/zinc/04/13/79/887041379.db2.gz JYDHUIURQJRUEK-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC001233498233 887041394 /nfs/dbraw/zinc/04/13/94/887041394.db2.gz JYDHUIURQJRUEK-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nncn2CC1 ZINC001254553497 896498679 /nfs/dbraw/zinc/49/86/79/896498679.db2.gz WDLGOACBEBESKM-LBPRGKRZSA-N 1 1 301.350 1.676 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NCCc1cn2c([nH+]1)CCCC2 ZINC001258022870 898023681 /nfs/dbraw/zinc/02/36/81/898023681.db2.gz DXABFGASUZTKDM-UHFFFAOYSA-N 1 1 301.350 1.908 20 5 DDBDMO CC[N@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C[C@H]1C ZINC001262864550 900401669 /nfs/dbraw/zinc/40/16/69/900401669.db2.gz JVURDXUIZSQWNV-SNVBAGLBSA-N 1 1 320.353 1.514 20 5 DDBDMO CC[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263414580 900604742 /nfs/dbraw/zinc/60/47/42/900604742.db2.gz FKEBXLRZUIAVFS-LBPRGKRZSA-N 1 1 310.402 1.241 20 5 DDBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295792672 529382057 /nfs/dbraw/zinc/38/20/57/529382057.db2.gz VHFBNRIOHDXCLK-SNVBAGLBSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295792672 529382060 /nfs/dbraw/zinc/38/20/60/529382060.db2.gz VHFBNRIOHDXCLK-SNVBAGLBSA-N 1 1 315.757 1.889 20 5 DDBDMO O=C1NCCN1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550133 231123202 /nfs/dbraw/zinc/12/32/02/231123202.db2.gz REZBRCHPDDQYSC-CQSZACIVSA-N 1 1 318.377 1.799 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072391 231291088 /nfs/dbraw/zinc/29/10/88/231291088.db2.gz WPPMAFWQJZSQIP-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452072391 231291091 /nfs/dbraw/zinc/29/10/91/231291091.db2.gz WPPMAFWQJZSQIP-UHIISALHSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000495218716 529573467 /nfs/dbraw/zinc/57/34/67/529573467.db2.gz GHSJYZBGIVUXMP-OAHLLOKOSA-N 1 1 310.350 1.829 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286645614 219101295 /nfs/dbraw/zinc/10/12/95/219101295.db2.gz UALZPJGHNAVZEL-ZIAGYGMSSA-N 1 1 307.350 1.687 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000412411335 530060961 /nfs/dbraw/zinc/06/09/61/530060961.db2.gz AVJCAKDQBNOHEC-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CN1 ZINC000369483126 307121293 /nfs/dbraw/zinc/12/12/93/307121293.db2.gz GLICAXYPFYNNRM-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CN1 ZINC000369483126 307121294 /nfs/dbraw/zinc/12/12/94/307121294.db2.gz GLICAXYPFYNNRM-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000060379795 352870030 /nfs/dbraw/zinc/87/00/30/352870030.db2.gz GGPJQHLKMYIGBW-AWEZNQCLSA-N 1 1 312.391 1.646 20 5 DDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000060379795 352870031 /nfs/dbraw/zinc/87/00/31/352870031.db2.gz GGPJQHLKMYIGBW-AWEZNQCLSA-N 1 1 312.391 1.646 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000069489947 353162870 /nfs/dbraw/zinc/16/28/70/353162870.db2.gz CNUARBSWHTZKBC-LBPRGKRZSA-N 1 1 321.381 1.717 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000074105514 353292570 /nfs/dbraw/zinc/29/25/70/353292570.db2.gz CMTWVNJZTJUVII-CYBMUJFWSA-N 1 1 321.377 1.364 20 5 DDBDMO Cc1nn(C)c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772865 353330052 /nfs/dbraw/zinc/33/00/52/353330052.db2.gz DNZXIRVVONSORZ-ZDUSSCGKSA-N 1 1 307.398 1.805 20 5 DDBDMO COC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000076118101 353400437 /nfs/dbraw/zinc/40/04/37/353400437.db2.gz DEPGIZIYVDNRKE-UHFFFAOYSA-N 1 1 322.361 1.791 20 5 DDBDMO COC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000076118101 353400440 /nfs/dbraw/zinc/40/04/40/353400440.db2.gz DEPGIZIYVDNRKE-UHFFFAOYSA-N 1 1 322.361 1.791 20 5 DDBDMO C[N@H+]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000078359792 353512946 /nfs/dbraw/zinc/51/29/46/353512946.db2.gz XZHHMSRVEHJQAG-UHFFFAOYSA-N 1 1 318.377 1.629 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000077990040 353500477 /nfs/dbraw/zinc/50/04/77/353500477.db2.gz CUMBHGYSOCUUNR-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO CCOC(=O)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355797602 291010967 /nfs/dbraw/zinc/01/09/67/291010967.db2.gz VKGJBROPRCMMRM-UHFFFAOYSA-N 1 1 310.354 1.494 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000145704781 354157572 /nfs/dbraw/zinc/15/75/72/354157572.db2.gz RAUQUTIQQYZGMZ-UONOGXRCSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000145704412 354157735 /nfs/dbraw/zinc/15/77/35/354157735.db2.gz RAUQUTIQQYZGMZ-KBPBESRZSA-N 1 1 323.418 1.742 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067834 354899288 /nfs/dbraw/zinc/89/92/88/354899288.db2.gz UAZIYASEKBKKHS-NSHDSACASA-N 1 1 315.333 1.578 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H](C)O)C(C)C)c1 ZINC000589499611 354997112 /nfs/dbraw/zinc/99/71/12/354997112.db2.gz XOWVQSIBVRXKSP-NSHDSACASA-N 1 1 310.350 1.973 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000589836345 355024240 /nfs/dbraw/zinc/02/42/40/355024240.db2.gz AMRCYFFKKBVLJS-VIFPVBQESA-N 1 1 313.304 1.626 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590444725 355098406 /nfs/dbraw/zinc/09/84/06/355098406.db2.gz KEKZHHWPPQVFME-ZUZCIYMTSA-N 1 1 314.345 1.852 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591028150 355235814 /nfs/dbraw/zinc/23/58/14/355235814.db2.gz LJORTYWOXWTGBX-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H](NCC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591577147 355329963 /nfs/dbraw/zinc/32/99/63/355329963.db2.gz OWJFMMLSAVSBER-CQSZACIVSA-N 1 1 306.366 1.067 20 5 DDBDMO CCCN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592831910 355707271 /nfs/dbraw/zinc/70/72/71/355707271.db2.gz QGQURPPYGOWQDV-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000593018892 355771442 /nfs/dbraw/zinc/77/14/42/355771442.db2.gz BRLLJQBFZKGJGX-RYUDHWBXSA-N 1 1 321.377 1.906 20 5 DDBDMO COCC[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593099757 355796927 /nfs/dbraw/zinc/79/69/27/355796927.db2.gz CZCXTWSXYKKGCP-UHFFFAOYSA-N 1 1 323.393 1.843 20 5 DDBDMO COCC[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593099757 355796929 /nfs/dbraw/zinc/79/69/29/355796929.db2.gz CZCXTWSXYKKGCP-UHFFFAOYSA-N 1 1 323.393 1.843 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000594014451 356087147 /nfs/dbraw/zinc/08/71/47/356087147.db2.gz DSXLYSZZRUDDDH-GJZGRUSLSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000594065073 356103800 /nfs/dbraw/zinc/10/38/00/356103800.db2.gz OABGGTCGZFOGPL-JTQLQIEISA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000594065073 356103804 /nfs/dbraw/zinc/10/38/04/356103804.db2.gz OABGGTCGZFOGPL-JTQLQIEISA-N 1 1 318.333 1.990 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594200387 356138160 /nfs/dbraw/zinc/13/81/60/356138160.db2.gz LRQWSSHZPJDCFR-QWHCGFSZSA-N 1 1 306.366 1.680 20 5 DDBDMO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601338521 358505512 /nfs/dbraw/zinc/50/55/12/358505512.db2.gz XWMTZKYDPKKUIO-OCAPTIKFSA-N 1 1 319.408 1.336 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595475286 356508677 /nfs/dbraw/zinc/50/86/77/356508677.db2.gz HHSHZWSQZCIQPV-UHFFFAOYSA-N 1 1 300.330 1.953 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536004 356537559 /nfs/dbraw/zinc/53/75/59/356537559.db2.gz LTFACGYHCDUPFL-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC(C[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000236883784 202052148 /nfs/dbraw/zinc/05/21/48/202052148.db2.gz DIDWXNVYFJVJIW-UHFFFAOYSA-N 1 1 309.370 1.342 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742440 356631210 /nfs/dbraw/zinc/63/12/10/356631210.db2.gz GMDNDLJIJKUQOS-ZAZJYDDPSA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742440 356631211 /nfs/dbraw/zinc/63/12/11/356631211.db2.gz GMDNDLJIJKUQOS-ZAZJYDDPSA-N 1 1 321.377 1.871 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595752121 356635969 /nfs/dbraw/zinc/63/59/69/356635969.db2.gz SLLQNSCWVHMDGP-INIZCTEOSA-N 1 1 319.361 1.770 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595752121 356635974 /nfs/dbraw/zinc/63/59/74/356635974.db2.gz SLLQNSCWVHMDGP-INIZCTEOSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595738481 356629369 /nfs/dbraw/zinc/62/93/69/356629369.db2.gz JDHDEEUXBNLMOU-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595755406 356637489 /nfs/dbraw/zinc/63/74/89/356637489.db2.gz ADXYPANMRDXJOW-WQGACYEGSA-N 1 1 319.361 1.890 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762097 356641905 /nfs/dbraw/zinc/64/19/05/356641905.db2.gz ZXPOWZPUZRFGGD-MLGOLLRUSA-N 1 1 322.361 1.951 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595836635 356672515 /nfs/dbraw/zinc/67/25/15/356672515.db2.gz XOVZGFKYJLBIMI-UPJWGTAASA-N 1 1 319.361 1.890 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@@H]2C1 ZINC000425283742 283206041 /nfs/dbraw/zinc/20/60/41/283206041.db2.gz MQHRCLKVLHUMIK-WDEREUQCSA-N 1 1 302.338 1.168 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596110548 356775190 /nfs/dbraw/zinc/77/51/90/356775190.db2.gz OXHSCCJOCOIMOL-JTQLQIEISA-N 1 1 314.773 1.588 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000177999722 198802111 /nfs/dbraw/zinc/80/21/11/198802111.db2.gz RDIUNDSWDTWQKS-OAHLLOKOSA-N 1 1 321.425 1.982 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000597925758 357384444 /nfs/dbraw/zinc/38/44/44/357384444.db2.gz QYUIJRXBWYBCQS-GFCCVEGCSA-N 1 1 320.393 1.996 20 5 DDBDMO CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597944664 357393944 /nfs/dbraw/zinc/39/39/44/357393944.db2.gz DNJNTWHSVJCOPE-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000598218892 357497166 /nfs/dbraw/zinc/49/71/66/357497166.db2.gz IYJBJOXCZKLKIS-LLVKDONJSA-N 1 1 321.381 1.465 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598648862 357670502 /nfs/dbraw/zinc/67/05/02/357670502.db2.gz IAHAZUMIZJXQCD-CHWSQXEVSA-N 1 1 321.377 1.874 20 5 DDBDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689900 358026735 /nfs/dbraw/zinc/02/67/35/358026735.db2.gz LLRZMWMUWOUTCZ-CLGDDFHISA-N 1 1 308.382 1.830 20 5 DDBDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599689903 358026921 /nfs/dbraw/zinc/02/69/21/358026921.db2.gz LLRZMWMUWOUTCZ-KXAWDHGWSA-N 1 1 308.382 1.830 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2COCC[NH2+]2)o1 ZINC000600677938 358280469 /nfs/dbraw/zinc/28/04/69/358280469.db2.gz LQOPDIGPWLDLKA-LBPRGKRZSA-N 1 1 317.345 1.933 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000601115798 358408733 /nfs/dbraw/zinc/40/87/33/358408733.db2.gz CGYCLGUSIHKEKC-CYBMUJFWSA-N 1 1 323.372 1.345 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](CO)[C@@H](O)C3)c2c1 ZINC000601153055 358424082 /nfs/dbraw/zinc/42/40/82/358424082.db2.gz UXTHWLQQXGPNJB-BMIGLBTASA-N 1 1 303.318 1.323 20 5 DDBDMO CCO[C@@H]1COC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601171152 358431190 /nfs/dbraw/zinc/43/11/90/358431190.db2.gz GNWJFSKDTKNWPM-HUUCEWRRSA-N 1 1 303.318 1.781 20 5 DDBDMO C[N@@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979306 358763842 /nfs/dbraw/zinc/76/38/42/358763842.db2.gz DMACHBCQHYGIDU-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601979306 358763846 /nfs/dbraw/zinc/76/38/46/358763846.db2.gz DMACHBCQHYGIDU-SNVBAGLBSA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602141055 358841004 /nfs/dbraw/zinc/84/10/04/358841004.db2.gz KPWCOCQJMMVFRT-ZDUSSCGKSA-N 1 1 321.381 1.439 20 5 DDBDMO COCCCOC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602478036 359004894 /nfs/dbraw/zinc/00/48/94/359004894.db2.gz NSBQCWYQAYDLRB-UHFFFAOYSA-N 1 1 312.370 1.346 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000602784995 359190804 /nfs/dbraw/zinc/19/08/04/359190804.db2.gz QVMXZSIOTLZBTR-VXGBXAGGSA-N 1 1 312.395 1.306 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602687450 359125808 /nfs/dbraw/zinc/12/58/08/359125808.db2.gz WMROOACAHWDTER-LLVKDONJSA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602687450 359125810 /nfs/dbraw/zinc/12/58/10/359125810.db2.gz WMROOACAHWDTER-LLVKDONJSA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000602843064 359231418 /nfs/dbraw/zinc/23/14/18/359231418.db2.gz YRDOOUHBFMXWQU-LBPRGKRZSA-N 1 1 307.398 1.635 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000602795883 359197746 /nfs/dbraw/zinc/19/77/46/359197746.db2.gz BYAGAKDJUMSECD-CHWSQXEVSA-N 1 1 321.381 1.090 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000602803121 359202755 /nfs/dbraw/zinc/20/27/55/359202755.db2.gz WKJOXMNGENVLCC-CQSZACIVSA-N 1 1 308.382 1.991 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899325 359281115 /nfs/dbraw/zinc/28/11/15/359281115.db2.gz PNCNHHNHGNOMIP-ZFWWWQNUSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000603400291 359616393 /nfs/dbraw/zinc/61/63/93/359616393.db2.gz FLZPXJUIRMSHJF-SNVBAGLBSA-N 1 1 312.395 1.741 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000603400291 359616395 /nfs/dbraw/zinc/61/63/95/359616395.db2.gz FLZPXJUIRMSHJF-SNVBAGLBSA-N 1 1 312.395 1.741 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000188324999 200228324 /nfs/dbraw/zinc/22/83/24/200228324.db2.gz CJZIBOSUASZQNZ-LBPRGKRZSA-N 1 1 320.393 1.885 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000189329925 200383063 /nfs/dbraw/zinc/38/30/63/200383063.db2.gz BIDIYOISNYOWCL-LLVKDONJSA-N 1 1 322.365 1.554 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000609269116 360285272 /nfs/dbraw/zinc/28/52/72/360285272.db2.gz LFKIQEROWAIKGK-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO CNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000609413056 360305520 /nfs/dbraw/zinc/30/55/20/360305520.db2.gz ZNHRUGUACHGFFR-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609279556 360287454 /nfs/dbraw/zinc/28/74/54/360287454.db2.gz JRIQMJQZOOLONE-CYBMUJFWSA-N 1 1 322.365 1.827 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609673806 360342744 /nfs/dbraw/zinc/34/27/44/360342744.db2.gz LDXQRHUEXBHVTR-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609673806 360342750 /nfs/dbraw/zinc/34/27/50/360342750.db2.gz LDXQRHUEXBHVTR-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000610571771 360472708 /nfs/dbraw/zinc/47/27/08/360472708.db2.gz NQZUPMMCYGSXOF-AWEZNQCLSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H]1COCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990903 360591748 /nfs/dbraw/zinc/59/17/48/360591748.db2.gz UFQGIZKERFOUGH-OCCSQVGLSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1cc(C[N@H+](CC(N)=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000611515845 360742693 /nfs/dbraw/zinc/74/26/93/360742693.db2.gz OBMDHLXHCVKXNQ-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1cc(C[N@@H+](CC(N)=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000611515845 360742694 /nfs/dbraw/zinc/74/26/94/360742694.db2.gz OBMDHLXHCVKXNQ-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000612030670 360895303 /nfs/dbraw/zinc/89/53/03/360895303.db2.gz WIWJMUGNOLWRJS-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC000193279833 201018565 /nfs/dbraw/zinc/01/85/65/201018565.db2.gz YEOGVLFOGPXMRQ-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193558628 201074600 /nfs/dbraw/zinc/07/46/00/201074600.db2.gz WKGPLULPBKGMAC-KCJUWKMLSA-N 1 1 303.322 1.341 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193574230 201078619 /nfs/dbraw/zinc/07/86/19/201078619.db2.gz QMGNXXBZDBUEON-NSHDSACASA-N 1 1 308.338 1.300 20 5 DDBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000261729547 203102796 /nfs/dbraw/zinc/10/27/96/203102796.db2.gz HOENHBNUUQHUBQ-KOLCDFICSA-N 1 1 317.349 1.671 20 5 DDBDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000271731146 209164721 /nfs/dbraw/zinc/16/47/21/209164721.db2.gz MZSCYGMMOWYSQD-RWMBFGLXSA-N 1 1 321.377 1.929 20 5 DDBDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288343456 220095772 /nfs/dbraw/zinc/09/57/72/220095772.db2.gz JXMCWJSRBAIJOQ-FZMZJTMJSA-N 1 1 319.361 1.999 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288490011 220175567 /nfs/dbraw/zinc/17/55/67/220175567.db2.gz ROIRPQDEJWBKOD-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccoc2)cc1 ZINC000567201536 304202716 /nfs/dbraw/zinc/20/27/16/304202716.db2.gz AIKXFBBKCAXLGP-UHFFFAOYSA-N 1 1 310.331 1.751 20 5 DDBDMO COCC[N@@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000336858843 249266946 /nfs/dbraw/zinc/26/69/46/249266946.db2.gz BYZKNEQODDQETJ-UHFFFAOYSA-N 1 1 311.338 1.372 20 5 DDBDMO Cc1ccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000284432071 218024561 /nfs/dbraw/zinc/02/45/61/218024561.db2.gz SBADETLVKFJRMB-KGLIPLIRSA-N 1 1 307.394 1.790 20 5 DDBDMO CC[C@]1(C)COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871816 251254009 /nfs/dbraw/zinc/25/40/09/251254009.db2.gz CXSDYYZHWCYEMM-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871816 251254013 /nfs/dbraw/zinc/25/40/13/251254013.db2.gz CXSDYYZHWCYEMM-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO CC(=O)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065209191 184314471 /nfs/dbraw/zinc/31/44/71/184314471.db2.gz DCAUTUUYXIKDQX-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1[NH3+] ZINC000269175284 207295931 /nfs/dbraw/zinc/29/59/31/207295931.db2.gz BMJWXEPDFSPFTO-KWQFWETISA-N 1 1 303.322 1.280 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000269193313 207312272 /nfs/dbraw/zinc/31/22/72/207312272.db2.gz YKXCAWIBSPNYGA-UHFFFAOYSA-N 1 1 315.333 1.236 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)[C@H]2CCCO2)c(F)c1 ZINC000352403964 285028016 /nfs/dbraw/zinc/02/80/16/285028016.db2.gz ZVWOFLRGOOESDQ-QWHCGFSZSA-N 1 1 302.277 1.503 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000119882117 195054945 /nfs/dbraw/zinc/05/49/45/195054945.db2.gz MUWKZROFDMLIPG-UHFFFAOYSA-N 1 1 322.365 1.353 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000156258596 197099550 /nfs/dbraw/zinc/09/95/50/197099550.db2.gz VTKPJYOJPIIESW-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000156258596 197099551 /nfs/dbraw/zinc/09/95/51/197099551.db2.gz VTKPJYOJPIIESW-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000352689903 285230370 /nfs/dbraw/zinc/23/03/70/285230370.db2.gz DKHYIGCHSAULNM-NSHDSACASA-N 1 1 303.366 1.997 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154980170 197010160 /nfs/dbraw/zinc/01/01/60/197010160.db2.gz IVAFMDQOBUXUAP-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000121050340 195287859 /nfs/dbraw/zinc/28/78/59/195287859.db2.gz XZNJMDSYPGPRAK-SNVBAGLBSA-N 1 1 316.379 1.516 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452064486 533671331 /nfs/dbraw/zinc/67/13/31/533671331.db2.gz FLPOSEODXIRBNI-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452064486 533671338 /nfs/dbraw/zinc/67/13/38/533671338.db2.gz FLPOSEODXIRBNI-BXUZGUMPSA-N 1 1 307.350 1.260 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000020479092 406887304 /nfs/dbraw/zinc/88/73/04/406887304.db2.gz GOBUGROEFZSCME-UHFFFAOYSA-N 1 1 308.294 1.281 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000112309932 407426031 /nfs/dbraw/zinc/42/60/31/407426031.db2.gz IYGVMCRIMLENGM-UHFFFAOYSA-N 1 1 312.345 1.778 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000185725684 407487443 /nfs/dbraw/zinc/48/74/43/407487443.db2.gz AZZNSTXUYBMNIT-PWSUYJOCSA-N 1 1 322.365 1.498 20 5 DDBDMO C[NH+](C)C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199430 407551072 /nfs/dbraw/zinc/55/10/72/407551072.db2.gz ZAYUULVCSNUWAN-ZDUSSCGKSA-N 1 1 320.393 1.807 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178627223 407517889 /nfs/dbraw/zinc/51/78/89/407517889.db2.gz KBGUGJKJJZPNRT-IUODEOHRSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185863107 407522314 /nfs/dbraw/zinc/52/23/14/407522314.db2.gz QIKNQBFEYKAGSD-CQSZACIVSA-N 1 1 306.410 1.710 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261724691 407592757 /nfs/dbraw/zinc/59/27/57/407592757.db2.gz JMNDAIHRUPSUIH-INIZCTEOSA-N 1 1 320.393 1.903 20 5 DDBDMO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000178954166 407670551 /nfs/dbraw/zinc/67/05/51/407670551.db2.gz LNYSVLJPBBTDGC-PHIMTYICSA-N 1 1 313.379 1.274 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000180854406 407923722 /nfs/dbraw/zinc/92/37/22/407923722.db2.gz XSNCBTBHPRGMNV-NXEZZACHSA-N 1 1 304.350 1.532 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000174330749 407934627 /nfs/dbraw/zinc/93/46/27/407934627.db2.gz SWXZEWPEEFRXMD-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000174330749 407934632 /nfs/dbraw/zinc/93/46/32/407934632.db2.gz SWXZEWPEEFRXMD-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268185041 407937213 /nfs/dbraw/zinc/93/72/13/407937213.db2.gz VTQIPJRFLNJCCZ-UHFFFAOYSA-N 1 1 312.757 1.705 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCOC)CC1 ZINC000175075588 408045338 /nfs/dbraw/zinc/04/53/38/408045338.db2.gz PCCTWGZHRBUTBV-UHFFFAOYSA-N 1 1 323.393 1.758 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272576616 407991970 /nfs/dbraw/zinc/99/19/70/407991970.db2.gz VVFSFCBSISUOKZ-UHFFFAOYSA-N 1 1 319.317 1.315 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000119451642 408073198 /nfs/dbraw/zinc/07/31/98/408073198.db2.gz TWBXPUUECQKETM-GFCCVEGCSA-N 1 1 323.397 1.487 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000190201367 408187059 /nfs/dbraw/zinc/18/70/59/408187059.db2.gz GKUMNAZMSCZYPM-SNVBAGLBSA-N 1 1 304.350 1.391 20 5 DDBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273572939 408251702 /nfs/dbraw/zinc/25/17/02/408251702.db2.gz DMZVKHCBNHDWEH-TZMCWYRMSA-N 1 1 323.397 1.934 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156444397 408253988 /nfs/dbraw/zinc/25/39/88/408253988.db2.gz TXDRQJJIRSCENJ-AWEZNQCLSA-N 1 1 321.377 1.774 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000175994814 408258636 /nfs/dbraw/zinc/25/86/36/408258636.db2.gz MDXVWLHZKUAQGE-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO Cc1c(C(=O)NCC(F)(F)C[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000190284371 408210431 /nfs/dbraw/zinc/21/04/31/408210431.db2.gz TYNVLVAKVMHIRN-UHFFFAOYSA-N 1 1 318.236 1.135 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC000268841227 408214998 /nfs/dbraw/zinc/21/49/98/408214998.db2.gz ORDNHJNRPJQWCJ-ZWNOBZJWSA-N 1 1 319.365 1.009 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000190345675 408226829 /nfs/dbraw/zinc/22/68/29/408226829.db2.gz QPTVSRPXTLNHJM-HZMBPMFUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000190345675 408226836 /nfs/dbraw/zinc/22/68/36/408226836.db2.gz QPTVSRPXTLNHJM-HZMBPMFUSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225452 408314649 /nfs/dbraw/zinc/31/46/49/408314649.db2.gz XWQBMPHZOWHVEN-CYBMUJFWSA-N 1 1 323.397 1.276 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246721838 408324340 /nfs/dbraw/zinc/32/43/40/408324340.db2.gz LLXHPKQFPPDTPU-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246721838 408324344 /nfs/dbraw/zinc/32/43/44/408324344.db2.gz LLXHPKQFPPDTPU-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000269547741 408350280 /nfs/dbraw/zinc/35/02/80/408350280.db2.gz CWUYKHNKAMTHCB-AWEZNQCLSA-N 1 1 308.382 1.399 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN(C)CCN1C ZINC000269547741 408350285 /nfs/dbraw/zinc/35/02/85/408350285.db2.gz CWUYKHNKAMTHCB-AWEZNQCLSA-N 1 1 308.382 1.399 20 5 DDBDMO C[N@H+]1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000137964210 162129466 /nfs/dbraw/zinc/12/94/66/162129466.db2.gz LAZAYMYRCBHKNE-SNVBAGLBSA-N 1 1 313.379 1.362 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264194755 408396245 /nfs/dbraw/zinc/39/62/45/408396245.db2.gz OIXDPCHYZZQBJT-NSHDSACASA-N 1 1 307.354 1.327 20 5 DDBDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191282773 408399219 /nfs/dbraw/zinc/39/92/19/408399219.db2.gz AIDGIAZWFVAULW-HWYHXSKPSA-N 1 1 307.350 1.427 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247161614 408418980 /nfs/dbraw/zinc/41/89/80/408418980.db2.gz MIWSTJFFHIUTGG-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247523659 408487759 /nfs/dbraw/zinc/48/77/59/408487759.db2.gz WPZVXRQXTAEJLT-SWLSCSKDSA-N 1 1 321.377 1.772 20 5 DDBDMO CCOc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000269927946 408473641 /nfs/dbraw/zinc/47/36/41/408473641.db2.gz CCUNQGALRVCQPZ-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000248470924 408576594 /nfs/dbraw/zinc/57/65/94/408576594.db2.gz VLNAJDIMKOYKAO-QWHCGFSZSA-N 1 1 310.350 1.303 20 5 DDBDMO CN(CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000192484675 408596849 /nfs/dbraw/zinc/59/68/49/408596849.db2.gz JPPZJMODSGTSAL-BETUJISGSA-N 1 1 318.377 1.051 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161386230 408597843 /nfs/dbraw/zinc/59/78/43/408597843.db2.gz ZWUPXOAPACAQTL-NSHDSACASA-N 1 1 322.287 1.427 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C[N@H+]1C1CC1 ZINC000184486896 408627910 /nfs/dbraw/zinc/62/79/10/408627910.db2.gz NHFFPKODVWPKTA-NXEZZACHSA-N 1 1 304.350 1.532 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000265628051 408719931 /nfs/dbraw/zinc/71/99/31/408719931.db2.gz RGJQUCLTACMPLL-ZDUSSCGKSA-N 1 1 322.365 1.115 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC(F)(F)C[NH3+])c1C ZINC000162652136 408724160 /nfs/dbraw/zinc/72/41/60/408724160.db2.gz RHAVTVWCIWAYJP-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000164177946 408795694 /nfs/dbraw/zinc/79/56/94/408795694.db2.gz GDDDNOYPMJEKNM-LLVKDONJSA-N 1 1 309.370 1.558 20 5 DDBDMO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000164177946 408795698 /nfs/dbraw/zinc/79/56/98/408795698.db2.gz GDDDNOYPMJEKNM-LLVKDONJSA-N 1 1 309.370 1.558 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000164177946 408795701 /nfs/dbraw/zinc/79/57/01/408795701.db2.gz GDDDNOYPMJEKNM-LLVKDONJSA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183449 408775618 /nfs/dbraw/zinc/77/56/18/408775618.db2.gz NWUZMFDDRQWAGM-MNOVXSKESA-N 1 1 309.341 1.905 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250817944 408779783 /nfs/dbraw/zinc/77/97/83/408779783.db2.gz WIODLFDGQKXGAM-WDEREUQCSA-N 1 1 312.757 1.918 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000285872566 408880854 /nfs/dbraw/zinc/88/08/54/408880854.db2.gz RLCNJFFXPORUHD-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO C[N@H+](CCCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276219701 408826035 /nfs/dbraw/zinc/82/60/35/408826035.db2.gz BATGBRIPNNPOKY-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[N@@H+](CCCCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276219701 408826036 /nfs/dbraw/zinc/82/60/36/408826036.db2.gz BATGBRIPNNPOKY-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000290863220 408846430 /nfs/dbraw/zinc/84/64/30/408846430.db2.gz YVJJQCLEYDRNKA-ZJUUUORDSA-N 1 1 307.354 1.008 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000188746257 163066027 /nfs/dbraw/zinc/06/60/27/163066027.db2.gz AWPFKBIOLMVUJH-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000188746257 163066029 /nfs/dbraw/zinc/06/60/29/163066029.db2.gz AWPFKBIOLMVUJH-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286253774 408949816 /nfs/dbraw/zinc/94/98/16/408949816.db2.gz VKCPGJRDUIEVIT-UHFFFAOYSA-N 1 1 310.329 1.356 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000277609199 408976713 /nfs/dbraw/zinc/97/67/13/408976713.db2.gz PNOPMVSYYFROCT-KBPBESRZSA-N 1 1 319.361 1.960 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000277638646 408982801 /nfs/dbraw/zinc/98/28/01/408982801.db2.gz TUHZCGDKHVQUOJ-IINYFYTJSA-N 1 1 319.361 1.816 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)CO ZINC000292302916 409020861 /nfs/dbraw/zinc/02/08/61/409020861.db2.gz UXNWLWCJTLNPDS-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000293237219 409074282 /nfs/dbraw/zinc/07/42/82/409074282.db2.gz SOXGYDWWQSZGNJ-CQSZACIVSA-N 1 1 309.366 1.503 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000283166136 409102897 /nfs/dbraw/zinc/10/28/97/409102897.db2.gz PEGKEUIDFWGQTA-SNVBAGLBSA-N 1 1 324.356 1.919 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOCCO)C(C)C ZINC000283628253 409187495 /nfs/dbraw/zinc/18/74/95/409187495.db2.gz BFPLURKNFYBOBD-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000293658817 409156034 /nfs/dbraw/zinc/15/60/34/409156034.db2.gz HQKKBJHMAXEYDE-HNNXBMFYSA-N 1 1 304.350 1.345 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000293697263 409162619 /nfs/dbraw/zinc/16/26/19/409162619.db2.gz OSMHQSVCZCLAHW-IUODEOHRSA-N 1 1 321.377 1.430 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284012544 409257822 /nfs/dbraw/zinc/25/78/22/409257822.db2.gz OEMLNHWEDWJTPU-JTQLQIEISA-N 1 1 324.356 1.920 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc([N+](=O)[O-])c1 ZINC000295513624 409325938 /nfs/dbraw/zinc/32/59/38/409325938.db2.gz QBCJWILVTCOWCH-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285377178 409416337 /nfs/dbraw/zinc/41/63/37/409416337.db2.gz MWOBPQRVCHTYBD-SNVBAGLBSA-N 1 1 318.337 1.554 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285390761 409422795 /nfs/dbraw/zinc/42/27/95/409422795.db2.gz NXXJLDZYXQMSML-OCCSQVGLSA-N 1 1 320.353 1.103 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285390761 409422800 /nfs/dbraw/zinc/42/28/00/409422800.db2.gz NXXJLDZYXQMSML-OCCSQVGLSA-N 1 1 320.353 1.103 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000296105836 409431508 /nfs/dbraw/zinc/43/15/08/409431508.db2.gz GYIPOHRGZYPOGJ-SNVBAGLBSA-N 1 1 308.338 1.677 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198837 164026537 /nfs/dbraw/zinc/02/65/37/164026537.db2.gz NMIWHHPMHQMUFW-MISXGVKJSA-N 1 1 305.334 1.236 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198837 164026538 /nfs/dbraw/zinc/02/65/38/164026538.db2.gz NMIWHHPMHQMUFW-MISXGVKJSA-N 1 1 305.334 1.236 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285592927 409501130 /nfs/dbraw/zinc/50/11/30/409501130.db2.gz CALDFNMWFSPXNF-QWRGUYRKSA-N 1 1 311.363 1.201 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303040565 409525717 /nfs/dbraw/zinc/52/57/17/409525717.db2.gz NLZMPNDHFPSUKG-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000304380552 409616049 /nfs/dbraw/zinc/61/60/49/409616049.db2.gz YGJBCMSHOCRDPS-CABCVRRESA-N 1 1 308.382 1.807 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296869522 409679763 /nfs/dbraw/zinc/67/97/63/409679763.db2.gz VZEFLIVYGVZKDG-LLVKDONJSA-N 1 1 319.365 1.628 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356883929 409687864 /nfs/dbraw/zinc/68/78/64/409687864.db2.gz QOZPOKXFFUTXNZ-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356883929 409687872 /nfs/dbraw/zinc/68/78/72/409687872.db2.gz QOZPOKXFFUTXNZ-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000354139155 409690010 /nfs/dbraw/zinc/69/00/10/409690010.db2.gz PKAFJUXRTVJWJH-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000357050517 409820948 /nfs/dbraw/zinc/82/09/48/409820948.db2.gz IEFWAQRTZYFGEO-GFCCVEGCSA-N 1 1 321.381 1.132 20 5 DDBDMO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000357308536 409967630 /nfs/dbraw/zinc/96/76/30/409967630.db2.gz WNYSRUZWRVXNEZ-GHMZBOCLSA-N 1 1 321.381 1.621 20 5 DDBDMO Cn1cncc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298044014 410087794 /nfs/dbraw/zinc/08/77/94/410087794.db2.gz HRUMGXJZQLFYRJ-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO Cn1c[nH+]cc1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298044014 410087800 /nfs/dbraw/zinc/08/78/00/410087800.db2.gz HRUMGXJZQLFYRJ-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670375 410067021 /nfs/dbraw/zinc/06/70/21/410067021.db2.gz UOUSVWTYWOMCSV-ZOWXZIJZSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670375 410067028 /nfs/dbraw/zinc/06/70/28/410067028.db2.gz UOUSVWTYWOMCSV-ZOWXZIJZSA-N 1 1 319.361 1.689 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000346695004 410091211 /nfs/dbraw/zinc/09/12/11/410091211.db2.gz XRTIGVQTGIDDNE-GWCFXTLKSA-N 1 1 308.334 1.987 20 5 DDBDMO CCNC(=O)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000339321225 410092046 /nfs/dbraw/zinc/09/20/46/410092046.db2.gz QBOPUTONQMHXEX-AWEZNQCLSA-N 1 1 319.365 1.721 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343511141 410499895 /nfs/dbraw/zinc/49/98/95/410499895.db2.gz NCZAJAZJKPNJRE-OLZOCXBDSA-N 1 1 312.366 1.426 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000343620176 410572896 /nfs/dbraw/zinc/57/28/96/410572896.db2.gz GGXGOGBGTXFAGK-CYBMUJFWSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCNC1=O ZINC000340222398 410769900 /nfs/dbraw/zinc/76/99/00/410769900.db2.gz MHFIGONZHKTCSP-ZDUSSCGKSA-N 1 1 320.349 1.052 20 5 DDBDMO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347900115 410781110 /nfs/dbraw/zinc/78/11/10/410781110.db2.gz SQKHEAKVRGXFHN-CYBMUJFWSA-N 1 1 318.377 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000343995410 410876240 /nfs/dbraw/zinc/87/62/40/410876240.db2.gz QISFDSGASFYJDQ-ZCDTZLGTSA-N 1 1 322.361 1.037 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000337810197 411013241 /nfs/dbraw/zinc/01/32/41/411013241.db2.gz MAXMOMAMKZSWIE-UHFFFAOYSA-N 1 1 301.310 1.645 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000331294348 411061944 /nfs/dbraw/zinc/06/19/44/411061944.db2.gz XZKWBZGIPPBQTD-GWCFXTLKSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000331294348 411061947 /nfs/dbraw/zinc/06/19/47/411061947.db2.gz XZKWBZGIPPBQTD-GWCFXTLKSA-N 1 1 307.350 1.544 20 5 DDBDMO COc1c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356544307 411082191 /nfs/dbraw/zinc/08/21/91/411082191.db2.gz QTUVKWIBOCUSFL-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356544307 411082195 /nfs/dbraw/zinc/08/21/95/411082195.db2.gz QTUVKWIBOCUSFL-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO C[N@@H+](CC1(O)CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353487222 411023638 /nfs/dbraw/zinc/02/36/38/411023638.db2.gz DERCZLFKKIWACE-CQSZACIVSA-N 1 1 319.361 1.547 20 5 DDBDMO Cc1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353766008 411126273 /nfs/dbraw/zinc/12/62/73/411126273.db2.gz FXHQZEUANCKDFC-CYBMUJFWSA-N 1 1 312.391 1.770 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353766008 411126275 /nfs/dbraw/zinc/12/62/75/411126275.db2.gz FXHQZEUANCKDFC-CYBMUJFWSA-N 1 1 312.391 1.770 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305452872 533680562 /nfs/dbraw/zinc/68/05/62/533680562.db2.gz RZSRBBZBFMRICC-IUODEOHRSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305452872 533680565 /nfs/dbraw/zinc/68/05/65/533680565.db2.gz RZSRBBZBFMRICC-IUODEOHRSA-N 1 1 321.377 1.650 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000366177688 418437973 /nfs/dbraw/zinc/43/79/73/418437973.db2.gz DWVDFYONYSEMGK-HNNXBMFYSA-N 1 1 319.361 1.593 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000366177688 418437974 /nfs/dbraw/zinc/43/79/74/418437974.db2.gz DWVDFYONYSEMGK-HNNXBMFYSA-N 1 1 319.361 1.593 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC000366333441 418459075 /nfs/dbraw/zinc/45/90/75/418459075.db2.gz QLABRMUEZBXUPI-UWVGGRQHSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC000366333441 418459079 /nfs/dbraw/zinc/45/90/79/418459079.db2.gz QLABRMUEZBXUPI-UWVGGRQHSA-N 1 1 323.736 1.343 20 5 DDBDMO COc1cc(OCC(=O)NC[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000195186999 418554792 /nfs/dbraw/zinc/55/47/92/418554792.db2.gz VEQLIKBXTPNMSS-LLVKDONJSA-N 1 1 323.349 1.193 20 5 DDBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195190714 222193672 /nfs/dbraw/zinc/19/36/72/222193672.db2.gz XAOYPCVFGWFEDS-LBPRGKRZSA-N 1 1 314.345 1.996 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267858 418615228 /nfs/dbraw/zinc/61/52/28/418615228.db2.gz SKIXRKJMERQGHW-VIFPVBQESA-N 1 1 306.322 1.712 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267858 418615231 /nfs/dbraw/zinc/61/52/31/418615231.db2.gz SKIXRKJMERQGHW-VIFPVBQESA-N 1 1 306.322 1.712 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)CN(CC[N@H+]1CCCOCC1)CC2 ZINC000361349330 418631804 /nfs/dbraw/zinc/63/18/04/418631804.db2.gz UGVZCAOYWMKTIB-UHFFFAOYSA-N 1 1 306.366 1.070 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367779268 418633191 /nfs/dbraw/zinc/63/31/91/418633191.db2.gz NCMCXOAJNQJUAV-ITGUQSILSA-N 1 1 305.334 1.012 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367779268 418633192 /nfs/dbraw/zinc/63/31/92/418633192.db2.gz NCMCXOAJNQJUAV-ITGUQSILSA-N 1 1 305.334 1.012 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]12 ZINC000368238173 418708460 /nfs/dbraw/zinc/70/84/60/418708460.db2.gz BLLGAWVFIYEJSD-JQWIXIFHSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]12 ZINC000368238173 418708462 /nfs/dbraw/zinc/70/84/62/418708462.db2.gz BLLGAWVFIYEJSD-JQWIXIFHSA-N 1 1 309.753 1.816 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000375532145 418655484 /nfs/dbraw/zinc/65/54/84/418655484.db2.gz IKKVKCXOSSGCDU-INIZCTEOSA-N 1 1 321.377 1.530 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000368063939 418682815 /nfs/dbraw/zinc/68/28/15/418682815.db2.gz OSKDVYXRDQEYCF-ZYHUDNBSSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000368063939 418682818 /nfs/dbraw/zinc/68/28/18/418682818.db2.gz OSKDVYXRDQEYCF-ZYHUDNBSSA-N 1 1 309.753 1.816 20 5 DDBDMO CC[N@@H+]1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000389251103 418749009 /nfs/dbraw/zinc/74/90/09/418749009.db2.gz BMWJIOODOBVWJS-SNVBAGLBSA-N 1 1 313.379 1.504 20 5 DDBDMO CC[N@H+]1CC[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000389251103 418749011 /nfs/dbraw/zinc/74/90/11/418749011.db2.gz BMWJIOODOBVWJS-SNVBAGLBSA-N 1 1 313.379 1.504 20 5 DDBDMO CNC(=O)C[N@@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000370988439 418755089 /nfs/dbraw/zinc/75/50/89/418755089.db2.gz PLIZAOWZVPRGMV-UHFFFAOYSA-N 1 1 306.366 1.161 20 5 DDBDMO CNC(=O)C[N@H+]1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000370988439 418755090 /nfs/dbraw/zinc/75/50/90/418755090.db2.gz PLIZAOWZVPRGMV-UHFFFAOYSA-N 1 1 306.366 1.161 20 5 DDBDMO Cn1ccnc1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651417 418888653 /nfs/dbraw/zinc/88/86/53/418888653.db2.gz VYDNMSQSNIDZPW-LBPRGKRZSA-N 1 1 304.354 1.404 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426241817 419417791 /nfs/dbraw/zinc/41/77/91/419417791.db2.gz XEKWEDDOLCNWAV-ZDUSSCGKSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936456 419371195 /nfs/dbraw/zinc/37/11/95/419371195.db2.gz INMBHEOIVQFOFP-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936456 419371200 /nfs/dbraw/zinc/37/12/00/419371200.db2.gz INMBHEOIVQFOFP-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954656 419382875 /nfs/dbraw/zinc/38/28/75/419382875.db2.gz ZPLPEHVUYXORML-WDEREUQCSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420954656 419382881 /nfs/dbraw/zinc/38/28/81/419382881.db2.gz ZPLPEHVUYXORML-WDEREUQCSA-N 1 1 304.350 1.921 20 5 DDBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000420993826 419427368 /nfs/dbraw/zinc/42/73/68/419427368.db2.gz BIGIXAQKSWVWIJ-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@H]1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420993826 419427372 /nfs/dbraw/zinc/42/73/72/419427372.db2.gz BIGIXAQKSWVWIJ-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CCC[C@H]1C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420993826 419427376 /nfs/dbraw/zinc/42/73/76/419427376.db2.gz BIGIXAQKSWVWIJ-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000418109211 419537458 /nfs/dbraw/zinc/53/74/58/419537458.db2.gz HXOVKGSHVRNCKP-ZWXLGZMVSA-N 1 1 319.405 1.995 20 5 DDBDMO CNC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000412056380 419598430 /nfs/dbraw/zinc/59/84/30/419598430.db2.gz OGJXQJGGZWGUNK-UHFFFAOYSA-N 1 1 322.365 1.497 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421710517 419699024 /nfs/dbraw/zinc/69/90/24/419699024.db2.gz KZMHHZAJUCLMOH-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421710517 419699033 /nfs/dbraw/zinc/69/90/33/419699033.db2.gz KZMHHZAJUCLMOH-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421710517 419699042 /nfs/dbraw/zinc/69/90/42/419699042.db2.gz KZMHHZAJUCLMOH-LLVKDONJSA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413312700 419778367 /nfs/dbraw/zinc/77/83/67/419778367.db2.gz GHUZBLBILRPHMV-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000434443312 229296751 /nfs/dbraw/zinc/29/67/51/229296751.db2.gz XGGZHUUAPBJYJS-GFCCVEGCSA-N 1 1 321.381 1.558 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429115373 419970582 /nfs/dbraw/zinc/97/05/82/419970582.db2.gz ODOFYSSOUUSZLX-AVGNSLFASA-N 1 1 310.350 1.180 20 5 DDBDMO CSC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429295842 419999168 /nfs/dbraw/zinc/99/91/68/419999168.db2.gz BGXDXQPPLUGMSP-WCQYABFASA-N 1 1 314.411 1.227 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416494277 420393430 /nfs/dbraw/zinc/39/34/30/420393430.db2.gz IFBPDHFAUPNDBA-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(OC(F)F)c1 ZINC000302033957 230052472 /nfs/dbraw/zinc/05/24/72/230052472.db2.gz DMJFENBLLIPFRL-UHFFFAOYSA-N 1 1 317.292 1.311 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425549783 420415418 /nfs/dbraw/zinc/41/54/18/420415418.db2.gz ODALTHWXPCWRDP-NSHDSACASA-N 1 1 303.322 1.581 20 5 DDBDMO CC(C)c1ncc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000440480163 420578649 /nfs/dbraw/zinc/57/86/49/420578649.db2.gz UWTHFMMUJAXVLU-UHFFFAOYSA-N 1 1 304.354 1.837 20 5 DDBDMO CC(C)c1ncc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000440480163 420578652 /nfs/dbraw/zinc/57/86/52/420578652.db2.gz UWTHFMMUJAXVLU-UHFFFAOYSA-N 1 1 304.354 1.837 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457024169 420589576 /nfs/dbraw/zinc/58/95/76/420589576.db2.gz OEMUMFXBRNVOFY-GFCCVEGCSA-N 1 1 301.306 1.105 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000442132924 420671440 /nfs/dbraw/zinc/67/14/40/420671440.db2.gz QKSDANHFBDIYED-ZYHUDNBSSA-N 1 1 320.349 1.132 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487136442 421006113 /nfs/dbraw/zinc/00/61/13/421006113.db2.gz KKKYPRGMXKMULN-CYBMUJFWSA-N 1 1 322.365 1.553 20 5 DDBDMO CNc1nc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000456048701 421093952 /nfs/dbraw/zinc/09/39/52/421093952.db2.gz NAOZFZGZIOOYMD-JTQLQIEISA-N 1 1 309.370 1.490 20 5 DDBDMO Cc1nc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450264341 421173792 /nfs/dbraw/zinc/17/37/92/421173792.db2.gz ZIUDDAKWGQZTIQ-NSHDSACASA-N 1 1 321.381 1.383 20 5 DDBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000490069519 421188437 /nfs/dbraw/zinc/18/84/37/421188437.db2.gz VBXFTKZJVPIDLB-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000524776429 421271616 /nfs/dbraw/zinc/27/16/16/421271616.db2.gz DZSBPPOVUJPDPN-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548435785 421438039 /nfs/dbraw/zinc/43/80/39/421438039.db2.gz WMBZDAVBBJJTBK-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482991 421635442 /nfs/dbraw/zinc/63/54/42/421635442.db2.gz JXPUARZCZCYKNO-ZYHUDNBSSA-N 1 1 318.377 1.992 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000540932518 421777352 /nfs/dbraw/zinc/77/73/52/421777352.db2.gz CPYOISRWWXLIBB-LLVKDONJSA-N 1 1 307.350 1.761 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000572425040 421787257 /nfs/dbraw/zinc/78/72/57/421787257.db2.gz GLWAAVQQFGRMAY-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO O=C1C[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960199 421874975 /nfs/dbraw/zinc/87/49/75/421874975.db2.gz HCNHCLOGAZDERY-DGCLKSJQSA-N 1 1 303.318 1.189 20 5 DDBDMO O=C1C[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000580960199 421874980 /nfs/dbraw/zinc/87/49/80/421874980.db2.gz HCNHCLOGAZDERY-DGCLKSJQSA-N 1 1 303.318 1.189 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000582218201 422130289 /nfs/dbraw/zinc/13/02/89/422130289.db2.gz HRTDYUAZAPNKJI-CYBMUJFWSA-N 1 1 321.377 1.740 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000584788290 422301462 /nfs/dbraw/zinc/30/14/62/422301462.db2.gz KNBGKSYFTYFFLN-GHMZBOCLSA-N 1 1 321.381 1.586 20 5 DDBDMO O=c1[nH]c(N[C@H]2CC[N@H+](C3CC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000596092997 422364911 /nfs/dbraw/zinc/36/49/11/422364911.db2.gz YXRZSGMNQMAJQN-VIFPVBQESA-N 1 1 315.333 1.892 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000578204241 422522063 /nfs/dbraw/zinc/52/20/63/422522063.db2.gz LZHGUAFGCBSJOE-UHFFFAOYSA-N 1 1 318.377 1.606 20 5 DDBDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342320394 271375369 /nfs/dbraw/zinc/37/53/69/271375369.db2.gz VJIGHCJYKHIXEW-VIFPVBQESA-N 1 1 303.409 1.614 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344645715 272079101 /nfs/dbraw/zinc/07/91/01/272079101.db2.gz PUIDMORIXLKRFZ-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000302857884 274004633 /nfs/dbraw/zinc/00/46/33/274004633.db2.gz MVGUDDQEOAMMLN-TXEJJXNPSA-N 1 1 305.334 1.379 20 5 DDBDMO COCC[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302697173 274030131 /nfs/dbraw/zinc/03/01/31/274030131.db2.gz TUHUIIXPMLZGAK-UHFFFAOYSA-N 1 1 306.366 1.331 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000275860419 274271345 /nfs/dbraw/zinc/27/13/45/274271345.db2.gz TXXBRCWWMXWDHW-SNVBAGLBSA-N 1 1 310.310 1.006 20 5 DDBDMO C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261729548 274299957 /nfs/dbraw/zinc/29/99/57/274299957.db2.gz HOENHBNUUQHUBQ-MWLCHTKSSA-N 1 1 317.349 1.671 20 5 DDBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+]1CCOCC1 ZINC000301952532 274492457 /nfs/dbraw/zinc/49/24/57/274492457.db2.gz CFOVRBJUMAQSNZ-LLVKDONJSA-N 1 1 320.353 1.018 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000292707584 277087618 /nfs/dbraw/zinc/08/76/18/277087618.db2.gz GNGHZQNMWICZQI-HNNXBMFYSA-N 1 1 319.365 1.011 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000187155693 288238820 /nfs/dbraw/zinc/23/88/20/288238820.db2.gz KBKFIZPHEUMGRY-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246705819 282008159 /nfs/dbraw/zinc/00/81/59/282008159.db2.gz JXKPKNZWVOZHHW-CMPLNLGQSA-N 1 1 310.379 1.907 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408026839 290114729 /nfs/dbraw/zinc/11/47/29/290114729.db2.gz JJAOSVJPLOKGTO-CABCVRRESA-N 1 1 318.377 1.472 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246850784 293395695 /nfs/dbraw/zinc/39/56/95/293395695.db2.gz FHQKHSPZYMQJET-YPMHNXCESA-N 1 1 323.397 1.335 20 5 DDBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286328479 297266662 /nfs/dbraw/zinc/26/66/62/297266662.db2.gz LHOVSEPJMQOGTQ-DGCLKSJQSA-N 1 1 306.366 1.476 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000354241687 298379066 /nfs/dbraw/zinc/37/90/66/298379066.db2.gz XQQNJUGCVINPGO-LBPRGKRZSA-N 1 1 316.361 1.617 20 5 DDBDMO O=[N+]([O-])c1cccc(OCCN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000362222652 300031462 /nfs/dbraw/zinc/03/14/62/300031462.db2.gz ZWISPTSJRFWBMY-OAHLLOKOSA-N 1 1 321.377 1.380 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362290458 300045093 /nfs/dbraw/zinc/04/50/93/300045093.db2.gz RVCCBSIBDURWLK-GXFFZTMASA-N 1 1 304.350 1.343 20 5 DDBDMO CN(C)c1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000362682581 300115191 /nfs/dbraw/zinc/11/51/91/300115191.db2.gz DULAPHLOUJICCW-UHFFFAOYSA-N 1 1 317.353 1.489 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363265559 300242022 /nfs/dbraw/zinc/24/20/22/300242022.db2.gz FYFAKBOAEKPFSW-HUUCEWRRSA-N 1 1 319.361 1.117 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000368590608 301060120 /nfs/dbraw/zinc/06/01/20/301060120.db2.gz KZNRBRWFFIZYPJ-NHYWBVRUSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370215044 301295829 /nfs/dbraw/zinc/29/58/29/301295829.db2.gz JIUGHIHINDJBTI-DMRZNYOFSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000370215044 301295832 /nfs/dbraw/zinc/29/58/32/301295832.db2.gz JIUGHIHINDJBTI-DMRZNYOFSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000370215044 301295835 /nfs/dbraw/zinc/29/58/35/301295835.db2.gz JIUGHIHINDJBTI-DMRZNYOFSA-N 1 1 317.389 1.821 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377481813 302183951 /nfs/dbraw/zinc/18/39/51/302183951.db2.gz OPIPQXOXQITNGV-GJZGRUSLSA-N 1 1 319.361 1.117 20 5 DDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261764049 303008974 /nfs/dbraw/zinc/00/89/74/303008974.db2.gz QRBCCZMLRRMYND-CYBMUJFWSA-N 1 1 315.333 1.115 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655087 307078722 /nfs/dbraw/zinc/07/87/22/307078722.db2.gz PPHGCWNJCJYTCS-UONOGXRCSA-N 1 1 322.361 1.759 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[NH+]([C@@H]3CCOC3)CC2)nc2sccn21 ZINC000372932188 307177091 /nfs/dbraw/zinc/17/70/91/307177091.db2.gz WLVBIMJZOOGMDV-SNVBAGLBSA-N 1 1 323.378 1.215 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373813343 307195793 /nfs/dbraw/zinc/19/57/93/307195793.db2.gz SXVINOZPVPJYNI-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373813343 307195794 /nfs/dbraw/zinc/19/57/94/307195794.db2.gz SXVINOZPVPJYNI-OCCSQVGLSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279335 307204947 /nfs/dbraw/zinc/20/49/47/307204947.db2.gz VGJHKYJTWGZXBS-BFYDXBDKSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279335 307204948 /nfs/dbraw/zinc/20/49/48/307204948.db2.gz VGJHKYJTWGZXBS-BFYDXBDKSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279335 307204949 /nfs/dbraw/zinc/20/49/49/307204949.db2.gz VGJHKYJTWGZXBS-BFYDXBDKSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000535958038 307662301 /nfs/dbraw/zinc/66/23/01/307662301.db2.gz ASLFZNNVNBLOEY-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO Cc1c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000548718309 307789105 /nfs/dbraw/zinc/78/91/05/307789105.db2.gz RKVZQZFTZVOGMZ-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567607891 308086771 /nfs/dbraw/zinc/08/67/71/308086771.db2.gz IHXIBKHIUSHURJ-HNNXBMFYSA-N 1 1 306.366 1.347 20 5 DDBDMO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192655 308273349 /nfs/dbraw/zinc/27/33/49/308273349.db2.gz JMIKJCRHCFVURF-VXGBXAGGSA-N 1 1 319.365 1.002 20 5 DDBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349073 534107276 /nfs/dbraw/zinc/10/72/76/534107276.db2.gz SYPVCIUBNNRCJE-DYEKYZERSA-N 1 1 309.366 1.238 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000332336397 534316656 /nfs/dbraw/zinc/31/66/56/534316656.db2.gz VYAMZIJWPVXMIO-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000293312456 534751583 /nfs/dbraw/zinc/75/15/83/534751583.db2.gz XDFMKNJOXNKOSC-UHFFFAOYSA-N 1 1 321.377 1.515 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456073876 527988896 /nfs/dbraw/zinc/98/88/96/527988896.db2.gz WROIMGZXRBGFMR-LLVKDONJSA-N 1 1 323.397 1.882 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(=O)OC ZINC000411222974 528400888 /nfs/dbraw/zinc/40/08/88/528400888.db2.gz OMFSVJKRAKAZBB-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820717102 606713329 /nfs/dbraw/zinc/71/33/29/606713329.db2.gz NWDGKZDQGZWYJG-SECBINFHSA-N 1 1 318.341 1.066 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845773 701140472 /nfs/dbraw/zinc/14/04/72/701140472.db2.gz YKKIIYRLIWBMAT-LITPITGPSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845773 701140474 /nfs/dbraw/zinc/14/04/74/701140474.db2.gz YKKIIYRLIWBMAT-LITPITGPSA-N 1 1 300.380 1.327 20 5 DDBDMO C[N@@H+](CC1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424726 697508550 /nfs/dbraw/zinc/50/85/50/697508550.db2.gz AATNGWSJBUOAKN-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO C[N@H+](CC1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424726 697508552 /nfs/dbraw/zinc/50/85/52/697508552.db2.gz AATNGWSJBUOAKN-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO C[N@@H+](CC1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424726 697508554 /nfs/dbraw/zinc/50/85/54/697508554.db2.gz AATNGWSJBUOAKN-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO [NH3+]C1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000237811047 697813115 /nfs/dbraw/zinc/81/31/15/697813115.db2.gz XQICUVUYDGAJFA-UHFFFAOYSA-N 1 1 303.322 1.471 20 5 DDBDMO C[C@H]1CCC[N@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278233 698091650 /nfs/dbraw/zinc/09/16/50/698091650.db2.gz SMJWRJHCEFZQDU-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278233 698091655 /nfs/dbraw/zinc/09/16/55/698091655.db2.gz SMJWRJHCEFZQDU-XJKSGUPXSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778264324 698254723 /nfs/dbraw/zinc/25/47/23/698254723.db2.gz XHGUDTMRFGLGFF-NSHDSACASA-N 1 1 313.304 1.897 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778264324 698254724 /nfs/dbraw/zinc/25/47/24/698254724.db2.gz XHGUDTMRFGLGFF-NSHDSACASA-N 1 1 313.304 1.897 20 5 DDBDMO Cc1nn(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000247049859 698360270 /nfs/dbraw/zinc/36/02/70/698360270.db2.gz UDZUMXOGBZWUGH-ZIAGYGMSSA-N 1 1 307.398 1.782 20 5 DDBDMO CC(C)[N@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778965344 698387669 /nfs/dbraw/zinc/38/76/69/698387669.db2.gz BSWBNEGGRJMPKQ-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778965344 698387673 /nfs/dbraw/zinc/38/76/73/698387673.db2.gz BSWBNEGGRJMPKQ-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262534282 698473380 /nfs/dbraw/zinc/47/33/80/698473380.db2.gz QAUGDRVPDOWLRX-UONOGXRCSA-N 1 1 304.394 1.635 20 5 DDBDMO CNc1c(C(=O)NCC[N@H+]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000783913973 698891627 /nfs/dbraw/zinc/89/16/27/698891627.db2.gz FHEWKSDZIQPGPM-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO Nc1c(F)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785801482 699102641 /nfs/dbraw/zinc/10/26/41/699102641.db2.gz RENPUGLXZAKPHK-NXEZZACHSA-N 1 1 310.329 1.591 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788114516 699280047 /nfs/dbraw/zinc/28/00/47/699280047.db2.gz FCOOEUVZPJXXTJ-AAEUAGOBSA-N 1 1 308.338 1.351 20 5 DDBDMO COCC[NH+]1CCC(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788563811 699324306 /nfs/dbraw/zinc/32/43/06/699324306.db2.gz NWJPDLPOPIKBCY-LBPRGKRZSA-N 1 1 322.409 1.938 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000795754077 699889981 /nfs/dbraw/zinc/88/99/81/699889981.db2.gz YLVAMFAPWSIATR-LBPRGKRZSA-N 1 1 322.365 1.761 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000795754077 699889982 /nfs/dbraw/zinc/88/99/82/699889982.db2.gz YLVAMFAPWSIATR-LBPRGKRZSA-N 1 1 322.365 1.761 20 5 DDBDMO C[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000796115269 699913332 /nfs/dbraw/zinc/91/33/32/699913332.db2.gz WKVJCCAKWCELIJ-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000796115269 699913335 /nfs/dbraw/zinc/91/33/35/699913335.db2.gz WKVJCCAKWCELIJ-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@H](NC(=O)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000751348957 700281706 /nfs/dbraw/zinc/28/17/06/700281706.db2.gz CNVLATHEVWCLCI-LBPRGKRZSA-N 1 1 307.350 1.494 20 5 DDBDMO C[N@@H+](CCCN1CCOC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000801600314 700326524 /nfs/dbraw/zinc/32/65/24/700326524.db2.gz OAVAIUCYGGNCBP-UHFFFAOYSA-N 1 1 307.350 1.911 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801950082 700359839 /nfs/dbraw/zinc/35/98/39/700359839.db2.gz SMRNFFRMXUMSBU-UHFFFAOYSA-N 1 1 322.340 1.698 20 5 DDBDMO C[C@@H]1COCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000753985375 700473925 /nfs/dbraw/zinc/47/39/25/700473925.db2.gz HBVVJLHOCDDFKI-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO C[C@@H]1COCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000753985375 700473927 /nfs/dbraw/zinc/47/39/27/700473927.db2.gz HBVVJLHOCDDFKI-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000754222772 700490354 /nfs/dbraw/zinc/49/03/54/700490354.db2.gz DBFAIKMZGNGWIH-NSHDSACASA-N 1 1 306.366 1.652 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000754222772 700490356 /nfs/dbraw/zinc/49/03/56/700490356.db2.gz DBFAIKMZGNGWIH-NSHDSACASA-N 1 1 306.366 1.652 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000756861339 700646176 /nfs/dbraw/zinc/64/61/76/700646176.db2.gz CDYMXTXKMQGXLA-HNNXBMFYSA-N 1 1 317.349 1.718 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076320 700840456 /nfs/dbraw/zinc/84/04/56/700840456.db2.gz NRRLOSOLCXRHFT-WCQYABFASA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000761080659 700841264 /nfs/dbraw/zinc/84/12/64/700841264.db2.gz VBJCBSXPSPIZPJ-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000767618721 701123601 /nfs/dbraw/zinc/12/36/01/701123601.db2.gz YRKSUCLRSXKIMK-UHFFFAOYSA-N 1 1 307.310 1.320 20 5 DDBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839682855 701782421 /nfs/dbraw/zinc/78/24/21/701782421.db2.gz ANUWQWHOPWDAFT-GBJTYRQASA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839682855 701782424 /nfs/dbraw/zinc/78/24/24/701782424.db2.gz ANUWQWHOPWDAFT-GBJTYRQASA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839682855 701782427 /nfs/dbraw/zinc/78/24/27/701782427.db2.gz ANUWQWHOPWDAFT-GBJTYRQASA-N 1 1 309.410 1.765 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839728002 701799865 /nfs/dbraw/zinc/79/98/65/701799865.db2.gz GPRRFFZZKPYYDM-BZUAXINKSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839728002 701799869 /nfs/dbraw/zinc/79/98/69/701799869.db2.gz GPRRFFZZKPYYDM-BZUAXINKSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839728002 701799873 /nfs/dbraw/zinc/79/98/73/701799873.db2.gz GPRRFFZZKPYYDM-BZUAXINKSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@@H]21 ZINC000866205261 706648002 /nfs/dbraw/zinc/64/80/02/706648002.db2.gz KSZXBAMMVLAMDL-MNOVXSKESA-N 1 1 302.338 1.168 20 5 DDBDMO CO[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879320872 706648724 /nfs/dbraw/zinc/64/87/24/706648724.db2.gz JSHBEQYEORECAY-MELADBBJSA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000843893517 702939094 /nfs/dbraw/zinc/93/90/94/702939094.db2.gz OGNNCZXIKKXBTD-ZWNOBZJWSA-N 1 1 307.325 1.818 20 5 DDBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844447172 703032661 /nfs/dbraw/zinc/03/26/61/703032661.db2.gz MXLKAAFWJTVTBZ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844447172 703032664 /nfs/dbraw/zinc/03/26/64/703032664.db2.gz MXLKAAFWJTVTBZ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H]1[C@H](COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000845819060 703206255 /nfs/dbraw/zinc/20/62/55/703206255.db2.gz JRONVZORUOHRRO-ZJUUUORDSA-N 1 1 322.317 1.821 20 5 DDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000846835475 703339348 /nfs/dbraw/zinc/33/93/48/703339348.db2.gz BNPNHWSHEGRTGA-HIFRSBDPSA-N 1 1 316.361 1.851 20 5 DDBDMO COC(=O)[C@]12C[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000848491271 703556940 /nfs/dbraw/zinc/55/69/40/703556940.db2.gz RIICYIUZIHFJSH-BXUZGUMPSA-N 1 1 308.338 1.414 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000848491271 703556942 /nfs/dbraw/zinc/55/69/42/703556942.db2.gz RIICYIUZIHFJSH-BXUZGUMPSA-N 1 1 308.338 1.414 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000818959295 704035525 /nfs/dbraw/zinc/03/55/25/704035525.db2.gz HQCBESFHOLHNNH-BZUAXINKSA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000818959295 704035526 /nfs/dbraw/zinc/03/55/26/704035526.db2.gz HQCBESFHOLHNNH-BZUAXINKSA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000818963295 704035875 /nfs/dbraw/zinc/03/58/75/704035875.db2.gz NTSXJOWQFLYJAS-OFQRWUPVSA-N 1 1 305.378 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972943 704038819 /nfs/dbraw/zinc/03/88/19/704038819.db2.gz PHWLLUZTRRYJAF-WBMJQRKESA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972943 704038822 /nfs/dbraw/zinc/03/88/22/704038822.db2.gz PHWLLUZTRRYJAF-WBMJQRKESA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972943 704038829 /nfs/dbraw/zinc/03/88/29/704038829.db2.gz PHWLLUZTRRYJAF-WBMJQRKESA-N 1 1 305.378 1.702 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000853964783 704341447 /nfs/dbraw/zinc/34/14/47/704341447.db2.gz AMQFURYJWQCGDX-ZDUSSCGKSA-N 1 1 306.366 1.334 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859888399 705030903 /nfs/dbraw/zinc/03/09/03/705030903.db2.gz CTVTWRWJGBRGTR-YSOBRWQISA-N 1 1 324.402 1.614 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874830376 705189156 /nfs/dbraw/zinc/18/91/56/705189156.db2.gz RGOXYZHZWPMWFB-QWHCGFSZSA-N 1 1 319.361 1.912 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000823269999 705189543 /nfs/dbraw/zinc/18/95/43/705189543.db2.gz MRSUJFRLPPVQHO-SNVBAGLBSA-N 1 1 320.305 1.906 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874840450 705196128 /nfs/dbraw/zinc/19/61/28/705196128.db2.gz OBJVCMICRZAPKI-STQMWFEESA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000876170339 705647622 /nfs/dbraw/zinc/64/76/22/705647622.db2.gz ABQAPRRHHBFEBW-UHFFFAOYSA-N 1 1 306.366 1.750 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825970060 705752820 /nfs/dbraw/zinc/75/28/20/705752820.db2.gz USNJYLOMLVRRAR-WFASDCNBSA-N 1 1 321.377 1.428 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827346624 705982457 /nfs/dbraw/zinc/98/24/57/705982457.db2.gz PSBOFNCFIKVFKU-IUODEOHRSA-N 1 1 319.361 1.526 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865659273 706490157 /nfs/dbraw/zinc/49/01/57/706490157.db2.gz KNBYNLJEBYKTDJ-LBPRGKRZSA-N 1 1 311.357 1.669 20 5 DDBDMO CC(C)(O)CN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000865659273 706490159 /nfs/dbraw/zinc/49/01/59/706490159.db2.gz KNBYNLJEBYKTDJ-LBPRGKRZSA-N 1 1 311.357 1.669 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000865905427 706559164 /nfs/dbraw/zinc/55/91/64/706559164.db2.gz JTUUEFWVNBRWNA-MNOVXSKESA-N 1 1 306.322 1.891 20 5 DDBDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1 ZINC000880094874 706877083 /nfs/dbraw/zinc/87/70/83/706877083.db2.gz MZSCYGMMOWYSQD-UPJWGTAASA-N 1 1 321.377 1.929 20 5 DDBDMO C[C@H](NC(=O)CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000833029855 706999710 /nfs/dbraw/zinc/99/97/10/706999710.db2.gz PKSRVOUCOLFRDM-LBPRGKRZSA-N 1 1 307.350 1.494 20 5 DDBDMO C[C@]12C[NH2+]C[C@H]1CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000872152002 707305083 /nfs/dbraw/zinc/30/50/83/707305083.db2.gz JILVYCIPKZGAEC-BLLLJJGKSA-N 1 1 318.377 1.465 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000836847729 707529359 /nfs/dbraw/zinc/52/93/59/707529359.db2.gz CPKNRGABUXZECK-MFKMUULPSA-N 1 1 307.325 1.818 20 5 DDBDMO C[N@H+]1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1(C)C ZINC000882314388 707580046 /nfs/dbraw/zinc/58/00/46/707580046.db2.gz SREIZWKHHZEJMQ-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000837613342 707695814 /nfs/dbraw/zinc/69/58/14/707695814.db2.gz UFMKNMFONYSEES-NSHDSACASA-N 1 1 322.365 1.992 20 5 DDBDMO C[N@@H+](CCNc1ccc(F)cc1[N+](=O)[O-])CCOCCO ZINC000882951955 707868743 /nfs/dbraw/zinc/86/87/43/707868743.db2.gz CRZFMIPKYQZROW-UHFFFAOYSA-N 1 1 301.318 1.087 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000883079649 707920273 /nfs/dbraw/zinc/92/02/73/707920273.db2.gz ZBKVSNPIIUJTNU-LBPRGKRZSA-N 1 1 321.381 1.400 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000883170359 707946201 /nfs/dbraw/zinc/94/62/01/707946201.db2.gz RSHCSJCGJJDBDX-GFCCVEGCSA-N 1 1 322.365 1.497 20 5 DDBDMO COc1cccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222342 708259999 /nfs/dbraw/zinc/25/99/99/708259999.db2.gz UQGGXSVURIMMGA-OLZOCXBDSA-N 1 1 321.377 1.639 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000912599001 713042301 /nfs/dbraw/zinc/04/23/01/713042301.db2.gz NASPHADSEJRKQW-LSDHHAIUSA-N 1 1 321.377 1.081 20 5 DDBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098677 708697946 /nfs/dbraw/zinc/69/79/46/708697946.db2.gz PKHFKEMSRIYGQE-OLZOCXBDSA-N 1 1 304.350 1.480 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000886579299 708780769 /nfs/dbraw/zinc/78/07/69/708780769.db2.gz IEIFVKSIBZPONF-SUZMYJTESA-N 1 1 303.318 1.939 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000886597441 708787972 /nfs/dbraw/zinc/78/79/72/708787972.db2.gz DUCHYKXUMZBTDQ-GFCCVEGCSA-N 1 1 322.365 1.498 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)CCO ZINC000899741445 709185792 /nfs/dbraw/zinc/18/57/92/709185792.db2.gz XXCGPYKPASDRRP-VAWYXSNFSA-N 1 1 307.350 1.038 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000899911697 709235206 /nfs/dbraw/zinc/23/52/06/709235206.db2.gz VQEDLCSRTNIKNQ-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889783128 709633965 /nfs/dbraw/zinc/63/39/65/709633965.db2.gz VLWISJJKFTVIRV-HUUCEWRRSA-N 1 1 319.361 1.266 20 5 DDBDMO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900807968 709769899 /nfs/dbraw/zinc/76/98/99/709769899.db2.gz XMSLQNVDPQEXSA-GWCFXTLKSA-N 1 1 324.356 1.098 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910281812 709863709 /nfs/dbraw/zinc/86/37/09/709863709.db2.gz DWXGYGHNGRZSEO-NSHDSACASA-N 1 1 306.366 1.733 20 5 DDBDMO CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000891211365 710125389 /nfs/dbraw/zinc/12/53/89/710125389.db2.gz GIYKHOINHFMPNT-RKDXNWHRSA-N 1 1 309.288 1.185 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295345 713194063 /nfs/dbraw/zinc/19/40/63/713194063.db2.gz SLKIBWDMHJBSCS-CALCHBBNSA-N 1 1 317.389 1.938 20 5 DDBDMO CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928452604 713203463 /nfs/dbraw/zinc/20/34/63/713203463.db2.gz NFAFISGKRFEFLQ-JQWIXIFHSA-N 1 1 307.350 1.816 20 5 DDBDMO C[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C1CCC1 ZINC000911475084 710813430 /nfs/dbraw/zinc/81/34/30/710813430.db2.gz QHMKKDRNGNSNMH-UHFFFAOYSA-N 1 1 313.304 1.974 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639649 710834240 /nfs/dbraw/zinc/83/42/40/710834240.db2.gz QQBZDNZCGVXUPG-ZIAGYGMSSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902639649 710834242 /nfs/dbraw/zinc/83/42/42/710834242.db2.gz QQBZDNZCGVXUPG-ZIAGYGMSSA-N 1 1 317.349 1.920 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928553723 713223582 /nfs/dbraw/zinc/22/35/82/713223582.db2.gz DIXFWTYMYMAMMU-SECBINFHSA-N 1 1 315.732 1.750 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739895 711262794 /nfs/dbraw/zinc/26/27/94/711262794.db2.gz AXMSJKFAXPKWHH-UONOGXRCSA-N 1 1 319.409 1.866 20 5 DDBDMO Cc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000894957751 711338825 /nfs/dbraw/zinc/33/88/25/711338825.db2.gz IZDFHIRTYNPXRQ-UHFFFAOYSA-N 1 1 324.356 1.253 20 5 DDBDMO C[C@H]1[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738217 711591210 /nfs/dbraw/zinc/59/12/10/711591210.db2.gz IATWKYPQOBCONY-ONGXEEELSA-N 1 1 313.379 1.503 20 5 DDBDMO C[C@H]1[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895738217 711591212 /nfs/dbraw/zinc/59/12/12/711591212.db2.gz IATWKYPQOBCONY-ONGXEEELSA-N 1 1 313.379 1.503 20 5 DDBDMO COC(=O)/C=C\c1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895777742 711604209 /nfs/dbraw/zinc/60/42/09/711604209.db2.gz WVGVSDPGOHAWBY-TXNVCOODSA-N 1 1 305.334 1.897 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896564692 711753530 /nfs/dbraw/zinc/75/35/30/711753530.db2.gz RMMPEWVQQXOFSJ-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643917 712104953 /nfs/dbraw/zinc/10/49/53/712104953.db2.gz OLJQCUOLNWWVKV-UONOGXRCSA-N 1 1 307.394 1.745 20 5 DDBDMO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643917 712104954 /nfs/dbraw/zinc/10/49/54/712104954.db2.gz OLJQCUOLNWWVKV-UONOGXRCSA-N 1 1 307.394 1.745 20 5 DDBDMO COc1ccc(NC(=O)C2CN(C)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000907301131 712537413 /nfs/dbraw/zinc/53/74/13/712537413.db2.gz UNJCJNJSCLYZCM-UHFFFAOYSA-N 1 1 322.365 1.035 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000907803965 712628891 /nfs/dbraw/zinc/62/88/91/712628891.db2.gz OXADUAQGFRZCST-BETUJISGSA-N 1 1 303.362 1.845 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000918395369 713541375 /nfs/dbraw/zinc/54/13/75/713541375.db2.gz PFGDKGPWFWTKKD-JTQLQIEISA-N 1 1 308.294 1.327 20 5 DDBDMO COC/C(C)=C/C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000930681230 713894217 /nfs/dbraw/zinc/89/42/17/713894217.db2.gz UKJUGHWQAUTBOS-WLRTZDKTSA-N 1 1 306.366 1.705 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914218 713956907 /nfs/dbraw/zinc/95/69/07/713956907.db2.gz GWZRQAHPYKHLRD-JHJVBQTASA-N 1 1 321.377 1.948 20 5 DDBDMO C[NH+](C)CC1(O)CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000931480643 714107683 /nfs/dbraw/zinc/10/76/83/714107683.db2.gz HNBNXDPRDMCAQM-UHFFFAOYSA-N 1 1 309.366 1.189 20 5 DDBDMO COC1(OC)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931639129 714146272 /nfs/dbraw/zinc/14/62/72/714146272.db2.gz HRXSNKGRYHOMBD-RISCZKNCSA-N 1 1 310.350 1.712 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000922951105 714195912 /nfs/dbraw/zinc/19/59/12/714195912.db2.gz JMZRZJLKSXTHNR-MRXNPFEDSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000922951105 714195915 /nfs/dbraw/zinc/19/59/15/714195915.db2.gz JMZRZJLKSXTHNR-MRXNPFEDSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@]1(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC000932102057 714259166 /nfs/dbraw/zinc/25/91/66/714259166.db2.gz MQLVJYHZSOSVKS-OAHLLOKOSA-N 1 1 320.349 1.700 20 5 DDBDMO CCO[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000932973828 714447239 /nfs/dbraw/zinc/44/72/39/714447239.db2.gz LQKSXHUSAMGPCD-LSDHHAIUSA-N 1 1 319.361 1.811 20 5 DDBDMO CCO[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000932973828 714447240 /nfs/dbraw/zinc/44/72/40/714447240.db2.gz LQKSXHUSAMGPCD-LSDHHAIUSA-N 1 1 319.361 1.811 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721527 714655193 /nfs/dbraw/zinc/65/51/93/714655193.db2.gz FWFUXRIFYVFPGX-UPJWGTAASA-N 1 1 324.402 1.941 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721527 714655196 /nfs/dbraw/zinc/65/51/96/714655196.db2.gz FWFUXRIFYVFPGX-UPJWGTAASA-N 1 1 324.402 1.941 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C2OCCO2)cc1 ZINC000933902373 714697327 /nfs/dbraw/zinc/69/73/27/714697327.db2.gz ZNTPYTDCSFMBHB-KBPBESRZSA-N 1 1 308.334 1.466 20 5 DDBDMO C[N@@H+](CCO)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000924996903 714721009 /nfs/dbraw/zinc/72/10/09/714721009.db2.gz CBPYZXJGCVYSBH-UHFFFAOYSA-N 1 1 319.720 1.041 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925317532 714806901 /nfs/dbraw/zinc/80/69/01/714806901.db2.gz MCKAOCIKYMURRK-YPMHNXCESA-N 1 1 306.366 1.829 20 5 DDBDMO C[C@@](CO)([NH2+]CC[N+](=O)[O-])c1cccc(Br)c1 ZINC000934492282 714832914 /nfs/dbraw/zinc/83/29/14/714832914.db2.gz AVXSQEBUWWLVAX-NSHDSACASA-N 1 1 303.156 1.523 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000935663223 715112725 /nfs/dbraw/zinc/11/27/25/715112725.db2.gz PTQBLFVXBLGYAW-CYBMUJFWSA-N 1 1 321.381 1.233 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC001123375835 746378328 /nfs/dbraw/zinc/37/83/28/746378328.db2.gz OIONZZFATFNVOD-NSHDSACASA-N 1 1 308.338 1.360 20 5 DDBDMO CCCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200472927 748265137 /nfs/dbraw/zinc/26/51/37/748265137.db2.gz VCVXVPYCZUBEOO-ZIAGYGMSSA-N 1 1 313.398 1.049 20 5 DDBDMO Cc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052442 762206997 /nfs/dbraw/zinc/20/69/97/762206997.db2.gz FXQUKIUJJHCXMG-HZSPNIEDSA-N 1 1 306.366 1.684 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329370 766254709 /nfs/dbraw/zinc/25/47/09/766254709.db2.gz PMPRZXWUOCNROL-NHYWBVRUSA-N 1 1 312.341 1.941 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329370 766254719 /nfs/dbraw/zinc/25/47/19/766254719.db2.gz PMPRZXWUOCNROL-NHYWBVRUSA-N 1 1 312.341 1.941 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001096242956 768738537 /nfs/dbraw/zinc/73/85/37/768738537.db2.gz JXNMUXNJNSFVHU-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO C[NH+](C)CCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001133040116 769424686 /nfs/dbraw/zinc/42/46/86/769424686.db2.gz BSVKNIMQWBENPT-UHFFFAOYSA-N 1 1 308.382 1.142 20 5 DDBDMO CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048646465 769629555 /nfs/dbraw/zinc/62/95/55/769629555.db2.gz WJPRGFVEZULOAO-TXEJJXNPSA-N 1 1 321.381 1.019 20 5 DDBDMO CCCC(=O)N1C[C@@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048646465 769629558 /nfs/dbraw/zinc/62/95/58/769629558.db2.gz WJPRGFVEZULOAO-TXEJJXNPSA-N 1 1 321.381 1.019 20 5 DDBDMO CC(C)(C)OC(=O)c1ccc(N[C@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900952 771899809 /nfs/dbraw/zinc/89/98/09/771899809.db2.gz RSWMNKZDWKJPJZ-ZDUSSCGKSA-N 1 1 324.381 1.986 20 5 DDBDMO CC(=O)N1CC(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C1 ZINC001171081839 772267979 /nfs/dbraw/zinc/26/79/79/772267979.db2.gz LSYFOCSRRCLMJJ-UHFFFAOYSA-N 1 1 304.350 1.225 20 5 DDBDMO CC(=O)N1CC(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C1 ZINC001171081839 772267984 /nfs/dbraw/zinc/26/79/84/772267984.db2.gz LSYFOCSRRCLMJJ-UHFFFAOYSA-N 1 1 304.350 1.225 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110158550 775939224 /nfs/dbraw/zinc/93/92/24/775939224.db2.gz KOZZPINYNSAJBE-UHFFFAOYSA-N 1 1 320.393 1.996 20 5 DDBDMO O=C1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCN1 ZINC001172906395 776916817 /nfs/dbraw/zinc/91/68/17/776916817.db2.gz XQBSTTHIZSYPLK-AWEZNQCLSA-N 1 1 303.362 1.664 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001173222790 777056249 /nfs/dbraw/zinc/05/62/49/777056249.db2.gz VPBHAYCIMQMLMB-NQZOLGFYSA-N 1 1 320.389 1.998 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001173224855 777058938 /nfs/dbraw/zinc/05/89/38/777058938.db2.gz HLLUUNVAUXLRFI-PBHICJAKSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001173235016 777064342 /nfs/dbraw/zinc/06/43/42/777064342.db2.gz VRLCJZFGPUTVIN-WFASDCNBSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001173235016 777064346 /nfs/dbraw/zinc/06/43/46/777064346.db2.gz VRLCJZFGPUTVIN-WFASDCNBSA-N 1 1 319.361 1.069 20 5 DDBDMO CNc1ccc(C(=O)NCc2[nH]c(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC001178441578 779030495 /nfs/dbraw/zinc/03/04/95/779030495.db2.gz LGYVTINIHQUBMP-UHFFFAOYSA-N 1 1 303.322 1.906 20 5 DDBDMO O=C(NCC[NH+]1CC=CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001116201551 780484563 /nfs/dbraw/zinc/48/45/63/780484563.db2.gz VZYLOLPUARHIKA-UHFFFAOYSA-N 1 1 301.302 1.943 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001267313946 837810320 /nfs/dbraw/zinc/81/03/20/837810320.db2.gz CCKJUBDDQWVWJJ-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001267313946 837810330 /nfs/dbraw/zinc/81/03/30/837810330.db2.gz CCKJUBDDQWVWJJ-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC(C)(C)C1 ZINC001267313946 837810341 /nfs/dbraw/zinc/81/03/41/837810341.db2.gz CCKJUBDDQWVWJJ-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO COCC1(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266297530 836073502 /nfs/dbraw/zinc/07/35/02/836073502.db2.gz NQFVZFYUWAZSHX-UHFFFAOYSA-N 1 1 321.377 1.569 20 5 DDBDMO COCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266297530 836073513 /nfs/dbraw/zinc/07/35/13/836073513.db2.gz NQFVZFYUWAZSHX-UHFFFAOYSA-N 1 1 321.377 1.569 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001327616167 862320809 /nfs/dbraw/zinc/32/08/09/862320809.db2.gz KNTJAEAFWZBBBN-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001156837419 863383205 /nfs/dbraw/zinc/38/32/05/863383205.db2.gz UGBDMTKTINKLLG-LLVKDONJSA-N 1 1 321.381 1.492 20 5 DDBDMO COc1cc(C)nc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157266357 863695490 /nfs/dbraw/zinc/69/54/90/863695490.db2.gz RBEHOKKRAQEZAW-VXGBXAGGSA-N 1 1 306.366 1.837 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@@H](O)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001158542399 864715952 /nfs/dbraw/zinc/71/59/52/864715952.db2.gz FTRNROLFUOUFEC-HMDXOVGESA-N 1 1 320.271 1.857 20 5 DDBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc([N+](=O)[O-])cn3)C[C@H]1[N@H+]2C ZINC001225634007 881951067 /nfs/dbraw/zinc/95/10/67/881951067.db2.gz COYOZRZQNGJDMB-IGQOVBAYSA-N 1 1 321.333 1.535 20 5 DDBDMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(F)F ZINC001319966301 866406191 /nfs/dbraw/zinc/40/61/91/866406191.db2.gz IJJSVJOPHLHFMP-UHFFFAOYSA-N 1 1 301.293 1.750 20 5 DDBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(F)F ZINC001319966301 866406197 /nfs/dbraw/zinc/40/61/97/866406197.db2.gz IJJSVJOPHLHFMP-UHFFFAOYSA-N 1 1 301.293 1.750 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(COC3)O1)CC2 ZINC001333118172 866436107 /nfs/dbraw/zinc/43/61/07/866436107.db2.gz ICSYTRSUVIOPTN-HNNXBMFYSA-N 1 1 304.346 1.901 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(COC3)O1)CC2 ZINC001333118172 866436110 /nfs/dbraw/zinc/43/61/10/866436110.db2.gz ICSYTRSUVIOPTN-HNNXBMFYSA-N 1 1 304.346 1.901 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001320963607 867155889 /nfs/dbraw/zinc/15/58/89/867155889.db2.gz VJHIBKUKEDXRQO-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO C[N@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001162336432 867467036 /nfs/dbraw/zinc/46/70/36/867467036.db2.gz BILCWSLBRWGOKN-LBPRGKRZSA-N 1 1 300.746 1.778 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@@H]3CCNC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001162337982 867469576 /nfs/dbraw/zinc/46/95/76/867469576.db2.gz DIHXPQOZYBYPOC-LLVKDONJSA-N 1 1 318.377 1.521 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@@H]3CCNC(=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001162337982 867469587 /nfs/dbraw/zinc/46/95/87/867469587.db2.gz DIHXPQOZYBYPOC-LLVKDONJSA-N 1 1 318.377 1.521 20 5 DDBDMO CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322506069 868211719 /nfs/dbraw/zinc/21/17/19/868211719.db2.gz VECOAHHRIBPSAZ-ZIAGYGMSSA-N 1 1 309.341 1.429 20 5 DDBDMO C[C@H]1CC[C@@H](CO)N1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164309341 869113005 /nfs/dbraw/zinc/11/30/05/869113005.db2.gz FIBUUPZUFKSFAP-XTYWZOAOSA-N 1 1 306.366 1.872 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001165262515 869476892 /nfs/dbraw/zinc/47/68/92/869476892.db2.gz VTDVYXVCAOTRJM-JTQLQIEISA-N 1 1 304.354 1.962 20 5 DDBDMO CN(CCNCc1csc([N+](=O)[O-])c1)C(=O)CC[NH+](C)C ZINC001317623309 871230306 /nfs/dbraw/zinc/23/03/06/871230306.db2.gz KADYVSSVFPPMMH-UHFFFAOYSA-N 1 1 314.411 1.156 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C1N=NC(=O)N1C ZINC001308846944 871530778 /nfs/dbraw/zinc/53/07/78/871530778.db2.gz XPBPMPUNZUUDLM-JTQLQIEISA-N 1 1 305.338 1.897 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001205555934 871628240 /nfs/dbraw/zinc/62/82/40/871628240.db2.gz YKLVIOFQBPOHLL-OAHLLOKOSA-N 1 1 323.349 1.267 20 5 DDBDMO Nc1ncc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001300131226 876970570 /nfs/dbraw/zinc/97/05/70/876970570.db2.gz ODWSCNNCXSVDSC-RYUDHWBXSA-N 1 1 319.365 1.319 20 5 DDBDMO CC[N@H+]1CC[C@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223641643 881037514 /nfs/dbraw/zinc/03/75/14/881037514.db2.gz BWAWFJWQFFSOLE-FZMZJTMJSA-N 1 1 308.334 1.920 20 5 DDBDMO COc1cccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001223812892 881106954 /nfs/dbraw/zinc/10/69/54/881106954.db2.gz RLUISUQMTHJRFZ-LNSITVRQSA-N 1 1 320.345 1.924 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](OCCc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224331279 881332282 /nfs/dbraw/zinc/33/22/82/881332282.db2.gz ONZDRETXIYNMIX-IMJJTQAJSA-N 1 1 304.346 1.958 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242786 883403311 /nfs/dbraw/zinc/40/33/11/883403311.db2.gz RQCCDTDCWGZGRN-JTQLQIEISA-N 1 1 304.306 1.717 20 5 DDBDMO C[N@H+]1CCC[C@H](Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242706 883404012 /nfs/dbraw/zinc/40/40/12/883404012.db2.gz RDCYPXLCQHTGFP-JTQLQIEISA-N 1 1 304.306 1.717 20 5 DDBDMO C[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC001290900462 913537353 /nfs/dbraw/zinc/53/73/53/913537353.db2.gz UYGRNIOCIRWHMR-QWRGUYRKSA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)C(F)(F)F ZINC001254534729 896491637 /nfs/dbraw/zinc/49/16/37/896491637.db2.gz CBXBIZJJAJOOCO-SECBINFHSA-N 1 1 319.283 1.794 20 5 DDBDMO CN1CCO[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]21 ZINC001254593921 896521057 /nfs/dbraw/zinc/52/10/57/896521057.db2.gz BULMUPHZKPLLIM-OAGGEKHMSA-N 1 1 303.362 1.077 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254603452 896526602 /nfs/dbraw/zinc/52/66/02/896526602.db2.gz NGPTYYNHPHAOIR-HOCLYGCPSA-N 1 1 317.345 1.636 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1O ZINC000614661517 361967732 /nfs/dbraw/zinc/96/77/32/361967732.db2.gz KLGVOJKKCKPLNO-MFKMUULPSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1O ZINC000614661517 361967737 /nfs/dbraw/zinc/96/77/37/361967737.db2.gz KLGVOJKKCKPLNO-MFKMUULPSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249566763 282174134 /nfs/dbraw/zinc/17/41/34/282174134.db2.gz NFEFQCMPAUSPEK-BXUZGUMPSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249566763 282174139 /nfs/dbraw/zinc/17/41/39/282174139.db2.gz NFEFQCMPAUSPEK-BXUZGUMPSA-N 1 1 307.350 1.559 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295792670 529503807 /nfs/dbraw/zinc/50/38/07/529503807.db2.gz VHFBNRIOHDXCLK-JTQLQIEISA-N 1 1 315.757 1.889 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295792670 529503808 /nfs/dbraw/zinc/50/38/08/529503808.db2.gz VHFBNRIOHDXCLK-JTQLQIEISA-N 1 1 315.757 1.889 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000452395976 231376803 /nfs/dbraw/zinc/37/68/03/231376803.db2.gz XNXQBQWXHKBLMA-CQSZACIVSA-N 1 1 307.350 1.171 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452395052 231376973 /nfs/dbraw/zinc/37/69/73/231376973.db2.gz VZJZPJYSFNBUNV-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO COc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266422727 282302471 /nfs/dbraw/zinc/30/24/71/282302471.db2.gz SHCFYVYDMORFAT-LBPRGKRZSA-N 1 1 308.382 1.651 20 5 DDBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000305759266 529926080 /nfs/dbraw/zinc/92/60/80/529926080.db2.gz CQEHQXCNQIVBGF-NSHDSACASA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000305759266 529926082 /nfs/dbraw/zinc/92/60/82/529926082.db2.gz CQEHQXCNQIVBGF-NSHDSACASA-N 1 1 308.256 1.829 20 5 DDBDMO COC(=O)c1cc(N2CC[N@@H+](C)C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000615494270 362307181 /nfs/dbraw/zinc/30/71/81/362307181.db2.gz LSTBMBXALMFBRN-NSHDSACASA-N 1 1 307.350 1.830 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000293025980 282361285 /nfs/dbraw/zinc/36/12/85/282361285.db2.gz FVSVUIIQRSXRBT-QWHCGFSZSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330918570 232161445 /nfs/dbraw/zinc/16/14/45/232161445.db2.gz XMDBFEPJPFLFJU-VXGBXAGGSA-N 1 1 307.350 1.573 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(CO)CCOCC1 ZINC000616828677 362836735 /nfs/dbraw/zinc/83/67/35/362836735.db2.gz CXEVTXHMGZPWED-UHFFFAOYSA-N 1 1 321.333 1.709 20 5 DDBDMO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000279884199 215204541 /nfs/dbraw/zinc/20/45/41/215204541.db2.gz UMNYLOAPPWUQNT-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000279884199 215204545 /nfs/dbraw/zinc/20/45/45/215204545.db2.gz UMNYLOAPPWUQNT-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO NC(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000028078941 352228013 /nfs/dbraw/zinc/22/80/13/352228013.db2.gz XCRWNPQMSMEKLD-UHFFFAOYSA-N 1 1 321.333 1.033 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000041929301 352318702 /nfs/dbraw/zinc/31/87/02/352318702.db2.gz OOHMKXCXPMQEAF-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000053506615 352659520 /nfs/dbraw/zinc/65/95/20/352659520.db2.gz DXIBHCWGSSQEQO-HOTGVXAUSA-N 1 1 317.389 1.741 20 5 DDBDMO CS(=O)(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054146203 352680411 /nfs/dbraw/zinc/68/04/11/352680411.db2.gz BLRBCCJGRDIREO-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491559440 234202745 /nfs/dbraw/zinc/20/27/45/234202745.db2.gz ALRYNXZWEOXSGJ-AFNCTOJWSA-N 1 1 319.361 1.445 20 5 DDBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072977168 191261276 /nfs/dbraw/zinc/26/12/76/191261276.db2.gz VBUIJGMBZHQSDZ-GFCCVEGCSA-N 1 1 321.377 1.942 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174195810 198304858 /nfs/dbraw/zinc/30/48/58/198304858.db2.gz YCXZCRLNPFVJJO-CYBMUJFWSA-N 1 1 319.361 1.389 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000174321518 198319471 /nfs/dbraw/zinc/31/94/71/198319471.db2.gz VBIKHVAJGDKCAG-NSHDSACASA-N 1 1 321.381 1.438 20 5 DDBDMO Cc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074750078 353328510 /nfs/dbraw/zinc/32/85/10/353328510.db2.gz QNDKLDVDFSFDSI-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174534638 198348775 /nfs/dbraw/zinc/34/87/75/198348775.db2.gz MUWRMJKOXFZQHR-CQSZACIVSA-N 1 1 305.378 1.938 20 5 DDBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076403968 353418712 /nfs/dbraw/zinc/41/87/12/353418712.db2.gz ZIRIQXHFRWVYKK-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000076403968 353418716 /nfs/dbraw/zinc/41/87/16/353418716.db2.gz ZIRIQXHFRWVYKK-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000174703881 198373093 /nfs/dbraw/zinc/37/30/93/198373093.db2.gz FBDHPAMSJHYYHN-GFCCVEGCSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1cnc(N(C)CCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078662072 353527376 /nfs/dbraw/zinc/52/73/76/353527376.db2.gz GJWWZIYLPMZBGC-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]c1 ZINC000079403851 353560619 /nfs/dbraw/zinc/56/06/19/353560619.db2.gz HWQVUXSRDLJOMV-UHFFFAOYSA-N 1 1 303.322 1.858 20 5 DDBDMO Cc1c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000083244979 353709154 /nfs/dbraw/zinc/70/91/54/353709154.db2.gz ZEZWHDJFHOANEX-OAHLLOKOSA-N 1 1 323.393 1.028 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000093332118 353895464 /nfs/dbraw/zinc/89/54/64/353895464.db2.gz DZSQEQUULCUGQU-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000093332118 353895467 /nfs/dbraw/zinc/89/54/67/353895467.db2.gz DZSQEQUULCUGQU-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)s2)cc1 ZINC000093483525 353901686 /nfs/dbraw/zinc/90/16/86/353901686.db2.gz UQKGWDYLRUQTNG-OKILXGFUSA-N 1 1 320.370 1.861 20 5 DDBDMO Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154686079 354207491 /nfs/dbraw/zinc/20/74/91/354207491.db2.gz HTJOYPOEBNDORL-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154686079 354207493 /nfs/dbraw/zinc/20/74/93/354207493.db2.gz HTJOYPOEBNDORL-BXUZGUMPSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1C ZINC000164712226 354247621 /nfs/dbraw/zinc/24/76/21/354247621.db2.gz FENDGUFXEHEHSD-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1C ZINC000164712226 354247624 /nfs/dbraw/zinc/24/76/24/354247624.db2.gz FENDGUFXEHEHSD-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1cc(N)c([N+](=O)[O-])c(CO)c1)CC2 ZINC000588011474 354893261 /nfs/dbraw/zinc/89/32/61/354893261.db2.gz UEKPRZHXPBNXKA-UHFFFAOYSA-N 1 1 320.393 1.734 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863024 354944544 /nfs/dbraw/zinc/94/45/44/354944544.db2.gz NYGMJSNDNLUBLN-UONOGXRCSA-N 1 1 319.361 1.184 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000588966438 354952555 /nfs/dbraw/zinc/95/25/55/354952555.db2.gz ZIMUGFGVIKAJEX-DOMZBBRYSA-N 1 1 310.350 1.039 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000589494152 354996184 /nfs/dbraw/zinc/99/61/84/354996184.db2.gz GCHYUJLICWYEEL-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000589494152 354996187 /nfs/dbraw/zinc/99/61/87/354996187.db2.gz GCHYUJLICWYEEL-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590045784 355043459 /nfs/dbraw/zinc/04/34/59/355043459.db2.gz WDLCLIMWJLGGEL-WFASDCNBSA-N 1 1 319.361 1.445 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590441781 355095508 /nfs/dbraw/zinc/09/55/08/355095508.db2.gz FCGFGKYRIZNOIE-BXKDBHETSA-N 1 1 319.317 1.100 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590443362 355097901 /nfs/dbraw/zinc/09/79/01/355097901.db2.gz IMZHFRHEEDPNJG-BXUZGUMPSA-N 1 1 305.334 1.136 20 5 DDBDMO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000590452373 355100471 /nfs/dbraw/zinc/10/04/71/355100471.db2.gz BNIRHWZXANYHLC-SNVBAGLBSA-N 1 1 307.354 1.264 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592750873 355675020 /nfs/dbraw/zinc/67/50/20/355675020.db2.gz CENRJBHFCJJARB-ZWNOBZJWSA-N 1 1 307.350 1.560 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070265 355786449 /nfs/dbraw/zinc/78/64/49/355786449.db2.gz VYTWCBRCFGPTNF-GJZGRUSLSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063570 356103941 /nfs/dbraw/zinc/10/39/41/356103941.db2.gz IGXQALUFLNGGLL-WCQYABFASA-N 1 1 310.350 1.180 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594419173 356204555 /nfs/dbraw/zinc/20/45/55/356204555.db2.gz OJMRLSQAHZWMIK-STQMWFEESA-N 1 1 318.377 1.924 20 5 DDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000594651936 356275731 /nfs/dbraw/zinc/27/57/31/356275731.db2.gz PMVGDBONKBGAAF-HNNXBMFYSA-N 1 1 317.349 1.191 20 5 DDBDMO O=[N+]([O-])c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000594651936 356275735 /nfs/dbraw/zinc/27/57/35/356275735.db2.gz PMVGDBONKBGAAF-HNNXBMFYSA-N 1 1 317.349 1.191 20 5 DDBDMO COC[C@H](C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000595370248 356468283 /nfs/dbraw/zinc/46/82/83/356468283.db2.gz FYIHJIZBXWPYNJ-AAEUAGOBSA-N 1 1 310.354 1.137 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744674 356632105 /nfs/dbraw/zinc/63/21/05/356632105.db2.gz LRQHOAVMZPMEKQ-ATCWAGBWSA-N 1 1 321.377 1.790 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744674 356632108 /nfs/dbraw/zinc/63/21/08/356632108.db2.gz LRQHOAVMZPMEKQ-ATCWAGBWSA-N 1 1 321.377 1.790 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756463 356638684 /nfs/dbraw/zinc/63/86/84/356638684.db2.gz GGPQELHCEMFEBK-WBMJQRKESA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758441 356639451 /nfs/dbraw/zinc/63/94/51/356639451.db2.gz MYBJAFYYLDLOPZ-ZENOOKHLSA-N 1 1 322.361 1.303 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761679 356641851 /nfs/dbraw/zinc/64/18/51/356641851.db2.gz ZBHXHELHKJDLTN-WFASDCNBSA-N 1 1 305.334 1.162 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876237 356688310 /nfs/dbraw/zinc/68/83/10/356688310.db2.gz RCSWIXFKNAAHQK-MLGOLLRUSA-N 1 1 321.377 1.874 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000596239199 356828818 /nfs/dbraw/zinc/82/88/18/356828818.db2.gz ZFOVDTBEGOXWNG-VIFPVBQESA-N 1 1 301.306 1.386 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000596239199 356828821 /nfs/dbraw/zinc/82/88/21/356828821.db2.gz ZFOVDTBEGOXWNG-VIFPVBQESA-N 1 1 301.306 1.386 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596539344 356911234 /nfs/dbraw/zinc/91/12/34/356911234.db2.gz OWZYBHRZVFBSHM-CQSZACIVSA-N 1 1 305.378 1.939 20 5 DDBDMO C[NH2+]C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000237249693 202204817 /nfs/dbraw/zinc/20/48/17/202204817.db2.gz HFWJJXCGKUJCLZ-JTQLQIEISA-N 1 1 317.349 1.543 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000598343861 357546422 /nfs/dbraw/zinc/54/64/22/357546422.db2.gz WYEAXESMVXJHCR-SNVBAGLBSA-N 1 1 309.370 1.655 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598628153 357660681 /nfs/dbraw/zinc/66/06/81/357660681.db2.gz OMZHWJADSRMIKA-AOOOYVTPSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598628153 357660683 /nfs/dbraw/zinc/66/06/83/357660683.db2.gz OMZHWJADSRMIKA-AOOOYVTPSA-N 1 1 308.338 1.305 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598643498 357666300 /nfs/dbraw/zinc/66/63/00/357666300.db2.gz LMUYIPKAVOKOKM-NFAWXSAZSA-N 1 1 324.377 1.285 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000598645107 357667311 /nfs/dbraw/zinc/66/73/11/357667311.db2.gz DOKXKCKRNLTKSL-SMDDNHRTSA-N 1 1 322.361 1.912 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598561310 357632996 /nfs/dbraw/zinc/63/29/96/357632996.db2.gz PQCAJDRDFZKVKD-ZDUSSCGKSA-N 1 1 321.381 1.030 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598740668 357711095 /nfs/dbraw/zinc/71/10/95/357711095.db2.gz VGXCKGJETJDVCH-UHFFFAOYSA-N 1 1 308.338 1.300 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000599680555 358022835 /nfs/dbraw/zinc/02/28/35/358022835.db2.gz GJAVMWSPAOGPFP-SGIREYDYSA-N 1 1 319.361 1.769 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599704194 358033330 /nfs/dbraw/zinc/03/33/30/358033330.db2.gz QKGOGXSPNJXWMT-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1C ZINC000601109810 358405238 /nfs/dbraw/zinc/40/52/38/358405238.db2.gz ZPXLFDRYGWENPJ-SSDOTTSWSA-N 1 1 307.276 1.853 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116517 358409285 /nfs/dbraw/zinc/40/92/85/358409285.db2.gz MJSYSBCOUOXPEB-UHFFFAOYSA-N 1 1 312.345 1.412 20 5 DDBDMO C[NH+]1CCN(CCCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103526 358403581 /nfs/dbraw/zinc/40/35/81/358403581.db2.gz CHPGKQSDWKUZNV-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO COC[C@](C)(O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601171022 358431320 /nfs/dbraw/zinc/43/13/20/358431320.db2.gz ZDTJIOAORJFRMZ-OAHLLOKOSA-N 1 1 305.334 1.764 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000601970794 358759212 /nfs/dbraw/zinc/75/92/12/358759212.db2.gz QAJUUATZNRONTQ-OAHLLOKOSA-N 1 1 321.377 1.916 20 5 DDBDMO Cn1cc(CN2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000602476484 359004292 /nfs/dbraw/zinc/00/42/92/359004292.db2.gz OTKQBHZVSXEOMK-UHFFFAOYSA-N 1 1 309.414 1.882 20 5 DDBDMO C[S@](=O)C1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602655355 359104568 /nfs/dbraw/zinc/10/45/68/359104568.db2.gz JXEVKFLBIPAGTK-NRFANRHFSA-N 1 1 309.347 1.737 20 5 DDBDMO Cn1cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602672281 359116496 /nfs/dbraw/zinc/11/64/96/359116496.db2.gz YFCDZFMKQWRNSF-CQSZACIVSA-N 1 1 304.350 1.364 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602672281 359116501 /nfs/dbraw/zinc/11/65/01/359116501.db2.gz YFCDZFMKQWRNSF-CQSZACIVSA-N 1 1 304.350 1.364 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602837806 359227371 /nfs/dbraw/zinc/22/73/71/359227371.db2.gz AAEUEOCDPILXJZ-GXSJLCMTSA-N 1 1 322.287 1.345 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602938986 359307302 /nfs/dbraw/zinc/30/73/02/359307302.db2.gz ZSBZFHCTLPYWRT-GTTSAUCSSA-N 1 1 317.345 1.640 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+](C)C2CC2)c1 ZINC000281165624 216124246 /nfs/dbraw/zinc/12/42/46/216124246.db2.gz IMMLQCCNDJZICP-UHFFFAOYSA-N 1 1 321.377 1.883 20 5 DDBDMO CS(=O)(=O)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292404017 223055177 /nfs/dbraw/zinc/05/51/77/223055177.db2.gz ZBHMCSJUJBPHDD-ZDUSSCGKSA-N 1 1 312.391 1.504 20 5 DDBDMO CS(=O)(=O)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292404017 223055179 /nfs/dbraw/zinc/05/51/79/223055179.db2.gz ZBHMCSJUJBPHDD-ZDUSSCGKSA-N 1 1 312.391 1.504 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359018713 299307774 /nfs/dbraw/zinc/30/77/74/299307774.db2.gz MVIHXQXZNOQYSK-TXEJJXNPSA-N 1 1 321.381 1.796 20 5 DDBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609619897 360336345 /nfs/dbraw/zinc/33/63/45/360336345.db2.gz WXEPAWOUDNVBTH-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CN1CCC[N@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609619897 360336348 /nfs/dbraw/zinc/33/63/48/360336348.db2.gz WXEPAWOUDNVBTH-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000609619897 360336352 /nfs/dbraw/zinc/33/63/52/360336352.db2.gz WXEPAWOUDNVBTH-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO C[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000610271197 360404782 /nfs/dbraw/zinc/40/47/82/360404782.db2.gz JWMXABVBMAZRSW-WCQYABFASA-N 1 1 321.377 1.938 20 5 DDBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000610899535 360567465 /nfs/dbraw/zinc/56/74/65/360567465.db2.gz YYGOFWFMAJOMNP-SMDDNHRTSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610899535 360567471 /nfs/dbraw/zinc/56/74/71/360567471.db2.gz YYGOFWFMAJOMNP-SMDDNHRTSA-N 1 1 322.365 1.113 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611084680 360617592 /nfs/dbraw/zinc/61/75/92/360617592.db2.gz JKUMCPRCJLCWIP-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000611084680 360617595 /nfs/dbraw/zinc/61/75/95/360617595.db2.gz JKUMCPRCJLCWIP-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201349 360657383 /nfs/dbraw/zinc/65/73/83/360657383.db2.gz UAPCPWTVCHOIQV-IUODEOHRSA-N 1 1 318.377 1.162 20 5 DDBDMO COc1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000611516705 360744479 /nfs/dbraw/zinc/74/44/79/360744479.db2.gz DCOFHZXKSVRTIL-AWEZNQCLSA-N 1 1 321.377 1.510 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577241 360765524 /nfs/dbraw/zinc/76/55/24/360765524.db2.gz HADDUTQAAYYCLU-LLVKDONJSA-N 1 1 317.292 1.460 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577241 360765525 /nfs/dbraw/zinc/76/55/25/360765525.db2.gz HADDUTQAAYYCLU-LLVKDONJSA-N 1 1 317.292 1.460 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287259 216212364 /nfs/dbraw/zinc/21/23/64/216212364.db2.gz GTLNBITZTVPLCQ-GJZGRUSLSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000611826381 360835760 /nfs/dbraw/zinc/83/57/60/360835760.db2.gz HLKOQLWWOSHWHQ-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000619435625 364007769 /nfs/dbraw/zinc/00/77/69/364007769.db2.gz MCYGHVBJDRQVDH-GFCCVEGCSA-N 1 1 319.361 1.818 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000275353036 212285727 /nfs/dbraw/zinc/28/57/27/212285727.db2.gz KDNZTUBVVMWABI-UWVGGRQHSA-N 1 1 315.320 1.764 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000275353036 212285730 /nfs/dbraw/zinc/28/57/30/212285730.db2.gz KDNZTUBVVMWABI-UWVGGRQHSA-N 1 1 315.320 1.764 20 5 DDBDMO C[N@@H+](CCCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349917897 284105622 /nfs/dbraw/zinc/10/56/22/284105622.db2.gz BXCZAZSWPBNAOL-AWEZNQCLSA-N 1 1 307.350 1.404 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000349961142 284120298 /nfs/dbraw/zinc/12/02/98/284120298.db2.gz BEGWOPRPDXNZOC-LBPRGKRZSA-N 1 1 312.391 1.770 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000349961142 284120300 /nfs/dbraw/zinc/12/03/00/284120300.db2.gz BEGWOPRPDXNZOC-LBPRGKRZSA-N 1 1 312.391 1.770 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(CCO)CC1 ZINC000350016995 284133048 /nfs/dbraw/zinc/13/30/48/284133048.db2.gz SWFYXVNTHQZPBR-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](CCO)CC1 ZINC000350016995 284133050 /nfs/dbraw/zinc/13/30/50/284133050.db2.gz SWFYXVNTHQZPBR-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264707382 204092375 /nfs/dbraw/zinc/09/23/75/204092375.db2.gz YAQOMICMJMDOBW-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264707382 204092378 /nfs/dbraw/zinc/09/23/78/204092378.db2.gz YAQOMICMJMDOBW-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264707382 204092382 /nfs/dbraw/zinc/09/23/82/204092382.db2.gz YAQOMICMJMDOBW-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1C[C@H](C)O ZINC000266392095 205314338 /nfs/dbraw/zinc/31/43/38/205314338.db2.gz OEAXAAZFFRTDEK-STQMWFEESA-N 1 1 323.393 1.885 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566970900 304190724 /nfs/dbraw/zinc/19/07/24/304190724.db2.gz FTBPAXBKLFNIOO-HIFRSBDPSA-N 1 1 321.377 1.648 20 5 DDBDMO CNc1c(C(=O)N2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000336859297 249267356 /nfs/dbraw/zinc/26/73/56/249267356.db2.gz GNQSBJSTQBWLFV-UHFFFAOYSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000104389053 194004102 /nfs/dbraw/zinc/00/41/02/194004102.db2.gz SCFLAAQEPHPOSU-GFCCVEGCSA-N 1 1 308.382 1.853 20 5 DDBDMO Cc1c(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000284471383 218040113 /nfs/dbraw/zinc/04/01/13/218040113.db2.gz AGLHBCNXDNPPAF-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000352031911 284725935 /nfs/dbraw/zinc/72/59/35/284725935.db2.gz ICWRVNDSCOBYCM-LBPRGKRZSA-N 1 1 321.358 1.578 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000106393584 194206123 /nfs/dbraw/zinc/20/61/23/194206123.db2.gz QFSNFDDBEALDDJ-AWEZNQCLSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285393361 218412933 /nfs/dbraw/zinc/41/29/33/218412933.db2.gz XGDODKWQKXMXBR-ZIAGYGMSSA-N 1 1 319.361 1.448 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341009067 251334143 /nfs/dbraw/zinc/33/41/43/251334143.db2.gz AHJGRHFAVIKMMT-DGCLKSJQSA-N 1 1 306.366 1.877 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000341092530 251377306 /nfs/dbraw/zinc/37/73/06/251377306.db2.gz PTRXHEHILUJWQJ-UHFFFAOYSA-N 1 1 324.381 1.015 20 5 DDBDMO CC(C)[N@H+](CC(=O)N1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350583 184295122 /nfs/dbraw/zinc/29/51/22/184295122.db2.gz DUXQDDPQGAYOOD-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO CC(C)[N@@H+](CC(=O)N1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350583 184295123 /nfs/dbraw/zinc/29/51/23/184295123.db2.gz DUXQDDPQGAYOOD-UHFFFAOYSA-N 1 1 321.377 1.664 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000269159266 207283362 /nfs/dbraw/zinc/28/33/62/207283362.db2.gz APJHZENUJBSFQX-NXEZZACHSA-N 1 1 317.349 1.589 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330897542 532958792 /nfs/dbraw/zinc/95/87/92/532958792.db2.gz MDMUOFJSWFLSLP-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330897542 532958794 /nfs/dbraw/zinc/95/87/94/532958794.db2.gz MDMUOFJSWFLSLP-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000157671555 197206513 /nfs/dbraw/zinc/20/65/13/197206513.db2.gz HAGFAAGAXQUKDO-UHFFFAOYSA-N 1 1 309.366 1.678 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000296032885 285166534 /nfs/dbraw/zinc/16/65/34/285166534.db2.gz OHSYDVYVSNWBPT-CYBMUJFWSA-N 1 1 304.350 1.805 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000352772213 285290153 /nfs/dbraw/zinc/29/01/53/285290153.db2.gz QEVFHXTYHQHGJV-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000568646884 304303994 /nfs/dbraw/zinc/30/39/94/304303994.db2.gz KZWVLHYPJSESNW-GFCCVEGCSA-N 1 1 305.338 1.166 20 5 DDBDMO CC[N@@H+](CCc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266565693 407563486 /nfs/dbraw/zinc/56/34/86/407563486.db2.gz ZMTXVDMWURRXEI-ZDUSSCGKSA-N 1 1 324.406 1.778 20 5 DDBDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000073800328 406894995 /nfs/dbraw/zinc/89/49/95/406894995.db2.gz JKGWGUPBQATVPH-VIFPVBQESA-N 1 1 321.333 1.992 20 5 DDBDMO CC(C)NC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000028707073 406918208 /nfs/dbraw/zinc/91/82/08/406918208.db2.gz WZAFNTXDEUDYKY-UHFFFAOYSA-N 1 1 306.366 1.485 20 5 DDBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078681595 407041571 /nfs/dbraw/zinc/04/15/71/407041571.db2.gz JLKGDPUFPAVKKV-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055209808 407198374 /nfs/dbraw/zinc/19/83/74/407198374.db2.gz ATSBKNSUSSREGL-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000102480258 407323575 /nfs/dbraw/zinc/32/35/75/407323575.db2.gz LAXMNJCQVDLMEJ-UHFFFAOYSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[N@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000102480258 407323576 /nfs/dbraw/zinc/32/35/76/407323576.db2.gz LAXMNJCQVDLMEJ-UHFFFAOYSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000102480258 407323578 /nfs/dbraw/zinc/32/35/78/407323578.db2.gz LAXMNJCQVDLMEJ-UHFFFAOYSA-N 1 1 319.365 1.931 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000067706303 407280833 /nfs/dbraw/zinc/28/08/33/407280833.db2.gz RWKHBHNAMKGTMN-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000106882098 407365094 /nfs/dbraw/zinc/36/50/94/407365094.db2.gz IJFCKPXCOALEPL-GFCCVEGCSA-N 1 1 307.350 1.953 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000111282448 407406164 /nfs/dbraw/zinc/40/61/64/407406164.db2.gz QVFIXMKMROGWEP-UHFFFAOYSA-N 1 1 317.349 1.752 20 5 DDBDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000112600296 407433090 /nfs/dbraw/zinc/43/30/90/407433090.db2.gz ICASQUJWJYBPNP-UHFFFAOYSA-N 1 1 309.366 1.534 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112924239 407447413 /nfs/dbraw/zinc/44/74/13/407447413.db2.gz SJUBYGVDMPESJT-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000270999550 407461685 /nfs/dbraw/zinc/46/16/85/407461685.db2.gz VTQXHJLJXVVJBA-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000128942471 407584330 /nfs/dbraw/zinc/58/43/30/407584330.db2.gz CVXOKHYUZUHOFG-HNNXBMFYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000171261783 407641995 /nfs/dbraw/zinc/64/19/95/407641995.db2.gz HEPBRGGFCJMTPT-QWHCGFSZSA-N 1 1 320.393 1.408 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000267000403 407712261 /nfs/dbraw/zinc/71/22/61/407712261.db2.gz CTIGMPOTJVZJGK-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO COCC[N@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000267059756 407733281 /nfs/dbraw/zinc/73/32/81/407733281.db2.gz IGKUWFXALXYBCH-UHFFFAOYSA-N 1 1 318.377 1.982 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000153576206 407854122 /nfs/dbraw/zinc/85/41/22/407854122.db2.gz FVEIWOSAOFNYIL-UHFFFAOYSA-N 1 1 303.362 1.964 20 5 DDBDMO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473349 407882336 /nfs/dbraw/zinc/88/23/36/407882336.db2.gz BROSCZJIYGSURI-NEPJUHHUSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473349 407882340 /nfs/dbraw/zinc/88/23/40/407882340.db2.gz BROSCZJIYGSURI-NEPJUHHUSA-N 1 1 321.381 1.391 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000134097449 407885896 /nfs/dbraw/zinc/88/58/96/407885896.db2.gz JARBIUWBVWXROJ-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000174534919 407959845 /nfs/dbraw/zinc/95/98/45/407959845.db2.gz IEHDCIOWMCGJID-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000154472445 408042661 /nfs/dbraw/zinc/04/26/61/408042661.db2.gz NVVMKYAMGGBPLV-ZNMIVQPWSA-N 1 1 324.402 1.835 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272596231 408001853 /nfs/dbraw/zinc/00/18/53/408001853.db2.gz IMISXLNLOUTTKI-HZMBPMFUSA-N 1 1 304.350 1.343 20 5 DDBDMO Cc1nc(NC2CC[NH+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268487564 408067689 /nfs/dbraw/zinc/06/76/89/408067689.db2.gz MYGIKDJDTAUBMN-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492252 408177832 /nfs/dbraw/zinc/17/78/32/408177832.db2.gz LZPBWQMQNGGYDP-AVGNSLFASA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269323557 408268275 /nfs/dbraw/zinc/26/82/75/408268275.db2.gz CEZZPQZTVODQFM-UHFFFAOYSA-N 1 1 306.326 1.376 20 5 DDBDMO CS[C@@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246849147 408353369 /nfs/dbraw/zinc/35/33/69/408353369.db2.gz OZUOWPPISNWEDN-CHWSQXEVSA-N 1 1 314.411 1.370 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000183361200 408391507 /nfs/dbraw/zinc/39/15/07/408391507.db2.gz RKPFHHMQYKUIEB-INIZCTEOSA-N 1 1 323.393 1.028 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000177001288 408494899 /nfs/dbraw/zinc/49/48/99/408494899.db2.gz VOLLBBZBLOSHEZ-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000248450323 408569030 /nfs/dbraw/zinc/56/90/30/408569030.db2.gz IPDLHFBVUAHXBB-CHWSQXEVSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000248450323 408569035 /nfs/dbraw/zinc/56/90/35/408569035.db2.gz IPDLHFBVUAHXBB-CHWSQXEVSA-N 1 1 324.377 1.834 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000248466318 408574227 /nfs/dbraw/zinc/57/42/27/408574227.db2.gz SEJHFPFMMJRKGZ-XJKSGUPXSA-N 1 1 322.361 1.447 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000192613575 408620031 /nfs/dbraw/zinc/62/00/31/408620031.db2.gz YWULWQPDIBHADU-LLVKDONJSA-N 1 1 311.386 1.500 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000248858445 408648414 /nfs/dbraw/zinc/64/84/14/408648414.db2.gz ROBLWIBQQIZFCS-UHTWSYAYSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000248858445 408648416 /nfs/dbraw/zinc/64/84/16/408648416.db2.gz ROBLWIBQQIZFCS-UHTWSYAYSA-N 1 1 308.338 1.065 20 5 DDBDMO C[N@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193540405 408725307 /nfs/dbraw/zinc/72/53/07/408725307.db2.gz PQQULTCLBSJAPP-UHFFFAOYSA-N 1 1 304.350 1.621 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249512745 408735132 /nfs/dbraw/zinc/73/51/32/408735132.db2.gz OQOOYPUHRYIPNQ-KGLIPLIRSA-N 1 1 307.394 1.524 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C1 ZINC000194534627 408786392 /nfs/dbraw/zinc/78/63/92/408786392.db2.gz FDYSXRWTCDHZCD-TXEJJXNPSA-N 1 1 306.322 1.496 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000285872571 408881169 /nfs/dbraw/zinc/88/11/69/408881169.db2.gz RLCNJFFXPORUHD-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276191478 408824829 /nfs/dbraw/zinc/82/48/29/408824829.db2.gz IHQNGUUENJMOSD-LLVKDONJSA-N 1 1 306.366 1.780 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286380136 408973863 /nfs/dbraw/zinc/97/38/63/408973863.db2.gz GQCPNUWKIGOSSU-HIFRSBDPSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000286392612 408977041 /nfs/dbraw/zinc/97/70/41/408977041.db2.gz HAZWBTDMWYBFJD-LBPRGKRZSA-N 1 1 321.377 1.987 20 5 DDBDMO C[NH+]1CCN(C(=O)CCSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000286443194 408986821 /nfs/dbraw/zinc/98/68/21/408986821.db2.gz ICGUHKBZQNURLI-UHFFFAOYSA-N 1 1 323.418 1.992 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000293592319 409144660 /nfs/dbraw/zinc/14/46/60/409144660.db2.gz BETPJGDQDAICFN-MRXNPFEDSA-N 1 1 318.377 1.653 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000283464373 409160812 /nfs/dbraw/zinc/16/08/12/409160812.db2.gz LWOJRLCICIHLBX-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000293767552 409176231 /nfs/dbraw/zinc/17/62/31/409176231.db2.gz VMGBOLQZHBHJHR-IUODEOHRSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cnc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000295306663 409424673 /nfs/dbraw/zinc/42/46/73/409424673.db2.gz YDSZIYRQKUTAFV-TZMCWYRMSA-N 1 1 323.374 1.544 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000280742454 409434063 /nfs/dbraw/zinc/43/40/63/409434063.db2.gz MNIBEGQIPAMNMA-CQSZACIVSA-N 1 1 311.313 1.440 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295336943 409441029 /nfs/dbraw/zinc/44/10/29/409441029.db2.gz MJQDJEDTFBHFBF-SNVBAGLBSA-N 1 1 320.349 1.252 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768839 164029090 /nfs/dbraw/zinc/02/90/90/164029090.db2.gz QKAMYUGUZPNYOR-QWHCGFSZSA-N 1 1 307.350 1.879 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000407999002 164193693 /nfs/dbraw/zinc/19/36/93/164193693.db2.gz SORWLXFFJBWCFM-HUUCEWRRSA-N 1 1 307.350 1.205 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000407999002 164193696 /nfs/dbraw/zinc/19/36/96/164193696.db2.gz SORWLXFFJBWCFM-HUUCEWRRSA-N 1 1 307.350 1.205 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000407999000 164193778 /nfs/dbraw/zinc/19/37/78/164193778.db2.gz SORWLXFFJBWCFM-GJZGRUSLSA-N 1 1 307.350 1.205 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000407999000 164193782 /nfs/dbraw/zinc/19/37/82/164193782.db2.gz SORWLXFFJBWCFM-GJZGRUSLSA-N 1 1 307.350 1.205 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000408068538 164215568 /nfs/dbraw/zinc/21/55/68/164215568.db2.gz IONRIVIXBLOTBE-TUAOUCFPSA-N 1 1 321.381 1.795 20 5 DDBDMO C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342426599 409619629 /nfs/dbraw/zinc/61/96/29/409619629.db2.gz DTFOVKLGRMLNDB-UFBFGSQYSA-N 1 1 318.782 1.771 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000331560302 409637858 /nfs/dbraw/zinc/63/78/58/409637858.db2.gz SXGOMCPNRJYPJA-JTQLQIEISA-N 1 1 305.334 1.570 20 5 DDBDMO COCCOC[C@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296851643 409665412 /nfs/dbraw/zinc/66/54/12/409665412.db2.gz UJZQQMCCVXTDPZ-MRXNPFEDSA-N 1 1 324.377 1.583 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000354284112 409748387 /nfs/dbraw/zinc/74/83/87/409748387.db2.gz WANIICLWZLXUGV-JTQLQIEISA-N 1 1 311.363 1.110 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000354284112 409748393 /nfs/dbraw/zinc/74/83/93/409748393.db2.gz WANIICLWZLXUGV-JTQLQIEISA-N 1 1 311.363 1.110 20 5 DDBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349242780 409760461 /nfs/dbraw/zinc/76/04/61/409760461.db2.gz PBJQHWWUCIXUMH-QWRGUYRKSA-N 1 1 307.306 1.673 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052082 409820899 /nfs/dbraw/zinc/82/08/99/409820899.db2.gz QXMANWCXANSZMM-WDEREUQCSA-N 1 1 307.354 1.027 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC1CCC1 ZINC000338360627 409939843 /nfs/dbraw/zinc/93/98/43/409939843.db2.gz OPEFUTDWMAOZBS-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC1CCC1 ZINC000338360627 409939850 /nfs/dbraw/zinc/93/98/50/409939850.db2.gz OPEFUTDWMAOZBS-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000332309866 410056644 /nfs/dbraw/zinc/05/66/44/410056644.db2.gz XCILZTUMELFCTK-CHWSQXEVSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000357534206 410089133 /nfs/dbraw/zinc/08/91/33/410089133.db2.gz QSAFVXGTPYHUAP-UWVGGRQHSA-N 1 1 304.350 1.731 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000354894010 410157014 /nfs/dbraw/zinc/15/70/14/410157014.db2.gz ZFQNYZGQUPGNJT-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000351923239 410338147 /nfs/dbraw/zinc/33/81/47/410338147.db2.gz RQVACFLJPPAQGE-ZDUSSCGKSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000351923239 410338159 /nfs/dbraw/zinc/33/81/59/410338159.db2.gz RQVACFLJPPAQGE-ZDUSSCGKSA-N 1 1 310.350 1.577 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298688444 410349333 /nfs/dbraw/zinc/34/93/33/410349333.db2.gz AOOIBJJFZCCCIH-SNVBAGLBSA-N 1 1 324.333 1.702 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](C)CC1 ZINC000298945050 410461520 /nfs/dbraw/zinc/46/15/20/410461520.db2.gz RECCEJZQQQWLBO-UHFFFAOYSA-N 1 1 308.338 1.060 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343457049 410467962 /nfs/dbraw/zinc/46/79/62/410467962.db2.gz KOYBYCNWNJOCKQ-GWCFXTLKSA-N 1 1 306.366 1.849 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000299079986 410512777 /nfs/dbraw/zinc/51/27/77/410512777.db2.gz HAPSXFFRIPEXDP-WDEREUQCSA-N 1 1 321.381 1.621 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000347387461 410515960 /nfs/dbraw/zinc/51/59/60/410515960.db2.gz ZWBCDWJGGLZYMM-LTBFUDJGSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000347387461 410515972 /nfs/dbraw/zinc/51/59/72/410515972.db2.gz ZWBCDWJGGLZYMM-LTBFUDJGSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000347387461 410515980 /nfs/dbraw/zinc/51/59/80/410515980.db2.gz ZWBCDWJGGLZYMM-LTBFUDJGSA-N 1 1 319.405 1.997 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291220 410602161 /nfs/dbraw/zinc/60/21/61/410602161.db2.gz XIRJIPVROBSPNP-IUODEOHRSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291220 410602165 /nfs/dbraw/zinc/60/21/65/410602165.db2.gz XIRJIPVROBSPNP-IUODEOHRSA-N 1 1 321.377 1.881 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000352228519 410562547 /nfs/dbraw/zinc/56/25/47/410562547.db2.gz ZYXFCXVOVABRBI-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO Cc1nn(C)c(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301306380 410696437 /nfs/dbraw/zinc/69/64/37/410696437.db2.gz YLVZKVVEICRMFB-LLVKDONJSA-N 1 1 323.397 1.326 20 5 DDBDMO CS[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330460758 410710040 /nfs/dbraw/zinc/71/00/40/410710040.db2.gz VZQMDXVCVOLYNS-KGLIPLIRSA-N 1 1 311.407 1.778 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301498907 410731845 /nfs/dbraw/zinc/73/18/45/410731845.db2.gz CRKDTOULSPPEAT-UHFFFAOYSA-N 1 1 306.366 1.486 20 5 DDBDMO Cc1ccnc(NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000301269212 410686606 /nfs/dbraw/zinc/68/66/06/410686606.db2.gz HHDCBAOAADOXGQ-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330585672 410800323 /nfs/dbraw/zinc/80/03/23/410800323.db2.gz LMJAWGNPQMDSOE-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330585672 410800332 /nfs/dbraw/zinc/80/03/32/410800332.db2.gz LMJAWGNPQMDSOE-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330585672 410800341 /nfs/dbraw/zinc/80/03/41/410800341.db2.gz LMJAWGNPQMDSOE-UMVBOHGHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121280 410970781 /nfs/dbraw/zinc/97/07/81/410970781.db2.gz DWVZTYJUKVMUTE-WDEREUQCSA-N 1 1 307.350 1.287 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399672 411009477 /nfs/dbraw/zinc/00/94/77/411009477.db2.gz YMXCIWFECXCOBX-NEPJUHHUSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356399672 411009483 /nfs/dbraw/zinc/00/94/83/411009483.db2.gz YMXCIWFECXCOBX-NEPJUHHUSA-N 1 1 305.334 1.657 20 5 DDBDMO CC1CC[NH+](CC2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000360108660 411049765 /nfs/dbraw/zinc/04/97/65/411049765.db2.gz XYHZISKHQJGHOX-LSDHHAIUSA-N 1 1 309.410 1.622 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129540037 196056153 /nfs/dbraw/zinc/05/61/53/196056153.db2.gz WDNFHIONDOKXGO-MRXNPFEDSA-N 1 1 319.405 1.791 20 5 DDBDMO Cc1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000580251531 422907421 /nfs/dbraw/zinc/90/74/21/422907421.db2.gz JIMNEPNIYZGRLD-GFCCVEGCSA-N 1 1 307.306 1.421 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000580366537 422923611 /nfs/dbraw/zinc/92/36/11/422923611.db2.gz HCBOKUKCUWHJBL-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000580366537 422923613 /nfs/dbraw/zinc/92/36/13/422923613.db2.gz HCBOKUKCUWHJBL-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000516314130 416721170 /nfs/dbraw/zinc/72/11/70/416721170.db2.gz XHVVEDRPFPUWRR-UWVGGRQHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000516314130 416721173 /nfs/dbraw/zinc/72/11/73/416721173.db2.gz XHVVEDRPFPUWRR-UWVGGRQHSA-N 1 1 307.354 1.196 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000366333443 418459170 /nfs/dbraw/zinc/45/91/70/418459170.db2.gz QLABRMUEZBXUPI-ZJUUUORDSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000366333443 418459174 /nfs/dbraw/zinc/45/91/74/418459174.db2.gz QLABRMUEZBXUPI-ZJUUUORDSA-N 1 1 323.736 1.343 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360741656 418505025 /nfs/dbraw/zinc/50/50/25/418505025.db2.gz XTQYZHSRISIQJK-ZDUSSCGKSA-N 1 1 309.322 1.263 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360741656 418505028 /nfs/dbraw/zinc/50/50/28/418505028.db2.gz XTQYZHSRISIQJK-ZDUSSCGKSA-N 1 1 309.322 1.263 20 5 DDBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccncc1[N+](=O)[O-] ZINC000361042218 418572892 /nfs/dbraw/zinc/57/28/92/418572892.db2.gz JFJILBZJZGLHEN-UHFFFAOYSA-N 1 1 315.333 1.695 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000367286108 418578914 /nfs/dbraw/zinc/57/89/14/418578914.db2.gz IJFREWFZAJCPOX-SNVBAGLBSA-N 1 1 315.276 1.039 20 5 DDBDMO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000375250849 418621718 /nfs/dbraw/zinc/62/17/18/418621718.db2.gz PWBOEISNZFXOGI-ILWJIGKKSA-N 1 1 315.333 1.565 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@H+](CCN(C)C)CC1 ZINC000361831913 418715861 /nfs/dbraw/zinc/71/58/61/418715861.db2.gz XQNMYCRHOCVJFH-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000368305463 418717369 /nfs/dbraw/zinc/71/73/69/418717369.db2.gz VZCQDLSTRJNEEB-HNNXBMFYSA-N 1 1 320.349 1.308 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588128 418686926 /nfs/dbraw/zinc/68/69/26/418686926.db2.gz XQZHCFNGGAAHAH-CZUORRHYSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361592164 418689127 /nfs/dbraw/zinc/68/91/27/418689127.db2.gz AGJGJECJMZDLKJ-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361592164 418689130 /nfs/dbraw/zinc/68/91/30/418689130.db2.gz AGJGJECJMZDLKJ-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000390641835 418754783 /nfs/dbraw/zinc/75/47/83/418754783.db2.gz SMWIWRSGFXCWGI-CYBMUJFWSA-N 1 1 312.366 1.530 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621812 418794824 /nfs/dbraw/zinc/79/48/24/418794824.db2.gz FBMXTYVBVSNCEX-DCQANWLSSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621812 418794826 /nfs/dbraw/zinc/79/48/26/418794826.db2.gz FBMXTYVBVSNCEX-DCQANWLSSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000364621812 418794828 /nfs/dbraw/zinc/79/48/28/418794828.db2.gz FBMXTYVBVSNCEX-DCQANWLSSA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572348 418877894 /nfs/dbraw/zinc/87/78/94/418877894.db2.gz LEFMFKBVTJFPDQ-NMKXLXIOSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572348 418877895 /nfs/dbraw/zinc/87/78/95/418877895.db2.gz LEFMFKBVTJFPDQ-NMKXLXIOSA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000365572348 418877898 /nfs/dbraw/zinc/87/78/98/418877898.db2.gz LEFMFKBVTJFPDQ-NMKXLXIOSA-N 1 1 323.418 1.912 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974226 419375766 /nfs/dbraw/zinc/37/57/66/419375766.db2.gz LGIUCRBQQWZHIJ-MNOVXSKESA-N 1 1 310.350 1.815 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000420956240 419385221 /nfs/dbraw/zinc/38/52/21/419385221.db2.gz MVCCUFBUUAUBEJ-ZDUSSCGKSA-N 1 1 307.350 1.704 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000420956240 419385223 /nfs/dbraw/zinc/38/52/23/419385223.db2.gz MVCCUFBUUAUBEJ-ZDUSSCGKSA-N 1 1 307.350 1.704 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426884617 419563028 /nfs/dbraw/zinc/56/30/28/419563028.db2.gz YWVACVDUXKFUDI-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000427058708 419589944 /nfs/dbraw/zinc/58/99/44/419589944.db2.gz FIPLTUINBOLBGI-GWCFXTLKSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079260 419628089 /nfs/dbraw/zinc/62/80/89/419628089.db2.gz LCOYBTLIODQPGN-STQMWFEESA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079260 419628094 /nfs/dbraw/zinc/62/80/94/419628094.db2.gz LCOYBTLIODQPGN-STQMWFEESA-N 1 1 321.377 1.650 20 5 DDBDMO CC(C)([NH2+]CC(=O)Nc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000429246571 419992601 /nfs/dbraw/zinc/99/26/01/419992601.db2.gz OKKXCFBEAVHNFB-UHFFFAOYSA-N 1 1 314.345 1.875 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1C ZINC000430231957 420091868 /nfs/dbraw/zinc/09/18/68/420091868.db2.gz DNRHJSRXBUYVDY-MFKMUULPSA-N 1 1 308.334 1.987 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000420312957 420200644 /nfs/dbraw/zinc/20/06/44/420200644.db2.gz JHWRWCLHTCGQOY-AWEZNQCLSA-N 1 1 306.366 1.593 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000420312957 420200646 /nfs/dbraw/zinc/20/06/46/420200646.db2.gz JHWRWCLHTCGQOY-AWEZNQCLSA-N 1 1 306.366 1.593 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000420590590 420325459 /nfs/dbraw/zinc/32/54/59/420325459.db2.gz VUFNGXOBNLBSIO-WDEREUQCSA-N 1 1 304.350 1.732 20 5 DDBDMO CN1C(=O)NCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000425374472 420366989 /nfs/dbraw/zinc/36/69/89/420366989.db2.gz RVTWFTSHJWVJDA-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550237 420415967 /nfs/dbraw/zinc/41/59/67/420415967.db2.gz OTZBVBMXRYQWNI-JTQLQIEISA-N 1 1 303.322 1.711 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000446082135 230232132 /nfs/dbraw/zinc/23/21/32/230232132.db2.gz OPSKCYWUFPYRPF-OSFYFWSMSA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000446082135 230232138 /nfs/dbraw/zinc/23/21/38/230232138.db2.gz OPSKCYWUFPYRPF-OSFYFWSMSA-N 1 1 324.377 1.832 20 5 DDBDMO Cc1ccsc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438781968 420465410 /nfs/dbraw/zinc/46/54/10/420465410.db2.gz AAUIHMJDCILHFT-LBPRGKRZSA-N 1 1 310.379 1.654 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000457084526 420605724 /nfs/dbraw/zinc/60/57/24/420605724.db2.gz LOJAIMPTDCJHML-CQSZACIVSA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000450952766 420569228 /nfs/dbraw/zinc/56/92/28/420569228.db2.gz IZHGPEZCRNHPNK-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450958718 420571459 /nfs/dbraw/zinc/57/14/59/420571459.db2.gz WPLQARPVOZHQEF-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455879218 421072154 /nfs/dbraw/zinc/07/21/54/421072154.db2.gz CBBPRZDXJQOUEJ-UWVGGRQHSA-N 1 1 319.365 1.387 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)c1[N+](=O)[O-] ZINC000456335168 421144387 /nfs/dbraw/zinc/14/43/87/421144387.db2.gz AFXTYCWTOUAARU-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC)C[C@H]2CC)c1[N+](=O)[O-] ZINC000456335168 421144392 /nfs/dbraw/zinc/14/43/92/421144392.db2.gz AFXTYCWTOUAARU-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)c1[N+](=O)[O-] ZINC000456335168 421144393 /nfs/dbraw/zinc/14/43/93/421144393.db2.gz AFXTYCWTOUAARU-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)c1[N+](=O)[O-] ZINC000456335168 421144396 /nfs/dbraw/zinc/14/43/96/421144396.db2.gz AFXTYCWTOUAARU-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2NCCC[NH+]1CCOCC1 ZINC000450208522 421162617 /nfs/dbraw/zinc/16/26/17/421162617.db2.gz NQGMWAZHPJRMCY-UHFFFAOYSA-N 1 1 316.361 2.277 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525291757 421284852 /nfs/dbraw/zinc/28/48/52/421284852.db2.gz PWAZROBVYGLOJA-LBPRGKRZSA-N 1 1 321.377 1.604 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000516490536 421547770 /nfs/dbraw/zinc/54/77/70/421547770.db2.gz TYMIBVISCYULJZ-LLVKDONJSA-N 1 1 321.381 1.422 20 5 DDBDMO CC(C)Oc1nc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000566867377 421609198 /nfs/dbraw/zinc/60/91/98/421609198.db2.gz YTQLEYVDLVDROC-NSHDSACASA-N 1 1 317.349 2.400 20 5 DDBDMO Cc1c(CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000533497593 421675852 /nfs/dbraw/zinc/67/58/52/421675852.db2.gz ZJUCRESSNMQLHR-GFCCVEGCSA-N 1 1 305.378 1.904 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537814632 421736480 /nfs/dbraw/zinc/73/64/80/421736480.db2.gz FXYBWTMIMGMJGL-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537814632 421736486 /nfs/dbraw/zinc/73/64/86/421736486.db2.gz FXYBWTMIMGMJGL-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697417 422003441 /nfs/dbraw/zinc/00/34/41/422003441.db2.gz SWTQUTIBHGJOJS-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000574500041 422119839 /nfs/dbraw/zinc/11/98/39/422119839.db2.gz NYICHXTWTHTGKZ-UHFFFAOYSA-N 1 1 312.345 1.412 20 5 DDBDMO Nc1nccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418493 422347559 /nfs/dbraw/zinc/34/75/59/422347559.db2.gz JMOKFPHYETVWSR-RYUDHWBXSA-N 1 1 319.365 1.319 20 5 DDBDMO CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598038606 422393445 /nfs/dbraw/zinc/39/34/45/422393445.db2.gz FCMPLJQRGHXUOY-LLVKDONJSA-N 1 1 321.381 1.588 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)on1 ZINC000341609220 271138886 /nfs/dbraw/zinc/13/88/86/271138886.db2.gz SBVDFSCDBOMGRX-ZDUSSCGKSA-N 1 1 318.333 1.890 20 5 DDBDMO Cc1cc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)on1 ZINC000341609220 271138890 /nfs/dbraw/zinc/13/88/90/271138890.db2.gz SBVDFSCDBOMGRX-ZDUSSCGKSA-N 1 1 318.333 1.890 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000344621519 272072278 /nfs/dbraw/zinc/07/22/78/272072278.db2.gz SWJUAFZLFKQCJF-GFCCVEGCSA-N 1 1 321.381 1.422 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345282723 272208379 /nfs/dbraw/zinc/20/83/79/272208379.db2.gz GQZPHLHXPBGOES-ZJUUUORDSA-N 1 1 309.370 1.483 20 5 DDBDMO COC(=O)c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000278820225 274000556 /nfs/dbraw/zinc/00/05/56/274000556.db2.gz TWFHHXAKGHEMSW-TXEJJXNPSA-N 1 1 319.361 1.688 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000131934528 274034756 /nfs/dbraw/zinc/03/47/56/274034756.db2.gz YJLDOBKMMRLHAQ-TXEJJXNPSA-N 1 1 308.382 1.844 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000262955597 274391987 /nfs/dbraw/zinc/39/19/87/274391987.db2.gz VXTYATDEVFZRAL-BDAKNGLRSA-N 1 1 303.322 1.341 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000455035448 276011278 /nfs/dbraw/zinc/01/12/78/276011278.db2.gz HGCYSIHLMZFIRV-NSHDSACASA-N 1 1 307.354 1.408 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000175221364 276376600 /nfs/dbraw/zinc/37/66/00/276376600.db2.gz CZJCLYVWZDLIJD-GFCCVEGCSA-N 1 1 321.377 1.952 20 5 DDBDMO CN1CCNC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517860 277116189 /nfs/dbraw/zinc/11/61/89/277116189.db2.gz OJFZKFMBVPZIDI-ZBFHGGJFSA-N 1 1 304.394 1.465 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000171210517 277212256 /nfs/dbraw/zinc/21/22/56/277212256.db2.gz QDXNXHSOBUHOOO-UHFFFAOYSA-N 1 1 324.381 1.314 20 5 DDBDMO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247560919 289354058 /nfs/dbraw/zinc/35/40/58/289354058.db2.gz RUTCSOCQJFSGIP-GRYCIOLGSA-N 1 1 309.370 1.169 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000357911253 299018110 /nfs/dbraw/zinc/01/81/10/299018110.db2.gz ROWSDEGPZZIVCY-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368578521 301056645 /nfs/dbraw/zinc/05/66/45/301056645.db2.gz NXAYONWCSCISKM-JTQLQIEISA-N 1 1 321.333 1.159 20 5 DDBDMO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369349358 301169245 /nfs/dbraw/zinc/16/92/45/301169245.db2.gz YQKXCEHRKWQMKS-AWEZNQCLSA-N 1 1 320.393 1.413 20 5 DDBDMO COC(=O)CN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000363567865 307031642 /nfs/dbraw/zinc/03/16/42/307031642.db2.gz KQSPWDKHUILKOL-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO COC(=O)CN1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000363567865 307031643 /nfs/dbraw/zinc/03/16/43/307031643.db2.gz KQSPWDKHUILKOL-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017392 307114414 /nfs/dbraw/zinc/11/44/14/307114414.db2.gz OIDFLILIDQXYMR-KGLIPLIRSA-N 1 1 307.398 1.913 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373938681 307198160 /nfs/dbraw/zinc/19/81/60/307198160.db2.gz OGZYIQHHQBBERN-OLZOCXBDSA-N 1 1 319.361 1.717 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920465 307233078 /nfs/dbraw/zinc/23/30/78/307233078.db2.gz NRMMBEIURUTKPK-YRGRVCCFSA-N 1 1 310.354 1.060 20 5 DDBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920465 307233079 /nfs/dbraw/zinc/23/30/79/307233079.db2.gz NRMMBEIURUTKPK-YRGRVCCFSA-N 1 1 310.354 1.060 20 5 DDBDMO CC[NH2+]CCCN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000571991801 308207417 /nfs/dbraw/zinc/20/74/17/308207417.db2.gz WIUHMUMYSFGFCB-GFCCVEGCSA-N 1 1 308.382 1.901 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000577101047 308362928 /nfs/dbraw/zinc/36/29/28/308362928.db2.gz UVGUXUJVGCOSMU-GFCCVEGCSA-N 1 1 316.361 1.687 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000582736759 337128015 /nfs/dbraw/zinc/12/80/15/337128015.db2.gz HSMXCNYHNBIMEF-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582961068 337218955 /nfs/dbraw/zinc/21/89/55/337218955.db2.gz NAGWPXJPPUBOJV-NSHDSACASA-N 1 1 303.366 1.997 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590767508 483927350 /nfs/dbraw/zinc/92/73/50/483927350.db2.gz ILGYEBQLIKQDOU-NOZJJQNGSA-N 1 1 323.324 1.519 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338432 534446674 /nfs/dbraw/zinc/44/66/74/534446674.db2.gz JMEIXTJWSHQKBG-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338432 534446684 /nfs/dbraw/zinc/44/66/84/534446684.db2.gz JMEIXTJWSHQKBG-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331338432 534446687 /nfs/dbraw/zinc/44/66/87/534446687.db2.gz JMEIXTJWSHQKBG-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(CO)CO ZINC000182247049 523274238 /nfs/dbraw/zinc/27/42/38/523274238.db2.gz ADQJHGDDHOEHLB-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(CO)CO ZINC000182247049 523274246 /nfs/dbraw/zinc/27/42/46/523274246.db2.gz ADQJHGDDHOEHLB-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491423261 534772879 /nfs/dbraw/zinc/77/28/79/534772879.db2.gz YZIBXOKVDJNITI-SREVYHEPSA-N 1 1 300.318 1.929 20 5 DDBDMO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000158397044 527232210 /nfs/dbraw/zinc/23/22/10/527232210.db2.gz AHWGPOIKBLMUSP-SKDRFNHKSA-N 1 1 317.349 1.718 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000020479220 696070940 /nfs/dbraw/zinc/07/09/40/696070940.db2.gz JRHCGTRGJFSPAN-UHFFFAOYSA-N 1 1 322.321 1.589 20 5 DDBDMO Cc1ccncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983650498 697286458 /nfs/dbraw/zinc/28/64/58/697286458.db2.gz UZGLPFNSLALPAY-NMFUWQPSSA-N 1 1 318.377 1.040 20 5 DDBDMO Cc1c[nH+]ccc1OC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000773336973 697747052 /nfs/dbraw/zinc/74/70/52/697747052.db2.gz CPMCEDLBIZLQMD-UHFFFAOYSA-N 1 1 317.349 1.996 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000787247957 699199907 /nfs/dbraw/zinc/19/99/07/699199907.db2.gz VTIRFWYJRVRZCZ-MFKMUULPSA-N 1 1 318.333 1.785 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000787247957 699199910 /nfs/dbraw/zinc/19/99/10/699199910.db2.gz VTIRFWYJRVRZCZ-MFKMUULPSA-N 1 1 318.333 1.785 20 5 DDBDMO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726584971 699369238 /nfs/dbraw/zinc/36/92/38/699369238.db2.gz NKDRNWLBKWJLAE-UHFFFAOYSA-N 1 1 304.306 1.415 20 5 DDBDMO C[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000726584971 699369241 /nfs/dbraw/zinc/36/92/41/699369241.db2.gz NKDRNWLBKWJLAE-UHFFFAOYSA-N 1 1 304.306 1.415 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334033 699378217 /nfs/dbraw/zinc/37/82/17/699378217.db2.gz FUTRFFVAIWCMTP-CZUORRHYSA-N 1 1 323.393 1.281 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000744800166 699961313 /nfs/dbraw/zinc/96/13/13/699961313.db2.gz UIPAULPENBVXKW-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000801886564 700350737 /nfs/dbraw/zinc/35/07/37/700350737.db2.gz CGFKTDKECKPRNX-SNVBAGLBSA-N 1 1 322.340 1.530 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000801899176 700351541 /nfs/dbraw/zinc/35/15/41/700351541.db2.gz MEJVHKMGDNUOHB-UHFFFAOYSA-N 1 1 322.340 1.626 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762720667 700904660 /nfs/dbraw/zinc/90/46/60/700904660.db2.gz YPCWMVQWVDHTRT-YHVDPYDOSA-N 1 1 319.361 1.181 20 5 DDBDMO COc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000762817209 700908454 /nfs/dbraw/zinc/90/84/54/700908454.db2.gz ZACHRROYHAFNEF-AWEZNQCLSA-N 1 1 311.338 1.091 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2occc2Br)c1 ZINC000769423518 701244389 /nfs/dbraw/zinc/24/43/89/701244389.db2.gz LUQJHDPZYZWIMZ-UHFFFAOYSA-N 1 1 315.127 1.937 20 5 DDBDMO C[C@H](CO)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839596234 701749157 /nfs/dbraw/zinc/74/91/57/701749157.db2.gz TZLZOHLIRKHOCH-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](CO)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839596234 701749163 /nfs/dbraw/zinc/74/91/63/701749163.db2.gz TZLZOHLIRKHOCH-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839718436 701796136 /nfs/dbraw/zinc/79/61/36/701796136.db2.gz POWFVVJUBHXFIP-WMHQRMGPSA-N 1 1 317.389 1.773 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879214394 706616622 /nfs/dbraw/zinc/61/66/22/706616622.db2.gz QSVROAPUFFUICX-RYUDHWBXSA-N 1 1 319.365 1.278 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000867949631 701848553 /nfs/dbraw/zinc/84/85/53/701848553.db2.gz FGTPOUYGZBHEJE-ABAIWWIYSA-N 1 1 307.350 1.406 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CC[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867956013 701852493 /nfs/dbraw/zinc/85/24/93/701852493.db2.gz JRGPGFAYQNYDMO-HOTGVXAUSA-N 1 1 319.361 1.408 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867960559 701855649 /nfs/dbraw/zinc/85/56/49/701855649.db2.gz MUJYPLABZPQWTE-HNNXBMFYSA-N 1 1 307.350 1.406 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831175545 706650463 /nfs/dbraw/zinc/65/04/63/706650463.db2.gz LMYQXBGVAGAOLT-YPMHNXCESA-N 1 1 302.277 1.330 20 5 DDBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000879333678 706652853 /nfs/dbraw/zinc/65/28/53/706652853.db2.gz CMRHQRZYCXRUOO-HNNXBMFYSA-N 1 1 320.393 1.921 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041628 702320221 /nfs/dbraw/zinc/32/02/21/702320221.db2.gz BRYSXVCUNJOPQD-CQSZACIVSA-N 1 1 304.394 1.905 20 5 DDBDMO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000842047197 702663325 /nfs/dbraw/zinc/66/33/25/702663325.db2.gz MISZGXMZKAQFID-NEPJUHHUSA-N 1 1 319.365 1.134 20 5 DDBDMO CCN(OC)C(=O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842769891 702771025 /nfs/dbraw/zinc/77/10/25/702771025.db2.gz YHBJRROJPXCREX-UHFFFAOYSA-N 1 1 301.730 1.748 20 5 DDBDMO C[NH2+]C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843349230 702864064 /nfs/dbraw/zinc/86/40/64/702864064.db2.gz NLQKJMDMLCBADG-LLVKDONJSA-N 1 1 324.356 1.604 20 5 DDBDMO CCCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@@H+](C)C1 ZINC000843990264 702950014 /nfs/dbraw/zinc/95/00/14/702950014.db2.gz SSRVTIFMSFBWKJ-JTQLQIEISA-N 1 1 307.354 1.128 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000845514096 703166521 /nfs/dbraw/zinc/16/65/21/703166521.db2.gz DMSFRLPRSOQXKJ-SECBINFHSA-N 1 1 315.732 1.908 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000845514096 703166523 /nfs/dbraw/zinc/16/65/23/703166523.db2.gz DMSFRLPRSOQXKJ-SECBINFHSA-N 1 1 315.732 1.908 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000846067751 703233529 /nfs/dbraw/zinc/23/35/29/703233529.db2.gz KGRSJEQVBVCPLK-GFCCVEGCSA-N 1 1 311.769 1.499 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848790412 703589690 /nfs/dbraw/zinc/58/96/90/703589690.db2.gz MOKNJOJQUUNCBP-LLVKDONJSA-N 1 1 322.365 1.992 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000869786222 703853503 /nfs/dbraw/zinc/85/35/03/703853503.db2.gz XIRMCQQNKNHSRH-VIFPVBQESA-N 1 1 313.379 1.231 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000852498156 704063468 /nfs/dbraw/zinc/06/34/68/704063468.db2.gz ZSNVSCGAGKAOQS-GXFFZTMASA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000852498156 704063470 /nfs/dbraw/zinc/06/34/70/704063470.db2.gz ZSNVSCGAGKAOQS-GXFFZTMASA-N 1 1 307.325 1.834 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@@H+](CC)C1 ZINC000855491167 704487506 /nfs/dbraw/zinc/48/75/06/704487506.db2.gz PFVCDGSTDZZMED-SNVBAGLBSA-N 1 1 307.354 1.128 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880424638 706970013 /nfs/dbraw/zinc/97/00/13/706970013.db2.gz JQTHRXHCUKVXBF-LSDHHAIUSA-N 1 1 310.350 1.709 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345107 705436690 /nfs/dbraw/zinc/43/66/90/705436690.db2.gz YWBYYBNHHFWONT-HZMBPMFUSA-N 1 1 311.338 1.199 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825118402 705603890 /nfs/dbraw/zinc/60/38/90/705603890.db2.gz SMTZNJCTSZGBEJ-QLFBSQMISA-N 1 1 319.361 1.371 20 5 DDBDMO Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000825648659 705709092 /nfs/dbraw/zinc/70/90/92/705709092.db2.gz WZRFESVFCFFVAD-CYBMUJFWSA-N 1 1 323.418 1.957 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776606 705729897 /nfs/dbraw/zinc/72/98/97/705729897.db2.gz JUIRMXGUFHTWHE-ZFWWWQNUSA-N 1 1 319.361 1.229 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264775 705963314 /nfs/dbraw/zinc/96/33/14/705963314.db2.gz DOTUQMFNNVMITF-AAEUAGOBSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827328216 705976126 /nfs/dbraw/zinc/97/61/26/705976126.db2.gz DFQWIIHZFAYDNH-AAEUAGOBSA-N 1 1 321.381 1.079 20 5 DDBDMO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000878317611 706356827 /nfs/dbraw/zinc/35/68/27/706356827.db2.gz RXYOXFPOZPTTOU-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000878317611 706356829 /nfs/dbraw/zinc/35/68/29/706356829.db2.gz RXYOXFPOZPTTOU-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000878406888 706379697 /nfs/dbraw/zinc/37/96/97/706379697.db2.gz FWJCGXXYZJUEEL-ZDUSSCGKSA-N 1 1 324.381 1.575 20 5 DDBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428826 706972634 /nfs/dbraw/zinc/97/26/34/706972634.db2.gz SLXGGNNUNXYSAF-CABCVRRESA-N 1 1 310.350 1.709 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187655 707593510 /nfs/dbraw/zinc/59/35/10/707593510.db2.gz AWXNEKKIGZBJAS-HUUCEWRRSA-N 1 1 321.377 1.569 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872772271 707593566 /nfs/dbraw/zinc/59/35/66/707593566.db2.gz SABRUXSAYONFRD-NSHDSACASA-N 1 1 320.353 1.160 20 5 DDBDMO CC[C@H]1COCC[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872772271 707593569 /nfs/dbraw/zinc/59/35/69/707593569.db2.gz SABRUXSAYONFRD-NSHDSACASA-N 1 1 320.353 1.160 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000882481048 707651475 /nfs/dbraw/zinc/65/14/75/707651475.db2.gz DGMKUKZYXRHYAG-LBPRGKRZSA-N 1 1 309.391 1.897 20 5 DDBDMO Cc1ccc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000873251847 707786167 /nfs/dbraw/zinc/78/61/67/707786167.db2.gz LVJODEQCTFBPRN-HOTGVXAUSA-N 1 1 305.378 1.760 20 5 DDBDMO Cc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000838145138 707854395 /nfs/dbraw/zinc/85/43/95/707854395.db2.gz VHZMXFXUDSXNGC-LBPRGKRZSA-N 1 1 320.393 1.947 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000883182711 707949907 /nfs/dbraw/zinc/94/99/07/707949907.db2.gz JEFHYEAXZUUXRY-AWEZNQCLSA-N 1 1 306.366 1.531 20 5 DDBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897222102 708259559 /nfs/dbraw/zinc/25/95/59/708259559.db2.gz RPKBHMHOVNLVHC-CVEARBPZSA-N 1 1 305.378 1.939 20 5 DDBDMO C[C@@](O)(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC000885949104 708669191 /nfs/dbraw/zinc/66/91/91/708669191.db2.gz OIIMENURJOJQNY-CQSZACIVSA-N 1 1 315.320 1.733 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000886591279 708784135 /nfs/dbraw/zinc/78/41/35/708784135.db2.gz QCBPNDGFODZLEX-LBPRGKRZSA-N 1 1 308.382 1.736 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000886591279 708784137 /nfs/dbraw/zinc/78/41/37/708784137.db2.gz QCBPNDGFODZLEX-LBPRGKRZSA-N 1 1 308.382 1.736 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812300 709773559 /nfs/dbraw/zinc/77/35/59/709773559.db2.gz UVXVWWDWHOUBEI-OCCSQVGLSA-N 1 1 320.393 1.267 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891674213 710263215 /nfs/dbraw/zinc/26/32/15/710263215.db2.gz FYWWGKNWMNLPQK-TXEJJXNPSA-N 1 1 324.381 1.910 20 5 DDBDMO CC(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)N1CC[NH+](C)CC1 ZINC000891681526 710265268 /nfs/dbraw/zinc/26/52/68/710265268.db2.gz VYXNXLMCRPVRRD-LBPRGKRZSA-N 1 1 310.402 1.012 20 5 DDBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000892419060 710434339 /nfs/dbraw/zinc/43/43/39/710434339.db2.gz YNBSXOWWPRHVPY-AWEZNQCLSA-N 1 1 306.366 1.830 20 5 DDBDMO Cc1nn(C)c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913288606 713192164 /nfs/dbraw/zinc/19/21/64/713192164.db2.gz FLADYISAEAXMBG-GASCZTMLSA-N 1 1 321.381 1.051 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC[N@H+]1C ZINC000928439692 713196534 /nfs/dbraw/zinc/19/65/34/713196534.db2.gz JVQKRKDKVNHQOG-MWLCHTKSSA-N 1 1 302.334 1.899 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451248 713202431 /nfs/dbraw/zinc/20/24/31/713202431.db2.gz VIRSIIPMANSJNQ-ZYHUDNBSSA-N 1 1 307.350 1.355 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317498 711095981 /nfs/dbraw/zinc/09/59/81/711095981.db2.gz LRRAXEWTSGNXDW-CABCVRRESA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317498 711095984 /nfs/dbraw/zinc/09/59/84/711095984.db2.gz LRRAXEWTSGNXDW-CABCVRRESA-N 1 1 315.377 1.711 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000894590541 711198376 /nfs/dbraw/zinc/19/83/76/711198376.db2.gz HLBFGQXRRBVJEW-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895438342 711512410 /nfs/dbraw/zinc/51/24/10/711512410.db2.gz PFGYUVDKWMOPPQ-GFCCVEGCSA-N 1 1 309.366 1.883 20 5 DDBDMO CCCN1CC[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895438342 711512412 /nfs/dbraw/zinc/51/24/12/711512412.db2.gz PFGYUVDKWMOPPQ-GFCCVEGCSA-N 1 1 309.366 1.883 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895709029 711584961 /nfs/dbraw/zinc/58/49/61/711584961.db2.gz XWXIMQXMKJXXKP-CSPWOOARSA-N 1 1 306.318 1.218 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895709029 711584962 /nfs/dbraw/zinc/58/49/62/711584962.db2.gz XWXIMQXMKJXXKP-CSPWOOARSA-N 1 1 306.318 1.218 20 5 DDBDMO C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000907220867 712515711 /nfs/dbraw/zinc/51/57/11/712515711.db2.gz LOQINPUUOFGZEF-LBPRGKRZSA-N 1 1 320.393 1.265 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908268226 712724928 /nfs/dbraw/zinc/72/49/28/712724928.db2.gz MKSRLDMSBHRVMF-CYBMUJFWSA-N 1 1 319.361 1.871 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000929399844 713604023 /nfs/dbraw/zinc/60/40/23/713604023.db2.gz VVSCVUFZJXBRLW-LBPRGKRZSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000922167842 713980983 /nfs/dbraw/zinc/98/09/83/713980983.db2.gz GYRKRBHXFFHQOL-YPMHNXCESA-N 1 1 306.366 1.795 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2CC[N+](=O)[O-])C1 ZINC000931564209 714129062 /nfs/dbraw/zinc/12/90/62/714129062.db2.gz VINJQZMPGZQNOI-OLZOCXBDSA-N 1 1 313.398 1.985 20 5 DDBDMO O=C1N[C@H](C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CO1 ZINC000932779713 714412230 /nfs/dbraw/zinc/41/22/30/714412230.db2.gz BKRFMGDTFBCPJF-NSHDSACASA-N 1 1 311.363 1.977 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934252390 714774628 /nfs/dbraw/zinc/77/46/28/714774628.db2.gz MOODQSACGBAKRJ-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934252390 714774631 /nfs/dbraw/zinc/77/46/31/714774631.db2.gz MOODQSACGBAKRJ-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934252390 714774633 /nfs/dbraw/zinc/77/46/33/714774633.db2.gz MOODQSACGBAKRJ-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000925309430 714803374 /nfs/dbraw/zinc/80/33/74/714803374.db2.gz ZYLBKTMLDMCLLC-GXSJLCMTSA-N 1 1 308.338 1.818 20 5 DDBDMO C[C@H]1[C@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000925345679 714822615 /nfs/dbraw/zinc/82/26/15/714822615.db2.gz XRTKDYAZUDWVDN-SWLSCSKDSA-N 1 1 320.393 1.871 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000935431358 715053497 /nfs/dbraw/zinc/05/34/97/715053497.db2.gz ZTUHQBPIXHXYKB-GFCCVEGCSA-N 1 1 309.370 1.089 20 5 DDBDMO Cc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922022 721849592 /nfs/dbraw/zinc/84/95/92/721849592.db2.gz PQLPXMCEHCNYNH-ZIAGYGMSSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922022 721849594 /nfs/dbraw/zinc/84/95/94/721849594.db2.gz PQLPXMCEHCNYNH-ZIAGYGMSSA-N 1 1 319.409 1.513 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777631 736849704 /nfs/dbraw/zinc/84/97/04/736849704.db2.gz NVXQSIIFAQSUGX-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777631 736849706 /nfs/dbraw/zinc/84/97/06/736849706.db2.gz NVXQSIIFAQSUGX-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777631 736849712 /nfs/dbraw/zinc/84/97/12/736849712.db2.gz NVXQSIIFAQSUGX-QMIVOQANSA-N 1 1 307.394 1.278 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101757120 741928295 /nfs/dbraw/zinc/92/82/95/741928295.db2.gz ZZCDQDZXYQJLHR-UHFFFAOYSA-N 1 1 308.382 1.807 20 5 DDBDMO O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034816314 750916652 /nfs/dbraw/zinc/91/66/52/750916652.db2.gz MMDMRVPIGVKTQY-HUUCEWRRSA-N 1 1 303.362 1.468 20 5 DDBDMO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035187210 751287509 /nfs/dbraw/zinc/28/75/09/751287509.db2.gz QHRCXCLAWWSQCO-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187210 751287512 /nfs/dbraw/zinc/28/75/12/751287512.db2.gz QHRCXCLAWWSQCO-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035187210 751287513 /nfs/dbraw/zinc/28/75/13/751287513.db2.gz QHRCXCLAWWSQCO-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035719 762191701 /nfs/dbraw/zinc/19/17/01/762191701.db2.gz LGZDZDYTFSIANP-YHQUGGNUSA-N 1 1 312.366 1.084 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035719 762191703 /nfs/dbraw/zinc/19/17/03/762191703.db2.gz LGZDZDYTFSIANP-YHQUGGNUSA-N 1 1 312.366 1.084 20 5 DDBDMO O=C(c1cccs1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039586 762193401 /nfs/dbraw/zinc/19/34/01/762193401.db2.gz RCRAUJOLVYRIKH-STQMWFEESA-N 1 1 323.418 1.951 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169057456 762211356 /nfs/dbraw/zinc/21/13/56/762211356.db2.gz VKUNMPJXBZNVAU-RWMBFGLXSA-N 1 1 322.365 1.384 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)C2CC2)CC1 ZINC001001102959 762552194 /nfs/dbraw/zinc/55/21/94/762552194.db2.gz QZGQGMNDMJRRCZ-UHFFFAOYSA-N 1 1 321.381 1.067 20 5 DDBDMO O=C(NC1(C2CC[NH+](CC3CCC3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000149395 761542655 /nfs/dbraw/zinc/54/26/55/761542655.db2.gz LJBFFJOIAIYDET-HUUCEWRRSA-N 1 1 321.421 1.813 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525211 769493056 /nfs/dbraw/zinc/49/30/56/769493056.db2.gz OZAXQKPFVKMCJZ-XLWJZTARSA-N 1 1 307.394 1.421 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525211 769493064 /nfs/dbraw/zinc/49/30/64/769493064.db2.gz OZAXQKPFVKMCJZ-XLWJZTARSA-N 1 1 307.394 1.421 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525211 769493067 /nfs/dbraw/zinc/49/30/67/769493067.db2.gz OZAXQKPFVKMCJZ-XLWJZTARSA-N 1 1 307.394 1.421 20 5 DDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC3(C2)C[NH+](C)C3)n1 ZINC001158863545 769843169 /nfs/dbraw/zinc/84/31/69/769843169.db2.gz DDXMBOAATCAUCY-UHFFFAOYSA-N 1 1 315.786 1.512 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093787365 775078469 /nfs/dbraw/zinc/07/84/69/775078469.db2.gz AUGKUPLRRQKSIW-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO Cc1ccc(NCCNC(=O)C[N@H+](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001094221570 775544131 /nfs/dbraw/zinc/54/41/31/775544131.db2.gz HBUPGRSDDUECDG-UHFFFAOYSA-N 1 1 320.393 1.916 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100240904 775878719 /nfs/dbraw/zinc/87/87/19/775878719.db2.gz VCYPDHGUINQXJV-UHFFFAOYSA-N 1 1 317.349 1.352 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101634621 777331311 /nfs/dbraw/zinc/33/13/11/777331311.db2.gz FXPANQZSIYGNDI-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO CN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371780 837934277 /nfs/dbraw/zinc/93/42/77/837934277.db2.gz UQXQOYKZUXXGDL-CHWSQXEVSA-N 1 1 313.304 1.178 20 5 DDBDMO Cc1noc([C@]23COC[C@H]2C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169019995 850518215 /nfs/dbraw/zinc/51/82/15/850518215.db2.gz HMMQDZCPHPEFHA-KYEXWDHISA-N 1 1 322.365 1.023 20 5 DDBDMO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001155892646 862535943 /nfs/dbraw/zinc/53/59/43/862535943.db2.gz KSKAISRNXXEDDA-NOZJJQNGSA-N 1 1 321.333 1.204 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156624111 863202327 /nfs/dbraw/zinc/20/23/27/863202327.db2.gz RKUCSKNEXFJTPZ-UHFFFAOYSA-N 1 1 323.316 1.176 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001157271048 863700682 /nfs/dbraw/zinc/70/06/82/863700682.db2.gz HGXSPGPUIWXBTK-ONGXEEELSA-N 1 1 312.757 1.412 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC001329584583 863738851 /nfs/dbraw/zinc/73/88/51/863738851.db2.gz VKKATKDRCDDAAW-MRXNPFEDSA-N 1 1 320.345 1.728 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@H]2COCCO2)ncc1[N+](=O)[O-] ZINC001157483662 863860102 /nfs/dbraw/zinc/86/01/02/863860102.db2.gz SNCXYKPNWVVWGZ-PCAWENJQSA-N 1 1 308.338 1.349 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157766939 864115149 /nfs/dbraw/zinc/11/51/49/864115149.db2.gz CEWARSZLYHEFBX-CHWSQXEVSA-N 1 1 311.769 1.601 20 5 DDBDMO COc1ccc(C)cc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775571 864131141 /nfs/dbraw/zinc/13/11/41/864131141.db2.gz QXRXFQQDZRJMRT-ZIAGYGMSSA-N 1 1 321.377 1.265 20 5 DDBDMO C[NH+]1CCC(CN2CCN(c3cc([N+](=O)[O-])ccn3)CC2)CC1 ZINC001157836654 864183289 /nfs/dbraw/zinc/18/32/89/864183289.db2.gz MOSZWTVNHGEHNF-UHFFFAOYSA-N 1 1 319.409 1.454 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C2 ZINC001332152407 865615411 /nfs/dbraw/zinc/61/54/11/865615411.db2.gz UBLNXALAAGPCPR-FZMZJTMJSA-N 1 1 308.338 1.332 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cn1cc([N+](=O)[O-])c(C)n1)C2 ZINC001332152407 865615415 /nfs/dbraw/zinc/61/54/15/865615415.db2.gz UBLNXALAAGPCPR-FZMZJTMJSA-N 1 1 308.338 1.332 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](C/C=C\Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160090789 865675763 /nfs/dbraw/zinc/67/57/63/865675763.db2.gz PMWAANBWUGSHNT-KXPPAHKPSA-N 1 1 313.785 1.543 20 5 DDBDMO O=C(CCCC[NH+]1CCOCC1)OCc1cccnc1[N+](=O)[O-] ZINC001333405065 866715318 /nfs/dbraw/zinc/71/53/18/866715318.db2.gz QEBMUUHXOFCTFS-UHFFFAOYSA-N 1 1 323.349 1.536 20 5 DDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001333845241 867071783 /nfs/dbraw/zinc/07/17/83/867071783.db2.gz SHNRZZSJMPYELZ-AOOOYVTPSA-N 1 1 321.358 1.755 20 5 DDBDMO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC001333845241 867071802 /nfs/dbraw/zinc/07/18/02/867071802.db2.gz SHNRZZSJMPYELZ-AOOOYVTPSA-N 1 1 321.358 1.755 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001321169934 867372162 /nfs/dbraw/zinc/37/21/62/867372162.db2.gz LRWNAVKLDVUEPG-CYBMUJFWSA-N 1 1 308.382 1.489 20 5 DDBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnco1 ZINC001321177422 867377861 /nfs/dbraw/zinc/37/78/61/867377861.db2.gz CUOPRXVIRLKSSR-OWOJBTEDSA-N 1 1 322.346 1.720 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C4CCC3(CO)CC4)nc2c1 ZINC001335128630 868083751 /nfs/dbraw/zinc/08/37/51/868083751.db2.gz AXYYJYZCRXZYDY-UHFFFAOYSA-N 1 1 302.334 1.960 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C4CCC3(CO)CC4)nc2c1 ZINC001335128630 868083764 /nfs/dbraw/zinc/08/37/64/868083764.db2.gz AXYYJYZCRXZYDY-UHFFFAOYSA-N 1 1 302.334 1.960 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCn2c(C)[nH+]cc2C1 ZINC001165384096 869557440 /nfs/dbraw/zinc/55/74/40/869557440.db2.gz DEKOGUPZLCDMOB-UHFFFAOYSA-N 1 1 317.305 1.302 20 5 DDBDMO C[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226340561 882367475 /nfs/dbraw/zinc/36/74/75/882367475.db2.gz ZSZJKPZHMQHVCL-QMMMGPOBSA-N 1 1 302.128 1.835 20 5 DDBDMO C[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226340561 882367491 /nfs/dbraw/zinc/36/74/91/882367491.db2.gz ZSZJKPZHMQHVCL-QMMMGPOBSA-N 1 1 302.128 1.835 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCC[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC001166934595 870396306 /nfs/dbraw/zinc/39/63/06/870396306.db2.gz VIELCAQKPSGVSV-HOSRBBHYSA-N 1 1 319.365 1.224 20 5 DDBDMO Cc1ccc(NCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)[nH+]c1 ZINC001303956165 871170436 /nfs/dbraw/zinc/17/04/36/871170436.db2.gz FQPINMMASDGJIK-UHFFFAOYSA-N 1 1 316.321 1.117 20 5 DDBDMO O=C(NCC[NH+]1CC=CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001318897506 872335097 /nfs/dbraw/zinc/33/50/97/872335097.db2.gz PFRUSADHOPSAMR-UHFFFAOYSA-N 1 1 306.278 1.105 20 5 DDBDMO CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])nc1 ZINC001342965964 872454397 /nfs/dbraw/zinc/45/43/97/872454397.db2.gz RIYWFWSAXOCDTA-UHFFFAOYSA-N 1 1 324.300 1.847 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001349696121 875310559 /nfs/dbraw/zinc/31/05/59/875310559.db2.gz ZFCMKJFTIVKZTG-ZLKJLUDKSA-N 1 1 319.361 1.673 20 5 DDBDMO C[N@@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227498052 883044389 /nfs/dbraw/zinc/04/43/89/883044389.db2.gz KPKOBEHVNDUHIT-QMMMGPOBSA-N 1 1 312.238 1.494 20 5 DDBDMO C[N@H+]1CC[C@H](Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227498052 883044408 /nfs/dbraw/zinc/04/44/08/883044408.db2.gz KPKOBEHVNDUHIT-QMMMGPOBSA-N 1 1 312.238 1.494 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001358057077 880309985 /nfs/dbraw/zinc/30/99/85/880309985.db2.gz HAQALPNFXSKUHY-CHWSQXEVSA-N 1 1 324.429 1.630 20 5 DDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227694216 883135911 /nfs/dbraw/zinc/13/59/11/883135911.db2.gz FGJIUFWFUTYLPH-MSRIBSCDSA-N 1 1 317.349 1.975 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365921 883947531 /nfs/dbraw/zinc/94/75/31/883947531.db2.gz YMVNPXQZWFWCEK-JTQLQIEISA-N 1 1 304.306 1.717 20 5 DDBDMO CSCC(=O)NCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001233656653 887195638 /nfs/dbraw/zinc/19/56/38/887195638.db2.gz ZHBJFDMSSHOELC-UHFFFAOYSA-N 1 1 317.436 1.957 20 5 DDBDMO CSCC(=O)NCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001233656653 887195646 /nfs/dbraw/zinc/19/56/46/887195646.db2.gz ZHBJFDMSSHOELC-UHFFFAOYSA-N 1 1 317.436 1.957 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001254564402 896502860 /nfs/dbraw/zinc/50/28/60/896502860.db2.gz LNDLKGKDQROGFX-TZMCWYRMSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001254564402 896502868 /nfs/dbraw/zinc/50/28/68/896502868.db2.gz LNDLKGKDQROGFX-TZMCWYRMSA-N 1 1 319.361 1.069 20 5 DDBDMO CC(=O)N1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254608701 896530676 /nfs/dbraw/zinc/53/06/76/896530676.db2.gz SJYLCYWGSNSCRG-MEDUHNTESA-N 1 1 303.362 1.615 20 5 DDBDMO CC(=O)N1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254608701 896530687 /nfs/dbraw/zinc/53/06/87/896530687.db2.gz SJYLCYWGSNSCRG-MEDUHNTESA-N 1 1 303.362 1.615 20 5 DDBDMO COC(=O)C[C@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612382 896533467 /nfs/dbraw/zinc/53/34/67/896533467.db2.gz VUYOGICDLSYQKN-IAQYHMDHSA-N 1 1 304.346 1.947 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001262652334 900286176 /nfs/dbraw/zinc/28/61/76/900286176.db2.gz CXAYTRVUFRXTPU-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC001263679282 900667649 /nfs/dbraw/zinc/66/76/49/900667649.db2.gz MEXXSAQHXPZWEP-UHFFFAOYSA-N 1 1 323.397 1.192 20 5 DDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261678 214054217 /nfs/dbraw/zinc/05/42/17/214054217.db2.gz IGZVKZREEOZTEX-DZGCQCFKSA-N 1 1 324.377 1.441 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278365608 214119300 /nfs/dbraw/zinc/11/93/00/214119300.db2.gz DDQXRAJEXOMLSZ-UHFFFAOYSA-N 1 1 305.338 1.240 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571648 214244985 /nfs/dbraw/zinc/24/49/85/214244985.db2.gz KNSRYTXLAWUNOK-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571648 214244986 /nfs/dbraw/zinc/24/49/86/214244986.db2.gz KNSRYTXLAWUNOK-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000278571648 214244989 /nfs/dbraw/zinc/24/49/89/214244989.db2.gz KNSRYTXLAWUNOK-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000451306468 231063239 /nfs/dbraw/zinc/06/32/39/231063239.db2.gz YHKCGJXGGUVPCI-UAGQMJEPSA-N 1 1 320.389 1.999 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323654 529466461 /nfs/dbraw/zinc/46/64/61/529466461.db2.gz LEVBSTVXRRJKCY-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323654 529466463 /nfs/dbraw/zinc/46/64/63/529466463.db2.gz LEVBSTVXRRJKCY-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323654 529466468 /nfs/dbraw/zinc/46/64/68/529466468.db2.gz LEVBSTVXRRJKCY-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323654 529466469 /nfs/dbraw/zinc/46/64/69/529466469.db2.gz LEVBSTVXRRJKCY-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295655215 529503053 /nfs/dbraw/zinc/50/30/53/529503053.db2.gz HSIXEHQZKNFOME-LBPRGKRZSA-N 1 1 307.350 1.187 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250335 529576641 /nfs/dbraw/zinc/57/66/41/529576641.db2.gz IXQRRSOSLGFNBW-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250335 529576644 /nfs/dbraw/zinc/57/66/44/529576644.db2.gz IXQRRSOSLGFNBW-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000614894742 362066716 /nfs/dbraw/zinc/06/67/16/362066716.db2.gz IZBYAFHHRICMBV-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000614894742 362066721 /nfs/dbraw/zinc/06/67/21/362066721.db2.gz IZBYAFHHRICMBV-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2sccc2C1 ZINC000090512038 185299660 /nfs/dbraw/zinc/29/96/60/185299660.db2.gz UQQJCTBBDCLRPD-UHFFFAOYSA-N 1 1 305.359 1.876 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2sccc2C1 ZINC000090512038 185299661 /nfs/dbraw/zinc/29/96/61/185299661.db2.gz UQQJCTBBDCLRPD-UHFFFAOYSA-N 1 1 305.359 1.876 20 5 DDBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090551324 185302597 /nfs/dbraw/zinc/30/25/97/185302597.db2.gz FCFXUGVRJZIKLR-CZUORRHYSA-N 1 1 323.393 1.892 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000425048276 529823277 /nfs/dbraw/zinc/82/32/77/529823277.db2.gz BBRXBHNGXJVJTJ-GXFFZTMASA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@@H+](CC(C)(C)CO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451260356 529848240 /nfs/dbraw/zinc/84/82/40/529848240.db2.gz ZKUVJAYKYVXOHT-AWEZNQCLSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C1=CC[N@@H+](C)CC1 ZINC000272753448 210157629 /nfs/dbraw/zinc/15/76/29/210157629.db2.gz FDDNCQXIZFDJQL-SNVBAGLBSA-N 1 1 304.350 1.557 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000330918568 232161867 /nfs/dbraw/zinc/16/18/67/232161867.db2.gz XMDBFEPJPFLFJU-NWDGAFQWSA-N 1 1 307.350 1.573 20 5 DDBDMO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272659309 210065128 /nfs/dbraw/zinc/06/51/28/210065128.db2.gz HCOPAJYLOCJWAQ-ABAIWWIYSA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272659309 210065132 /nfs/dbraw/zinc/06/51/32/210065132.db2.gz HCOPAJYLOCJWAQ-ABAIWWIYSA-N 1 1 319.361 1.857 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279892500 215212168 /nfs/dbraw/zinc/21/21/68/215212168.db2.gz UTQUEMFBGFGHDF-CQSZACIVSA-N 1 1 321.377 1.935 20 5 DDBDMO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000279901202 215220847 /nfs/dbraw/zinc/22/08/47/215220847.db2.gz VEGGLDNLRKJPGQ-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000279901202 215220848 /nfs/dbraw/zinc/22/08/48/215220848.db2.gz VEGGLDNLRKJPGQ-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC000133704275 186008647 /nfs/dbraw/zinc/00/86/47/186008647.db2.gz ORDNHJNRPJQWCJ-MFKMUULPSA-N 1 1 319.365 1.009 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181878927 186214100 /nfs/dbraw/zinc/21/41/00/186214100.db2.gz SIPZURBNOKEKJI-KGLIPLIRSA-N 1 1 324.377 1.693 20 5 DDBDMO CC1(C)[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000181914248 186218203 /nfs/dbraw/zinc/21/82/03/186218203.db2.gz IRFXERZWUUJQAI-RWMBFGLXSA-N 1 1 306.362 1.922 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277193075 213357467 /nfs/dbraw/zinc/35/74/67/213357467.db2.gz BORTWMANCMFFBS-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000491290269 234126516 /nfs/dbraw/zinc/12/65/16/234126516.db2.gz BORHBTLREBYFSH-QPJJXVBHSA-N 1 1 301.346 1.915 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000057716562 352825919 /nfs/dbraw/zinc/82/59/19/352825919.db2.gz AHQZNMYGUSGGNL-JTQLQIEISA-N 1 1 307.350 1.816 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711410 353064190 /nfs/dbraw/zinc/06/41/90/353064190.db2.gz FAHRYWYIOOCWBP-NSHDSACASA-N 1 1 304.350 1.603 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072714984 353211927 /nfs/dbraw/zinc/21/19/27/353211927.db2.gz MEMFOFRWFRKOFZ-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072714984 353211929 /nfs/dbraw/zinc/21/19/29/353211929.db2.gz MEMFOFRWFRKOFZ-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000072731514 353213340 /nfs/dbraw/zinc/21/33/40/353213340.db2.gz QQBAUNRFDBXTPA-LBPRGKRZSA-N 1 1 306.366 1.727 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000174288518 198315829 /nfs/dbraw/zinc/31/58/29/198315829.db2.gz NNIFFYSRNKUJNV-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000174288518 198315831 /nfs/dbraw/zinc/31/58/31/198315831.db2.gz NNIFFYSRNKUJNV-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089928376 353783388 /nfs/dbraw/zinc/78/33/88/353783388.db2.gz JOFILSGTWBLCKC-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089928376 353783389 /nfs/dbraw/zinc/78/33/89/353783389.db2.gz JOFILSGTWBLCKC-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nn21 ZINC000091479996 353827877 /nfs/dbraw/zinc/82/78/77/353827877.db2.gz HFEFEKZNSCABFM-SNVBAGLBSA-N 1 1 313.321 1.745 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157920742 354227842 /nfs/dbraw/zinc/22/78/42/354227842.db2.gz PZQGPLAJVNMBNZ-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157920742 354227843 /nfs/dbraw/zinc/22/78/43/354227843.db2.gz PZQGPLAJVNMBNZ-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000290864245 354445213 /nfs/dbraw/zinc/44/52/13/354445213.db2.gz YXEQSFCKIZFFQK-MRVPVSSYSA-N 1 1 319.159 1.009 20 5 DDBDMO Cc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860604 354943767 /nfs/dbraw/zinc/94/37/67/354943767.db2.gz JYQOATUSLJYVOG-STQMWFEESA-N 1 1 319.361 1.184 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc([N+](=O)[O-])c1C ZINC000590047191 355044864 /nfs/dbraw/zinc/04/48/64/355044864.db2.gz XDJJTURWRTUFNN-SMDDNHRTSA-N 1 1 319.361 1.688 20 5 DDBDMO CCOc1cc(C[NH2+][C@H](CO)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276972650 213211450 /nfs/dbraw/zinc/21/14/50/213211450.db2.gz XCIOIAAABVLIRZ-CYBMUJFWSA-N 1 1 320.349 1.550 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505192 355322097 /nfs/dbraw/zinc/32/20/97/355322097.db2.gz DOKXVNXAAOMFOI-NWDGAFQWSA-N 1 1 322.361 1.816 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593071883 355787177 /nfs/dbraw/zinc/78/71/77/355787177.db2.gz VMYXVCQUPFIUKS-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000593187544 355820143 /nfs/dbraw/zinc/82/01/43/355820143.db2.gz LQYORTDHMSBWMH-UPJWGTAASA-N 1 1 321.377 1.913 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593578993 355933141 /nfs/dbraw/zinc/93/31/41/355933141.db2.gz RQBUIIFUODOSOX-WDEREUQCSA-N 1 1 309.341 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC000593912357 356055922 /nfs/dbraw/zinc/05/59/22/356055922.db2.gz LYQYQVUVBGKLHC-BONVTDFDSA-N 1 1 321.381 1.471 20 5 DDBDMO C[C@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594021970 356091713 /nfs/dbraw/zinc/09/17/13/356091713.db2.gz CGAOEKDXFJBEMN-GFCCVEGCSA-N 1 1 316.365 1.607 20 5 DDBDMO COc1cc(C[N@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000594613180 356266445 /nfs/dbraw/zinc/26/64/45/356266445.db2.gz ALMVAGLZVVKKRI-JTQLQIEISA-N 1 1 310.350 1.957 20 5 DDBDMO COc1cc(C[N@@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000594613180 356266448 /nfs/dbraw/zinc/26/64/48/356266448.db2.gz ALMVAGLZVVKKRI-JTQLQIEISA-N 1 1 310.350 1.957 20 5 DDBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000595353705 356460857 /nfs/dbraw/zinc/46/08/57/356460857.db2.gz JUMQQPUZCISXOA-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)on1 ZINC000595460731 356501320 /nfs/dbraw/zinc/50/13/20/356501320.db2.gz GSWXCVYBUUAHCD-UHFFFAOYSA-N 1 1 307.310 1.625 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595741352 356629991 /nfs/dbraw/zinc/62/99/91/356629991.db2.gz MXSGOSBVTLBLFC-GXFFZTMASA-N 1 1 307.325 1.834 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000595744271 356631962 /nfs/dbraw/zinc/63/19/62/356631962.db2.gz VHQBGQPZIFARMN-CHWSQXEVSA-N 1 1 319.361 1.704 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595741352 356629988 /nfs/dbraw/zinc/62/99/88/356629988.db2.gz MXSGOSBVTLBLFC-GXFFZTMASA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1[C@H]([N@@H+]2CCC3(COC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595833427 356670224 /nfs/dbraw/zinc/67/02/24/356670224.db2.gz IRTMRWMDTHNSDF-CQSZACIVSA-N 1 1 317.345 1.422 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC3(COC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595833427 356670229 /nfs/dbraw/zinc/67/02/29/356670229.db2.gz IRTMRWMDTHNSDF-CQSZACIVSA-N 1 1 317.345 1.422 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC3(COC3)C2)c1 ZINC000595835395 356671754 /nfs/dbraw/zinc/67/17/54/356671754.db2.gz PBWNQLQXYMITQG-CYBMUJFWSA-N 1 1 308.334 1.057 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595849474 356676152 /nfs/dbraw/zinc/67/61/52/356676152.db2.gz LNTNZMYWOPZHGM-TXEJJXNPSA-N 1 1 321.333 1.077 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595849474 356676156 /nfs/dbraw/zinc/67/61/56/356676156.db2.gz LNTNZMYWOPZHGM-TXEJJXNPSA-N 1 1 321.333 1.077 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596176407 356802736 /nfs/dbraw/zinc/80/27/36/356802736.db2.gz FVCYCRMVWFQOGI-MNOVXSKESA-N 1 1 306.366 1.613 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596129861 356784960 /nfs/dbraw/zinc/78/49/60/356784960.db2.gz RRRMSCGRJLLWHR-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCC23CC(C2)C[NH2+]3)n1 ZINC000596655749 356943686 /nfs/dbraw/zinc/94/36/86/356943686.db2.gz YMPOMNMHHOOICJ-FMPXUHTOSA-N 1 1 305.382 1.617 20 5 DDBDMO CC1(C)Cc2n[nH]cc2C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000596596977 356929261 /nfs/dbraw/zinc/92/92/61/356929261.db2.gz HRIABAYVDVXDSY-UHFFFAOYSA-N 1 1 304.354 1.599 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816517 356984770 /nfs/dbraw/zinc/98/47/70/356984770.db2.gz JDNDLTZQVKXMJB-SNVBAGLBSA-N 1 1 307.354 1.406 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596817871 356985162 /nfs/dbraw/zinc/98/51/62/356985162.db2.gz UHDNLGTXKMBCHO-UHFFFAOYSA-N 1 1 309.370 1.654 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597859576 357361535 /nfs/dbraw/zinc/36/15/35/357361535.db2.gz VFNYJBUBRWPORO-JTQLQIEISA-N 1 1 324.356 1.919 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000597860018 357362105 /nfs/dbraw/zinc/36/21/05/357362105.db2.gz JWJRPTUBTRLQBQ-SNVBAGLBSA-N 1 1 309.370 1.179 20 5 DDBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598041277 357439649 /nfs/dbraw/zinc/43/96/49/357439649.db2.gz SFCAIXINGURTQK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598041277 357439653 /nfs/dbraw/zinc/43/96/53/357439653.db2.gz SFCAIXINGURTQK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598041277 357439657 /nfs/dbraw/zinc/43/96/57/357439657.db2.gz SFCAIXINGURTQK-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598343799 357546823 /nfs/dbraw/zinc/54/68/23/357546823.db2.gz YFVCRRVMHXWLLJ-SNVBAGLBSA-N 1 1 321.333 1.538 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598622120 357658496 /nfs/dbraw/zinc/65/84/96/357658496.db2.gz ZMUDIPLUJBQFMB-LBPRGKRZSA-N 1 1 322.365 1.553 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000598914021 357756440 /nfs/dbraw/zinc/75/64/40/357756440.db2.gz VKUXHAPNZAHFIV-ZDUSSCGKSA-N 1 1 314.292 1.899 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000598980344 357781958 /nfs/dbraw/zinc/78/19/58/357781958.db2.gz UMSSNDDHAXDDJH-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000599632452 357999328 /nfs/dbraw/zinc/99/93/28/357999328.db2.gz ONPCRWOVEQCUCL-GTQRCTGISA-N 1 1 324.402 1.959 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601006267 358379261 /nfs/dbraw/zinc/37/92/61/358379261.db2.gz TUXDCPWPPZAFIE-QWHCGFSZSA-N 1 1 321.377 1.950 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+](C)C1CC1 ZINC000601108453 358404816 /nfs/dbraw/zinc/40/48/16/358404816.db2.gz KFKSKRBOUGLKKW-UHFFFAOYSA-N 1 1 307.276 1.853 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180931954 199229212 /nfs/dbraw/zinc/22/92/12/199229212.db2.gz GUSVYIBWFOXCSA-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H]1C(=O)N(C)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601149482 358422128 /nfs/dbraw/zinc/42/21/28/358422128.db2.gz MKZOXJQRHCRNLY-SNVBAGLBSA-N 1 1 300.318 1.810 20 5 DDBDMO C[C@H]1C(=O)N(C)CCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601149481 358422192 /nfs/dbraw/zinc/42/21/92/358422192.db2.gz MKZOXJQRHCRNLY-JTQLQIEISA-N 1 1 300.318 1.810 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601170140 358431206 /nfs/dbraw/zinc/43/12/06/358431206.db2.gz XFNKJUPXSGQBDI-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601170140 358431210 /nfs/dbraw/zinc/43/12/10/358431210.db2.gz XFNKJUPXSGQBDI-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000602796898 359199497 /nfs/dbraw/zinc/19/94/97/359199497.db2.gz UFYWZRMHBVPWPM-RDBSUJKOSA-N 1 1 324.381 1.368 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000602796898 359199499 /nfs/dbraw/zinc/19/94/99/359199499.db2.gz UFYWZRMHBVPWPM-RDBSUJKOSA-N 1 1 324.381 1.368 20 5 DDBDMO Cn1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])n1 ZINC000602805592 359204685 /nfs/dbraw/zinc/20/46/85/359204685.db2.gz OQISUBBZAMEPRW-UHFFFAOYSA-N 1 1 316.317 1.836 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602829657 359222657 /nfs/dbraw/zinc/22/26/57/359222657.db2.gz WZUIXVGCQXCROH-LBPRGKRZSA-N 1 1 309.370 1.209 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186797579 200012398 /nfs/dbraw/zinc/01/23/98/200012398.db2.gz IUKZZJDAWRSWNJ-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO CN(CC[N@H+](C)C1CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186797579 200012399 /nfs/dbraw/zinc/01/23/99/200012399.db2.gz IUKZZJDAWRSWNJ-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186797579 200012400 /nfs/dbraw/zinc/01/24/00/200012400.db2.gz IUKZZJDAWRSWNJ-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO C[N@@H+](CCn1ccc(N)c([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000603420729 359629175 /nfs/dbraw/zinc/62/91/75/359629175.db2.gz OLAMMLGBOJEDFA-UHFFFAOYSA-N 1 1 320.324 1.610 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000188818166 200307164 /nfs/dbraw/zinc/30/71/64/200307164.db2.gz YKTDJORZAWKSIY-UHFFFAOYSA-N 1 1 308.338 1.439 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609673801 360343263 /nfs/dbraw/zinc/34/32/63/360343263.db2.gz LDXQRHUEXBHVTR-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000609673801 360343268 /nfs/dbraw/zinc/34/32/68/360343268.db2.gz LDXQRHUEXBHVTR-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CO ZINC000609894841 360362406 /nfs/dbraw/zinc/36/24/06/360362406.db2.gz DNZKGGJNXBQACA-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CO ZINC000609894841 360362412 /nfs/dbraw/zinc/36/24/12/360362412.db2.gz DNZKGGJNXBQACA-UHFFFAOYSA-N 1 1 315.757 1.889 20 5 DDBDMO CN(CCCC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000610112130 360382963 /nfs/dbraw/zinc/38/29/63/360382963.db2.gz YESBRPSTWMTAQE-UHFFFAOYSA-N 1 1 319.365 1.885 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@@H]1C ZINC000610125849 360383944 /nfs/dbraw/zinc/38/39/44/360383944.db2.gz VDAQHTFAUZCQMM-NWDGAFQWSA-N 1 1 308.382 1.878 20 5 DDBDMO O=C(NCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610580901 360475210 /nfs/dbraw/zinc/47/52/10/360475210.db2.gz WRIQEYJVMOOMSP-UHFFFAOYSA-N 1 1 304.306 1.352 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611087608 360618375 /nfs/dbraw/zinc/61/83/75/360618375.db2.gz YAMJNRRRANMUFK-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611087925 360618545 /nfs/dbraw/zinc/61/85/45/360618545.db2.gz SFWPNYGBYIRLSC-LLVKDONJSA-N 1 1 309.370 1.079 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611087925 360618551 /nfs/dbraw/zinc/61/85/51/360618551.db2.gz SFWPNYGBYIRLSC-LLVKDONJSA-N 1 1 309.370 1.079 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)o2)cc1 ZINC000611276774 360687612 /nfs/dbraw/zinc/68/76/12/360687612.db2.gz HUILXRGXHIPTLN-OKILXGFUSA-N 1 1 318.329 1.782 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c2c(c1)COCO2 ZINC000612134115 360929198 /nfs/dbraw/zinc/92/91/98/360929198.db2.gz GSJRKLHXOVSRQX-NZVBXONLSA-N 1 1 320.345 1.664 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264592885 204015150 /nfs/dbraw/zinc/01/51/50/204015150.db2.gz ANYJFTCOCQQRFU-LBPRGKRZSA-N 1 1 319.361 1.574 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000264891089 204243106 /nfs/dbraw/zinc/24/31/06/204243106.db2.gz JTOKDMFWGCSYPG-UHFFFAOYSA-N 1 1 317.349 1.462 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000288202894 220015935 /nfs/dbraw/zinc/01/59/35/220015935.db2.gz BZOZGFCADRTYBJ-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C1 ZINC000288202894 220015938 /nfs/dbraw/zinc/01/59/38/220015938.db2.gz BZOZGFCADRTYBJ-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@@H+](CCCC(=O)NC(N)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282500316 217042381 /nfs/dbraw/zinc/04/23/81/217042381.db2.gz QUKUFLZIDCSMMK-UHFFFAOYSA-N 1 1 308.338 1.044 20 5 DDBDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCCF ZINC000282545536 217078577 /nfs/dbraw/zinc/07/85/77/217078577.db2.gz CLJKGSDBLKZABP-QMMMGPOBSA-N 1 1 303.721 1.812 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000268188011 206528908 /nfs/dbraw/zinc/52/89/08/206528908.db2.gz DQSHJAHXMZOSKC-NSHDSACASA-N 1 1 321.381 1.479 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000105824078 194137857 /nfs/dbraw/zinc/13/78/57/194137857.db2.gz MIWSTJFFHIUTGG-CHWSQXEVSA-N 1 1 323.393 1.490 20 5 DDBDMO COc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285209732 218334651 /nfs/dbraw/zinc/33/46/51/218334651.db2.gz WYZSXQOYXVBSFE-UONOGXRCSA-N 1 1 307.350 1.513 20 5 DDBDMO CCOC(=O)[C@](C)(O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285275868 218362561 /nfs/dbraw/zinc/36/25/61/218362561.db2.gz IZERAXCPRRCZLS-OAHLLOKOSA-N 1 1 310.350 1.383 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285335513 218387447 /nfs/dbraw/zinc/38/74/47/218387447.db2.gz OGAUQFCFERWNBS-MRXNPFEDSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285335513 218387449 /nfs/dbraw/zinc/38/74/49/218387449.db2.gz OGAUQFCFERWNBS-MRXNPFEDSA-N 1 1 322.361 1.855 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000110993433 194379289 /nfs/dbraw/zinc/37/92/89/194379289.db2.gz KWNCOHGVIKBLFU-NSHDSACASA-N 1 1 309.370 1.241 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000269110788 207249854 /nfs/dbraw/zinc/24/98/54/207249854.db2.gz OYXWEMUEMYSZIL-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000302486847 532955234 /nfs/dbraw/zinc/95/52/34/532955234.db2.gz YRHNWBBLGCTQNO-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000302486847 532955240 /nfs/dbraw/zinc/95/52/40/532955240.db2.gz YRHNWBBLGCTQNO-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269265698 207407751 /nfs/dbraw/zinc/40/77/51/207407751.db2.gz DCZLUYDOOUPNBW-SNVBAGLBSA-N 1 1 305.334 1.515 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269265698 207407758 /nfs/dbraw/zinc/40/77/58/207407758.db2.gz DCZLUYDOOUPNBW-SNVBAGLBSA-N 1 1 305.334 1.515 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000158701142 197295055 /nfs/dbraw/zinc/29/50/55/197295055.db2.gz MVIZKTMFILADPE-AWEZNQCLSA-N 1 1 307.354 1.096 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1=O ZINC000352551220 285134081 /nfs/dbraw/zinc/13/40/81/285134081.db2.gz WQEFYBODKWBOCY-HNNXBMFYSA-N 1 1 303.362 1.832 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000352657373 285201069 /nfs/dbraw/zinc/20/10/69/285201069.db2.gz ACMSNRVTKOAGIH-KGLIPLIRSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352659457 285204092 /nfs/dbraw/zinc/20/40/92/285204092.db2.gz JQPMKXHCGYSHGD-DDTOSNHZSA-N 1 1 307.350 1.767 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659752 285204215 /nfs/dbraw/zinc/20/42/15/285204215.db2.gz LDZFEUSGPDYADK-SWHYSGLUSA-N 1 1 307.350 1.767 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000155456598 197056950 /nfs/dbraw/zinc/05/69/50/197056950.db2.gz VCMRCMOHSNFPHZ-TXEJJXNPSA-N 1 1 307.350 1.525 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294978162 533216926 /nfs/dbraw/zinc/21/69/26/533216926.db2.gz GKHWKYHRBQJRFA-INIZCTEOSA-N 1 1 322.361 1.915 20 5 DDBDMO COc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)ccc1[N+](=O)[O-] ZINC000352781729 285297633 /nfs/dbraw/zinc/29/76/33/285297633.db2.gz YYLWNRZNKHRMJI-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)ccc1[N+](=O)[O-] ZINC000352781729 285297634 /nfs/dbraw/zinc/29/76/34/285297634.db2.gz YYLWNRZNKHRMJI-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414215258 224313169 /nfs/dbraw/zinc/31/31/69/224313169.db2.gz UJCRYSBAGVOQJB-LLVKDONJSA-N 1 1 307.350 1.541 20 5 DDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451836359 533530421 /nfs/dbraw/zinc/53/04/21/533530421.db2.gz BMXPNAAKLHINKJ-MGPQQGTHSA-N 1 1 324.381 1.042 20 5 DDBDMO CC[N@@H+](CCc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266565691 407563802 /nfs/dbraw/zinc/56/38/02/407563802.db2.gz ZMTXVDMWURRXEI-CYBMUJFWSA-N 1 1 324.406 1.778 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069288 406805600 /nfs/dbraw/zinc/80/56/00/406805600.db2.gz KDAYPIVAKDLDCM-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000074137813 406902412 /nfs/dbraw/zinc/90/24/12/406902412.db2.gz WCVPUIDYCJZLLB-CYBMUJFWSA-N 1 1 320.393 1.208 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000075848993 406943261 /nfs/dbraw/zinc/94/32/61/406943261.db2.gz KJGXXGOMSHIQDM-GFCCVEGCSA-N 1 1 319.361 1.574 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000101976412 407318635 /nfs/dbraw/zinc/31/86/35/407318635.db2.gz SCGMSCJTRXNSNA-UHFFFAOYSA-N 1 1 323.397 1.646 20 5 DDBDMO O=C(NCCC[NH+]1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000067722624 407281283 /nfs/dbraw/zinc/28/12/83/407281283.db2.gz BJNCJJBFLASENA-UHFFFAOYSA-N 1 1 322.365 1.116 20 5 DDBDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000124344142 407355734 /nfs/dbraw/zinc/35/57/34/407355734.db2.gz ZSYGWMHLZREQSE-UHFFFAOYSA-N 1 1 314.345 1.763 20 5 DDBDMO Cc1[nH+]ccn1CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000124364539 407355951 /nfs/dbraw/zinc/35/59/51/407355951.db2.gz XWKWPONPKQPHOI-UHFFFAOYSA-N 1 1 314.301 1.786 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000108784680 407390524 /nfs/dbraw/zinc/39/05/24/407390524.db2.gz GIXPJSDPFCSXGQ-JTQLQIEISA-N 1 1 307.325 1.948 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125636432 407394015 /nfs/dbraw/zinc/39/40/15/407394015.db2.gz AHDPXVWDWSREPR-LLVKDONJSA-N 1 1 314.345 1.825 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000127497860 407439043 /nfs/dbraw/zinc/43/90/43/407439043.db2.gz HVPMAKGSLRFCGD-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320756 407407389 /nfs/dbraw/zinc/40/73/89/407407389.db2.gz FRLBOFORXPRZPD-ZEIJEMSESA-N 1 1 319.361 1.910 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000112310641 407425864 /nfs/dbraw/zinc/42/58/64/407425864.db2.gz KZUSVZCODFXAPH-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000266555549 407556452 /nfs/dbraw/zinc/55/64/52/407556452.db2.gz VVLGYKRKLZBDPH-WDEREUQCSA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000266555549 407556456 /nfs/dbraw/zinc/55/64/56/407556456.db2.gz VVLGYKRKLZBDPH-WDEREUQCSA-N 1 1 313.379 1.279 20 5 DDBDMO C[NH+](C)C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478673 407579620 /nfs/dbraw/zinc/57/96/20/407579620.db2.gz JRIXGMMSFXWKNJ-CYBMUJFWSA-N 1 1 320.393 1.807 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171192868 407623986 /nfs/dbraw/zinc/62/39/86/407623986.db2.gz XNCUOZIHKRVUMO-AWEZNQCLSA-N 1 1 306.366 1.531 20 5 DDBDMO C[NH2+]CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000261975690 407697742 /nfs/dbraw/zinc/69/77/42/407697742.db2.gz QPTJGJVVUGHKRL-UHFFFAOYSA-N 1 1 306.366 1.125 20 5 DDBDMO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000171759018 407761120 /nfs/dbraw/zinc/76/11/20/407761120.db2.gz AAQFGLLOMFVSML-SWLSCSKDSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000171759018 407761126 /nfs/dbraw/zinc/76/11/26/407761126.db2.gz AAQFGLLOMFVSML-SWLSCSKDSA-N 1 1 319.361 1.811 20 5 DDBDMO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000153721250 407886895 /nfs/dbraw/zinc/88/68/95/407886895.db2.gz CGXSTGQGPRJLKX-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102280 407888672 /nfs/dbraw/zinc/88/86/72/407888672.db2.gz FTHXKLZLDONKFT-SMDDNHRTSA-N 1 1 318.377 1.877 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153784972 407901556 /nfs/dbraw/zinc/90/15/56/407901556.db2.gz WDIVRPSSFFXETD-CJNGLKHVSA-N 1 1 321.377 1.476 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000268216215 407952680 /nfs/dbraw/zinc/95/26/80/407952680.db2.gz PNXGBLYEUFLPCL-CABZTGNLSA-N 1 1 304.350 1.390 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181088079 407956460 /nfs/dbraw/zinc/95/64/60/407956460.db2.gz FZSSOMMVODAKNJ-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO CCCCNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866834 407959428 /nfs/dbraw/zinc/95/94/28/407959428.db2.gz KUJVCEGPNNCLGJ-LBPRGKRZSA-N 1 1 321.381 1.392 20 5 DDBDMO CCCCNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866834 407959435 /nfs/dbraw/zinc/95/94/35/407959435.db2.gz KUJVCEGPNNCLGJ-LBPRGKRZSA-N 1 1 321.381 1.392 20 5 DDBDMO Cc1nc(N(C)CCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268481278 408065285 /nfs/dbraw/zinc/06/52/85/408065285.db2.gz LMWGSFKAIPHUBV-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154862857 408099663 /nfs/dbraw/zinc/09/96/63/408099663.db2.gz MPIRBIBVYGPGJR-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000154941780 408105298 /nfs/dbraw/zinc/10/52/98/408105298.db2.gz RLCPDYHMTWFYJD-JTQLQIEISA-N 1 1 306.370 1.420 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCCO)Cc2ccccc2)n1 ZINC000269013150 408225197 /nfs/dbraw/zinc/22/51/97/408225197.db2.gz VWPKFBPWJLFDLX-UHFFFAOYSA-N 1 1 304.350 1.676 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000122272754 408276319 /nfs/dbraw/zinc/27/63/19/408276319.db2.gz MZXWKCAEKXVJLA-GFCCVEGCSA-N 1 1 319.365 1.098 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000122272754 408276325 /nfs/dbraw/zinc/27/63/25/408276325.db2.gz MZXWKCAEKXVJLA-GFCCVEGCSA-N 1 1 319.365 1.098 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCn3ccnc3)C2)nc1 ZINC000183190417 408348087 /nfs/dbraw/zinc/34/80/87/408348087.db2.gz MLOLLJIUQJUKTM-ZDUSSCGKSA-N 1 1 316.365 1.763 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000264221940 408409991 /nfs/dbraw/zinc/40/99/91/408409991.db2.gz WBSAVOJOGJDVHI-UHFFFAOYSA-N 1 1 323.397 1.480 20 5 DDBDMO Cc1nc(N[C@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274526597 408439033 /nfs/dbraw/zinc/43/90/33/408439033.db2.gz XUQOYQFZNHZADF-GFCCVEGCSA-N 1 1 307.398 1.736 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274667560 408488511 /nfs/dbraw/zinc/48/85/11/408488511.db2.gz RPJRIBKTIRXOBK-INIZCTEOSA-N 1 1 322.361 1.873 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000247658923 408501019 /nfs/dbraw/zinc/50/10/19/408501019.db2.gz XHRZIOTYENHYSJ-TZMCWYRMSA-N 1 1 304.354 1.571 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000192029884 408531770 /nfs/dbraw/zinc/53/17/70/408531770.db2.gz AHOPVGYJAVIQDY-NWDGAFQWSA-N 1 1 322.365 1.514 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000248458521 408572243 /nfs/dbraw/zinc/57/22/43/408572243.db2.gz NAHURKVYNLBLOG-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000248458521 408572245 /nfs/dbraw/zinc/57/22/45/408572245.db2.gz NAHURKVYNLBLOG-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO CNC(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265186487 408574050 /nfs/dbraw/zinc/57/40/50/408574050.db2.gz GFRZAMPCXJTVIL-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000248479641 408576658 /nfs/dbraw/zinc/57/66/58/408576658.db2.gz ZXVGBDRWWXNVCC-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(O)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000177311534 408578150 /nfs/dbraw/zinc/57/81/50/408578150.db2.gz SVCQTSCIFYTVKT-CQSZACIVSA-N 1 1 319.361 1.547 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192465094 408592242 /nfs/dbraw/zinc/59/22/42/408592242.db2.gz BALWFRZQXHDMPY-TXEJJXNPSA-N 1 1 304.350 1.027 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248594663 408593548 /nfs/dbraw/zinc/59/35/48/408593548.db2.gz SNKOIZSTJNTCCX-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248594663 408593552 /nfs/dbraw/zinc/59/35/52/408593552.db2.gz SNKOIZSTJNTCCX-RYUDHWBXSA-N 1 1 307.350 1.544 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000270619763 408606825 /nfs/dbraw/zinc/60/68/25/408606825.db2.gz RGNMKUUFYGAAKQ-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270619763 408606828 /nfs/dbraw/zinc/60/68/28/408606828.db2.gz RGNMKUUFYGAAKQ-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000270619763 408606830 /nfs/dbraw/zinc/60/68/30/408606830.db2.gz RGNMKUUFYGAAKQ-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO COC(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000265373651 408628148 /nfs/dbraw/zinc/62/81/48/408628148.db2.gz WTFYUNSCUXYSST-UHFFFAOYSA-N 1 1 307.350 1.670 20 5 DDBDMO C[C@H](c1cccnc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680738 408634090 /nfs/dbraw/zinc/63/40/90/408634090.db2.gz UPNOSDPQCLECKZ-BXUZGUMPSA-N 1 1 305.338 1.240 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)C1CCOCC1 ZINC000275669594 408640625 /nfs/dbraw/zinc/64/06/25/408640625.db2.gz YXXJMQBYGYLJPI-UHFFFAOYSA-N 1 1 310.350 1.447 20 5 DDBDMO CC[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796389 408714738 /nfs/dbraw/zinc/71/47/38/408714738.db2.gz QNEJPXFNMUPRQG-KGLIPLIRSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796389 408714744 /nfs/dbraw/zinc/71/47/44/408714744.db2.gz QNEJPXFNMUPRQG-KGLIPLIRSA-N 1 1 307.350 1.493 20 5 DDBDMO Cc1cc(NC(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193514649 408723898 /nfs/dbraw/zinc/72/38/98/408723898.db2.gz UHOXHOADCYZQIC-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000162670567 408725691 /nfs/dbraw/zinc/72/56/91/408725691.db2.gz WGGAEJYSPPVETO-JQWIXIFHSA-N 1 1 319.365 1.407 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251655664 408784200 /nfs/dbraw/zinc/78/42/00/408784200.db2.gz HTRFWMIFWMOBLC-WOSRLPQWSA-N 1 1 324.377 1.691 20 5 DDBDMO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000178213379 408788428 /nfs/dbraw/zinc/78/84/28/408788428.db2.gz RFGNERWACTXVDD-CYBMUJFWSA-N 1 1 308.382 1.845 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCO ZINC000281622744 408898492 /nfs/dbraw/zinc/89/84/92/408898492.db2.gz HRCOTUPBEBKQTN-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCCO ZINC000281622744 408898496 /nfs/dbraw/zinc/89/84/96/408898496.db2.gz HRCOTUPBEBKQTN-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277404969 408934671 /nfs/dbraw/zinc/93/46/71/408934671.db2.gz YRPYSVOXOZWZGE-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(N)ccc1[N+](=O)[O-] ZINC000286328484 408964009 /nfs/dbraw/zinc/96/40/09/408964009.db2.gz LHOVSEPJMQOGTQ-YPMHNXCESA-N 1 1 306.366 1.476 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277630161 408980940 /nfs/dbraw/zinc/98/09/40/408980940.db2.gz XBWGFHDDCWGJRS-LBPRGKRZSA-N 1 1 320.349 1.442 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310708 409017303 /nfs/dbraw/zinc/01/73/03/409017303.db2.gz JKGPJECJYBQGSE-JSGCOSHPSA-N 1 1 312.366 1.427 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000277895381 409030102 /nfs/dbraw/zinc/03/01/02/409030102.db2.gz GDRCOEPNCLMJOQ-JTQLQIEISA-N 1 1 309.370 1.483 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294082095 409237421 /nfs/dbraw/zinc/23/74/21/409237421.db2.gz JTDZTCLQKWGBDA-CQSZACIVSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294082095 409237423 /nfs/dbraw/zinc/23/74/23/409237423.db2.gz JTDZTCLQKWGBDA-CQSZACIVSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294082095 409237425 /nfs/dbraw/zinc/23/74/25/409237425.db2.gz JTDZTCLQKWGBDA-CQSZACIVSA-N 1 1 307.354 1.184 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000279391110 409205094 /nfs/dbraw/zinc/20/50/94/409205094.db2.gz UHCKQMIWIBKABR-CZUORRHYSA-N 1 1 324.377 1.835 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000290053770 409292641 /nfs/dbraw/zinc/29/26/41/409292641.db2.gz IFZXNLOWMDOABJ-UHFFFAOYSA-N 1 1 312.370 1.143 20 5 DDBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])o1)CC[NH+](C)C ZINC000290053770 409292644 /nfs/dbraw/zinc/29/26/44/409292644.db2.gz IFZXNLOWMDOABJ-UHFFFAOYSA-N 1 1 312.370 1.143 20 5 DDBDMO Cc1c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cccc1[N+](=O)[O-] ZINC000295056427 409311122 /nfs/dbraw/zinc/31/11/22/409311122.db2.gz AZFQBNRVCAZILP-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280684772 409408554 /nfs/dbraw/zinc/40/85/54/409408554.db2.gz HALQIVSWMVINKV-HNNXBMFYSA-N 1 1 320.349 1.121 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198839 164026246 /nfs/dbraw/zinc/02/62/46/164026246.db2.gz NMIWHHPMHQMUFW-MJVIPROJSA-N 1 1 305.334 1.236 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000317198839 164026248 /nfs/dbraw/zinc/02/62/48/164026248.db2.gz NMIWHHPMHQMUFW-MJVIPROJSA-N 1 1 305.334 1.236 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000319187107 164035148 /nfs/dbraw/zinc/03/51/48/164035148.db2.gz OSBAEQIEXGKSQB-UWVGGRQHSA-N 1 1 308.338 1.671 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000321723616 164045101 /nfs/dbraw/zinc/04/51/01/164045101.db2.gz ZXTUUSQAZQLYMG-OLZOCXBDSA-N 1 1 318.377 1.993 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285592923 409502124 /nfs/dbraw/zinc/50/21/24/409502124.db2.gz CALDFNMWFSPXNF-MNOVXSKESA-N 1 1 311.363 1.201 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000354077065 409636508 /nfs/dbraw/zinc/63/65/08/409636508.db2.gz ZRIVKGSKOMDLHY-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000354077065 409636517 /nfs/dbraw/zinc/63/65/17/409636517.db2.gz ZRIVKGSKOMDLHY-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356793985 409613190 /nfs/dbraw/zinc/61/31/90/409613190.db2.gz LWBVGLBWLPTQQB-MNOVXSKESA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000356793985 409613198 /nfs/dbraw/zinc/61/31/98/409613198.db2.gz LWBVGLBWLPTQQB-MNOVXSKESA-N 1 1 322.365 1.695 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000342533363 409703049 /nfs/dbraw/zinc/70/30/49/409703049.db2.gz JLUVAFJIUVMWAH-LLVKDONJSA-N 1 1 311.313 1.184 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356843276 409656439 /nfs/dbraw/zinc/65/64/39/409656439.db2.gz GIBLQKDZLQTATP-STQMWFEESA-N 1 1 320.393 1.582 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331596387 409673943 /nfs/dbraw/zinc/67/39/43/409673943.db2.gz UCNSFDSJZCGBFG-KBPBESRZSA-N 1 1 312.370 1.043 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000354405383 409833632 /nfs/dbraw/zinc/83/36/32/409833632.db2.gz UQPXDKDFALEWRQ-PWSUYJOCSA-N 1 1 323.397 1.582 20 5 DDBDMO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000332061811 409845535 /nfs/dbraw/zinc/84/55/35/409845535.db2.gz QVLVHKXDFAWQCW-LLVKDONJSA-N 1 1 321.333 1.614 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000332061811 409845540 /nfs/dbraw/zinc/84/55/40/409845540.db2.gz QVLVHKXDFAWQCW-LLVKDONJSA-N 1 1 321.333 1.614 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346254950 409878471 /nfs/dbraw/zinc/87/84/71/409878471.db2.gz HSTLVKNXIPQTTC-TUAOUCFPSA-N 1 1 321.381 1.131 20 5 DDBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354485095 409891766 /nfs/dbraw/zinc/89/17/66/409891766.db2.gz BOVCAQAXZQHVFS-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000354485095 409891770 /nfs/dbraw/zinc/89/17/70/409891770.db2.gz BOVCAQAXZQHVFS-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338375371 409947626 /nfs/dbraw/zinc/94/76/26/409947626.db2.gz DNVWEMITDVKVIL-NSHDSACASA-N 1 1 322.365 1.303 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342938707 410014712 /nfs/dbraw/zinc/01/47/12/410014712.db2.gz YLCKWYJLAPFHJZ-QWRGUYRKSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342938707 410014715 /nfs/dbraw/zinc/01/47/15/410014715.db2.gz YLCKWYJLAPFHJZ-QWRGUYRKSA-N 1 1 322.365 1.614 20 5 DDBDMO O=c1c([N+](=O)[O-])cccn1Cc1[nH+]ccn1CC(F)(F)F ZINC000343214994 410242337 /nfs/dbraw/zinc/24/23/37/410242337.db2.gz XQAHYSOSLWRSRS-UHFFFAOYSA-N 1 1 302.212 1.564 20 5 DDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347010716 410308387 /nfs/dbraw/zinc/30/83/87/410308387.db2.gz HIHHMBGAUOULKK-OAHLLOKOSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCCC[C@H]1C ZINC000347012136 410312911 /nfs/dbraw/zinc/31/29/11/410312911.db2.gz LSJBRUAPOIIYCR-MNOVXSKESA-N 1 1 309.370 1.321 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343457053 410468823 /nfs/dbraw/zinc/46/88/23/410468823.db2.gz KOYBYCNWNJOCKQ-ZWNOBZJWSA-N 1 1 306.366 1.849 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355373638 410475740 /nfs/dbraw/zinc/47/57/40/410475740.db2.gz ULJOLMVAHWISJQ-HUUCEWRRSA-N 1 1 319.361 1.530 20 5 DDBDMO C[C@H](O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339738358 410426917 /nfs/dbraw/zinc/42/69/17/410426917.db2.gz HBRRZQMYYAWZEL-ZDUSSCGKSA-N 1 1 321.377 1.514 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343427197 410442317 /nfs/dbraw/zinc/44/23/17/410442317.db2.gz DQVDDGJGHLUTHY-PWSUYJOCSA-N 1 1 309.370 1.125 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000347361673 410495934 /nfs/dbraw/zinc/49/59/34/410495934.db2.gz PWMBVKBYKCWAIX-SVTZGKHISA-N 1 1 304.350 1.741 20 5 DDBDMO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)O ZINC000352195633 410536805 /nfs/dbraw/zinc/53/68/05/410536805.db2.gz SCARUSNGJHLICS-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)O ZINC000352195633 410536812 /nfs/dbraw/zinc/53/68/12/410536812.db2.gz SCARUSNGJHLICS-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H](C)O ZINC000352202347 410543659 /nfs/dbraw/zinc/54/36/59/410543659.db2.gz JHEFRJFPZHOZEO-LLVKDONJSA-N 1 1 309.366 1.935 20 5 DDBDMO CN(C(=O)C[N@H+](C)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000352201213 410544181 /nfs/dbraw/zinc/54/41/81/410544181.db2.gz DZENGSJKRNKFIB-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000352201213 410544184 /nfs/dbraw/zinc/54/41/84/410544184.db2.gz DZENGSJKRNKFIB-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO Cc1nn(C)c(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000301717106 410779193 /nfs/dbraw/zinc/77/91/93/410779193.db2.gz NRYPJZPGKOBCDI-GFCCVEGCSA-N 1 1 318.381 1.829 20 5 DDBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330571999 410789032 /nfs/dbraw/zinc/78/90/32/410789032.db2.gz DKAINMBLKOZFIB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330571999 410789035 /nfs/dbraw/zinc/78/90/35/410789035.db2.gz DKAINMBLKOZFIB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301998370 410836968 /nfs/dbraw/zinc/83/69/68/410836968.db2.gz PIFMNFHDUCOYAZ-NSHDSACASA-N 1 1 304.354 1.416 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330689132 410879418 /nfs/dbraw/zinc/87/94/18/410879418.db2.gz XTWUHEBUMXGGEM-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331078761 410935073 /nfs/dbraw/zinc/93/50/73/410935073.db2.gz XSHOKWZAIFLAMY-LLVKDONJSA-N 1 1 309.370 1.067 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331078761 410935081 /nfs/dbraw/zinc/93/50/81/410935081.db2.gz XSHOKWZAIFLAMY-LLVKDONJSA-N 1 1 309.370 1.067 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)o1 ZINC000359974849 410977450 /nfs/dbraw/zinc/97/74/50/410977450.db2.gz PLDGINFVUMTOQM-NWDGAFQWSA-N 1 1 318.329 1.782 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085594 410946163 /nfs/dbraw/zinc/94/61/63/410946163.db2.gz SLPDWASCHPXQQN-CQDKDKBSSA-N 1 1 319.361 1.260 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556868 411015193 /nfs/dbraw/zinc/01/51/93/411015193.db2.gz QCPRJOWQPBLULT-AAEUAGOBSA-N 1 1 310.350 1.957 20 5 DDBDMO CC(C)Oc1nc(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000580725714 422951198 /nfs/dbraw/zinc/95/11/98/422951198.db2.gz UJYYCSZYGFKGTN-JTQLQIEISA-N 1 1 317.349 2.470 20 5 DDBDMO CC(C)Oc1nc(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000580725714 422951200 /nfs/dbraw/zinc/95/12/00/422951200.db2.gz UJYYCSZYGFKGTN-JTQLQIEISA-N 1 1 317.349 2.470 20 5 DDBDMO COCCCOCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000271632754 209078243 /nfs/dbraw/zinc/07/82/43/209078243.db2.gz YPMUVNQYGZSAGN-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295588615 225020807 /nfs/dbraw/zinc/02/08/07/225020807.db2.gz WGGFSCYTSDHNAM-CQSZACIVSA-N 1 1 321.377 1.100 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373929379 418475002 /nfs/dbraw/zinc/47/50/02/418475002.db2.gz OJIZHBWNPJVSBB-GXTWGEPZSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C1CO[C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2N1 ZINC000366784190 418517786 /nfs/dbraw/zinc/51/77/86/418517786.db2.gz UKSZQTFYRKLPCA-UFYXKPLISA-N 1 1 317.345 1.197 20 5 DDBDMO O=C1CO[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2N1 ZINC000366784190 418517790 /nfs/dbraw/zinc/51/77/90/418517790.db2.gz UKSZQTFYRKLPCA-UFYXKPLISA-N 1 1 317.345 1.197 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374836179 418567986 /nfs/dbraw/zinc/56/79/86/418567986.db2.gz ZICQNKHAXYJCMX-ZJUUUORDSA-N 1 1 322.340 1.673 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375025227 418590198 /nfs/dbraw/zinc/59/01/98/418590198.db2.gz YNFVPYGAQJSDTH-HIFRSBDPSA-N 1 1 318.377 1.830 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375031386 418591656 /nfs/dbraw/zinc/59/16/56/418591656.db2.gz NPCGQTGCLAWNHP-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375102108 418605414 /nfs/dbraw/zinc/60/54/14/418605414.db2.gz SAUZYTYIJFLUSV-NSHDSACASA-N 1 1 320.349 1.314 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000361262703 418613948 /nfs/dbraw/zinc/61/39/48/418613948.db2.gz OOIHAIMKVUPMRK-SKDRFNHKSA-N 1 1 303.322 1.629 20 5 DDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367841000 418644781 /nfs/dbraw/zinc/64/47/81/418644781.db2.gz SQPGRNBDAXTQRU-GDNZZTSVSA-N 1 1 314.288 1.866 20 5 DDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367841000 418644782 /nfs/dbraw/zinc/64/47/82/418644782.db2.gz SQPGRNBDAXTQRU-GDNZZTSVSA-N 1 1 314.288 1.866 20 5 DDBDMO C[C@@H]1COCCN1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375610814 418661206 /nfs/dbraw/zinc/66/12/06/418661206.db2.gz HDTQXXZUGZGHKB-ZIAGYGMSSA-N 1 1 323.397 1.149 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408144231 418789624 /nfs/dbraw/zinc/78/96/24/418789624.db2.gz HNHNOXLHBMRBGU-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408144231 418789627 /nfs/dbraw/zinc/78/96/27/418789627.db2.gz HNHNOXLHBMRBGU-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000364620492 418793929 /nfs/dbraw/zinc/79/39/29/418793929.db2.gz TVUPZUQCDXLGGN-MRXNPFEDSA-N 1 1 321.377 1.792 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000371825689 418820424 /nfs/dbraw/zinc/82/04/24/418820424.db2.gz XRPUQOWYRGBFKX-CYBMUJFWSA-N 1 1 302.334 1.982 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000371825689 418820427 /nfs/dbraw/zinc/82/04/27/418820427.db2.gz XRPUQOWYRGBFKX-CYBMUJFWSA-N 1 1 302.334 1.982 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411233345 418883328 /nfs/dbraw/zinc/88/33/28/418883328.db2.gz CABWOBLFUNAHPE-NSHDSACASA-N 1 1 323.349 1.389 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000411921043 419490154 /nfs/dbraw/zinc/49/01/54/419490154.db2.gz JDPDCIJGROCWFT-QWRGUYRKSA-N 1 1 307.306 1.318 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000411921043 419490162 /nfs/dbraw/zinc/49/01/62/419490162.db2.gz JDPDCIJGROCWFT-QWRGUYRKSA-N 1 1 307.306 1.318 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411935956 419502673 /nfs/dbraw/zinc/50/26/73/419502673.db2.gz LHEFNKSCPDQNGN-GFCCVEGCSA-N 1 1 307.350 1.384 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000421699028 419683742 /nfs/dbraw/zinc/68/37/42/419683742.db2.gz ABSJOZTUKWHEMM-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]([NH3+])C1CC1 ZINC000414884734 419858654 /nfs/dbraw/zinc/85/86/54/419858654.db2.gz FZHOVYGFGKOITK-QMTHXVAHSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](N)C1CC1 ZINC000414884734 419858659 /nfs/dbraw/zinc/85/86/59/419858659.db2.gz FZHOVYGFGKOITK-QMTHXVAHSA-N 1 1 306.366 1.639 20 5 DDBDMO COc1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000432431803 229103600 /nfs/dbraw/zinc/10/36/00/229103600.db2.gz DWGXSXHPNQERFM-UHFFFAOYSA-N 1 1 320.349 1.987 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000299504319 229162595 /nfs/dbraw/zinc/16/25/95/229162595.db2.gz LMZDZFUBGKDLBD-LBPRGKRZSA-N 1 1 323.397 1.480 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020543 419916335 /nfs/dbraw/zinc/91/63/35/419916335.db2.gz BEQLZSPBZCEFHG-JWFUOXDNSA-N 1 1 304.350 1.119 20 5 DDBDMO C[NH2+]CCCN(C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420393941 420258685 /nfs/dbraw/zinc/25/86/85/420258685.db2.gz ZEVMSNJGRKJLKV-UHFFFAOYSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416291931 420310514 /nfs/dbraw/zinc/31/05/14/420310514.db2.gz IFTBUKDPRHEWEQ-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416291931 420310516 /nfs/dbraw/zinc/31/05/16/420310516.db2.gz IFTBUKDPRHEWEQ-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416294087 420311675 /nfs/dbraw/zinc/31/16/75/420311675.db2.gz KOZFTFHJLBULLF-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416294087 420311678 /nfs/dbraw/zinc/31/16/78/420311678.db2.gz KOZFTFHJLBULLF-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425549782 420416529 /nfs/dbraw/zinc/41/65/29/420416529.db2.gz ODALTHWXPCWRDP-LLVKDONJSA-N 1 1 303.322 1.581 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417759892 420470800 /nfs/dbraw/zinc/47/08/00/420470800.db2.gz FKUKPPAOAPKPAT-UHFFFAOYSA-N 1 1 302.281 1.031 20 5 DDBDMO Cc1nn(C)c(NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000440681135 420596218 /nfs/dbraw/zinc/59/62/18/420596218.db2.gz ZJVCYOLEEDUNDZ-UHFFFAOYSA-N 1 1 310.402 1.075 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452068838 420621298 /nfs/dbraw/zinc/62/12/98/420621298.db2.gz PEASLJKCXMQBOJ-ZWNOBZJWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000452068838 420621301 /nfs/dbraw/zinc/62/13/01/420621301.db2.gz PEASLJKCXMQBOJ-ZWNOBZJWSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452069542 420621487 /nfs/dbraw/zinc/62/14/87/420621487.db2.gz QCBAGQNWARKFBT-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452069542 420621490 /nfs/dbraw/zinc/62/14/90/420621490.db2.gz QCBAGQNWARKFBT-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000444686813 420759855 /nfs/dbraw/zinc/75/98/55/420759855.db2.gz UEMOKZFSLIMOIA-ZJUUUORDSA-N 1 1 308.338 1.035 20 5 DDBDMO C[C@H](CO)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](C)O ZINC000444686813 420759858 /nfs/dbraw/zinc/75/98/58/420759858.db2.gz UEMOKZFSLIMOIA-ZJUUUORDSA-N 1 1 308.338 1.035 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443058084 420739506 /nfs/dbraw/zinc/73/95/06/420739506.db2.gz JBRPLIPMNVTHFZ-ZDUSSCGKSA-N 1 1 320.393 1.903 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000454142738 420805186 /nfs/dbraw/zinc/80/51/86/420805186.db2.gz IWBQIAQGBZPNLR-TXEJJXNPSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000454142738 420805188 /nfs/dbraw/zinc/80/51/88/420805188.db2.gz IWBQIAQGBZPNLR-TXEJJXNPSA-N 1 1 322.365 1.514 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000493623088 420899211 /nfs/dbraw/zinc/89/92/11/420899211.db2.gz MJQDXRKJYRKIGC-GCLPIYDQSA-N 1 1 311.288 1.674 20 5 DDBDMO CCOC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706768 420853184 /nfs/dbraw/zinc/85/31/84/420853184.db2.gz JEAHJLPCSPMOSU-OCCSQVGLSA-N 1 1 312.370 1.043 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)o2)cc1 ZINC000459718389 420856337 /nfs/dbraw/zinc/85/63/37/420856337.db2.gz XHCSYBPJSKIOHS-WFASDCNBSA-N 1 1 318.329 1.640 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449355951 420996444 /nfs/dbraw/zinc/99/64/44/420996444.db2.gz ALSZDKBBTFKIBP-ZDUSSCGKSA-N 1 1 320.345 1.606 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000449430240 421011739 /nfs/dbraw/zinc/01/17/39/421011739.db2.gz BVOPQTGUJLKBIW-NUEKZKHPSA-N 1 1 306.362 1.957 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725758 421108083 /nfs/dbraw/zinc/10/80/83/421108083.db2.gz BDKBKHIBIKDFHE-NWDGAFQWSA-N 1 1 307.350 1.260 20 5 DDBDMO Cc1cccc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456229012 421129036 /nfs/dbraw/zinc/12/90/36/421129036.db2.gz RJVQLRLXIUTFIF-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456229012 421129038 /nfs/dbraw/zinc/12/90/38/421129038.db2.gz RJVQLRLXIUTFIF-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602007 421216431 /nfs/dbraw/zinc/21/64/31/421216431.db2.gz ZJGHGKZBZXLEQO-CYBMUJFWSA-N 1 1 309.366 1.862 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000561084002 421305496 /nfs/dbraw/zinc/30/54/96/421305496.db2.gz XMRPGORDHCCTPW-UHFFFAOYSA-N 1 1 320.393 1.855 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000524775178 421270093 /nfs/dbraw/zinc/27/00/93/421270093.db2.gz UOMAYEATFSEXHI-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649904 421443127 /nfs/dbraw/zinc/44/31/27/421443127.db2.gz OCLZXUWIPLSZRH-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649904 421443129 /nfs/dbraw/zinc/44/31/29/421443129.db2.gz OCLZXUWIPLSZRH-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514649904 421443134 /nfs/dbraw/zinc/44/31/34/421443134.db2.gz OCLZXUWIPLSZRH-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000563547528 421520154 /nfs/dbraw/zinc/52/01/54/421520154.db2.gz VNYFWYKXLQCKLU-GHMZBOCLSA-N 1 1 321.381 1.586 20 5 DDBDMO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000570474795 421647348 /nfs/dbraw/zinc/64/73/48/421647348.db2.gz BTTQFYAGXNHYES-CQSZACIVSA-N 1 1 319.361 1.187 20 5 DDBDMO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000570474795 421647352 /nfs/dbraw/zinc/64/73/52/421647352.db2.gz BTTQFYAGXNHYES-CQSZACIVSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000555762498 421690271 /nfs/dbraw/zinc/69/02/71/421690271.db2.gz SKVXZIHZEGMDDH-GFCCVEGCSA-N 1 1 322.365 1.221 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000572672817 421810619 /nfs/dbraw/zinc/81/06/19/421810619.db2.gz NKAVBRHCTMFOMV-OAHLLOKOSA-N 1 1 304.350 1.548 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573932541 422034194 /nfs/dbraw/zinc/03/41/94/422034194.db2.gz LZKFOPIDQBBXBB-JTQLQIEISA-N 1 1 307.354 1.176 20 5 DDBDMO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000590694556 422322827 /nfs/dbraw/zinc/32/28/27/422322827.db2.gz PHMSXOGQHWNILY-ABAIWWIYSA-N 1 1 316.361 2.274 20 5 DDBDMO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000590694556 422322833 /nfs/dbraw/zinc/32/28/33/422322833.db2.gz PHMSXOGQHWNILY-ABAIWWIYSA-N 1 1 316.361 2.274 20 5 DDBDMO CC1=CC[N@@H+](CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342850685 271542633 /nfs/dbraw/zinc/54/26/33/271542633.db2.gz OYJMGFQDOAVMGG-UHFFFAOYSA-N 1 1 304.350 1.758 20 5 DDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000344444381 272028375 /nfs/dbraw/zinc/02/83/75/272028375.db2.gz YAEIFGITPZMRMW-CYBMUJFWSA-N 1 1 321.381 1.344 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344618703 272071988 /nfs/dbraw/zinc/07/19/88/272071988.db2.gz PSFYCCFLWSFHBT-NSHDSACASA-N 1 1 323.397 1.731 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000266730693 274118291 /nfs/dbraw/zinc/11/82/91/274118291.db2.gz NRUWUOBOVLUWIS-UHFFFAOYSA-N 1 1 317.349 1.664 20 5 DDBDMO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187394372 274301958 /nfs/dbraw/zinc/30/19/58/274301958.db2.gz VDXXBHKNNKMMFG-YPMHNXCESA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187394372 274301959 /nfs/dbraw/zinc/30/19/59/274301959.db2.gz VDXXBHKNNKMMFG-YPMHNXCESA-N 1 1 307.350 1.559 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000286001992 277152684 /nfs/dbraw/zinc/15/26/84/277152684.db2.gz ZAJJBUZCMFAFCU-KBPBESRZSA-N 1 1 305.334 1.140 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)[C@@H]2C1 ZINC000272188277 277178326 /nfs/dbraw/zinc/17/83/26/277178326.db2.gz LOSVBPJDZDEBNU-JOYOIKCWSA-N 1 1 303.322 1.661 20 5 DDBDMO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000114562487 277217071 /nfs/dbraw/zinc/21/70/71/277217071.db2.gz GUZOTUFOTSLHEJ-UHFFFAOYSA-N 1 1 309.366 1.174 20 5 DDBDMO COCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000114562487 277217072 /nfs/dbraw/zinc/21/70/72/277217072.db2.gz GUZOTUFOTSLHEJ-UHFFFAOYSA-N 1 1 309.366 1.174 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285240749 278267099 /nfs/dbraw/zinc/26/70/99/278267099.db2.gz YTCZNHNAMAGKDY-AXFHLTTASA-N 1 1 309.370 1.414 20 5 DDBDMO CC(C)[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487048853 280016355 /nfs/dbraw/zinc/01/63/55/280016355.db2.gz QYMHPALAQVKSDE-AWEZNQCLSA-N 1 1 306.366 1.470 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933164 281030016 /nfs/dbraw/zinc/03/00/16/281030016.db2.gz DLNGUECRMIZDCE-STQMWFEESA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933164 281030017 /nfs/dbraw/zinc/03/00/17/281030017.db2.gz DLNGUECRMIZDCE-STQMWFEESA-N 1 1 321.377 1.650 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000128326866 281307458 /nfs/dbraw/zinc/30/74/58/281307458.db2.gz XNKZMBPLNFXASI-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000128326866 281307462 /nfs/dbraw/zinc/30/74/62/281307462.db2.gz XNKZMBPLNFXASI-NSHDSACASA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354745193 306785558 /nfs/dbraw/zinc/78/55/58/306785558.db2.gz YTOGOFQHRPEAPT-LLVKDONJSA-N 1 1 322.365 1.018 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982490 300193751 /nfs/dbraw/zinc/19/37/51/300193751.db2.gz MEEQCJVGNRZGER-GWCFXTLKSA-N 1 1 304.350 1.072 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000368440215 301028232 /nfs/dbraw/zinc/02/82/32/301028232.db2.gz BCPRAQLQHRHTJP-LLVKDONJSA-N 1 1 307.306 1.971 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000377767454 302229087 /nfs/dbraw/zinc/22/90/87/302229087.db2.gz MWILFINXCYXDFK-KGLIPLIRSA-N 1 1 306.366 1.825 20 5 DDBDMO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000377963504 302257856 /nfs/dbraw/zinc/25/78/56/302257856.db2.gz UYDKLOYVNBJCGI-HZSPNIEDSA-N 1 1 305.382 1.207 20 5 DDBDMO [NH3+]CC(F)(F)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000521637587 302878246 /nfs/dbraw/zinc/87/82/46/302878246.db2.gz WOCCCSJWIOCQNE-UHFFFAOYSA-N 1 1 302.281 1.107 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000532913476 303301860 /nfs/dbraw/zinc/30/18/60/303301860.db2.gz FHWDBHZJXBSXAP-JTQLQIEISA-N 1 1 309.370 1.513 20 5 DDBDMO C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[N+](=O)[O-] ZINC000367592593 307099194 /nfs/dbraw/zinc/09/91/94/307099194.db2.gz FETHYIYKHFZQKC-GASCZTMLSA-N 1 1 305.378 1.890 20 5 DDBDMO C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[N+](=O)[O-] ZINC000367592593 307099195 /nfs/dbraw/zinc/09/91/95/307099195.db2.gz FETHYIYKHFZQKC-GASCZTMLSA-N 1 1 305.378 1.890 20 5 DDBDMO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[N+](=O)[O-] ZINC000367592593 307099196 /nfs/dbraw/zinc/09/91/96/307099196.db2.gz FETHYIYKHFZQKC-GASCZTMLSA-N 1 1 305.378 1.890 20 5 DDBDMO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1[N+](=O)[O-] ZINC000367592593 307099197 /nfs/dbraw/zinc/09/91/97/307099197.db2.gz FETHYIYKHFZQKC-GASCZTMLSA-N 1 1 305.378 1.890 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000372614289 307172459 /nfs/dbraw/zinc/17/24/59/307172459.db2.gz SOSIMKCGHGWBOV-HNNXBMFYSA-N 1 1 305.334 1.712 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000372658336 307172691 /nfs/dbraw/zinc/17/26/91/307172691.db2.gz YAFABQJYWLYJIZ-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000372658336 307172692 /nfs/dbraw/zinc/17/26/92/307172692.db2.gz YAFABQJYWLYJIZ-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000372658336 307172693 /nfs/dbraw/zinc/17/26/93/307172693.db2.gz YAFABQJYWLYJIZ-RRFJBIMHSA-N 1 1 303.362 1.432 20 5 DDBDMO CCOCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105549 307178731 /nfs/dbraw/zinc/17/87/31/307178731.db2.gz AMDVVFHJZAYRGF-GXTWGEPZSA-N 1 1 312.370 1.216 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373907800 307198052 /nfs/dbraw/zinc/19/80/52/307198052.db2.gz GQMQEIDHNYGMMN-GOEBONIOSA-N 1 1 322.361 1.181 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000374297896 307205103 /nfs/dbraw/zinc/20/51/03/307205103.db2.gz SDQAQDNASQPLST-SNVBAGLBSA-N 1 1 313.321 1.365 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268383 307241993 /nfs/dbraw/zinc/24/19/93/307241993.db2.gz VKHIKEGCHHZLGN-FZMZJTMJSA-N 1 1 308.338 1.066 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412036303 307298618 /nfs/dbraw/zinc/29/86/18/307298618.db2.gz MHNDMTOVROIHGC-CYZMBNFOSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000412036303 307298619 /nfs/dbraw/zinc/29/86/19/307298619.db2.gz MHNDMTOVROIHGC-CYZMBNFOSA-N 1 1 321.377 1.933 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875512 490371924 /nfs/dbraw/zinc/37/19/24/490371924.db2.gz QIPYMBLZMCVMNE-ABAIWWIYSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875512 490371932 /nfs/dbraw/zinc/37/19/32/490371932.db2.gz QIPYMBLZMCVMNE-ABAIWWIYSA-N 1 1 307.350 1.484 20 5 DDBDMO Cc1c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419331794 533846765 /nfs/dbraw/zinc/84/67/65/533846765.db2.gz RUTJOXPZBVJYDN-OLZOCXBDSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452055517 534189867 /nfs/dbraw/zinc/18/98/67/534189867.db2.gz UMDLCUOOHJWRKQ-ZLTXHLNPSA-N 1 1 320.393 1.520 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000414564656 527502232 /nfs/dbraw/zinc/50/22/32/527502232.db2.gz XVSSKKCMRHFVMZ-ZFYLUOEISA-N 1 1 306.362 1.673 20 5 DDBDMO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000337319383 535314839 /nfs/dbraw/zinc/31/48/39/535314839.db2.gz AFAUSKIRLHWFOS-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000337319383 535314844 /nfs/dbraw/zinc/31/48/44/535314844.db2.gz AFAUSKIRLHWFOS-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119755856 696685238 /nfs/dbraw/zinc/68/52/38/696685238.db2.gz HAWKSSPNVJNQFF-UHFFFAOYSA-N 1 1 321.424 1.667 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCOCC1 ZINC000748495572 700122038 /nfs/dbraw/zinc/12/20/38/700122038.db2.gz SXWCNHGSDDHKSX-DAXSKMNVSA-N 1 1 320.345 1.874 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000193313158 697659159 /nfs/dbraw/zinc/65/91/59/697659159.db2.gz HSRCVAPFFOTLPB-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000777555472 698201347 /nfs/dbraw/zinc/20/13/47/698201347.db2.gz BMYLPMCCXQGGIS-HNNXBMFYSA-N 1 1 313.317 1.345 20 5 DDBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C2 ZINC000777555472 698201349 /nfs/dbraw/zinc/20/13/49/698201349.db2.gz BMYLPMCCXQGGIS-HNNXBMFYSA-N 1 1 313.317 1.345 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778275935 698255576 /nfs/dbraw/zinc/25/55/76/698255576.db2.gz PUNVBKXZXPYOAW-UHFFFAOYSA-N 1 1 323.378 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(NC(=S)NCC[N@H+]2CCCOCC2)cc1 ZINC000782210858 698696626 /nfs/dbraw/zinc/69/66/26/698696626.db2.gz UQIJRBHCSJSVMT-UHFFFAOYSA-N 1 1 324.406 1.604 20 5 DDBDMO COc1cc(C[NH2+]C[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000788975748 699352436 /nfs/dbraw/zinc/35/24/36/699352436.db2.gz PZDBZHNQVAQMTR-NSHDSACASA-N 1 1 324.255 1.625 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000742242477 699869898 /nfs/dbraw/zinc/86/98/98/699869898.db2.gz WDQZKQIIZDCWIT-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1cccc2c1CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000743846580 699928654 /nfs/dbraw/zinc/92/86/54/699928654.db2.gz OCBGFFJQNBBRGW-HNNXBMFYSA-N 1 1 316.361 1.519 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802141599 700372158 /nfs/dbraw/zinc/37/21/58/700372158.db2.gz XPUHFYDNMJHTGY-CQSZACIVSA-N 1 1 322.361 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000761077258 700840395 /nfs/dbraw/zinc/84/03/95/700840395.db2.gz NSJRNHKQSISBLY-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761077093 700840459 /nfs/dbraw/zinc/84/04/59/700840459.db2.gz MWUKMYPUXFOCSA-NWDGAFQWSA-N 1 1 306.366 1.558 20 5 DDBDMO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000767361267 701100952 /nfs/dbraw/zinc/10/09/52/701100952.db2.gz LARPATDVEMPVIN-UHFFFAOYSA-N 1 1 304.350 1.481 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H]1C[N@H+](C)CCO1 ZINC000770474561 701279504 /nfs/dbraw/zinc/27/95/04/701279504.db2.gz BLXWGIBIDQMIGU-KWQFWETISA-N 1 1 307.310 1.262 20 5 DDBDMO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000770474561 701279505 /nfs/dbraw/zinc/27/95/05/701279505.db2.gz BLXWGIBIDQMIGU-KWQFWETISA-N 1 1 307.310 1.262 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000840222262 702034073 /nfs/dbraw/zinc/03/40/73/702034073.db2.gz BYJMBODSGDPZBW-LBPRGKRZSA-N 1 1 310.354 1.599 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000811783770 702057340 /nfs/dbraw/zinc/05/73/40/702057340.db2.gz JNFXRUNLBUULPB-AWEZNQCLSA-N 1 1 313.361 1.886 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000811783770 702057345 /nfs/dbraw/zinc/05/73/45/702057345.db2.gz JNFXRUNLBUULPB-AWEZNQCLSA-N 1 1 313.361 1.886 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000841066294 702333480 /nfs/dbraw/zinc/33/34/80/702333480.db2.gz ZYVJESPAMCDDBT-GZBFAFLISA-N 1 1 301.346 1.663 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679647 702449091 /nfs/dbraw/zinc/44/90/91/702449091.db2.gz VENUOKWZJGOQBL-KGLIPLIRSA-N 1 1 307.350 1.181 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831550077 706729647 /nfs/dbraw/zinc/72/96/47/706729647.db2.gz JNXXETJKHKSAAY-CQSZACIVSA-N 1 1 305.334 1.006 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818978641 704041041 /nfs/dbraw/zinc/04/10/41/704041041.db2.gz XUUTXXOVYBHXKP-LLVKDONJSA-N 1 1 322.321 1.669 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818978641 704041042 /nfs/dbraw/zinc/04/10/42/704041042.db2.gz XUUTXXOVYBHXKP-LLVKDONJSA-N 1 1 322.321 1.669 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852498157 704063516 /nfs/dbraw/zinc/06/35/16/704063516.db2.gz ZSNVSCGAGKAOQS-MFKMUULPSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000852498157 704063518 /nfs/dbraw/zinc/06/35/18/704063518.db2.gz ZSNVSCGAGKAOQS-MFKMUULPSA-N 1 1 307.325 1.834 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701695 704102696 /nfs/dbraw/zinc/10/26/96/704102696.db2.gz DXFSUVZJJPASQZ-QMTHXVAHSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000852701695 704102697 /nfs/dbraw/zinc/10/26/97/704102697.db2.gz DXFSUVZJJPASQZ-QMTHXVAHSA-N 1 1 309.322 1.953 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853485663 704247531 /nfs/dbraw/zinc/24/75/31/704247531.db2.gz NACBTAGHYXXBGC-LBPRGKRZSA-N 1 1 309.366 1.415 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853485663 704247534 /nfs/dbraw/zinc/24/75/34/704247534.db2.gz NACBTAGHYXXBGC-LBPRGKRZSA-N 1 1 309.366 1.415 20 5 DDBDMO COc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1C ZINC000853713912 704303946 /nfs/dbraw/zinc/30/39/46/704303946.db2.gz RPVMJGZLHCNFPJ-GFCCVEGCSA-N 1 1 307.350 1.167 20 5 DDBDMO COc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1C ZINC000853713912 704303948 /nfs/dbraw/zinc/30/39/48/704303948.db2.gz RPVMJGZLHCNFPJ-GFCCVEGCSA-N 1 1 307.350 1.167 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855164307 704471905 /nfs/dbraw/zinc/47/19/05/704471905.db2.gz HZWMLGKGQDZONT-NSHDSACASA-N 1 1 306.366 1.780 20 5 DDBDMO CC[N@@H+](CCNc1nccc(C(=O)OC)c1[N+](=O)[O-])C(C)C ZINC000856728439 704535555 /nfs/dbraw/zinc/53/55/55/704535555.db2.gz SSOUGCGPUFZGBZ-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO Nc1ncc2c(n1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000857926359 704643533 /nfs/dbraw/zinc/64/35/33/704643533.db2.gz UBHPETIFHJRCIU-AWEZNQCLSA-N 1 1 315.333 1.059 20 5 DDBDMO Nc1ncc2c(n1)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000857926359 704643535 /nfs/dbraw/zinc/64/35/35/704643535.db2.gz UBHPETIFHJRCIU-AWEZNQCLSA-N 1 1 315.333 1.059 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000874823242 705182212 /nfs/dbraw/zinc/18/22/12/705182212.db2.gz GVSKQFHBATWMDZ-KBPBESRZSA-N 1 1 321.352 1.972 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823987727 705350352 /nfs/dbraw/zinc/35/03/52/705350352.db2.gz QREMFNOKEWKNCH-ONGXEEELSA-N 1 1 307.354 1.781 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000862792430 705799360 /nfs/dbraw/zinc/79/93/60/705799360.db2.gz VHPUCENWAHWFBS-GFCCVEGCSA-N 1 1 320.393 1.947 20 5 DDBDMO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000876650407 705802144 /nfs/dbraw/zinc/80/21/44/705802144.db2.gz RKKJJYZREOBJRR-AWEZNQCLSA-N 1 1 324.381 1.488 20 5 DDBDMO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322201 705900957 /nfs/dbraw/zinc/90/09/57/705900957.db2.gz POPNVOBCMPGHCR-KLPPZKSPSA-N 1 1 303.322 1.098 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000827338035 705979646 /nfs/dbraw/zinc/97/96/46/705979646.db2.gz NADCRRXYAWFPCD-SKDRFNHKSA-N 1 1 322.340 1.482 20 5 DDBDMO CCOC(=O)[C@@H](C)C1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993183 707272466 /nfs/dbraw/zinc/27/24/66/707272466.db2.gz MHTJCIKNHLKMQT-NHYWBVRUSA-N 1 1 322.361 1.759 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])n1 ZINC000877481126 706118562 /nfs/dbraw/zinc/11/85/62/706118562.db2.gz VSUMMNRUUWXCCA-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000829736424 706386122 /nfs/dbraw/zinc/38/61/22/706386122.db2.gz IKKYZFNWBMQDEL-GFCCVEGCSA-N 1 1 315.414 1.126 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000865999004 706589815 /nfs/dbraw/zinc/58/98/15/706589815.db2.gz VXIKYXUKOCTFKR-JTQLQIEISA-N 1 1 314.773 1.900 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136796 706887850 /nfs/dbraw/zinc/88/78/50/706887850.db2.gz SGDINAJZXIAXOI-OAGGEKHMSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136796 706887853 /nfs/dbraw/zinc/88/78/53/706887853.db2.gz SGDINAJZXIAXOI-OAGGEKHMSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880136796 706887856 /nfs/dbraw/zinc/88/78/56/706887856.db2.gz SGDINAJZXIAXOI-OAGGEKHMSA-N 1 1 305.378 1.797 20 5 DDBDMO Cc1nn(C[N@@H+]2CCCCCCNC(=O)CC2)c(C)c1[N+](=O)[O-] ZINC000872663245 707544473 /nfs/dbraw/zinc/54/44/73/707544473.db2.gz HYSQKLKARNCDNV-UHFFFAOYSA-N 1 1 323.397 1.748 20 5 DDBDMO Cc1nn(C[N@H+]2CCCCCCNC(=O)CC2)c(C)c1[N+](=O)[O-] ZINC000872663245 707544475 /nfs/dbraw/zinc/54/44/75/707544475.db2.gz HYSQKLKARNCDNV-UHFFFAOYSA-N 1 1 323.397 1.748 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000882481237 707651228 /nfs/dbraw/zinc/65/12/28/707651228.db2.gz AARWEMUGVOGANQ-LLVKDONJSA-N 1 1 302.334 1.900 20 5 DDBDMO C[N@@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)CCOCCO ZINC000882951963 707868686 /nfs/dbraw/zinc/86/86/86/707868686.db2.gz CYIRJADKITXTBN-UHFFFAOYSA-N 1 1 319.308 1.226 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000882959994 707874042 /nfs/dbraw/zinc/87/40/42/707874042.db2.gz WHYPWGYSSIIWOZ-JTQLQIEISA-N 1 1 319.365 1.291 20 5 DDBDMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839461966 708049391 /nfs/dbraw/zinc/04/93/91/708049391.db2.gz AFTAHLQBBVQCNW-UTUOFQBUSA-N 1 1 309.391 1.666 20 5 DDBDMO C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399069 709036648 /nfs/dbraw/zinc/03/66/48/709036648.db2.gz MBGMKGZHPLNGQO-WQGACYEGSA-N 1 1 321.377 1.270 20 5 DDBDMO C[N@@H+](CCO)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000899741982 709186333 /nfs/dbraw/zinc/18/63/33/709186333.db2.gz YGEQLCMSFLOOHF-UHFFFAOYSA-N 1 1 321.377 1.057 20 5 DDBDMO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000892112655 710374227 /nfs/dbraw/zinc/37/42/27/710374227.db2.gz UEZCKTLOXKANKH-FPMFFAJLSA-N 1 1 318.377 1.859 20 5 DDBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCOC ZINC000893055778 710547895 /nfs/dbraw/zinc/54/78/95/710547895.db2.gz HNANMVQRSRYYMZ-LBPRGKRZSA-N 1 1 311.386 1.265 20 5 DDBDMO COc1c(O)ccc(CNCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000893353720 710614104 /nfs/dbraw/zinc/61/41/04/710614104.db2.gz BPMTVAVBOSOGHR-NSHDSACASA-N 1 1 309.366 1.740 20 5 DDBDMO COc1c(O)ccc(C[NH2+]CCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000893353720 710614106 /nfs/dbraw/zinc/61/41/06/710614106.db2.gz BPMTVAVBOSOGHR-NSHDSACASA-N 1 1 309.366 1.740 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928446191 713199852 /nfs/dbraw/zinc/19/98/52/713199852.db2.gz VCVPHJQOJPNRSR-NOZJJQNGSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000928455742 713204630 /nfs/dbraw/zinc/20/46/30/713204630.db2.gz UMMYINBGMWZOOQ-GWCFXTLKSA-N 1 1 306.366 1.483 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913385147 713206598 /nfs/dbraw/zinc/20/65/98/713206598.db2.gz RFZJHNOKWRKRPD-VIFPVBQESA-N 1 1 315.732 1.955 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911475766 710814049 /nfs/dbraw/zinc/81/40/49/710814049.db2.gz ITEJLNQOXORDBP-UHFFFAOYSA-N 1 1 301.293 1.831 20 5 DDBDMO COc1cc([C@H](C)NC[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000903154148 711049790 /nfs/dbraw/zinc/04/97/90/711049790.db2.gz TVNDCMKFHJZYMU-XHDPSFHLSA-N 1 1 309.366 1.321 20 5 DDBDMO COc1cc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000903154148 711049794 /nfs/dbraw/zinc/04/97/94/711049794.db2.gz TVNDCMKFHJZYMU-XHDPSFHLSA-N 1 1 309.366 1.321 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318420 711096057 /nfs/dbraw/zinc/09/60/57/711096057.db2.gz PMQIJENKOFUFDS-HUUCEWRRSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318420 711096059 /nfs/dbraw/zinc/09/60/59/711096059.db2.gz PMQIJENKOFUFDS-HUUCEWRRSA-N 1 1 315.377 1.711 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2Cc3c[nH+]cn3C2)s1 ZINC000894996778 711356608 /nfs/dbraw/zinc/35/66/08/711356608.db2.gz QBDGEERUUOCUEB-ZETCQYMHSA-N 1 1 302.319 1.833 20 5 DDBDMO C[C@H]1[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895737551 711590928 /nfs/dbraw/zinc/59/09/28/711590928.db2.gz BJCXSFDWTZCKML-JQWIXIFHSA-N 1 1 316.361 1.951 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000895771350 711601912 /nfs/dbraw/zinc/60/19/12/711601912.db2.gz YXDHAYSALHHMNH-NSHDSACASA-N 1 1 324.356 1.687 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000895771350 711601914 /nfs/dbraw/zinc/60/19/14/711601914.db2.gz YXDHAYSALHHMNH-NSHDSACASA-N 1 1 324.356 1.687 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC000904437673 711858228 /nfs/dbraw/zinc/85/82/28/711858228.db2.gz SGJFBPSHRIRLTQ-CJNGLKHVSA-N 1 1 315.377 1.786 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000914325477 713378825 /nfs/dbraw/zinc/37/88/25/713378825.db2.gz LECWURGBXPVETF-FZMZJTMJSA-N 1 1 306.366 1.529 20 5 DDBDMO CCOc1ccccc1C[N@@H+]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930321997 713802972 /nfs/dbraw/zinc/80/29/72/713802972.db2.gz BUABQDDBRBKQQY-CQSZACIVSA-N 1 1 307.394 1.868 20 5 DDBDMO CCOc1ccccc1C[N@H+]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930321997 713802975 /nfs/dbraw/zinc/80/29/75/713802975.db2.gz BUABQDDBRBKQQY-CQSZACIVSA-N 1 1 307.394 1.868 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000930544323 713862741 /nfs/dbraw/zinc/86/27/41/713862741.db2.gz FZPHLQURULSURK-NEPJUHHUSA-N 1 1 323.397 1.336 20 5 DDBDMO O=[N+]([O-])CCN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000930849529 713937056 /nfs/dbraw/zinc/93/70/56/713937056.db2.gz NISJLVXVZGMSAN-JKSUJKDBSA-N 1 1 305.378 1.238 20 5 DDBDMO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557440 714087695 /nfs/dbraw/zinc/08/76/95/714087695.db2.gz OEOVQLIWOIYUAL-ZYHUDNBSSA-N 1 1 309.366 1.794 20 5 DDBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557440 714087700 /nfs/dbraw/zinc/08/77/00/714087700.db2.gz OEOVQLIWOIYUAL-ZYHUDNBSSA-N 1 1 309.366 1.794 20 5 DDBDMO C[NH+](C)CC1(O)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000931484530 714108395 /nfs/dbraw/zinc/10/83/95/714108395.db2.gz PZWUNWBXQJMBQN-UHFFFAOYSA-N 1 1 323.393 1.362 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932007474 714232638 /nfs/dbraw/zinc/23/26/38/714232638.db2.gz GOUHXGZNELCSAZ-GFCCVEGCSA-N 1 1 308.334 1.668 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932262639 714294621 /nfs/dbraw/zinc/29/46/21/714294621.db2.gz OHGDIYCXSXNOQT-ZDUSSCGKSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932262639 714294622 /nfs/dbraw/zinc/29/46/22/714294622.db2.gz OHGDIYCXSXNOQT-ZDUSSCGKSA-N 1 1 304.354 1.670 20 5 DDBDMO CN(C(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000923486169 714372381 /nfs/dbraw/zinc/37/23/81/714372381.db2.gz CAVDQWMHPAMTGZ-LBPRGKRZSA-N 1 1 306.366 1.228 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000933251078 714547068 /nfs/dbraw/zinc/54/70/68/714547068.db2.gz JJVCDCSFNCSVHN-AWEZNQCLSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933251078 714547072 /nfs/dbraw/zinc/54/70/72/714547072.db2.gz JJVCDCSFNCSVHN-AWEZNQCLSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933251078 714547074 /nfs/dbraw/zinc/54/70/74/714547074.db2.gz JJVCDCSFNCSVHN-AWEZNQCLSA-N 1 1 309.414 1.762 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933735323 714658554 /nfs/dbraw/zinc/65/85/54/714658554.db2.gz HFXIGNMSBPRNSW-KBMXLJTQSA-N 1 1 305.378 1.512 20 5 DDBDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271841 714782691 /nfs/dbraw/zinc/78/26/91/714782691.db2.gz HFENQDOAEIMLST-JKSUJKDBSA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000934889914 714925051 /nfs/dbraw/zinc/92/50/51/714925051.db2.gz KUJIQDSEROSXDY-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000940107308 716626743 /nfs/dbraw/zinc/62/67/43/716626743.db2.gz HRVPDUZABALRFE-CHWSQXEVSA-N 1 1 322.365 1.119 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000351508210 719250253 /nfs/dbraw/zinc/25/02/53/719250253.db2.gz GKEJBALPRLSIPC-QWRGUYRKSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000351508210 719250257 /nfs/dbraw/zinc/25/02/57/719250257.db2.gz GKEJBALPRLSIPC-QWRGUYRKSA-N 1 1 322.365 1.695 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001184364205 744020010 /nfs/dbraw/zinc/02/00/10/744020010.db2.gz OOJSGTIPHGIZPV-VFGVELGVSA-N 1 1 320.389 1.921 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ncc[nH]1 ZINC001031658771 747331709 /nfs/dbraw/zinc/33/17/09/747331709.db2.gz WLVYRSWLGPBEMH-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685216 747577153 /nfs/dbraw/zinc/57/71/53/747577153.db2.gz HZUCEWJFBCCKJK-LSDHHAIUSA-N 1 1 321.377 1.790 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c(Cl)c1 ZINC001198752037 747598983 /nfs/dbraw/zinc/59/89/83/747598983.db2.gz HZEKDJBMNMFTRD-CMPLNLGQSA-N 1 1 314.769 1.671 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001127650355 748031840 /nfs/dbraw/zinc/03/18/40/748031840.db2.gz YZJKKXBNYPDLJW-UHFFFAOYSA-N 1 1 304.310 1.199 20 5 DDBDMO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429649 749587871 /nfs/dbraw/zinc/58/78/71/749587871.db2.gz QXCDLQHHXZEZQV-TZMCWYRMSA-N 1 1 322.365 1.037 20 5 DDBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010274 762177976 /nfs/dbraw/zinc/17/79/76/762177976.db2.gz CCIKQPDPOMNBPE-IOASZLSFSA-N 1 1 315.373 1.945 20 5 DDBDMO CCNC(=O)CO[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039940 762193590 /nfs/dbraw/zinc/19/35/90/762193590.db2.gz WAXJDACLXJLFCZ-MELADBBJSA-N 1 1 313.398 1.049 20 5 DDBDMO COc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054469 762209498 /nfs/dbraw/zinc/20/94/98/762209498.db2.gz MEGADDRCOXJBCA-KCQAQPDRSA-N 1 1 321.377 1.989 20 5 DDBDMO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138982 760612863 /nfs/dbraw/zinc/61/28/63/760612863.db2.gz KZZLGVFRTIMCRF-KBUPBQIOSA-N 1 1 321.352 1.536 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334409 766256531 /nfs/dbraw/zinc/25/65/31/766256531.db2.gz DGUXSSZQEXHVRR-GHJWDPDVSA-N 1 1 324.377 1.210 20 5 DDBDMO COc1ccc(C[C@H](C)N2C[C@@H]3C[C@H]2C[N@H+]3C)c([N+](=O)[O-])c1 ZINC001170354414 766260290 /nfs/dbraw/zinc/26/02/90/766260290.db2.gz KWEOFSBBEJTLCJ-UBHSHLNASA-N 1 1 305.378 1.923 20 5 DDBDMO CCC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001096259772 768799318 /nfs/dbraw/zinc/79/93/18/768799318.db2.gz JDMZWRQGEZKLCT-UHFFFAOYSA-N 1 1 320.393 1.551 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001170898518 771897976 /nfs/dbraw/zinc/89/79/76/771897976.db2.gz CTTRMNZXDOHFKW-QMMMGPOBSA-N 1 1 304.148 1.188 20 5 DDBDMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001100546784 776292798 /nfs/dbraw/zinc/29/27/98/776292798.db2.gz QWRXLGQCESAPEZ-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450387 840211055 /nfs/dbraw/zinc/21/10/55/840211055.db2.gz VNBSOSNITLXKSA-ZIAGYGMSSA-N 1 1 309.341 1.429 20 5 DDBDMO CC(C)OCC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001268703441 840690667 /nfs/dbraw/zinc/69/06/67/840690667.db2.gz MHVCPTZSSCFOGN-UHFFFAOYSA-N 1 1 321.377 1.568 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@@H]2CCNC(=O)C2)ncc1[N+](=O)[O-] ZINC001154940071 861588711 /nfs/dbraw/zinc/58/87/11/861588711.db2.gz LFRQGHVFDLXTIR-DUMNWFOQSA-N 1 1 319.365 1.460 20 5 DDBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001319967095 852178228 /nfs/dbraw/zinc/17/82/28/852178228.db2.gz VPMPFLRWMRYZCW-UHFFFAOYSA-N 1 1 301.293 1.750 20 5 DDBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001319967095 852178230 /nfs/dbraw/zinc/17/82/30/852178230.db2.gz VPMPFLRWMRYZCW-UHFFFAOYSA-N 1 1 301.293 1.750 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875288 860909193 /nfs/dbraw/zinc/90/91/93/860909193.db2.gz UILNHUPTGUHFSQ-CVEARBPZSA-N 1 1 308.378 1.969 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986733 881624929 /nfs/dbraw/zinc/62/49/29/881624929.db2.gz JTOYNSIIANSEKB-CQSZACIVSA-N 1 1 308.334 1.749 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCc2cccnn2)ncc1[N+](=O)[O-] ZINC001156603498 863180801 /nfs/dbraw/zinc/18/08/01/863180801.db2.gz KOEKGLKFTYJDPS-FNORWQNLSA-N 1 1 300.322 1.924 20 5 DDBDMO O=c1cc[nH]c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC001225666765 881966538 /nfs/dbraw/zinc/96/65/38/881966538.db2.gz MDGZHQSJZFTQLE-HAQNSBGRSA-N 1 1 323.349 1.718 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCCn1cc[nH+]c1C ZINC001163920083 868792750 /nfs/dbraw/zinc/79/27/50/868792750.db2.gz QTNLKCVSKJUIKM-UHFFFAOYSA-N 1 1 319.321 1.702 20 5 DDBDMO Cc1[nH]c(=O)nc(O[C@H](C)C[N+](C)(C)C)c1Br ZINC001226787635 882653324 /nfs/dbraw/zinc/65/33/24/882653324.db2.gz JURVNNNIIJOBKO-SSDOTTSWSA-O 1 1 305.196 1.727 20 5 DDBDMO CC(C)(CCC(=O)OC[C@@H]1CC[N@H+]1C1CCOCC1)[N+](=O)[O-] ZINC001345667588 873470448 /nfs/dbraw/zinc/47/04/48/873470448.db2.gz ZNGWXXBCZRJNRW-ZDUSSCGKSA-N 1 1 314.382 1.618 20 5 DDBDMO COc1cccc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001223812898 881107150 /nfs/dbraw/zinc/10/71/50/881107150.db2.gz RLUISUQMTHJRFZ-NJZAAPMLSA-N 1 1 320.345 1.924 20 5 DDBDMO O=c1[nH]c(C2CC2)nc(OC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001228602398 883569850 /nfs/dbraw/zinc/56/98/50/883569850.db2.gz ARWFDDRELVOVCR-UHFFFAOYSA-N 1 1 320.349 1.973 20 5 DDBDMO Cc1cc2[nH]c(O[C@H](C)C[NH+]3CCOCC3)nc2cc1[N+](=O)[O-] ZINC001228676311 883610213 /nfs/dbraw/zinc/61/02/13/883610213.db2.gz ZIZVYUDURMVQCT-LLVKDONJSA-N 1 1 320.349 1.879 20 5 DDBDMO CSCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001233639244 887179621 /nfs/dbraw/zinc/17/96/21/887179621.db2.gz CQDOUOZLEVMUQR-UHFFFAOYSA-N 1 1 311.407 1.896 20 5 DDBDMO N[C@@]12CC[C@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865058 892954672 /nfs/dbraw/zinc/95/46/72/892954672.db2.gz XVZNMKRVJWRGNR-SUMWQHHRSA-N 1 1 316.405 1.987 20 5 DDBDMO N[C@@]12CC[C@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865058 892954687 /nfs/dbraw/zinc/95/46/87/892954687.db2.gz XVZNMKRVJWRGNR-SUMWQHHRSA-N 1 1 316.405 1.987 20 5 DDBDMO O=C(NCCC[N@@H+](Cc1ccns1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265161713 901647637 /nfs/dbraw/zinc/64/76/37/901647637.db2.gz YFRYRDDFFGQROE-CHWSQXEVSA-N 1 1 324.406 1.279 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000451935505 231240037 /nfs/dbraw/zinc/24/00/37/231240037.db2.gz WEYLLFFOUADFER-HNNXBMFYSA-N 1 1 310.350 1.304 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260992 529465177 /nfs/dbraw/zinc/46/51/77/529465177.db2.gz PYIDFOUHGSIRQS-MNOVXSKESA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260992 529465178 /nfs/dbraw/zinc/46/51/78/529465178.db2.gz PYIDFOUHGSIRQS-MNOVXSKESA-N 1 1 323.397 1.825 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000444260992 529465180 /nfs/dbraw/zinc/46/51/80/529465180.db2.gz PYIDFOUHGSIRQS-MNOVXSKESA-N 1 1 323.397 1.825 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248529 529481418 /nfs/dbraw/zinc/48/14/18/529481418.db2.gz DEGIQWNYCRFFRP-IVMMDQJWSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452064916 231286573 /nfs/dbraw/zinc/28/65/73/231286573.db2.gz GVJCZNSNDVTOCR-SMDDNHRTSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000495209184 529575060 /nfs/dbraw/zinc/57/50/60/529575060.db2.gz APFPIHFKAFOCKW-SWLSCSKDSA-N 1 1 310.350 1.181 20 5 DDBDMO CO[C@]1(C(F)(F)F)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000614925179 362081454 /nfs/dbraw/zinc/08/14/54/362081454.db2.gz VZFKFDJGOIWRFF-LLVKDONJSA-N 1 1 322.287 1.835 20 5 DDBDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000614925179 362081460 /nfs/dbraw/zinc/08/14/60/362081460.db2.gz VZFKFDJGOIWRFF-LLVKDONJSA-N 1 1 322.287 1.835 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551565 185302714 /nfs/dbraw/zinc/30/27/14/185302714.db2.gz OZQOCNDWGACBQT-CQSZACIVSA-N 1 1 322.409 1.420 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000283128316 282278705 /nfs/dbraw/zinc/27/87/05/282278705.db2.gz ZKVWLNZWGPGHJT-UHFFFAOYSA-N 1 1 324.356 1.578 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425061036 529821857 /nfs/dbraw/zinc/82/18/57/529821857.db2.gz XNIANAIKDMJGLR-SWLSCSKDSA-N 1 1 321.352 1.829 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425061405 529822675 /nfs/dbraw/zinc/82/26/75/529822675.db2.gz ZBPLUXARQNUZAL-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000305806503 529984265 /nfs/dbraw/zinc/98/42/65/529984265.db2.gz KCGGJXJDSFVEFN-ZFWWWQNUSA-N 1 1 321.377 1.677 20 5 DDBDMO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291143152 282353019 /nfs/dbraw/zinc/35/30/19/282353019.db2.gz OEZIKIHISYYORV-ZACCUICWSA-N 1 1 319.365 1.150 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C ZINC000330790360 232070635 /nfs/dbraw/zinc/07/06/35/232070635.db2.gz AOGWGFBYFQORTF-VHSXEESVSA-N 1 1 307.354 1.127 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330850688 232112287 /nfs/dbraw/zinc/11/22/87/232112287.db2.gz PQGRTNZXEBMZMW-JTQLQIEISA-N 1 1 311.769 1.953 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330850688 232112291 /nfs/dbraw/zinc/11/22/91/232112291.db2.gz PQGRTNZXEBMZMW-JTQLQIEISA-N 1 1 311.769 1.953 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000272616692 210015786 /nfs/dbraw/zinc/01/57/86/210015786.db2.gz LHZIWVGJOXKKOY-GWCFXTLKSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138649371 186018322 /nfs/dbraw/zinc/01/83/22/186018322.db2.gz ARJHYFJUWAIJNK-OUAUKWLOSA-N 1 1 309.370 1.414 20 5 DDBDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138649371 186018324 /nfs/dbraw/zinc/01/83/24/186018324.db2.gz ARJHYFJUWAIJNK-OUAUKWLOSA-N 1 1 309.370 1.414 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000138649371 186018325 /nfs/dbraw/zinc/01/83/25/186018325.db2.gz ARJHYFJUWAIJNK-OUAUKWLOSA-N 1 1 309.370 1.414 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H](C)O ZINC000159546683 186126639 /nfs/dbraw/zinc/12/66/39/186126639.db2.gz DMASRMZUCHSRBC-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000159744699 186139253 /nfs/dbraw/zinc/13/92/53/186139253.db2.gz YPFTXDLGCOCICW-GFCCVEGCSA-N 1 1 307.350 1.257 20 5 DDBDMO COc1ccc(NC(=O)CC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000026159751 352206038 /nfs/dbraw/zinc/20/60/38/352206038.db2.gz FKWWTHVYRRFLQM-UHFFFAOYSA-N 1 1 309.322 1.264 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000041886259 352317593 /nfs/dbraw/zinc/31/75/93/352317593.db2.gz ORSGZGVQTWBHPD-NSHDSACASA-N 1 1 323.349 1.389 20 5 DDBDMO CCOC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000055058542 352713529 /nfs/dbraw/zinc/71/35/29/352713529.db2.gz VMIAQSXPYNFXFJ-UHFFFAOYSA-N 1 1 308.338 1.065 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069425216 353160965 /nfs/dbraw/zinc/16/09/65/353160965.db2.gz IMPSTBZNMGARGM-UHFFFAOYSA-N 1 1 310.354 1.225 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000069528144 353164829 /nfs/dbraw/zinc/16/48/29/353164829.db2.gz MXZQHBIWKKQHDJ-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000073000319 353231463 /nfs/dbraw/zinc/23/14/63/353231463.db2.gz JIBQCRMLVQKSCB-AWEZNQCLSA-N 1 1 321.425 1.982 20 5 DDBDMO Cc1cc(N2CC[NH+](CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074773542 353330280 /nfs/dbraw/zinc/33/02/80/353330280.db2.gz GEADOSUFOONTEP-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000174511728 198344064 /nfs/dbraw/zinc/34/40/64/198344064.db2.gz MXGYABOORIPLKP-ZDUSSCGKSA-N 1 1 320.393 1.807 20 5 DDBDMO CCCC[N@@H+](CCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182130309 199390913 /nfs/dbraw/zinc/39/09/13/199390913.db2.gz APVNEQSGQYJOSH-UHFFFAOYSA-N 1 1 309.366 1.678 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000076967092 353445799 /nfs/dbraw/zinc/44/57/99/353445799.db2.gz BDBJQZKOBMENBA-UHFFFAOYSA-N 1 1 310.329 1.530 20 5 DDBDMO Cc1ccccc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174810107 198388664 /nfs/dbraw/zinc/38/86/64/198388664.db2.gz DRECVKLLIXIWQO-UHFFFAOYSA-N 1 1 315.377 1.922 20 5 DDBDMO Cc1cnc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000078632060 353526251 /nfs/dbraw/zinc/52/62/51/353526251.db2.gz AAFNLQFZZPJSRD-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[C@@H]1O ZINC000080466985 353609370 /nfs/dbraw/zinc/60/93/70/353609370.db2.gz MJJOEPKTTUQPIO-ZFWWWQNUSA-N 1 1 319.361 1.329 20 5 DDBDMO CCc1nn(C)c(N(C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000091670030 353833655 /nfs/dbraw/zinc/83/36/55/353833655.db2.gz QTYXUZFLPCBJNM-UHFFFAOYSA-N 1 1 306.370 1.922 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090526535 353794958 /nfs/dbraw/zinc/79/49/58/353794958.db2.gz VSPWEGBYSJDDKX-CYBMUJFWSA-N 1 1 323.393 1.772 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092612742 353863306 /nfs/dbraw/zinc/86/33/06/353863306.db2.gz LHWMIYAVXDYZCA-ZDUSSCGKSA-N 1 1 321.425 1.984 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1C ZINC000164712103 354248019 /nfs/dbraw/zinc/24/80/19/354248019.db2.gz FENDGUFXEHEHSD-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C ZINC000164712103 354248021 /nfs/dbraw/zinc/24/80/21/354248021.db2.gz FENDGUFXEHEHSD-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067578 354898688 /nfs/dbraw/zinc/89/86/88/354898688.db2.gz AADFNHOZZAZWGH-SNVBAGLBSA-N 1 1 317.305 1.400 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587224640 354881988 /nfs/dbraw/zinc/88/19/88/354881988.db2.gz VKJPLZDNZVKUQO-NSHDSACASA-N 1 1 308.382 1.956 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000588810198 354938721 /nfs/dbraw/zinc/93/87/21/354938721.db2.gz WOZXAGDNWDCBAN-ZDUSSCGKSA-N 1 1 323.397 1.421 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000593479730 355898010 /nfs/dbraw/zinc/89/80/10/355898010.db2.gz IHEBSOLSZUOCDS-UHFFFAOYSA-N 1 1 309.370 1.479 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594056824 356101976 /nfs/dbraw/zinc/10/19/76/356101976.db2.gz ZDMUANCVQLISCI-JTQLQIEISA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000594056824 356101979 /nfs/dbraw/zinc/10/19/79/356101979.db2.gz ZDMUANCVQLISCI-JTQLQIEISA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H](O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063065 356103727 /nfs/dbraw/zinc/10/37/27/356103727.db2.gz IGXQALUFLNGGLL-AAEUAGOBSA-N 1 1 310.350 1.180 20 5 DDBDMO COc1ccc(OCC[N@@H+](C[C@H](C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000594066321 356103860 /nfs/dbraw/zinc/10/38/60/356103860.db2.gz VPGMSRBSAMKBOS-NSHDSACASA-N 1 1 310.350 1.827 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594614694 356266880 /nfs/dbraw/zinc/26/68/80/356266880.db2.gz ZAISAYMHTCYTDF-ACYLFWIKSA-N 1 1 303.362 1.359 20 5 DDBDMO Cc1noc([C@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595295383 356438310 /nfs/dbraw/zinc/43/83/10/356438310.db2.gz KZWNHQAUIJHWSV-JTQLQIEISA-N 1 1 307.310 1.962 20 5 DDBDMO Cc1noc([C@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595295383 356438314 /nfs/dbraw/zinc/43/83/14/356438314.db2.gz KZWNHQAUIJHWSV-JTQLQIEISA-N 1 1 307.310 1.962 20 5 DDBDMO O=C1C[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521968 356531785 /nfs/dbraw/zinc/53/17/85/356531785.db2.gz HHNSATOMPDZWQN-JSGCOSHPSA-N 1 1 303.362 1.910 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000081579880 192295686 /nfs/dbraw/zinc/29/56/86/192295686.db2.gz SWCXIPBGAUJXEB-GFCCVEGCSA-N 1 1 309.366 1.678 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663086 356598709 /nfs/dbraw/zinc/59/87/09/356598709.db2.gz QXDWVMWWJTWTOY-INIZCTEOSA-N 1 1 324.377 1.837 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CCO ZINC000595706888 356617369 /nfs/dbraw/zinc/61/73/69/356617369.db2.gz YEYWJSSLLYJQPZ-TZMCWYRMSA-N 1 1 309.366 1.239 20 5 DDBDMO CN(C(=O)C[N@H+](C)CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595750934 356636033 /nfs/dbraw/zinc/63/60/33/356636033.db2.gz DELVDTSUQJHCIC-UHFFFAOYSA-N 1 1 319.361 1.836 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595750934 356636037 /nfs/dbraw/zinc/63/60/37/356636037.db2.gz DELVDTSUQJHCIC-UHFFFAOYSA-N 1 1 319.361 1.836 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595766815 356644140 /nfs/dbraw/zinc/64/41/40/356644140.db2.gz RCGOOCFTOXKNDC-SMDDNHRTSA-N 1 1 307.350 1.403 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595758705 356640933 /nfs/dbraw/zinc/64/09/33/356640933.db2.gz UGSMPSZZYIQOAF-MQIPJXDCSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595758705 356640937 /nfs/dbraw/zinc/64/09/37/356640937.db2.gz UGSMPSZZYIQOAF-MQIPJXDCSA-N 1 1 319.361 1.687 20 5 DDBDMO NC(=O)c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596081869 356766115 /nfs/dbraw/zinc/76/61/15/356766115.db2.gz AXYKFFQPWVOZEN-NEPJUHHUSA-N 1 1 304.350 1.732 20 5 DDBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)CC2 ZINC000596183044 356805179 /nfs/dbraw/zinc/80/51/79/356805179.db2.gz WMGGSRKCLGFNML-UHFFFAOYSA-N 1 1 318.377 1.758 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123074 356781373 /nfs/dbraw/zinc/78/13/73/356781373.db2.gz MJUZAAZTHXYMEL-LLVKDONJSA-N 1 1 321.381 1.276 20 5 DDBDMO C[NH+]1CCC(N2CC[C@@H](Nc3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596123074 356781377 /nfs/dbraw/zinc/78/13/77/356781377.db2.gz MJUZAAZTHXYMEL-LLVKDONJSA-N 1 1 321.381 1.276 20 5 DDBDMO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000596133308 356785543 /nfs/dbraw/zinc/78/55/43/356785543.db2.gz HAVNBBFFPSPGMS-JTQLQIEISA-N 1 1 314.773 1.445 20 5 DDBDMO Cc1ccnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596537458 356910098 /nfs/dbraw/zinc/91/00/98/356910098.db2.gz GPAZZBLEXFKPBT-CYBMUJFWSA-N 1 1 306.366 1.334 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000597716682 357299876 /nfs/dbraw/zinc/29/98/76/357299876.db2.gz RREHIXCMCPSYTH-OAHLLOKOSA-N 1 1 304.350 1.548 20 5 DDBDMO COC(=O)c1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000598636459 357664668 /nfs/dbraw/zinc/66/46/68/357664668.db2.gz XQXDYCOMIAYAMM-FGWVZKOKSA-N 1 1 320.349 1.814 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000598648474 357669304 /nfs/dbraw/zinc/66/93/04/357669304.db2.gz RYJWXIMRZIMVHH-MNOVXSKESA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1CO ZINC000598648474 357669309 /nfs/dbraw/zinc/66/93/09/357669309.db2.gz RYJWXIMRZIMVHH-MNOVXSKESA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788939 283277687 /nfs/dbraw/zinc/27/76/87/283277687.db2.gz KMUVNKVVGLDORD-GFCCVEGCSA-N 1 1 318.377 1.749 20 5 DDBDMO Cc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000598716512 357701596 /nfs/dbraw/zinc/70/15/96/357701596.db2.gz KPZKFORDKYBDAS-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO CC(C)c1ncc2c(n1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000598936104 357763662 /nfs/dbraw/zinc/76/36/62/357763662.db2.gz BLNTZNMPYBIFIV-UHFFFAOYSA-N 1 1 316.365 1.763 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC000599079330 357808861 /nfs/dbraw/zinc/80/88/61/357808861.db2.gz DPNXININDUOBQN-CQSZACIVSA-N 1 1 302.334 1.654 20 5 DDBDMO COC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599142321 357828277 /nfs/dbraw/zinc/82/82/77/357828277.db2.gz UQCYPHJXQPYMID-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552355 357971293 /nfs/dbraw/zinc/97/12/93/357971293.db2.gz AKHXGIBCWUJAQU-OLZOCXBDSA-N 1 1 309.391 1.726 20 5 DDBDMO COC[C@]1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599695354 358029959 /nfs/dbraw/zinc/02/99/59/358029959.db2.gz XNQYPISQBCPATH-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@]1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599695354 358029961 /nfs/dbraw/zinc/02/99/61/358029961.db2.gz XNQYPISQBCPATH-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000599939519 358086108 /nfs/dbraw/zinc/08/61/08/358086108.db2.gz WCQSNWKSFXQUOO-STQMWFEESA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000600312438 358192285 /nfs/dbraw/zinc/19/22/85/358192285.db2.gz SFCYNPRZEYVDNE-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000180700056 199199305 /nfs/dbraw/zinc/19/93/05/199199305.db2.gz GEMOSGFIZZIGHO-ZDUSSCGKSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@H]1CO[C@H](CO)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131509 358415486 /nfs/dbraw/zinc/41/54/86/358415486.db2.gz ZMDDOVADHKCTCQ-PWSUYJOCSA-N 1 1 303.318 1.729 20 5 DDBDMO CCN1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601170752 358431495 /nfs/dbraw/zinc/43/14/95/358431495.db2.gz DNJXTUPDUZIIBZ-SNVBAGLBSA-N 1 1 300.318 1.598 20 5 DDBDMO O=[N+]([O-])c1nccn1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000601961866 358754591 /nfs/dbraw/zinc/75/45/91/358754591.db2.gz AYGQTNSNRPSYHX-AWEZNQCLSA-N 1 1 302.334 1.211 20 5 DDBDMO COc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000602078897 358802934 /nfs/dbraw/zinc/80/29/34/358802934.db2.gz BNJDYCAMEJLDJG-LBPRGKRZSA-N 1 1 307.350 1.704 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771405 359179957 /nfs/dbraw/zinc/17/99/57/359179957.db2.gz IVFRJIYGRSDWIS-JTQLQIEISA-N 1 1 310.354 1.373 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000602775668 359181774 /nfs/dbraw/zinc/18/17/74/359181774.db2.gz MAFJAVFFTSAAQN-ONGXEEELSA-N 1 1 322.287 1.487 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182117 /nfs/dbraw/zinc/18/21/17/359182117.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182137 /nfs/dbraw/zinc/18/21/37/359182137.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182140 /nfs/dbraw/zinc/18/21/40/359182140.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 1 1 309.414 1.904 20 5 DDBDMO Cn1cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602780443 359185934 /nfs/dbraw/zinc/18/59/34/359185934.db2.gz UQWWQJYEQXSABV-OAHLLOKOSA-N 1 1 316.361 1.810 20 5 DDBDMO Cn1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602780443 359185936 /nfs/dbraw/zinc/18/59/36/359185936.db2.gz UQWWQJYEQXSABV-OAHLLOKOSA-N 1 1 316.361 1.810 20 5 DDBDMO Cn1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839132 359228477 /nfs/dbraw/zinc/22/84/77/359228477.db2.gz HIYUBLTVPDNQLB-UONOGXRCSA-N 1 1 302.334 1.636 20 5 DDBDMO Cn1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602839132 359228484 /nfs/dbraw/zinc/22/84/84/359228484.db2.gz HIYUBLTVPDNQLB-UONOGXRCSA-N 1 1 302.334 1.636 20 5 DDBDMO COc1cc([N+](=O)[O-])cn(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1=O ZINC000603356601 359590238 /nfs/dbraw/zinc/59/02/38/359590238.db2.gz BNDXTKHCVDDRNA-TXEJJXNPSA-N 1 1 309.366 1.743 20 5 DDBDMO CC1(C)[C@@H](Nc2ncc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000603400425 359616562 /nfs/dbraw/zinc/61/65/62/359616562.db2.gz XBEXQESDPOCIIO-RYUDHWBXSA-N 1 1 307.354 1.296 20 5 DDBDMO Cn1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430806 359635555 /nfs/dbraw/zinc/63/55/55/359635555.db2.gz VAIXNJCVJXTNOS-MJBXVCDLSA-N 1 1 323.397 1.189 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604198286 359725816 /nfs/dbraw/zinc/72/58/16/359725816.db2.gz FLIZECBHDHLYLN-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)CO1 ZINC000610369645 360422579 /nfs/dbraw/zinc/42/25/79/360422579.db2.gz MHDHDNZYMKIAKQ-GFCCVEGCSA-N 1 1 312.370 1.042 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611271194 360685996 /nfs/dbraw/zinc/68/59/96/360685996.db2.gz UQVLJTFLXLWSBS-LBPRGKRZSA-N 1 1 321.377 1.892 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194608796 201261515 /nfs/dbraw/zinc/26/15/15/201261515.db2.gz IDIGGTWWMCVEOW-UHFFFAOYSA-N 1 1 308.338 1.391 20 5 DDBDMO Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873732 364170759 /nfs/dbraw/zinc/17/07/59/364170759.db2.gz SVMCDIPZUMDFES-AWEZNQCLSA-N 1 1 318.377 1.023 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275347801 212284122 /nfs/dbraw/zinc/28/41/22/212284122.db2.gz JAPOOYRZSSNTPK-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275347801 212284125 /nfs/dbraw/zinc/28/41/25/212284125.db2.gz JAPOOYRZSSNTPK-UWVGGRQHSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293037210 223364350 /nfs/dbraw/zinc/36/43/50/223364350.db2.gz GSXKKSCTWHLNOF-RISCZKNCSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](O)CC1 ZINC000293037210 223364352 /nfs/dbraw/zinc/36/43/52/223364352.db2.gz GSXKKSCTWHLNOF-RISCZKNCSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000275232181 212212697 /nfs/dbraw/zinc/21/26/97/212212697.db2.gz MSHWOGZZVWDSEL-UHFFFAOYSA-N 1 1 306.366 1.606 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264580223 204008123 /nfs/dbraw/zinc/00/81/23/204008123.db2.gz CHNPREUXKLHVAF-LLVKDONJSA-N 1 1 321.381 1.581 20 5 DDBDMO C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+](C)Cc1ccccc1 ZINC000264722824 204104170 /nfs/dbraw/zinc/10/41/70/204104170.db2.gz HVNODJLPFHWTBZ-LLVKDONJSA-N 1 1 316.365 1.899 20 5 DDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+](C)Cc1ccccc1 ZINC000264722826 204104741 /nfs/dbraw/zinc/10/47/41/204104741.db2.gz HVNODJLPFHWTBZ-NSHDSACASA-N 1 1 316.365 1.899 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000288243906 220040172 /nfs/dbraw/zinc/04/01/72/220040172.db2.gz DUBJXGUIZFLICF-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284495595 218052006 /nfs/dbraw/zinc/05/20/06/218052006.db2.gz CDWNOOZLBUPUDB-KBPBESRZSA-N 1 1 307.350 1.386 20 5 DDBDMO Cc1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000284719172 218148595 /nfs/dbraw/zinc/14/85/95/218148595.db2.gz UTHHUGJRDMOMSA-JKSUJKDBSA-N 1 1 305.378 1.808 20 5 DDBDMO C[N@H+](CCCS(C)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285316710 218378877 /nfs/dbraw/zinc/37/88/77/218378877.db2.gz MNPICCPSJIPUID-UHFFFAOYSA-N 1 1 300.380 1.504 20 5 DDBDMO C[N@@H+](CCCS(C)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285316710 218378878 /nfs/dbraw/zinc/37/88/78/218378878.db2.gz MNPICCPSJIPUID-UHFFFAOYSA-N 1 1 300.380 1.504 20 5 DDBDMO Cn1cc(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000352621212 285179699 /nfs/dbraw/zinc/17/96/99/285179699.db2.gz NKYMTCLCXXGSGW-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO Cn1cc(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000352621212 285179702 /nfs/dbraw/zinc/17/97/02/285179702.db2.gz NKYMTCLCXXGSGW-UHFFFAOYSA-N 1 1 302.334 1.765 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411938076 285189507 /nfs/dbraw/zinc/18/95/07/285189507.db2.gz JOCWHSLPFUPVNQ-CABCVRRESA-N 1 1 302.334 1.599 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@H]1O ZINC000352657400 285201928 /nfs/dbraw/zinc/20/19/28/285201928.db2.gz AEEYUQQXBRDGAU-QWHCGFSZSA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[C@H]1O ZINC000352657400 285201932 /nfs/dbraw/zinc/20/19/32/285201932.db2.gz AEEYUQQXBRDGAU-QWHCGFSZSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000294710133 224184055 /nfs/dbraw/zinc/18/40/55/224184055.db2.gz BLJBJPPVTQTAMZ-NFBGWVBBSA-N 1 1 307.325 1.768 20 5 DDBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864619 533529892 /nfs/dbraw/zinc/52/98/92/533529892.db2.gz ZXEVRKUAACTEAM-ZIAGYGMSSA-N 1 1 321.377 1.646 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000569862155 304383626 /nfs/dbraw/zinc/38/36/26/304383626.db2.gz ZXCZMLFGNFKVHF-HNNXBMFYSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051591596 407140893 /nfs/dbraw/zinc/14/08/93/407140893.db2.gz JFKWGBYVMVXDCS-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051591596 407140895 /nfs/dbraw/zinc/14/08/95/407140895.db2.gz JFKWGBYVMVXDCS-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@@](C)([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000089913375 407158369 /nfs/dbraw/zinc/15/83/69/407158369.db2.gz IBEPUNQTSFHRHI-OAHLLOKOSA-N 1 1 318.333 1.993 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066832926 407260096 /nfs/dbraw/zinc/26/00/96/407260096.db2.gz JOTRDEHLGFQHCT-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000066832926 407260097 /nfs/dbraw/zinc/26/00/97/407260097.db2.gz JOTRDEHLGFQHCT-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CCO)CC2)c(Cl)c1 ZINC000122817681 407311662 /nfs/dbraw/zinc/31/16/62/407311662.db2.gz IDVYEAJMWGPTDD-UHFFFAOYSA-N 1 1 300.746 1.148 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@H+](CCO)CC2)c(Cl)c1 ZINC000122817681 407311663 /nfs/dbraw/zinc/31/16/63/407311663.db2.gz IDVYEAJMWGPTDD-UHFFFAOYSA-N 1 1 300.746 1.148 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCOC1 ZINC000106885832 407364988 /nfs/dbraw/zinc/36/49/88/407364988.db2.gz NWNDGKZSCPNNEC-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CN1CC[NH+]([C@H]2CCCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000127021818 407426223 /nfs/dbraw/zinc/42/62/23/407426223.db2.gz AHVVSIIZANSAGJ-AWEZNQCLSA-N 1 1 319.409 1.596 20 5 DDBDMO Cc1cnc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000266213278 407533998 /nfs/dbraw/zinc/53/39/98/407533998.db2.gz NOYSATCSJBRHAJ-OAHLLOKOSA-N 1 1 321.425 1.982 20 5 DDBDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130150958 407659417 /nfs/dbraw/zinc/65/94/17/407659417.db2.gz PWTOXOXDNXDGBV-LSDHHAIUSA-N 1 1 319.365 1.630 20 5 DDBDMO COc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000129485258 407613818 /nfs/dbraw/zinc/61/38/18/407613818.db2.gz BZMWSHRZGIWRQJ-OAHLLOKOSA-N 1 1 310.350 1.959 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000129485258 407613825 /nfs/dbraw/zinc/61/38/25/407613825.db2.gz BZMWSHRZGIWRQJ-OAHLLOKOSA-N 1 1 310.350 1.959 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271339263 407645002 /nfs/dbraw/zinc/64/50/02/407645002.db2.gz CIUTTXXTHJYPHS-NSHDSACASA-N 1 1 309.370 1.323 20 5 DDBDMO C[C@H]([NH3+])C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000261865523 407646969 /nfs/dbraw/zinc/64/69/69/407646969.db2.gz GKUBYUNEJRGWNF-JTQLQIEISA-N 1 1 306.366 1.253 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](CO)C3)n2)cc1 ZINC000267162642 407772606 /nfs/dbraw/zinc/77/26/06/407772606.db2.gz QXPCYLXQULKKBG-NSHDSACASA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](CO)C3)n2)cc1 ZINC000267162642 407772612 /nfs/dbraw/zinc/77/26/12/407772612.db2.gz QXPCYLXQULKKBG-NSHDSACASA-N 1 1 318.333 1.849 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000132365915 407781874 /nfs/dbraw/zinc/78/18/74/407781874.db2.gz KGCCBBLIHBYOJK-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000171873518 407787397 /nfs/dbraw/zinc/78/73/97/407787397.db2.gz RLYZYNHKVCBBRR-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO Cc1nn(CCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000153760436 407897249 /nfs/dbraw/zinc/89/72/49/407897249.db2.gz MERJHNTWXQVHTB-CYBMUJFWSA-N 1 1 323.397 1.351 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135977 407907894 /nfs/dbraw/zinc/90/78/94/407907894.db2.gz CIGUGXFLKUAGKB-ZANVPECISA-N 1 1 304.350 1.390 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268248139 407967592 /nfs/dbraw/zinc/96/75/92/407967592.db2.gz WKVDDGCYFPWOSJ-ABAIWWIYSA-N 1 1 303.362 1.736 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000188411513 407940237 /nfs/dbraw/zinc/94/02/37/407940237.db2.gz UPJAPNGNJONBDC-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO Cc1nc(N2CCN(c3ccc(N)[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000268490522 408068487 /nfs/dbraw/zinc/06/84/87/408068487.db2.gz NRZPSILVUZBVOJ-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000245853952 408080313 /nfs/dbraw/zinc/08/03/13/408080313.db2.gz DGUGWEBIWSYPPM-GHMZBOCLSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269301476 408261255 /nfs/dbraw/zinc/26/12/55/408261255.db2.gz USIPWXOTPRHTAA-HZMBPMFUSA-N 1 1 307.350 1.713 20 5 DDBDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269301476 408261257 /nfs/dbraw/zinc/26/12/57/408261257.db2.gz USIPWXOTPRHTAA-HZMBPMFUSA-N 1 1 307.350 1.713 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269387388 408290464 /nfs/dbraw/zinc/29/04/64/408290464.db2.gz LCXLXWTZXXACFI-SNVBAGLBSA-N 1 1 307.354 1.362 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269387388 408290469 /nfs/dbraw/zinc/29/04/69/408290469.db2.gz LCXLXWTZXXACFI-SNVBAGLBSA-N 1 1 307.354 1.362 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000269387388 408290475 /nfs/dbraw/zinc/29/04/75/408290475.db2.gz LCXLXWTZXXACFI-SNVBAGLBSA-N 1 1 307.354 1.362 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000269390669 408290701 /nfs/dbraw/zinc/29/07/01/408290701.db2.gz RHAFSSABJVZSFO-WDEREUQCSA-N 1 1 321.381 1.798 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000183357185 408388664 /nfs/dbraw/zinc/38/86/64/408388664.db2.gz LOEFWJROOHZNNS-LBPRGKRZSA-N 1 1 313.379 1.027 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000183357185 408388670 /nfs/dbraw/zinc/38/86/70/408388670.db2.gz LOEFWJROOHZNNS-LBPRGKRZSA-N 1 1 313.379 1.027 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000183555154 408440096 /nfs/dbraw/zinc/44/00/96/408440096.db2.gz LKYWIPUPRNYJEG-QWRGUYRKSA-N 1 1 307.354 1.936 20 5 DDBDMO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000248621532 408601455 /nfs/dbraw/zinc/60/14/55/408601455.db2.gz NBERQTNIEKNCIX-JFUSQASVSA-N 1 1 315.333 1.280 20 5 DDBDMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)O ZINC000265168423 408566241 /nfs/dbraw/zinc/56/62/41/408566241.db2.gz YBDTXFIYTXPKII-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)O ZINC000265168423 408566244 /nfs/dbraw/zinc/56/62/44/408566244.db2.gz YBDTXFIYTXPKII-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192522039 408602521 /nfs/dbraw/zinc/60/25/21/408602521.db2.gz LWYLMKJRPMQRES-OKILXGFUSA-N 1 1 303.362 1.547 20 5 DDBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184337692 408593150 /nfs/dbraw/zinc/59/31/50/408593150.db2.gz XUVLXWWKATVMPM-ZDUSSCGKSA-N 1 1 320.393 1.351 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000177159468 408540404 /nfs/dbraw/zinc/54/04/04/408540404.db2.gz QULFGRXFEHRGLQ-GHMZBOCLSA-N 1 1 319.361 1.958 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000248636977 408605252 /nfs/dbraw/zinc/60/52/52/408605252.db2.gz QNRDFNIVVJHSNI-LPEHRKFASA-N 1 1 307.354 1.080 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270746075 408663849 /nfs/dbraw/zinc/66/38/49/408663849.db2.gz HFGOYJOEADUIFR-TUAOUCFPSA-N 1 1 323.397 1.425 20 5 DDBDMO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193407623 408716105 /nfs/dbraw/zinc/71/61/05/408716105.db2.gz WSQAGDWVZYWXJI-PSASIEDQSA-N 1 1 317.342 1.010 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000162955431 408747661 /nfs/dbraw/zinc/74/76/61/408747661.db2.gz FGJVMEXIJZIKML-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000162955431 408747670 /nfs/dbraw/zinc/74/76/70/408747670.db2.gz FGJVMEXIJZIKML-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000250415624 408778539 /nfs/dbraw/zinc/77/85/39/408778539.db2.gz AAESGRFUUFXDJT-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286012227 408906967 /nfs/dbraw/zinc/90/69/67/408906967.db2.gz QLWVXVHIEUYGGF-GDLCADMTSA-N 1 1 304.350 1.754 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286012227 408906969 /nfs/dbraw/zinc/90/69/69/408906969.db2.gz QLWVXVHIEUYGGF-GDLCADMTSA-N 1 1 304.350 1.754 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192684160 163231925 /nfs/dbraw/zinc/23/19/25/163231925.db2.gz ABHLWUBWOOMTGF-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277678357 408991036 /nfs/dbraw/zinc/99/10/36/408991036.db2.gz GDMNTLCUGLZLNR-MWLCHTKSSA-N 1 1 322.287 1.427 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](OCc3ccncc3)C2)n1 ZINC000287639391 409068791 /nfs/dbraw/zinc/06/87/91/409068791.db2.gz GBRKRXPOJCQONG-CQSZACIVSA-N 1 1 317.349 1.477 20 5 DDBDMO COc1cc(C[N@H+](C)CCOCCO)c([N+](=O)[O-])cc1OC ZINC000282412189 409049082 /nfs/dbraw/zinc/04/90/82/409049082.db2.gz DEJDBNZURHJXEV-UHFFFAOYSA-N 1 1 314.338 1.053 20 5 DDBDMO COc1cc(C[N@@H+](C)CCOCCO)c([N+](=O)[O-])cc1OC ZINC000282412189 409049084 /nfs/dbraw/zinc/04/90/84/409049084.db2.gz DEJDBNZURHJXEV-UHFFFAOYSA-N 1 1 314.338 1.053 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630265 409150152 /nfs/dbraw/zinc/15/01/52/409150152.db2.gz FFMLYUQYNHSFAH-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630265 409150154 /nfs/dbraw/zinc/15/01/54/409150154.db2.gz FFMLYUQYNHSFAH-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000293630265 409150156 /nfs/dbraw/zinc/15/01/56/409150156.db2.gz FFMLYUQYNHSFAH-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283449734 409158783 /nfs/dbraw/zinc/15/87/83/409158783.db2.gz DOUPHGLMWKYNHR-ZDUSSCGKSA-N 1 1 321.425 1.863 20 5 DDBDMO Cc1nn(CCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000293875246 409198789 /nfs/dbraw/zinc/19/87/89/409198789.db2.gz CFHWJBRVHWBOEC-PHIMTYICSA-N 1 1 323.397 1.349 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000294093332 409238509 /nfs/dbraw/zinc/23/85/09/409238509.db2.gz XTNYEWLVABBERZ-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000294093332 409238510 /nfs/dbraw/zinc/23/85/10/409238510.db2.gz XTNYEWLVABBERZ-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284000551 409255058 /nfs/dbraw/zinc/25/50/58/409255058.db2.gz NOIVAWXWPDWRMV-UHFFFAOYSA-N 1 1 324.356 1.872 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293895017 409201677 /nfs/dbraw/zinc/20/16/77/409201677.db2.gz NEDMRRLFWKYBON-MRXNPFEDSA-N 1 1 303.362 1.692 20 5 DDBDMO COc1cc(C[NH2+][C@H]2COC[C@@H]2OC)c([N+](=O)[O-])cc1F ZINC000290101003 409302051 /nfs/dbraw/zinc/30/20/51/409302051.db2.gz IRESZQBBHYBZLG-GWCFXTLKSA-N 1 1 300.286 1.246 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284328665 409322259 /nfs/dbraw/zinc/32/22/59/409322259.db2.gz KOYJWIPLSYPJBD-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983336 409388206 /nfs/dbraw/zinc/38/82/06/409388206.db2.gz GFNYMNOZRHTYML-NOZJJQNGSA-N 1 1 305.338 1.295 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295556200 409346491 /nfs/dbraw/zinc/34/64/91/409346491.db2.gz UAJCOELLMHADML-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000285395957 409425449 /nfs/dbraw/zinc/42/54/49/409425449.db2.gz DTTNBHHFRKATND-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000285395957 409425454 /nfs/dbraw/zinc/42/54/54/409425454.db2.gz DTTNBHHFRKATND-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(N)c([N+](=O)[O-])c1 ZINC000295309547 409427966 /nfs/dbraw/zinc/42/79/66/409427966.db2.gz VWFOYMMVOZTOJT-CQSZACIVSA-N 1 1 310.329 1.259 20 5 DDBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321308457 164044299 /nfs/dbraw/zinc/04/42/99/164044299.db2.gz CRQAVIMZPOZAPU-WCQYABFASA-N 1 1 318.377 1.876 20 5 DDBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356725186 409551112 /nfs/dbraw/zinc/55/11/12/409551112.db2.gz DSTOOFZDYMHJKQ-LLVKDONJSA-N 1 1 318.337 1.138 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348947558 409603151 /nfs/dbraw/zinc/60/31/51/409603151.db2.gz JLUPVZQASZAZAD-HNNXBMFYSA-N 1 1 321.377 1.648 20 5 DDBDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296787998 409643146 /nfs/dbraw/zinc/64/31/46/409643146.db2.gz QNVUGJWMFUCFGU-HNNXBMFYSA-N 1 1 307.350 1.892 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296787998 409643155 /nfs/dbraw/zinc/64/31/55/409643155.db2.gz QNVUGJWMFUCFGU-HNNXBMFYSA-N 1 1 307.350 1.892 20 5 DDBDMO COc1c(C(=O)NCC[N@@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000356841078 409654000 /nfs/dbraw/zinc/65/40/00/409654000.db2.gz VTWVKJYOGVIUCO-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000356843161 409655118 /nfs/dbraw/zinc/65/51/18/409655118.db2.gz GBLWLEUAMPODOX-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000342475241 409663418 /nfs/dbraw/zinc/66/34/18/409663418.db2.gz RNUSOYXKEITLHJ-DOMZBBRYSA-N 1 1 318.377 1.162 20 5 DDBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354513298 409910671 /nfs/dbraw/zinc/91/06/71/409910671.db2.gz OMMLFINIQRIZQO-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354513298 409910676 /nfs/dbraw/zinc/91/06/76/409910676.db2.gz OMMLFINIQRIZQO-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[NH+](C)[C@H](C)C2)n1 ZINC000319479763 409897997 /nfs/dbraw/zinc/89/79/97/409897997.db2.gz XAWNGFFAPXEYSW-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000357308541 409966365 /nfs/dbraw/zinc/96/63/65/409966365.db2.gz WNYSRUZWRVXNEZ-MNOVXSKESA-N 1 1 321.381 1.621 20 5 DDBDMO NC(=O)c1ccnc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000357188122 409928695 /nfs/dbraw/zinc/92/86/95/409928695.db2.gz JHNYGRFNELWWCN-UHFFFAOYSA-N 1 1 316.321 1.196 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000297843841 410019630 /nfs/dbraw/zinc/01/96/30/410019630.db2.gz KTSKDPHLKCNUDI-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000297843841 410019633 /nfs/dbraw/zinc/01/96/33/410019633.db2.gz KTSKDPHLKCNUDI-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000338706024 410034301 /nfs/dbraw/zinc/03/43/01/410034301.db2.gz RBHUHPAAFLIBKD-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000338795233 410037361 /nfs/dbraw/zinc/03/73/61/410037361.db2.gz OMAQOXAJINQAAC-QWRGUYRKSA-N 1 1 322.365 1.614 20 5 DDBDMO Cn1nccc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298195649 410128526 /nfs/dbraw/zinc/12/85/26/410128526.db2.gz XIEYDKQGPCRGNC-UHFFFAOYSA-N 1 1 316.365 1.088 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000355043806 410263893 /nfs/dbraw/zinc/26/38/93/410263893.db2.gz SNXIWNUJOQSTQZ-JQWIXIFHSA-N 1 1 324.333 1.102 20 5 DDBDMO COc1ccc(OCCN2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847590 410285520 /nfs/dbraw/zinc/28/55/20/410285520.db2.gz AQPRIDCYSKHMQV-VXGBXAGGSA-N 1 1 309.366 1.651 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343460455 410471105 /nfs/dbraw/zinc/47/11/05/410471105.db2.gz RVBOVKYMYFVITK-CHWSQXEVSA-N 1 1 320.393 1.996 20 5 DDBDMO COc1ccc(C(=O)NCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000299037738 410494065 /nfs/dbraw/zinc/49/40/65/410494065.db2.gz UCEWQXUJAOSIMA-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343609417 410568520 /nfs/dbraw/zinc/56/85/20/410568520.db2.gz SJUUGEFOEVFGRD-WCQYABFASA-N 1 1 306.366 1.877 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000352202162 410543108 /nfs/dbraw/zinc/54/31/08/410543108.db2.gz IJNCFNLYQJEVMB-LLVKDONJSA-N 1 1 318.324 1.710 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353058223 410764296 /nfs/dbraw/zinc/76/42/96/410764296.db2.gz RNEJDRRBABUGIW-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO Cc1ccnc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301851251 410813331 /nfs/dbraw/zinc/81/33/31/410813331.db2.gz FQNFOHSQIWESEZ-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccnc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301851251 410813334 /nfs/dbraw/zinc/81/33/34/410813334.db2.gz FQNFOHSQIWESEZ-QWHCGFSZSA-N 1 1 306.366 1.963 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301953350 410835543 /nfs/dbraw/zinc/83/55/43/410835543.db2.gz CRRGJRRINQBJNB-NSHDSACASA-N 1 1 304.354 1.924 20 5 DDBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679902 410874058 /nfs/dbraw/zinc/87/40/58/410874058.db2.gz YESWMKLXPYYBOU-CMPLNLGQSA-N 1 1 309.366 1.881 20 5 DDBDMO CC1CC[NH+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000360108659 411050004 /nfs/dbraw/zinc/05/00/04/411050004.db2.gz XYHZISKHQJGHOX-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353667908 411103132 /nfs/dbraw/zinc/10/31/32/411103132.db2.gz WASPELRIADEQTK-JRFBKZHLSA-N 1 1 301.346 1.961 20 5 DDBDMO C[C@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000374343423 418520681 /nfs/dbraw/zinc/52/06/81/418520681.db2.gz XXNKZUCLYUREHI-LLVKDONJSA-N 1 1 308.334 1.930 20 5 DDBDMO C[C@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000374343423 418520688 /nfs/dbraw/zinc/52/06/88/418520688.db2.gz XXNKZUCLYUREHI-LLVKDONJSA-N 1 1 308.334 1.930 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CCOC ZINC000360965899 418555802 /nfs/dbraw/zinc/55/58/02/418555802.db2.gz KJYPWFKBMXKMAR-GFCCVEGCSA-N 1 1 311.386 1.642 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000188140763 222008170 /nfs/dbraw/zinc/00/81/70/222008170.db2.gz VGEKPQOXXDSULP-UHFFFAOYSA-N 1 1 301.368 1.213 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190063966 222066174 /nfs/dbraw/zinc/06/61/74/222066174.db2.gz ZXASDKLSINTJPX-MFKMUULPSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000190063966 222066176 /nfs/dbraw/zinc/06/61/76/222066176.db2.gz ZXASDKLSINTJPX-MFKMUULPSA-N 1 1 310.350 1.815 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267857 418615554 /nfs/dbraw/zinc/61/55/54/418615554.db2.gz SKIXRKJMERQGHW-SECBINFHSA-N 1 1 306.322 1.712 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361267857 418615556 /nfs/dbraw/zinc/61/55/56/418615556.db2.gz SKIXRKJMERQGHW-SECBINFHSA-N 1 1 306.322 1.712 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000367836209 418643208 /nfs/dbraw/zinc/64/32/08/418643208.db2.gz RTQOLCUZXMFHDJ-ICCXJUOJSA-N 1 1 303.318 1.250 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293307 418620446 /nfs/dbraw/zinc/62/04/46/418620446.db2.gz WNBCFRFCADELGR-BXUZGUMPSA-N 1 1 304.350 1.546 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392284 418634000 /nfs/dbraw/zinc/63/40/00/418634000.db2.gz NNEFQRNJVKMRKE-NWDGAFQWSA-N 1 1 323.397 1.731 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392284 418634001 /nfs/dbraw/zinc/63/40/01/418634001.db2.gz NNEFQRNJVKMRKE-NWDGAFQWSA-N 1 1 323.397 1.731 20 5 DDBDMO COc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000422945646 227273029 /nfs/dbraw/zinc/27/30/29/227273029.db2.gz NOEDKENZSZCAOH-WCFLWFBJSA-N 1 1 309.366 1.445 20 5 DDBDMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000372125448 418838194 /nfs/dbraw/zinc/83/81/94/418838194.db2.gz KBCVMYVNGCFKNW-KCPJHIHWSA-N 1 1 318.377 1.388 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000417859233 419356118 /nfs/dbraw/zinc/35/61/18/419356118.db2.gz VWFCIRVJWGHFEV-SECBINFHSA-N 1 1 316.308 1.857 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915444 419367739 /nfs/dbraw/zinc/36/77/39/419367739.db2.gz HHQVQVAKCIJVMZ-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915444 419367744 /nfs/dbraw/zinc/36/77/44/419367744.db2.gz HHQVQVAKCIJVMZ-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936794 419369890 /nfs/dbraw/zinc/36/98/90/419369890.db2.gz ITWSWATYCPCXEL-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420936794 419369911 /nfs/dbraw/zinc/36/99/11/419369911.db2.gz ITWSWATYCPCXEL-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000412082296 419634838 /nfs/dbraw/zinc/63/48/38/419634838.db2.gz OZFJOAQHYKSYLW-ZDUSSCGKSA-N 1 1 321.377 1.963 20 5 DDBDMO COc1ccc(OCC[NH2+][C@@](C)(CN)C(C)C)c([N+](=O)[O-])c1 ZINC000430540691 420132243 /nfs/dbraw/zinc/13/22/43/420132243.db2.gz AIBDESYXPRUAPI-HNNXBMFYSA-N 1 1 311.382 1.945 20 5 DDBDMO COc1ccc(OCCN[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430540691 420132244 /nfs/dbraw/zinc/13/22/44/420132244.db2.gz AIBDESYXPRUAPI-HNNXBMFYSA-N 1 1 311.382 1.945 20 5 DDBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550557 420079377 /nfs/dbraw/zinc/07/93/77/420079377.db2.gz FQCURCUGPJNMRL-DGCLKSJQSA-N 1 1 309.366 1.633 20 5 DDBDMO [NH3+]C[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430928866 420211111 /nfs/dbraw/zinc/21/11/11/420211111.db2.gz VCYINTQIYAWDDN-LLVKDONJSA-N 1 1 320.349 1.173 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416301903 420319446 /nfs/dbraw/zinc/31/94/46/420319446.db2.gz VWAAVNSGLKYPQA-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416301903 420319449 /nfs/dbraw/zinc/31/94/49/420319449.db2.gz VWAAVNSGLKYPQA-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000457122574 420621485 /nfs/dbraw/zinc/62/14/85/420621485.db2.gz OUONMQHGLMTUHE-CYBMUJFWSA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000449433158 421012033 /nfs/dbraw/zinc/01/20/33/421012033.db2.gz LASCQXKMVCSYIC-BMFZPTHFSA-N 1 1 306.362 1.957 20 5 DDBDMO CNc1nc(C(=O)NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000455995661 421086086 /nfs/dbraw/zinc/08/60/86/421086086.db2.gz OGFSHFPFSFGXNN-UHFFFAOYSA-N 1 1 305.338 1.023 20 5 DDBDMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000559823906 421226686 /nfs/dbraw/zinc/22/66/86/421226686.db2.gz PAOFLCUBUYYQQA-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO Cc1ccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000548391299 421432740 /nfs/dbraw/zinc/43/27/40/421432740.db2.gz UYTRMMABDZWDPR-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000563053547 421446064 /nfs/dbraw/zinc/44/60/64/421446064.db2.gz ZAPJSTGAPBZCPQ-NSHDSACASA-N 1 1 313.379 1.140 20 5 DDBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000563053547 421446066 /nfs/dbraw/zinc/44/60/66/421446066.db2.gz ZAPJSTGAPBZCPQ-NSHDSACASA-N 1 1 313.379 1.140 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000551892049 421550932 /nfs/dbraw/zinc/55/09/32/421550932.db2.gz BTGPGJFKHKATMS-VIFPVBQESA-N 1 1 303.322 1.039 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000551270340 421529697 /nfs/dbraw/zinc/52/96/97/421529697.db2.gz GVGSPAKFHOQYOC-HNNXBMFYSA-N 1 1 314.345 1.989 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000531634629 421641191 /nfs/dbraw/zinc/64/11/91/421641191.db2.gz BSILMQBNOYCVHL-BXUZGUMPSA-N 1 1 306.366 1.792 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000571577375 421728212 /nfs/dbraw/zinc/72/82/12/421728212.db2.gz OWLBBQTYIFDNEC-QWRGUYRKSA-N 1 1 318.377 1.992 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000558756533 421824566 /nfs/dbraw/zinc/82/45/66/421824566.db2.gz GRAONBGMRCDRHV-CHWSQXEVSA-N 1 1 315.333 1.146 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000558984009 421828402 /nfs/dbraw/zinc/82/84/02/421828402.db2.gz IYARFIJJSWVZKB-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000558984009 421828404 /nfs/dbraw/zinc/82/84/04/421828404.db2.gz IYARFIJJSWVZKB-NSHDSACASA-N 1 1 322.365 1.697 20 5 DDBDMO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000540951058 421778907 /nfs/dbraw/zinc/77/89/07/421778907.db2.gz XMRPBUMPUZGQOR-LLVKDONJSA-N 1 1 307.350 1.761 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000540951058 421778910 /nfs/dbraw/zinc/77/89/10/421778910.db2.gz XMRPBUMPUZGQOR-LLVKDONJSA-N 1 1 307.350 1.761 20 5 DDBDMO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CC(C)C1 ZINC000580842305 421847241 /nfs/dbraw/zinc/84/72/41/421847241.db2.gz CGFOGAMDHSJOPF-JTQLQIEISA-N 1 1 317.349 1.428 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCNCC1([NH3+])CCC1 ZINC000342125510 271308698 /nfs/dbraw/zinc/30/86/98/271308698.db2.gz IXPFJEZFFAFXNP-UHFFFAOYSA-N 1 1 322.365 1.403 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]CC1(N)CCC1 ZINC000342125510 271308702 /nfs/dbraw/zinc/30/87/02/271308702.db2.gz IXPFJEZFFAFXNP-UHFFFAOYSA-N 1 1 322.365 1.403 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344416436 272020925 /nfs/dbraw/zinc/02/09/25/272020925.db2.gz JDYZOXRTRCPRKI-ZDUSSCGKSA-N 1 1 307.398 1.675 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000344869428 272132330 /nfs/dbraw/zinc/13/23/30/272132330.db2.gz RSIKXSZJQXYRFY-OIQJVACTSA-N 1 1 305.378 1.654 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000344869428 272132331 /nfs/dbraw/zinc/13/23/31/272132331.db2.gz RSIKXSZJQXYRFY-OIQJVACTSA-N 1 1 305.378 1.654 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CO ZINC000278292686 274267066 /nfs/dbraw/zinc/26/70/66/274267066.db2.gz CTORGVGFVFUHLJ-NXEZZACHSA-N 1 1 313.310 1.067 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)CO ZINC000278292686 274267067 /nfs/dbraw/zinc/26/70/67/274267067.db2.gz CTORGVGFVFUHLJ-NXEZZACHSA-N 1 1 313.310 1.067 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000293887613 274332032 /nfs/dbraw/zinc/33/20/32/274332032.db2.gz DFQPTWPRDICYLK-AOOOYVTPSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000293887613 274332033 /nfs/dbraw/zinc/33/20/33/274332033.db2.gz DFQPTWPRDICYLK-AOOOYVTPSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000171759015 274358349 /nfs/dbraw/zinc/35/83/49/274358349.db2.gz AAQFGLLOMFVSML-IUODEOHRSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCCO1 ZINC000171759015 274358350 /nfs/dbraw/zinc/35/83/50/274358350.db2.gz AAQFGLLOMFVSML-IUODEOHRSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000413251928 274370622 /nfs/dbraw/zinc/37/06/22/274370622.db2.gz RHANKJKIDOJFLE-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(C)C1=O ZINC000338332323 276000318 /nfs/dbraw/zinc/00/03/18/276000318.db2.gz KEZCUWPAAFYHPL-AWEZNQCLSA-N 1 1 319.361 1.607 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412116270 276069214 /nfs/dbraw/zinc/06/92/14/276069214.db2.gz KGHNTWITXCLTJL-UHFFFAOYSA-N 1 1 313.329 1.353 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000277556445 276130479 /nfs/dbraw/zinc/13/04/79/276130479.db2.gz JLICUYWVXMNVIL-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000153187170 277124720 /nfs/dbraw/zinc/12/47/20/277124720.db2.gz RCMXGAJOFAHAOL-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO COC(=O)C1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000459507031 277308631 /nfs/dbraw/zinc/30/86/31/277308631.db2.gz KIHWIGGILJTGII-UHFFFAOYSA-N 1 1 320.349 1.065 20 5 DDBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000289926243 279118306 /nfs/dbraw/zinc/11/83/06/279118306.db2.gz URGVVZBQDTVQAX-CZUORRHYSA-N 1 1 305.378 1.890 20 5 DDBDMO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O ZINC000278292710 279358094 /nfs/dbraw/zinc/35/80/94/279358094.db2.gz CTORGVGFVFUHLJ-ZJUUUORDSA-N 1 1 313.310 1.067 20 5 DDBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O ZINC000278292710 279358095 /nfs/dbraw/zinc/35/80/95/279358095.db2.gz CTORGVGFVFUHLJ-ZJUUUORDSA-N 1 1 313.310 1.067 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425853 280188252 /nfs/dbraw/zinc/18/82/52/280188252.db2.gz UJKSOZLRZBBUIA-SECBINFHSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425853 280188254 /nfs/dbraw/zinc/18/82/54/280188254.db2.gz UJKSOZLRZBBUIA-SECBINFHSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295425853 280188255 /nfs/dbraw/zinc/18/82/55/280188255.db2.gz UJKSOZLRZBBUIA-SECBINFHSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299435449 280189355 /nfs/dbraw/zinc/18/93/55/280189355.db2.gz GXEJNFBXRKWARZ-NSHDSACASA-N 1 1 323.397 1.868 20 5 DDBDMO O=C(CC[NH+]1CCN(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000126083126 281225972 /nfs/dbraw/zinc/22/59/72/281225972.db2.gz PWDLLHNRIRGGCN-UHFFFAOYSA-N 1 1 318.377 1.703 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc(F)cn3)CC2)n1 ZINC000362487427 300076511 /nfs/dbraw/zinc/07/65/11/300076511.db2.gz PAURWUBHZGQCNC-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000362972742 300191335 /nfs/dbraw/zinc/19/13/35/300191335.db2.gz ANUWQWHOPWDAFT-LXTVHRRPSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000362972742 300191338 /nfs/dbraw/zinc/19/13/38/300191338.db2.gz ANUWQWHOPWDAFT-LXTVHRRPSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000362972742 300191340 /nfs/dbraw/zinc/19/13/40/300191340.db2.gz ANUWQWHOPWDAFT-LXTVHRRPSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000362972740 300191409 /nfs/dbraw/zinc/19/14/09/300191409.db2.gz ANUWQWHOPWDAFT-CBBWQLFWSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000362972740 300191412 /nfs/dbraw/zinc/19/14/12/300191412.db2.gz ANUWQWHOPWDAFT-CBBWQLFWSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000362972740 300191413 /nfs/dbraw/zinc/19/14/13/300191413.db2.gz ANUWQWHOPWDAFT-CBBWQLFWSA-N 1 1 309.410 1.765 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000363874437 300319872 /nfs/dbraw/zinc/31/98/72/300319872.db2.gz JESNGQPTZPVPSG-NSHDSACASA-N 1 1 304.350 1.737 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000364020016 300335749 /nfs/dbraw/zinc/33/57/49/300335749.db2.gz XKXIWJXPHMZODY-RYUDHWBXSA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@H]21 ZINC000364300792 300372423 /nfs/dbraw/zinc/37/24/23/300372423.db2.gz GURFOZRAFNSNMS-NXEZZACHSA-N 1 1 307.379 1.834 20 5 DDBDMO CC(C)(C)C(=O)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000368403778 301020255 /nfs/dbraw/zinc/02/02/55/301020255.db2.gz GKWVZXFTHZVAOY-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO CC(C)(C)C(=O)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000368403778 301020257 /nfs/dbraw/zinc/02/02/57/301020257.db2.gz GKWVZXFTHZVAOY-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000368590257 301059836 /nfs/dbraw/zinc/05/98/36/301059836.db2.gz KJKJCAFWGXTFHR-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO C[NH+]1CCN(C[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000369027632 301121093 /nfs/dbraw/zinc/12/10/93/301121093.db2.gz PSHMFEFJUPZKPX-CQSZACIVSA-N 1 1 319.409 1.454 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370445626 301340805 /nfs/dbraw/zinc/34/08/05/301340805.db2.gz WHMUTWSFPFXMPS-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376048122 302031140 /nfs/dbraw/zinc/03/11/40/302031140.db2.gz PYFBGFASRWGYQX-GZBFAFLISA-N 1 1 322.361 1.445 20 5 DDBDMO C[N@@H+]1CCO[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000377120686 302145637 /nfs/dbraw/zinc/14/56/37/302145637.db2.gz PWRLTOJAHNFMDV-MRVPVSSYSA-N 1 1 309.351 1.342 20 5 DDBDMO C[N@H+]1CCO[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000377120686 302145639 /nfs/dbraw/zinc/14/56/39/302145639.db2.gz PWRLTOJAHNFMDV-MRVPVSSYSA-N 1 1 309.351 1.342 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000533129076 303311299 /nfs/dbraw/zinc/31/12/99/303311299.db2.gz WUZALUKHSIKQRN-SNVBAGLBSA-N 1 1 316.379 1.516 20 5 DDBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357624730 306899956 /nfs/dbraw/zinc/89/99/56/306899956.db2.gz BMZVOJLEUDUIBD-LBPRGKRZSA-N 1 1 307.350 1.435 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000367413794 307092630 /nfs/dbraw/zinc/09/26/30/307092630.db2.gz WHPMIYMUABUIBG-HOTGVXAUSA-N 1 1 321.377 1.035 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608741 307192039 /nfs/dbraw/zinc/19/20/39/307192039.db2.gz DTVBFYPHPNCEIB-ZMSDIMECSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608741 307192040 /nfs/dbraw/zinc/19/20/40/307192040.db2.gz DTVBFYPHPNCEIB-ZMSDIMECSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608741 307192041 /nfs/dbraw/zinc/19/20/41/307192041.db2.gz DTVBFYPHPNCEIB-ZMSDIMECSA-N 1 1 317.389 1.823 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000374052345 307201029 /nfs/dbraw/zinc/20/10/29/307201029.db2.gz CSVSXRDKPUZROZ-UHFFFAOYSA-N 1 1 304.354 1.437 20 5 DDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374052764 307201095 /nfs/dbraw/zinc/20/10/95/307201095.db2.gz FUKWUIALZQAHQX-LBPRGKRZSA-N 1 1 319.369 1.201 20 5 DDBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000374052764 307201096 /nfs/dbraw/zinc/20/10/96/307201096.db2.gz FUKWUIALZQAHQX-LBPRGKRZSA-N 1 1 319.369 1.201 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000374297894 307205068 /nfs/dbraw/zinc/20/50/68/307205068.db2.gz SDQAQDNASQPLST-JTQLQIEISA-N 1 1 313.321 1.365 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000377988180 307279836 /nfs/dbraw/zinc/27/98/36/307279836.db2.gz JNRZXPBBYFVXEG-LBPRGKRZSA-N 1 1 317.349 1.971 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000421026126 307300711 /nfs/dbraw/zinc/30/07/11/307300711.db2.gz UACIOBPBOKHCOS-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000421026126 307300712 /nfs/dbraw/zinc/30/07/12/307300712.db2.gz UACIOBPBOKHCOS-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000570120483 308159715 /nfs/dbraw/zinc/15/97/15/308159715.db2.gz SPSHJSYSRREYTL-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000570120483 308159717 /nfs/dbraw/zinc/15/97/17/308159717.db2.gz SPSHJSYSRREYTL-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000577024573 308356938 /nfs/dbraw/zinc/35/69/38/308356938.db2.gz BHVDAYRZQOXBKL-UHFFFAOYSA-N 1 1 318.337 1.988 20 5 DDBDMO COc1ccc(CN[C@H](C)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951212 533697770 /nfs/dbraw/zinc/69/77/70/533697770.db2.gz ZWAARSCEDWYBJX-YPMHNXCESA-N 1 1 309.366 1.460 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000584435354 337325566 /nfs/dbraw/zinc/32/55/66/337325566.db2.gz CYYVTTDOWYKKIZ-ZDUSSCGKSA-N 1 1 321.377 1.762 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590767510 483927275 /nfs/dbraw/zinc/92/72/75/483927275.db2.gz ILGYEBQLIKQDOU-TVQRCGJNSA-N 1 1 323.324 1.519 20 5 DDBDMO NC(=O)NC(=O)OCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000494676622 534387008 /nfs/dbraw/zinc/38/70/08/534387008.db2.gz JOAHZEDHWVUXKD-UHFFFAOYSA-N 1 1 322.321 1.148 20 5 DDBDMO NC(=O)NC(=O)OCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000494676622 534387013 /nfs/dbraw/zinc/38/70/13/534387013.db2.gz JOAHZEDHWVUXKD-UHFFFAOYSA-N 1 1 322.321 1.148 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000158413175 523728384 /nfs/dbraw/zinc/72/83/84/523728384.db2.gz RPYCQNDTIORNGG-JHJVBQTASA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)[C@@H]2C1 ZINC000158413175 523728391 /nfs/dbraw/zinc/72/83/91/523728391.db2.gz RPYCQNDTIORNGG-JHJVBQTASA-N 1 1 310.354 1.060 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491561350 534776648 /nfs/dbraw/zinc/77/66/48/534776648.db2.gz JRXKHSIFJNDSNL-ZHAHRWAOSA-N 1 1 301.346 1.961 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3C[NH+]4CCN3CC4)c2c1 ZINC000413193532 534885383 /nfs/dbraw/zinc/88/53/83/534885383.db2.gz AFHWXVVYNAWFFX-CQSZACIVSA-N 1 1 313.361 1.555 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451931296 527785633 /nfs/dbraw/zinc/78/56/33/527785633.db2.gz BJWCPJPRQMDLDO-DGCLKSJQSA-N 1 1 323.349 1.235 20 5 DDBDMO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557085 528094196 /nfs/dbraw/zinc/09/41/96/528094196.db2.gz KZOZTBGXWAXMJB-XJKSGUPXSA-N 1 1 308.378 1.893 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414557085 528094198 /nfs/dbraw/zinc/09/41/98/528094198.db2.gz KZOZTBGXWAXMJB-XJKSGUPXSA-N 1 1 308.378 1.893 20 5 DDBDMO CC(C)[C@@H]([NH3+])CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803805 528533700 /nfs/dbraw/zinc/53/37/00/528533700.db2.gz WVXWYEILVWPLLG-RISCZKNCSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@@H](N)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803805 528533703 /nfs/dbraw/zinc/53/37/03/528533703.db2.gz WVXWYEILVWPLLG-RISCZKNCSA-N 1 1 308.382 1.885 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000746475477 700026104 /nfs/dbraw/zinc/02/61/04/700026104.db2.gz MBELCOFXSJDYOA-UHFFFAOYSA-N 1 1 320.349 1.229 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)C2CC2)CC1 ZINC000985191027 697465874 /nfs/dbraw/zinc/46/58/74/697465874.db2.gz PZRKCFXHKCEWPF-UHFFFAOYSA-N 1 1 321.381 1.161 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)C2CC2)CC1 ZINC000985191027 697465877 /nfs/dbraw/zinc/46/58/77/697465877.db2.gz PZRKCFXHKCEWPF-UHFFFAOYSA-N 1 1 321.381 1.161 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583090 698121710 /nfs/dbraw/zinc/12/17/10/698121710.db2.gz ZLXFRRANJPGGTM-SCDSUCTJSA-N 1 1 307.350 1.214 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000780868436 698566304 /nfs/dbraw/zinc/56/63/04/698566304.db2.gz XFLZNWXWKOGPJT-NSHDSACASA-N 1 1 313.379 1.357 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782613671 698750519 /nfs/dbraw/zinc/75/05/19/698750519.db2.gz BLBOUXBJQLIGNH-BLLLJJGKSA-N 1 1 319.361 1.546 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000787326593 699206190 /nfs/dbraw/zinc/20/61/90/699206190.db2.gz IMCGWWXDCBCSOX-LERXQTSPSA-N 1 1 308.334 1.512 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712532592 699263382 /nfs/dbraw/zinc/26/33/82/699263382.db2.gz XKRJDHJUGJUNJY-MRVPVSSYSA-N 1 1 301.144 1.868 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712532592 699263384 /nfs/dbraw/zinc/26/33/84/699263384.db2.gz XKRJDHJUGJUNJY-MRVPVSSYSA-N 1 1 301.144 1.868 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)C(F)(F)F)OCCO2 ZINC000788975156 699352428 /nfs/dbraw/zinc/35/24/28/699352428.db2.gz FZZHBQAXYHHPOJ-NSHDSACASA-N 1 1 322.239 1.379 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000726792124 699380663 /nfs/dbraw/zinc/38/06/63/699380663.db2.gz LDEAUWVBERCXFZ-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000726792124 699380668 /nfs/dbraw/zinc/38/06/68/699380668.db2.gz LDEAUWVBERCXFZ-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000744349547 699946352 /nfs/dbraw/zinc/94/63/52/699946352.db2.gz KSXNXPVMLBDNDE-GFCCVEGCSA-N 1 1 321.377 1.746 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000751479413 700293563 /nfs/dbraw/zinc/29/35/63/700293563.db2.gz OXHGRTZMUTUKNZ-UHFFFAOYSA-N 1 1 318.333 1.884 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801930504 700356255 /nfs/dbraw/zinc/35/62/55/700356255.db2.gz CFXQASFROQVIGS-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801930504 700356261 /nfs/dbraw/zinc/35/62/61/700356261.db2.gz CFXQASFROQVIGS-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C[C@@H]1C ZINC000754079787 700481619 /nfs/dbraw/zinc/48/16/19/700481619.db2.gz LTTIGIGTZUNFBD-NSHDSACASA-N 1 1 306.366 1.485 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000758336321 700699578 /nfs/dbraw/zinc/69/95/78/700699578.db2.gz PVEFHNWFDPSHDM-GWCFXTLKSA-N 1 1 318.377 1.698 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771404458 701318590 /nfs/dbraw/zinc/31/85/90/701318590.db2.gz JCWZYHCBJGRYQF-UWVGGRQHSA-N 1 1 322.321 1.668 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000771404458 701318591 /nfs/dbraw/zinc/31/85/91/701318591.db2.gz JCWZYHCBJGRYQF-UWVGGRQHSA-N 1 1 322.321 1.668 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000839711265 701792680 /nfs/dbraw/zinc/79/26/80/701792680.db2.gz UUAWVIBJQWDLEF-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839729424 701800635 /nfs/dbraw/zinc/80/06/35/701800635.db2.gz XWHYBZIWTHZGEZ-BZUAXINKSA-N 1 1 319.405 1.924 20 5 DDBDMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729424 701800642 /nfs/dbraw/zinc/80/06/42/701800642.db2.gz XWHYBZIWTHZGEZ-BZUAXINKSA-N 1 1 319.405 1.924 20 5 DDBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729424 701800646 /nfs/dbraw/zinc/80/06/46/701800646.db2.gz XWHYBZIWTHZGEZ-BZUAXINKSA-N 1 1 319.405 1.924 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000811493551 701993914 /nfs/dbraw/zinc/99/39/14/701993914.db2.gz JAUPWXXZHQWEJD-DOMZBBRYSA-N 1 1 306.318 1.196 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000811493551 701993917 /nfs/dbraw/zinc/99/39/17/701993917.db2.gz JAUPWXXZHQWEJD-DOMZBBRYSA-N 1 1 306.318 1.196 20 5 DDBDMO Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000868362398 702084131 /nfs/dbraw/zinc/08/41/31/702084131.db2.gz WZAJWSGXFFDGOF-ZDUSSCGKSA-N 1 1 306.366 1.797 20 5 DDBDMO Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000868362397 702084451 /nfs/dbraw/zinc/08/44/51/702084451.db2.gz WZAJWSGXFFDGOF-CYBMUJFWSA-N 1 1 306.366 1.797 20 5 DDBDMO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000879332925 706652443 /nfs/dbraw/zinc/65/24/43/706652443.db2.gz NITXSJKYUGEATK-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000879332925 706652444 /nfs/dbraw/zinc/65/24/44/706652444.db2.gz NITXSJKYUGEATK-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102602 702348197 /nfs/dbraw/zinc/34/81/97/702348197.db2.gz GBYUTKNOMRFMFE-UHFFFAOYSA-N 1 1 308.672 1.964 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868927124 702389798 /nfs/dbraw/zinc/38/97/98/702389798.db2.gz HZAALTVMUHVOFI-GFCCVEGCSA-N 1 1 309.341 1.829 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120798 702823703 /nfs/dbraw/zinc/82/37/03/702823703.db2.gz CVDHYRHUPSMAMV-OICCZTGUSA-N 1 1 316.405 1.588 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921252 703351828 /nfs/dbraw/zinc/35/18/28/703351828.db2.gz REWZLMBIIVVDEW-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO CON1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846977012 703360017 /nfs/dbraw/zinc/36/00/17/703360017.db2.gz HYLPLMGNPNCGSP-UHFFFAOYSA-N 1 1 322.365 1.411 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848353162 703542267 /nfs/dbraw/zinc/54/22/67/703542267.db2.gz YIITWRMBONOIPY-QWHCGFSZSA-N 1 1 319.365 1.319 20 5 DDBDMO CC[N@H+](CCOC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474336 703554385 /nfs/dbraw/zinc/55/43/85/703554385.db2.gz BHRBRWPWVIGCMD-OAHLLOKOSA-N 1 1 321.377 1.837 20 5 DDBDMO CC[N@@H+](CCOC)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848474336 703554387 /nfs/dbraw/zinc/55/43/87/703554387.db2.gz BHRBRWPWVIGCMD-OAHLLOKOSA-N 1 1 321.377 1.837 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000848659583 703572880 /nfs/dbraw/zinc/57/28/80/703572880.db2.gz MPSLQAVJWCFHTJ-VXGBXAGGSA-N 1 1 307.350 1.879 20 5 DDBDMO CC1(C)OC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843155 703868787 /nfs/dbraw/zinc/86/87/87/703868787.db2.gz ATWWYMWDOLCOQL-DGCLKSJQSA-N 1 1 322.365 1.628 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869838 703874713 /nfs/dbraw/zinc/87/47/13/703874713.db2.gz SOEMWIHKIKLJLD-CQSZACIVSA-N 1 1 307.394 1.654 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000852500982 704064051 /nfs/dbraw/zinc/06/40/51/704064051.db2.gz HFWBVBZQQYVKLA-CVEARBPZSA-N 1 1 306.362 1.865 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000819154242 704077671 /nfs/dbraw/zinc/07/76/71/704077671.db2.gz GCTPNVCFSNXMEI-WFASDCNBSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000819321971 704107325 /nfs/dbraw/zinc/10/73/25/704107325.db2.gz OGRPXRRHNZKITM-NHYWBVRUSA-N 1 1 302.334 1.498 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565542 704271978 /nfs/dbraw/zinc/27/19/78/704271978.db2.gz HBZNGGOPEKKTDR-DOMZBBRYSA-N 1 1 302.334 1.870 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822237613 704896443 /nfs/dbraw/zinc/89/64/43/704896443.db2.gz BLSXKQJMFCOXKK-ZDUSSCGKSA-N 1 1 315.414 1.295 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000860158275 705116674 /nfs/dbraw/zinc/11/66/74/705116674.db2.gz LGKVJVBXCVEFKN-BXUZGUMPSA-N 1 1 306.318 1.469 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161403 705119361 /nfs/dbraw/zinc/11/93/61/705119361.db2.gz XZMROFUHIQGYGJ-OPQQBVKSSA-N 1 1 319.317 1.027 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161403 705119364 /nfs/dbraw/zinc/11/93/64/705119364.db2.gz XZMROFUHIQGYGJ-OPQQBVKSSA-N 1 1 319.317 1.027 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176335 705123234 /nfs/dbraw/zinc/12/32/34/705123234.db2.gz CWPPCGXTUCIRBD-HZPDHXFCSA-N 1 1 321.377 1.619 20 5 DDBDMO Cc1ccnc(C2CC[NH+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC000877331462 706067048 /nfs/dbraw/zinc/06/70/48/706067048.db2.gz PGTFKTSBDQLNTM-UHFFFAOYSA-N 1 1 316.365 1.806 20 5 DDBDMO CCOC(=O)[C@H]1CCC[N@@H+]1C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877380833 706087709 /nfs/dbraw/zinc/08/77/09/706087709.db2.gz VDRMQCQWMHRDMX-GCZXYKMCSA-N 1 1 308.338 1.522 20 5 DDBDMO CCOC(=O)[C@H]1CCC[N@H+]1C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877380833 706087713 /nfs/dbraw/zinc/08/77/13/706087713.db2.gz VDRMQCQWMHRDMX-GCZXYKMCSA-N 1 1 308.338 1.522 20 5 DDBDMO Cn1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000877384401 706090257 /nfs/dbraw/zinc/09/02/57/706090257.db2.gz GEWSSPIFXOFAJV-UHFFFAOYSA-N 1 1 316.361 1.812 20 5 DDBDMO O=C1CC2(CCC2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000880170980 706900529 /nfs/dbraw/zinc/90/05/29/706900529.db2.gz ZOUYKNHICJXXCN-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO O=C1CC2(CCC2)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000880170980 706900530 /nfs/dbraw/zinc/90/05/30/706900530.db2.gz ZOUYKNHICJXXCN-UHFFFAOYSA-N 1 1 307.325 1.979 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000880310321 706936850 /nfs/dbraw/zinc/93/68/50/706936850.db2.gz VLPQPWFGWPALTH-BETUJISGSA-N 1 1 307.325 1.644 20 5 DDBDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377832 706956450 /nfs/dbraw/zinc/95/64/50/706956450.db2.gz GMMNFRWPBVZAQK-GXFFZTMASA-N 1 1 322.390 1.833 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]2C1 ZINC000832866749 706996851 /nfs/dbraw/zinc/99/68/51/706996851.db2.gz XEENBNYUPFZNPZ-QWHCGFSZSA-N 1 1 313.398 1.144 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880528822 707005512 /nfs/dbraw/zinc/00/55/12/707005512.db2.gz HBIPXIIVAMFXCW-CFVMTHIKSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880528822 707005516 /nfs/dbraw/zinc/00/55/16/707005516.db2.gz HBIPXIIVAMFXCW-CFVMTHIKSA-N 1 1 319.361 1.229 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564952 707019659 /nfs/dbraw/zinc/01/96/59/707019659.db2.gz ALSKIPFRDOPQGH-ABAIWWIYSA-N 1 1 308.334 1.574 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881772862 707361490 /nfs/dbraw/zinc/36/14/90/707361490.db2.gz DSLIHNPTYBZJIG-LLVKDONJSA-N 1 1 312.345 1.898 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC2(COC2)CC1=O ZINC000872604547 707508218 /nfs/dbraw/zinc/50/82/18/707508218.db2.gz GWVHQJABFGNCPD-UHFFFAOYSA-N 1 1 319.361 1.276 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CC2(COC2)CC1=O ZINC000872604547 707508222 /nfs/dbraw/zinc/50/82/22/707508222.db2.gz GWVHQJABFGNCPD-UHFFFAOYSA-N 1 1 319.361 1.276 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000882486321 707657041 /nfs/dbraw/zinc/65/70/41/707657041.db2.gz QCEHBKSNMHRRRC-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838285914 707887516 /nfs/dbraw/zinc/88/75/16/707887516.db2.gz PTAKEWZAGFWCOA-CQSZACIVSA-N 1 1 319.317 1.767 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000897218127 708256386 /nfs/dbraw/zinc/25/63/86/708256386.db2.gz BCLCBHKBTOAKAM-KBPBESRZSA-N 1 1 321.377 1.639 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219631 708257284 /nfs/dbraw/zinc/25/72/84/708257284.db2.gz MEXGMYHIKGALJH-OLZOCXBDSA-N 1 1 322.365 1.034 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886341409 708745855 /nfs/dbraw/zinc/74/58/55/708745855.db2.gz URFWAKYPIKGMEE-MXWKQRLJSA-N 1 1 305.334 1.882 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886341409 708745856 /nfs/dbraw/zinc/74/58/56/708745856.db2.gz URFWAKYPIKGMEE-MXWKQRLJSA-N 1 1 305.334 1.882 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000886602162 708791278 /nfs/dbraw/zinc/79/12/78/708791278.db2.gz LCVJREXQFSTCEI-CYBMUJFWSA-N 1 1 323.397 1.288 20 5 DDBDMO CC1CC[NH+](Cc2cn(-c3ccc([N+](=O)[O-])cn3)nn2)CC1 ZINC000887417274 709040661 /nfs/dbraw/zinc/04/06/61/709040661.db2.gz FZWYVBQTVPESRA-UHFFFAOYSA-N 1 1 302.338 1.802 20 5 DDBDMO Cc1c(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000899934944 709242485 /nfs/dbraw/zinc/24/24/85/709242485.db2.gz FNHJSRXWOGIFHB-GFCCVEGCSA-N 1 1 305.334 1.562 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000890075197 709736150 /nfs/dbraw/zinc/73/61/50/709736150.db2.gz CEKCEQSFQSPUTA-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000900770627 709751047 /nfs/dbraw/zinc/75/10/47/709751047.db2.gz FFDVAFCRTAEAKF-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000912954750 713134431 /nfs/dbraw/zinc/13/44/31/713134431.db2.gz IOHVPQVSPZMUGH-UHFFFAOYSA-N 1 1 311.338 1.419 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331560 710012409 /nfs/dbraw/zinc/01/24/09/710012409.db2.gz XTCOLYBPDLLWJQ-FIXISWKDSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000901331560 710012413 /nfs/dbraw/zinc/01/24/13/710012413.db2.gz XTCOLYBPDLLWJQ-FIXISWKDSA-N 1 1 307.350 1.227 20 5 DDBDMO COc1c(O)ccc(CNCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893353719 710614394 /nfs/dbraw/zinc/61/43/94/710614394.db2.gz BPMTVAVBOSOGHR-LLVKDONJSA-N 1 1 309.366 1.740 20 5 DDBDMO COc1c(O)ccc(C[NH2+]CCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893353719 710614397 /nfs/dbraw/zinc/61/43/97/710614397.db2.gz BPMTVAVBOSOGHR-LLVKDONJSA-N 1 1 309.366 1.740 20 5 DDBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928442804 713198072 /nfs/dbraw/zinc/19/80/72/713198072.db2.gz CFFOFIPZLTVHGL-ZYHUDNBSSA-N 1 1 323.349 1.191 20 5 DDBDMO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247161 711464680 /nfs/dbraw/zinc/46/46/80/711464680.db2.gz FEOHBFKRLSFPLT-UWVGGRQHSA-N 1 1 324.410 1.350 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000895767839 711600658 /nfs/dbraw/zinc/60/06/58/711600658.db2.gz SAJILWICXFUUSD-LBPRGKRZSA-N 1 1 304.350 1.603 20 5 DDBDMO Nc1ccc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000896523027 711737728 /nfs/dbraw/zinc/73/77/28/711737728.db2.gz LYKGNZVNOQOPIZ-ZDUSSCGKSA-N 1 1 306.366 1.842 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000905677013 712114925 /nfs/dbraw/zinc/11/49/25/712114925.db2.gz UPZDFPKOKGDWJH-ZBFHGGJFSA-N 1 1 314.345 1.649 20 5 DDBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000905677013 712114927 /nfs/dbraw/zinc/11/49/27/712114927.db2.gz UPZDFPKOKGDWJH-ZBFHGGJFSA-N 1 1 314.345 1.649 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000917789288 713513939 /nfs/dbraw/zinc/51/39/39/713513939.db2.gz MLOUYNZUJNVMGO-SMDDNHRTSA-N 1 1 322.365 1.365 20 5 DDBDMO CCOCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000929153854 713558154 /nfs/dbraw/zinc/55/81/54/713558154.db2.gz COXJHPIAQDASBE-UHFFFAOYSA-N 1 1 323.393 1.770 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)C2(O)CCC2)C2CC2)cc1 ZINC000930140858 713765780 /nfs/dbraw/zinc/76/57/80/713765780.db2.gz IQDJXXRJWNZPNY-OAHLLOKOSA-N 1 1 306.362 1.835 20 5 DDBDMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000930770640 713916531 /nfs/dbraw/zinc/91/65/31/713916531.db2.gz AEPCUNMTHCXYES-PHIMTYICSA-N 1 1 320.349 1.629 20 5 DDBDMO C[C@@]1(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC000932102056 714259214 /nfs/dbraw/zinc/25/92/14/714259214.db2.gz MQLVJYHZSOSVKS-HNNXBMFYSA-N 1 1 320.349 1.700 20 5 DDBDMO CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C)CC1 ZINC000933992695 714717070 /nfs/dbraw/zinc/71/70/70/714717070.db2.gz PGZDEQMFAWSMLZ-UHFFFAOYSA-N 1 1 310.373 1.413 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC[N@@H+](C)CC1 ZINC000933993865 714717692 /nfs/dbraw/zinc/71/76/92/714717692.db2.gz QPUXWWQLIOLILV-UHFFFAOYSA-N 1 1 322.409 1.283 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1F ZINC000934265792 714780175 /nfs/dbraw/zinc/78/01/75/714780175.db2.gz NPMPFAOUQJSPQG-JKSUJKDBSA-N 1 1 323.368 1.765 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000925309438 714803343 /nfs/dbraw/zinc/80/33/43/714803343.db2.gz ZYLBKTMLDMCLLC-ONGXEEELSA-N 1 1 308.338 1.818 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc1Cl ZINC001164664945 719385507 /nfs/dbraw/zinc/38/55/07/719385507.db2.gz DAHCHOGOLPNYCK-QWRGUYRKSA-N 1 1 312.757 1.471 20 5 DDBDMO Cc1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922020 721849449 /nfs/dbraw/zinc/84/94/49/721849449.db2.gz PQLPXMCEHCNYNH-KGLIPLIRSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c([N+](=O)[O-])c1 ZINC001164922020 721849451 /nfs/dbraw/zinc/84/94/51/721849451.db2.gz PQLPXMCEHCNYNH-KGLIPLIRSA-N 1 1 319.409 1.513 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778090 736849560 /nfs/dbraw/zinc/84/95/60/736849560.db2.gz RCPUIKOWHWIGCU-RGDJUOJXSA-N 1 1 321.402 1.002 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3cccs3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778090 736849563 /nfs/dbraw/zinc/84/95/63/736849563.db2.gz RCPUIKOWHWIGCU-RGDJUOJXSA-N 1 1 321.402 1.002 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3cccs3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778090 736849565 /nfs/dbraw/zinc/84/95/65/736849565.db2.gz RCPUIKOWHWIGCU-RGDJUOJXSA-N 1 1 321.402 1.002 20 5 DDBDMO O=C(Cc1cnc[nH]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167355585 733282312 /nfs/dbraw/zinc/28/23/12/733282312.db2.gz QQVIMNIVWBIRPP-UHFFFAOYSA-N 1 1 317.349 1.157 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccccn2)CC1 ZINC001005379857 749946828 /nfs/dbraw/zinc/94/68/28/749946828.db2.gz YCNRMCHIGXBXCS-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)C1 ZINC001169018401 762199410 /nfs/dbraw/zinc/19/94/10/762199410.db2.gz BDAIJUPTLOVRLH-KBXIAJHMSA-N 1 1 317.393 1.290 20 5 DDBDMO COC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018749 762199509 /nfs/dbraw/zinc/19/95/09/762199509.db2.gz DIQCMSLLZLLXRR-KWCYVHTRSA-N 1 1 308.382 1.411 20 5 DDBDMO O=C(NCc1ccc2c(c1)C[N@H+](CCCF)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264356 759370552 /nfs/dbraw/zinc/37/05/52/759370552.db2.gz BBQCVYRSOOPDTG-HUUCEWRRSA-N 1 1 321.352 1.643 20 5 DDBDMO O=C(NCc1ccc2c(c1)C[N@@H+](CCCF)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001054264356 759370564 /nfs/dbraw/zinc/37/05/64/759370564.db2.gz BBQCVYRSOOPDTG-HUUCEWRRSA-N 1 1 321.352 1.643 20 5 DDBDMO O=C(NCc1ccc2c(c1)C[N@H+](CCCF)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001054264356 759370576 /nfs/dbraw/zinc/37/05/76/759370576.db2.gz BBQCVYRSOOPDTG-HUUCEWRRSA-N 1 1 321.352 1.643 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001393533 762820366 /nfs/dbraw/zinc/82/03/66/762820366.db2.gz DEFJKBFZSZBWCH-HUUCEWRRSA-N 1 1 318.377 1.075 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001170344894 766276992 /nfs/dbraw/zinc/27/69/92/766276992.db2.gz VPXCLYNXSPRUKY-UHFFFAOYSA-N 1 1 318.337 1.068 20 5 DDBDMO Cc1ncc(C[NH3+])c(=N)n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218533 777050958 /nfs/dbraw/zinc/05/09/58/777050958.db2.gz PTYVSOVPLYHCNU-SNVBAGLBSA-N 1 1 301.350 1.842 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267241364 837589525 /nfs/dbraw/zinc/58/95/25/837589525.db2.gz UNYGOLGKQDFNRB-HUUCEWRRSA-N 1 1 323.368 1.759 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267241364 837589535 /nfs/dbraw/zinc/58/95/35/837589535.db2.gz UNYGOLGKQDFNRB-HUUCEWRRSA-N 1 1 323.368 1.759 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CF)cc1 ZINC001267241364 837589544 /nfs/dbraw/zinc/58/95/44/837589544.db2.gz UNYGOLGKQDFNRB-HUUCEWRRSA-N 1 1 323.368 1.759 20 5 DDBDMO C[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964567 844358057 /nfs/dbraw/zinc/35/80/57/844358057.db2.gz OVCDPYXXFNMLTQ-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO C[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964567 844358069 /nfs/dbraw/zinc/35/80/69/844358069.db2.gz OVCDPYXXFNMLTQ-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO C[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964567 844358074 /nfs/dbraw/zinc/35/80/74/844358074.db2.gz OVCDPYXXFNMLTQ-HUUCEWRRSA-N 1 1 309.410 1.622 20 5 DDBDMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cocn1 ZINC001268523189 840380806 /nfs/dbraw/zinc/38/08/06/840380806.db2.gz PTUGCWPMPFSFQY-OWOJBTEDSA-N 1 1 322.346 1.720 20 5 DDBDMO COc1ncnc2c1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169021294 850518114 /nfs/dbraw/zinc/51/81/14/850518114.db2.gz KLLPFFRQTUERTH-NEPJUHHUSA-N 1 1 306.366 1.331 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001156176087 862777781 /nfs/dbraw/zinc/77/77/81/862777781.db2.gz JJHLUCRLVYIWGH-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122733056 858951212 /nfs/dbraw/zinc/95/12/12/858951212.db2.gz WJLPDSCDCIPOKJ-STQMWFEESA-N 1 1 322.413 1.241 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123879896 859452171 /nfs/dbraw/zinc/45/21/71/859452171.db2.gz JVSVCNQCEQGZSZ-FZMZJTMJSA-N 1 1 318.377 1.538 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975894 859507029 /nfs/dbraw/zinc/50/70/29/859507029.db2.gz GUSQVLAMRAVGBN-HUBLWGQQSA-N 1 1 318.377 1.160 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001157266669 863695115 /nfs/dbraw/zinc/69/51/15/863695115.db2.gz VXJIZHOIWLFAHZ-SKDRFNHKSA-N 1 1 307.310 1.428 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157265912 863695599 /nfs/dbraw/zinc/69/55/99/863695599.db2.gz LIBVLZJHMNBHNH-PWSUYJOCSA-N 1 1 320.349 1.307 20 5 DDBDMO [NH3+]Cc1ncn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])n1 ZINC001157931479 864277087 /nfs/dbraw/zinc/27/70/87/864277087.db2.gz OSXSRAJPXHDROB-UHFFFAOYSA-N 1 1 323.622 1.096 20 5 DDBDMO COc1cc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160722164 866068055 /nfs/dbraw/zinc/06/80/55/866068055.db2.gz FKVHXZISEQSIFB-NEPJUHHUSA-N 1 1 322.365 1.664 20 5 DDBDMO CCCOC(=O)CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001162490562 867574239 /nfs/dbraw/zinc/57/42/39/867574239.db2.gz IHGAGOPMPVGDCZ-AATRIKPKSA-N 1 1 308.338 1.887 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001325113609 867783206 /nfs/dbraw/zinc/78/32/06/867783206.db2.gz MEQKXEBFEBUHKH-LLVKDONJSA-N 1 1 307.354 1.265 20 5 DDBDMO O=[N+]([O-])c1cc[n+]([O-])c(NCC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001162808110 867841913 /nfs/dbraw/zinc/84/19/13/867841913.db2.gz LUGWAIQRSLNKAY-VIFPVBQESA-N 1 1 302.281 1.275 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226169396 882245071 /nfs/dbraw/zinc/24/50/71/882245071.db2.gz CUXLKFKWPUDMHZ-JTQLQIEISA-N 1 1 302.290 1.284 20 5 DDBDMO CN1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336763996 869130612 /nfs/dbraw/zinc/13/06/12/869130612.db2.gz WRWDKIAJGLWVAZ-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001336779627 869136510 /nfs/dbraw/zinc/13/65/10/869136510.db2.gz VQNCFAMUSVNLNR-OCCSQVGLSA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)CN(C)C ZINC001336779627 869136513 /nfs/dbraw/zinc/13/65/13/869136513.db2.gz VQNCFAMUSVNLNR-OCCSQVGLSA-N 1 1 311.382 1.122 20 5 DDBDMO C[N@H+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1(C)C ZINC001337168675 869359603 /nfs/dbraw/zinc/35/96/03/869359603.db2.gz AZVVQUWDEVPYLJ-UHFFFAOYSA-N 1 1 303.366 1.928 20 5 DDBDMO C[N@@H+](C1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1)[C@@H]1CCOC1 ZINC001165205512 869429348 /nfs/dbraw/zinc/42/93/48/869429348.db2.gz LILPKJVGWRYNDC-SNVBAGLBSA-N 1 1 317.349 1.380 20 5 DDBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337854025 869658527 /nfs/dbraw/zinc/65/85/27/869658527.db2.gz IKPLIOVRYFDCOZ-UHFFFAOYSA-N 1 1 309.370 1.119 20 5 DDBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1cc(N)c([N+](=O)[O-])cn1 ZINC001337854025 869658533 /nfs/dbraw/zinc/65/85/33/869658533.db2.gz IKPLIOVRYFDCOZ-UHFFFAOYSA-N 1 1 309.370 1.119 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@H+]1C ZINC001338020101 869748611 /nfs/dbraw/zinc/74/86/11/869748611.db2.gz BARXBUBEQMJWOE-LBPRGKRZSA-N 1 1 306.366 1.851 20 5 DDBDMO Cn1c[nH+]cc1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001340015143 870840627 /nfs/dbraw/zinc/84/06/27/870840627.db2.gz UZYBCHGBUISPAI-UHFFFAOYSA-N 1 1 303.322 1.813 20 5 DDBDMO C[N@@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448415 871337031 /nfs/dbraw/zinc/33/70/31/871337031.db2.gz TWORLBOXUFEOIC-NXEZZACHSA-N 1 1 311.304 1.432 20 5 DDBDMO C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448415 871337051 /nfs/dbraw/zinc/33/70/51/871337051.db2.gz TWORLBOXUFEOIC-NXEZZACHSA-N 1 1 311.304 1.432 20 5 DDBDMO C[N@@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448415 871337069 /nfs/dbraw/zinc/33/70/69/871337069.db2.gz TWORLBOXUFEOIC-NXEZZACHSA-N 1 1 311.304 1.432 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001347539437 874178914 /nfs/dbraw/zinc/17/89/14/874178914.db2.gz KYJTWLVQHSFMKV-BIMULSAOSA-N 1 1 307.325 1.804 20 5 DDBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(Cl)cc2[nH]1 ZINC001227262260 882942228 /nfs/dbraw/zinc/94/22/28/882942228.db2.gz LGJUOXGUSSXHNH-SNVBAGLBSA-N 1 1 312.777 1.579 20 5 DDBDMO CC[N@H+]1CC[C@@H](OCc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001223413621 880951984 /nfs/dbraw/zinc/95/19/84/880951984.db2.gz MHOOCIOSSDZKBQ-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234361137 887908106 /nfs/dbraw/zinc/90/81/06/887908106.db2.gz ZJVOHBQQUTYRQP-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001254564400 896501285 /nfs/dbraw/zinc/50/12/85/896501285.db2.gz LNDLKGKDQROGFX-JSGCOSHPSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)COC[C@@H]2C1 ZINC001254564400 896501303 /nfs/dbraw/zinc/50/13/03/896501303.db2.gz LNDLKGKDQROGFX-JSGCOSHPSA-N 1 1 319.361 1.069 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC001254596753 896522929 /nfs/dbraw/zinc/52/29/29/896522929.db2.gz GAYUFNYIZDIGGT-DLBZAZTESA-N 1 1 317.389 1.469 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN([C@H]3CCOC3)CC1)C2 ZINC001254596753 896522942 /nfs/dbraw/zinc/52/29/42/896522942.db2.gz GAYUFNYIZDIGGT-DLBZAZTESA-N 1 1 317.389 1.469 20 5 DDBDMO COC(=O)C[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612381 896534360 /nfs/dbraw/zinc/53/43/60/896534360.db2.gz VUYOGICDLSYQKN-ABAIWWIYSA-N 1 1 304.346 1.947 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001263980016 900854359 /nfs/dbraw/zinc/85/43/59/900854359.db2.gz LEJBWASZLQXSAR-NILFDRSVSA-N 1 1 303.362 1.973 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CN1 ZINC000278741790 214368611 /nfs/dbraw/zinc/36/86/11/214368611.db2.gz AGLZGFZRDDLQHX-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CN1 ZINC000278741790 214368614 /nfs/dbraw/zinc/36/86/14/214368614.db2.gz AGLZGFZRDDLQHX-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452113976 231306390 /nfs/dbraw/zinc/30/63/90/231306390.db2.gz JDDJVBZRAOBHFN-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000452395975 231377133 /nfs/dbraw/zinc/37/71/33/231377133.db2.gz XNXQBQWXHKBLMA-AWEZNQCLSA-N 1 1 307.350 1.171 20 5 DDBDMO CN(C)C1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000614992372 362108393 /nfs/dbraw/zinc/10/83/93/362108393.db2.gz FJHMPAISCMPKOI-UHFFFAOYSA-N 1 1 321.377 1.940 20 5 DDBDMO C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+](C)C1CC1 ZINC000181465855 199300726 /nfs/dbraw/zinc/30/07/26/199300726.db2.gz SGSCRUKHOVTNPE-VIFPVBQESA-N 1 1 321.333 1.536 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc[nH]n1 ZINC000358218008 299101793 /nfs/dbraw/zinc/10/17/93/299101793.db2.gz YIHPCSQRTDIHOR-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc[nH]n1 ZINC000358218008 299101796 /nfs/dbraw/zinc/10/17/96/299101796.db2.gz YIHPCSQRTDIHOR-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000342346036 282553522 /nfs/dbraw/zinc/55/35/22/282553522.db2.gz HQINPSLYZLQCFW-LLVKDONJSA-N 1 1 322.365 1.074 20 5 DDBDMO CC1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000279730485 215099220 /nfs/dbraw/zinc/09/92/20/215099220.db2.gz JOINSVHHWXOAGR-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000279730485 215099223 /nfs/dbraw/zinc/09/92/23/215099223.db2.gz JOINSVHHWXOAGR-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(N)=O)CC1 ZINC000021847346 352174749 /nfs/dbraw/zinc/17/47/49/352174749.db2.gz IXRVXUICYBKVER-JTQLQIEISA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000046863490 352466714 /nfs/dbraw/zinc/46/67/14/352466714.db2.gz KZKZRBGGVBEHAY-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000053572008 352660750 /nfs/dbraw/zinc/66/07/50/352660750.db2.gz ZPXWNKGSSDBAKB-ZIAGYGMSSA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000053968488 352674475 /nfs/dbraw/zinc/67/44/75/352674475.db2.gz ABDUDTMYONNUPN-HOTGVXAUSA-N 1 1 317.389 1.741 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000063707051 352920138 /nfs/dbraw/zinc/92/01/38/352920138.db2.gz KHKUUAABIIENTH-CYBMUJFWSA-N 1 1 305.378 1.984 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000068409786 353109397 /nfs/dbraw/zinc/10/93/97/353109397.db2.gz SRDUHXPHMNNTBI-NSHDSACASA-N 1 1 321.337 1.112 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000069529188 353165676 /nfs/dbraw/zinc/16/56/76/353165676.db2.gz JPVJIFFOVWMPKC-GFCCVEGCSA-N 1 1 307.350 1.435 20 5 DDBDMO CC(C)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248288 198310212 /nfs/dbraw/zinc/31/02/12/198310212.db2.gz VFZUCXGUZMEWLV-UHFFFAOYSA-N 1 1 321.377 1.963 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000076268929 353409727 /nfs/dbraw/zinc/40/97/27/353409727.db2.gz ANUMSSZWJGAROL-UHFFFAOYSA-N 1 1 308.386 1.668 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174705056 198373325 /nfs/dbraw/zinc/37/33/25/198373325.db2.gz CJIWUNZYYZCYRC-LLVKDONJSA-N 1 1 323.349 1.246 20 5 DDBDMO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000077742302 353485452 /nfs/dbraw/zinc/48/54/52/353485452.db2.gz OTPCCUNRDVRXDE-UHFFFAOYSA-N 1 1 313.379 1.451 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000077742302 353485456 /nfs/dbraw/zinc/48/54/56/353485456.db2.gz OTPCCUNRDVRXDE-UHFFFAOYSA-N 1 1 313.379 1.451 20 5 DDBDMO Cc1ccnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000078404364 353515278 /nfs/dbraw/zinc/51/52/78/353515278.db2.gz RRSULMXUKRXQDG-ZDUSSCGKSA-N 1 1 306.366 1.457 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080433657 353607117 /nfs/dbraw/zinc/60/71/17/353607117.db2.gz YCESAOVMHNHANS-AWEZNQCLSA-N 1 1 321.402 1.858 20 5 DDBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170728 353706483 /nfs/dbraw/zinc/70/64/83/353706483.db2.gz FNRXNPQHMWKNTR-VHSXEESVSA-N 1 1 318.333 1.822 20 5 DDBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092607669 353863463 /nfs/dbraw/zinc/86/34/63/353863463.db2.gz LWLNJYOPKQHLGA-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000112076012 353970278 /nfs/dbraw/zinc/97/02/78/353970278.db2.gz FVBVSYNSQNCSJO-LLVKDONJSA-N 1 1 306.366 1.851 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000108342750 353951116 /nfs/dbraw/zinc/95/11/16/353951116.db2.gz GILLHDNGKFHMJM-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000108346738 353951175 /nfs/dbraw/zinc/95/11/75/353951175.db2.gz GELRCCKKJUEHSV-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000589514775 354998553 /nfs/dbraw/zinc/99/85/53/354998553.db2.gz LNSYVYHLUHZHFD-YGRLFVJLSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000589514775 354998556 /nfs/dbraw/zinc/99/85/56/354998556.db2.gz LNSYVYHLUHZHFD-YGRLFVJLSA-N 1 1 308.334 1.584 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)[C@@H]2C1 ZINC000590010681 355040145 /nfs/dbraw/zinc/04/01/45/355040145.db2.gz OSRDJTJXTLYSJK-XHDPSFHLSA-N 1 1 319.361 1.597 20 5 DDBDMO COC(=O)c1ccnc(N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000590575310 355118522 /nfs/dbraw/zinc/11/85/22/355118522.db2.gz KBBPWYHVSXWZNF-UHFFFAOYSA-N 1 1 306.322 1.061 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000590445476 355098858 /nfs/dbraw/zinc/09/88/58/355098858.db2.gz MYSYZPLZJCWVOV-ZUZCIYMTSA-N 1 1 314.345 1.852 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000332580474 235140617 /nfs/dbraw/zinc/14/06/17/235140617.db2.gz HTPDBWDARYWDLN-CYBMUJFWSA-N 1 1 318.377 1.622 20 5 DDBDMO Cc1cnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000591744916 355376208 /nfs/dbraw/zinc/37/62/08/355376208.db2.gz OABUIASOISNUBE-GFCCVEGCSA-N 1 1 323.374 1.889 20 5 DDBDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532027 355616957 /nfs/dbraw/zinc/61/69/57/355616957.db2.gz LYUNHNXBZMUJMA-STQMWFEESA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592532027 355616959 /nfs/dbraw/zinc/61/69/59/355616959.db2.gz LYUNHNXBZMUJMA-STQMWFEESA-N 1 1 308.334 1.259 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000593029327 355774589 /nfs/dbraw/zinc/77/45/89/355774589.db2.gz FFXPAVAPRACXDH-SWLSCSKDSA-N 1 1 319.361 1.517 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593187837 355821283 /nfs/dbraw/zinc/82/12/83/355821283.db2.gz USWHIQWUFBGJCU-QJPTWQEYSA-N 1 1 309.370 1.121 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594081517 356108031 /nfs/dbraw/zinc/10/80/31/356108031.db2.gz OFPMLORGBRPJLP-DGCLKSJQSA-N 1 1 319.365 1.550 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595298325 356439584 /nfs/dbraw/zinc/43/95/84/356439584.db2.gz QKAAAHFGRLSSTN-NSHDSACASA-N 1 1 310.354 1.629 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595298325 356439590 /nfs/dbraw/zinc/43/95/90/356439590.db2.gz QKAAAHFGRLSSTN-NSHDSACASA-N 1 1 310.354 1.629 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081522084 192281261 /nfs/dbraw/zinc/28/12/61/192281261.db2.gz LURJJRARIKCLPW-NSHDSACASA-N 1 1 307.350 1.552 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595755462 356637118 /nfs/dbraw/zinc/63/71/18/356637118.db2.gz ARLLWCNSJQONHQ-XHBSWPGZSA-N 1 1 319.361 1.890 20 5 DDBDMO C[NH2+]C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000237063732 202138977 /nfs/dbraw/zinc/13/89/77/202138977.db2.gz HFWJJXCGKUJCLZ-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595838737 356673675 /nfs/dbraw/zinc/67/36/75/356673675.db2.gz VHVLNKQLXHPJTC-HIFRSBDPSA-N 1 1 308.382 1.664 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596160435 356797310 /nfs/dbraw/zinc/79/73/10/356797310.db2.gz VVNNXDDLNSNAIV-YPMHNXCESA-N 1 1 318.377 1.757 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166794 356799454 /nfs/dbraw/zinc/79/94/54/356799454.db2.gz WQOGNJRHMGBWAQ-FZMZJTMJSA-N 1 1 318.377 1.614 20 5 DDBDMO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596206012 356813571 /nfs/dbraw/zinc/81/35/71/356813571.db2.gz JWLIDHNVNHCMNZ-AWEZNQCLSA-N 1 1 306.366 1.470 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000597853876 357358306 /nfs/dbraw/zinc/35/83/06/357358306.db2.gz CSCIVSGMVPXBNL-LLVKDONJSA-N 1 1 309.370 1.028 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597857314 357360221 /nfs/dbraw/zinc/36/02/21/357360221.db2.gz DBVIPDAFQVIQKB-LLVKDONJSA-N 1 1 323.397 1.515 20 5 DDBDMO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597944553 357393531 /nfs/dbraw/zinc/39/35/31/357393531.db2.gz FBKDZTXRTDRAII-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597946005 357393806 /nfs/dbraw/zinc/39/38/06/357393806.db2.gz MKQIXAHPBPAMNO-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597946005 357393811 /nfs/dbraw/zinc/39/38/11/357393811.db2.gz MKQIXAHPBPAMNO-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597946005 357393817 /nfs/dbraw/zinc/39/38/17/357393817.db2.gz MKQIXAHPBPAMNO-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CC[N@@H+](C)C1 ZINC000597946879 357394700 /nfs/dbraw/zinc/39/47/00/357394700.db2.gz RVLJNSDNAPGQSL-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178866893 198943508 /nfs/dbraw/zinc/94/35/08/198943508.db2.gz DPESEKAWIDKYPG-DZGCQCFKSA-N 1 1 308.334 1.513 20 5 DDBDMO NC(=O)c1ccnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163076 357834718 /nfs/dbraw/zinc/83/47/18/357834718.db2.gz ATCHAGJVUDDUOQ-NSHDSACASA-N 1 1 319.365 1.518 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2NCC[N@@H+]2CC[C@H](O)C2)s1 ZINC000599199221 357847617 /nfs/dbraw/zinc/84/76/17/357847617.db2.gz HJORLFBIMJVBEM-QMMMGPOBSA-N 1 1 309.351 1.078 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599568556 357977898 /nfs/dbraw/zinc/97/78/98/357977898.db2.gz UBCNXGDLALPIRQ-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599568556 357977903 /nfs/dbraw/zinc/97/79/03/357977903.db2.gz UBCNXGDLALPIRQ-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682289 358023726 /nfs/dbraw/zinc/02/37/26/358023726.db2.gz ZTLKWICUURUNDJ-SGIREYDYSA-N 1 1 319.361 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682289 358023728 /nfs/dbraw/zinc/02/37/28/358023728.db2.gz ZTLKWICUURUNDJ-SGIREYDYSA-N 1 1 319.361 1.687 20 5 DDBDMO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000599988956 358096957 /nfs/dbraw/zinc/09/69/57/358096957.db2.gz PIICXECXOGQSEW-YABSGUDNSA-N 1 1 315.333 1.103 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860888 199220207 /nfs/dbraw/zinc/22/02/07/199220207.db2.gz RFYHUUHNTCHBKA-GHMZBOCLSA-N 1 1 310.350 1.815 20 5 DDBDMO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601136388 358417105 /nfs/dbraw/zinc/41/71/05/358417105.db2.gz QNCCGBFQAOPMAV-FZMZJTMJSA-N 1 1 314.345 1.892 20 5 DDBDMO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601150535 358422580 /nfs/dbraw/zinc/42/25/80/358422580.db2.gz YZWPOZXWYRKVLR-INIZCTEOSA-N 1 1 317.345 1.996 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](CO)[C@H]3CCOC3)c2c1 ZINC000601159134 358426434 /nfs/dbraw/zinc/42/64/34/358426434.db2.gz HRMJCTSXDCRKGS-NWDGAFQWSA-N 1 1 317.345 1.622 20 5 DDBDMO Cc1nn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000601956661 358753048 /nfs/dbraw/zinc/75/30/48/358753048.db2.gz GWJCLDUZARHMCY-INIZCTEOSA-N 1 1 316.361 1.737 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974881 358761010 /nfs/dbraw/zinc/76/10/10/358761010.db2.gz SCSVDLMICGNQEI-SDDRHHMPSA-N 1 1 305.334 1.500 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974881 358761012 /nfs/dbraw/zinc/76/10/12/358761012.db2.gz SCSVDLMICGNQEI-SDDRHHMPSA-N 1 1 305.334 1.500 20 5 DDBDMO CO[C@@]1(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCOC1 ZINC000602472606 359001665 /nfs/dbraw/zinc/00/16/65/359001665.db2.gz JBTCOSOISMCYIR-IUODEOHRSA-N 1 1 322.365 1.282 20 5 DDBDMO Cn1cc(C[N@H+](C)CCCNC(=O)C2CCC2)c([N+](=O)[O-])n1 ZINC000602637835 359090724 /nfs/dbraw/zinc/09/07/24/359090724.db2.gz OEYNNSPOLUMUJV-UHFFFAOYSA-N 1 1 309.370 1.067 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c([N+](=O)[O-])n1 ZINC000602637835 359090727 /nfs/dbraw/zinc/09/07/27/359090727.db2.gz OEYNNSPOLUMUJV-UHFFFAOYSA-N 1 1 309.370 1.067 20 5 DDBDMO COCCO[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602795264 359198176 /nfs/dbraw/zinc/19/81/76/359198176.db2.gz ADBXHDQYXPLJGD-CYBMUJFWSA-N 1 1 312.370 1.227 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602831702 359223410 /nfs/dbraw/zinc/22/34/10/359223410.db2.gz PWHXIDNHNMMMKF-DOTOQJQBSA-N 1 1 322.405 1.981 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930626 359300846 /nfs/dbraw/zinc/30/08/46/359300846.db2.gz IDILTDPBBBZSBQ-RDBSUJKOSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000602946800 359313314 /nfs/dbraw/zinc/31/33/14/359313314.db2.gz DXFMVGFDQALZSK-CYBMUJFWSA-N 1 1 321.381 1.524 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963070 359326170 /nfs/dbraw/zinc/32/61/70/359326170.db2.gz SUXQZCXHFSPJPB-ZBFHGGJFSA-N 1 1 307.394 1.876 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186861198 200023754 /nfs/dbraw/zinc/02/37/54/200023754.db2.gz OWIIRDVAXMTBFR-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186861198 200023757 /nfs/dbraw/zinc/02/37/57/200023757.db2.gz OWIIRDVAXMTBFR-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186864511 200024204 /nfs/dbraw/zinc/02/42/04/200024204.db2.gz KVSLQAPEGLWDSI-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186864511 200024206 /nfs/dbraw/zinc/02/42/06/200024206.db2.gz KVSLQAPEGLWDSI-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000603854340 359687853 /nfs/dbraw/zinc/68/78/53/359687853.db2.gz GUIPMQLYMTZGHR-UKRRQHHQSA-N 1 1 324.377 1.693 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000604473492 359754445 /nfs/dbraw/zinc/75/44/45/359754445.db2.gz PWSQNPSJHHERSS-UHFFFAOYSA-N 1 1 318.377 1.622 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604290911 359732410 /nfs/dbraw/zinc/73/24/10/359732410.db2.gz LXZWBRUKWNTYKG-LBPRGKRZSA-N 1 1 322.365 1.497 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000609583291 360329277 /nfs/dbraw/zinc/32/92/77/360329277.db2.gz RBALMNFUTHNQRY-UHFFFAOYSA-N 1 1 323.349 1.784 20 5 DDBDMO CN(CC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000610292834 360411165 /nfs/dbraw/zinc/41/11/65/360411165.db2.gz QJOJKEIKAZPASC-GFCCVEGCSA-N 1 1 306.366 1.241 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762616 360530992 /nfs/dbraw/zinc/53/09/92/360530992.db2.gz GUAXHQIEJUSUCF-GXTWGEPZSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762616 360530997 /nfs/dbraw/zinc/53/09/97/360530997.db2.gz GUAXHQIEJUSUCF-GXTWGEPZSA-N 1 1 301.346 1.968 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000611185064 360652924 /nfs/dbraw/zinc/65/29/24/360652924.db2.gz HAEWWYZKLCMALE-ZDUSSCGKSA-N 1 1 317.349 1.290 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000611088443 360620221 /nfs/dbraw/zinc/62/02/21/360620221.db2.gz WMJPJUZVFDQFGO-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000611088443 360620223 /nfs/dbraw/zinc/62/02/23/360620223.db2.gz WMJPJUZVFDQFGO-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611268418 360683999 /nfs/dbraw/zinc/68/39/99/360683999.db2.gz LNIPCCMFWJOJDE-CVEARBPZSA-N 1 1 321.377 1.331 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000611616852 360777046 /nfs/dbraw/zinc/77/70/46/360777046.db2.gz QWLVLGCAUYLBSS-LLVKDONJSA-N 1 1 308.382 1.987 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000611616489 360777353 /nfs/dbraw/zinc/77/73/53/360777353.db2.gz SVBVLZPRZKGNBD-UHFFFAOYSA-N 1 1 322.409 1.890 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000271899824 209308733 /nfs/dbraw/zinc/30/87/33/209308733.db2.gz GOQBGJPDYAQCEF-UHFFFAOYSA-N 1 1 308.313 1.308 20 5 DDBDMO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000619187186 363926649 /nfs/dbraw/zinc/92/66/49/363926649.db2.gz WDBROXIAHXDXFK-KBPBESRZSA-N 1 1 319.361 1.403 20 5 DDBDMO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000619187186 363926653 /nfs/dbraw/zinc/92/66/53/363926653.db2.gz WDBROXIAHXDXFK-KBPBESRZSA-N 1 1 319.361 1.403 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CCC[N@H+](CCO)CC1)CCN2 ZINC000275333315 212275652 /nfs/dbraw/zinc/27/56/52/212275652.db2.gz GIQVZMVBMNRBRT-UHFFFAOYSA-N 1 1 306.366 1.067 20 5 DDBDMO C[C@H]1CN(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000282538871 217072617 /nfs/dbraw/zinc/07/26/17/217072617.db2.gz VWWODLAKRZJBRA-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)NCCF ZINC000282545533 217078800 /nfs/dbraw/zinc/07/88/00/217078800.db2.gz CLJKGSDBLKZABP-MRVPVSSYSA-N 1 1 303.721 1.812 20 5 DDBDMO C[N@@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000288297543 220070526 /nfs/dbraw/zinc/07/05/26/220070526.db2.gz GZPBMYJIXFQALK-UHFFFAOYSA-N 1 1 303.322 1.750 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288454409 220152163 /nfs/dbraw/zinc/15/21/63/220152163.db2.gz NYUSAFHNXIGABO-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000284780500 218174902 /nfs/dbraw/zinc/17/49/02/218174902.db2.gz KLZREBRAKKDVSR-HNLSUCLVSA-N 1 1 316.361 1.706 20 5 DDBDMO CN1C(=O)N[C@@H]2C[N@H+](CC=Cc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000284780500 218174904 /nfs/dbraw/zinc/17/49/04/218174904.db2.gz KLZREBRAKKDVSR-HNLSUCLVSA-N 1 1 316.361 1.706 20 5 DDBDMO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000338670297 250084291 /nfs/dbraw/zinc/08/42/91/250084291.db2.gz BQPFSPNPUCROKD-RYUDHWBXSA-N 1 1 321.381 1.269 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000288581053 220259023 /nfs/dbraw/zinc/25/90/23/220259023.db2.gz XKLYLDVHCATHNB-ZDUSSCGKSA-N 1 1 321.377 1.690 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285090696 218287421 /nfs/dbraw/zinc/28/74/21/218287421.db2.gz DMCBIJLQIVNOMV-GJZGRUSLSA-N 1 1 319.361 1.448 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340925921 251281813 /nfs/dbraw/zinc/28/18/13/251281813.db2.gz IVVXCMIYBPCONN-WCQYABFASA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000273138615 210515226 /nfs/dbraw/zinc/51/52/26/210515226.db2.gz DIUHYVKXVPUMPY-QWRGUYRKSA-N 1 1 309.370 1.685 20 5 DDBDMO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272995108 210376837 /nfs/dbraw/zinc/37/68/37/210376837.db2.gz QNZKCRPEPIBKFN-GFCCVEGCSA-N 1 1 319.361 1.740 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952879 197313837 /nfs/dbraw/zinc/31/38/37/197313837.db2.gz NHKTZTMUXOCLBN-LLVKDONJSA-N 1 1 321.312 1.490 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272951045 210338961 /nfs/dbraw/zinc/33/89/61/210338961.db2.gz MRXDCBVLZAMSQC-SNVBAGLBSA-N 1 1 304.350 1.557 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOC2CCC2)CC1 ZINC000298057241 285165561 /nfs/dbraw/zinc/16/55/61/285165561.db2.gz JRLVFAQUNJTDTO-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO COc1cc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)ccc1[N+](=O)[O-] ZINC000352765923 285285582 /nfs/dbraw/zinc/28/55/82/285285582.db2.gz APMYHTHAQWMQFV-AWEZNQCLSA-N 1 1 321.377 1.904 20 5 DDBDMO COc1cc(C(=O)NCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000299687123 533533925 /nfs/dbraw/zinc/53/39/25/533533925.db2.gz URVKVTBYGQIBLP-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO COc1c(C(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000353331579 285666303 /nfs/dbraw/zinc/66/63/03/285666303.db2.gz AIEWXBBSKJNMAF-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103201166 407333867 /nfs/dbraw/zinc/33/38/67/407333867.db2.gz CIVVDHXMPXRLHJ-UHFFFAOYSA-N 1 1 318.337 1.659 20 5 DDBDMO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000124696811 407366072 /nfs/dbraw/zinc/36/60/72/407366072.db2.gz BQBKKBGKQQEUEE-OLZOCXBDSA-N 1 1 308.382 1.580 20 5 DDBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000178516321 407477405 /nfs/dbraw/zinc/47/74/05/407477405.db2.gz LMTDELSNMWZXOZ-NSHDSACASA-N 1 1 310.354 1.455 20 5 DDBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000170793071 407508024 /nfs/dbraw/zinc/50/80/24/407508024.db2.gz JRXXNWSBBWIJQM-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170911874 407551062 /nfs/dbraw/zinc/55/10/62/407551062.db2.gz YETBDWMJEPSBTE-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185885737 407531323 /nfs/dbraw/zinc/53/13/23/407531323.db2.gz LQAULHNAXRYHKB-UHFFFAOYSA-N 1 1 315.395 1.605 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114063540 407539035 /nfs/dbraw/zinc/53/90/35/407539035.db2.gz BYOAASGWJBPKBY-NSHDSACASA-N 1 1 323.349 1.664 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000114139113 407544827 /nfs/dbraw/zinc/54/48/27/407544827.db2.gz GLSYVHXNUDCYSB-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000114727663 407605878 /nfs/dbraw/zinc/60/58/78/407605878.db2.gz CGBHQUGOGATAFS-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000114727663 407605883 /nfs/dbraw/zinc/60/58/83/407605883.db2.gz CGBHQUGOGATAFS-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO CNC(=O)NC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130372105 407680309 /nfs/dbraw/zinc/68/03/09/407680309.db2.gz WGIRARKUCDBKMS-UHFFFAOYSA-N 1 1 320.349 1.405 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171803846 407770074 /nfs/dbraw/zinc/77/00/74/407770074.db2.gz PSTLOWSBRHJFBF-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153771356 407898448 /nfs/dbraw/zinc/89/84/48/407898448.db2.gz BNUXUKCAWKBFNT-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272527318 407966441 /nfs/dbraw/zinc/96/64/41/407966441.db2.gz IAQOFUNTCFSODX-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189571682 408053354 /nfs/dbraw/zinc/05/33/54/408053354.db2.gz IGDURHQZAHBJBW-ZENOOKHLSA-N 1 1 323.393 1.015 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000272570091 407987914 /nfs/dbraw/zinc/98/79/14/407987914.db2.gz CWQLOFHNJHPERV-MNOVXSKESA-N 1 1 306.366 1.732 20 5 DDBDMO COc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000272865604 408013882 /nfs/dbraw/zinc/01/38/82/408013882.db2.gz SVGSUJZWFBCGHL-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000150768368 408197478 /nfs/dbraw/zinc/19/74/78/408197478.db2.gz ONSMJZDDWHBYTP-CYBMUJFWSA-N 1 1 308.382 1.845 20 5 DDBDMO CC[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000121440014 408209427 /nfs/dbraw/zinc/20/94/27/408209427.db2.gz KCDPHRKNQWBVJC-UHFFFAOYSA-N 1 1 316.361 1.783 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000269390666 408291138 /nfs/dbraw/zinc/29/11/38/408291138.db2.gz RHAFSSABJVZSFO-QWRGUYRKSA-N 1 1 321.381 1.798 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246641628 408310303 /nfs/dbraw/zinc/31/03/03/408310303.db2.gz FRZJXCDJLKYKBR-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000246810226 408344796 /nfs/dbraw/zinc/34/47/96/408344796.db2.gz DGQAWKPSBNGHOA-CMPLNLGQSA-N 1 1 306.366 1.636 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205958 408386153 /nfs/dbraw/zinc/38/61/53/408386153.db2.gz ROBLWIBQQIZFCS-RTXFEEFZSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000191205958 408386154 /nfs/dbraw/zinc/38/61/54/408386154.db2.gz ROBLWIBQQIZFCS-RTXFEEFZSA-N 1 1 308.338 1.065 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247318435 408448879 /nfs/dbraw/zinc/44/88/79/408448879.db2.gz SCUBNYFGNCYQMZ-GXTWGEPZSA-N 1 1 321.381 1.124 20 5 DDBDMO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCOCC1 ZINC000264187219 408395570 /nfs/dbraw/zinc/39/55/70/408395570.db2.gz BVPFWGWOYKKRHJ-VHSXEESVSA-N 1 1 321.337 1.652 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191540155 408442645 /nfs/dbraw/zinc/44/26/45/408442645.db2.gz GFPXQLBUJHWENA-LBPRGKRZSA-N 1 1 306.366 1.781 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247285283 408444577 /nfs/dbraw/zinc/44/45/77/408444577.db2.gz GDPPBWZYJCQJLZ-TZMCWYRMSA-N 1 1 320.393 1.805 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176962899 408484735 /nfs/dbraw/zinc/48/47/35/408484735.db2.gz NNKANWZMAPSQKZ-LBPRGKRZSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000176989644 408491486 /nfs/dbraw/zinc/49/14/86/408491486.db2.gz QMPVBLWYBQFYSK-CMPLNLGQSA-N 1 1 304.350 1.486 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000264543341 408529109 /nfs/dbraw/zinc/52/91/09/408529109.db2.gz BCDNWUYCUBWCPI-CYBMUJFWSA-N 1 1 307.350 1.930 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000264543341 408529115 /nfs/dbraw/zinc/52/91/15/408529115.db2.gz BCDNWUYCUBWCPI-CYBMUJFWSA-N 1 1 307.350 1.930 20 5 DDBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000264387798 408472081 /nfs/dbraw/zinc/47/20/81/408472081.db2.gz JZGVFCYTJFYWDT-SNVBAGLBSA-N 1 1 320.353 1.179 20 5 DDBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000184337346 408592760 /nfs/dbraw/zinc/59/27/60/408592760.db2.gz VVLCBWAAEWLYBX-CYBMUJFWSA-N 1 1 320.393 1.351 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000161369147 408594992 /nfs/dbraw/zinc/59/49/92/408594992.db2.gz AHUMEXGWCLDOTE-CABZTGNLSA-N 1 1 324.356 1.775 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000161401027 408597956 /nfs/dbraw/zinc/59/79/56/408597956.db2.gz BPZHPKOFDGUVHB-WFASDCNBSA-N 1 1 305.378 1.982 20 5 DDBDMO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193558643 408727511 /nfs/dbraw/zinc/72/75/11/408727511.db2.gz WKGPLULPBKGMAC-KWQFWETISA-N 1 1 303.322 1.341 20 5 DDBDMO COc1cccc(NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185454474 408810299 /nfs/dbraw/zinc/81/02/99/408810299.db2.gz IBZWEMUNVLFPNY-LBPRGKRZSA-N 1 1 309.366 1.984 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270926824 408744586 /nfs/dbraw/zinc/74/45/86/408744586.db2.gz PBCKSQWAZFMUFU-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270926824 408744589 /nfs/dbraw/zinc/74/45/89/408744589.db2.gz PBCKSQWAZFMUFU-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270929680 408746501 /nfs/dbraw/zinc/74/65/01/408746501.db2.gz DYGWHWRHOCJMIW-GFCCVEGCSA-N 1 1 323.397 1.713 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000177999710 408754127 /nfs/dbraw/zinc/75/41/27/408754127.db2.gz RDIUNDSWDTWQKS-HNNXBMFYSA-N 1 1 321.425 1.982 20 5 DDBDMO C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000290840047 408842714 /nfs/dbraw/zinc/84/27/14/408842714.db2.gz VQPLXSDNOHAHHA-ONGXEEELSA-N 1 1 304.350 1.731 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CCOC ZINC000192561851 163226969 /nfs/dbraw/zinc/22/69/69/163226969.db2.gz QJLYZYOFXGIEJS-LBPRGKRZSA-N 1 1 311.386 1.642 20 5 DDBDMO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286267840 408951944 /nfs/dbraw/zinc/95/19/44/408951944.db2.gz QKDCAXKDCYOGTP-FUNVUKJBSA-N 1 1 321.381 1.265 20 5 DDBDMO COc1cc(C[N@H+](C)CCOCCO)c([N+](=O)[O-])cc1F ZINC000282282391 409026396 /nfs/dbraw/zinc/02/63/96/409026396.db2.gz DYDCXLWETWRVQX-UHFFFAOYSA-N 1 1 302.302 1.183 20 5 DDBDMO COc1cc(C[N@@H+](C)CCOCCO)c([N+](=O)[O-])cc1F ZINC000282282391 409026398 /nfs/dbraw/zinc/02/63/98/409026398.db2.gz DYDCXLWETWRVQX-UHFFFAOYSA-N 1 1 302.302 1.183 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278156556 409074630 /nfs/dbraw/zinc/07/46/30/409074630.db2.gz AACLIJJOPTYDTL-LLVKDONJSA-N 1 1 304.354 1.129 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278156556 409074631 /nfs/dbraw/zinc/07/46/31/409074631.db2.gz AACLIJJOPTYDTL-LLVKDONJSA-N 1 1 304.354 1.129 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278156556 409074632 /nfs/dbraw/zinc/07/46/32/409074632.db2.gz AACLIJJOPTYDTL-LLVKDONJSA-N 1 1 304.354 1.129 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000293260980 409077598 /nfs/dbraw/zinc/07/75/98/409077598.db2.gz UKNFNWAUAINCEY-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](O)CC1 ZINC000293260980 409077602 /nfs/dbraw/zinc/07/76/02/409077602.db2.gz UKNFNWAUAINCEY-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H](O)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293462510 409117829 /nfs/dbraw/zinc/11/78/29/409117829.db2.gz DHMVMWFIHRANJD-VIFPVBQESA-N 1 1 322.283 1.789 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@H]2C1 ZINC000279200783 409169291 /nfs/dbraw/zinc/16/92/91/409169291.db2.gz LPBVETQNLUROHC-PHIMTYICSA-N 1 1 314.345 1.710 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000290239153 409332838 /nfs/dbraw/zinc/33/28/38/409332838.db2.gz WQOOKQQSKWUQIP-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN(C)CC[NH+](C)C ZINC000290239153 409332840 /nfs/dbraw/zinc/33/28/40/409332840.db2.gz WQOOKQQSKWUQIP-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000319187112 164034917 /nfs/dbraw/zinc/03/49/17/164034917.db2.gz OSBAEQIEXGKSQB-ZJUUUORDSA-N 1 1 308.338 1.671 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331643342 409728437 /nfs/dbraw/zinc/72/84/37/409728437.db2.gz JNOPSXAFMYVSPT-UHFFFAOYSA-N 1 1 318.337 1.055 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000357029286 409806364 /nfs/dbraw/zinc/80/63/64/409806364.db2.gz CSFDTOJKCUYDAP-CHWSQXEVSA-N 1 1 320.393 1.866 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000346263208 409891862 /nfs/dbraw/zinc/89/18/62/409891862.db2.gz BXJPKZALBQTUPV-HNNXBMFYSA-N 1 1 321.381 1.081 20 5 DDBDMO C[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000354548071 409930972 /nfs/dbraw/zinc/93/09/72/409930972.db2.gz RRUWPZCROHOOCK-GWCFXTLKSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000354548071 409930976 /nfs/dbraw/zinc/93/09/76/409930976.db2.gz RRUWPZCROHOOCK-GWCFXTLKSA-N 1 1 313.379 1.356 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CCC[NH3+])CC2CCCC2)c1[N+](=O)[O-] ZINC000357383470 410003651 /nfs/dbraw/zinc/00/36/51/410003651.db2.gz UZIUDNHONDOXPH-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000357701780 410195940 /nfs/dbraw/zinc/19/59/40/410195940.db2.gz XSIILHYNWIWGGS-ONGXEEELSA-N 1 1 308.338 1.671 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351787262 410235167 /nfs/dbraw/zinc/23/51/67/410235167.db2.gz YTGXOEZMEGSNIZ-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347427552 410540381 /nfs/dbraw/zinc/54/03/81/410540381.db2.gz JCBJJTBWLTZEPY-UHFFFAOYSA-N 1 1 309.370 1.180 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330569425 410784564 /nfs/dbraw/zinc/78/45/64/410784564.db2.gz MCUIDYLCPHOQLE-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1nn(CCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605533 410821665 /nfs/dbraw/zinc/82/16/65/410821665.db2.gz ZDVYNUWHKZJQQQ-WDEREUQCSA-N 1 1 323.397 1.349 20 5 DDBDMO C[NH+](C)CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000356285898 410943642 /nfs/dbraw/zinc/94/36/42/410943642.db2.gz XAGAHXJBQCHIAN-UHFFFAOYSA-N 1 1 317.349 1.637 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCN1CCOCC1)CC2 ZINC000131399829 196164760 /nfs/dbraw/zinc/16/47/60/196164760.db2.gz BOZPAEUFRTXJBN-UHFFFAOYSA-N 1 1 305.378 1.675 20 5 DDBDMO C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131920940 196209743 /nfs/dbraw/zinc/20/97/43/196209743.db2.gz VGOXDEZXWDYMIA-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131920940 196209745 /nfs/dbraw/zinc/20/97/45/196209745.db2.gz VGOXDEZXWDYMIA-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO CCOc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000373913784 418472450 /nfs/dbraw/zinc/47/24/50/418472450.db2.gz VTLVLLAMHVAYOQ-OKILXGFUSA-N 1 1 305.378 1.987 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360741655 418505465 /nfs/dbraw/zinc/50/54/65/418505465.db2.gz XTQYZHSRISIQJK-CYBMUJFWSA-N 1 1 309.322 1.263 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360741655 418505468 /nfs/dbraw/zinc/50/54/68/418505468.db2.gz XTQYZHSRISIQJK-CYBMUJFWSA-N 1 1 309.322 1.263 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCN(CC)CC1 ZINC000360961364 418556239 /nfs/dbraw/zinc/55/62/39/418556239.db2.gz PRRPNFYLQSLUFG-UHFFFAOYSA-N 1 1 324.429 1.559 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368232016 418707388 /nfs/dbraw/zinc/70/73/88/418707388.db2.gz YVSRPARRAMNZRF-WCQYABFASA-N 1 1 305.334 1.171 20 5 DDBDMO C[C@@](O)(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614005 418662830 /nfs/dbraw/zinc/66/28/30/418662830.db2.gz SXPBEALEFKPULM-GXSJLCMTSA-N 1 1 322.287 1.742 20 5 DDBDMO C[C@@](O)(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614005 418662833 /nfs/dbraw/zinc/66/28/33/418662833.db2.gz SXPBEALEFKPULM-GXSJLCMTSA-N 1 1 322.287 1.742 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368063182 418683021 /nfs/dbraw/zinc/68/30/21/418683021.db2.gz MLSLBHXJOMLPQM-OLZOCXBDSA-N 1 1 319.361 1.561 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000368133900 418694366 /nfs/dbraw/zinc/69/43/66/418694366.db2.gz IDLDZDDNNXPULU-UNQGMJICSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368133900 418694369 /nfs/dbraw/zinc/69/43/69/418694369.db2.gz IDLDZDDNNXPULU-UNQGMJICSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000368133900 418694371 /nfs/dbraw/zinc/69/43/71/418694371.db2.gz IDLDZDDNNXPULU-UNQGMJICSA-N 1 1 303.362 1.288 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365840936 418914962 /nfs/dbraw/zinc/91/49/62/418914962.db2.gz XBJOLLCGFALCMQ-BZNIZROVSA-N 1 1 319.361 1.769 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CCO)c2c(c1)COCO2 ZINC000426230923 419411496 /nfs/dbraw/zinc/41/14/96/419411496.db2.gz NXMYATSCNFTSJK-ZDUSSCGKSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411798510 419415982 /nfs/dbraw/zinc/41/59/82/419415982.db2.gz LWDWIJFFQCGZBQ-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO COC(=O)[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411912325 419479810 /nfs/dbraw/zinc/47/98/10/419479810.db2.gz VGKZXMDOVOWJLI-QWHCGFSZSA-N 1 1 321.377 1.692 20 5 DDBDMO COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411915480 419484852 /nfs/dbraw/zinc/48/48/52/419484852.db2.gz ZHEDROKJBCKGPO-ZDUSSCGKSA-N 1 1 307.350 1.131 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCC[N@H+]1C ZINC000421000787 419433418 /nfs/dbraw/zinc/43/34/18/419433418.db2.gz KNIQYJOOQUCFOE-AWEZNQCLSA-N 1 1 320.393 1.868 20 5 DDBDMO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000421011085 419443861 /nfs/dbraw/zinc/44/38/61/419443861.db2.gz RSQCCCUXZSVORW-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011085 419443873 /nfs/dbraw/zinc/44/38/73/419443873.db2.gz RSQCCCUXZSVORW-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CCC[C@H]1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421011085 419443880 /nfs/dbraw/zinc/44/38/80/419443880.db2.gz RSQCCCUXZSVORW-KBPBESRZSA-N 1 1 323.393 1.361 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000418122953 419555141 /nfs/dbraw/zinc/55/51/41/419555141.db2.gz YGKIXUWHGVKXNG-UONOGXRCSA-N 1 1 307.394 1.790 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411946400 419515380 /nfs/dbraw/zinc/51/53/80/419515380.db2.gz SKMHUWOCPHSOQE-LBPRGKRZSA-N 1 1 307.350 1.384 20 5 DDBDMO Cc1nnc([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412029360 419577449 /nfs/dbraw/zinc/57/74/49/419577449.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412029360 419577454 /nfs/dbraw/zinc/57/74/54/419577454.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412029360 419577460 /nfs/dbraw/zinc/57/74/60/419577460.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412029360 419577464 /nfs/dbraw/zinc/57/74/64/419577464.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO Cc1nc([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412029360 419577472 /nfs/dbraw/zinc/57/74/72/419577472.db2.gz OJHPQCWEVCCEIK-LBPRGKRZSA-N 1 1 317.349 1.890 20 5 DDBDMO COc1ccc(OCC[N@@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000412039585 419582603 /nfs/dbraw/zinc/58/26/03/419582603.db2.gz PZPKGFHNALMULA-NWDGAFQWSA-N 1 1 310.350 1.685 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)CCC(F)(F)F ZINC000427226983 419621711 /nfs/dbraw/zinc/62/17/11/419621711.db2.gz VLVFYKNPHBGCJO-UHFFFAOYSA-N 1 1 322.287 1.927 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000421878632 419755281 /nfs/dbraw/zinc/75/52/81/419755281.db2.gz VSPPQAMWKSZDSB-ZDUSSCGKSA-N 1 1 321.377 1.350 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000421878632 419755288 /nfs/dbraw/zinc/75/52/88/419755288.db2.gz VSPPQAMWKSZDSB-ZDUSSCGKSA-N 1 1 321.377 1.350 20 5 DDBDMO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428010768 419788040 /nfs/dbraw/zinc/78/80/40/419788040.db2.gz MYCUINJYHJANJB-LBPRGKRZSA-N 1 1 323.349 1.141 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428010768 419788043 /nfs/dbraw/zinc/78/80/43/419788043.db2.gz MYCUINJYHJANJB-LBPRGKRZSA-N 1 1 323.349 1.141 20 5 DDBDMO COCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299266695 229018093 /nfs/dbraw/zinc/01/80/93/229018093.db2.gz KUGPSOGXBAKXLX-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO COCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299266695 229018095 /nfs/dbraw/zinc/01/80/95/229018095.db2.gz KUGPSOGXBAKXLX-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000430226202 420091776 /nfs/dbraw/zinc/09/17/76/420091776.db2.gz MSQGDHJVRYWODF-CMPLNLGQSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381746 420251481 /nfs/dbraw/zinc/25/14/81/420251481.db2.gz ZJHWHSGTCDHDCS-XHBSWPGZSA-N 1 1 320.393 1.900 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709122 420262412 /nfs/dbraw/zinc/26/24/12/420262412.db2.gz FRKBWCINOMJVRJ-ZDUSSCGKSA-N 1 1 323.393 1.756 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434709122 420262416 /nfs/dbraw/zinc/26/24/16/420262416.db2.gz FRKBWCINOMJVRJ-ZDUSSCGKSA-N 1 1 323.393 1.756 20 5 DDBDMO Cc1c(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416294351 420310275 /nfs/dbraw/zinc/31/02/75/420310275.db2.gz KVODYNCPAXUXRG-NWDGAFQWSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000416294351 420310278 /nfs/dbraw/zinc/31/02/78/420310278.db2.gz KVODYNCPAXUXRG-NWDGAFQWSA-N 1 1 321.377 1.430 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000436009892 420301730 /nfs/dbraw/zinc/30/17/30/420301730.db2.gz WQFWEDXBHYCHOU-NEPJUHHUSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457004734 420586299 /nfs/dbraw/zinc/58/62/99/420586299.db2.gz YMWPRHXNVZLNPA-GFCCVEGCSA-N 1 1 301.302 1.975 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457121475 420622425 /nfs/dbraw/zinc/62/24/25/420622425.db2.gz OLIPQTDHTFFIED-CYBMUJFWSA-N 1 1 323.397 1.431 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000492739438 420648031 /nfs/dbraw/zinc/64/80/31/420648031.db2.gz AIULVEURKHZMSP-LLVKDONJSA-N 1 1 308.338 1.236 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000492739438 420648036 /nfs/dbraw/zinc/64/80/36/420648036.db2.gz AIULVEURKHZMSP-LLVKDONJSA-N 1 1 308.338 1.236 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C(N)=O)c1ccccn1 ZINC000449364562 420999293 /nfs/dbraw/zinc/99/92/93/420999293.db2.gz SHYAZWFTNGFCJI-NHYWBVRUSA-N 1 1 314.345 1.737 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449786394 421082969 /nfs/dbraw/zinc/08/29/69/421082969.db2.gz NMYODXAENJIQKC-SDQPKGBYSA-N 1 1 305.378 1.606 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000489333273 421146667 /nfs/dbraw/zinc/14/66/67/421146667.db2.gz GHHHQAAQLOGCRE-ZDUSSCGKSA-N 1 1 324.356 1.728 20 5 DDBDMO COc1cccc(NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450588319 421213042 /nfs/dbraw/zinc/21/30/42/421213042.db2.gz AXMIUHQNTLXGLY-GFCCVEGCSA-N 1 1 309.366 1.862 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450601233 421216075 /nfs/dbraw/zinc/21/60/75/421216075.db2.gz YCBRQJDFWANUKT-LLVKDONJSA-N 1 1 311.386 1.149 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000525620063 421294231 /nfs/dbraw/zinc/29/42/31/421294231.db2.gz ZESTYBXVEDMQJH-ZJUUUORDSA-N 1 1 321.333 1.536 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000516852236 421570561 /nfs/dbraw/zinc/57/05/61/421570561.db2.gz JAAFMVGLRCJFAL-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000518650470 421661400 /nfs/dbraw/zinc/66/14/00/421661400.db2.gz JPUXXUQMYFYGAT-CYBMUJFWSA-N 1 1 321.377 1.604 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521500315 421790468 /nfs/dbraw/zinc/79/04/68/421790468.db2.gz IODUYKAPUUEBDP-JTQLQIEISA-N 1 1 323.349 1.784 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000557919990 421794041 /nfs/dbraw/zinc/79/40/41/421794041.db2.gz LSUBYROQWPRWCX-LBPRGKRZSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000557919990 421794044 /nfs/dbraw/zinc/79/40/44/421794044.db2.gz LSUBYROQWPRWCX-LBPRGKRZSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573932543 422034756 /nfs/dbraw/zinc/03/47/56/422034756.db2.gz LZKFOPIDQBBXBB-SNVBAGLBSA-N 1 1 307.354 1.176 20 5 DDBDMO Nc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000592430866 422333003 /nfs/dbraw/zinc/33/30/03/422333003.db2.gz IKVLUVVWULYNIT-UHFFFAOYSA-N 1 1 313.361 1.894 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000578527776 422590239 /nfs/dbraw/zinc/59/02/39/422590239.db2.gz QBWRQGVRMHVORI-DOMZBBRYSA-N 1 1 319.361 1.668 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344143395 271958031 /nfs/dbraw/zinc/95/80/31/271958031.db2.gz BQBAGPBVVZNXQB-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344143395 271958034 /nfs/dbraw/zinc/95/80/34/271958034.db2.gz BQBAGPBVVZNXQB-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964281 272377356 /nfs/dbraw/zinc/37/73/56/272377356.db2.gz QGPUQGUHNXXJDB-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964281 272377357 /nfs/dbraw/zinc/37/73/57/272377357.db2.gz QGPUQGUHNXXJDB-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964281 272377360 /nfs/dbraw/zinc/37/73/60/272377360.db2.gz QGPUQGUHNXXJDB-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964281 272377362 /nfs/dbraw/zinc/37/73/62/272377362.db2.gz QGPUQGUHNXXJDB-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000346050859 272398890 /nfs/dbraw/zinc/39/88/90/272398890.db2.gz RIDGHJDJRIVRCO-NWDGAFQWSA-N 1 1 323.397 1.431 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000338667783 274117811 /nfs/dbraw/zinc/11/78/11/274117811.db2.gz BOBQCTNSYXZUQS-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000177784756 276233428 /nfs/dbraw/zinc/23/34/28/276233428.db2.gz BXURKPNUGPFUIJ-OLZOCXBDSA-N 1 1 318.377 1.997 20 5 DDBDMO O=C([C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000357937510 299025745 /nfs/dbraw/zinc/02/57/45/299025745.db2.gz WYPILQZYANJAFS-CYBMUJFWSA-N 1 1 321.381 1.126 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1csc([N+](=O)[O-])c1 ZINC000363143933 300219026 /nfs/dbraw/zinc/21/90/26/300219026.db2.gz OBEHSWREMNLQJW-GHMZBOCLSA-N 1 1 311.363 1.249 20 5 DDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367995229 300929617 /nfs/dbraw/zinc/92/96/17/300929617.db2.gz YFGCUBFWFYKKEF-JTQLQIEISA-N 1 1 315.276 1.283 20 5 DDBDMO Cc1c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cccc1[N+](=O)[O-] ZINC000368967056 301112924 /nfs/dbraw/zinc/11/29/24/301112924.db2.gz UOUXEVPBLJWGPG-GFCCVEGCSA-N 1 1 321.377 1.432 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000369473840 301189630 /nfs/dbraw/zinc/18/96/30/301189630.db2.gz UFPJXCZFQYOQHD-ZFWWWQNUSA-N 1 1 319.361 1.837 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000370045975 301265171 /nfs/dbraw/zinc/26/51/71/301265171.db2.gz OYQAFRJLKFVDQA-LBPRGKRZSA-N 1 1 316.365 1.657 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000370045975 301265173 /nfs/dbraw/zinc/26/51/73/301265173.db2.gz OYQAFRJLKFVDQA-LBPRGKRZSA-N 1 1 316.365 1.657 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000370591088 301369921 /nfs/dbraw/zinc/36/99/21/301369921.db2.gz WXPJEZNDHIQBPG-UHFFFAOYSA-N 1 1 306.366 1.794 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000370631124 301374559 /nfs/dbraw/zinc/37/45/59/301374559.db2.gz LJODJUCHDSAZEA-HNNXBMFYSA-N 1 1 305.334 1.315 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000378572445 302337830 /nfs/dbraw/zinc/33/78/30/302337830.db2.gz BPJBOASNXCEJRR-UHFFFAOYSA-N 1 1 321.381 1.607 20 5 DDBDMO Cn1c[nH+]cc1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000401729818 302373220 /nfs/dbraw/zinc/37/32/20/302373220.db2.gz AWPLKXZQZONWOA-UHFFFAOYSA-N 1 1 315.333 1.868 20 5 DDBDMO CC[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531026000 303225900 /nfs/dbraw/zinc/22/59/00/303225900.db2.gz SHBZZADJFVZNDX-RISCZKNCSA-N 1 1 317.345 1.959 20 5 DDBDMO Cc1cccc(N2CCC[N@@H+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000364638652 307049043 /nfs/dbraw/zinc/04/90/43/307049043.db2.gz RTSYICITOCNWTC-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO Cc1cccc(N2CCC[N@H+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000364638652 307049044 /nfs/dbraw/zinc/04/90/44/307049044.db2.gz RTSYICITOCNWTC-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000366652339 307078762 /nfs/dbraw/zinc/07/87/62/307078762.db2.gz KMPDFEYWEMVKTL-OCCSQVGLSA-N 1 1 317.349 1.626 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000564782568 308005695 /nfs/dbraw/zinc/00/56/95/308005695.db2.gz FPOHQTMVHGVUKZ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000564782568 308005697 /nfs/dbraw/zinc/00/56/97/308005697.db2.gz FPOHQTMVHGVUKZ-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C1NCC[C@]12CCC[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000575427389 308277125 /nfs/dbraw/zinc/27/71/25/308277125.db2.gz PYOCWAIRKBMDRX-OAHLLOKOSA-N 1 1 305.334 1.328 20 5 DDBDMO O=C1NCC[C@]12CCC[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000575427389 308277126 /nfs/dbraw/zinc/27/71/26/308277126.db2.gz PYOCWAIRKBMDRX-OAHLLOKOSA-N 1 1 305.334 1.328 20 5 DDBDMO C[C@H](CCN(C)C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460688 308316026 /nfs/dbraw/zinc/31/60/26/308316026.db2.gz XDXVCNRKCMJCMO-OCCSQVGLSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@H](CC[NH+](C)C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460688 308316027 /nfs/dbraw/zinc/31/60/27/308316027.db2.gz XDXVCNRKCMJCMO-OCCSQVGLSA-N 1 1 311.382 1.264 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000582616700 337115364 /nfs/dbraw/zinc/11/53/64/337115364.db2.gz PHIWMXRPJOZIRL-HNNXBMFYSA-N 1 1 311.385 1.862 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000211795249 490696310 /nfs/dbraw/zinc/69/63/10/490696310.db2.gz SULYBWSDWMNQSC-SREVYHEPSA-N 1 1 319.361 1.447 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299332000 534064408 /nfs/dbraw/zinc/06/44/08/534064408.db2.gz PWGGKHMRUMNOGT-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292839961 534320891 /nfs/dbraw/zinc/32/08/91/534320891.db2.gz UUHSWKFYHIZJMX-CYBMUJFWSA-N 1 1 307.350 1.136 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451646420 534321432 /nfs/dbraw/zinc/32/14/32/534321432.db2.gz FKBCFBVPJHNJAB-CYBMUJFWSA-N 1 1 309.391 1.584 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452393411 534334141 /nfs/dbraw/zinc/33/41/41/534334141.db2.gz SNAWSYIILAMRKX-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1ccnc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301244339 534402752 /nfs/dbraw/zinc/40/27/52/534402752.db2.gz ACKJJHHQAOAWTR-GFCCVEGCSA-N 1 1 321.381 1.298 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCC[N@H+](CCCO)C3)nc2c1 ZINC000295006586 534884073 /nfs/dbraw/zinc/88/40/73/534884073.db2.gz SAZSWNVOVMZRPG-NSHDSACASA-N 1 1 319.365 1.730 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000459597676 528035992 /nfs/dbraw/zinc/03/59/92/528035992.db2.gz OUWVUZNJHSQZAU-UHFFFAOYSA-N 1 1 313.329 1.747 20 5 DDBDMO CC(C)[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293086719 528626723 /nfs/dbraw/zinc/62/67/23/528626723.db2.gz KCUWDZMBSDALJX-HNNXBMFYSA-N 1 1 321.377 1.370 20 5 DDBDMO CC(C)[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000459473944 528867709 /nfs/dbraw/zinc/86/77/09/528867709.db2.gz DPLXVKFZIJQAQS-CQSZACIVSA-N 1 1 305.338 1.461 20 5 DDBDMO Cc1c(C(=O)NCC[N@H+](C)C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101955496 696609504 /nfs/dbraw/zinc/60/95/04/696609504.db2.gz JRUMXXAVTVLEDE-UHFFFAOYSA-N 1 1 324.337 1.881 20 5 DDBDMO O=C(CC[N@H+]1CCC2(C1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000104082992 696618112 /nfs/dbraw/zinc/61/81/12/696618112.db2.gz DFIQHBVTWNRINC-UHFFFAOYSA-N 1 1 321.333 1.372 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000773369020 697750924 /nfs/dbraw/zinc/75/09/24/697750924.db2.gz GOHFWRZTSHRRKR-UHFFFAOYSA-N 1 1 322.321 1.669 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1(C)C ZINC000773369020 697750926 /nfs/dbraw/zinc/75/09/26/697750926.db2.gz GOHFWRZTSHRRKR-UHFFFAOYSA-N 1 1 322.321 1.669 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000773371375 697751494 /nfs/dbraw/zinc/75/14/94/697751494.db2.gz VYUXLBIELZVYHU-UHFFFAOYSA-N 1 1 320.393 1.827 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000773371375 697751495 /nfs/dbraw/zinc/75/14/95/697751495.db2.gz VYUXLBIELZVYHU-UHFFFAOYSA-N 1 1 320.393 1.827 20 5 DDBDMO C[NH+]1CCC2(CCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000780545959 698530120 /nfs/dbraw/zinc/53/01/20/698530120.db2.gz BEHDPZGEHXGCAP-UHFFFAOYSA-N 1 1 305.334 1.611 20 5 DDBDMO Cc1nccnc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000783243629 698824163 /nfs/dbraw/zinc/82/41/63/698824163.db2.gz ONGVXCKJVUBETB-NSHDSACASA-N 1 1 315.333 1.983 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000729529337 699481737 /nfs/dbraw/zinc/48/17/37/699481737.db2.gz RNYHHSVENKTLKV-LLVKDONJSA-N 1 1 315.333 1.875 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000790679151 699591360 /nfs/dbraw/zinc/59/13/60/699591360.db2.gz SWGWABALMOPUOZ-JTQLQIEISA-N 1 1 307.350 1.688 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000790679151 699591362 /nfs/dbraw/zinc/59/13/62/699591362.db2.gz SWGWABALMOPUOZ-JTQLQIEISA-N 1 1 307.350 1.688 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)C3CC3)n2)c1 ZINC000763062119 700923167 /nfs/dbraw/zinc/92/31/67/700923167.db2.gz AHFGGBHVXAQUEV-GFCCVEGCSA-N 1 1 304.306 1.505 20 5 DDBDMO COCC[N@H+]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804353057 701181631 /nfs/dbraw/zinc/18/16/31/701181631.db2.gz FHMBJCIMZDZIFQ-UHFFFAOYSA-N 1 1 324.337 1.662 20 5 DDBDMO COc1cccc(N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000772070904 701342811 /nfs/dbraw/zinc/34/28/11/701342811.db2.gz WWNZRHGQRKPDIA-UHFFFAOYSA-N 1 1 317.349 1.664 20 5 DDBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839703452 701790431 /nfs/dbraw/zinc/79/04/31/701790431.db2.gz DLTNIGJPYKEMCF-RBSFLKMASA-N 1 1 303.362 1.385 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839703452 701790435 /nfs/dbraw/zinc/79/04/35/701790435.db2.gz DLTNIGJPYKEMCF-RBSFLKMASA-N 1 1 303.362 1.385 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839703452 701790440 /nfs/dbraw/zinc/79/04/40/701790440.db2.gz DLTNIGJPYKEMCF-RBSFLKMASA-N 1 1 303.362 1.385 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000810614155 701801013 /nfs/dbraw/zinc/80/10/13/701801013.db2.gz BOCCXIUQTBXWNY-JTQLQIEISA-N 1 1 321.337 1.663 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000868029406 701900002 /nfs/dbraw/zinc/90/00/02/701900002.db2.gz JUGOFNWMXIZJQS-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C[C@H](C)[N@@H+]1C ZINC000840089885 701961916 /nfs/dbraw/zinc/96/19/16/701961916.db2.gz KGMLEGMDJXIQEC-PHIMTYICSA-N 1 1 320.349 1.485 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C[C@H]1C ZINC000840123116 701981879 /nfs/dbraw/zinc/98/18/79/701981879.db2.gz KRTSZPWPDZINSY-YGRLFVJLSA-N 1 1 319.365 1.962 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000879262750 706633691 /nfs/dbraw/zinc/63/36/91/706633691.db2.gz ZIIGSPRBXDKZJZ-RRFJBIMHSA-N 1 1 310.350 1.100 20 5 DDBDMO CC(C)(NC(=O)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000817038653 702258532 /nfs/dbraw/zinc/25/85/32/702258532.db2.gz YLNYNJRVMWWLIN-UHFFFAOYSA-N 1 1 321.377 1.668 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841012122 702310204 /nfs/dbraw/zinc/31/02/04/702310204.db2.gz ZUXBGXPUXCOUHQ-UHFFFAOYSA-N 1 1 308.672 1.964 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017220 702555187 /nfs/dbraw/zinc/55/51/87/702555187.db2.gz XTTUQWFASWGBBG-OAHLLOKOSA-N 1 1 315.333 1.439 20 5 DDBDMO O=C1CC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(=O)N1 ZINC000831538571 706728081 /nfs/dbraw/zinc/72/80/81/706728081.db2.gz FEQNXDSZNFNWOX-TZMCWYRMSA-N 1 1 317.345 1.579 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534768 704070012 /nfs/dbraw/zinc/07/00/12/704070012.db2.gz PNXFOWLMAUMQOX-BXUZGUMPSA-N 1 1 307.306 1.971 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000852534768 704070015 /nfs/dbraw/zinc/07/00/15/704070015.db2.gz PNXFOWLMAUMQOX-BXUZGUMPSA-N 1 1 307.306 1.971 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000852664833 704096067 /nfs/dbraw/zinc/09/60/67/704096067.db2.gz DNQGDSFIORBDOF-NWDGAFQWSA-N 1 1 307.306 1.971 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852695530 704101489 /nfs/dbraw/zinc/10/14/89/704101489.db2.gz AKLUASHTLRPSKU-KWCYVHTRSA-N 1 1 308.334 1.512 20 5 DDBDMO Cn1cc(Cl)c(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819346625 704110930 /nfs/dbraw/zinc/11/09/30/704110930.db2.gz HABLMQURBPQTBT-CYBMUJFWSA-N 1 1 310.741 1.805 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000870874380 704153171 /nfs/dbraw/zinc/15/31/71/704153171.db2.gz IVGVBGLNBOHXBP-BDJLRTHQSA-N 1 1 321.377 1.795 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834293 705191859 /nfs/dbraw/zinc/19/18/59/705191859.db2.gz QWBCFIGOYMITMK-KBPBESRZSA-N 1 1 304.350 1.486 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000874834296 705192243 /nfs/dbraw/zinc/19/22/43/705192243.db2.gz QWBCFIGOYMITMK-ZIAGYGMSSA-N 1 1 304.350 1.486 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839118 705194861 /nfs/dbraw/zinc/19/48/61/705194861.db2.gz TUIMWCDHTLGSAI-QWHCGFSZSA-N 1 1 318.377 1.794 20 5 DDBDMO CCC[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825688496 705714659 /nfs/dbraw/zinc/71/46/59/705714659.db2.gz MIENZSOVSVJXOH-CQSZACIVSA-N 1 1 307.350 1.182 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720292 706188619 /nfs/dbraw/zinc/18/86/19/706188619.db2.gz NFRZRGFBHAZIHK-RWBPYIHSSA-N 1 1 315.329 1.155 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877752053 706199550 /nfs/dbraw/zinc/19/95/50/706199550.db2.gz LZJDGKLJJXMRQX-ZDUSSCGKSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877752053 706199553 /nfs/dbraw/zinc/19/95/53/706199553.db2.gz LZJDGKLJJXMRQX-ZDUSSCGKSA-N 1 1 322.361 1.974 20 5 DDBDMO Cn1nnnc1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000877781728 706209430 /nfs/dbraw/zinc/20/94/30/706209430.db2.gz PUPKYFDOYPTTJC-UHFFFAOYSA-N 1 1 308.367 1.559 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000877892710 706233373 /nfs/dbraw/zinc/23/33/73/706233373.db2.gz CKHQCDFIYVNJEA-LLVKDONJSA-N 1 1 308.338 1.819 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880050600 706864149 /nfs/dbraw/zinc/86/41/49/706864149.db2.gz CXUSBUDTCGFVJQ-SNVBAGLBSA-N 1 1 322.287 1.753 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880050600 706864152 /nfs/dbraw/zinc/86/41/52/706864152.db2.gz CXUSBUDTCGFVJQ-SNVBAGLBSA-N 1 1 322.287 1.753 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C(C)(C)C ZINC000880614545 707042770 /nfs/dbraw/zinc/04/27/70/707042770.db2.gz WPXILMHJLPXJFQ-CYBMUJFWSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000837611759 707695688 /nfs/dbraw/zinc/69/56/88/707695688.db2.gz GMNCJPJTUQDVIP-NSHDSACASA-N 1 1 310.354 1.748 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000883078283 707919949 /nfs/dbraw/zinc/91/99/49/707919949.db2.gz MDWNEQRMTNDDAZ-AWEZNQCLSA-N 1 1 321.381 1.400 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000883372850 707986039 /nfs/dbraw/zinc/98/60/39/707986039.db2.gz QFOGLHLWOXEMDT-CYBMUJFWSA-N 1 1 322.365 1.367 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897218460 708256381 /nfs/dbraw/zinc/25/63/81/708256381.db2.gz CUFOEWYKWTUBCP-QWHCGFSZSA-N 1 1 323.397 1.155 20 5 DDBDMO CCCNC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885938007 708666714 /nfs/dbraw/zinc/66/67/14/708666714.db2.gz PCZUFBNEWYADMC-UHFFFAOYSA-N 1 1 306.366 1.728 20 5 DDBDMO CCOC(=O)[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC12COC2 ZINC000886220885 708718030 /nfs/dbraw/zinc/71/80/30/708718030.db2.gz OVFXXJIQSVDNEI-GFCCVEGCSA-N 1 1 321.333 1.001 20 5 DDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC12COC2 ZINC000886220885 708718032 /nfs/dbraw/zinc/71/80/32/708718032.db2.gz OVFXXJIQSVDNEI-GFCCVEGCSA-N 1 1 321.333 1.001 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593764 708785407 /nfs/dbraw/zinc/78/54/07/708785407.db2.gz ZEDMTKURQILELG-LLVKDONJSA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593764 708785409 /nfs/dbraw/zinc/78/54/09/708785409.db2.gz ZEDMTKURQILELG-LLVKDONJSA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593764 708785411 /nfs/dbraw/zinc/78/54/11/708785411.db2.gz ZEDMTKURQILELG-LLVKDONJSA-N 1 1 309.370 1.429 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593764 708785414 /nfs/dbraw/zinc/78/54/14/708785414.db2.gz ZEDMTKURQILELG-LLVKDONJSA-N 1 1 309.370 1.429 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739803 713079478 /nfs/dbraw/zinc/07/94/78/713079478.db2.gz HQIDKFGNWOXHQI-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739803 713079480 /nfs/dbraw/zinc/07/94/80/713079480.db2.gz HQIDKFGNWOXHQI-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000887934770 709170770 /nfs/dbraw/zinc/17/07/70/709170770.db2.gz UFDGYQFZMOHGEA-BMIGLBTASA-N 1 1 307.325 1.758 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103549 713131854 /nfs/dbraw/zinc/13/18/54/713131854.db2.gz RGHPDJVSVAXOQP-UONOGXRCSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103549 713131856 /nfs/dbraw/zinc/13/18/56/713131856.db2.gz RGHPDJVSVAXOQP-UONOGXRCSA-N 1 1 321.402 1.904 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000900968696 709854054 /nfs/dbraw/zinc/85/40/54/709854054.db2.gz WRMDPUMODKBGAS-NORZTCDRSA-N 1 1 321.377 1.536 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910286603 709867046 /nfs/dbraw/zinc/86/70/46/709867046.db2.gz HICPOSWXEFAJJG-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000891652291 710257565 /nfs/dbraw/zinc/25/75/65/710257565.db2.gz ICCRWTHMMCOUOR-PHIMTYICSA-N 1 1 311.386 1.628 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000891652291 710257566 /nfs/dbraw/zinc/25/75/66/710257566.db2.gz ICCRWTHMMCOUOR-PHIMTYICSA-N 1 1 311.386 1.628 20 5 DDBDMO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC)cc([N+](=O)[O-])c1 ZINC000903209001 711066015 /nfs/dbraw/zinc/06/60/15/711066015.db2.gz DDHWHSWYRYJWII-NXEZZACHSA-N 1 1 311.338 1.662 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000928559274 713226660 /nfs/dbraw/zinc/22/66/60/713226660.db2.gz WXXWLSZPQLDJCH-VIFPVBQESA-N 1 1 315.276 1.630 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000928559274 713226661 /nfs/dbraw/zinc/22/66/61/713226661.db2.gz WXXWLSZPQLDJCH-VIFPVBQESA-N 1 1 315.276 1.630 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000895635981 711565725 /nfs/dbraw/zinc/56/57/25/711565725.db2.gz PXMQMQUFGBYNFH-BLLLJJGKSA-N 1 1 322.361 1.903 20 5 DDBDMO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896554416 711749858 /nfs/dbraw/zinc/74/98/58/711749858.db2.gz FLPQDDBXTWJUFP-HZMBPMFUSA-N 1 1 324.356 1.098 20 5 DDBDMO CCOCCOCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929245998 713575319 /nfs/dbraw/zinc/57/53/19/713575319.db2.gz CVUSRHVUVATNAQ-UHFFFAOYSA-N 1 1 323.393 1.770 20 5 DDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000930242416 713785111 /nfs/dbraw/zinc/78/51/11/713785111.db2.gz VMGUFYUBOVIQMK-CYBMUJFWSA-N 1 1 301.350 1.928 20 5 DDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000930242416 713785113 /nfs/dbraw/zinc/78/51/13/713785113.db2.gz VMGUFYUBOVIQMK-CYBMUJFWSA-N 1 1 301.350 1.928 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCCC1 ZINC000930440442 713835228 /nfs/dbraw/zinc/83/52/28/713835228.db2.gz MQXQWZCXLYYZFG-HNNXBMFYSA-N 1 1 308.378 1.735 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCCC1 ZINC000930440444 713835327 /nfs/dbraw/zinc/83/53/27/713835327.db2.gz MQXQWZCXLYYZFG-OAHLLOKOSA-N 1 1 308.378 1.735 20 5 DDBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000076 /nfs/dbraw/zinc/00/00/76/714000076.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 1 1 322.409 1.652 20 5 DDBDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095197 714000300 /nfs/dbraw/zinc/00/03/00/714000300.db2.gz WYCXBPYDMUSYFA-HNNXBMFYSA-N 1 1 308.382 1.263 20 5 DDBDMO C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438999 714098136 /nfs/dbraw/zinc/09/81/36/714098136.db2.gz MGMQUSBUTDCVHD-YCPHGPKFSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438999 714098143 /nfs/dbraw/zinc/09/81/43/714098143.db2.gz MGMQUSBUTDCVHD-YCPHGPKFSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438999 714098144 /nfs/dbraw/zinc/09/81/44/714098144.db2.gz MGMQUSBUTDCVHD-YCPHGPKFSA-N 1 1 305.378 1.512 20 5 DDBDMO CCO[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000932979084 714448249 /nfs/dbraw/zinc/44/82/49/714448249.db2.gz FSEYOOSRCGHGRP-HIFRSBDPSA-N 1 1 310.350 1.445 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000933165884 714526450 /nfs/dbraw/zinc/52/64/50/714526450.db2.gz OUHRHFNLSFQGGI-ZYHUDNBSSA-N 1 1 310.354 1.373 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)c1 ZINC000933677971 714646195 /nfs/dbraw/zinc/64/61/95/714646195.db2.gz SERZTNXEOSAVJB-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@H]2CCCO2)c1 ZINC000933677971 714646196 /nfs/dbraw/zinc/64/61/96/714646196.db2.gz SERZTNXEOSAVJB-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2C[C@@H]2CCCO2)n1 ZINC000933682113 714647305 /nfs/dbraw/zinc/64/73/05/714647305.db2.gz OMMSDXQRUWEYBV-OLZOCXBDSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2C[C@@H]2CCCO2)n1 ZINC000933682113 714647306 /nfs/dbraw/zinc/64/73/06/714647306.db2.gz OMMSDXQRUWEYBV-OLZOCXBDSA-N 1 1 310.354 1.061 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933913350 714700734 /nfs/dbraw/zinc/70/07/34/714700734.db2.gz BJAZEUOXMAKSPM-CQSZACIVSA-N 1 1 323.418 1.974 20 5 DDBDMO Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271496 714782365 /nfs/dbraw/zinc/78/23/65/714782365.db2.gz HFENQDOAEIMLST-CVEARBPZSA-N 1 1 319.405 1.934 20 5 DDBDMO Cn1cc(C[N@@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000934432887 714820095 /nfs/dbraw/zinc/82/00/95/714820095.db2.gz YYXAXUQFWXHMOZ-UKRRQHHQSA-N 1 1 316.361 1.364 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925343011 714820480 /nfs/dbraw/zinc/82/04/80/714820480.db2.gz KVTHVQZDCIDNMQ-OCCSQVGLSA-N 1 1 320.393 1.871 20 5 DDBDMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001025775802 736853331 /nfs/dbraw/zinc/85/33/31/736853331.db2.gz NCWSTRIMRXBBPM-RGDJUOJXSA-N 1 1 321.402 1.268 20 5 DDBDMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001025775802 736853333 /nfs/dbraw/zinc/85/33/33/736853333.db2.gz NCWSTRIMRXBBPM-RGDJUOJXSA-N 1 1 321.402 1.268 20 5 DDBDMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001025775802 736853335 /nfs/dbraw/zinc/85/33/35/736853335.db2.gz NCWSTRIMRXBBPM-RGDJUOJXSA-N 1 1 321.402 1.268 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000894623327 740327793 /nfs/dbraw/zinc/32/77/93/740327793.db2.gz OMCSQICIQLLHCK-ZDUSSCGKSA-N 1 1 322.365 1.034 20 5 DDBDMO NC(=[NH2+])N(c1ccc(F)cc1)c1cc([N+](=O)[O-])c2nncn2c1 ZINC001167994401 740438754 /nfs/dbraw/zinc/43/87/54/740438754.db2.gz JOSSJSJTVLGKMR-UHFFFAOYSA-N 1 1 315.268 1.808 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029305208 740551403 /nfs/dbraw/zinc/55/14/03/740551403.db2.gz UUAXMOSZFVFTTR-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001029305208 740551408 /nfs/dbraw/zinc/55/14/08/740551408.db2.gz UUAXMOSZFVFTTR-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001029305208 740551410 /nfs/dbraw/zinc/55/14/10/740551410.db2.gz UUAXMOSZFVFTTR-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO C[N@H+]1C[C@@]23CN(c4ncc([N+](=O)[O-])c(N)n4)C[C@]2(C1)CCCC3 ZINC001187921372 744635646 /nfs/dbraw/zinc/63/56/46/744635646.db2.gz SUHPXSVKNPKVSR-GASCZTMLSA-N 1 1 318.381 1.279 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C1CC1 ZINC001191487273 745520235 /nfs/dbraw/zinc/52/02/35/745520235.db2.gz YZKZTXMSSYBIAI-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)C1CC1 ZINC001191487273 745520238 /nfs/dbraw/zinc/52/02/38/745520238.db2.gz YZKZTXMSSYBIAI-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035714 762191710 /nfs/dbraw/zinc/19/17/10/762191710.db2.gz LGZDZDYTFSIANP-QNSTZXKLSA-N 1 1 312.366 1.084 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035714 762191713 /nfs/dbraw/zinc/19/17/13/762191713.db2.gz LGZDZDYTFSIANP-QNSTZXKLSA-N 1 1 312.366 1.084 20 5 DDBDMO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023549 762201114 /nfs/dbraw/zinc/20/11/14/762201114.db2.gz OYWUCPYYTJYXPR-GRYWWWGRSA-N 1 1 321.421 1.668 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138984 760613122 /nfs/dbraw/zinc/61/31/22/760613122.db2.gz LCCRMVDPWWDFJC-DDHJBXDOSA-N 1 1 324.768 1.137 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082893 760943385 /nfs/dbraw/zinc/94/33/85/760943385.db2.gz GYYHEMQMAVEMDK-FAAHXZRKSA-N 1 1 321.352 1.475 20 5 DDBDMO O=C(NCC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001395444 762821493 /nfs/dbraw/zinc/82/14/93/762821493.db2.gz MMVMYOJYZVFHNM-HUUCEWRRSA-N 1 1 318.377 1.075 20 5 DDBDMO CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001157767013 766563820 /nfs/dbraw/zinc/56/38/20/766563820.db2.gz DEVSBOMAWYLBHG-ZIAGYGMSSA-N 1 1 311.426 1.964 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(C)(C)C1CCC1 ZINC001131941239 768499647 /nfs/dbraw/zinc/49/96/47/768499647.db2.gz ZAHSOSSOFBELFW-UHFFFAOYSA-N 1 1 323.397 1.360 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001136839751 772170473 /nfs/dbraw/zinc/17/04/73/772170473.db2.gz SPPPJOUHMQTPMU-SNVBAGLBSA-N 1 1 308.338 1.109 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907598 776918203 /nfs/dbraw/zinc/91/82/03/776918203.db2.gz GYVBLTOAYUESMD-ZFWWWQNUSA-N 1 1 303.362 1.792 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCN1CCN(C)CC1 ZINC001173217062 777049108 /nfs/dbraw/zinc/04/91/08/777049108.db2.gz OXVXSLCVEFTXAJ-HNNXBMFYSA-N 1 1 320.437 1.753 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC001116445204 780510068 /nfs/dbraw/zinc/51/00/68/780510068.db2.gz QAPKZHKOTJHMBK-LLVKDONJSA-N 1 1 302.338 1.708 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC001116445204 780510072 /nfs/dbraw/zinc/51/00/72/780510072.db2.gz QAPKZHKOTJHMBK-LLVKDONJSA-N 1 1 302.338 1.708 20 5 DDBDMO C[N@H+](CCNC(=O)c1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC001266253160 835991545 /nfs/dbraw/zinc/99/15/45/835991545.db2.gz OLSZFWAEQGSXIH-UHFFFAOYSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC001266253160 835991547 /nfs/dbraw/zinc/99/15/47/835991547.db2.gz OLSZFWAEQGSXIH-UHFFFAOYSA-N 1 1 315.333 1.247 20 5 DDBDMO COCCCC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001268546971 840429170 /nfs/dbraw/zinc/42/91/70/840429170.db2.gz LVZVKFLFCADCNG-UHFFFAOYSA-N 1 1 321.377 1.569 20 5 DDBDMO CC(C)(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072724819 857642071 /nfs/dbraw/zinc/64/20/71/857642071.db2.gz FTATVXIUIGPTOZ-CHWSQXEVSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072724819 857642075 /nfs/dbraw/zinc/64/20/75/857642075.db2.gz FTATVXIUIGPTOZ-CHWSQXEVSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072724819 857642078 /nfs/dbraw/zinc/64/20/78/857642078.db2.gz FTATVXIUIGPTOZ-CHWSQXEVSA-N 1 1 309.410 1.622 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001122111975 858688954 /nfs/dbraw/zinc/68/89/54/858688954.db2.gz PWAOQURFPIUQHF-AWEZNQCLSA-N 1 1 320.393 1.921 20 5 DDBDMO CC(=O)CCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123479485 859252268 /nfs/dbraw/zinc/25/22/68/859252268.db2.gz CPSCXSWUOWNGIP-UHFFFAOYSA-N 1 1 313.379 1.621 20 5 DDBDMO COc1cc(C)nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1[N+](=O)[O-] ZINC001157266356 863695319 /nfs/dbraw/zinc/69/53/19/863695319.db2.gz RBEHOKKRAQEZAW-RYUDHWBXSA-N 1 1 306.366 1.837 20 5 DDBDMO Cc1nc(N[C@@H](C)C[N@H+](C)CCCN(C)C)ncc1[N+](=O)[O-] ZINC001330685257 864534703 /nfs/dbraw/zinc/53/47/03/864534703.db2.gz LNSXDSWCWHBYOT-NSHDSACASA-N 1 1 310.402 1.377 20 5 DDBDMO Cc1nc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncc1[N+](=O)[O-] ZINC001330685257 864534713 /nfs/dbraw/zinc/53/47/13/864534713.db2.gz LNSXDSWCWHBYOT-NSHDSACASA-N 1 1 310.402 1.377 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107142 865679782 /nfs/dbraw/zinc/67/97/82/865679782.db2.gz JSCVWLQTBMGITA-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO O=C(NCCC1=CC[N@H+](CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160107142 865679790 /nfs/dbraw/zinc/67/97/90/865679790.db2.gz JSCVWLQTBMGITA-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO O=C(NCCC1=CC[N@@H+](CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160107142 865679796 /nfs/dbraw/zinc/67/97/96/865679796.db2.gz JSCVWLQTBMGITA-HUUCEWRRSA-N 1 1 307.394 1.590 20 5 DDBDMO Cc1nc(NCC[NH+]2CCC(F)(F)CC2)ncc1[N+](=O)[O-] ZINC001160753377 866100217 /nfs/dbraw/zinc/10/02/17/866100217.db2.gz CITKRLZZJQJCTE-UHFFFAOYSA-N 1 1 301.297 1.836 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001161493745 866711532 /nfs/dbraw/zinc/71/15/32/866711532.db2.gz HDTDJIHJANMAFS-NSHDSACASA-N 1 1 321.381 1.185 20 5 DDBDMO [NH3+][C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)CCC1(F)F ZINC001164319624 869124127 /nfs/dbraw/zinc/12/41/27/869124127.db2.gz KYXLDRJOQLGDQK-LLVKDONJSA-N 1 1 309.276 1.711 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001165290400 869499062 /nfs/dbraw/zinc/49/90/62/869499062.db2.gz SPTDNBHTWVVREL-LLVKDONJSA-N 1 1 304.354 1.781 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001337836247 869651773 /nfs/dbraw/zinc/65/17/73/869651773.db2.gz OTYUDNUGSJGCBD-NILFDRSVSA-N 1 1 319.361 1.430 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)[C@@H](C)C1 ZINC001341741368 871799410 /nfs/dbraw/zinc/79/94/10/871799410.db2.gz DPSUNRURBOALAY-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)[C@@H](C)C1 ZINC001341741368 871799427 /nfs/dbraw/zinc/79/94/27/871799427.db2.gz DPSUNRURBOALAY-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO Cc1cc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC001344874907 873157312 /nfs/dbraw/zinc/15/73/12/873157312.db2.gz IHPKLVADFJJQTG-TXEJJXNPSA-N 1 1 304.350 1.929 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001347599881 874206474 /nfs/dbraw/zinc/20/64/74/874206474.db2.gz LWNNGFMJSUECTR-SWLSCSKDSA-N 1 1 322.413 1.099 20 5 DDBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095902 882831828 /nfs/dbraw/zinc/83/18/28/882831828.db2.gz MGDWHUKXWLAHRD-VIFPVBQESA-O 1 1 307.330 1.717 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001352294928 876682452 /nfs/dbraw/zinc/68/24/52/876682452.db2.gz QFZPOKUWFDQVCC-UHFFFAOYSA-N 1 1 324.429 1.428 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001352915741 877006240 /nfs/dbraw/zinc/00/62/40/877006240.db2.gz DJLQETHWDVNUFU-LBPRGKRZSA-N 1 1 319.365 1.422 20 5 DDBDMO N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCC[NH3+] ZINC001219870638 878555204 /nfs/dbraw/zinc/55/52/04/878555204.db2.gz NTIIXIZBZXFDEX-SFHVURJKSA-N 1 1 307.397 1.938 20 5 DDBDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230231463 884382034 /nfs/dbraw/zinc/38/20/34/884382034.db2.gz KKVKIWCBEQOFRM-WDAIWFPHSA-N 1 1 317.349 1.975 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246085801 892408338 /nfs/dbraw/zinc/40/83/38/892408338.db2.gz IZMYRNDSEVCMNT-HOTGVXAUSA-N 1 1 322.384 1.853 20 5 DDBDMO [NH3+]C[C@@]1(O)CCCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564302 892701816 /nfs/dbraw/zinc/70/18/16/892701816.db2.gz XHKYEOACEBKMRH-HOTGVXAUSA-N 1 1 305.378 1.238 20 5 DDBDMO CC[C@@](N)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469385 896455754 /nfs/dbraw/zinc/45/57/54/896455754.db2.gz LTHVKZOGYBALLJ-HNNXBMFYSA-N 1 1 308.382 1.211 20 5 DDBDMO CS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601273 896524768 /nfs/dbraw/zinc/52/47/68/896524768.db2.gz XGZGQMQVTBZCOU-ZIAGYGMSSA-N 1 1 310.375 1.181 20 5 DDBDMO CS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601273 896524779 /nfs/dbraw/zinc/52/47/79/896524779.db2.gz XGZGQMQVTBZCOU-ZIAGYGMSSA-N 1 1 310.375 1.181 20 5 DDBDMO CCc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814363 897611571 /nfs/dbraw/zinc/61/15/71/897611571.db2.gz NSIMVADBPQXVNY-TZMCWYRMSA-N 1 1 324.381 1.183 20 5 DDBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](CC[N+](=O)[O-])C[C@@H]21 ZINC001262256056 900055672 /nfs/dbraw/zinc/05/56/72/900055672.db2.gz DYEHYZDGVASTLZ-RWMBFGLXSA-N 1 1 313.398 1.888 20 5 DDBDMO C[N@H+]1C[C@@]23CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C[C@]2(C1)CCCC3 ZINC001262662204 900290950 /nfs/dbraw/zinc/29/09/50/900290950.db2.gz UIPMSKXWWUVDIU-IYBDPMFKSA-N 1 1 318.377 1.871 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001263074193 900482434 /nfs/dbraw/zinc/48/24/34/900482434.db2.gz ZQSAPGJGYPWFFI-IHRRRGAJSA-N 1 1 318.377 1.734 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000278364829 214119154 /nfs/dbraw/zinc/11/91/54/214119154.db2.gz HUTNRHDWPRLVOG-SNVBAGLBSA-N 1 1 323.397 1.683 20 5 DDBDMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543173 231122689 /nfs/dbraw/zinc/12/26/89/231122689.db2.gz BDKDARNXQCSYSH-PWSUYJOCSA-N 1 1 320.349 1.358 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000451624120 529798157 /nfs/dbraw/zinc/79/81/57/529798157.db2.gz MKXUFPLUBNGDHP-YGRLFVJLSA-N 1 1 301.350 1.607 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413232434 529810551 /nfs/dbraw/zinc/81/05/51/529810551.db2.gz NGHKJMSHALDTCA-NSHDSACASA-N 1 1 320.271 1.487 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266191720 282300909 /nfs/dbraw/zinc/30/09/09/282300909.db2.gz MMRWKOBSPZODQD-AWEZNQCLSA-N 1 1 305.378 1.938 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458180750 232269107 /nfs/dbraw/zinc/26/91/07/232269107.db2.gz ZAOAVZBBGVOJHH-LBPRGKRZSA-N 1 1 306.366 1.760 20 5 DDBDMO C[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272604832 210003504 /nfs/dbraw/zinc/00/35/04/210003504.db2.gz VTGMKUPROGZUAN-UHFFFAOYSA-N 1 1 313.304 1.851 20 5 DDBDMO C[N@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272604832 210003507 /nfs/dbraw/zinc/00/35/07/210003507.db2.gz VTGMKUPROGZUAN-UHFFFAOYSA-N 1 1 313.304 1.851 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279785207 215143268 /nfs/dbraw/zinc/14/32/68/215143268.db2.gz UWXOSIBUIBNCBP-BBRMVZONSA-N 1 1 323.393 1.281 20 5 DDBDMO CCOC1CC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000287000835 219263777 /nfs/dbraw/zinc/26/37/77/219263777.db2.gz QBKCTQBSSWMQDW-NPCAHTBFSA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000265988618 186350490 /nfs/dbraw/zinc/35/04/90/186350490.db2.gz MCRHJEZBCNONIT-LLVKDONJSA-N 1 1 307.354 1.184 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000617352631 363066761 /nfs/dbraw/zinc/06/67/61/363066761.db2.gz JAILZQAVGAUBSM-LBPRGKRZSA-N 1 1 319.361 1.818 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000026342622 352207810 /nfs/dbraw/zinc/20/78/10/352207810.db2.gz JVKGOCHMARDGOO-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C)C1 ZINC000026342622 352207812 /nfs/dbraw/zinc/20/78/12/352207812.db2.gz JVKGOCHMARDGOO-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)CC2)c2c(c1)COCO2 ZINC000046091301 352436996 /nfs/dbraw/zinc/43/69/96/352436996.db2.gz BVLBVAWABQNZLP-UHFFFAOYSA-N 1 1 308.334 1.666 20 5 DDBDMO COc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057719406 352825826 /nfs/dbraw/zinc/82/58/26/352825826.db2.gz FXRFCIXWYWMHHG-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000060380145 352870033 /nfs/dbraw/zinc/87/00/33/352870033.db2.gz MDJQUGRPNNZXJH-ZDUSSCGKSA-N 1 1 307.398 1.675 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000069475540 353161986 /nfs/dbraw/zinc/16/19/86/353161986.db2.gz IFIPFSOOIMOGSN-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000074726075 353327204 /nfs/dbraw/zinc/32/72/04/353327204.db2.gz BKXYGDOAIZAATQ-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000076991784 353447158 /nfs/dbraw/zinc/44/71/58/353447158.db2.gz LGFMKRMXAKSBRL-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174809290 198387790 /nfs/dbraw/zinc/38/77/90/198387790.db2.gz RCDXYNRODRTKOP-CYBMUJFWSA-N 1 1 318.333 1.563 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCN(C)C)CC1 ZINC000080611828 353618202 /nfs/dbraw/zinc/61/82/02/353618202.db2.gz PXHKPAGAJQNQLU-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CCN(C)C)CC1 ZINC000080611828 353618207 /nfs/dbraw/zinc/61/82/07/353618207.db2.gz PXHKPAGAJQNQLU-UHFFFAOYSA-N 1 1 306.410 1.977 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265529 353763503 /nfs/dbraw/zinc/76/35/03/353763503.db2.gz JCWQSDFUPDQIFZ-GFCCVEGCSA-N 1 1 307.350 1.668 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000142976410 354146856 /nfs/dbraw/zinc/14/68/56/354146856.db2.gz DGZGOHQYWOZCRA-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154685803 354207375 /nfs/dbraw/zinc/20/73/75/354207375.db2.gz HTJOYPOEBNDORL-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000154685803 354207379 /nfs/dbraw/zinc/20/73/79/354207379.db2.gz HTJOYPOEBNDORL-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369405 354224439 /nfs/dbraw/zinc/22/44/39/354224439.db2.gz LVHPFGXRKVIJEU-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369405 354224443 /nfs/dbraw/zinc/22/44/43/354224443.db2.gz LVHPFGXRKVIJEU-RISCZKNCSA-N 1 1 307.350 1.352 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346192522 283017372 /nfs/dbraw/zinc/01/73/72/283017372.db2.gz NLMHDWPAINVCFG-DCAQKATOSA-N 1 1 307.354 1.120 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000322570963 354537647 /nfs/dbraw/zinc/53/76/47/354537647.db2.gz FUMKGRKYHOUMSJ-STQMWFEESA-N 1 1 318.377 1.993 20 5 DDBDMO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405243341 354677967 /nfs/dbraw/zinc/67/79/67/354677967.db2.gz XONCDGIGPZSKNX-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000590548465 355110819 /nfs/dbraw/zinc/11/08/19/355110819.db2.gz FBVBGUNVRJWQIY-OLZOCXBDSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590446889 355099239 /nfs/dbraw/zinc/09/92/39/355099239.db2.gz WVSFCDSZUZUFFU-OCCSQVGLSA-N 1 1 319.361 1.526 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000591510742 355323017 /nfs/dbraw/zinc/32/30/17/355323017.db2.gz GADNKSURVSCSTA-SWLSCSKDSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000591510742 355323020 /nfs/dbraw/zinc/32/30/20/355323020.db2.gz GADNKSURVSCSTA-SWLSCSKDSA-N 1 1 321.377 1.661 20 5 DDBDMO CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592247153 355547039 /nfs/dbraw/zinc/54/70/39/355547039.db2.gz SJQGRYPDKDTFAQ-LLVKDONJSA-N 1 1 307.354 1.360 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000593019643 355770922 /nfs/dbraw/zinc/77/09/22/355770922.db2.gz IFQKHHHYXJFMSE-ZDUSSCGKSA-N 1 1 323.349 1.242 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593108010 355800891 /nfs/dbraw/zinc/80/08/91/355800891.db2.gz STKPXDNRAJWSEI-NSHDSACASA-N 1 1 309.366 1.935 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCF ZINC000595040804 356375936 /nfs/dbraw/zinc/37/59/36/356375936.db2.gz XWBNLDADXVHTAV-ZJUUUORDSA-N 1 1 313.329 1.728 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000081362764 192256848 /nfs/dbraw/zinc/25/68/48/192256848.db2.gz UIUOFNCWMXWGAW-CYBMUJFWSA-N 1 1 323.397 1.290 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595742452 356631616 /nfs/dbraw/zinc/63/16/16/356631616.db2.gz GOZQKZSFLSYNOP-RYUDHWBXSA-N 1 1 321.377 1.790 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756416 356639045 /nfs/dbraw/zinc/63/90/45/356639045.db2.gz GJXQWCQHLPXKMF-XHDPSFHLSA-N 1 1 308.334 1.439 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872682 356686920 /nfs/dbraw/zinc/68/69/20/356686920.db2.gz KQFWZSHIPVPKLP-WBMJQRKESA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872682 356686924 /nfs/dbraw/zinc/68/69/24/356686924.db2.gz KQFWZSHIPVPKLP-WBMJQRKESA-N 1 1 321.377 1.508 20 5 DDBDMO C[NH+](C)CCC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595907154 356700687 /nfs/dbraw/zinc/70/06/87/356700687.db2.gz REDHPRKNCMTZAX-HNNXBMFYSA-N 1 1 323.393 1.843 20 5 DDBDMO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000596420134 356873209 /nfs/dbraw/zinc/87/32/09/356873209.db2.gz XEPQBVFKNHBYKC-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO CC(C)(C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596271106 356839777 /nfs/dbraw/zinc/83/97/77/356839777.db2.gz KIJAEDWIVRVONG-UHFFFAOYSA-N 1 1 322.365 1.216 20 5 DDBDMO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596285543 356845364 /nfs/dbraw/zinc/84/53/64/356845364.db2.gz NQZUZOBAMUSGEO-VIFPVBQESA-N 1 1 311.363 1.116 20 5 DDBDMO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596285543 356845367 /nfs/dbraw/zinc/84/53/67/356845367.db2.gz NQZUZOBAMUSGEO-VIFPVBQESA-N 1 1 311.363 1.116 20 5 DDBDMO Cc1cnc(N[C@@H](C)C[N@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC000596360428 356863534 /nfs/dbraw/zinc/86/35/34/356863534.db2.gz KKVFGZYPTNAOOZ-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1cnc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC000596360428 356863537 /nfs/dbraw/zinc/86/35/37/356863537.db2.gz KKVFGZYPTNAOOZ-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597922937 357382589 /nfs/dbraw/zinc/38/25/89/357382589.db2.gz HEHQTSLPPCTRTM-LLVKDONJSA-N 1 1 309.370 1.170 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000598342506 357545970 /nfs/dbraw/zinc/54/59/70/357545970.db2.gz OCWWWLZGKKAOOX-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO COC(=O)c1ccnc(NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000598592795 357645293 /nfs/dbraw/zinc/64/52/93/357645293.db2.gz NFYWTOABGQUJHH-NSHDSACASA-N 1 1 322.365 1.919 20 5 DDBDMO COC(=O)c1ccnc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000598627425 357660875 /nfs/dbraw/zinc/66/08/75/357660875.db2.gz PYRKGRUNHCLYLY-HNNXBMFYSA-N 1 1 320.349 1.308 20 5 DDBDMO C[C@H]1CCCN1C(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788940 283277735 /nfs/dbraw/zinc/27/77/35/283277735.db2.gz KMUVNKVVGLDORD-LBPRGKRZSA-N 1 1 318.377 1.749 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599565998 357975707 /nfs/dbraw/zinc/97/57/07/357975707.db2.gz BBUPFEQEEALGLH-HNNXBMFYSA-N 1 1 324.333 1.238 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632391 357998712 /nfs/dbraw/zinc/99/87/12/357998712.db2.gz IIXWGNIOZSORMD-IFMYKAFSSA-N 1 1 324.402 1.959 20 5 DDBDMO C[C@]1(CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000599624903 357997129 /nfs/dbraw/zinc/99/71/29/357997129.db2.gz YMQGWCYQHSGDFF-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO C[C@]1(CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(C)CO ZINC000599624903 357997132 /nfs/dbraw/zinc/99/71/32/357997132.db2.gz YMQGWCYQHSGDFF-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000180552980 199175044 /nfs/dbraw/zinc/17/50/44/199175044.db2.gz SJGVEADVJFORGG-LLVKDONJSA-N 1 1 321.381 1.422 20 5 DDBDMO C[N@H+]1CCCN(CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109938 358405446 /nfs/dbraw/zinc/40/54/46/358405446.db2.gz WSEYAMIQMDYXBR-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO CN1CCC[N@H+](CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109938 358405451 /nfs/dbraw/zinc/40/54/51/358405451.db2.gz WSEYAMIQMDYXBR-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO CN1CCC[N@@H+](CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109938 358405455 /nfs/dbraw/zinc/40/54/55/358405455.db2.gz WSEYAMIQMDYXBR-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137119 358417093 /nfs/dbraw/zinc/41/70/93/358417093.db2.gz TVBJAUHYINMSQL-JGVFFNPUSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601137119 358417095 /nfs/dbraw/zinc/41/70/95/358417095.db2.gz TVBJAUHYINMSQL-JGVFFNPUSA-N 1 1 321.303 1.876 20 5 DDBDMO CCn1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149863 358422040 /nfs/dbraw/zinc/42/20/40/358422040.db2.gz QWZWVHDJEFILFH-OAHLLOKOSA-N 1 1 304.350 1.809 20 5 DDBDMO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000601150110 358422697 /nfs/dbraw/zinc/42/26/97/358422697.db2.gz WHPMIOILKLYEPC-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO CC(=O)N[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601175868 358433632 /nfs/dbraw/zinc/43/36/32/358433632.db2.gz RBNOIJVYUONKRO-NSHDSACASA-N 1 1 300.318 1.858 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975538 358761888 /nfs/dbraw/zinc/76/18/88/358761888.db2.gz XLKPVYWPCLGLJW-TXEJJXNPSA-N 1 1 305.334 1.420 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975538 358761889 /nfs/dbraw/zinc/76/18/89/358761889.db2.gz XLKPVYWPCLGLJW-TXEJJXNPSA-N 1 1 305.334 1.420 20 5 DDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602427401 358969639 /nfs/dbraw/zinc/96/96/39/358969639.db2.gz GUBPGYRSBXYGLD-SECBINFHSA-N 1 1 317.267 1.921 20 5 DDBDMO Cn1cc(CN2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])n1 ZINC000602430554 358970792 /nfs/dbraw/zinc/97/07/92/358970792.db2.gz BXBXVCYUBBPSLK-UHFFFAOYSA-N 1 1 321.406 1.708 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602771406 359179112 /nfs/dbraw/zinc/17/91/12/359179112.db2.gz IVFRJIYGRSDWIS-SNVBAGLBSA-N 1 1 310.354 1.373 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000602778370 359185072 /nfs/dbraw/zinc/18/50/72/359185072.db2.gz AYXALHGQCISMIB-ZDUSSCGKSA-N 1 1 318.381 1.398 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000602830174 359222099 /nfs/dbraw/zinc/22/20/99/359222099.db2.gz AEEPNBQADHWBHI-OAHLLOKOSA-N 1 1 310.398 1.830 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC000602963638 359326572 /nfs/dbraw/zinc/32/65/72/359326572.db2.gz HPSSJNDNLGQSAH-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000603140836 359429120 /nfs/dbraw/zinc/42/91/20/359429120.db2.gz ALZXVHSAGLWYOB-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000603140836 359429124 /nfs/dbraw/zinc/42/91/24/359429124.db2.gz ALZXVHSAGLWYOB-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1O ZINC000186820159 200016973 /nfs/dbraw/zinc/01/69/73/200016973.db2.gz SRJKWAIKGGPKBG-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1O ZINC000186820159 200016974 /nfs/dbraw/zinc/01/69/74/200016974.db2.gz SRJKWAIKGGPKBG-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000186823146 200017387 /nfs/dbraw/zinc/01/73/87/200017387.db2.gz CQJOBKLCANJOJP-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187163632 200070153 /nfs/dbraw/zinc/07/01/53/200070153.db2.gz YIGVFIPCWFGAFI-GFCCVEGCSA-N 1 1 324.381 1.269 20 5 DDBDMO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000618588304 363684161 /nfs/dbraw/zinc/68/41/61/363684161.db2.gz XCBNDNGXHGCPRH-RNCFNFMXSA-N 1 1 305.338 1.024 20 5 DDBDMO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618588304 363684164 /nfs/dbraw/zinc/68/41/64/363684164.db2.gz XCBNDNGXHGCPRH-RNCFNFMXSA-N 1 1 305.338 1.024 20 5 DDBDMO Cc1cccc(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000189387816 200391973 /nfs/dbraw/zinc/39/19/73/200391973.db2.gz QKPKWAULOQRTCG-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1cccc(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000189387816 200391974 /nfs/dbraw/zinc/39/19/74/200391974.db2.gz QKPKWAULOQRTCG-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609450476 360307787 /nfs/dbraw/zinc/30/77/87/360307787.db2.gz YRSKKCWEWZUTAT-SECBINFHSA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609450476 360307788 /nfs/dbraw/zinc/30/77/88/360307788.db2.gz YRSKKCWEWZUTAT-SECBINFHSA-N 1 1 307.306 1.100 20 5 DDBDMO CCC[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000611228214 360667817 /nfs/dbraw/zinc/66/78/17/360667817.db2.gz UEUPOFMUMZFUAU-ZDUSSCGKSA-N 1 1 308.382 1.927 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000611335231 360700632 /nfs/dbraw/zinc/70/06/32/360700632.db2.gz HHVCQTBMGOXSFW-LBPRGKRZSA-N 1 1 321.381 1.132 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611564062 360761348 /nfs/dbraw/zinc/76/13/48/360761348.db2.gz VAXGEIWCBLSGSI-RYUDHWBXSA-N 1 1 322.361 1.959 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000611813312 360831722 /nfs/dbraw/zinc/83/17/22/360831722.db2.gz XKJMJMFKBGBVMO-CQSZACIVSA-N 1 1 322.361 1.447 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000611813311 360832290 /nfs/dbraw/zinc/83/22/90/360832290.db2.gz XKJMJMFKBGBVMO-AWEZNQCLSA-N 1 1 322.361 1.447 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000271957593 209340695 /nfs/dbraw/zinc/34/06/95/209340695.db2.gz YNJOQNUXLIRGJB-UHFFFAOYSA-N 1 1 303.362 1.906 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271902396 209310670 /nfs/dbraw/zinc/31/06/70/209310670.db2.gz GZNUUDTXKBZPGZ-VOTSOKGWSA-N 1 1 301.346 1.986 20 5 DDBDMO CNc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613235007 361342090 /nfs/dbraw/zinc/34/20/90/361342090.db2.gz LBZPWBGKJCSWPO-ZWNOBZJWSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613235007 361342095 /nfs/dbraw/zinc/34/20/95/361342095.db2.gz LBZPWBGKJCSWPO-ZWNOBZJWSA-N 1 1 322.365 1.085 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193690658 201104537 /nfs/dbraw/zinc/10/45/37/201104537.db2.gz QWMQDBUVFDWWRX-NSHDSACASA-N 1 1 322.365 1.403 20 5 DDBDMO CC1(C)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000619187188 363926482 /nfs/dbraw/zinc/92/64/82/363926482.db2.gz WDBROXIAHXDXFK-UONOGXRCSA-N 1 1 319.361 1.403 20 5 DDBDMO CC1(C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000619187188 363926485 /nfs/dbraw/zinc/92/64/85/363926485.db2.gz WDBROXIAHXDXFK-UONOGXRCSA-N 1 1 319.361 1.403 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000350075316 284143322 /nfs/dbraw/zinc/14/33/22/284143322.db2.gz IRIXYBFRYCLHQJ-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000350075316 284143323 /nfs/dbraw/zinc/14/33/23/284143323.db2.gz IRIXYBFRYCLHQJ-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000264627349 204039376 /nfs/dbraw/zinc/03/93/76/204039376.db2.gz SVXFDHZRCREMFL-LBPRGKRZSA-N 1 1 310.329 1.486 20 5 DDBDMO Cc1cccc(C(=O)NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000264830461 204190223 /nfs/dbraw/zinc/19/02/23/204190223.db2.gz TXQVAYQCXCPMAE-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264941506 204288493 /nfs/dbraw/zinc/28/84/93/204288493.db2.gz IJLZPCCPXSAWTO-LLVKDONJSA-N 1 1 321.381 1.765 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000334084038 249209725 /nfs/dbraw/zinc/20/97/25/249209725.db2.gz WDAMABMGWKCZLV-QWRGUYRKSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000284724456 218150222 /nfs/dbraw/zinc/15/02/22/218150222.db2.gz VFKPXCAFZKVMBN-DOMZBBRYSA-N 1 1 321.377 1.411 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000061380222 184169994 /nfs/dbraw/zinc/16/99/94/184169994.db2.gz IZNYTGFHTPMMEZ-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000340903687 251266948 /nfs/dbraw/zinc/26/69/48/251266948.db2.gz MURWRXQIQQXBNO-UHFFFAOYSA-N 1 1 324.429 1.558 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110139 207248837 /nfs/dbraw/zinc/24/88/37/207248837.db2.gz IESJCWOIFWESRD-MNOVXSKESA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110139 207248842 /nfs/dbraw/zinc/24/88/42/207248842.db2.gz IESJCWOIFWESRD-MNOVXSKESA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269110139 207248847 /nfs/dbraw/zinc/24/88/47/207248847.db2.gz IESJCWOIFWESRD-MNOVXSKESA-N 1 1 307.354 1.183 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412306003 224008075 /nfs/dbraw/zinc/00/80/75/224008075.db2.gz DLZXXORAUAOUPU-UHFFFAOYSA-N 1 1 321.381 1.276 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450959793 532956206 /nfs/dbraw/zinc/95/62/06/532956206.db2.gz YXXGDUTWKVTWHG-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450959793 532956212 /nfs/dbraw/zinc/95/62/12/532956212.db2.gz YXXGDUTWKVTWHG-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000330762360 533040718 /nfs/dbraw/zinc/04/07/18/533040718.db2.gz HTBRHCQMVTVMAN-LLVKDONJSA-N 1 1 321.381 1.293 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@H]1O ZINC000286510270 219027491 /nfs/dbraw/zinc/02/74/91/219027491.db2.gz MUFZGFYNYZMIQM-HUUCEWRRSA-N 1 1 319.361 1.329 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157305778 197177888 /nfs/dbraw/zinc/17/78/88/197177888.db2.gz SCUBNYFGNCYQMZ-TZMCWYRMSA-N 1 1 321.381 1.124 20 5 DDBDMO C[C@H](CO)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289486955 221011939 /nfs/dbraw/zinc/01/19/39/221011939.db2.gz RESVVNXATQVARE-LLVKDONJSA-N 1 1 304.350 1.808 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487171 221012253 /nfs/dbraw/zinc/01/22/53/221012253.db2.gz SGSYDSXLJWGPLF-QWRGUYRKSA-N 1 1 317.349 1.947 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1(F)F ZINC000289783085 221222393 /nfs/dbraw/zinc/22/23/93/221222393.db2.gz LVOHORSOVGMZFO-MWLCHTKSSA-N 1 1 304.297 1.129 20 5 DDBDMO C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC001120489019 781979462 /nfs/dbraw/zinc/97/94/62/781979462.db2.gz MEGIXRQYSVWZEM-STQMWFEESA-N 1 1 311.382 1.122 20 5 DDBDMO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])CN(C)C ZINC001120489019 781979471 /nfs/dbraw/zinc/97/94/71/781979471.db2.gz MEGIXRQYSVWZEM-STQMWFEESA-N 1 1 311.382 1.122 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299578632 533667392 /nfs/dbraw/zinc/66/73/92/533667392.db2.gz XEDPTULILQQYAX-AXFHLTTASA-N 1 1 323.397 1.723 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000353607516 285826021 /nfs/dbraw/zinc/82/60/21/285826021.db2.gz PPEHELPNSYVQRP-AWEZNQCLSA-N 1 1 304.350 1.780 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000569162474 304339145 /nfs/dbraw/zinc/33/91/45/304339145.db2.gz UGNJRLYFKNZICO-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000569162474 304339147 /nfs/dbraw/zinc/33/91/47/304339147.db2.gz UGNJRLYFKNZICO-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076345443 406963871 /nfs/dbraw/zinc/96/38/71/406963871.db2.gz NMZBZPAPDWCOTL-ZFWWWQNUSA-N 1 1 310.350 1.445 20 5 DDBDMO CC(C)[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000085861062 407106225 /nfs/dbraw/zinc/10/62/25/407106225.db2.gz UXAAVXFKIVSLTB-UHFFFAOYSA-N 1 1 307.350 1.187 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079943477 407066366 /nfs/dbraw/zinc/06/63/66/407066366.db2.gz ACKFFDPFOFNKGO-CYBMUJFWSA-N 1 1 322.409 1.878 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055900371 407207917 /nfs/dbraw/zinc/20/79/17/407207917.db2.gz VSWBSUUIOYEZQK-HNNXBMFYSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065867570 407245966 /nfs/dbraw/zinc/24/59/66/407245966.db2.gz OWWUOIZQMYLQAR-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191215 407321575 /nfs/dbraw/zinc/32/15/75/407321575.db2.gz LUXHWLWXCDWBQL-BXUZGUMPSA-N 1 1 320.393 1.608 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101631743 407313271 /nfs/dbraw/zinc/31/32/71/407313271.db2.gz HYXZZGUQFIYTNJ-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccncc1[N+](=O)[O-])C2 ZINC000124563286 407362319 /nfs/dbraw/zinc/36/23/19/407362319.db2.gz WZXSRVGDUFNNCS-WDEREUQCSA-N 1 1 305.338 1.690 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111281185 407406395 /nfs/dbraw/zinc/40/63/95/407406395.db2.gz UBBUVGKSFIFISJ-UHFFFAOYSA-N 1 1 317.349 1.752 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000111635723 407412620 /nfs/dbraw/zinc/41/26/20/407412620.db2.gz ZZFBIHIIUYUCKB-JTQLQIEISA-N 1 1 308.338 1.300 20 5 DDBDMO CN1CC[NH+]([C@@H]2CCCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000127021618 407426320 /nfs/dbraw/zinc/42/63/20/407426320.db2.gz AHVVSIIZANSAGJ-CQSZACIVSA-N 1 1 319.409 1.596 20 5 DDBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170911871 407552042 /nfs/dbraw/zinc/55/20/42/407552042.db2.gz YETBDWMJEPSBTE-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114062859 407535674 /nfs/dbraw/zinc/53/56/74/407535674.db2.gz FRXWNAIAJNWQQY-QWRGUYRKSA-N 1 1 323.349 1.663 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000266907308 407672540 /nfs/dbraw/zinc/67/25/40/407672540.db2.gz BOLNDTIPIMBBNL-UWVGGRQHSA-N 1 1 308.260 1.179 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(F)c1 ZINC000267006354 407713857 /nfs/dbraw/zinc/71/38/57/407713857.db2.gz FWUSDYFCYDSLTL-CYBMUJFWSA-N 1 1 323.368 1.888 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262108142 407741569 /nfs/dbraw/zinc/74/15/69/407741569.db2.gz ZTSVVFYNWRALRE-CQSZACIVSA-N 1 1 318.308 1.849 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272107402 407777620 /nfs/dbraw/zinc/77/76/20/407777620.db2.gz MUDWPPDSMKLHGD-CHWSQXEVSA-N 1 1 320.393 1.408 20 5 DDBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000153391613 407815647 /nfs/dbraw/zinc/81/56/47/407815647.db2.gz JFZUCFVQJDFHOV-UHFFFAOYSA-N 1 1 319.361 1.202 20 5 DDBDMO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CC(C)C1 ZINC000571102128 304437313 /nfs/dbraw/zinc/43/73/13/304437313.db2.gz GRMGCLJWMGGBMC-GFCCVEGCSA-N 1 1 307.350 1.430 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000153659404 407870190 /nfs/dbraw/zinc/87/01/90/407870190.db2.gz XOXYRYKYLLQBGX-MGPQQGTHSA-N 1 1 324.377 1.752 20 5 DDBDMO C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187727844 407884759 /nfs/dbraw/zinc/88/47/59/407884759.db2.gz YGIRYTXGFJISRV-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187727844 407884766 /nfs/dbraw/zinc/88/47/66/407884766.db2.gz YGIRYTXGFJISRV-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187727844 407884775 /nfs/dbraw/zinc/88/47/75/407884775.db2.gz YGIRYTXGFJISRV-AWEZNQCLSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268102276 407889391 /nfs/dbraw/zinc/88/93/91/407889391.db2.gz FTHXKLZLDONKFT-FZMZJTMJSA-N 1 1 318.377 1.877 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268253008 407971192 /nfs/dbraw/zinc/97/11/92/407971192.db2.gz XGELCMDOAKECKZ-XHDPSFHLSA-N 1 1 319.361 1.573 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272570164 407989708 /nfs/dbraw/zinc/98/97/08/407989708.db2.gz FTCDKOMRRXAYDK-DOMZBBRYSA-N 1 1 319.361 1.526 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000154742635 408077798 /nfs/dbraw/zinc/07/77/98/408077798.db2.gz HAWRYSQFCDECEZ-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136205179 408090876 /nfs/dbraw/zinc/09/08/76/408090876.db2.gz FSWAIRMBJUMVTD-RYUDHWBXSA-N 1 1 323.397 1.806 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000189749645 408100928 /nfs/dbraw/zinc/10/09/28/408100928.db2.gz LICSZVOVCVREIV-UHFFFAOYSA-N 1 1 324.377 1.837 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175326441 408106058 /nfs/dbraw/zinc/10/60/58/408106058.db2.gz XBIRNPJFFYGBLD-LLVKDONJSA-N 1 1 322.365 1.499 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000175405490 408121459 /nfs/dbraw/zinc/12/14/59/408121459.db2.gz WWVZXTYJWQYNKW-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000263657236 408192749 /nfs/dbraw/zinc/19/27/49/408192749.db2.gz AGKHSMCYRLIXLY-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO C[C@@H]1C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000273317016 408149122 /nfs/dbraw/zinc/14/91/22/408149122.db2.gz JPNBVBLOKNNHTG-VXGBXAGGSA-N 1 1 312.391 1.956 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000151201786 408275102 /nfs/dbraw/zinc/27/51/02/408275102.db2.gz PPQHYZSTGZVYKW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000151201786 408275106 /nfs/dbraw/zinc/27/51/06/408275106.db2.gz PPQHYZSTGZVYKW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000264138903 408378381 /nfs/dbraw/zinc/37/83/81/408378381.db2.gz FZWIQFHJSLGXDG-UHFFFAOYSA-N 1 1 309.370 1.090 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289827 408445261 /nfs/dbraw/zinc/44/52/61/408445261.db2.gz GJQNSQADNRSFSJ-QWRGUYRKSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289827 408445267 /nfs/dbraw/zinc/44/52/67/408445267.db2.gz GJQNSQADNRSFSJ-QWRGUYRKSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289827 408445272 /nfs/dbraw/zinc/44/52/72/408445272.db2.gz GJQNSQADNRSFSJ-QWRGUYRKSA-N 1 1 323.397 1.825 20 5 DDBDMO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000183583187 408446466 /nfs/dbraw/zinc/44/64/66/408446466.db2.gz DCVYAGLEZXIJLE-NSHDSACASA-N 1 1 323.353 1.080 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000275543584 408595021 /nfs/dbraw/zinc/59/50/21/408595021.db2.gz QSMHCDNDPOAZEW-ZDUSSCGKSA-N 1 1 321.381 1.271 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000192680953 408631577 /nfs/dbraw/zinc/63/15/77/408631577.db2.gz CTAOZEDNXZEFTQ-HNNXBMFYSA-N 1 1 318.333 1.077 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000192680953 408631585 /nfs/dbraw/zinc/63/15/85/408631585.db2.gz CTAOZEDNXZEFTQ-HNNXBMFYSA-N 1 1 318.333 1.077 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249527347 408736048 /nfs/dbraw/zinc/73/60/48/408736048.db2.gz AGGVRCOBRWMDOF-MBNYWOFBSA-N 1 1 310.350 1.037 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000185222230 408782448 /nfs/dbraw/zinc/78/24/48/408782448.db2.gz GYIWTLMGHHDPFB-UHFFFAOYSA-N 1 1 301.302 1.962 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000270952612 408756893 /nfs/dbraw/zinc/75/68/93/408756893.db2.gz VTIMFMCNPPMZNF-UHFFFAOYSA-N 1 1 305.378 1.998 20 5 DDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126336 408764469 /nfs/dbraw/zinc/76/44/69/408764469.db2.gz NDDLCHFPWBEEST-YBTHPKLGSA-N 1 1 300.380 1.672 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280840876 408844693 /nfs/dbraw/zinc/84/46/93/408844693.db2.gz XBCHDTHBKJUMRE-OAHLLOKOSA-N 1 1 307.350 1.691 20 5 DDBDMO [NH3+]CC[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286040064 408912767 /nfs/dbraw/zinc/91/27/67/408912767.db2.gz KSSZUPUVLPFLGP-SNVBAGLBSA-N 1 1 317.349 1.815 20 5 DDBDMO C[N@@H+]1C[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193601704 163259468 /nfs/dbraw/zinc/25/94/68/163259468.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193601704 163259469 /nfs/dbraw/zinc/25/94/69/163259469.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO C[NH+]1C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193601704 163259471 /nfs/dbraw/zinc/25/94/71/163259471.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO C[N@H+]1C[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000193601704 163259473 /nfs/dbraw/zinc/25/94/73/163259473.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000193601704 163259474 /nfs/dbraw/zinc/25/94/74/163259474.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO CN1C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193601704 163259476 /nfs/dbraw/zinc/25/94/76/163259476.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO CN1C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193601704 163259478 /nfs/dbraw/zinc/25/94/78/163259478.db2.gz WSZIIQMZLHZNRV-OKILXGFUSA-N 1 1 305.378 1.857 20 5 DDBDMO COc1ccc(OCCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193616232 163260762 /nfs/dbraw/zinc/26/07/62/163260762.db2.gz ZQFYYQHACDCLDW-BETUJISGSA-N 1 1 321.377 1.476 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000286262195 408952137 /nfs/dbraw/zinc/95/21/37/408952137.db2.gz BGJVFMOEJFBQEM-UHFFFAOYSA-N 1 1 316.155 1.665 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CN1 ZINC000278837663 409098442 /nfs/dbraw/zinc/09/84/42/409098442.db2.gz IXLDDXANPCURAC-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)Cc1ccccc1 ZINC000293418624 409109224 /nfs/dbraw/zinc/10/92/24/409109224.db2.gz SQDZBQGGJYZYMU-HNNXBMFYSA-N 1 1 304.350 1.327 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283623733 409185938 /nfs/dbraw/zinc/18/59/38/409185938.db2.gz AXWCDJBBTZFICT-JTQLQIEISA-N 1 1 324.356 1.730 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH+]c(N(C)C)n1C ZINC000288848469 409187637 /nfs/dbraw/zinc/18/76/37/409187637.db2.gz KISKDRSOITXWOY-UHFFFAOYSA-N 1 1 307.358 1.531 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279125035 409153185 /nfs/dbraw/zinc/15/31/85/409153185.db2.gz VFTXBLPRROWMNH-BONVTDFDSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279125035 409153188 /nfs/dbraw/zinc/15/31/88/409153188.db2.gz VFTXBLPRROWMNH-BONVTDFDSA-N 1 1 318.333 1.330 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279146563 409157559 /nfs/dbraw/zinc/15/75/59/409157559.db2.gz DULRRKVZSOEFKL-UHFFFAOYSA-N 1 1 324.356 1.578 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279166691 409161675 /nfs/dbraw/zinc/16/16/75/409161675.db2.gz GQYKMJMWTXYWGV-NSHDSACASA-N 1 1 322.365 1.248 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000288793271 409179320 /nfs/dbraw/zinc/17/93/20/409179320.db2.gz KDROLZXLTLMFNA-STQMWFEESA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000288793271 409179324 /nfs/dbraw/zinc/17/93/24/409179324.db2.gz KDROLZXLTLMFNA-STQMWFEESA-N 1 1 321.377 1.650 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284140218 409283571 /nfs/dbraw/zinc/28/35/71/409283571.db2.gz VZWAQBLGKIJKHC-UHFFFAOYSA-N 1 1 310.329 1.484 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000280278902 409283713 /nfs/dbraw/zinc/28/37/13/409283713.db2.gz NDXFOGUXZVXWEV-OAHLLOKOSA-N 1 1 323.349 1.309 20 5 DDBDMO Cc1nc(N[C@@H](C)CC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000295117097 409329115 /nfs/dbraw/zinc/32/91/15/409329115.db2.gz WDYQQQWUWXUDEC-NSHDSACASA-N 1 1 308.386 1.131 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422411 409310107 /nfs/dbraw/zinc/31/01/07/409310107.db2.gz LYDYQVQSSKOKNT-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000280422411 409310110 /nfs/dbraw/zinc/31/01/10/409310110.db2.gz LYDYQVQSSKOKNT-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000295978839 409389390 /nfs/dbraw/zinc/38/93/90/409389390.db2.gz KWWSZAMVLJDHSQ-AWEZNQCLSA-N 1 1 321.377 1.941 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000280541775 409349905 /nfs/dbraw/zinc/34/99/05/409349905.db2.gz DKSFFOWVIGTSKP-INIZCTEOSA-N 1 1 321.377 1.952 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000295355868 409448473 /nfs/dbraw/zinc/44/84/73/409448473.db2.gz ZCCWGUSACRUYOC-HNNXBMFYSA-N 1 1 324.356 1.557 20 5 DDBDMO COc1ccc(C[N@@H+](CCOCCO)C(C)C)cc1[N+](=O)[O-] ZINC000319606562 164037757 /nfs/dbraw/zinc/03/77/57/164037757.db2.gz WVHKMMDRZOBEGZ-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000357034101 164136916 /nfs/dbraw/zinc/13/69/16/164136916.db2.gz CEHYZACCFDHIRA-GFCCVEGCSA-N 1 1 321.381 1.323 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000357057143 164138386 /nfs/dbraw/zinc/13/83/86/164138386.db2.gz IPJOUMYXAALLIK-UHFFFAOYSA-N 1 1 311.386 1.817 20 5 DDBDMO C[N@@H+](CC[C@@H]1CCCO1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602189 409755759 /nfs/dbraw/zinc/75/57/59/409755759.db2.gz LWWGOVZWSFESCM-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000342630495 409772918 /nfs/dbraw/zinc/77/29/18/409772918.db2.gz FKWJIRCJPGGSPN-WVDJIFEKSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000342630495 409772921 /nfs/dbraw/zinc/77/29/21/409772921.db2.gz FKWJIRCJPGGSPN-WVDJIFEKSA-N 1 1 300.380 1.802 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041244 409810860 /nfs/dbraw/zinc/81/08/60/409810860.db2.gz QMAHKHJNKVKHEN-QWRGUYRKSA-N 1 1 306.366 1.218 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041247 409812221 /nfs/dbraw/zinc/81/22/21/409812221.db2.gz QMAHKHJNKVKHEN-WDEREUQCSA-N 1 1 306.366 1.218 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000332085952 409865487 /nfs/dbraw/zinc/86/54/87/409865487.db2.gz GDCLADQSPLWJNH-UHFFFAOYSA-N 1 1 321.381 1.574 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000319220563 409890166 /nfs/dbraw/zinc/89/01/66/409890166.db2.gz NDNSFPZDBWAYFL-PHIMTYICSA-N 1 1 307.350 1.910 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1nnnn1CC1CC1 ZINC000349645888 409899691 /nfs/dbraw/zinc/89/96/91/409899691.db2.gz NOPXTEJVLFFGGN-HYXAFXHYSA-N 1 1 314.349 1.794 20 5 DDBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617540 409970794 /nfs/dbraw/zinc/97/07/94/409970794.db2.gz UTUITKSJCWQDOB-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617540 409970800 /nfs/dbraw/zinc/97/08/00/409970800.db2.gz UTUITKSJCWQDOB-LLVKDONJSA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000332599263 410189088 /nfs/dbraw/zinc/18/90/88/410189088.db2.gz IPGFPMLUOVHJEM-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000332599263 410189093 /nfs/dbraw/zinc/18/90/93/410189093.db2.gz IPGFPMLUOVHJEM-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343432242 410449327 /nfs/dbraw/zinc/44/93/27/410449327.db2.gz KLEQWZGKIDVONH-GXFFZTMASA-N 1 1 307.350 1.816 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@H](O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339780961 410456621 /nfs/dbraw/zinc/45/66/21/410456621.db2.gz SYBZWVHBRCFLHM-AWEZNQCLSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]1[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343460319 410471204 /nfs/dbraw/zinc/47/12/04/410471204.db2.gz SHYHHJKYZNGYOU-SMDDNHRTSA-N 1 1 307.350 1.573 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343432246 410448436 /nfs/dbraw/zinc/44/84/36/410448436.db2.gz KLEQWZGKIDVONH-ZWNOBZJWSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000339883948 410528845 /nfs/dbraw/zinc/52/88/45/410528845.db2.gz GYHVUZSMRQRZGM-GFCCVEGCSA-N 1 1 306.366 1.851 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC(OC)C1 ZINC000352232405 410565053 /nfs/dbraw/zinc/56/50/53/410565053.db2.gz VGYVMWAZPLKGKC-UHFFFAOYSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC(OC)C1 ZINC000352232405 410565060 /nfs/dbraw/zinc/56/50/60/410565060.db2.gz VGYVMWAZPLKGKC-UHFFFAOYSA-N 1 1 323.349 1.651 20 5 DDBDMO COCC[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355588309 410594777 /nfs/dbraw/zinc/59/47/77/410594777.db2.gz VTNBAGYKRUZOSH-UHFFFAOYSA-N 1 1 312.322 1.225 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352361261 410648799 /nfs/dbraw/zinc/64/87/99/410648799.db2.gz QQDFKBUHXQKLTA-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000337310868 410708262 /nfs/dbraw/zinc/70/82/62/410708262.db2.gz BOZAOEYZSONRPI-YWPYICTPSA-N 1 1 319.361 1.626 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)no1 ZINC000359565763 410737561 /nfs/dbraw/zinc/73/75/61/410737561.db2.gz IYXUZEMPHSRLIK-UHFFFAOYSA-N 1 1 318.333 1.617 20 5 DDBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000340267395 410808629 /nfs/dbraw/zinc/80/86/29/410808629.db2.gz HYFYOIFIFATVMS-VXGBXAGGSA-N 1 1 309.370 1.170 20 5 DDBDMO CCc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000301917198 410830638 /nfs/dbraw/zinc/83/06/38/410830638.db2.gz ANWRBMXTBASLGS-SGMGOOAPSA-N 1 1 319.409 1.811 20 5 DDBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348223781 410864380 /nfs/dbraw/zinc/86/43/80/410864380.db2.gz XWZSPPVRKZHZMH-CQSZACIVSA-N 1 1 318.377 1.362 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344038836 410910819 /nfs/dbraw/zinc/91/08/19/410910819.db2.gz GKCPKLRRRBTWPL-CORIIIEPSA-N 1 1 319.361 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344038836 410910829 /nfs/dbraw/zinc/91/08/29/410910829.db2.gz GKCPKLRRRBTWPL-CORIIIEPSA-N 1 1 319.361 1.544 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000353490438 411027415 /nfs/dbraw/zinc/02/74/15/411027415.db2.gz QRGVXIXAIJYTLA-GCVQQVDUSA-N 1 1 323.349 1.386 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C1CC(O)C1 ZINC000353490438 411027421 /nfs/dbraw/zinc/02/74/21/411027421.db2.gz QRGVXIXAIJYTLA-GCVQQVDUSA-N 1 1 323.349 1.386 20 5 DDBDMO C[C@@H](CO)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353499266 411034122 /nfs/dbraw/zinc/03/41/22/411034122.db2.gz CSPAYDOANSEHGE-BXUZGUMPSA-N 1 1 304.350 1.636 20 5 DDBDMO CCNC(=O)C[N@@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000133506967 196329975 /nfs/dbraw/zinc/32/99/75/196329975.db2.gz YLFKLMIENQWXEW-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO CNc1nccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000519180177 416898460 /nfs/dbraw/zinc/89/84/60/416898460.db2.gz KNASUCLAZKLQPH-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000361012715 418566153 /nfs/dbraw/zinc/56/61/53/418566153.db2.gz HCXGNKBEMNVJOI-LBPRGKRZSA-N 1 1 324.429 1.558 20 5 DDBDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044804 418572760 /nfs/dbraw/zinc/57/27/60/418572760.db2.gz JPOHSSPNVXSZEB-BXUZGUMPSA-N 1 1 302.334 1.729 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000367148502 418564222 /nfs/dbraw/zinc/56/42/22/418564222.db2.gz XZQUJORMPMRLML-SECBINFHSA-N 1 1 300.409 1.679 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000375220767 418619607 /nfs/dbraw/zinc/61/96/07/418619607.db2.gz NWKGGBQODSVKNC-UHFFFAOYSA-N 1 1 312.395 1.426 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000375220767 418619609 /nfs/dbraw/zinc/61/96/09/418619609.db2.gz NWKGGBQODSVKNC-UHFFFAOYSA-N 1 1 312.395 1.426 20 5 DDBDMO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000370938558 418751565 /nfs/dbraw/zinc/75/15/65/418751565.db2.gz BFUBWUIXPRNQAS-WUCCLRPBSA-N 1 1 309.410 1.811 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990177 418755642 /nfs/dbraw/zinc/75/56/42/418755642.db2.gz BZKUJDSQYWJIFQ-OJLVUWQFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370990177 418755645 /nfs/dbraw/zinc/75/56/45/418755645.db2.gz BZKUJDSQYWJIFQ-OJLVUWQFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370990177 418755646 /nfs/dbraw/zinc/75/56/46/418755646.db2.gz BZKUJDSQYWJIFQ-OJLVUWQFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408113049 418788288 /nfs/dbraw/zinc/78/82/88/418788288.db2.gz PUCAZXFUQMTZSW-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000408113049 418788290 /nfs/dbraw/zinc/78/82/90/418788290.db2.gz PUCAZXFUQMTZSW-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000372352676 418860033 /nfs/dbraw/zinc/86/00/33/418860033.db2.gz ZYEKAFWAMKQYQB-ZIAGYGMSSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952399 419379221 /nfs/dbraw/zinc/37/92/21/419379221.db2.gz XWDXCUIEEUJJLA-NWDGAFQWSA-N 1 1 322.361 1.912 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CCO)o2)cc1 ZINC000426256675 419421761 /nfs/dbraw/zinc/42/17/61/419421761.db2.gz SWYYZTBPPXFLKX-GFCCVEGCSA-N 1 1 318.333 1.992 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000411936336 419505686 /nfs/dbraw/zinc/50/56/86/419505686.db2.gz FPBAVPZGZSPQQA-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421776635 419725635 /nfs/dbraw/zinc/72/56/35/419725635.db2.gz UPGAWBHFUKOGAL-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000423619807 420102153 /nfs/dbraw/zinc/10/21/53/420102153.db2.gz VXTDHCJRDBSTCO-LLVKDONJSA-N 1 1 319.296 1.244 20 5 DDBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430193210 420088045 /nfs/dbraw/zinc/08/80/45/420088045.db2.gz FWOPKRJHZNACKN-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430193210 420088047 /nfs/dbraw/zinc/08/80/47/420088047.db2.gz FWOPKRJHZNACKN-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000430223275 420091964 /nfs/dbraw/zinc/09/19/64/420091964.db2.gz UTNXCKNUATZBHW-CYBMUJFWSA-N 1 1 321.377 1.952 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000430226204 420092689 /nfs/dbraw/zinc/09/26/89/420092689.db2.gz MSQGDHJVRYWODF-JQWIXIFHSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423857954 420230718 /nfs/dbraw/zinc/23/07/18/420230718.db2.gz ZLMHKOULHNDWCF-PELKAZGASA-N 1 1 313.741 1.241 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000492664094 420622751 /nfs/dbraw/zinc/62/27/51/420622751.db2.gz SYAJZLSPPHLKHE-SZZPACECSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000492664094 420622752 /nfs/dbraw/zinc/62/27/52/420622752.db2.gz SYAJZLSPPHLKHE-SZZPACECSA-N 1 1 319.361 1.133 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447911292 420817153 /nfs/dbraw/zinc/81/71/53/420817153.db2.gz ZMWAQJXWMDWBER-WCQYABFASA-N 1 1 300.742 1.878 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459784536 420872080 /nfs/dbraw/zinc/87/20/80/420872080.db2.gz ACAXREOGHXPCAM-SCRDCRAPSA-N 1 1 310.375 1.524 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@@H+]2CCCO)c(F)c1 ZINC000449384185 421002005 /nfs/dbraw/zinc/00/20/05/421002005.db2.gz AGVMMESPKGQIKS-CQSZACIVSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)c(F)c1 ZINC000449384185 421002010 /nfs/dbraw/zinc/00/20/10/421002010.db2.gz AGVMMESPKGQIKS-CQSZACIVSA-N 1 1 311.357 1.670 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000487190412 421009044 /nfs/dbraw/zinc/00/90/44/421009044.db2.gz DBMAVNRFPOBVFS-CYBMUJFWSA-N 1 1 307.354 1.216 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCC[N@@H+]3CCCO)[nH]c2c1 ZINC000450598817 421215645 /nfs/dbraw/zinc/21/56/45/421215645.db2.gz RLULARZWAJTRGR-LBPRGKRZSA-N 1 1 319.365 1.152 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000514750069 421451100 /nfs/dbraw/zinc/45/11/00/421451100.db2.gz KJGBNWAJACZZEB-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000514750069 421451105 /nfs/dbraw/zinc/45/11/05/421451105.db2.gz KJGBNWAJACZZEB-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000563530337 421518248 /nfs/dbraw/zinc/51/82/48/421518248.db2.gz OXQFHDRSPGEQCR-SNVBAGLBSA-N 1 1 315.276 1.283 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000531634749 421641540 /nfs/dbraw/zinc/64/15/40/421641540.db2.gz JOTPWECCMASVLG-NEPJUHHUSA-N 1 1 306.366 1.935 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572760742 421857068 /nfs/dbraw/zinc/85/70/68/421857068.db2.gz YIIPZJHKEQOMKG-HNNXBMFYSA-N 1 1 316.361 1.829 20 5 DDBDMO COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000582130959 422118413 /nfs/dbraw/zinc/11/84/13/422118413.db2.gz SDBWSRGMIFILSV-NSHDSACASA-N 1 1 307.350 1.561 20 5 DDBDMO Nc1ccc(N2CCN(c3cccnc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000609505953 422463719 /nfs/dbraw/zinc/46/37/19/422463719.db2.gz VUOUSDXEOULKLW-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000347479196 272703652 /nfs/dbraw/zinc/70/36/52/272703652.db2.gz RUFGDDGNJQTUAN-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO Cc1nc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286175882 274843283 /nfs/dbraw/zinc/84/32/83/274843283.db2.gz ADLRXUBZKVNDQH-WCQYABFASA-N 1 1 306.366 1.598 20 5 DDBDMO CCC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000271012833 276031532 /nfs/dbraw/zinc/03/15/32/276031532.db2.gz YBJDBGUUMFVXLC-CYBMUJFWSA-N 1 1 308.382 1.927 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269361861 276173657 /nfs/dbraw/zinc/17/36/57/276173657.db2.gz JSOQEFDHECGJFL-SNVBAGLBSA-N 1 1 309.370 1.655 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000184308251 277006707 /nfs/dbraw/zinc/00/67/07/277006707.db2.gz KHRXQENNYWJFLK-ZDUSSCGKSA-N 1 1 313.329 1.603 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000357312601 299006101 /nfs/dbraw/zinc/00/61/01/299006101.db2.gz JNAMULTUGNQHIS-NXEZZACHSA-N 1 1 305.338 1.127 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193322 300026077 /nfs/dbraw/zinc/02/60/77/300026077.db2.gz YOVXSKKYDKNBIL-NURSFMCSSA-N 1 1 310.325 1.945 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363026609 300200235 /nfs/dbraw/zinc/20/02/35/300200235.db2.gz JVZMEJZCHFFVGX-DZGCQCFKSA-N 1 1 303.362 1.880 20 5 DDBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363123020 300214754 /nfs/dbraw/zinc/21/47/54/300214754.db2.gz WTDSOBFDQXEXQY-LLVKDONJSA-N 1 1 318.377 1.924 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363123021 300214950 /nfs/dbraw/zinc/21/49/50/300214950.db2.gz WTDSOBFDQXEXQY-NSHDSACASA-N 1 1 318.377 1.924 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364082714 300342197 /nfs/dbraw/zinc/34/21/97/300342197.db2.gz JVISESNRMSOMRT-STQMWFEESA-N 1 1 318.377 1.750 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368953013 301109332 /nfs/dbraw/zinc/10/93/32/301109332.db2.gz ZGWFQIKJCFYHNR-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019115 301120260 /nfs/dbraw/zinc/12/02/60/301120260.db2.gz OATBYQUDBBHFCH-ZYHUDNBSSA-N 1 1 307.354 1.095 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019115 301120263 /nfs/dbraw/zinc/12/02/63/301120263.db2.gz OATBYQUDBBHFCH-ZYHUDNBSSA-N 1 1 307.354 1.095 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000369800027 301226531 /nfs/dbraw/zinc/22/65/31/301226531.db2.gz QULYFLJBAYXYFX-CABCVRRESA-N 1 1 324.381 1.451 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000369800027 301226535 /nfs/dbraw/zinc/22/65/35/301226535.db2.gz QULYFLJBAYXYFX-CABCVRRESA-N 1 1 324.381 1.451 20 5 DDBDMO C[NH+](C)C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000397868044 302356438 /nfs/dbraw/zinc/35/64/38/302356438.db2.gz IGLBJCKFRUZEOF-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366633685 307078049 /nfs/dbraw/zinc/07/80/49/307078049.db2.gz CKYCFGSEKRTCIW-JSGCOSHPSA-N 1 1 319.409 1.777 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000367413795 307092637 /nfs/dbraw/zinc/09/26/37/307092637.db2.gz WHPMIYMUABUIBG-HZPDHXFCSA-N 1 1 321.377 1.035 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000374348353 307206041 /nfs/dbraw/zinc/20/60/41/307206041.db2.gz FWSFARXYUICYCD-LLVKDONJSA-N 1 1 315.333 1.421 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC000427252856 307302950 /nfs/dbraw/zinc/30/29/50/307302950.db2.gz ZBACYSYQQBXXMY-RYUDHWBXSA-N 1 1 323.397 1.804 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000209701064 484137433 /nfs/dbraw/zinc/13/74/33/484137433.db2.gz WALZMXZAHUKVBS-SREVYHEPSA-N 1 1 307.350 1.302 20 5 DDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC1(C)C ZINC000489475501 484223975 /nfs/dbraw/zinc/22/39/75/484223975.db2.gz GYHGTQNGURTGMZ-ZDUSSCGKSA-N 1 1 321.333 1.992 20 5 DDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC1(C)C ZINC000489475501 484223981 /nfs/dbraw/zinc/22/39/81/484223981.db2.gz GYHGTQNGURTGMZ-ZDUSSCGKSA-N 1 1 321.333 1.992 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000454924946 527812685 /nfs/dbraw/zinc/81/26/85/527812685.db2.gz LFYJYRSMSLIPJO-SNVBAGLBSA-N 1 1 307.354 1.103 20 5 DDBDMO CCC[N@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301966307 528218668 /nfs/dbraw/zinc/21/86/68/528218668.db2.gz KPDMGWJDTWHSGS-UHFFFAOYSA-N 1 1 304.354 1.560 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451730760 529290097 /nfs/dbraw/zinc/29/00/97/529290097.db2.gz PSYBRLHSJWFPSG-AWEZNQCLSA-N 1 1 320.393 1.610 20 5 DDBDMO CC[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000419227150 529335714 /nfs/dbraw/zinc/33/57/14/529335714.db2.gz SGRXIPNRNUGWDR-OAHLLOKOSA-N 1 1 321.377 1.778 20 5 DDBDMO CCCC[N@@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821062155 606709254 /nfs/dbraw/zinc/70/92/54/606709254.db2.gz UTOVXTKOPJLXHZ-UHFFFAOYSA-N 1 1 320.357 1.314 20 5 DDBDMO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000983652412 697286532 /nfs/dbraw/zinc/28/65/32/697286532.db2.gz CFNRGWDYKHEFNF-FMKGYKFTSA-N 1 1 323.418 1.706 20 5 DDBDMO C[C@@H]1COCCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000772826073 697683030 /nfs/dbraw/zinc/68/30/30/697683030.db2.gz RSFAERWGQRQWGE-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1COCCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000772826073 697683027 /nfs/dbraw/zinc/68/30/27/697683027.db2.gz RSFAERWGQRQWGE-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1nn(C[N@H+]2CCCOC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000772828104 697683048 /nfs/dbraw/zinc/68/30/48/697683048.db2.gz XLRSMOJXPFEVCX-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@@H+]2CCCOC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000772828104 697683049 /nfs/dbraw/zinc/68/30/49/697683049.db2.gz XLRSMOJXPFEVCX-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO CC(C)C1(O)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000773891037 697819168 /nfs/dbraw/zinc/81/91/68/697819168.db2.gz MMVYPLXQJUJOAA-UHFFFAOYSA-N 1 1 307.350 1.626 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581557 698121122 /nfs/dbraw/zinc/12/11/22/698121122.db2.gz JZJBJXXZAGHWJI-GXTWGEPZSA-N 1 1 308.334 1.513 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582448 698121515 /nfs/dbraw/zinc/12/15/15/698121515.db2.gz QOYVJOBTSZLIDS-TZMCWYRMSA-N 1 1 307.350 1.086 20 5 DDBDMO COC(=O)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776583149 698121667 /nfs/dbraw/zinc/12/16/67/698121667.db2.gz XYCMXGUKXMHAOC-CQSZACIVSA-N 1 1 310.350 1.902 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583088 698121719 /nfs/dbraw/zinc/12/17/19/698121719.db2.gz ZLXFRRANJPGGTM-OSMZGAPFSA-N 1 1 307.350 1.214 20 5 DDBDMO Cc1[nH+]ccn1CCCCOC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000778779468 698367064 /nfs/dbraw/zinc/36/70/64/698367064.db2.gz WNKHIARNPHPWFS-UHFFFAOYSA-N 1 1 307.310 1.320 20 5 DDBDMO C[C@@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000313428809 698683006 /nfs/dbraw/zinc/68/30/06/698683006.db2.gz YORHQEGEYFURTC-LDYMZIIASA-N 1 1 318.782 1.913 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)CO ZINC000782494150 698730577 /nfs/dbraw/zinc/73/05/77/698730577.db2.gz BUEQTZVGBBYNGN-UHFFFAOYSA-N 1 1 313.329 1.765 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788114519 699280009 /nfs/dbraw/zinc/28/00/09/699280009.db2.gz FCOOEUVZPJXXTJ-WCQYABFASA-N 1 1 308.338 1.351 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718986438 699296743 /nfs/dbraw/zinc/29/67/43/699296743.db2.gz DPZVHBFHZLAXJP-LLVKDONJSA-N 1 1 308.334 1.798 20 5 DDBDMO O=c1c(Br)cn(CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000789930425 699423000 /nfs/dbraw/zinc/42/30/00/699423000.db2.gz TVCUSUWEKJEIIG-UHFFFAOYSA-N 1 1 316.155 1.615 20 5 DDBDMO C[C@@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000738160283 699754409 /nfs/dbraw/zinc/75/44/09/699754409.db2.gz HVFGNZWCUCCIQJ-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000738160283 699754410 /nfs/dbraw/zinc/75/44/10/699754410.db2.gz HVFGNZWCUCCIQJ-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801939525 700358490 /nfs/dbraw/zinc/35/84/90/700358490.db2.gz FNPHLGVIWLEHOA-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801939525 700358495 /nfs/dbraw/zinc/35/84/95/700358495.db2.gz FNPHLGVIWLEHOA-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nccc1[N+](=O)[O-] ZINC000802748264 700424365 /nfs/dbraw/zinc/42/43/65/700424365.db2.gz LFVLEMDXLJZNBK-YHWZYXNKSA-N 1 1 316.365 1.893 20 5 DDBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nccc1[N+](=O)[O-] ZINC000802748264 700424367 /nfs/dbraw/zinc/42/43/67/700424367.db2.gz LFVLEMDXLJZNBK-YHWZYXNKSA-N 1 1 316.365 1.893 20 5 DDBDMO C[C@@H](C(=O)OCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000763400824 700936927 /nfs/dbraw/zinc/93/69/27/700936927.db2.gz BBKVUNWNULRBAW-CYBMUJFWSA-N 1 1 322.361 1.964 20 5 DDBDMO O=C(NCCN1CCc2c(Cl)cccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839733145 701802119 /nfs/dbraw/zinc/80/21/19/701802119.db2.gz IBKHOKQMANBUKC-TZMCWYRMSA-N 1 1 323.780 1.480 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000867982197 701871961 /nfs/dbraw/zinc/87/19/61/701871961.db2.gz LXRYOIAYZOPOAF-PEYYIBSZSA-N 1 1 321.377 1.795 20 5 DDBDMO C[N@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000840013921 701912335 /nfs/dbraw/zinc/91/23/35/701912335.db2.gz VXPJRCVZIAXQED-HNNXBMFYSA-N 1 1 305.334 1.974 20 5 DDBDMO C[N@@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000840013921 701912338 /nfs/dbraw/zinc/91/23/38/701912338.db2.gz VXPJRCVZIAXQED-HNNXBMFYSA-N 1 1 305.334 1.974 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812324833 702150548 /nfs/dbraw/zinc/15/05/48/702150548.db2.gz ZAOHAIZVYYXMNG-NWDGAFQWSA-N 1 1 319.361 1.627 20 5 DDBDMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000840567648 702157285 /nfs/dbraw/zinc/15/72/85/702157285.db2.gz AMAVKIGBNSUFSH-UHFFFAOYSA-N 1 1 315.414 1.391 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841036690 702318559 /nfs/dbraw/zinc/31/85/59/702318559.db2.gz VUCUTBYAUQKUDG-CQSZACIVSA-N 1 1 304.394 1.905 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841857395 702590164 /nfs/dbraw/zinc/59/01/64/702590164.db2.gz XQJHTJJEFONGMK-UHFFFAOYSA-N 1 1 322.699 1.641 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000843797212 702925764 /nfs/dbraw/zinc/92/57/64/702925764.db2.gz YDSLDZJGIKWOPH-NSHDSACASA-N 1 1 324.356 1.018 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000843797212 702925766 /nfs/dbraw/zinc/92/57/66/702925766.db2.gz YDSLDZJGIKWOPH-NSHDSACASA-N 1 1 324.356 1.018 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000843900829 702939717 /nfs/dbraw/zinc/93/97/17/702939717.db2.gz KEJLJOZDLDBFCU-MFKMUULPSA-N 1 1 307.325 1.818 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879561541 706718114 /nfs/dbraw/zinc/71/81/14/706718114.db2.gz QFXBGHGIWHEHGK-OLZOCXBDSA-N 1 1 321.402 1.879 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879577503 706724988 /nfs/dbraw/zinc/72/49/88/706724988.db2.gz JRKSOZRIZFNERO-BMFZPTHFSA-N 1 1 305.378 1.654 20 5 DDBDMO CCN1C[C@@H](C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000846901843 703349314 /nfs/dbraw/zinc/34/93/14/703349314.db2.gz QGCQXFQUDUPCOX-CYBMUJFWSA-N 1 1 307.350 1.910 20 5 DDBDMO COc1ccnc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000849330824 703635945 /nfs/dbraw/zinc/63/59/45/703635945.db2.gz CYHISLNEFLMYCC-CYBMUJFWSA-N 1 1 321.308 1.961 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOC(F)F)C2)nc1 ZINC000851843643 703868737 /nfs/dbraw/zinc/86/87/37/703868737.db2.gz JYYLMWVDCQTHCH-VIFPVBQESA-N 1 1 302.281 1.715 20 5 DDBDMO COC(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000851843887 703868815 /nfs/dbraw/zinc/86/88/15/703868815.db2.gz NYBWTXAJJLYTEE-NSHDSACASA-N 1 1 310.354 1.485 20 5 DDBDMO O=C1NC2(CO1)CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000851924356 703884019 /nfs/dbraw/zinc/88/40/19/703884019.db2.gz ZGGKDPBOXYNINY-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO CN(C[C@@H]1CCCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870922634 704170024 /nfs/dbraw/zinc/17/00/24/704170024.db2.gz KQJWVWKAPSWVJP-BLLLJJGKSA-N 1 1 321.377 1.654 20 5 DDBDMO CO[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000870927746 704171592 /nfs/dbraw/zinc/17/15/92/704171592.db2.gz FHAFOIOVYGIODF-PEYYIBSZSA-N 1 1 321.377 1.652 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994001 705350907 /nfs/dbraw/zinc/35/09/07/705350907.db2.gz MXFJQKBJVQPSCA-LLVKDONJSA-N 1 1 321.381 1.983 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827310045 705973381 /nfs/dbraw/zinc/97/33/81/705973381.db2.gz JJKDZNCTCYJWRH-ZFWWWQNUSA-N 1 1 303.362 1.690 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827358352 705984929 /nfs/dbraw/zinc/98/49/29/705984929.db2.gz XRYPVLAMQDANTA-BXUZGUMPSA-N 1 1 304.350 1.464 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827626233 706039733 /nfs/dbraw/zinc/03/97/33/706039733.db2.gz UISVVSHFWCWQEE-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000871993181 707272245 /nfs/dbraw/zinc/27/22/45/707272245.db2.gz MHTJCIKNHLKMQT-ABAIWWIYSA-N 1 1 322.361 1.759 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000830110207 706456526 /nfs/dbraw/zinc/45/65/26/706456526.db2.gz BQSDJGYEUARYBU-QPKOPYBWSA-N 1 1 303.362 1.907 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000866948392 706853234 /nfs/dbraw/zinc/85/32/34/706853234.db2.gz HYMJYRDYVMHIAX-LLVKDONJSA-N 1 1 309.341 1.829 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@@H]2CCOC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000880425584 706970378 /nfs/dbraw/zinc/97/03/78/706970378.db2.gz GHAWSLYHBHVUPG-DOMZBBRYSA-N 1 1 310.350 1.839 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CC=C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000880490159 706992750 /nfs/dbraw/zinc/99/27/50/706992750.db2.gz MLQWBORTPHWEPB-LBPRGKRZSA-N 1 1 305.334 1.465 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779583 707597052 /nfs/dbraw/zinc/59/70/52/707597052.db2.gz GTERTWXKJNRIIW-KBPBESRZSA-N 1 1 306.366 1.342 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000882487855 707659657 /nfs/dbraw/zinc/65/96/57/707659657.db2.gz KCAMDNMJUWQMDR-LBPRGKRZSA-N 1 1 306.366 1.241 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000882636704 707726643 /nfs/dbraw/zinc/72/66/43/707726643.db2.gz WCUYRQSATSUNSL-LLVKDONJSA-N 1 1 310.329 1.164 20 5 DDBDMO Cc1ccnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222609 708259929 /nfs/dbraw/zinc/25/99/29/708259929.db2.gz WEXNUHHKLXNZFT-QWHCGFSZSA-N 1 1 306.366 1.334 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000912603695 713044134 /nfs/dbraw/zinc/04/41/34/713044134.db2.gz LSOQTMQFURTIHX-UHFFFAOYSA-N 1 1 323.393 1.255 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000886021129 708682750 /nfs/dbraw/zinc/68/27/50/708682750.db2.gz PJVCUCHRJZEGKR-ZDUSSCGKSA-N 1 1 306.366 1.144 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000886021129 708682753 /nfs/dbraw/zinc/68/27/53/708682753.db2.gz PJVCUCHRJZEGKR-ZDUSSCGKSA-N 1 1 306.366 1.144 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886463236 708764218 /nfs/dbraw/zinc/76/42/18/708764218.db2.gz UKDPIHMRHWMSMO-CQSZACIVSA-N 1 1 303.322 1.126 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886463236 708764220 /nfs/dbraw/zinc/76/42/20/708764220.db2.gz UKDPIHMRHWMSMO-CQSZACIVSA-N 1 1 303.322 1.126 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887926289 709166447 /nfs/dbraw/zinc/16/64/47/709166447.db2.gz CUDQBEHXHCSBRQ-ZUZCIYMTSA-N 1 1 319.365 1.055 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889778943 709630673 /nfs/dbraw/zinc/63/06/73/709630673.db2.gz CEBSESVAAWCXKD-GJZGRUSLSA-N 1 1 319.361 1.266 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912916749 713123042 /nfs/dbraw/zinc/12/30/42/713123042.db2.gz RLZFVEFAVHALHZ-JTQLQIEISA-N 1 1 307.354 1.191 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103563 713131607 /nfs/dbraw/zinc/13/16/07/713131607.db2.gz RGHPDJVSVAXOQP-ZIAGYGMSSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103563 713131609 /nfs/dbraw/zinc/13/16/09/713131609.db2.gz RGHPDJVSVAXOQP-ZIAGYGMSSA-N 1 1 321.402 1.904 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913289234 713192420 /nfs/dbraw/zinc/19/24/20/713192420.db2.gz KJYHKQKYNAOAOR-ZIAGYGMSSA-N 1 1 307.354 1.040 20 5 DDBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928560790 713227345 /nfs/dbraw/zinc/22/73/45/713227345.db2.gz VLOUWVGMLIPRFL-UKRRQHHQSA-N 1 1 305.378 1.984 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317502 711096028 /nfs/dbraw/zinc/09/60/28/711096028.db2.gz LRRAXEWTSGNXDW-LSDHHAIUSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903317502 711096032 /nfs/dbraw/zinc/09/60/32/711096032.db2.gz LRRAXEWTSGNXDW-LSDHHAIUSA-N 1 1 315.377 1.711 20 5 DDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000895248478 711465236 /nfs/dbraw/zinc/46/52/36/711465236.db2.gz LYUYYPNWFLNRFB-JOYOIKCWSA-N 1 1 313.789 1.689 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000895771331 711602134 /nfs/dbraw/zinc/60/21/34/711602134.db2.gz YHOLMYRLUUFVMP-CQSZACIVSA-N 1 1 320.393 1.543 20 5 DDBDMO C[N@H+]1CCC[C@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000917357464 713494700 /nfs/dbraw/zinc/49/47/00/713494700.db2.gz UNAVSQRCYGLLOI-LBPRGKRZSA-N 1 1 304.306 1.506 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)C1(O)CCC1)C1CC1 ZINC000930061227 713746854 /nfs/dbraw/zinc/74/68/54/713746854.db2.gz PGYQSKNINMUWHG-HNNXBMFYSA-N 1 1 306.362 1.835 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)C1(O)CCC1)C1CC1 ZINC000930061227 713746855 /nfs/dbraw/zinc/74/68/55/713746855.db2.gz PGYQSKNINMUWHG-HNNXBMFYSA-N 1 1 306.362 1.835 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930441074 713836020 /nfs/dbraw/zinc/83/60/20/713836020.db2.gz QXWKVHMGTLHOKI-OFQRWUPVSA-N 1 1 306.362 1.873 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704876 714165668 /nfs/dbraw/zinc/16/56/68/714165668.db2.gz RZYPANHCMONAFE-RDJZCZTQSA-N 1 1 319.405 1.629 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000933040815 714506192 /nfs/dbraw/zinc/50/61/92/714506192.db2.gz LLIQHOWCSZUEEN-CYBMUJFWSA-N 1 1 323.324 1.119 20 5 DDBDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000933760589 714666290 /nfs/dbraw/zinc/66/62/90/714666290.db2.gz VMAGLGXEBCTPKY-LRDDRELGSA-N 1 1 319.361 1.691 20 5 DDBDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933765891 714667654 /nfs/dbraw/zinc/66/76/54/714667654.db2.gz BWDCRHQBAVHXQV-HNNXBMFYSA-N 1 1 318.377 1.901 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120311 714747118 /nfs/dbraw/zinc/74/71/18/714747118.db2.gz SXFWWODOEKMBNS-ZIAGYGMSSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120311 714747120 /nfs/dbraw/zinc/74/71/20/714747120.db2.gz SXFWWODOEKMBNS-ZIAGYGMSSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121650 714747873 /nfs/dbraw/zinc/74/78/73/714747873.db2.gz NZZFCBHPBKAFSJ-KBPBESRZSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121650 714747876 /nfs/dbraw/zinc/74/78/76/714747876.db2.gz NZZFCBHPBKAFSJ-KBPBESRZSA-N 1 1 307.350 1.951 20 5 DDBDMO Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000934271498 714782391 /nfs/dbraw/zinc/78/23/91/714782391.db2.gz HFENQDOAEIMLST-HOTGVXAUSA-N 1 1 319.405 1.934 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001121008533 782293338 /nfs/dbraw/zinc/29/33/38/782293338.db2.gz FMVLKIVBSXDQOJ-MVWJERBFSA-N 1 1 320.349 1.529 20 5 DDBDMO CCCC[N@@H+](C)CC1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001121299908 782448417 /nfs/dbraw/zinc/44/84/17/782448417.db2.gz QZKGHHHDFPORGL-UHFFFAOYSA-N 1 1 324.429 1.540 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC001181244368 743108897 /nfs/dbraw/zinc/10/88/97/743108897.db2.gz QKVAJAALUPIXRN-JTQLQIEISA-N 1 1 323.349 1.410 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC001181838908 743361255 /nfs/dbraw/zinc/36/12/55/743361255.db2.gz IDGHKMDVQAPZES-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]([C@H](C)O)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723992 746449889 /nfs/dbraw/zinc/44/98/89/746449889.db2.gz PKXDHVRPLYZCIT-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO CCc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661524 747337734 /nfs/dbraw/zinc/33/77/34/747337734.db2.gz AGVCXQSRPYOZCF-HZPDHXFCSA-N 1 1 317.389 1.462 20 5 DDBDMO O=C(NCC1=CCN(Cc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674518 762078873 /nfs/dbraw/zinc/07/88/73/762078873.db2.gz PMYBKNCQHWKTFB-CHWSQXEVSA-N 1 1 322.390 1.057 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC001035186921 751287866 /nfs/dbraw/zinc/28/78/66/751287866.db2.gz LLSONHSYENPOCY-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001035186921 751287869 /nfs/dbraw/zinc/28/78/69/751287869.db2.gz LLSONHSYENPOCY-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC001035186921 751287872 /nfs/dbraw/zinc/28/78/72/751287872.db2.gz LLSONHSYENPOCY-CHWSQXEVSA-N 1 1 313.373 1.326 20 5 DDBDMO CCn1nnc2c1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2COC ZINC001169022282 762200900 /nfs/dbraw/zinc/20/09/00/762200900.db2.gz RQTAVOGLFBBUGT-BZPMIXESSA-N 1 1 323.397 1.289 20 5 DDBDMO CCn1nnc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2COC ZINC001169022282 762200903 /nfs/dbraw/zinc/20/09/03/762200903.db2.gz RQTAVOGLFBBUGT-BZPMIXESSA-N 1 1 323.397 1.289 20 5 DDBDMO CC(=O)N1CCC2(C1)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC001040560227 762595024 /nfs/dbraw/zinc/59/50/24/762595024.db2.gz IPFDITTWXDKFAE-UHFFFAOYSA-N 1 1 321.381 1.163 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040701306 762653720 /nfs/dbraw/zinc/65/37/20/762653720.db2.gz YFVYRAJVBKCFEP-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139137 760612961 /nfs/dbraw/zinc/61/29/61/760612961.db2.gz SDKHKEOOCHFBPS-AAVRWANBSA-N 1 1 323.780 1.742 20 5 DDBDMO CSc1nc(Cl)nc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001159784945 771926272 /nfs/dbraw/zinc/92/62/72/771926272.db2.gz MWIDWOMWEDEIHC-RXMQYKEDSA-N 1 1 306.779 1.196 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093952615 775259828 /nfs/dbraw/zinc/25/98/28/775259828.db2.gz IGYQKLWWCABVGU-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO O=C1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172908780 776917905 /nfs/dbraw/zinc/91/79/05/776917905.db2.gz ODVSUGWTODDAJM-AWEZNQCLSA-N 1 1 303.362 1.664 20 5 DDBDMO C[C@H]1C(=O)NCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908137 776918095 /nfs/dbraw/zinc/91/80/95/776918095.db2.gz BCKJZTCGPQFMBT-SMDDNHRTSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@H]1C(=O)NCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908137 776918098 /nfs/dbraw/zinc/91/80/98/776918098.db2.gz BCKJZTCGPQFMBT-SMDDNHRTSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001173227587 777062488 /nfs/dbraw/zinc/06/24/88/777062488.db2.gz RCKIUXRDKGIMCO-RHSMWYFYSA-N 1 1 319.405 1.932 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001119948627 781693412 /nfs/dbraw/zinc/69/34/12/781693412.db2.gz QELVHAFMNDOANR-YPMHNXCESA-N 1 1 305.382 1.781 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001120058673 781742119 /nfs/dbraw/zinc/74/21/19/781742119.db2.gz XVHSSIHSYLJBGU-UHFFFAOYSA-N 1 1 319.308 1.557 20 5 DDBDMO CCN(CC[NH2+]Cc1ccc(OC)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450221 840211676 /nfs/dbraw/zinc/21/16/76/840211676.db2.gz STNMRCKRNDWVQY-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO CCOCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274333454 852166870 /nfs/dbraw/zinc/16/68/70/852166870.db2.gz UBJRULSEOSCROA-CHWSQXEVSA-N 1 1 313.398 1.049 20 5 DDBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)o1 ZINC001123397135 859213392 /nfs/dbraw/zinc/21/33/92/859213392.db2.gz NZDWTOWFXJVLLI-UHFFFAOYSA-N 1 1 321.337 1.058 20 5 DDBDMO C[N@H+]1CCC[C@H]1CO[C@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001224829519 881549557 /nfs/dbraw/zinc/54/95/57/881549557.db2.gz JXUROGUQHXMQFO-SWLSCSKDSA-N 1 1 308.334 1.844 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313640 860825003 /nfs/dbraw/zinc/82/50/03/860825003.db2.gz HKBSOLALDJVALY-GLPPDTDBSA-N 1 1 319.336 1.863 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313640 860825009 /nfs/dbraw/zinc/82/50/09/860825009.db2.gz HKBSOLALDJVALY-GLPPDTDBSA-N 1 1 319.336 1.863 20 5 DDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157260242 863688035 /nfs/dbraw/zinc/68/80/35/863688035.db2.gz INIQPVVXJDNMCV-UWVGGRQHSA-N 1 1 311.773 1.877 20 5 DDBDMO O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775283 864131184 /nfs/dbraw/zinc/13/11/84/864131184.db2.gz NMRRKXURQOQWOD-ZIAGYGMSSA-N 1 1 309.410 1.718 20 5 DDBDMO C[N@H+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC001331492355 865115513 /nfs/dbraw/zinc/11/55/13/865115513.db2.gz IUCQGNOKWGVGBP-UHFFFAOYSA-N 1 1 303.366 1.928 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159884672 865580720 /nfs/dbraw/zinc/58/07/20/865580720.db2.gz JVHDOLJHPXIQHN-LOWVWBTDSA-N 1 1 304.350 1.247 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001332401692 865814924 /nfs/dbraw/zinc/81/49/24/865814924.db2.gz KHYRDRSRDPNIIW-LSDHHAIUSA-N 1 1 318.377 1.945 20 5 DDBDMO COCC(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333269662 866577195 /nfs/dbraw/zinc/57/71/95/866577195.db2.gz XIXZQXUSPCJTSA-UHFFFAOYSA-N 1 1 319.361 1.490 20 5 DDBDMO COCC(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333269662 866577210 /nfs/dbraw/zinc/57/72/10/866577210.db2.gz XIXZQXUSPCJTSA-UHFFFAOYSA-N 1 1 319.361 1.490 20 5 DDBDMO CC[N@H+]1CCCN(c2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])CC1 ZINC001163773675 868693635 /nfs/dbraw/zinc/69/36/35/868693635.db2.gz WXXBBORFVDWYTK-UHFFFAOYSA-N 1 1 322.369 1.184 20 5 DDBDMO C[C@@H](CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001336754489 869125414 /nfs/dbraw/zinc/12/54/14/869125414.db2.gz LRQAONLEWKGULJ-QWHCGFSZSA-N 1 1 311.382 1.264 20 5 DDBDMO Cc1[nH+]cc2n1CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165384610 869556108 /nfs/dbraw/zinc/55/61/08/869556108.db2.gz KNISEQOYYLVHJT-UHFFFAOYSA-N 1 1 308.729 1.872 20 5 DDBDMO Cc1[nH+]cc2n1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2 ZINC001165385960 869559172 /nfs/dbraw/zinc/55/91/72/869559172.db2.gz UUJOSCJZRUAEBN-UHFFFAOYSA-N 1 1 309.713 1.407 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC001337678390 869591969 /nfs/dbraw/zinc/59/19/69/869591969.db2.gz HTXRCCITBIOMGR-NHYWBVRUSA-N 1 1 308.382 1.650 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001166032323 869808460 /nfs/dbraw/zinc/80/84/60/869808460.db2.gz FLGVYGMFEUTYCP-UHFFFAOYSA-N 1 1 320.353 1.206 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1 ZINC001226443543 882434647 /nfs/dbraw/zinc/43/46/47/882434647.db2.gz XWBRNLVRLWEXJB-CUOATXAZSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1 ZINC001226443543 882434655 /nfs/dbraw/zinc/43/46/55/882434655.db2.gz XWBRNLVRLWEXJB-CUOATXAZSA-N 1 1 306.318 1.786 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001339923681 870787566 /nfs/dbraw/zinc/78/75/66/870787566.db2.gz WHIIBYKAXPFHKS-AWEZNQCLSA-N 1 1 306.366 1.878 20 5 DDBDMO CCC(C)(C)C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277157578 882672131 /nfs/dbraw/zinc/67/21/31/882672131.db2.gz DZYUWKYZICQRJF-UHFFFAOYSA-N 1 1 323.397 1.503 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001227109369 882839675 /nfs/dbraw/zinc/83/96/75/882839675.db2.gz XZLKVQHOLCZVLD-JZYVYDRUSA-N 1 1 308.294 1.902 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1C1CCCC1 ZINC001350603641 875781319 /nfs/dbraw/zinc/78/13/19/875781319.db2.gz WIPJIKGJGNQGND-JTQLQIEISA-N 1 1 307.354 1.407 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC001350914987 875955733 /nfs/dbraw/zinc/95/57/33/875955733.db2.gz GAVKBMRVNSFFIJ-WFBYXXMGSA-N 1 1 307.325 1.804 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C1CCCC1 ZINC001352968657 877045706 /nfs/dbraw/zinc/04/57/06/877045706.db2.gz HFRPTWUTKJDQIE-GFCCVEGCSA-N 1 1 321.381 1.267 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414030 878545032 /nfs/dbraw/zinc/54/50/32/878545032.db2.gz ASNDSVMJQKZSSC-NEPJUHHUSA-N 1 1 310.402 1.321 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1COC[C@H]1C[N@H+](C)CCO1 ZINC001223449041 880966632 /nfs/dbraw/zinc/96/66/32/880966632.db2.gz VNCYULBNXBBCDJ-CYBMUJFWSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1COC[C@H]1C[N@@H+](C)CCO1 ZINC001223449041 880966644 /nfs/dbraw/zinc/96/66/44/880966644.db2.gz VNCYULBNXBBCDJ-CYBMUJFWSA-N 1 1 324.333 1.229 20 5 DDBDMO COc1ccc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c([N+](=O)[O-])c1 ZINC001223513748 880988353 /nfs/dbraw/zinc/98/83/53/880988353.db2.gz HBGHPJSKMYYGID-XZJROXQQSA-N 1 1 320.345 1.924 20 5 DDBDMO C[N@@H+]1CCO[C@H](COCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224095712 881212667 /nfs/dbraw/zinc/21/26/67/881212667.db2.gz CTEQSUSHZZGJFH-LBPRGKRZSA-N 1 1 311.294 1.350 20 5 DDBDMO C[N@H+]1CCO[C@H](COCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224095712 881212682 /nfs/dbraw/zinc/21/26/82/881212682.db2.gz CTEQSUSHZZGJFH-LBPRGKRZSA-N 1 1 311.294 1.350 20 5 DDBDMO OC[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219309 886166469 /nfs/dbraw/zinc/16/64/69/886166469.db2.gz SOTSTVUVIYSOPA-DOTOQJQBSA-N 1 1 323.396 1.958 20 5 DDBDMO COCCCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001234398730 887934761 /nfs/dbraw/zinc/93/47/61/887934761.db2.gz UZPFOQCQVXHROG-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO O=C1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCN1 ZINC001254473897 896456943 /nfs/dbraw/zinc/45/69/43/896456943.db2.gz JJDGIHRIFZYEPA-UHFFFAOYSA-N 1 1 318.377 1.386 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001254559556 896503003 /nfs/dbraw/zinc/50/30/03/896503003.db2.gz KXDIZPGAHXQMRD-WCQYABFASA-N 1 1 305.334 1.662 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001254559556 896503014 /nfs/dbraw/zinc/50/30/14/896503014.db2.gz KXDIZPGAHXQMRD-WCQYABFASA-N 1 1 305.334 1.662 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612472 896532710 /nfs/dbraw/zinc/53/27/10/896532710.db2.gz WTGHAYFTYDWFBV-GDBMZVCRSA-N 1 1 304.346 1.947 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001262826143 900388121 /nfs/dbraw/zinc/38/81/21/900388121.db2.gz CTNNKWSMTICKHI-MRVWCRGKSA-N 1 1 303.362 1.973 20 5 DDBDMO Cc1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001264010883 900871515 /nfs/dbraw/zinc/87/15/15/900871515.db2.gz NTGOPCKNHJMBAM-CYBMUJFWSA-N 1 1 305.334 1.562 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248880791 282114665 /nfs/dbraw/zinc/11/46/65/282114665.db2.gz DCRGXLTXMQCLSY-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@]12C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378585 231081870 /nfs/dbraw/zinc/08/18/70/231081870.db2.gz YLHKBCFTWRHOJX-CXUGXGMPSA-N 1 1 315.373 1.901 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000295639899 529504193 /nfs/dbraw/zinc/50/41/93/529504193.db2.gz GNYHOBVILAKFDN-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000295639899 529504194 /nfs/dbraw/zinc/50/41/94/529504194.db2.gz GNYHOBVILAKFDN-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000452388731 231374574 /nfs/dbraw/zinc/37/45/74/231374574.db2.gz KGEVGXGFFMILCK-AWEZNQCLSA-N 1 1 307.350 1.171 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000295175247 529786028 /nfs/dbraw/zinc/78/60/28/529786028.db2.gz GTZUTAXWDQSJNY-HNNXBMFYSA-N 1 1 324.356 1.434 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000451627038 529798139 /nfs/dbraw/zinc/79/81/39/529798139.db2.gz GHGOGRYTYMWSGP-MFKMUULPSA-N 1 1 302.334 1.872 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCOCC1 ZINC000445674724 529932864 /nfs/dbraw/zinc/93/28/64/529932864.db2.gz IIGVGNHUURKGLE-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000458170332 530060421 /nfs/dbraw/zinc/06/04/21/530060421.db2.gz PCCWDXMWRRDVLL-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)O ZINC000181706447 199342188 /nfs/dbraw/zinc/34/21/88/199342188.db2.gz ACZRTHRLTRGZIA-UHFFFAOYSA-N 1 1 313.329 1.765 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305640246 282398407 /nfs/dbraw/zinc/39/84/07/282398407.db2.gz JOFILSGTWBLCKC-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305640246 282398409 /nfs/dbraw/zinc/39/84/09/282398409.db2.gz JOFILSGTWBLCKC-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358453091 299156715 /nfs/dbraw/zinc/15/67/15/299156715.db2.gz IDXRTJAKTNIADS-AWEZNQCLSA-N 1 1 308.338 1.091 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000459597742 233351140 /nfs/dbraw/zinc/35/11/40/233351140.db2.gz PJNJWTWOOVVFHP-RBSFLKMASA-N 1 1 316.361 1.921 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000152635656 186092664 /nfs/dbraw/zinc/09/26/64/186092664.db2.gz FVBMPQRAYCFDHH-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2c(F)cccc2C1 ZINC000152635656 186092666 /nfs/dbraw/zinc/09/26/66/186092666.db2.gz FVBMPQRAYCFDHH-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO COc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000155790813 186113447 /nfs/dbraw/zinc/11/34/47/186113447.db2.gz YPHSYEARDHOPMK-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CCCC1 ZINC000171510155 186170950 /nfs/dbraw/zinc/17/09/50/186170950.db2.gz JKJNDBNPDVQOQR-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000191854508 186264555 /nfs/dbraw/zinc/26/45/55/186264555.db2.gz VMXLUOKTKZIKBP-NWDGAFQWSA-N 1 1 321.381 1.368 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000058298853 352842235 /nfs/dbraw/zinc/84/22/35/352842235.db2.gz QXIRWGVNCCZTAQ-GJZGRUSLSA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000065733067 352960671 /nfs/dbraw/zinc/96/06/71/352960671.db2.gz YUHOHHCHOJRLKI-RYUDHWBXSA-N 1 1 323.397 1.479 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703540 353063366 /nfs/dbraw/zinc/06/33/66/353063366.db2.gz NCFXVYKPHLZRAG-LLVKDONJSA-N 1 1 305.334 1.570 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067191904 353038396 /nfs/dbraw/zinc/03/83/96/353038396.db2.gz JDKPVLBQGKLRQM-UHFFFAOYSA-N 1 1 309.322 1.048 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000067285423 353042012 /nfs/dbraw/zinc/04/20/12/353042012.db2.gz HPTNFLUUIGXJFD-GFCCVEGCSA-N 1 1 321.337 1.194 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068775388 353129146 /nfs/dbraw/zinc/12/91/46/353129146.db2.gz KVZSIWCGQQMTEI-UHFFFAOYSA-N 1 1 309.370 1.124 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069529206 353166188 /nfs/dbraw/zinc/16/61/88/353166188.db2.gz WRAKFHNQQNVCCX-CQSZACIVSA-N 1 1 307.350 1.435 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072831145 353220122 /nfs/dbraw/zinc/22/01/22/353220122.db2.gz LOBLSTUSQIRXJG-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072831145 353220126 /nfs/dbraw/zinc/22/01/26/353220126.db2.gz LOBLSTUSQIRXJG-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO CC[N@@H+](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000080259136 353599153 /nfs/dbraw/zinc/59/91/53/353599153.db2.gz HEQHXODKAMAHBV-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000083444014 353709775 /nfs/dbraw/zinc/70/97/75/353709775.db2.gz UQCGMFINKSYDNN-UHFFFAOYSA-N 1 1 317.349 1.971 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000089265361 353763831 /nfs/dbraw/zinc/76/38/31/353763831.db2.gz ZBKRSPBZEVKMSJ-LBPRGKRZSA-N 1 1 322.365 1.372 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038512 354223505 /nfs/dbraw/zinc/22/35/05/354223505.db2.gz HONAWWFSCWSRTM-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038512 354223508 /nfs/dbraw/zinc/22/35/08/354223508.db2.gz HONAWWFSCWSRTM-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178541 283014180 /nfs/dbraw/zinc/01/41/80/283014180.db2.gz LLZLRWIMXJCWIV-QJPTWQEYSA-N 1 1 321.381 1.131 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2c[nH+]cn2C)n1 ZINC000401831881 354667175 /nfs/dbraw/zinc/66/71/75/354667175.db2.gz GNLIJSJPIBYSBU-UHFFFAOYSA-N 1 1 305.294 1.165 20 5 DDBDMO Cn1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1=O ZINC000586773492 354863617 /nfs/dbraw/zinc/86/36/17/354863617.db2.gz DCSIYWTWOLAOPS-UHFFFAOYSA-N 1 1 301.346 1.968 20 5 DDBDMO C[C@H]([C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[NH+]1CCOCC1 ZINC000587882052 354886313 /nfs/dbraw/zinc/88/63/13/354886313.db2.gz RVBINPWAZUTNER-WDEREUQCSA-N 1 1 324.381 1.190 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000587979575 354888909 /nfs/dbraw/zinc/88/89/09/354888909.db2.gz LTMAFOJHUCCGMG-ZDUSSCGKSA-N 1 1 322.384 1.950 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000588863062 354944071 /nfs/dbraw/zinc/94/40/71/354944071.db2.gz OOFINFKFHLTVEX-UONOGXRCSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864065 354944469 /nfs/dbraw/zinc/94/44/69/354944469.db2.gz ZWTFBWLLUHNZFK-ZIAGYGMSSA-N 1 1 319.361 1.184 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977626 354953761 /nfs/dbraw/zinc/95/37/61/354953761.db2.gz QPXPQEGHZXDXJL-LLVKDONJSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977626 354953762 /nfs/dbraw/zinc/95/37/62/354953762.db2.gz QPXPQEGHZXDXJL-LLVKDONJSA-N 1 1 320.349 1.039 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC2(O)CCC2)c1 ZINC000589510511 354997662 /nfs/dbraw/zinc/99/76/62/354997662.db2.gz WFLJPPMXHNDTIX-UHFFFAOYSA-N 1 1 308.334 1.728 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000590044699 355043422 /nfs/dbraw/zinc/04/34/22/355043422.db2.gz MFTWICXGYRRWNP-FZMZJTMJSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000590561798 355114743 /nfs/dbraw/zinc/11/47/43/355114743.db2.gz GVVWGHBUWDPENZ-MNOVXSKESA-N 1 1 309.322 1.123 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000590403329 355085773 /nfs/dbraw/zinc/08/57/73/355085773.db2.gz KSBNHEGZLQRNQW-ONGXEEELSA-N 1 1 309.370 1.435 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590443374 355097596 /nfs/dbraw/zinc/09/75/96/355097596.db2.gz IMZHFRHEEDPNJG-RISCZKNCSA-N 1 1 305.334 1.136 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765854 355172812 /nfs/dbraw/zinc/17/28/12/355172812.db2.gz ZMZRSMBLDAYZQJ-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@@H]1CN(CCO)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765854 355172816 /nfs/dbraw/zinc/17/28/16/355172816.db2.gz ZMZRSMBLDAYZQJ-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@@H]1CN(CCO)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765854 355172820 /nfs/dbraw/zinc/17/28/20/355172820.db2.gz ZMZRSMBLDAYZQJ-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000591083759 355244921 /nfs/dbraw/zinc/24/49/21/355244921.db2.gz DPLHDZOLGYCNDL-BVUBDWEXSA-N 1 1 315.373 1.861 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCNC1CC1 ZINC000591577222 355329626 /nfs/dbraw/zinc/32/96/26/355329626.db2.gz CPJSDIDIILUTIN-LLVKDONJSA-N 1 1 306.366 1.654 20 5 DDBDMO C[N@@H+]1CCO[C@H](CSc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000591953442 355444948 /nfs/dbraw/zinc/44/49/48/355444948.db2.gz HPQMGEHTXSVOOF-NSHDSACASA-N 1 1 320.374 1.961 20 5 DDBDMO C[N@H+]1CCO[C@H](CSc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000591953442 355444949 /nfs/dbraw/zinc/44/49/49/355444949.db2.gz HPQMGEHTXSVOOF-NSHDSACASA-N 1 1 320.374 1.961 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592198753 355534235 /nfs/dbraw/zinc/53/42/35/355534235.db2.gz RUQZTPIGHVQUAO-LSDHHAIUSA-N 1 1 308.382 1.807 20 5 DDBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593107957 355800153 /nfs/dbraw/zinc/80/01/53/355800153.db2.gz RTRVCCUDSCLMQD-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593107957 355800156 /nfs/dbraw/zinc/80/01/56/355800156.db2.gz RTRVCCUDSCLMQD-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000593188848 355821321 /nfs/dbraw/zinc/82/13/21/355821321.db2.gz RPHPUJJZCQSUDQ-MXWKQRLJSA-N 1 1 309.370 1.039 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000593420861 355880183 /nfs/dbraw/zinc/88/01/83/355880183.db2.gz IJLAUQFQUWZODC-GFCCVEGCSA-N 1 1 307.325 1.629 20 5 DDBDMO CCc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593853853 356024022 /nfs/dbraw/zinc/02/40/22/356024022.db2.gz GHVNXPISIAMMOY-CQSZACIVSA-N 1 1 319.361 1.048 20 5 DDBDMO CCc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593853853 356024027 /nfs/dbraw/zinc/02/40/27/356024027.db2.gz GHVNXPISIAMMOY-CQSZACIVSA-N 1 1 319.361 1.048 20 5 DDBDMO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[NH+]2CCCCC2)nn1 ZINC000594651300 356275137 /nfs/dbraw/zinc/27/51/37/356275137.db2.gz BKMBRZNTJDVHPA-UHFFFAOYSA-N 1 1 303.322 1.867 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594731222 356299931 /nfs/dbraw/zinc/29/99/31/356299931.db2.gz GUAJIIITSFZYDI-GFCCVEGCSA-N 1 1 319.365 1.554 20 5 DDBDMO Cc1cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000594847165 356335822 /nfs/dbraw/zinc/33/58/22/356335822.db2.gz OLJILTQFWSERHJ-UHFFFAOYSA-N 1 1 313.379 1.085 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000272209567 283153638 /nfs/dbraw/zinc/15/36/38/283153638.db2.gz PXRNYWMHVZGYGQ-VHSXEESVSA-N 1 1 307.379 1.834 20 5 DDBDMO CCN1CC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373219 356469387 /nfs/dbraw/zinc/46/93/87/356469387.db2.gz YPFNLAJVTUIKPC-YPMHNXCESA-N 1 1 319.365 1.097 20 5 DDBDMO CCN1CC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595373219 356469391 /nfs/dbraw/zinc/46/93/91/356469391.db2.gz YPFNLAJVTUIKPC-YPMHNXCESA-N 1 1 319.365 1.097 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595387621 356474577 /nfs/dbraw/zinc/47/45/77/356474577.db2.gz FWHIGYOCGWFEMY-CQSZACIVSA-N 1 1 309.341 1.640 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488767895 283171062 /nfs/dbraw/zinc/17/10/62/283171062.db2.gz LJRPKPDSVWXJPK-HNNXBMFYSA-N 1 1 304.350 1.226 20 5 DDBDMO Cc1noc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[N+](=O)[O-] ZINC000595459902 356501437 /nfs/dbraw/zinc/50/14/37/356501437.db2.gz AWAZWKXTXATVBT-UHFFFAOYSA-N 1 1 308.338 1.336 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595505800 356522421 /nfs/dbraw/zinc/52/24/21/356522421.db2.gz YNVNPIZHEWIAQG-MRXNPFEDSA-N 1 1 320.393 1.174 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595727837 356624500 /nfs/dbraw/zinc/62/45/00/356624500.db2.gz DLFQCCWPAUKJJN-ZWNOBZJWSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595727837 356624503 /nfs/dbraw/zinc/62/45/03/356624503.db2.gz DLFQCCWPAUKJJN-ZWNOBZJWSA-N 1 1 307.325 1.834 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COCCO1 ZINC000595735753 356627948 /nfs/dbraw/zinc/62/79/48/356627948.db2.gz CCUCLFOTKSXFOL-LLVKDONJSA-N 1 1 307.306 1.583 20 5 DDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1COCCO1 ZINC000595735753 356627951 /nfs/dbraw/zinc/62/79/51/356627951.db2.gz CCUCLFOTKSXFOL-LLVKDONJSA-N 1 1 307.306 1.583 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595738561 356629521 /nfs/dbraw/zinc/62/95/21/356629521.db2.gz WFNGPFLJBBPIAX-AWEZNQCLSA-N 1 1 323.349 1.271 20 5 DDBDMO C[NH+](C)CCC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595907155 356700942 /nfs/dbraw/zinc/70/09/42/356700942.db2.gz REDHPRKNCMTZAX-OAHLLOKOSA-N 1 1 323.393 1.843 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596129859 356784865 /nfs/dbraw/zinc/78/48/65/356784865.db2.gz RRRMSCGRJLLWHR-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC000596137027 356787605 /nfs/dbraw/zinc/78/76/05/356787605.db2.gz OCOUWMXJLSARGC-ZYHUDNBSSA-N 1 1 306.366 1.613 20 5 DDBDMO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596299259 356849537 /nfs/dbraw/zinc/84/95/37/356849537.db2.gz QZMAKEQLQYTNOS-GARJFASQSA-N 1 1 310.354 1.605 20 5 DDBDMO C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596299259 356849542 /nfs/dbraw/zinc/84/95/42/356849542.db2.gz QZMAKEQLQYTNOS-GARJFASQSA-N 1 1 310.354 1.605 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597209902 357094473 /nfs/dbraw/zinc/09/44/73/357094473.db2.gz FJOFLBIOCGYQFG-MLGOLLRUSA-N 1 1 320.345 1.834 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000597710892 357297015 /nfs/dbraw/zinc/29/70/15/357297015.db2.gz PWZLBWNIGXGYAN-HNNXBMFYSA-N 1 1 321.381 1.369 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000597858783 357361097 /nfs/dbraw/zinc/36/10/97/357361097.db2.gz OZTGKSTVTHGQOB-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597945618 357393885 /nfs/dbraw/zinc/39/38/85/357393885.db2.gz JXKBXNZHCYLSJP-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCC)C2)c1[N+](=O)[O-] ZINC000598341876 357544292 /nfs/dbraw/zinc/54/42/92/357544292.db2.gz HOLNBPDFYTWOGA-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000598341801 357544658 /nfs/dbraw/zinc/54/46/58/357544658.db2.gz GJZBTRQTHPUKIN-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598343142 357545836 /nfs/dbraw/zinc/54/58/36/357545836.db2.gz RHPZVGRGYKPJOM-JTQLQIEISA-N 1 1 317.349 1.685 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598643499 357666461 /nfs/dbraw/zinc/66/64/61/357666461.db2.gz LMUYIPKAVOKOKM-UMVBOHGHSA-N 1 1 324.377 1.285 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000599939518 358086240 /nfs/dbraw/zinc/08/62/40/358086240.db2.gz WCQSNWKSFXQUOO-QWHCGFSZSA-N 1 1 319.361 1.184 20 5 DDBDMO CN(CCN1CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601111298 358406497 /nfs/dbraw/zinc/40/64/97/358406497.db2.gz RDEKEVWYPKNXKS-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(NCC[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000601204960 358446470 /nfs/dbraw/zinc/44/64/70/358446470.db2.gz VNQLBDYOQDZOTL-LBPRGKRZSA-N 1 1 302.334 1.043 20 5 DDBDMO CNC(=O)[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601140075 358418026 /nfs/dbraw/zinc/41/80/26/358418026.db2.gz RACNZRBGLZSFIF-CQSZACIVSA-N 1 1 316.317 1.094 20 5 DDBDMO CCn1cncc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149180 358422062 /nfs/dbraw/zinc/42/20/62/358422062.db2.gz KIHUICBJLRHHAN-OAHLLOKOSA-N 1 1 304.350 1.809 20 5 DDBDMO C[C@@H](O)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601176305 358434984 /nfs/dbraw/zinc/43/49/84/358434984.db2.gz USUQYTQOSAPINB-BMIGLBTASA-N 1 1 303.318 1.729 20 5 DDBDMO Cc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000565579970 304077241 /nfs/dbraw/zinc/07/72/41/304077241.db2.gz OXGREKMDVBFPGM-STQMWFEESA-N 1 1 321.381 1.749 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776164 358690690 /nfs/dbraw/zinc/69/06/90/358690690.db2.gz HICOPDMTSNUAEB-MLGOLLRUSA-N 1 1 321.377 1.260 20 5 DDBDMO O=[N+]([O-])c1ccn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000601960889 358754635 /nfs/dbraw/zinc/75/46/35/358754635.db2.gz XIWVXXGUSVBSGZ-HNNXBMFYSA-N 1 1 302.334 1.428 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602099085 358812460 /nfs/dbraw/zinc/81/24/60/358812460.db2.gz WXZCQUDVIWTMOF-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOC[C@@H]3CCOC3)nc2c1 ZINC000602534676 359031975 /nfs/dbraw/zinc/03/19/75/359031975.db2.gz JAHJQHYJRJONIM-LLVKDONJSA-N 1 1 321.333 1.879 20 5 DDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000602486612 359010611 /nfs/dbraw/zinc/01/06/11/359010611.db2.gz VSYLWVHMINOXPU-PHIMTYICSA-N 1 1 320.267 1.541 20 5 DDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000602486612 359010615 /nfs/dbraw/zinc/01/06/15/359010615.db2.gz VSYLWVHMINOXPU-PHIMTYICSA-N 1 1 320.267 1.541 20 5 DDBDMO Cn1cc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])n1 ZINC000602620620 359079297 /nfs/dbraw/zinc/07/92/97/359079297.db2.gz YNAHQTCNGZFUEX-INIZCTEOSA-N 1 1 314.345 1.960 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])n1 ZINC000602620620 359079300 /nfs/dbraw/zinc/07/93/00/359079300.db2.gz YNAHQTCNGZFUEX-INIZCTEOSA-N 1 1 314.345 1.960 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181904 /nfs/dbraw/zinc/18/19/04/359181904.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181925 /nfs/dbraw/zinc/18/19/25/359181925.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 1 1 309.414 1.904 20 5 DDBDMO CCN1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181928 /nfs/dbraw/zinc/18/19/28/359181928.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 1 1 309.414 1.904 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000602835140 359226275 /nfs/dbraw/zinc/22/62/75/359226275.db2.gz XVKOMGXTCAAMNZ-TZMCWYRMSA-N 1 1 308.382 1.989 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000602837063 359228228 /nfs/dbraw/zinc/22/82/28/359228228.db2.gz SSLCJSSRUCPKKP-MCIONIFRSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1nccn1CCC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799411 359200338 /nfs/dbraw/zinc/20/03/38/359200338.db2.gz SMKYECCFPXLSCG-UHFFFAOYSA-N 1 1 306.370 1.627 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCc3ncnn31)CC2 ZINC000602802390 359202112 /nfs/dbraw/zinc/20/21/12/359202112.db2.gz QRAFTHPQYFBUMD-LLVKDONJSA-N 1 1 300.322 1.127 20 5 DDBDMO COC(=O)[C@@H](C)[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602827707 359220843 /nfs/dbraw/zinc/22/08/43/359220843.db2.gz MZGYJASOCVUMLT-SNVBAGLBSA-N 1 1 310.354 1.516 20 5 DDBDMO COC(=O)[C@@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602827707 359220845 /nfs/dbraw/zinc/22/08/45/359220845.db2.gz MZGYJASOCVUMLT-SNVBAGLBSA-N 1 1 310.354 1.516 20 5 DDBDMO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC000602962493 359325787 /nfs/dbraw/zinc/32/57/87/359325787.db2.gz KIKBKXNBPGGHJM-MRXNPFEDSA-N 1 1 317.345 1.996 20 5 DDBDMO C[C@@](CO)(NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602963015 359325977 /nfs/dbraw/zinc/32/59/77/359325977.db2.gz ROIRTBUMUCAAPI-INIZCTEOSA-N 1 1 307.394 1.878 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@@H]1C(C)(C)C ZINC000603144066 359433508 /nfs/dbraw/zinc/43/35/08/359433508.db2.gz VQENQIOOQQLVDV-GFCCVEGCSA-N 1 1 322.365 1.498 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[C@H]1O ZINC000611285738 360689725 /nfs/dbraw/zinc/68/97/25/360689725.db2.gz KBFKHTJTMBTQGS-SMDDNHRTSA-N 1 1 322.361 1.959 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000611616294 360776892 /nfs/dbraw/zinc/77/68/92/360776892.db2.gz UVILJOULOFNASV-QWHCGFSZSA-N 1 1 308.382 1.498 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619255013 363947033 /nfs/dbraw/zinc/94/70/33/363947033.db2.gz SIMWKWIQUFEUSC-UONOGXRCSA-N 1 1 322.340 1.557 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000619566964 364063830 /nfs/dbraw/zinc/06/38/30/364063830.db2.gz CVSMLBILXDBGDK-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000094780177 193396925 /nfs/dbraw/zinc/39/69/25/193396925.db2.gz QQOGYOJETRKXSB-UHFFFAOYSA-N 1 1 319.358 1.272 20 5 DDBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266389346 205312639 /nfs/dbraw/zinc/31/26/39/205312639.db2.gz BXBVAQDGNSRAFR-AWEZNQCLSA-N 1 1 324.768 1.938 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000284752088 218162933 /nfs/dbraw/zinc/16/29/33/218162933.db2.gz VTBDJKSNMNQMCP-KBPBESRZSA-N 1 1 321.377 1.694 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285326949 218382759 /nfs/dbraw/zinc/38/27/59/218382759.db2.gz RWOZACUMANJVNN-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000340973931 251313465 /nfs/dbraw/zinc/31/34/65/251313465.db2.gz ZCFKCKLXUBRKDI-CYBMUJFWSA-N 1 1 321.377 1.977 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340982356 251318452 /nfs/dbraw/zinc/31/84/52/251318452.db2.gz YTDXEHQHVMOBQV-CMPLNLGQSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000120022697 195082838 /nfs/dbraw/zinc/08/28/38/195082838.db2.gz UDBUKMPVBAHVAX-UHFFFAOYSA-N 1 1 308.338 1.045 20 5 DDBDMO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272995112 210375773 /nfs/dbraw/zinc/37/57/73/210375773.db2.gz QNZKCRPEPIBKFN-LBPRGKRZSA-N 1 1 319.361 1.740 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000266926079 285189249 /nfs/dbraw/zinc/18/92/49/285189249.db2.gz KJMQTILYMGDDQX-INIZCTEOSA-N 1 1 316.361 1.773 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1C ZINC000352783385 285298265 /nfs/dbraw/zinc/29/82/65/285298265.db2.gz XYLTUYKSUSAAAS-MNOVXSKESA-N 1 1 309.341 1.827 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000295908387 533413725 /nfs/dbraw/zinc/41/37/25/533413725.db2.gz HJGRIXHMGOEQPN-CYBMUJFWSA-N 1 1 309.366 1.503 20 5 DDBDMO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCN(C)CC1 ZINC000569115928 304336967 /nfs/dbraw/zinc/33/69/67/304336967.db2.gz ARGXHVUPJIMMDD-CZUORRHYSA-N 1 1 318.421 1.808 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000068805455 406662002 /nfs/dbraw/zinc/66/20/02/406662002.db2.gz YYYRYXHBJOWAGN-CYBMUJFWSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CCN(C)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000068805455 406662006 /nfs/dbraw/zinc/66/20/06/406662006.db2.gz YYYRYXHBJOWAGN-CYBMUJFWSA-N 1 1 312.801 1.584 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046879089 407064451 /nfs/dbraw/zinc/06/44/51/407064451.db2.gz KVLUADCYLKNJKN-LLVKDONJSA-N 1 1 306.366 1.760 20 5 DDBDMO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000122487265 407303082 /nfs/dbraw/zinc/30/30/82/407303082.db2.gz USYKPTQJSFXTNJ-LBPRGKRZSA-N 1 1 324.381 1.191 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000124357647 407356099 /nfs/dbraw/zinc/35/60/99/407356099.db2.gz WBJSXKARKOMFSE-CYBMUJFWSA-N 1 1 323.397 1.276 20 5 DDBDMO Cc1[nH+]cn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC000112981040 407453691 /nfs/dbraw/zinc/45/36/91/407453691.db2.gz PYNBKNZVBXUEIY-UHFFFAOYSA-N 1 1 300.318 1.997 20 5 DDBDMO C[NH+](C)[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000178837261 407621637 /nfs/dbraw/zinc/62/16/37/407621637.db2.gz OKLWPYPYEDSKEJ-CQSZACIVSA-N 1 1 317.349 1.210 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000266907312 407670315 /nfs/dbraw/zinc/67/03/15/407670315.db2.gz BOLNDTIPIMBBNL-ZJUUUORDSA-N 1 1 308.260 1.179 20 5 DDBDMO Cc1cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000178954187 407670908 /nfs/dbraw/zinc/67/09/08/407670908.db2.gz LNYSVLJPBBTDGC-QWRGUYRKSA-N 1 1 313.379 1.274 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000186487644 407680533 /nfs/dbraw/zinc/68/05/33/407680533.db2.gz AEUAVUKWMKYAIH-IINYFYTJSA-N 1 1 317.349 1.739 20 5 DDBDMO CC(C)C[C@H](C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236602772 407731969 /nfs/dbraw/zinc/73/19/69/407731969.db2.gz KTEHFXJAYMTEIC-SECBINFHSA-N 1 1 305.338 1.574 20 5 DDBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187132368 407825486 /nfs/dbraw/zinc/82/54/86/407825486.db2.gz WRSBLYZEZHGEOI-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187132368 407825491 /nfs/dbraw/zinc/82/54/91/407825491.db2.gz WRSBLYZEZHGEOI-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000268177652 407931036 /nfs/dbraw/zinc/93/10/36/407931036.db2.gz KWSHIZRJLPPIEF-IAQYHMDHSA-N 1 1 319.361 1.573 20 5 DDBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000181379481 407988874 /nfs/dbraw/zinc/98/88/74/407988874.db2.gz CMVNGFPTOZSTKN-SNVBAGLBSA-N 1 1 321.362 1.177 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601483 408000024 /nfs/dbraw/zinc/00/00/24/408000024.db2.gz HERRHLAHXCIDNP-JOYOIKCWSA-N 1 1 304.350 1.390 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272601478 408002656 /nfs/dbraw/zinc/00/26/56/408002656.db2.gz HERRHLAHXCIDNP-CABZTGNLSA-N 1 1 304.350 1.390 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000154310364 408013801 /nfs/dbraw/zinc/01/38/01/408013801.db2.gz ZQJWZJJFOGIVNL-ZDUSSCGKSA-N 1 1 323.397 1.418 20 5 DDBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O ZINC000273244429 408123681 /nfs/dbraw/zinc/12/36/81/408123681.db2.gz GERNIQHYFXWIGT-KGLIPLIRSA-N 1 1 323.393 1.485 20 5 DDBDMO COc1ccc([C@H](CO)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176243406 408322028 /nfs/dbraw/zinc/32/20/28/408322028.db2.gz DTEQQFHKMMYYSI-AWEZNQCLSA-N 1 1 320.349 1.465 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662239 408381940 /nfs/dbraw/zinc/38/19/40/408381940.db2.gz QVMSHLBTGJHWHW-GJZGRUSLSA-N 1 1 319.361 1.371 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269662239 408381945 /nfs/dbraw/zinc/38/19/45/408381945.db2.gz QVMSHLBTGJHWHW-GJZGRUSLSA-N 1 1 319.361 1.371 20 5 DDBDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191190289 408383930 /nfs/dbraw/zinc/38/39/30/408383930.db2.gz ARTFGOJESFOSBV-PIGZVRMJSA-N 1 1 324.377 1.568 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000274427200 408401169 /nfs/dbraw/zinc/40/11/69/408401169.db2.gz FIPJTARBIVLSKI-CYBMUJFWSA-N 1 1 323.397 1.479 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000270356235 408499744 /nfs/dbraw/zinc/49/97/44/408499744.db2.gz ASNDKJZZAOKTMQ-LLVKDONJSA-N 1 1 313.379 1.185 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000177128932 408528207 /nfs/dbraw/zinc/52/82/07/408528207.db2.gz KQFOATOKPVTRCR-DGCLKSJQSA-N 1 1 303.362 1.879 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177133893 408529984 /nfs/dbraw/zinc/52/99/84/408529984.db2.gz FNIMYLZJIQDGDJ-VXGBXAGGSA-N 1 1 319.361 1.715 20 5 DDBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000269937113 408474508 /nfs/dbraw/zinc/47/45/08/408474508.db2.gz YQQDXZNBRGGCQF-KGLIPLIRSA-N 1 1 309.366 1.382 20 5 DDBDMO C[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248332137 408548234 /nfs/dbraw/zinc/54/82/34/408548234.db2.gz FFSCZOLLSZKKHY-DZGCQCFKSA-N 1 1 305.334 1.157 20 5 DDBDMO C[C@@]1(O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248332137 408548239 /nfs/dbraw/zinc/54/82/39/408548239.db2.gz FFSCZOLLSZKKHY-DZGCQCFKSA-N 1 1 305.334 1.157 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177205417 408553121 /nfs/dbraw/zinc/55/31/21/408553121.db2.gz YFHHWYWDYAIPOT-QWRGUYRKSA-N 1 1 319.361 1.958 20 5 DDBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275543101 408595850 /nfs/dbraw/zinc/59/58/50/408595850.db2.gz ZFKCGJCLFBREOE-DOMZBBRYSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177154572 408536105 /nfs/dbraw/zinc/53/61/05/408536105.db2.gz XZBJJXOBUOCYFP-ONGXEEELSA-N 1 1 304.350 1.532 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000160922575 408540428 /nfs/dbraw/zinc/54/04/28/408540428.db2.gz DIAVOYFGDXIBKY-LLVKDONJSA-N 1 1 303.322 1.351 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000177434645 408615056 /nfs/dbraw/zinc/61/50/56/408615056.db2.gz JYTVBBBYUOJFKO-OAHLLOKOSA-N 1 1 308.334 1.859 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000248947681 408663606 /nfs/dbraw/zinc/66/36/06/408663606.db2.gz COLOPABOEDCHGX-JJLQDPRZSA-N 1 1 321.377 1.791 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000248947681 408663611 /nfs/dbraw/zinc/66/36/11/408663611.db2.gz COLOPABOEDCHGX-JJLQDPRZSA-N 1 1 321.377 1.791 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)Cn2cccn2)C2CC2)c1 ZINC000177999966 408753864 /nfs/dbraw/zinc/75/38/64/408753864.db2.gz UGDSCMTVAAIFTD-MRXNPFEDSA-N 1 1 316.361 1.817 20 5 DDBDMO CCOCCOCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000276114547 408821364 /nfs/dbraw/zinc/82/13/64/408821364.db2.gz AGGSAFDLHYJZRI-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277432165 408939011 /nfs/dbraw/zinc/93/90/11/408939011.db2.gz DTCZJRYFDUIFPJ-ZDUSSCGKSA-N 1 1 321.381 1.315 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000291892390 408940513 /nfs/dbraw/zinc/94/05/13/408940513.db2.gz MLOZPHIKAUHSPH-GFCCVEGCSA-N 1 1 309.366 1.819 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000277690966 408993699 /nfs/dbraw/zinc/99/36/99/408993699.db2.gz KJIPTQYKDIIJQM-MNOVXSKESA-N 1 1 307.354 1.237 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313538 409189514 /nfs/dbraw/zinc/18/95/14/409189514.db2.gz NKOZJWBPKPHLMS-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293720807 409168505 /nfs/dbraw/zinc/16/85/05/409168505.db2.gz YKXBLGAGFGXRMU-UHFFFAOYSA-N 1 1 305.256 1.921 20 5 DDBDMO COc1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1[N+](=O)[O-] ZINC000289223772 409234482 /nfs/dbraw/zinc/23/44/82/409234482.db2.gz AFIQJRSZTFYEFP-UHFFFAOYSA-N 1 1 316.379 1.516 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000283732333 409205693 /nfs/dbraw/zinc/20/56/93/409205693.db2.gz IAMRPGFBICMZSX-LLVKDONJSA-N 1 1 322.365 1.979 20 5 DDBDMO CO[C@@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280359174 409299256 /nfs/dbraw/zinc/29/92/56/409299256.db2.gz JPMIMRMNTQOBSB-HNNXBMFYSA-N 1 1 309.366 1.648 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285326947 409408124 /nfs/dbraw/zinc/40/81/24/409408124.db2.gz RWOZACUMANJVNN-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO CCc1nn(C)c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000317844502 164028913 /nfs/dbraw/zinc/02/89/13/164028913.db2.gz YAJXIMXGAIDACF-MNOVXSKESA-N 1 1 309.370 1.166 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1NC)C1CC1 ZINC000318884672 164033899 /nfs/dbraw/zinc/03/38/99/164033899.db2.gz NIFFVHGBSOZICD-UHFFFAOYSA-N 1 1 306.366 1.851 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357056812 164138193 /nfs/dbraw/zinc/13/81/93/164138193.db2.gz XZGLJNYDMVITDQ-LLVKDONJSA-N 1 1 309.370 1.275 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425728 409475703 /nfs/dbraw/zinc/47/57/03/409475703.db2.gz UHMSWWOSXKUJCI-JTQLQIEISA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425728 409475709 /nfs/dbraw/zinc/47/57/09/409475709.db2.gz UHMSWWOSXKUJCI-JTQLQIEISA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295425728 409475712 /nfs/dbraw/zinc/47/57/12/409475712.db2.gz UHMSWWOSXKUJCI-JTQLQIEISA-N 1 1 321.381 1.437 20 5 DDBDMO O=C1[C@H]([N@@H+]2CC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432670 409624565 /nfs/dbraw/zinc/62/45/65/409624565.db2.gz PMDHQMOOWZFLDO-BXUZGUMPSA-N 1 1 305.334 1.014 20 5 DDBDMO O=C1[C@H]([N@H+]2CC[C@@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432670 409624572 /nfs/dbraw/zinc/62/45/72/409624572.db2.gz PMDHQMOOWZFLDO-BXUZGUMPSA-N 1 1 305.334 1.014 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345170674 409656967 /nfs/dbraw/zinc/65/69/67/409656967.db2.gz IVKJNMOZGWWJKW-QWRGUYRKSA-N 1 1 306.366 1.613 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881924 409685099 /nfs/dbraw/zinc/68/50/99/409685099.db2.gz PEFAAVVSPYXNIO-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881924 409685105 /nfs/dbraw/zinc/68/51/05/409685105.db2.gz PEFAAVVSPYXNIO-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881924 409685112 /nfs/dbraw/zinc/68/51/12/409685112.db2.gz PEFAAVVSPYXNIO-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881924 409685118 /nfs/dbraw/zinc/68/51/18/409685118.db2.gz PEFAAVVSPYXNIO-NXEZZACHSA-N 1 1 309.370 1.435 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000297126544 409815447 /nfs/dbraw/zinc/81/54/47/409815447.db2.gz PNVVLQHEQXEXKG-UHFFFAOYSA-N 1 1 302.334 1.801 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000354515333 409910606 /nfs/dbraw/zinc/91/06/06/409910606.db2.gz YBFNZIPHZFTLKE-NSHDSACASA-N 1 1 322.365 1.378 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297497196 409921207 /nfs/dbraw/zinc/92/12/07/409921207.db2.gz FYKWZJCAUHOHLZ-LBPRGKRZSA-N 1 1 324.381 1.269 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000324105237 409923542 /nfs/dbraw/zinc/92/35/42/409923542.db2.gz JUGGCXKZCCFSMY-AWEZNQCLSA-N 1 1 319.365 1.554 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000317766395 409871207 /nfs/dbraw/zinc/87/12/07/409871207.db2.gz ATWSPEYRKHBZCD-TZMCWYRMSA-N 1 1 307.350 1.429 20 5 DDBDMO C[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000338370276 409942439 /nfs/dbraw/zinc/94/24/39/409942439.db2.gz ALWKKVDTFJSGNS-GFCCVEGCSA-N 1 1 314.407 1.750 20 5 DDBDMO C[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000338370276 409942444 /nfs/dbraw/zinc/94/24/44/409942444.db2.gz ALWKKVDTFJSGNS-GFCCVEGCSA-N 1 1 314.407 1.750 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000354741680 410052976 /nfs/dbraw/zinc/05/29/76/410052976.db2.gz DAYJDQWWTDZNJD-ZDUSSCGKSA-N 1 1 319.409 1.595 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C1CCN(C)CC1 ZINC000354741680 410052979 /nfs/dbraw/zinc/05/29/79/410052979.db2.gz DAYJDQWWTDZNJD-ZDUSSCGKSA-N 1 1 319.409 1.595 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339389469 410150095 /nfs/dbraw/zinc/15/00/95/410150095.db2.gz CCSAYMMOILPBAN-JKSUJKDBSA-N 1 1 305.378 1.890 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000339395810 410157040 /nfs/dbraw/zinc/15/70/40/410157040.db2.gz LYMRGMPUKVYWSK-CVEARBPZSA-N 1 1 305.378 1.890 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000339396115 410157242 /nfs/dbraw/zinc/15/72/42/410157242.db2.gz TWECKCWIRXRMQP-CHWSQXEVSA-N 1 1 311.407 1.951 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298270585 410162064 /nfs/dbraw/zinc/16/20/64/410162064.db2.gz GPOINSKHXWILSI-GUTXKFCHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000298270585 410162075 /nfs/dbraw/zinc/16/20/75/410162075.db2.gz GPOINSKHXWILSI-GUTXKFCHSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000355028096 410249504 /nfs/dbraw/zinc/24/95/04/410249504.db2.gz QDFQFQDEKPRIHB-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO CC(C)[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000343206877 410234972 /nfs/dbraw/zinc/23/49/72/410234972.db2.gz OOKWTTDBELCMQW-CYBMUJFWSA-N 1 1 306.366 1.470 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358132108 410377196 /nfs/dbraw/zinc/37/71/96/410377196.db2.gz GMFMLLZVKOZNFX-HNNXBMFYSA-N 1 1 309.366 1.150 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790188 410400097 /nfs/dbraw/zinc/40/00/97/410400097.db2.gz JMXYLJIUKWVAQU-MNOVXSKESA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000298790188 410400101 /nfs/dbraw/zinc/40/01/01/410400101.db2.gz JMXYLJIUKWVAQU-MNOVXSKESA-N 1 1 321.333 1.417 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c1 ZINC000351996692 410400888 /nfs/dbraw/zinc/40/08/88/410400888.db2.gz PHPCKWJNSDOLKD-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)c1 ZINC000351996692 410400893 /nfs/dbraw/zinc/40/08/93/410400893.db2.gz PHPCKWJNSDOLKD-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000298950645 410460156 /nfs/dbraw/zinc/46/01/56/410460156.db2.gz SVZCKMGCIGEWFR-UHFFFAOYSA-N 1 1 322.365 1.451 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343583948 410552922 /nfs/dbraw/zinc/55/29/22/410552922.db2.gz ZIULSRCPHGZWRU-LBPRGKRZSA-N 1 1 323.397 1.517 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000301664705 410765918 /nfs/dbraw/zinc/76/59/18/410765918.db2.gz WAVNFUIILLUCDN-LBPRGKRZSA-N 1 1 321.381 1.298 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565225 410779990 /nfs/dbraw/zinc/77/99/90/410779990.db2.gz ACZKFZRTZIDVSU-STQMWFEESA-N 1 1 320.393 1.582 20 5 DDBDMO Cc1ccc(NC[C@@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000301740610 410784238 /nfs/dbraw/zinc/78/42/38/410784238.db2.gz DPAQYPQHWKLSME-OAHLLOKOSA-N 1 1 309.366 1.398 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330628564 410837745 /nfs/dbraw/zinc/83/77/45/410837745.db2.gz LSAIBLVRRMKWLC-STQMWFEESA-N 1 1 305.378 1.997 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000302709282 410850041 /nfs/dbraw/zinc/85/00/41/410850041.db2.gz DDRCDJFGXZZMDV-NEPJUHHUSA-N 1 1 316.365 1.558 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341187157 410925173 /nfs/dbraw/zinc/92/51/73/410925173.db2.gz CGVZSRHUSOHKHF-GXTWGEPZSA-N 1 1 320.393 1.919 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353369161 410944515 /nfs/dbraw/zinc/94/45/15/410944515.db2.gz KCBNOMCVBKELDE-NSHDSACASA-N 1 1 307.354 1.312 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353492837 411026716 /nfs/dbraw/zinc/02/67/16/411026716.db2.gz VQUXRHNFVKLHLT-UHFFFAOYSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356654417 411117560 /nfs/dbraw/zinc/11/75/60/411117560.db2.gz LNOGJJCWYFLLEN-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356654417 411117563 /nfs/dbraw/zinc/11/75/63/411117563.db2.gz LNOGJJCWYFLLEN-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295588611 225021168 /nfs/dbraw/zinc/02/11/68/225021168.db2.gz WGGFSCYTSDHNAM-AWEZNQCLSA-N 1 1 321.377 1.100 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295733390 225174668 /nfs/dbraw/zinc/17/46/68/225174668.db2.gz WSFPQMXFZQTTKN-UHFFFAOYSA-N 1 1 320.397 1.767 20 5 DDBDMO CN(CCCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC[NH+](C)C ZINC000295733390 225174674 /nfs/dbraw/zinc/17/46/74/225174674.db2.gz WSFPQMXFZQTTKN-UHFFFAOYSA-N 1 1 320.397 1.767 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000366611528 418496901 /nfs/dbraw/zinc/49/69/01/418496901.db2.gz WDEQTUGRUXIIKM-UHFFFAOYSA-N 1 1 315.333 1.534 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nnc(N)cc2C1 ZINC000366611528 418496903 /nfs/dbraw/zinc/49/69/03/418496903.db2.gz WDEQTUGRUXIIKM-UHFFFAOYSA-N 1 1 315.333 1.534 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190378207 222076841 /nfs/dbraw/zinc/07/68/41/222076841.db2.gz HFPRSXBPTVQTSU-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000375007214 418587074 /nfs/dbraw/zinc/58/70/74/418587074.db2.gz ZONKNGOWOMVPJM-AWEZNQCLSA-N 1 1 315.377 1.817 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000375007214 418587077 /nfs/dbraw/zinc/58/70/77/418587077.db2.gz ZONKNGOWOMVPJM-AWEZNQCLSA-N 1 1 315.377 1.817 20 5 DDBDMO CNc1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361172487 418597515 /nfs/dbraw/zinc/59/75/15/418597515.db2.gz TVIAVRHVJCOFNO-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361199467 418605053 /nfs/dbraw/zinc/60/50/53/418605053.db2.gz DUQVIHZZTVSCAF-TUAOUCFPSA-N 1 1 305.334 1.744 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583629 418685577 /nfs/dbraw/zinc/68/55/77/418685577.db2.gz LPGOJQURIIQLMF-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000387549061 418743328 /nfs/dbraw/zinc/74/33/28/418743328.db2.gz AZBCDJHDDZYUCH-LLVKDONJSA-N 1 1 306.366 1.637 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362055742 418745671 /nfs/dbraw/zinc/74/56/71/418745671.db2.gz NHJIIEZLYDTUFR-KGYLQXTDSA-N 1 1 321.377 1.790 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000411413828 418901438 /nfs/dbraw/zinc/90/14/38/418901438.db2.gz AONLDTWRLPHYJY-ZYHUDNBSSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365249230 418845554 /nfs/dbraw/zinc/84/55/54/418845554.db2.gz PZTQGNJCHGFBFZ-RYUDHWBXSA-N 1 1 319.361 1.960 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373239740 418933190 /nfs/dbraw/zinc/93/31/90/418933190.db2.gz BAAKPOKEWARYLZ-HNNXBMFYSA-N 1 1 305.334 1.041 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000411947659 419515692 /nfs/dbraw/zinc/51/56/92/419515692.db2.gz UFBRCDAFXYVBLN-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079777 419635147 /nfs/dbraw/zinc/63/51/47/419635147.db2.gz NATDXKPYNVKAED-NFAWXSAZSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H](NC(=O)NCC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418231249 419630920 /nfs/dbraw/zinc/63/09/20/419630920.db2.gz KTKCDQHWTLUKMY-QMMMGPOBSA-N 1 1 302.281 1.549 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429166112 419981297 /nfs/dbraw/zinc/98/12/97/419981297.db2.gz HTAWUMVGIBAGHM-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429166112 419981303 /nfs/dbraw/zinc/98/13/03/419981303.db2.gz HTAWUMVGIBAGHM-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO [NH3+]CC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430624753 420162820 /nfs/dbraw/zinc/16/28/20/420162820.db2.gz PKHPYPSHIMXOSE-HNNXBMFYSA-N 1 1 318.377 1.371 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423964890 420285972 /nfs/dbraw/zinc/28/59/72/420285972.db2.gz HHSXPPZZRVYPBP-OAHLLOKOSA-N 1 1 312.329 1.777 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000420786159 420389677 /nfs/dbraw/zinc/38/96/77/420389677.db2.gz VDEQVSSSRLUHBI-AWEZNQCLSA-N 1 1 306.366 1.830 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425498856 420399824 /nfs/dbraw/zinc/39/98/24/420399824.db2.gz HMCLGOCVRQBANO-AWEZNQCLSA-N 1 1 317.349 1.902 20 5 DDBDMO COc1cccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000444364088 230088956 /nfs/dbraw/zinc/08/89/56/230088956.db2.gz PGUSAPMAFGGNKQ-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000444697970 230124271 /nfs/dbraw/zinc/12/42/71/230124271.db2.gz RIFCAGAKKRDMMC-MWLCHTKSSA-N 1 1 322.287 1.427 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446061667 230224076 /nfs/dbraw/zinc/22/40/76/230224076.db2.gz RCNGODKAIKJIBX-RFGFWPKPSA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446061667 230224081 /nfs/dbraw/zinc/22/40/81/230224081.db2.gz RCNGODKAIKJIBX-RFGFWPKPSA-N 1 1 324.377 1.832 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000451345392 420597128 /nfs/dbraw/zinc/59/71/28/420597128.db2.gz QROGHMBOQHWSSC-MCIONIFRSA-N 1 1 308.382 1.807 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452068837 420619995 /nfs/dbraw/zinc/61/99/95/420619995.db2.gz PEASLJKCXMQBOJ-GXFFZTMASA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452068837 420619998 /nfs/dbraw/zinc/61/99/98/420619998.db2.gz PEASLJKCXMQBOJ-GXFFZTMASA-N 1 1 307.350 1.544 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000455744139 421058009 /nfs/dbraw/zinc/05/80/09/421058009.db2.gz YDXNJKRNOJPETN-ZDUSSCGKSA-N 1 1 321.381 1.444 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000455744139 421058013 /nfs/dbraw/zinc/05/80/13/421058013.db2.gz YDXNJKRNOJPETN-ZDUSSCGKSA-N 1 1 321.381 1.444 20 5 DDBDMO CNc1nc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455769009 421059504 /nfs/dbraw/zinc/05/95/04/421059504.db2.gz YJEWQDICMWXPSA-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455363205 421003458 /nfs/dbraw/zinc/00/34/58/421003458.db2.gz WXSMNQILTLCFPQ-SNVBAGLBSA-N 1 1 309.370 1.492 20 5 DDBDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449444194 421012875 /nfs/dbraw/zinc/01/28/75/421012875.db2.gz ZAUGVUPDMVDZGK-JTQLQIEISA-N 1 1 319.358 1.151 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449471445 421017546 /nfs/dbraw/zinc/01/75/46/421017546.db2.gz OWUPOQMRCMJFMF-CYBMUJFWSA-N 1 1 302.277 1.805 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1[N+](=O)[O-] ZINC000449471445 421017550 /nfs/dbraw/zinc/01/75/50/421017550.db2.gz OWUPOQMRCMJFMF-CYBMUJFWSA-N 1 1 302.277 1.805 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456042403 421091906 /nfs/dbraw/zinc/09/19/06/421091906.db2.gz YJENGSULZCJCIO-AOOOYVTPSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456042403 421091909 /nfs/dbraw/zinc/09/19/09/421091909.db2.gz YJENGSULZCJCIO-AOOOYVTPSA-N 1 1 307.354 1.196 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000456371965 421152700 /nfs/dbraw/zinc/15/27/00/421152700.db2.gz GYQSSCGUSBTQHN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000456371965 421152705 /nfs/dbraw/zinc/15/27/05/421152705.db2.gz GYQSSCGUSBTQHN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456371965 421152709 /nfs/dbraw/zinc/15/27/09/421152709.db2.gz GYQSSCGUSBTQHN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456371965 421152712 /nfs/dbraw/zinc/15/27/12/421152712.db2.gz GYQSSCGUSBTQHN-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450311681 421180327 /nfs/dbraw/zinc/18/03/27/421180327.db2.gz IXYXKWABQIHZCK-NSHDSACASA-N 1 1 309.370 1.240 20 5 DDBDMO CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450311681 421180330 /nfs/dbraw/zinc/18/03/30/421180330.db2.gz IXYXKWABQIHZCK-NSHDSACASA-N 1 1 309.370 1.240 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000450601234 421216585 /nfs/dbraw/zinc/21/65/85/421216585.db2.gz YCBRQJDFWANUKT-NSHDSACASA-N 1 1 311.386 1.149 20 5 DDBDMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])c(C)n1)CCC(F)(F)F ZINC000450487082 421202536 /nfs/dbraw/zinc/20/25/36/421202536.db2.gz MNZQSBQNAZLYOO-UHFFFAOYSA-N 1 1 321.303 2.379 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CO ZINC000546809801 421311386 /nfs/dbraw/zinc/31/13/86/421311386.db2.gz DUQYXVVSLHGNNJ-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(C)CO ZINC000546809801 421311389 /nfs/dbraw/zinc/31/13/89/421311389.db2.gz DUQYXVVSLHGNNJ-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104469 421284369 /nfs/dbraw/zinc/28/43/69/421284369.db2.gz KHFGXGRUUMSMHX-DZGCQCFKSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000560615616 421284523 /nfs/dbraw/zinc/28/45/23/421284523.db2.gz NXVNJBUIVGWGDY-AWEZNQCLSA-N 1 1 321.377 1.987 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547756410 421363847 /nfs/dbraw/zinc/36/38/47/421363847.db2.gz NXUNFNWRTOLOIB-SNVBAGLBSA-N 1 1 309.370 1.558 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000566453213 421605107 /nfs/dbraw/zinc/60/51/07/421605107.db2.gz VCABHULQHQWGSK-LLVKDONJSA-N 1 1 323.397 1.882 20 5 DDBDMO CC(C)COCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558607712 421814814 /nfs/dbraw/zinc/81/48/14/421814814.db2.gz SXGCKNXBNUQPBU-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000584089902 422254122 /nfs/dbraw/zinc/25/41/22/422254122.db2.gz VIGMWIAEKHPEGA-LLVKDONJSA-N 1 1 309.370 1.271 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2ccc(O)cc2C1 ZINC000341674950 271164909 /nfs/dbraw/zinc/16/49/09/271164909.db2.gz PPKDHKUSCWHBNY-UHFFFAOYSA-N 1 1 315.329 1.520 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000341674950 271164913 /nfs/dbraw/zinc/16/49/13/271164913.db2.gz PPKDHKUSCWHBNY-UHFFFAOYSA-N 1 1 315.329 1.520 20 5 DDBDMO CC(C)OCC[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288550646 273540745 /nfs/dbraw/zinc/54/07/45/273540745.db2.gz VNJWHODMKJNFQN-UHFFFAOYSA-N 1 1 308.382 1.724 20 5 DDBDMO CO[C@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000451864616 274084540 /nfs/dbraw/zinc/08/45/40/274084540.db2.gz ZXEVRKUAACTEAM-KBPBESRZSA-N 1 1 321.377 1.646 20 5 DDBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000133123390 276300492 /nfs/dbraw/zinc/30/04/92/276300492.db2.gz LUQPDJMLIPUTLU-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331426533 277076128 /nfs/dbraw/zinc/07/61/28/277076128.db2.gz XZWAFRJLCNNKKW-YPMHNXCESA-N 1 1 319.365 1.097 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338350925 278262837 /nfs/dbraw/zinc/26/28/37/278262837.db2.gz QOEIPPCGBKQGSS-AWEZNQCLSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193355602 288319729 /nfs/dbraw/zinc/31/97/29/288319729.db2.gz WVCUYSLZFNSUOU-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000248837348 295286985 /nfs/dbraw/zinc/28/69/85/295286985.db2.gz OQQUABFCAZSULY-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NCc1ccccc1 ZINC000357927970 299022486 /nfs/dbraw/zinc/02/24/86/299022486.db2.gz JNYDNQRPWXXTML-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NCc1ccccc1 ZINC000357927970 299022488 /nfs/dbraw/zinc/02/24/88/299022488.db2.gz JNYDNQRPWXXTML-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362287193 300044617 /nfs/dbraw/zinc/04/46/17/300044617.db2.gz OKAYVEIMXGJVHB-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363050832 300203905 /nfs/dbraw/zinc/20/39/05/300203905.db2.gz NMAYFIITZFOZCJ-JYJNAYRXSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363050832 300203906 /nfs/dbraw/zinc/20/39/06/300203906.db2.gz NMAYFIITZFOZCJ-JYJNAYRXSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363050832 300203908 /nfs/dbraw/zinc/20/39/08/300203908.db2.gz NMAYFIITZFOZCJ-JYJNAYRXSA-N 1 1 317.389 1.632 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904169 300323630 /nfs/dbraw/zinc/32/36/30/300323630.db2.gz LBUQBWLFSCICAU-GWCFXTLKSA-N 1 1 319.365 1.128 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364262037 300364363 /nfs/dbraw/zinc/36/43/63/300364363.db2.gz ABKZKETVDUKCGJ-ZDUSSCGKSA-N 1 1 323.393 1.634 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000364457665 300399930 /nfs/dbraw/zinc/39/99/30/300399930.db2.gz ORULYDCSLJEWTM-KBPBESRZSA-N 1 1 307.350 1.368 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]C[C@H]1C(F)F ZINC000368009101 300932437 /nfs/dbraw/zinc/93/24/37/300932437.db2.gz WDSTZLRHOUCQPD-JTQLQIEISA-N 1 1 303.240 1.413 20 5 DDBDMO Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976269 301115321 /nfs/dbraw/zinc/11/53/21/301115321.db2.gz VGECAVZOBQBKCJ-KCQAQPDRSA-N 1 1 303.362 1.989 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369311309 301162453 /nfs/dbraw/zinc/16/24/53/301162453.db2.gz FVLQDMTUFRHAHJ-GFCCVEGCSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369311309 301162454 /nfs/dbraw/zinc/16/24/54/301162454.db2.gz FVLQDMTUFRHAHJ-GFCCVEGCSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369546956 301196508 /nfs/dbraw/zinc/19/65/08/301196508.db2.gz RCXPJEHGLQOKPW-TZMCWYRMSA-N 1 1 310.354 1.061 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000369709208 301215084 /nfs/dbraw/zinc/21/50/84/301215084.db2.gz CHJBGEOSVBZVHU-QLFBSQMISA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000369709208 301215085 /nfs/dbraw/zinc/21/50/85/301215085.db2.gz CHJBGEOSVBZVHU-QLFBSQMISA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000369709208 301215087 /nfs/dbraw/zinc/21/50/87/301215087.db2.gz CHJBGEOSVBZVHU-QLFBSQMISA-N 1 1 303.362 1.385 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000370445623 301340652 /nfs/dbraw/zinc/34/06/52/301340652.db2.gz WHMUTWSFPFXMPS-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000376223750 302052030 /nfs/dbraw/zinc/05/20/30/302052030.db2.gz CEEJUERDDHHJCC-AWEZNQCLSA-N 1 1 324.381 1.045 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377604868 302197154 /nfs/dbraw/zinc/19/71/54/302197154.db2.gz JTLIBOBPEWBVQI-GHMZBOCLSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377604868 302197157 /nfs/dbraw/zinc/19/71/57/302197157.db2.gz JTLIBOBPEWBVQI-GHMZBOCLSA-N 1 1 320.349 1.119 20 5 DDBDMO CC1CCC([NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000363673365 307033009 /nfs/dbraw/zinc/03/30/09/307033009.db2.gz CBDKHKHILKBMRE-AXVKAWJUSA-N 1 1 309.410 1.811 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366633684 307078144 /nfs/dbraw/zinc/07/81/44/307078144.db2.gz CKYCFGSEKRTCIW-GXTWGEPZSA-N 1 1 319.409 1.777 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371834243 307158589 /nfs/dbraw/zinc/15/85/89/307158589.db2.gz IFIRIDZIFBDQML-DZGCQCFKSA-N 1 1 305.378 1.981 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371834243 307158590 /nfs/dbraw/zinc/15/85/90/307158590.db2.gz IFIRIDZIFBDQML-DZGCQCFKSA-N 1 1 305.378 1.981 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC000427252857 307302858 /nfs/dbraw/zinc/30/28/58/307302858.db2.gz ZBACYSYQQBXXMY-VXGBXAGGSA-N 1 1 323.397 1.804 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000570000419 308156194 /nfs/dbraw/zinc/15/61/94/308156194.db2.gz NSOLFDQBVDOSHG-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000570000419 308156195 /nfs/dbraw/zinc/15/61/95/308156195.db2.gz NSOLFDQBVDOSHG-JTQLQIEISA-N 1 1 317.349 1.637 20 5 DDBDMO C[C@H](CCN(C)C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460773 308316140 /nfs/dbraw/zinc/31/61/40/308316140.db2.gz XDXVCNRKCMJCMO-TZMCWYRMSA-N 1 1 311.382 1.264 20 5 DDBDMO C[C@H](CC[NH+](C)C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576460773 308316141 /nfs/dbraw/zinc/31/61/41/308316141.db2.gz XDXVCNRKCMJCMO-TZMCWYRMSA-N 1 1 311.382 1.264 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000576686348 308331954 /nfs/dbraw/zinc/33/19/54/308331954.db2.gz KZOPGTSBJZXLKC-MWLCHTKSSA-N 1 1 307.354 1.024 20 5 DDBDMO O=c1[nH]cnc2cc(NCC[N@@H+]3CC=CCC3)c([N+](=O)[O-])cc21 ZINC000392830332 337066334 /nfs/dbraw/zinc/06/63/34/337066334.db2.gz OMRJVNHONIWFEQ-UHFFFAOYSA-N 1 1 315.333 1.917 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000158062630 523708469 /nfs/dbraw/zinc/70/84/69/523708469.db2.gz KUBLSILTVRREKE-MCIONIFRSA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000158062630 523708478 /nfs/dbraw/zinc/70/84/78/523708478.db2.gz KUBLSILTVRREKE-MCIONIFRSA-N 1 1 310.354 1.060 20 5 DDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000154777453 525730891 /nfs/dbraw/zinc/73/08/91/525730891.db2.gz SFYBMKYSJITJPQ-KCJUWKMLSA-N 1 1 300.746 1.774 20 5 DDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000154777453 525730901 /nfs/dbraw/zinc/73/09/01/525730901.db2.gz SFYBMKYSJITJPQ-KCJUWKMLSA-N 1 1 300.746 1.774 20 5 DDBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000413960169 527082532 /nfs/dbraw/zinc/08/25/32/527082532.db2.gz PLPADMFCEKEVAC-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000452343613 528313574 /nfs/dbraw/zinc/31/35/74/528313574.db2.gz LQUMMNZROANWMP-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO CC(C)[C@H]([NH3+])CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803802 529071130 /nfs/dbraw/zinc/07/11/30/529071130.db2.gz WVXWYEILVWPLLG-BXUZGUMPSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@H](N)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803802 529071134 /nfs/dbraw/zinc/07/11/34/529071134.db2.gz WVXWYEILVWPLLG-BXUZGUMPSA-N 1 1 308.382 1.885 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000748348825 700112081 /nfs/dbraw/zinc/11/20/81/700112081.db2.gz LDKMWCOOFJHLGA-LBPRGKRZSA-N 1 1 316.361 1.712 20 5 DDBDMO C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+]1C ZINC000748348825 700112082 /nfs/dbraw/zinc/11/20/82/700112082.db2.gz LDKMWCOOFJHLGA-LBPRGKRZSA-N 1 1 316.361 1.712 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000157987871 696984961 /nfs/dbraw/zinc/98/49/61/696984961.db2.gz OVAIUKVHOSXOKK-DOMZBBRYSA-N 1 1 305.382 1.698 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000776585043 698122167 /nfs/dbraw/zinc/12/21/67/698122167.db2.gz RQPJJGMQMHEHPO-CABCVRRESA-N 1 1 310.350 1.102 20 5 DDBDMO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777717443 698217444 /nfs/dbraw/zinc/21/74/44/698217444.db2.gz XWXTTZJDLJPJMF-UHFFFAOYSA-N 1 1 314.773 1.951 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000777717443 698217446 /nfs/dbraw/zinc/21/74/46/698217446.db2.gz XWXTTZJDLJPJMF-UHFFFAOYSA-N 1 1 314.773 1.951 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000794927327 699836372 /nfs/dbraw/zinc/83/63/72/699836372.db2.gz FLOBUBRMYNCKKV-FZMZJTMJSA-N 1 1 306.322 1.639 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796556228 699938803 /nfs/dbraw/zinc/93/88/03/699938803.db2.gz ODHIYUYCDFVFIL-WQVCFCJDSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796556228 699938804 /nfs/dbraw/zinc/93/88/04/699938804.db2.gz ODHIYUYCDFVFIL-WQVCFCJDSA-N 1 1 322.361 1.508 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000802138250 700371319 /nfs/dbraw/zinc/37/13/19/700371319.db2.gz CRZVQUCRFXPMLO-LLVKDONJSA-N 1 1 311.338 1.199 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCCn1cc[nH+]c1C ZINC000755654796 700576018 /nfs/dbraw/zinc/57/60/18/700576018.db2.gz GALQQXRERDEKFH-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000763268527 700932553 /nfs/dbraw/zinc/93/25/53/700932553.db2.gz SXNFQVWGTYCFOX-LBPRGKRZSA-N 1 1 323.349 1.443 20 5 DDBDMO CCOC(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OCC ZINC000767763983 701134166 /nfs/dbraw/zinc/13/41/66/701134166.db2.gz SORAREZAUCQMLV-UHFFFAOYSA-N 1 1 324.381 1.511 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000769636149 701250942 /nfs/dbraw/zinc/25/09/42/701250942.db2.gz WYLPKMRAJDQSJQ-SEYXRHQNSA-N 1 1 321.377 1.429 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000771902778 701336113 /nfs/dbraw/zinc/33/61/13/701336113.db2.gz DFNVAPCTJMNFIH-UHFFFAOYSA-N 1 1 305.290 1.722 20 5 DDBDMO COc1ccc(CC(=O)OCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000771954788 701338292 /nfs/dbraw/zinc/33/82/92/701338292.db2.gz TZHHLDTVRUKNMR-UHFFFAOYSA-N 1 1 319.317 1.894 20 5 DDBDMO Cn1cncc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000810159079 701737641 /nfs/dbraw/zinc/73/76/41/701737641.db2.gz CEGFAGGYSHEYDZ-UHFFFAOYSA-N 1 1 304.306 1.389 20 5 DDBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839636232 701762219 /nfs/dbraw/zinc/76/22/19/701762219.db2.gz PEMDUCYTWWANKD-LLVKDONJSA-N 1 1 322.321 1.413 20 5 DDBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839682854 701782712 /nfs/dbraw/zinc/78/27/12/701782712.db2.gz ANUWQWHOPWDAFT-BYNSBNAKSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839682854 701782721 /nfs/dbraw/zinc/78/27/21/701782721.db2.gz ANUWQWHOPWDAFT-BYNSBNAKSA-N 1 1 309.410 1.765 20 5 DDBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839682854 701782725 /nfs/dbraw/zinc/78/27/25/701782725.db2.gz ANUWQWHOPWDAFT-BYNSBNAKSA-N 1 1 309.410 1.765 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839696697 701787790 /nfs/dbraw/zinc/78/77/90/701787790.db2.gz NMAYFIITZFOZCJ-BZUAXINKSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696697 701787794 /nfs/dbraw/zinc/78/77/94/701787794.db2.gz NMAYFIITZFOZCJ-BZUAXINKSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696697 701787798 /nfs/dbraw/zinc/78/77/98/701787798.db2.gz NMAYFIITZFOZCJ-BZUAXINKSA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000867985315 701874437 /nfs/dbraw/zinc/87/44/37/701874437.db2.gz AFOVKEQDEZTNIQ-WQGACYEGSA-N 1 1 321.377 1.795 20 5 DDBDMO Cc1ccnc(N2CCC(N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212121 706650521 /nfs/dbraw/zinc/65/05/21/706650521.db2.gz IJSUNLVEQXQIEA-UHFFFAOYSA-N 1 1 319.409 1.514 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879364776 706662546 /nfs/dbraw/zinc/66/25/46/706662546.db2.gz PHWHTIKULZQXNL-GXTWGEPZSA-N 1 1 310.350 1.169 20 5 DDBDMO COCCCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000841690611 702540061 /nfs/dbraw/zinc/54/00/61/702540061.db2.gz HBCQVKOEOOHYJP-UHFFFAOYSA-N 1 1 309.322 1.819 20 5 DDBDMO COCCCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000841690611 702540064 /nfs/dbraw/zinc/54/00/64/702540064.db2.gz HBCQVKOEOOHYJP-UHFFFAOYSA-N 1 1 309.322 1.819 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844435304 703031265 /nfs/dbraw/zinc/03/12/65/703031265.db2.gz BWQDBZZCPDJUCQ-NWDGAFQWSA-N 1 1 316.308 1.273 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879572792 706722914 /nfs/dbraw/zinc/72/29/14/706722914.db2.gz RIDSMFZWWURFQI-XJKSGUPXSA-N 1 1 305.378 2.000 20 5 DDBDMO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979990 704042083 /nfs/dbraw/zinc/04/20/83/704042083.db2.gz FNOSITSFMQDNHV-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNC[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979990 704042085 /nfs/dbraw/zinc/04/20/85/704042085.db2.gz FNOSITSFMQDNHV-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436485 704047984 /nfs/dbraw/zinc/04/79/84/704047984.db2.gz INPYGQXUUOINRZ-KBPBESRZSA-N 1 1 321.333 1.155 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852438601 704048966 /nfs/dbraw/zinc/04/89/66/704048966.db2.gz UKRGFROVVWLUJF-ZDUSSCGKSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852438601 704048969 /nfs/dbraw/zinc/04/89/69/704048969.db2.gz UKRGFROVVWLUJF-ZDUSSCGKSA-N 1 1 321.333 1.630 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000852500944 704064071 /nfs/dbraw/zinc/06/40/71/704064071.db2.gz UMCWJZTUEHMVBC-MSRIBSCDSA-N 1 1 309.322 1.952 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000852500944 704064073 /nfs/dbraw/zinc/06/40/73/704064073.db2.gz UMCWJZTUEHMVBC-MSRIBSCDSA-N 1 1 309.322 1.952 20 5 DDBDMO Cc1nn(C[N@@H+](C)CC2=CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000853562166 704270929 /nfs/dbraw/zinc/27/09/29/704270929.db2.gz FLGLCHVMKBMFRI-UHFFFAOYSA-N 1 1 317.349 1.884 20 5 DDBDMO Cc1nn(C[N@H+](C)CC2=CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000853562166 704270930 /nfs/dbraw/zinc/27/09/30/704270930.db2.gz FLGLCHVMKBMFRI-UHFFFAOYSA-N 1 1 317.349 1.884 20 5 DDBDMO COc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853666483 704296150 /nfs/dbraw/zinc/29/61/50/704296150.db2.gz NCRQVYFMMQZOFD-BETUJISGSA-N 1 1 323.393 1.803 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000821091295 704371190 /nfs/dbraw/zinc/37/11/90/704371190.db2.gz AQQQGTGLIQSUEJ-JSGCOSHPSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000821091295 704371193 /nfs/dbraw/zinc/37/11/93/704371193.db2.gz AQQQGTGLIQSUEJ-JSGCOSHPSA-N 1 1 321.377 1.661 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821323454 704390868 /nfs/dbraw/zinc/39/08/68/704390868.db2.gz YHXYZVMNILFFTL-OKILXGFUSA-N 1 1 319.361 1.384 20 5 DDBDMO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858435833 704710861 /nfs/dbraw/zinc/71/08/61/704710861.db2.gz UXTFIGKDAYFTIT-JOYOIKCWSA-N 1 1 305.338 1.295 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]12 ZINC000860159090 705117272 /nfs/dbraw/zinc/11/72/72/705117272.db2.gz XHUWRJWBKHWSLP-DGCLKSJQSA-N 1 1 320.301 1.066 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]12 ZINC000860159090 705117277 /nfs/dbraw/zinc/11/72/77/705117277.db2.gz XHUWRJWBKHWSLP-DGCLKSJQSA-N 1 1 320.301 1.066 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823152737 705154022 /nfs/dbraw/zinc/15/40/22/705154022.db2.gz XDLHWFIIRJJQQB-GFCCVEGCSA-N 1 1 301.387 1.049 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845931 705200494 /nfs/dbraw/zinc/20/04/94/705200494.db2.gz YUROPSXLQFQSHA-HUUCEWRRSA-N 1 1 319.361 1.669 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000823987724 705350319 /nfs/dbraw/zinc/35/03/19/705350319.db2.gz QREMFNOKEWKNCH-MWLCHTKSSA-N 1 1 307.354 1.781 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000824369055 705437641 /nfs/dbraw/zinc/43/76/41/705437641.db2.gz VANYXIZMURAWIG-STQMWFEESA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658085 705500852 /nfs/dbraw/zinc/50/08/52/705500852.db2.gz IHRIOANFWJBDNE-LBPRGKRZSA-N 1 1 323.397 1.336 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505810 705683711 /nfs/dbraw/zinc/68/37/11/705683711.db2.gz WJPDOLFFQPLBBE-IUODEOHRSA-N 1 1 321.377 1.476 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000826867946 705887631 /nfs/dbraw/zinc/88/76/31/705887631.db2.gz NOKKPJLUBYUDKS-LLVKDONJSA-N 1 1 307.325 1.948 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827265996 705963499 /nfs/dbraw/zinc/96/34/99/705963499.db2.gz JKJMPYWRRUFQBX-AAEUAGOBSA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827358353 705985129 /nfs/dbraw/zinc/98/51/29/705985129.db2.gz XRYPVLAMQDANTA-FZMZJTMJSA-N 1 1 304.350 1.464 20 5 DDBDMO C[C@@H]1[C@H](O)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000832226048 706875462 /nfs/dbraw/zinc/87/54/62/706875462.db2.gz SPKJLPROBRZLST-NOZJJQNGSA-N 1 1 311.313 1.518 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000880433020 706974201 /nfs/dbraw/zinc/97/42/01/706974201.db2.gz SSEABQYWVCCHAV-QLFBSQMISA-N 1 1 310.350 1.364 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880444473 706978629 /nfs/dbraw/zinc/97/86/29/706978629.db2.gz TVZZITQGGWNCGF-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880529354 707006016 /nfs/dbraw/zinc/00/60/16/707006016.db2.gz ALMXZUWXDKTOLB-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880529354 707006017 /nfs/dbraw/zinc/00/60/17/707006017.db2.gz ALMXZUWXDKTOLB-SWLSCSKDSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@@H](NCC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029211 707282208 /nfs/dbraw/zinc/28/22/08/707282208.db2.gz PBKITWNCUBXMOJ-LLVKDONJSA-N 1 1 324.356 1.159 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000872271348 707358482 /nfs/dbraw/zinc/35/84/82/707358482.db2.gz NSPFZMJJCOXLJG-STQMWFEESA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000872271348 707358488 /nfs/dbraw/zinc/35/84/88/707358488.db2.gz NSPFZMJJCOXLJG-STQMWFEESA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872271629 707359040 /nfs/dbraw/zinc/35/90/40/707359040.db2.gz TUFFVRFWRTWCJL-OLZOCXBDSA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872271629 707359051 /nfs/dbraw/zinc/35/90/51/707359051.db2.gz TUFFVRFWRTWCJL-OLZOCXBDSA-N 1 1 316.304 1.984 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000836944583 707552302 /nfs/dbraw/zinc/55/23/02/707552302.db2.gz BAIFWSWFUAMCEW-UKRRQHHQSA-N 1 1 321.377 1.571 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000872725087 707573461 /nfs/dbraw/zinc/57/34/61/707573461.db2.gz ORLJVDWTQBFOKT-DOMZBBRYSA-N 1 1 315.377 1.928 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000882449715 707638492 /nfs/dbraw/zinc/63/84/92/707638492.db2.gz YHTOKCBFACBWBR-UHFFFAOYSA-N 1 1 324.356 1.820 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000884824927 708388516 /nfs/dbraw/zinc/38/85/16/708388516.db2.gz WEBSMVQTJHFXIF-UHFFFAOYSA-N 1 1 305.281 1.532 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000887938815 709172770 /nfs/dbraw/zinc/17/27/70/709172770.db2.gz ANSMOYCGLFFRMB-BLLLJJGKSA-N 1 1 318.377 1.660 20 5 DDBDMO CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888977762 709419289 /nfs/dbraw/zinc/41/92/89/709419289.db2.gz NELINWYMDWMHCD-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888977762 709419292 /nfs/dbraw/zinc/41/92/92/709419292.db2.gz NELINWYMDWMHCD-UHFFFAOYSA-N 1 1 324.356 1.053 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000892144410 710379919 /nfs/dbraw/zinc/37/99/19/710379919.db2.gz OAHJCJKAVALSSE-JQWIXIFHSA-N 1 1 308.338 1.274 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@@]2(C)C1 ZINC000913281651 713190717 /nfs/dbraw/zinc/19/07/17/713190717.db2.gz BKXWVECRULBESX-IYBDPMFKSA-N 1 1 318.377 1.591 20 5 DDBDMO C[C@@H]1C[N@H+](CCCOC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000893392357 710634136 /nfs/dbraw/zinc/63/41/36/710634136.db2.gz QUHPPNAJERUCQH-GFCCVEGCSA-N 1 1 308.334 1.862 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOC(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000893392357 710634139 /nfs/dbraw/zinc/63/41/39/710634139.db2.gz QUHPPNAJERUCQH-GFCCVEGCSA-N 1 1 308.334 1.862 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000928573536 713234620 /nfs/dbraw/zinc/23/46/20/713234620.db2.gz QSXPSLVVJKOUQT-CYBMUJFWSA-N 1 1 318.377 1.629 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000928573536 713234621 /nfs/dbraw/zinc/23/46/21/713234621.db2.gz QSXPSLVVJKOUQT-CYBMUJFWSA-N 1 1 318.377 1.629 20 5 DDBDMO [NH3+]CC1([C@H]2CCCCN2CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000903813816 711289393 /nfs/dbraw/zinc/28/93/93/711289393.db2.gz ISANSSAZXPNXSK-CYBMUJFWSA-N 1 1 307.398 1.775 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000913687342 713281416 /nfs/dbraw/zinc/28/14/16/713281416.db2.gz HBUBDNMPYZUPBQ-BYNSBNAKSA-N 1 1 301.346 1.137 20 5 DDBDMO C[C@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643918 712104982 /nfs/dbraw/zinc/10/49/82/712104982.db2.gz OLJQCUOLNWWVKV-ZIAGYGMSSA-N 1 1 307.394 1.745 20 5 DDBDMO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643918 712104986 /nfs/dbraw/zinc/10/49/86/712104986.db2.gz OLJQCUOLNWWVKV-ZIAGYGMSSA-N 1 1 307.394 1.745 20 5 DDBDMO CC[N@H+](CCOC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000921047146 713709932 /nfs/dbraw/zinc/70/99/32/713709932.db2.gz SPFPIBSJRIOKLX-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO CC[N@@H+](CCOC)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000921047146 713709934 /nfs/dbraw/zinc/70/99/34/713709934.db2.gz SPFPIBSJRIOKLX-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO COC(=O)/C=C(/C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989010 713729902 /nfs/dbraw/zinc/72/99/02/713729902.db2.gz POUJFPYDXUQZKY-RDQDRAATSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C=C(/C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989010 713729903 /nfs/dbraw/zinc/72/99/03/713729903.db2.gz POUJFPYDXUQZKY-RDQDRAATSA-N 1 1 320.349 1.595 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000930684317 713895824 /nfs/dbraw/zinc/89/58/24/713895824.db2.gz OVJANDGHURFVPJ-VXGBXAGGSA-N 1 1 301.387 1.746 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932436611 714330829 /nfs/dbraw/zinc/33/08/29/714330829.db2.gz YYOVMGAAMPFFPC-LBPRGKRZSA-N 1 1 323.397 1.479 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932436611 714330830 /nfs/dbraw/zinc/33/08/30/714330830.db2.gz YYOVMGAAMPFFPC-LBPRGKRZSA-N 1 1 323.397 1.479 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000933088975 714514798 /nfs/dbraw/zinc/51/47/98/714514798.db2.gz NXFJITWUOQYZOJ-CYBMUJFWSA-N 1 1 308.382 1.967 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001164667040 719385867 /nfs/dbraw/zinc/38/58/67/719385867.db2.gz MNXYLSYULDGMCU-CABCVRRESA-N 1 1 314.345 1.662 20 5 DDBDMO Cc1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c([N+](=O)[O-])c1 ZINC001164965307 722067828 /nfs/dbraw/zinc/06/78/28/722067828.db2.gz INIOPPYVUTYPBE-OKILXGFUSA-N 1 1 318.377 1.598 20 5 DDBDMO O=C(NCC[NH2+]CC/C=C/c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936868 742853981 /nfs/dbraw/zinc/85/39/81/742853981.db2.gz VGZSLUAHJPXVKA-GMLRFVCHSA-N 1 1 303.362 1.461 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001035704261 751790736 /nfs/dbraw/zinc/79/07/36/751790736.db2.gz IJQSRLKRPWIOBT-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001002786563 743428160 /nfs/dbraw/zinc/42/81/60/743428160.db2.gz BUWWPMVQJMTTOE-ZIAGYGMSSA-N 1 1 323.418 1.802 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC001183611607 743861233 /nfs/dbraw/zinc/86/12/33/743861233.db2.gz LGADBJNWEDIHCS-SNVBAGLBSA-N 1 1 321.381 1.193 20 5 DDBDMO NC(=O)c1cc(N2CCc3cc[nH+]c(N)c3C2)ccc1[N+](=O)[O-] ZINC001187870822 744630113 /nfs/dbraw/zinc/63/01/13/744630113.db2.gz FRJSTJRHJPBWFV-UHFFFAOYSA-N 1 1 313.317 1.234 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCn1cnnc1 ZINC001197458644 747179368 /nfs/dbraw/zinc/17/93/68/747179368.db2.gz KMNSCUVRAZXQKW-NSHDSACASA-N 1 1 318.337 1.145 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCn1cnnc1 ZINC001197458644 747179374 /nfs/dbraw/zinc/17/93/74/747179374.db2.gz KMNSCUVRAZXQKW-NSHDSACASA-N 1 1 318.337 1.145 20 5 DDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001198111684 747384285 /nfs/dbraw/zinc/38/42/85/747384285.db2.gz IPACLMWCYZNVTC-CHWSQXEVSA-N 1 1 306.322 1.365 20 5 DDBDMO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000996429705 749588806 /nfs/dbraw/zinc/58/88/06/749588806.db2.gz SXLJFKAXWODRMS-CHWSQXEVSA-N 1 1 324.406 1.197 20 5 DDBDMO O=C1CC[C@H]2[C@H](CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019307 762199997 /nfs/dbraw/zinc/19/99/97/762199997.db2.gz HOAZBEKFZLGCFT-WCVJEAGWSA-N 1 1 321.421 1.907 20 5 DDBDMO CCOCc1nnn2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169024848 762202082 /nfs/dbraw/zinc/20/20/82/762202082.db2.gz RNRAIWWWUDDCGA-STQMWFEESA-N 1 1 323.397 1.466 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1nccc(Br)c1[N+](=O)[O-] ZINC001170900031 771898964 /nfs/dbraw/zinc/89/89/64/771898964.db2.gz HIRSRMILQRRLPC-ZETCQYMHSA-N 1 1 304.148 1.188 20 5 DDBDMO [NH3+]Cc1nc(=O)[nH]n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901205 776915709 /nfs/dbraw/zinc/91/57/09/776915709.db2.gz KYATZUUXTSCEIH-NSHDSACASA-N 1 1 303.322 1.471 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H](O)[C@@H](CO)C1)CC2 ZINC001172905987 776917310 /nfs/dbraw/zinc/91/73/10/776917310.db2.gz VYWFWNLHZXMGFN-FMKPAKJESA-N 1 1 306.362 1.127 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001173235331 777064358 /nfs/dbraw/zinc/06/43/58/777064358.db2.gz WEURANYEBVCLFG-IUODEOHRSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001173235331 777064363 /nfs/dbraw/zinc/06/43/63/777064363.db2.gz WEURANYEBVCLFG-IUODEOHRSA-N 1 1 303.362 1.832 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173235758 777064995 /nfs/dbraw/zinc/06/49/95/777064995.db2.gz ZBICMRKMGHMXAD-RABLLNBGSA-N 1 1 304.346 1.877 20 5 DDBDMO C[C@H]([NH2+]CC(=O)Nc1cccnn1)c1ccccc1[N+](=O)[O-] ZINC001175890585 777945696 /nfs/dbraw/zinc/94/56/96/777945696.db2.gz DGSPKDFILVQTPR-JTQLQIEISA-N 1 1 301.306 1.674 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001119413172 781442427 /nfs/dbraw/zinc/44/24/27/781442427.db2.gz PBJHAYAPGGBKSI-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001121792105 858598112 /nfs/dbraw/zinc/59/81/12/858598112.db2.gz QBCVQBDQRUMUPN-UHFFFAOYSA-N 1 1 310.402 1.385 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313641 860824250 /nfs/dbraw/zinc/82/42/50/860824250.db2.gz HKBSOLALDJVALY-YEZGLVMTSA-N 1 1 319.336 1.863 20 5 DDBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313641 860824256 /nfs/dbraw/zinc/82/42/56/860824256.db2.gz HKBSOLALDJVALY-YEZGLVMTSA-N 1 1 319.336 1.863 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@H]([N@@H+](C)C(C)C)C2)c([N+](=O)[O-])c1 ZINC001157010085 863515208 /nfs/dbraw/zinc/51/52/08/863515208.db2.gz OGRWJRGDKWLRNA-LBPRGKRZSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOc1nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157271751 863700665 /nfs/dbraw/zinc/70/06/65/863700665.db2.gz JEPFBZOOKHSRLO-YPMHNXCESA-N 1 1 306.366 1.919 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001330570313 864458330 /nfs/dbraw/zinc/45/83/30/864458330.db2.gz AESZOOKKNROUAC-ZLDLUXBVSA-N 1 1 321.377 1.569 20 5 DDBDMO CC/C(C)=C\C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277049248 881869046 /nfs/dbraw/zinc/86/90/46/881869046.db2.gz PXKAHENYPJYCKK-XFFZJAGNSA-N 1 1 321.381 1.423 20 5 DDBDMO O=C(NCC1([NH2+]CCCc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001277055002 881907839 /nfs/dbraw/zinc/90/78/39/881907839.db2.gz LDYAHLMRHMHVFU-CHWSQXEVSA-N 1 1 323.418 1.584 20 5 DDBDMO Cn1c(=O)c([N+](=O)[O-])c(NCC[NH+]2CC=CC2)c2ccccc21 ZINC001334941646 867930999 /nfs/dbraw/zinc/93/09/99/867930999.db2.gz JDNHCTGSOFWLOG-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC001336797186 869148583 /nfs/dbraw/zinc/14/85/83/869148583.db2.gz KBQVQJMIRGZCGM-HNNXBMFYSA-N 1 1 308.334 1.656 20 5 DDBDMO CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001317205208 870466808 /nfs/dbraw/zinc/46/68/08/870466808.db2.gz QQWMYNNIEXQGQS-FOLVSLTJSA-N 1 1 319.361 1.178 20 5 DDBDMO C[NH+]1CCN(c2cc(Nc3cccc([N+](=O)[O-])c3)ncn2)CC1 ZINC001204416262 871097976 /nfs/dbraw/zinc/09/79/76/871097976.db2.gz TWCSDIMKRIBKNH-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC001306995043 871389998 /nfs/dbraw/zinc/38/99/98/871389998.db2.gz JETQVFCEJLQDDN-LLVKDONJSA-N 1 1 304.354 1.521 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](CC2CCCCCC2)CC1 ZINC001313444795 871805891 /nfs/dbraw/zinc/80/58/91/871805891.db2.gz KBSUGZQGFTWMSA-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001349696119 875311327 /nfs/dbraw/zinc/31/13/27/875311327.db2.gz ZFCMKJFTIVKZTG-LERXQTSPSA-N 1 1 319.361 1.673 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@]12CC[N@@H+](C1)CCC2 ZINC001350052768 875518422 /nfs/dbraw/zinc/51/84/22/875518422.db2.gz JOBISYGAMUTDHI-MRXNPFEDSA-N 1 1 303.362 1.739 20 5 DDBDMO C[C@@H](CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001353298241 877238496 /nfs/dbraw/zinc/23/84/96/877238496.db2.gz RVQGSUCOYOXWPT-JSGCOSHPSA-N 1 1 311.382 1.264 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414039 878544341 /nfs/dbraw/zinc/54/43/41/878544341.db2.gz ASNDSVMJQKZSSC-VXGBXAGGSA-N 1 1 310.402 1.321 20 5 DDBDMO COC(=O)c1cc(O[C@H]2C[NH+]3CCC2CC3)c(F)cc1[N+](=O)[O-] ZINC001229943725 884243730 /nfs/dbraw/zinc/24/37/30/884243730.db2.gz UJWAJFFDSDRHCF-AWEZNQCLSA-N 1 1 324.308 1.994 20 5 DDBDMO CCCOCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001235137893 888431757 /nfs/dbraw/zinc/43/17/57/888431757.db2.gz SGJYTQPZRQTEHP-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO C[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC001290900460 913536689 /nfs/dbraw/zinc/53/66/89/913536689.db2.gz UYGRNIOCIRWHMR-GHMZBOCLSA-N 1 1 321.381 1.422 20 5 DDBDMO CS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601272 896524960 /nfs/dbraw/zinc/52/49/60/896524960.db2.gz XGZGQMQVTBZCOU-UONOGXRCSA-N 1 1 310.375 1.181 20 5 DDBDMO CS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601272 896524972 /nfs/dbraw/zinc/52/49/72/896524972.db2.gz XGZGQMQVTBZCOU-UONOGXRCSA-N 1 1 310.375 1.181 20 5 DDBDMO O=C1NCC[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]12 ZINC001254608761 896530742 /nfs/dbraw/zinc/53/07/42/896530742.db2.gz SLUNJKYSTNQONM-TUKIKUTGSA-N 1 1 301.346 1.130 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCOC3(CCOCC3)C1)C2 ZINC001254608086 896530992 /nfs/dbraw/zinc/53/09/92/896530992.db2.gz OZUVYJOOAOLJIR-INIZCTEOSA-N 1 1 318.373 1.943 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610928 896531745 /nfs/dbraw/zinc/53/17/45/896531745.db2.gz MTWOTTIBRBDBGM-LSDHHAIUSA-N 1 1 320.345 1.326 20 5 DDBDMO CC[N@H+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)C[C@@H]1C ZINC001262864549 900401966 /nfs/dbraw/zinc/40/19/66/900401966.db2.gz JVURDXUIZSQWNV-JTQLQIEISA-N 1 1 320.353 1.514 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001263415595 900605716 /nfs/dbraw/zinc/60/57/16/900605716.db2.gz HFMFGEIQCCKOEG-CHWSQXEVSA-N 1 1 324.429 1.802 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001293928023 914778140 /nfs/dbraw/zinc/77/81/40/914778140.db2.gz LVTLVHMJSRGTFY-SNVBAGLBSA-N 1 1 321.333 1.662 20 5 DDBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000295628503 529381810 /nfs/dbraw/zinc/38/18/10/529381810.db2.gz FRPFWRQAHCRYGM-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000295628503 529381811 /nfs/dbraw/zinc/38/18/11/529381811.db2.gz FRPFWRQAHCRYGM-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000181545872 199314594 /nfs/dbraw/zinc/31/45/94/199314594.db2.gz QQUHRFVBOZMCRQ-OAHLLOKOSA-N 1 1 316.361 1.735 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](Cc3ccccc3)C2)n1 ZINC000181545872 199314596 /nfs/dbraw/zinc/31/45/96/199314596.db2.gz QQUHRFVBOZMCRQ-OAHLLOKOSA-N 1 1 316.361 1.735 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244219 529810620 /nfs/dbraw/zinc/81/06/20/529810620.db2.gz ZFBPQJSEUZTPPB-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000305806501 529983940 /nfs/dbraw/zinc/98/39/40/529983940.db2.gz KCGGJXJDSFVEFN-HIFRSBDPSA-N 1 1 321.377 1.677 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000457118801 231993263 /nfs/dbraw/zinc/99/32/63/231993263.db2.gz KKAHNYYGONKDKC-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000457118801 231993265 /nfs/dbraw/zinc/99/32/65/231993265.db2.gz KKAHNYYGONKDKC-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO CC[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286770071 219157231 /nfs/dbraw/zinc/15/72/31/219157231.db2.gz ZUBHWUABKQBPCV-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1nnc2n1CCOC2 ZINC000616488242 362720944 /nfs/dbraw/zinc/72/09/44/362720944.db2.gz WEEJNEALMAQTCO-HYXAFXHYSA-N 1 1 315.333 1.520 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649274 210055367 /nfs/dbraw/zinc/05/53/67/210055367.db2.gz ZAFAHVRAPVPCEE-AAEUAGOBSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000272649274 210055370 /nfs/dbraw/zinc/05/53/70/210055370.db2.gz ZAFAHVRAPVPCEE-AAEUAGOBSA-N 1 1 319.361 1.187 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCn1cc(Cl)cn1)CC2 ZINC000459391721 233159111 /nfs/dbraw/zinc/15/91/11/233159111.db2.gz CUCOOFPQTQCRCC-UHFFFAOYSA-N 1 1 307.741 1.898 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000155702427 186105161 /nfs/dbraw/zinc/10/51/61/186105161.db2.gz JXPAUINOOLQWGD-UHFFFAOYSA-N 1 1 320.349 1.088 20 5 DDBDMO CNC(=O)c1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000172717405 198140447 /nfs/dbraw/zinc/14/04/47/198140447.db2.gz OCACZAGUXLVMJA-UHFFFAOYSA-N 1 1 317.349 1.283 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000047143874 352483097 /nfs/dbraw/zinc/48/30/97/352483097.db2.gz ZWMQUKYXECALPP-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069000607 353140285 /nfs/dbraw/zinc/14/02/85/353140285.db2.gz XSJKHEUVCWQUTN-LBPRGKRZSA-N 1 1 306.366 1.849 20 5 DDBDMO COCCC(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355725851 290984908 /nfs/dbraw/zinc/98/49/08/290984908.db2.gz HIGSZXZCBZXWPP-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000072562361 353202144 /nfs/dbraw/zinc/20/21/44/353202144.db2.gz QKEOEJPRZOFNRE-UHFFFAOYSA-N 1 1 306.366 1.804 20 5 DDBDMO CCc1ccc(C(=O)NCCC[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000174087611 198290210 /nfs/dbraw/zinc/29/02/10/198290210.db2.gz BRXHODJHYDMIGU-UHFFFAOYSA-N 1 1 323.393 1.855 20 5 DDBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000075645593 353373770 /nfs/dbraw/zinc/37/37/70/353373770.db2.gz CUYUASODADZSNY-AWEZNQCLSA-N 1 1 312.370 1.043 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C1 ZINC000078583679 353523105 /nfs/dbraw/zinc/52/31/05/353523105.db2.gz ZQJYWOQPFDPQLO-GFCCVEGCSA-N 1 1 320.393 1.732 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000081128186 353653892 /nfs/dbraw/zinc/65/38/92/353653892.db2.gz CHJBGEOSVBZVHU-KFWWJZLASA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000081128186 353653897 /nfs/dbraw/zinc/65/38/97/353653897.db2.gz CHJBGEOSVBZVHU-KFWWJZLASA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000081128186 353653888 /nfs/dbraw/zinc/65/38/88/353653888.db2.gz CHJBGEOSVBZVHU-KFWWJZLASA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@H+](Cc1cccnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182251020 199410270 /nfs/dbraw/zinc/41/02/70/199410270.db2.gz VKRYPAIRIDIRFO-CQSZACIVSA-N 1 1 317.345 1.862 20 5 DDBDMO C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000105199266 353934716 /nfs/dbraw/zinc/93/47/16/353934716.db2.gz WERRSDFBIMWHMK-NSHDSACASA-N 1 1 306.366 1.877 20 5 DDBDMO CC(C)[NH2+]CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151751925 354186838 /nfs/dbraw/zinc/18/68/38/354186838.db2.gz LSNVGXVWOHFUHX-UHFFFAOYSA-N 1 1 305.338 1.589 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157312714 354224373 /nfs/dbraw/zinc/22/43/73/354224373.db2.gz OOLNTIGGWVKKCX-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC000157312714 354224377 /nfs/dbraw/zinc/22/43/77/354224377.db2.gz OOLNTIGGWVKKCX-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237517481 354343022 /nfs/dbraw/zinc/34/30/22/354343022.db2.gz ZSGAGBBGMRRYHH-IUCAKERBSA-N 1 1 303.322 1.423 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000315940042 354498130 /nfs/dbraw/zinc/49/81/30/354498130.db2.gz YOSOYYFXRYHQLI-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000315940042 354498131 /nfs/dbraw/zinc/49/81/31/354498131.db2.gz YOSOYYFXRYHQLI-LLVKDONJSA-N 1 1 306.366 1.803 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198449 354972743 /nfs/dbraw/zinc/97/27/43/354972743.db2.gz MWZPFVALOZDOKN-UHFFFAOYSA-N 1 1 321.377 1.892 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000589517082 354998533 /nfs/dbraw/zinc/99/85/33/354998533.db2.gz TZQFXYPMBVDGCI-SNVBAGLBSA-N 1 1 321.333 1.079 20 5 DDBDMO COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000590011038 355040153 /nfs/dbraw/zinc/04/01/53/355040153.db2.gz GHOUWWSSBDIVIL-IINYFYTJSA-N 1 1 309.341 1.878 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590446517 355099743 /nfs/dbraw/zinc/09/97/43/355099743.db2.gz WBWYIZYCOOEZEF-SMDDNHRTSA-N 1 1 323.780 1.953 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cn1 ZINC000590685650 355146655 /nfs/dbraw/zinc/14/66/55/355146655.db2.gz HYNULAHNTKCNMM-CQSZACIVSA-N 1 1 306.366 1.681 20 5 DDBDMO CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C)C1 ZINC000592830309 355705853 /nfs/dbraw/zinc/70/58/53/355705853.db2.gz CSPWISRYVJKJMR-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000592831447 355707361 /nfs/dbraw/zinc/70/73/61/355707361.db2.gz MMQODIRDNHIOOR-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCO)C2CCC2)c1 ZINC000593025088 355772710 /nfs/dbraw/zinc/77/27/10/355772710.db2.gz OPRPVTUBWMCFNP-UHFFFAOYSA-N 1 1 308.334 1.728 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603135 356261704 /nfs/dbraw/zinc/26/17/04/356261704.db2.gz KTNIOQNXNNKBMC-QWHCGFSZSA-N 1 1 314.345 1.398 20 5 DDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080791375 192190726 /nfs/dbraw/zinc/19/07/26/192190726.db2.gz JFJKFWJHLGVCFG-UHFFFAOYSA-N 1 1 315.395 1.605 20 5 DDBDMO CC[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000595535544 356538268 /nfs/dbraw/zinc/53/82/68/356538268.db2.gz HBYFIXNVSDTIEY-ZDUSSCGKSA-N 1 1 308.382 1.173 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608765 356575933 /nfs/dbraw/zinc/57/59/33/356575933.db2.gz VQSYUPMGLBXCAZ-LLVKDONJSA-N 1 1 305.313 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595742403 356631361 /nfs/dbraw/zinc/63/13/61/356631361.db2.gz FYZPQKPVSCLEMH-HBYGRHMLSA-N 1 1 307.350 1.482 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595742403 356631365 /nfs/dbraw/zinc/63/13/65/356631365.db2.gz FYZPQKPVSCLEMH-HBYGRHMLSA-N 1 1 307.350 1.482 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000595744273 356632466 /nfs/dbraw/zinc/63/24/66/356632466.db2.gz VHQBGQPZIFARMN-QWHCGFSZSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760092 356640999 /nfs/dbraw/zinc/64/09/99/356640999.db2.gz SAAVOGBZDSXQDV-NHYWBVRUSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760092 356641003 /nfs/dbraw/zinc/64/10/03/356641003.db2.gz SAAVOGBZDSXQDV-NHYWBVRUSA-N 1 1 305.334 1.502 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595857494 356680099 /nfs/dbraw/zinc/68/00/99/356680099.db2.gz XVYUXKYSJBHEFP-JGZJWPJOSA-N 1 1 318.333 1.855 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595857494 356680102 /nfs/dbraw/zinc/68/01/02/356680102.db2.gz XVYUXKYSJBHEFP-JGZJWPJOSA-N 1 1 318.333 1.855 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1COCC[NH2+]1 ZINC000237257642 202207386 /nfs/dbraw/zinc/20/73/86/202207386.db2.gz HSDOCWANYOEXFU-GFCCVEGCSA-N 1 1 313.741 1.195 20 5 DDBDMO Cn1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000597574950 357234895 /nfs/dbraw/zinc/23/48/95/357234895.db2.gz JEJUEPKJRNKHDZ-WDEREUQCSA-N 1 1 310.329 1.192 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000597680586 357282301 /nfs/dbraw/zinc/28/23/01/357282301.db2.gz WYNCABKWTXFAGG-LLVKDONJSA-N 1 1 322.365 1.248 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000597669415 357276292 /nfs/dbraw/zinc/27/62/92/357276292.db2.gz SWZDMYLSNMDUGE-ZDUSSCGKSA-N 1 1 307.350 1.871 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000597669415 357276295 /nfs/dbraw/zinc/27/62/95/357276295.db2.gz SWZDMYLSNMDUGE-ZDUSSCGKSA-N 1 1 307.350 1.871 20 5 DDBDMO CCN(C(=O)CCn1nc(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000597946292 357394588 /nfs/dbraw/zinc/39/45/88/357394588.db2.gz NKFYEUQTEJYECG-ZDUSSCGKSA-N 1 1 323.397 1.351 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598454588 357589517 /nfs/dbraw/zinc/58/95/17/357589517.db2.gz WZCONPTVWWWYCE-OAHLLOKOSA-N 1 1 319.361 1.266 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000598595181 357646753 /nfs/dbraw/zinc/64/67/53/357646753.db2.gz GUVMBIIUJKWFGM-NSHDSACASA-N 1 1 320.349 1.673 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH+]2CCOCC2)CC1 ZINC000599103277 357816377 /nfs/dbraw/zinc/81/63/77/357816377.db2.gz IDPZDXSLZFUYBN-UHFFFAOYSA-N 1 1 323.397 1.421 20 5 DDBDMO Cn1c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600472774 358234305 /nfs/dbraw/zinc/23/43/05/358234305.db2.gz QIGCQVQDHVAZKR-LBPRGKRZSA-N 1 1 306.366 1.680 20 5 DDBDMO CC(C)[C@@H]1CNCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715090 358292506 /nfs/dbraw/zinc/29/25/06/358292506.db2.gz RILSLGAYESUCLY-HNNXBMFYSA-N 1 1 320.393 1.853 20 5 DDBDMO CC(C)[C@@H]1CNCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715090 358292511 /nfs/dbraw/zinc/29/25/11/358292511.db2.gz RILSLGAYESUCLY-HNNXBMFYSA-N 1 1 320.393 1.853 20 5 DDBDMO Cc1cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000601080114 358397928 /nfs/dbraw/zinc/39/79/28/358397928.db2.gz LTDOJWXBXKFFOK-UHFFFAOYSA-N 1 1 300.318 1.997 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181120015 199254601 /nfs/dbraw/zinc/25/46/01/199254601.db2.gz JGITYEIENSIIIX-UHFFFAOYSA-N 1 1 317.349 1.892 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](CO)C1 ZINC000601979301 358763742 /nfs/dbraw/zinc/76/37/42/358763742.db2.gz DIPHERIWOVCYNT-SNVBAGLBSA-N 1 1 317.292 1.309 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](CO)C1 ZINC000601979301 358763743 /nfs/dbraw/zinc/76/37/43/358763743.db2.gz DIPHERIWOVCYNT-SNVBAGLBSA-N 1 1 317.292 1.309 20 5 DDBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602770893 359178290 /nfs/dbraw/zinc/17/82/90/359178290.db2.gz ZQTXUZYMLRJDHL-GFCCVEGCSA-N 1 1 309.370 1.090 20 5 DDBDMO CC(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602716948 359145561 /nfs/dbraw/zinc/14/55/61/359145561.db2.gz VZYGJYPHRFUOEA-AWEZNQCLSA-N 1 1 307.394 1.827 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000602815662 359212190 /nfs/dbraw/zinc/21/21/90/359212190.db2.gz FOWZWGKTNWPINC-SNVBAGLBSA-N 1 1 311.386 1.335 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000602815662 359212193 /nfs/dbraw/zinc/21/21/93/359212193.db2.gz FOWZWGKTNWPINC-SNVBAGLBSA-N 1 1 311.386 1.335 20 5 DDBDMO C[N@H+]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603431022 359636010 /nfs/dbraw/zinc/63/60/10/359636010.db2.gz JJBNBJVQSHETAA-UHFFFAOYSA-N 1 1 306.366 1.830 20 5 DDBDMO O=C(NCC[C@H]1CCC[NH2+]C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237879886 202377027 /nfs/dbraw/zinc/37/70/27/202377027.db2.gz ZMVDIVYJPJASPB-SNVBAGLBSA-N 1 1 317.349 1.591 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188688284 200287478 /nfs/dbraw/zinc/28/74/78/200287478.db2.gz OSJCNIZGLJEERF-GFCCVEGCSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189412223 200396672 /nfs/dbraw/zinc/39/66/72/200396672.db2.gz OQYCCHPAVWFUGG-ZDUSSCGKSA-N 1 1 307.394 1.872 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383095 360302790 /nfs/dbraw/zinc/30/27/90/360302790.db2.gz IZNVBMPHZPZDAV-CYBMUJFWSA-N 1 1 319.361 1.818 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399729 360304308 /nfs/dbraw/zinc/30/43/08/360304308.db2.gz MLENLWSTPZLRND-AWEZNQCLSA-N 1 1 318.377 1.878 20 5 DDBDMO CN1CCC([N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609284391 360288266 /nfs/dbraw/zinc/28/82/66/360288266.db2.gz TXJMNHXHKZTNRG-UHFFFAOYSA-N 1 1 307.394 1.526 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413830 360714658 /nfs/dbraw/zinc/71/46/58/360714658.db2.gz ZDCIRLQOTITMGJ-LLVKDONJSA-N 1 1 324.406 1.399 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000194913718 201311999 /nfs/dbraw/zinc/31/19/99/201311999.db2.gz WNJWEJQFEBYLFK-GFCCVEGCSA-N 1 1 323.397 1.487 20 5 DDBDMO COc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440432 364010087 /nfs/dbraw/zinc/01/00/87/364010087.db2.gz GRFLTXONQVHRKC-MFKMUULPSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000619440432 364010089 /nfs/dbraw/zinc/01/00/89/364010089.db2.gz GRFLTXONQVHRKC-MFKMUULPSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CCOCC1 ZINC000275461291 212348562 /nfs/dbraw/zinc/34/85/62/212348562.db2.gz BWLGWJFJSMCASL-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000262606727 203348319 /nfs/dbraw/zinc/34/83/19/203348319.db2.gz ZGLPHFSHTJEFLM-NXEZZACHSA-N 1 1 317.349 1.671 20 5 DDBDMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382012 205304391 /nfs/dbraw/zinc/30/43/91/205304391.db2.gz AYSUYPNZTOOVQW-JQWIXIFHSA-N 1 1 322.390 1.833 20 5 DDBDMO CCOc1ccc(NC(=O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000023991024 182371594 /nfs/dbraw/zinc/37/15/94/182371594.db2.gz VSPMGWNOSGLVNQ-UHFFFAOYSA-N 1 1 322.365 1.179 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105824041 194137653 /nfs/dbraw/zinc/13/76/53/194137653.db2.gz VOFRVNBOCMZUAN-ZIAGYGMSSA-N 1 1 307.394 1.524 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339226008 250351988 /nfs/dbraw/zinc/35/19/88/250351988.db2.gz DLMMVQVNBYOBMI-NSHDSACASA-N 1 1 321.333 1.418 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(N)=O)C(C)C ZINC000063483185 184282895 /nfs/dbraw/zinc/28/28/95/184282895.db2.gz LEYDHUZLAGXUOH-UHFFFAOYSA-N 1 1 322.365 1.428 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]Cc3ccccc32)c1[N+](=O)[O-] ZINC000269169687 207291000 /nfs/dbraw/zinc/29/10/00/207291000.db2.gz HKYHDRKRLQABMP-UHFFFAOYSA-N 1 1 301.306 1.376 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000408199439 285079874 /nfs/dbraw/zinc/07/98/74/285079874.db2.gz SDWBDZIYOLXBMJ-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000408199439 285079876 /nfs/dbraw/zinc/07/98/76/285079876.db2.gz SDWBDZIYOLXBMJ-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000157498804 197192301 /nfs/dbraw/zinc/19/23/01/197192301.db2.gz PCJVMRFPBCKNCU-UHFFFAOYSA-N 1 1 309.366 1.678 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422718200 533222182 /nfs/dbraw/zinc/22/21/82/533222182.db2.gz PIEMKJNPXZSSRX-CVEARBPZSA-N 1 1 321.377 1.460 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444348967 533399484 /nfs/dbraw/zinc/39/94/84/533399484.db2.gz CPIADANUQANLFB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444348967 533399486 /nfs/dbraw/zinc/39/94/86/533399486.db2.gz CPIADANUQANLFB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1F ZINC000294409919 533517962 /nfs/dbraw/zinc/51/79/62/533517962.db2.gz QARCCAKRWKGESV-UHFFFAOYSA-N 1 1 311.313 1.520 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000068369196 406636740 /nfs/dbraw/zinc/63/67/40/406636740.db2.gz HJCFPSSDWGSHHR-CYBMUJFWSA-N 1 1 320.349 1.182 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069744288 406766794 /nfs/dbraw/zinc/76/67/94/406766794.db2.gz OGPPXIYQBQUKMQ-LBPRGKRZSA-N 1 1 323.349 1.372 20 5 DDBDMO C[C@H]1C[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123191410 407322326 /nfs/dbraw/zinc/32/23/26/407322326.db2.gz LUXHWLWXCDWBQL-SMDDNHRTSA-N 1 1 320.393 1.608 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067298489 407270386 /nfs/dbraw/zinc/27/03/86/407270386.db2.gz QHBPDEFNJHUYKR-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000098104769 407306144 /nfs/dbraw/zinc/30/61/44/407306144.db2.gz XPICEYVYJPLXJZ-SNVBAGLBSA-N 1 1 309.370 1.098 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076091 407346782 /nfs/dbraw/zinc/34/67/82/407346782.db2.gz DYBGGNXVQRNWFN-QWRGUYRKSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076091 407346784 /nfs/dbraw/zinc/34/67/84/407346784.db2.gz DYBGGNXVQRNWFN-QWRGUYRKSA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000107632171 407377487 /nfs/dbraw/zinc/37/74/87/407377487.db2.gz NBTYALDRBNCRQO-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000255558765 407473099 /nfs/dbraw/zinc/47/30/99/407473099.db2.gz WDAYHAZRIKAWCK-XQRVVYSFSA-N 1 1 305.378 1.872 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706295 407480387 /nfs/dbraw/zinc/48/03/87/407480387.db2.gz MLBHCVWKULZFMP-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706295 407480400 /nfs/dbraw/zinc/48/04/00/407480400.db2.gz MLBHCVWKULZFMP-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706295 407480402 /nfs/dbraw/zinc/48/04/02/407480402.db2.gz MLBHCVWKULZFMP-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706295 407480408 /nfs/dbraw/zinc/48/04/08/407480408.db2.gz MLBHCVWKULZFMP-NSHDSACASA-N 1 1 309.370 1.293 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185725314 407486796 /nfs/dbraw/zinc/48/67/96/407486796.db2.gz ULPXXBLXQSENTR-KOLCDFICSA-N 1 1 308.338 1.108 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000112925727 407447214 /nfs/dbraw/zinc/44/72/14/407447214.db2.gz OJHYPUBBUMRDPW-UHFFFAOYSA-N 1 1 308.382 1.855 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000185910968 407535348 /nfs/dbraw/zinc/53/53/48/407535348.db2.gz YGHSNHKDMOOOOU-HNNXBMFYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000185910968 407535354 /nfs/dbraw/zinc/53/53/54/407535354.db2.gz YGHSNHKDMOOOOU-HNNXBMFYSA-N 1 1 307.350 1.704 20 5 DDBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188013 407550273 /nfs/dbraw/zinc/55/02/73/407550273.db2.gz FXFZWVBSSBXKJX-DZGCQCFKSA-N 1 1 321.377 1.819 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000171161979 407615151 /nfs/dbraw/zinc/61/51/51/407615151.db2.gz KUXWNUSDRNFLNH-UHFFFAOYSA-N 1 1 324.381 1.743 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000152783021 407687850 /nfs/dbraw/zinc/68/78/50/407687850.db2.gz NAGGURHPINTMTK-UHFFFAOYSA-N 1 1 321.333 1.804 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000152783021 407687856 /nfs/dbraw/zinc/68/78/56/407687856.db2.gz NAGGURHPINTMTK-UHFFFAOYSA-N 1 1 321.333 1.804 20 5 DDBDMO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(C)C ZINC000152903766 407712451 /nfs/dbraw/zinc/71/24/51/407712451.db2.gz IMUCKVAKTAKJPA-NSHDSACASA-N 1 1 311.386 1.804 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261902501 407663444 /nfs/dbraw/zinc/66/34/44/407663444.db2.gz GQXFJRPPJZSNQN-HNNXBMFYSA-N 1 1 312.329 1.777 20 5 DDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118121041 407894120 /nfs/dbraw/zinc/89/41/20/407894120.db2.gz CSHTZRZYACTLHS-UHFFFAOYSA-N 1 1 320.349 1.134 20 5 DDBDMO COc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268162937 407923423 /nfs/dbraw/zinc/92/34/23/407923423.db2.gz ILSBHFSSDNCDSJ-MFKMUULPSA-N 1 1 319.361 1.816 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000153987520 407945138 /nfs/dbraw/zinc/94/51/38/407945138.db2.gz DRSVDKDIDQUWJW-UHFFFAOYSA-N 1 1 319.321 1.363 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024087 408024612 /nfs/dbraw/zinc/02/46/12/408024612.db2.gz LNIAOFZVFUROPF-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024087 408024620 /nfs/dbraw/zinc/02/46/20/408024620.db2.gz LNIAOFZVFUROPF-MGPQQGTHSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026081 /nfs/dbraw/zinc/02/60/81/408026081.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026116 /nfs/dbraw/zinc/02/61/16/408026116.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026122 /nfs/dbraw/zinc/02/61/22/408026122.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 1 1 322.409 1.419 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181888846 408049356 /nfs/dbraw/zinc/04/93/56/408049356.db2.gz KDVUQCYUCGMXRW-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181888846 408049363 /nfs/dbraw/zinc/04/93/63/408049363.db2.gz KDVUQCYUCGMXRW-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245452279 407988168 /nfs/dbraw/zinc/98/81/68/407988168.db2.gz QFZOFCAXHORIPK-XHDPSFHLSA-N 1 1 320.349 1.551 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000190034275 408150654 /nfs/dbraw/zinc/15/06/54/408150654.db2.gz XWDDTNNSCJNEMO-UHFFFAOYSA-N 1 1 323.349 1.246 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000190034275 408150660 /nfs/dbraw/zinc/15/06/60/408150660.db2.gz XWDDTNNSCJNEMO-UHFFFAOYSA-N 1 1 323.349 1.246 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000190169645 408182341 /nfs/dbraw/zinc/18/23/41/408182341.db2.gz FONRFWMXFAYBPV-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO C[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000121354935 408190655 /nfs/dbraw/zinc/19/06/55/408190655.db2.gz CDIBHVKTTSNDBK-UHFFFAOYSA-N 1 1 302.334 1.393 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190405237 408237850 /nfs/dbraw/zinc/23/78/50/408237850.db2.gz ROEFFTLLCMCLJV-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C)CC1 ZINC000122188160 408264132 /nfs/dbraw/zinc/26/41/32/408264132.db2.gz FHFLWMBJHQWIOK-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221237 408314598 /nfs/dbraw/zinc/31/45/98/408314598.db2.gz SHWWDMWFIMONNO-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246751975 408332808 /nfs/dbraw/zinc/33/28/08/408332808.db2.gz OOWAGRPRUYSLNB-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269394927 408294215 /nfs/dbraw/zinc/29/42/15/408294215.db2.gz MRUDOKGZYJESRZ-NSHDSACASA-N 1 1 323.397 1.855 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269394927 408294220 /nfs/dbraw/zinc/29/42/20/408294220.db2.gz MRUDOKGZYJESRZ-NSHDSACASA-N 1 1 323.397 1.855 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269394927 408294224 /nfs/dbraw/zinc/29/42/24/408294224.db2.gz MRUDOKGZYJESRZ-NSHDSACASA-N 1 1 323.397 1.855 20 5 DDBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264169486 408387131 /nfs/dbraw/zinc/38/71/31/408387131.db2.gz VHNIJCNIDYSQGI-UHFFFAOYSA-N 1 1 313.379 1.311 20 5 DDBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264169486 408387138 /nfs/dbraw/zinc/38/71/38/408387138.db2.gz VHNIJCNIDYSQGI-UHFFFAOYSA-N 1 1 313.379 1.311 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176714154 408422106 /nfs/dbraw/zinc/42/21/06/408422106.db2.gz RSEYAPWAGBUPLH-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C(C)C ZINC000177034652 408502106 /nfs/dbraw/zinc/50/21/06/408502106.db2.gz YHDGLFUAYQULMA-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]12 ZINC000248621839 408601296 /nfs/dbraw/zinc/60/12/96/408601296.db2.gz NBERQTNIEKNCIX-KPXOXKRLSA-N 1 1 315.333 1.280 20 5 DDBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000248450325 408567585 /nfs/dbraw/zinc/56/75/85/408567585.db2.gz IPDLHFBVUAHXBB-QWHCGFSZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000248450325 408567590 /nfs/dbraw/zinc/56/75/90/408567590.db2.gz IPDLHFBVUAHXBB-QWHCGFSZSA-N 1 1 324.377 1.834 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265202226 408578853 /nfs/dbraw/zinc/57/88/53/408578853.db2.gz REIWBFUYTHTKIP-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000265202226 408578856 /nfs/dbraw/zinc/57/88/56/408578856.db2.gz REIWBFUYTHTKIP-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265202226 408578861 /nfs/dbraw/zinc/57/88/61/408578861.db2.gz REIWBFUYTHTKIP-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265443820 408654875 /nfs/dbraw/zinc/65/48/75/408654875.db2.gz ZZLILLFOZUOFOH-GFCCVEGCSA-N 1 1 322.365 1.745 20 5 DDBDMO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270855085 408710168 /nfs/dbraw/zinc/71/01/68/408710168.db2.gz HGYXFZWRMWGFDJ-FZMZJTMJSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000251665686 408784223 /nfs/dbraw/zinc/78/42/23/408784223.db2.gz LGRKVBSWWMXUKK-MNOVXSKESA-N 1 1 322.365 1.546 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251655667 408784244 /nfs/dbraw/zinc/78/42/44/408784244.db2.gz HTRFWMIFWMOBLC-XJKCOSOUSA-N 1 1 324.377 1.691 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756982 408772276 /nfs/dbraw/zinc/77/22/76/408772276.db2.gz GITOOJMKOJQUNZ-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000290802662 408835614 /nfs/dbraw/zinc/83/56/14/408835614.db2.gz QAMMDGPRACTLPS-AWEZNQCLSA-N 1 1 316.361 1.913 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189385351 163098477 /nfs/dbraw/zinc/09/84/77/163098477.db2.gz SBUHPNNZXGMDMR-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189385351 163098478 /nfs/dbraw/zinc/09/84/78/163098478.db2.gz SBUHPNNZXGMDMR-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292111185 408981855 /nfs/dbraw/zinc/98/18/55/408981855.db2.gz FVUZRMLNNBOQGI-MRXNPFEDSA-N 1 1 319.361 1.528 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCO)CC1 ZINC000293127464 409053758 /nfs/dbraw/zinc/05/37/58/409053758.db2.gz MQDRTOMBAYZXIG-UHFFFAOYSA-N 1 1 307.350 1.125 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293247942 409075559 /nfs/dbraw/zinc/07/55/59/409075559.db2.gz BGXKXBUEIQABQF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000293247942 409075562 /nfs/dbraw/zinc/07/55/62/409075562.db2.gz BGXKXBUEIQABQF-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000287831232 409099653 /nfs/dbraw/zinc/09/96/53/409099653.db2.gz KSLNIWWPIUBWHD-JTQLQIEISA-N 1 1 322.365 1.979 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000278877649 409106492 /nfs/dbraw/zinc/10/64/92/409106492.db2.gz OJCKVXNKYYUCQI-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000278877649 409106495 /nfs/dbraw/zinc/10/64/95/409106495.db2.gz OJCKVXNKYYUCQI-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000280213286 409270670 /nfs/dbraw/zinc/27/06/70/409270670.db2.gz KUGLJSVMVKDTCZ-UHFFFAOYSA-N 1 1 304.350 1.385 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290555349 409443602 /nfs/dbraw/zinc/44/36/02/409443602.db2.gz QXSWNAIFIVJIOC-NSHDSACASA-N 1 1 321.381 1.765 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000408093167 164225847 /nfs/dbraw/zinc/22/58/47/164225847.db2.gz UZTNZWOQJBBREC-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000408093167 164225848 /nfs/dbraw/zinc/22/58/48/164225848.db2.gz UZTNZWOQJBBREC-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408111932 164231725 /nfs/dbraw/zinc/23/17/25/164231725.db2.gz GFZLVOBDUXKHMM-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408111932 164231727 /nfs/dbraw/zinc/23/17/27/164231727.db2.gz GFZLVOBDUXKHMM-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408130123 164236891 /nfs/dbraw/zinc/23/68/91/164236891.db2.gz SVISMLNEOMLWSX-MWLCHTKSSA-N 1 1 309.370 1.191 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295435931 409481449 /nfs/dbraw/zinc/48/14/49/409481449.db2.gz VGXOQQZNLRBISC-NSHDSACASA-N 1 1 319.361 1.857 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295435931 409481465 /nfs/dbraw/zinc/48/14/65/409481465.db2.gz VGXOQQZNLRBISC-NSHDSACASA-N 1 1 319.361 1.857 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@H]21 ZINC000408463578 164339379 /nfs/dbraw/zinc/33/93/79/164339379.db2.gz GJEABXPGXXOGLW-BMIGLBTASA-N 1 1 314.345 1.852 20 5 DDBDMO Cc1nc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453156 409564810 /nfs/dbraw/zinc/56/48/10/409564810.db2.gz IWHUKZBRKONVSM-GHMZBOCLSA-N 1 1 323.397 1.993 20 5 DDBDMO O=C1[C@H]([N@@H+]2CCC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717253 409639846 /nfs/dbraw/zinc/63/98/46/409639846.db2.gz NLQOMXZSKVCMJJ-SWLSCSKDSA-N 1 1 319.361 1.404 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304717253 409639852 /nfs/dbraw/zinc/63/98/52/409639852.db2.gz NLQOMXZSKVCMJJ-SWLSCSKDSA-N 1 1 319.361 1.404 20 5 DDBDMO COc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331520068 409593774 /nfs/dbraw/zinc/59/37/74/409593774.db2.gz NVPNIHAVQHHCIW-GXFFZTMASA-N 1 1 319.361 1.816 20 5 DDBDMO COc1c(C(=O)NCCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000338173282 409773820 /nfs/dbraw/zinc/77/38/20/409773820.db2.gz AHUFVDCJWUMCSZ-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000338181149 409780046 /nfs/dbraw/zinc/78/00/46/409780046.db2.gz TZYFWVWPHXXWPL-UHFFFAOYSA-N 1 1 303.322 1.623 20 5 DDBDMO COCCCNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338383396 409949684 /nfs/dbraw/zinc/94/96/84/409949684.db2.gz RGMVDNZMULMPLJ-CYBMUJFWSA-N 1 1 323.393 1.610 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000357457932 410051409 /nfs/dbraw/zinc/05/14/09/410051409.db2.gz WSCRCDGBGZIOJR-MRXNPFEDSA-N 1 1 316.361 1.913 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000354791074 410087731 /nfs/dbraw/zinc/08/77/31/410087731.db2.gz NURQQYQTHUEEAE-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1(CCO)CCOCC1 ZINC000355009683 410237264 /nfs/dbraw/zinc/23/72/64/410237264.db2.gz HSUZVYARSVKLDF-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357776431 410241218 /nfs/dbraw/zinc/24/12/18/410241218.db2.gz VMGPUQCFVKOXRS-JTQLQIEISA-N 1 1 309.370 1.621 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[C@H]2CCCC[N@H+]2C)c1 ZINC000298505819 410263466 /nfs/dbraw/zinc/26/34/66/410263466.db2.gz KSAFKPCFOSDHRG-GFCCVEGCSA-N 1 1 323.349 1.418 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000346966864 410283081 /nfs/dbraw/zinc/28/30/81/410283081.db2.gz GWYOWFGTSMCFKD-UHFFFAOYSA-N 1 1 323.393 1.303 20 5 DDBDMO CCCC[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298709687 410360040 /nfs/dbraw/zinc/36/00/40/410360040.db2.gz YVYHSJZEQARVHC-ZDUSSCGKSA-N 1 1 312.366 1.429 20 5 DDBDMO NC(=O)CC[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339708510 410406649 /nfs/dbraw/zinc/40/66/49/410406649.db2.gz MLPXYUYANZHDBX-CYBMUJFWSA-N 1 1 321.377 1.951 20 5 DDBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000299121874 410532314 /nfs/dbraw/zinc/53/23/14/410532314.db2.gz VCXYSSMMDPPWCK-LBPRGKRZSA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000301664704 410767501 /nfs/dbraw/zinc/76/75/01/410767501.db2.gz WAVNFUIILLUCDN-GFCCVEGCSA-N 1 1 321.381 1.298 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000330579871 410793336 /nfs/dbraw/zinc/79/33/36/410793336.db2.gz IHOMCXCZHJJCMT-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330522658 410749773 /nfs/dbraw/zinc/74/97/73/410749773.db2.gz JTYHFMVQIVLIIA-RYUDHWBXSA-N 1 1 300.742 1.830 20 5 DDBDMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330522658 410749781 /nfs/dbraw/zinc/74/97/81/410749781.db2.gz JTYHFMVQIVLIIA-RYUDHWBXSA-N 1 1 300.742 1.830 20 5 DDBDMO CCc1nn(C)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000301928575 410834060 /nfs/dbraw/zinc/83/40/60/410834060.db2.gz ITWBEZSZLFXIID-AAEUAGOBSA-N 1 1 307.398 1.811 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330675935 410869173 /nfs/dbraw/zinc/86/91/73/410869173.db2.gz SVRUPTFWEWPPMD-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330675935 410869180 /nfs/dbraw/zinc/86/91/80/410869180.db2.gz SVRUPTFWEWPPMD-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000359783584 410876455 /nfs/dbraw/zinc/87/64/55/410876455.db2.gz HVAGPFLYJSXNGN-LLVKDONJSA-N 1 1 311.386 1.661 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1C ZINC000337781789 410996662 /nfs/dbraw/zinc/99/66/62/410996662.db2.gz BOXDZFAHKMVJDP-UHFFFAOYSA-N 1 1 317.349 1.962 20 5 DDBDMO NC(=O)c1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000341722585 411052689 /nfs/dbraw/zinc/05/26/89/411052689.db2.gz OLOKNUXTFQUVRJ-MNOVXSKESA-N 1 1 304.350 1.732 20 5 DDBDMO C[NH+](C)CCn1ccc(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]1 ZINC000344212749 411029296 /nfs/dbraw/zinc/02/92/96/411029296.db2.gz NLRPOKCUTGIRHW-UHFFFAOYSA-N 1 1 321.312 1.744 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000331229620 411031152 /nfs/dbraw/zinc/03/11/52/411031152.db2.gz ZQVZXPGNUWEFGC-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000132908876 196295174 /nfs/dbraw/zinc/29/51/74/196295174.db2.gz OGHXAYDOJRRBKF-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000132908876 196295176 /nfs/dbraw/zinc/29/51/76/196295176.db2.gz OGHXAYDOJRRBKF-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419338961 226124319 /nfs/dbraw/zinc/12/43/19/226124319.db2.gz ZPGZCUBKBBVYRX-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000360416683 418429176 /nfs/dbraw/zinc/42/91/76/418429176.db2.gz LEUPJUBUZCQEKH-UHFFFAOYSA-N 1 1 300.318 1.691 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCC[NH+]1CCN(C)CC1 ZINC000360902997 418543689 /nfs/dbraw/zinc/54/36/89/418543689.db2.gz ANPKSZIDFPIOIX-UHFFFAOYSA-N 1 1 324.429 1.193 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000360993553 418561538 /nfs/dbraw/zinc/56/15/38/418561538.db2.gz CEEMJMYTMUQVEA-CYBMUJFWSA-N 1 1 321.377 1.690 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000361006284 418563986 /nfs/dbraw/zinc/56/39/86/418563986.db2.gz CHBKAXGVKDLERS-GHMZBOCLSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000191578119 222105352 /nfs/dbraw/zinc/10/53/52/222105352.db2.gz XGVUUMKLQRWSDV-LLVKDONJSA-N 1 1 307.354 1.122 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000191578119 222105353 /nfs/dbraw/zinc/10/53/53/222105353.db2.gz XGVUUMKLQRWSDV-LLVKDONJSA-N 1 1 307.354 1.122 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000367563093 418610802 /nfs/dbraw/zinc/61/08/02/418610802.db2.gz KEGFLVVEXWMUCH-LLVKDONJSA-N 1 1 321.381 1.417 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000361420460 418649724 /nfs/dbraw/zinc/64/97/24/418649724.db2.gz NORSSFFMCPMNDR-ZDUSSCGKSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000361420460 418649727 /nfs/dbraw/zinc/64/97/27/418649727.db2.gz NORSSFFMCPMNDR-ZDUSSCGKSA-N 1 1 307.350 1.687 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796404 418636088 /nfs/dbraw/zinc/63/60/88/418636088.db2.gz RIMFLMHQOWPCCW-HZMBPMFUSA-N 1 1 308.338 1.103 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361575436 418682592 /nfs/dbraw/zinc/68/25/92/418682592.db2.gz COHIBDCSPLAOBZ-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361575436 418682594 /nfs/dbraw/zinc/68/25/94/418682594.db2.gz COHIBDCSPLAOBZ-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362052227 418744959 /nfs/dbraw/zinc/74/49/59/418744959.db2.gz DKEPZBCAXYRCFU-GRYCIOLGSA-N 1 1 307.350 1.482 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000371544174 418799475 /nfs/dbraw/zinc/79/94/75/418799475.db2.gz DPLVYQAWWQXUDN-ZFWWWQNUSA-N 1 1 303.362 1.690 20 5 DDBDMO C[C@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000411476556 418908180 /nfs/dbraw/zinc/90/81/80/418908180.db2.gz BXFANZRKSKCEJC-RYUDHWBXSA-N 1 1 307.350 1.541 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930533 419361160 /nfs/dbraw/zinc/36/11/60/419361160.db2.gz CKRPACNPDIIOSE-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930533 419361163 /nfs/dbraw/zinc/36/11/63/419361163.db2.gz CKRPACNPDIIOSE-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3CCO)n2)c1 ZINC000426200169 419401146 /nfs/dbraw/zinc/40/11/46/419401146.db2.gz VZTAEKORWPZOBX-GFCCVEGCSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000426208546 419404930 /nfs/dbraw/zinc/40/49/30/419404930.db2.gz DCHAZUAHTWZTGM-NUEKZKHPSA-N 1 1 324.377 1.570 20 5 DDBDMO CNC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000420983403 419411409 /nfs/dbraw/zinc/41/14/09/419411409.db2.gz ZJKYAIIYGUOWRL-VIFPVBQESA-N 1 1 311.313 1.310 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000420983403 419411418 /nfs/dbraw/zinc/41/14/18/419411418.db2.gz ZJKYAIIYGUOWRL-VIFPVBQESA-N 1 1 311.313 1.310 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[N@H+]1C ZINC000421003172 419442019 /nfs/dbraw/zinc/44/20/19/419442019.db2.gz MWACXAADCICEON-CQSZACIVSA-N 1 1 321.377 1.987 20 5 DDBDMO CC[N@H+](Cc1occc1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412024956 419566834 /nfs/dbraw/zinc/56/68/34/419566834.db2.gz GUWXLXFFMFKWEU-ZDUSSCGKSA-N 1 1 308.338 1.576 20 5 DDBDMO C[C@@H](O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103857 419662599 /nfs/dbraw/zinc/66/25/99/419662599.db2.gz ZKUCPNWBEXUSAX-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103857 419662607 /nfs/dbraw/zinc/66/26/07/419662607.db2.gz ZKUCPNWBEXUSAX-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704626 419685961 /nfs/dbraw/zinc/68/59/61/419685961.db2.gz PHLOZSZMLBFASN-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421866782 419750631 /nfs/dbraw/zinc/75/06/31/419750631.db2.gz OHYNEDHQJUIZLZ-UHFFFAOYSA-N 1 1 309.366 1.256 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)n1 ZINC000418994792 420040962 /nfs/dbraw/zinc/04/09/62/420040962.db2.gz IEJFYMGDEXZMRF-CHWSQXEVSA-N 1 1 308.382 1.498 20 5 DDBDMO [NH3+]Cc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000430505814 420124757 /nfs/dbraw/zinc/12/47/57/420124757.db2.gz SJECAUZPTOEBGJ-UHFFFAOYSA-N 1 1 318.358 1.709 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC000423982722 420289291 /nfs/dbraw/zinc/28/92/91/420289291.db2.gz JYXUIJJXOBJBCT-YMTOWFKASA-N 1 1 309.370 1.327 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000457003922 420585993 /nfs/dbraw/zinc/58/59/93/420585993.db2.gz XQWBSIAZQZOJSO-ZDUSSCGKSA-N 1 1 314.345 1.720 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000443966225 420753999 /nfs/dbraw/zinc/75/39/99/420753999.db2.gz SMQZZPDZDTUZHF-UHFFFAOYSA-N 1 1 318.381 2.171 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000455669591 421051379 /nfs/dbraw/zinc/05/13/79/421051379.db2.gz VFJDORFYKOKZIO-UHFFFAOYSA-N 1 1 309.370 1.493 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000456006772 421088849 /nfs/dbraw/zinc/08/88/49/421088849.db2.gz CCMFUHDDPZHRBU-QWRGUYRKSA-N 1 1 321.381 1.586 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000449699582 421063168 /nfs/dbraw/zinc/06/31/68/421063168.db2.gz QJMYPRMEUDLMQI-MRXNPFEDSA-N 1 1 324.377 1.824 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000449699582 421063170 /nfs/dbraw/zinc/06/31/70/421063170.db2.gz QJMYPRMEUDLMQI-MRXNPFEDSA-N 1 1 324.377 1.824 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549370669 421500121 /nfs/dbraw/zinc/50/01/21/421500121.db2.gz ZYFYAQRZTCAJNI-GFCCVEGCSA-N 1 1 321.381 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC[N@H+](C4CC4)C3)c21 ZINC000566530357 421606761 /nfs/dbraw/zinc/60/67/61/421606761.db2.gz PRMPWZMAXKUPMJ-LLVKDONJSA-N 1 1 313.361 2.434 20 5 DDBDMO C[C@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530623648 421610290 /nfs/dbraw/zinc/61/02/90/421610290.db2.gz WXFSGVUURYPOLB-ZDUSSCGKSA-N 1 1 304.350 1.674 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000530623645 421610732 /nfs/dbraw/zinc/61/07/32/421610732.db2.gz WXFSGVUURYPOLB-CYBMUJFWSA-N 1 1 304.350 1.674 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757794 421665743 /nfs/dbraw/zinc/66/57/43/421665743.db2.gz IPIDADDNTKXNEM-QWRGUYRKSA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757794 421665746 /nfs/dbraw/zinc/66/57/46/421665746.db2.gz IPIDADDNTKXNEM-QWRGUYRKSA-N 1 1 313.379 1.279 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nccs2)c1 ZINC000519772395 421726131 /nfs/dbraw/zinc/72/61/31/421726131.db2.gz UFCKSCBCZFRQSR-LLVKDONJSA-N 1 1 309.347 1.581 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](C2CC2)C1 ZINC000581232821 421926851 /nfs/dbraw/zinc/92/68/51/421926851.db2.gz RTOWWDVZVMSBLY-LLVKDONJSA-N 1 1 306.366 1.490 20 5 DDBDMO Cc1cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000582041264 422094921 /nfs/dbraw/zinc/09/49/21/422094921.db2.gz JJKDHJSNCDGDHR-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO Nc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc1[N+](=O)[O-] ZINC000596569634 422380793 /nfs/dbraw/zinc/38/07/93/422380793.db2.gz ALUCPJIEJRPVRY-LBPRGKRZSA-N 1 1 305.382 2.106 20 5 DDBDMO CCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598038607 422393362 /nfs/dbraw/zinc/39/33/62/422393362.db2.gz FCMPLJQRGHXUOY-NSHDSACASA-N 1 1 321.381 1.588 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000578765183 422643571 /nfs/dbraw/zinc/64/35/71/422643571.db2.gz LFHJZLNFMFEOMD-AWEZNQCLSA-N 1 1 314.345 1.641 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000344617089 272071106 /nfs/dbraw/zinc/07/11/06/272071106.db2.gz QDNTVTJHJKHVBL-NSHDSACASA-N 1 1 309.370 1.028 20 5 DDBDMO CCOc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000345044511 272162134 /nfs/dbraw/zinc/16/21/34/272162134.db2.gz QCRSMDNZSQHBJY-ZDUSSCGKSA-N 1 1 323.393 1.886 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452121879 274348340 /nfs/dbraw/zinc/34/83/40/274348340.db2.gz GZWMJFQRBIJJHY-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354005081 298337137 /nfs/dbraw/zinc/33/71/37/298337137.db2.gz DWZGMRVZFRCVOQ-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000354205240 298363219 /nfs/dbraw/zinc/36/32/19/298363219.db2.gz QVVHZJYVJUNCGR-VHSXEESVSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000354205240 298363221 /nfs/dbraw/zinc/36/32/21/298363221.db2.gz QVVHZJYVJUNCGR-VHSXEESVSA-N 1 1 321.333 1.992 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000362718760 300122386 /nfs/dbraw/zinc/12/23/86/300122386.db2.gz AZIPGFODBMBENO-GJZGRUSLSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000362718760 300122387 /nfs/dbraw/zinc/12/23/87/300122387.db2.gz AZIPGFODBMBENO-GJZGRUSLSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368009102 300932333 /nfs/dbraw/zinc/93/23/33/300932333.db2.gz WDSTZLRHOUCQPD-SNVBAGLBSA-N 1 1 303.240 1.413 20 5 DDBDMO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973691 301114942 /nfs/dbraw/zinc/11/49/42/301114942.db2.gz KZIZBVIZJKFZQW-GZBFAFLISA-N 1 1 303.362 1.989 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973691 301114944 /nfs/dbraw/zinc/11/49/44/301114944.db2.gz KZIZBVIZJKFZQW-GZBFAFLISA-N 1 1 303.362 1.989 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000369136219 301135646 /nfs/dbraw/zinc/13/56/46/301135646.db2.gz ARLBGOKATIXBSH-JTQLQIEISA-N 1 1 321.381 1.627 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)C1 ZINC000369212340 301146313 /nfs/dbraw/zinc/14/63/13/301146313.db2.gz DBYCYRXNNFDKPX-AWEZNQCLSA-N 1 1 319.409 1.393 20 5 DDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000378310170 302310348 /nfs/dbraw/zinc/31/03/48/302310348.db2.gz UHKFMKLURDJEOO-NWDGAFQWSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000378310170 302310351 /nfs/dbraw/zinc/31/03/51/302310351.db2.gz UHKFMKLURDJEOO-NWDGAFQWSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000378310170 302310352 /nfs/dbraw/zinc/31/03/52/302310352.db2.gz UHKFMKLURDJEOO-NWDGAFQWSA-N 1 1 315.333 1.146 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000362080131 307013159 /nfs/dbraw/zinc/01/31/59/307013159.db2.gz JVAFAVVYXFCJES-LBPRGKRZSA-N 1 1 306.366 1.917 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000365013373 307056345 /nfs/dbraw/zinc/05/63/45/307056345.db2.gz NZVDPNIZVYMFMR-CYBMUJFWSA-N 1 1 308.382 1.967 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000366316043 307070496 /nfs/dbraw/zinc/07/04/96/307070496.db2.gz TXZBQYXNATVWHL-MNOVXSKESA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000366316043 307070497 /nfs/dbraw/zinc/07/04/97/307070497.db2.gz TXZBQYXNATVWHL-MNOVXSKESA-N 1 1 323.736 1.343 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000367413793 307092678 /nfs/dbraw/zinc/09/26/78/307092678.db2.gz WHPMIYMUABUIBG-CVEARBPZSA-N 1 1 321.377 1.035 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000371659987 307155614 /nfs/dbraw/zinc/15/56/14/307155614.db2.gz KIQXWXCHRLSYGX-RZFFKMDDSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371659987 307155615 /nfs/dbraw/zinc/15/56/15/307155615.db2.gz KIQXWXCHRLSYGX-RZFFKMDDSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000371659987 307155616 /nfs/dbraw/zinc/15/56/16/307155616.db2.gz KIQXWXCHRLSYGX-RZFFKMDDSA-N 1 1 318.377 1.073 20 5 DDBDMO C[C@@H]1COCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327765 307205916 /nfs/dbraw/zinc/20/59/16/307205916.db2.gz IORIEYDAQSQEDX-SWLSCSKDSA-N 1 1 319.361 1.668 20 5 DDBDMO C[C@@H]1COCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327765 307205917 /nfs/dbraw/zinc/20/59/17/307205917.db2.gz IORIEYDAQSQEDX-SWLSCSKDSA-N 1 1 319.361 1.668 20 5 DDBDMO O=C1NCC[C@H]1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000575192654 308273323 /nfs/dbraw/zinc/27/33/23/308273323.db2.gz JMIKJCRHCFVURF-RYUDHWBXSA-N 1 1 319.365 1.002 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ncccc1F ZINC000583079960 337236752 /nfs/dbraw/zinc/23/67/52/337236752.db2.gz SMQYPEGWUZEKEU-LLVKDONJSA-N 1 1 321.308 1.658 20 5 DDBDMO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC1[N+](=O)[O-] ZINC000374894933 483943951 /nfs/dbraw/zinc/94/39/51/483943951.db2.gz OEBYETRWWZLCHN-XJFOESAGSA-N 1 1 307.325 1.053 20 5 DDBDMO CC(C)OC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796297 484239236 /nfs/dbraw/zinc/23/92/36/484239236.db2.gz OTSKTBCHCUMZAA-GXTWGEPZSA-N 1 1 324.381 1.262 20 5 DDBDMO NC(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000226231236 490701443 /nfs/dbraw/zinc/70/14/43/490701443.db2.gz GTPNKGCMKWAVGW-UHFFFAOYSA-N 1 1 310.379 1.154 20 5 DDBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](C2CC2)C1 ZINC000296803084 533943509 /nfs/dbraw/zinc/94/35/09/533943509.db2.gz UJYZUUNVNROAIO-ZDUSSCGKSA-N 1 1 320.393 1.173 20 5 DDBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157855424 519895979 /nfs/dbraw/zinc/89/59/79/519895979.db2.gz URGHYPCOUJIGRW-LBPRGKRZSA-N 1 1 309.370 1.030 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295916191 534704472 /nfs/dbraw/zinc/70/44/72/534704472.db2.gz CQVFZMVNUGKNOT-AWEZNQCLSA-N 1 1 321.377 1.100 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000414564655 527501739 /nfs/dbraw/zinc/50/17/39/527501739.db2.gz XVSSKKCMRHFVMZ-SOKLDJIMSA-N 1 1 306.362 1.673 20 5 DDBDMO CCC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294877903 528244443 /nfs/dbraw/zinc/24/44/43/528244443.db2.gz FROOQDVURRMWHN-HNNXBMFYSA-N 1 1 321.377 1.514 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302456822 528311348 /nfs/dbraw/zinc/31/13/48/528311348.db2.gz QPDDJNDBRQPHQA-STQMWFEESA-N 1 1 323.393 1.885 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735856149 598298644 /nfs/dbraw/zinc/29/86/44/598298644.db2.gz FMMFDZNRFPLYAI-UHFFFAOYSA-N 1 1 305.342 1.527 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000154904801 696939100 /nfs/dbraw/zinc/93/91/00/696939100.db2.gz YQWCEPUHQQHXRJ-CYBMUJFWSA-N 1 1 319.369 1.369 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000154904801 696939101 /nfs/dbraw/zinc/93/91/01/696939101.db2.gz YQWCEPUHQQHXRJ-CYBMUJFWSA-N 1 1 319.369 1.369 20 5 DDBDMO Cc1noc(C)c1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159741020 697312245 /nfs/dbraw/zinc/31/22/45/697312245.db2.gz IKAWTQSVTTUQEO-UHFFFAOYSA-N 1 1 306.322 1.493 20 5 DDBDMO Cc1noc(C)c1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159741020 697312247 /nfs/dbraw/zinc/31/22/47/697312247.db2.gz IKAWTQSVTTUQEO-UHFFFAOYSA-N 1 1 306.322 1.493 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582169 698121138 /nfs/dbraw/zinc/12/11/38/698121138.db2.gz RVCURFPACBJKPP-UONOGXRCSA-N 1 1 307.350 1.358 20 5 DDBDMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583016 698121731 /nfs/dbraw/zinc/12/17/31/698121731.db2.gz YNVFMJQMUPIYEW-IUODEOHRSA-N 1 1 321.377 1.606 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000776591750 698123519 /nfs/dbraw/zinc/12/35/19/698123519.db2.gz WMRATURRMVCFQH-IJEWVQPXSA-N 1 1 306.362 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](n4cncn4)C3)c2c1 ZINC000776778469 698139121 /nfs/dbraw/zinc/13/91/21/698139121.db2.gz UUCIZJMBQGTZFD-ZDUSSCGKSA-N 1 1 313.321 1.441 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](n4cncn4)C3)c2c1 ZINC000776778469 698139125 /nfs/dbraw/zinc/13/91/25/698139125.db2.gz UUCIZJMBQGTZFD-ZDUSSCGKSA-N 1 1 313.321 1.441 20 5 DDBDMO CC1(C)CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000780630932 698540404 /nfs/dbraw/zinc/54/04/04/698540404.db2.gz XEIZKJGCMOZRER-UHFFFAOYSA-N 1 1 319.365 1.135 20 5 DDBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725827393 699335544 /nfs/dbraw/zinc/33/55/44/699335544.db2.gz SOECFYCHSPBRRT-SECBINFHSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000725827393 699335548 /nfs/dbraw/zinc/33/55/48/699335548.db2.gz SOECFYCHSPBRRT-SECBINFHSA-N 1 1 319.770 1.231 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575371 699939841 /nfs/dbraw/zinc/93/98/41/699939841.db2.gz OILNKEAFOLEXGZ-NILFDRSVSA-N 1 1 310.350 1.100 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287773 700854620 /nfs/dbraw/zinc/85/46/20/700854620.db2.gz DZHJGXANIJJJND-NSHDSACASA-N 1 1 318.333 1.705 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000761287773 700854622 /nfs/dbraw/zinc/85/46/22/700854622.db2.gz DZHJGXANIJJJND-NSHDSACASA-N 1 1 318.333 1.705 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000762816617 700908219 /nfs/dbraw/zinc/90/82/19/700908219.db2.gz RUNVJAVKSHJRHW-ZDUSSCGKSA-N 1 1 308.363 1.683 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000767430303 701106335 /nfs/dbraw/zinc/10/63/35/701106335.db2.gz QSLHBVRFYPMORQ-GFCCVEGCSA-N 1 1 304.350 1.845 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCC[NH+]1CCOCC1 ZINC000804318068 701178109 /nfs/dbraw/zinc/17/81/09/701178109.db2.gz XXSWWJVQWCYIPI-UHFFFAOYSA-N 1 1 310.310 1.637 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804396400 701186037 /nfs/dbraw/zinc/18/60/37/701186037.db2.gz HFJVLQHZTHVVKU-WDEREUQCSA-N 1 1 322.321 1.778 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000839689176 701784304 /nfs/dbraw/zinc/78/43/04/701784304.db2.gz LEFMFKBVTJFPDQ-FMCLSXCISA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000839689176 701784309 /nfs/dbraw/zinc/78/43/09/701784309.db2.gz LEFMFKBVTJFPDQ-FMCLSXCISA-N 1 1 323.418 1.912 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000839689176 701784314 /nfs/dbraw/zinc/78/43/14/701784314.db2.gz LEFMFKBVTJFPDQ-FMCLSXCISA-N 1 1 323.418 1.912 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000879262751 706633420 /nfs/dbraw/zinc/63/34/20/706633420.db2.gz ZIIGSPRBXDKZJZ-SOUVJXGZSA-N 1 1 310.350 1.100 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000866206842 706648686 /nfs/dbraw/zinc/64/86/86/706648686.db2.gz GDWRGYANPJTHCS-ZYHUDNBSSA-N 1 1 304.350 1.224 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868927126 702389770 /nfs/dbraw/zinc/38/97/70/702389770.db2.gz HZAALTVMUHVOFI-LBPRGKRZSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843362908 702866800 /nfs/dbraw/zinc/86/68/00/702866800.db2.gz UNHAUDYIRSHNQE-QWRGUYRKSA-N 1 1 324.356 1.732 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540343 706724610 /nfs/dbraw/zinc/72/46/10/706724610.db2.gz LYAKAWKTDUMUGS-QMTHXVAHSA-N 1 1 321.352 1.875 20 5 DDBDMO Cc1nn(CCC(=O)OCC[C@@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000847826197 703473322 /nfs/dbraw/zinc/47/33/22/703473322.db2.gz CBIKQEHPEWPSJU-ZDUSSCGKSA-N 1 1 324.381 1.683 20 5 DDBDMO Nc1ccc2c(c1)OCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000866690182 706766248 /nfs/dbraw/zinc/76/62/48/706766248.db2.gz VGLTZFUPGZPPPV-UHFFFAOYSA-N 1 1 303.322 1.268 20 5 DDBDMO Nc1ccc2c(c1)OCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000866690182 706766249 /nfs/dbraw/zinc/76/62/49/706766249.db2.gz VGLTZFUPGZPPPV-UHFFFAOYSA-N 1 1 303.322 1.268 20 5 DDBDMO Cc1noc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1[N+](=O)[O-] ZINC000851717395 703836188 /nfs/dbraw/zinc/83/61/88/703836188.db2.gz RQRKJCKCADOUHU-UHFFFAOYSA-N 1 1 324.381 1.875 20 5 DDBDMO CC1(C)OC[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851843154 703868649 /nfs/dbraw/zinc/86/86/49/703868649.db2.gz ATWWYMWDOLCOQL-AAEUAGOBSA-N 1 1 322.365 1.628 20 5 DDBDMO O=C1N[C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000852010056 703903488 /nfs/dbraw/zinc/90/34/88/703903488.db2.gz WAPSSWLTCRMIGG-PWSUYJOCSA-N 1 1 309.297 1.664 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]2CO1 ZINC000852010056 703903489 /nfs/dbraw/zinc/90/34/89/703903489.db2.gz WAPSSWLTCRMIGG-PWSUYJOCSA-N 1 1 309.297 1.664 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852298427 704001384 /nfs/dbraw/zinc/00/13/84/704001384.db2.gz ZTBKXOMUWWTWNK-OAHLLOKOSA-N 1 1 317.345 1.498 20 5 DDBDMO COc1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1[N+](=O)[O-] ZINC000852299867 704001987 /nfs/dbraw/zinc/00/19/87/704001987.db2.gz FZJCPHIZPHQTSX-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO COc1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1[N+](=O)[O-] ZINC000852299867 704001990 /nfs/dbraw/zinc/00/19/90/704001990.db2.gz FZJCPHIZPHQTSX-UHFFFAOYSA-N 1 1 317.345 1.973 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701692 704102789 /nfs/dbraw/zinc/10/27/89/704102789.db2.gz DXFSUVZJJPASQZ-HZMBPMFUSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000852701692 704102792 /nfs/dbraw/zinc/10/27/92/704102792.db2.gz DXFSUVZJJPASQZ-HZMBPMFUSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000870874766 704153816 /nfs/dbraw/zinc/15/38/16/704153816.db2.gz SVEZAZNRDGFISM-AWEZNQCLSA-N 1 1 309.391 1.734 20 5 DDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCOC1 ZINC000853515397 704256436 /nfs/dbraw/zinc/25/64/36/704256436.db2.gz NQBLZVRCTNZFPY-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCOC1 ZINC000853515397 704256439 /nfs/dbraw/zinc/25/64/39/704256439.db2.gz NQBLZVRCTNZFPY-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000859821229 705013446 /nfs/dbraw/zinc/01/34/46/705013446.db2.gz IUNKDTBXAUXSEI-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000859821229 705013452 /nfs/dbraw/zinc/01/34/52/705013452.db2.gz IUNKDTBXAUXSEI-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000874708254 705141572 /nfs/dbraw/zinc/14/15/72/705141572.db2.gz KWCWURYCXMNOFC-LBPRGKRZSA-N 1 1 301.387 1.049 20 5 DDBDMO CC[C@H]1COCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000874708254 705141575 /nfs/dbraw/zinc/14/15/75/705141575.db2.gz KWCWURYCXMNOFC-LBPRGKRZSA-N 1 1 301.387 1.049 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823152738 705154089 /nfs/dbraw/zinc/15/40/89/705154089.db2.gz XDLHWFIIRJJQQB-LBPRGKRZSA-N 1 1 301.387 1.049 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000874828750 705187483 /nfs/dbraw/zinc/18/74/83/705187483.db2.gz HTYIKJFPUPURPI-OLZOCXBDSA-N 1 1 322.340 1.625 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836391 705193888 /nfs/dbraw/zinc/19/38/88/705193888.db2.gz CCQQCIVJAKQEKN-RYUDHWBXSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874836391 705193890 /nfs/dbraw/zinc/19/38/90/705193890.db2.gz CCQQCIVJAKQEKN-RYUDHWBXSA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874836391 705193894 /nfs/dbraw/zinc/19/38/94/705193894.db2.gz CCQQCIVJAKQEKN-RYUDHWBXSA-N 1 1 321.381 1.579 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000825648458 705708989 /nfs/dbraw/zinc/70/89/89/705708989.db2.gz SEXVJLHSIGNKOA-AWEZNQCLSA-N 1 1 307.350 1.240 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000825648458 705708993 /nfs/dbraw/zinc/70/89/93/705708993.db2.gz SEXVJLHSIGNKOA-AWEZNQCLSA-N 1 1 307.350 1.240 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])CC[C@@H]21 ZINC000827234541 705957457 /nfs/dbraw/zinc/95/74/57/705957457.db2.gz YIUJSOWODZCCQP-OCCSQVGLSA-N 1 1 321.352 1.829 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827290328 705969620 /nfs/dbraw/zinc/96/96/20/705969620.db2.gz SWEQCZYCCNCYMZ-JQWIXIFHSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000863900626 706032836 /nfs/dbraw/zinc/03/28/36/706032836.db2.gz BJSUHJGLLKNUKO-UHFFFAOYSA-N 1 1 303.362 1.964 20 5 DDBDMO CC(=O)c1c(NC[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881907148 707418694 /nfs/dbraw/zinc/41/86/94/707418694.db2.gz DBLMNXNKEKMFTF-GFCCVEGCSA-N 1 1 320.393 1.845 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449526 706334918 /nfs/dbraw/zinc/33/49/18/706334918.db2.gz CEDNZBPSZOMRCU-QLFBSQMISA-N 1 1 303.362 1.909 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829455184 706336574 /nfs/dbraw/zinc/33/65/74/706336574.db2.gz LCKGZXLVLWIIND-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO CC(C)[C@H](O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000878251192 706338851 /nfs/dbraw/zinc/33/88/51/706338851.db2.gz HPDSOKAPRYAFNY-GXTWGEPZSA-N 1 1 308.382 1.883 20 5 DDBDMO C[C@@H](CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000865142269 706362095 /nfs/dbraw/zinc/36/20/95/706362095.db2.gz CFFKXGGMNIFBOU-JTQLQIEISA-N 1 1 309.341 1.875 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](C(F)(F)F)CC2)n1 ZINC000880047597 706863286 /nfs/dbraw/zinc/86/32/86/706863286.db2.gz VFVRUGYUDHFUTL-VIFPVBQESA-N 1 1 308.260 1.445 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](C(F)(F)F)CC2)n1 ZINC000880047597 706863289 /nfs/dbraw/zinc/86/32/89/706863289.db2.gz VFVRUGYUDHFUTL-VIFPVBQESA-N 1 1 308.260 1.445 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000880148203 706892744 /nfs/dbraw/zinc/89/27/44/706892744.db2.gz SYCXPVRGVVWPLU-STQMWFEESA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036703 707284445 /nfs/dbraw/zinc/28/44/45/707284445.db2.gz VKXWGKMFSIKDOI-NWDGAFQWSA-N 1 1 310.373 1.630 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000836948428 707553145 /nfs/dbraw/zinc/55/31/45/707553145.db2.gz RFZWPUMJJBDNNX-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882503866 707670262 /nfs/dbraw/zinc/67/02/62/707670262.db2.gz XXBPVFVCRYJUMX-UHFFFAOYSA-N 1 1 307.354 1.327 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000882515764 707676446 /nfs/dbraw/zinc/67/64/46/707676446.db2.gz LBDFPLIVMLETNU-PHIMTYICSA-N 1 1 312.345 1.674 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000882515764 707676448 /nfs/dbraw/zinc/67/64/48/707676448.db2.gz LBDFPLIVMLETNU-PHIMTYICSA-N 1 1 312.345 1.674 20 5 DDBDMO C[N@@H+](CCNc1c(Cl)cccc1[N+](=O)[O-])CCOCCO ZINC000882952289 707868678 /nfs/dbraw/zinc/86/86/78/707868678.db2.gz PIHIVJXXDYDKEJ-UHFFFAOYSA-N 1 1 317.773 1.601 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959938 707873370 /nfs/dbraw/zinc/87/33/70/707873370.db2.gz UNGAMZIXRLKQSB-SNVBAGLBSA-N 1 1 308.338 1.591 20 5 DDBDMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839461964 708049468 /nfs/dbraw/zinc/04/94/68/708049468.db2.gz AFTAHLQBBVQCNW-IJLUTSLNSA-N 1 1 309.391 1.666 20 5 DDBDMO CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C)CC1 ZINC000897099373 708229844 /nfs/dbraw/zinc/22/98/44/708229844.db2.gz YXTODQIODJTRTB-UHFFFAOYSA-N 1 1 312.801 1.932 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000897397983 708315189 /nfs/dbraw/zinc/31/51/89/708315189.db2.gz PENAQBOCEMSDCF-HNNXBMFYSA-N 1 1 307.350 1.008 20 5 DDBDMO C[C@@](O)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC000885954222 708670528 /nfs/dbraw/zinc/67/05/28/708670528.db2.gz RCOODJSXZFYZBG-CQSZACIVSA-N 1 1 315.320 1.733 20 5 DDBDMO C[C@](O)(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(F)F ZINC000885954221 708670622 /nfs/dbraw/zinc/67/06/22/708670622.db2.gz RCOODJSXZFYZBG-AWEZNQCLSA-N 1 1 315.320 1.733 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000886192018 708711826 /nfs/dbraw/zinc/71/18/26/708711826.db2.gz DIAAXUMHCBEPEN-CQSZACIVSA-N 1 1 320.393 1.534 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000886192018 708711827 /nfs/dbraw/zinc/71/18/27/708711827.db2.gz DIAAXUMHCBEPEN-CQSZACIVSA-N 1 1 320.393 1.534 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886553844 708776859 /nfs/dbraw/zinc/77/68/59/708776859.db2.gz WQCPYQCMYSXJAN-SCRDCRAPSA-N 1 1 324.402 1.629 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900159758 709311152 /nfs/dbraw/zinc/31/11/52/709311152.db2.gz PVFIATGNZBNBEY-WFASDCNBSA-N 1 1 307.350 1.008 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000910280396 709862258 /nfs/dbraw/zinc/86/22/58/709862258.db2.gz QYAJVGDLARNIFZ-SNVBAGLBSA-N 1 1 324.356 1.872 20 5 DDBDMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928249878 713157445 /nfs/dbraw/zinc/15/74/45/713157445.db2.gz URTNCHNZWJOFDW-LBPRGKRZSA-N 1 1 306.366 1.019 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000892621087 710471266 /nfs/dbraw/zinc/47/12/66/710471266.db2.gz GQGDETGODLIWQW-LLVKDONJSA-N 1 1 310.354 1.379 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928446195 713200223 /nfs/dbraw/zinc/20/02/23/713200223.db2.gz VCVPHJQOJPNRSR-TVQRCGJNSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000928453738 713204154 /nfs/dbraw/zinc/20/41/54/713204154.db2.gz PVXJLFAKZKTQIB-KOLCDFICSA-N 1 1 321.333 1.188 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912030201 711133293 /nfs/dbraw/zinc/13/32/93/711133293.db2.gz AYMIKHFBKSBJJM-CYBMUJFWSA-N 1 1 308.382 1.736 20 5 DDBDMO C[N@@H+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894881985 711307061 /nfs/dbraw/zinc/30/70/61/711307061.db2.gz QCRFMVXEHAZYFD-NSHDSACASA-N 1 1 320.324 1.395 20 5 DDBDMO C[N@H+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])C[C@H]1CO ZINC000894881985 711307065 /nfs/dbraw/zinc/30/70/65/711307065.db2.gz QCRFMVXEHAZYFD-NSHDSACASA-N 1 1 320.324 1.395 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC000895455595 711516412 /nfs/dbraw/zinc/51/64/12/711516412.db2.gz CFMMLIRKVBKSCM-BMIGLBTASA-N 1 1 310.350 1.759 20 5 DDBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCC[N+](=O)[O-] ZINC000905290590 711994440 /nfs/dbraw/zinc/99/44/40/711994440.db2.gz KMYDQPZXMZQUOZ-HZPDHXFCSA-N 1 1 307.394 1.390 20 5 DDBDMO C[N@@H+](Cc1cn(CCn2cc([N+](=O)[O-])cn2)nn1)C(C)(C)C ZINC000905802375 712149427 /nfs/dbraw/zinc/14/94/27/712149427.db2.gz XENOKUVBFLHPIN-UHFFFAOYSA-N 1 1 307.358 1.313 20 5 DDBDMO CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000929115484 713549631 /nfs/dbraw/zinc/54/96/31/713549631.db2.gz HZRWZINWYAGOPZ-UHFFFAOYSA-N 1 1 321.381 1.306 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000930093814 713754766 /nfs/dbraw/zinc/75/47/66/713754766.db2.gz FSKIAVWRHXKTMN-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000930875223 713947643 /nfs/dbraw/zinc/94/76/43/713947643.db2.gz LMBKRLRZBVXPQV-GFCCVEGCSA-N 1 1 321.381 1.667 20 5 DDBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000930901430 713953419 /nfs/dbraw/zinc/95/34/19/713953419.db2.gz MKXYHJSWWFUEQY-JTQLQIEISA-N 1 1 316.155 1.574 20 5 DDBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000930901430 713953421 /nfs/dbraw/zinc/95/34/21/713953421.db2.gz MKXYHJSWWFUEQY-JTQLQIEISA-N 1 1 316.155 1.574 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932455630 714336475 /nfs/dbraw/zinc/33/64/75/714336475.db2.gz MGTPULJXCJEJCM-HNNXBMFYSA-N 1 1 321.377 1.963 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932649079 714375843 /nfs/dbraw/zinc/37/58/43/714375843.db2.gz PGYAFGDKHYMZSK-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932649079 714375845 /nfs/dbraw/zinc/37/58/45/714375845.db2.gz PGYAFGDKHYMZSK-LLVKDONJSA-N 1 1 308.334 1.988 20 5 DDBDMO CC(C)(C)[C@@H]1CNC(=O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933825196 714676664 /nfs/dbraw/zinc/67/66/64/714676664.db2.gz CSFVQFQVUIULKZ-AWEZNQCLSA-N 1 1 305.378 1.984 20 5 DDBDMO CC(C)(C)[C@@H]1CNC(=O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933825196 714676667 /nfs/dbraw/zinc/67/66/67/714676667.db2.gz CSFVQFQVUIULKZ-AWEZNQCLSA-N 1 1 305.378 1.984 20 5 DDBDMO CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933997054 714718584 /nfs/dbraw/zinc/71/85/84/714718584.db2.gz SDXGVYWMRFKRNR-UHFFFAOYSA-N 1 1 322.409 1.153 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925410421 714846943 /nfs/dbraw/zinc/84/69/43/714846943.db2.gz RNDCEQFXXKGJLE-HNNXBMFYSA-N 1 1 318.377 1.973 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000351508207 719249909 /nfs/dbraw/zinc/24/99/09/719249909.db2.gz GKEJBALPRLSIPC-GHMZBOCLSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000351508207 719249911 /nfs/dbraw/zinc/24/99/11/719249911.db2.gz GKEJBALPRLSIPC-GHMZBOCLSA-N 1 1 322.365 1.695 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164631980 719255843 /nfs/dbraw/zinc/25/58/43/719255843.db2.gz GSTXIWXRZISQES-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164631980 719255845 /nfs/dbraw/zinc/25/58/45/719255845.db2.gz GSTXIWXRZISQES-UWVGGRQHSA-N 1 1 308.338 1.305 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001164667332 719389424 /nfs/dbraw/zinc/38/94/24/719389424.db2.gz NVBGKOPMJYIDNC-ZIAGYGMSSA-N 1 1 315.333 1.057 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001120873810 782202076 /nfs/dbraw/zinc/20/20/76/782202076.db2.gz GYEXGHRHKQUKQF-LRDDRELGSA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001120873810 782202079 /nfs/dbraw/zinc/20/20/79/782202079.db2.gz GYEXGHRHKQUKQF-LRDDRELGSA-N 1 1 322.409 1.787 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001120873810 782202083 /nfs/dbraw/zinc/20/20/83/782202083.db2.gz GYEXGHRHKQUKQF-LRDDRELGSA-N 1 1 322.409 1.787 20 5 DDBDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025684976 736820175 /nfs/dbraw/zinc/82/01/75/736820175.db2.gz CLNARFRWAZCAIS-FICVDOATSA-N 1 1 303.362 1.797 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2nc(NCC3([NH+]4CCCC4)COC3)ccc12 ZINC001168442860 744900125 /nfs/dbraw/zinc/90/01/25/744900125.db2.gz SHPNPIOELYJDKM-UHFFFAOYSA-N 1 1 317.349 1.748 20 5 DDBDMO CCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031661428 747337522 /nfs/dbraw/zinc/33/75/22/747337522.db2.gz XUYPBCOOIHLWOX-HZPDHXFCSA-N 1 1 317.389 1.462 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cc[nH]c1 ZINC001031692138 747390539 /nfs/dbraw/zinc/39/05/39/747390539.db2.gz JBLQATWFGOWFNX-UHFFFAOYSA-N 1 1 314.345 1.785 20 5 DDBDMO COCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471847 748265048 /nfs/dbraw/zinc/26/50/48/748265048.db2.gz KQMGVOXPMIDOQE-ZIAGYGMSSA-N 1 1 313.398 1.049 20 5 DDBDMO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026252 762203233 /nfs/dbraw/zinc/20/32/33/762203233.db2.gz WOEASBNNHKOJIK-REWIBIJMSA-N 1 1 307.394 1.519 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046746 762204847 /nfs/dbraw/zinc/20/48/47/762204847.db2.gz MKCKNRQCOBDCHI-WOPDTQHZSA-N 1 1 302.396 1.412 20 5 DDBDMO CC(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054265679 759370618 /nfs/dbraw/zinc/37/06/18/759370618.db2.gz VRRMRHFCSOVVCW-HZPDHXFCSA-N 1 1 317.389 1.940 20 5 DDBDMO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054265679 759370629 /nfs/dbraw/zinc/37/06/29/759370629.db2.gz VRRMRHFCSOVVCW-HZPDHXFCSA-N 1 1 317.389 1.940 20 5 DDBDMO CC(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1 ZINC001054265679 759370639 /nfs/dbraw/zinc/37/06/39/759370639.db2.gz VRRMRHFCSOVVCW-HZPDHXFCSA-N 1 1 317.389 1.940 20 5 DDBDMO CC(C)(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001400000 762825130 /nfs/dbraw/zinc/82/51/30/762825130.db2.gz PDGVJJAJARKCDU-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO CCC(=O)N1CC2(C1)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC001050398588 763543019 /nfs/dbraw/zinc/54/30/19/763543019.db2.gz FBLYHXFQWQGEQL-UHFFFAOYSA-N 1 1 321.381 1.163 20 5 DDBDMO CNC(=O)CC[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170346629 766277218 /nfs/dbraw/zinc/27/72/18/766277218.db2.gz OWUZMLKAXUCNCE-LLVKDONJSA-N 1 1 309.366 1.602 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001121698268 782632157 /nfs/dbraw/zinc/63/21/57/782632157.db2.gz FMIPUTPRBXVRJO-RYUDHWBXSA-N 1 1 310.402 1.241 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001096243419 768740658 /nfs/dbraw/zinc/74/06/58/768740658.db2.gz WHSLCNQMFHJQOU-UHFFFAOYSA-N 1 1 324.356 1.382 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097036649 771590969 /nfs/dbraw/zinc/59/09/69/771590969.db2.gz CNDZANFWLRWRHI-HAQNSBGRSA-N 1 1 321.381 1.389 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093674116 774988989 /nfs/dbraw/zinc/98/89/89/774988989.db2.gz PKUBDGLQZLSJCN-UHFFFAOYSA-N 1 1 312.345 1.602 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001094221985 775543809 /nfs/dbraw/zinc/54/38/09/775543809.db2.gz YUTAGGUZWKGOQP-UHFFFAOYSA-N 1 1 321.381 1.311 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001094574177 776049531 /nfs/dbraw/zinc/04/95/31/776049531.db2.gz QOJGOKDNSQRHDV-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CCn1nnc(C)c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323803 777750845 /nfs/dbraw/zinc/75/08/45/777750845.db2.gz PUPMPLXFGWQXMQ-HNNXBMFYSA-N 1 1 319.365 1.512 20 5 DDBDMO O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001115530680 780217065 /nfs/dbraw/zinc/21/70/65/780217065.db2.gz LGEQJQDJABLQNS-ZIAGYGMSSA-N 1 1 309.410 1.860 20 5 DDBDMO CCOCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530786 780217503 /nfs/dbraw/zinc/21/75/03/780217503.db2.gz RIZVDQUUPIQULA-CHWSQXEVSA-N 1 1 313.398 1.097 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001117797906 780902300 /nfs/dbraw/zinc/90/23/00/780902300.db2.gz MZAQQTIFSNKMQN-MPKXVKKWSA-N 1 1 307.350 1.227 20 5 DDBDMO CN(C)C1(CNc2ncc([N+](=O)[O-])cc2N)CC[NH+](C)CC1 ZINC001156185083 862790538 /nfs/dbraw/zinc/79/05/38/862790538.db2.gz MBOBLCHBPUZKKS-UHFFFAOYSA-N 1 1 308.386 1.010 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159884669 865581534 /nfs/dbraw/zinc/58/15/34/865581534.db2.gz JVHDOLJHPXIQHN-DMDPSCGWSA-N 1 1 304.350 1.247 20 5 DDBDMO COC(=O)C(C)(C)C[N@@H+](CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC001332150311 865615248 /nfs/dbraw/zinc/61/52/48/865615248.db2.gz YCBIADKLOJABOZ-UHFFFAOYSA-N 1 1 312.370 1.906 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3C[C@H](CCO)[C@H](CO)C3)c2c1 ZINC001336870502 869192418 /nfs/dbraw/zinc/19/24/18/869192418.db2.gz VJABJNMPJXLLOD-RYUDHWBXSA-N 1 1 317.345 1.570 20 5 DDBDMO COCCC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165093197 869369459 /nfs/dbraw/zinc/36/94/59/869369459.db2.gz AQUGBPKTZWOOQN-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO C[N@@H+](C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1)[C@@H]1CCOC1 ZINC001165204086 869427334 /nfs/dbraw/zinc/42/73/34/869427334.db2.gz SYHIYCJPNIKKKD-SECBINFHSA-N 1 1 312.757 1.553 20 5 DDBDMO Cc1cnc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)c([N+](=O)[O-])c1 ZINC001166033089 869808258 /nfs/dbraw/zinc/80/82/58/869808258.db2.gz UEBPYRUCGOXLRA-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001340012702 870837030 /nfs/dbraw/zinc/83/70/30/870837030.db2.gz TVFQQSITVPWUBU-QWHCGFSZSA-N 1 1 324.429 1.426 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001340856771 871390158 /nfs/dbraw/zinc/39/01/58/871390158.db2.gz JXJSOYXBNJLVIS-CYBMUJFWSA-N 1 1 320.393 1.875 20 5 DDBDMO O=C1N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001307906486 871458404 /nfs/dbraw/zinc/45/84/04/871458404.db2.gz XVJIOYUVBHCPAF-IACUBPJLSA-N 1 1 321.333 1.059 20 5 DDBDMO COC(=O)CC(C)(C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC001319569066 872696631 /nfs/dbraw/zinc/69/66/31/872696631.db2.gz ZXOFFPBDQFHSPP-UHFFFAOYSA-N 1 1 311.338 1.030 20 5 DDBDMO CN1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289327 877232521 /nfs/dbraw/zinc/23/25/21/877232521.db2.gz XTBBAZJKTSVQNZ-DZGCQCFKSA-N 1 1 323.393 1.266 20 5 DDBDMO COC(=O)c1ccc(COC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223414678 880953665 /nfs/dbraw/zinc/95/36/65/880953665.db2.gz MKKGLQBMKAIIQT-ZDUSSCGKSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1ccc(COC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223414678 880953671 /nfs/dbraw/zinc/95/36/71/880953671.db2.gz MKKGLQBMKAIIQT-ZDUSSCGKSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1c(O[C@@H]2CCc3[nH+]ccn3C2)cccc1[N+](=O)[O-] ZINC001229049982 883791489 /nfs/dbraw/zinc/79/14/89/883791489.db2.gz QCCYTWDTHOEEER-SNVBAGLBSA-N 1 1 317.301 1.972 20 5 DDBDMO Nc1[nH]c2cc(O[C@@H]3COc4nc([N+](=O)[O-])cn4C3)ccc2[nH+]1 ZINC001230516847 884533936 /nfs/dbraw/zinc/53/39/36/884533936.db2.gz VAQLWRQJOSUYIR-QMMMGPOBSA-N 1 1 316.277 1.090 20 5 DDBDMO CC[N@H+]1CCC[C@H](Oc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001233863734 887400050 /nfs/dbraw/zinc/40/00/50/887400050.db2.gz YUTQRSQOIYHHSR-NSHDSACASA-N 1 1 309.322 1.640 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001246442574 892627217 /nfs/dbraw/zinc/62/72/17/892627217.db2.gz DCVMIGQHJJGKER-HNNXBMFYSA-N 1 1 302.378 1.515 20 5 DDBDMO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 ZINC001254476628 896456097 /nfs/dbraw/zinc/45/60/97/896456097.db2.gz URQARVSSBXTOAY-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 ZINC001254476628 896456103 /nfs/dbraw/zinc/45/61/03/896456103.db2.gz URQARVSSBXTOAY-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO COC(=O)CN1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561125 896502007 /nfs/dbraw/zinc/50/20/07/896502007.db2.gz FLRYLLQCJDKOFL-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001254567615 896505466 /nfs/dbraw/zinc/50/54/66/896505466.db2.gz XSCGOVWJYXFGQZ-KWCYVHTRSA-N 1 1 303.362 1.594 20 5 DDBDMO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605223 896526980 /nfs/dbraw/zinc/52/69/80/896526980.db2.gz AKDKZKQSCQPJNW-CABCVRRESA-N 1 1 303.362 1.663 20 5 DDBDMO C[N@@H+](C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1)[C@@H]1CCOC1 ZINC001254604613 896527907 /nfs/dbraw/zinc/52/79/07/896527907.db2.gz WWFNXFGEJQDQEA-HZPDHXFCSA-N 1 1 317.389 1.467 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001262059740 899922181 /nfs/dbraw/zinc/92/21/81/899922181.db2.gz IIHYGXMGMDFGIC-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CCN(C)[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001262059740 899922188 /nfs/dbraw/zinc/92/21/88/899922188.db2.gz IIHYGXMGMDFGIC-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001262059740 899922199 /nfs/dbraw/zinc/92/21/99/899922199.db2.gz IIHYGXMGMDFGIC-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001262059740 899922210 /nfs/dbraw/zinc/92/22/10/899922210.db2.gz IIHYGXMGMDFGIC-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001262653901 900286010 /nfs/dbraw/zinc/28/60/10/900286010.db2.gz SNFWAPWLJSKNBW-ZDUSSCGKSA-N 1 1 307.350 1.574 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438512 282082953 /nfs/dbraw/zinc/08/29/53/282082953.db2.gz BXARNSSQBODSOK-DOMZBBRYSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000081904031 192336343 /nfs/dbraw/zinc/33/63/43/192336343.db2.gz FKEKIYQUUDLSOX-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248926101 282118501 /nfs/dbraw/zinc/11/85/01/282118501.db2.gz LQDZHFBZMBREHV-NXEZZACHSA-N 1 1 302.758 1.812 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000248964914 282121789 /nfs/dbraw/zinc/12/17/89/282121789.db2.gz ROEFFTLLCMCLJV-XHDPSFHLSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000181576554 199321361 /nfs/dbraw/zinc/32/13/61/199321361.db2.gz IPDLHFBVUAHXBB-STQMWFEESA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000181576554 199321362 /nfs/dbraw/zinc/32/13/62/199321362.db2.gz IPDLHFBVUAHXBB-STQMWFEESA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425041352 529822018 /nfs/dbraw/zinc/82/20/18/529822018.db2.gz BQBIQIRZBHCWPL-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)n1 ZINC000286752875 219146802 /nfs/dbraw/zinc/14/68/02/219146802.db2.gz YVELIWOYXVZFRK-VHSXEESVSA-N 1 1 322.287 1.284 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000279723162 215092696 /nfs/dbraw/zinc/09/26/96/215092696.db2.gz MCQSLXKZMJXTSB-CQSZACIVSA-N 1 1 323.393 1.626 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000358395661 299142257 /nfs/dbraw/zinc/14/22/57/299142257.db2.gz PGRGLIJPBIOLBN-ZDUSSCGKSA-N 1 1 307.325 1.583 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272606287 210004426 /nfs/dbraw/zinc/00/44/26/210004426.db2.gz JRFRMVBCCCPRSP-UKRRQHHQSA-N 1 1 303.362 1.690 20 5 DDBDMO COc1cc(C(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000279777362 215137305 /nfs/dbraw/zinc/13/73/05/215137305.db2.gz CCEBHBPSKPLDEQ-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000279910133 215229995 /nfs/dbraw/zinc/22/99/95/215229995.db2.gz VQQBOZAYCXDVCC-CQSZACIVSA-N 1 1 310.350 1.685 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152401280 186068904 /nfs/dbraw/zinc/06/89/04/186068904.db2.gz UHDJMXODBRTYPE-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000266849094 186358392 /nfs/dbraw/zinc/35/83/92/186358392.db2.gz QBOPVBYYCFYYRJ-STQMWFEESA-N 1 1 308.382 1.580 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000617353071 363067186 /nfs/dbraw/zinc/06/71/86/363067186.db2.gz USZZUBHCSOQZES-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000172353683 198084499 /nfs/dbraw/zinc/08/44/99/198084499.db2.gz TWGPPSBOYWRQDZ-SNVBAGLBSA-N 1 1 309.370 1.294 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000172669676 198134939 /nfs/dbraw/zinc/13/49/39/198134939.db2.gz NQUIJEUHWKYDIN-UHFFFAOYSA-N 1 1 301.368 1.354 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000052071045 352599625 /nfs/dbraw/zinc/59/96/25/352599625.db2.gz GUIPMQLYMTZGHR-ZFWWWQNUSA-N 1 1 324.377 1.693 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061649811 352892693 /nfs/dbraw/zinc/89/26/93/352892693.db2.gz MBRLWJCLNUGEMC-UONOGXRCSA-N 1 1 319.361 1.117 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065866675 352966865 /nfs/dbraw/zinc/96/68/65/352966865.db2.gz RLCXDNMPTCARSP-UHFFFAOYSA-N 1 1 308.382 1.853 20 5 DDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000564957590 304030187 /nfs/dbraw/zinc/03/01/87/304030187.db2.gz QQCBHMMHDFSIGW-CQSZACIVSA-N 1 1 310.329 1.410 20 5 DDBDMO O=[N+]([O-])c1cn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000066482908 353000622 /nfs/dbraw/zinc/00/06/22/353000622.db2.gz TZLXARHSSDNFIF-CQSZACIVSA-N 1 1 302.334 1.211 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000067963879 353077667 /nfs/dbraw/zinc/07/76/67/353077667.db2.gz AEKFKYHOJPIYNZ-NSHDSACASA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000067963879 353077668 /nfs/dbraw/zinc/07/76/68/353077668.db2.gz AEKFKYHOJPIYNZ-NSHDSACASA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170725 353706613 /nfs/dbraw/zinc/70/66/13/353706613.db2.gz FNRXNPQHMWKNTR-ZJUUUORDSA-N 1 1 318.333 1.822 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000093333209 353895494 /nfs/dbraw/zinc/89/54/94/353895494.db2.gz PSOCEUPQLBYMFR-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1O ZINC000093333209 353895497 /nfs/dbraw/zinc/89/54/97/353895497.db2.gz PSOCEUPQLBYMFR-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000093483658 353901850 /nfs/dbraw/zinc/90/18/50/353901850.db2.gz GLLOHFWHHSILMT-OKILXGFUSA-N 1 1 320.370 1.861 20 5 DDBDMO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156799106 354221560 /nfs/dbraw/zinc/22/15/60/354221560.db2.gz NOIQEBRKNSMXIU-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156799106 354221563 /nfs/dbraw/zinc/22/15/63/354221563.db2.gz NOIQEBRKNSMXIU-QMTHXVAHSA-N 1 1 323.349 1.052 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055594 354228574 /nfs/dbraw/zinc/22/85/74/354228574.db2.gz CACLFRXXZRBNNI-YPMHNXCESA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000158055594 354228577 /nfs/dbraw/zinc/22/85/77/354228577.db2.gz CACLFRXXZRBNNI-YPMHNXCESA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000585707450 354830947 /nfs/dbraw/zinc/83/09/47/354830947.db2.gz ZTMFEHOVVQJNDH-UHFFFAOYSA-N 1 1 305.338 1.676 20 5 DDBDMO CC[N@H+](CCC(=O)OC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497351 354996867 /nfs/dbraw/zinc/99/68/67/354996867.db2.gz OLZVTGWDRMQDKT-UHFFFAOYSA-N 1 1 324.333 1.766 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497351 354996870 /nfs/dbraw/zinc/99/68/70/354996870.db2.gz OLZVTGWDRMQDKT-UHFFFAOYSA-N 1 1 324.333 1.766 20 5 DDBDMO CCc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044200 355042497 /nfs/dbraw/zinc/04/24/97/355042497.db2.gz IFRXHFZPJYPXOM-HIFRSBDPSA-N 1 1 303.362 1.933 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591028151 355235742 /nfs/dbraw/zinc/23/57/42/355235742.db2.gz LJORTYWOXWTGBX-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000592332239 355561292 /nfs/dbraw/zinc/56/12/92/355561292.db2.gz IBHYNZFRMRFOPC-UWVGGRQHSA-N 1 1 309.370 1.470 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000592128499 355507386 /nfs/dbraw/zinc/50/73/86/355507386.db2.gz XCYFNZGQIXYJPY-MWLCHTKSSA-N 1 1 318.333 1.712 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000592128499 355507389 /nfs/dbraw/zinc/50/73/89/355507389.db2.gz XCYFNZGQIXYJPY-MWLCHTKSSA-N 1 1 318.333 1.712 20 5 DDBDMO C[C@@H](CCO)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593109967 355801810 /nfs/dbraw/zinc/80/18/10/355801810.db2.gz PIXIVZSIDJVRIG-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](CCO)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593109967 355801814 /nfs/dbraw/zinc/80/18/14/355801814.db2.gz PIXIVZSIDJVRIG-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593679092 355964746 /nfs/dbraw/zinc/96/47/46/355964746.db2.gz AMCSNTJGUZKNNE-OAHLLOKOSA-N 1 1 321.377 1.244 20 5 DDBDMO O=C(NCCC1CC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593919060 356060502 /nfs/dbraw/zinc/06/05/02/356060502.db2.gz NCHNBJQOKZPCRY-UHFFFAOYSA-N 1 1 317.349 1.591 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000594014455 356087185 /nfs/dbraw/zinc/08/71/85/356087185.db2.gz DSXLYSZZRUDDDH-LSDHHAIUSA-N 1 1 324.377 1.571 20 5 DDBDMO C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000594356951 356182158 /nfs/dbraw/zinc/18/21/58/356182158.db2.gz ZBFUXZLXHYQVSP-UHFFFAOYSA-N 1 1 309.370 1.079 20 5 DDBDMO C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000594356951 356182159 /nfs/dbraw/zinc/18/21/59/356182159.db2.gz ZBFUXZLXHYQVSP-UHFFFAOYSA-N 1 1 309.370 1.079 20 5 DDBDMO COCC[N@@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042033 356376140 /nfs/dbraw/zinc/37/61/40/356376140.db2.gz SKKCGTXMLCFPNS-LBPRGKRZSA-N 1 1 311.382 1.832 20 5 DDBDMO Cc1noc(CN2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000595317609 356447627 /nfs/dbraw/zinc/44/76/27/356447627.db2.gz BGCVQTHCWOHZBT-UHFFFAOYSA-N 1 1 312.370 1.170 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000081539390 192286148 /nfs/dbraw/zinc/28/61/48/192286148.db2.gz AHEBHBMDOCVIHC-LLVKDONJSA-N 1 1 309.366 1.807 20 5 DDBDMO CN1C(=O)NCC12CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595554039 356548351 /nfs/dbraw/zinc/54/83/51/356548351.db2.gz QQJWVJVPPKAQNF-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1[N+](=O)[O-] ZINC000236858163 202040631 /nfs/dbraw/zinc/04/06/31/202040631.db2.gz RNEAGYFOJUPRQK-JTQLQIEISA-N 1 1 311.386 1.716 20 5 DDBDMO Cc1noc(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595591806 356565916 /nfs/dbraw/zinc/56/59/16/356565916.db2.gz KRISDRATOPWZFL-CYBMUJFWSA-N 1 1 305.334 1.927 20 5 DDBDMO Cc1noc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595591806 356565921 /nfs/dbraw/zinc/56/59/21/356565921.db2.gz KRISDRATOPWZFL-CYBMUJFWSA-N 1 1 305.334 1.927 20 5 DDBDMO COC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000595662896 356598546 /nfs/dbraw/zinc/59/85/46/356598546.db2.gz FCPWHFXDVJOSRH-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO COC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000595662896 356598551 /nfs/dbraw/zinc/59/85/51/356598551.db2.gz FCPWHFXDVJOSRH-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595767185 356644031 /nfs/dbraw/zinc/64/40/31/356644031.db2.gz WPDQIRKVYFZDSF-DGCLKSJQSA-N 1 1 307.350 1.769 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596539249 356911101 /nfs/dbraw/zinc/91/11/01/356911101.db2.gz NPVSFEOAZCDAIQ-ZDUSSCGKSA-N 1 1 323.397 1.155 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000597857375 357360247 /nfs/dbraw/zinc/36/02/47/357360247.db2.gz FRVXFSMESXVEAB-JTQLQIEISA-N 1 1 306.366 1.780 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000598600357 357648762 /nfs/dbraw/zinc/64/87/62/357648762.db2.gz AVUSQFCIORDKOK-UWVGGRQHSA-N 1 1 320.349 1.814 20 5 DDBDMO Cn1cccc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222564 199001291 /nfs/dbraw/zinc/00/12/91/199001291.db2.gz PFXFMMLYMMWZSJ-OAHLLOKOSA-N 1 1 316.361 1.932 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(OC(F)F)c1 ZINC000599176012 357840045 /nfs/dbraw/zinc/84/00/45/357840045.db2.gz ODFGSQDGDARXMJ-SNVBAGLBSA-N 1 1 317.292 1.675 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)Cn2cccn2)C2CC2)cc1 ZINC000179520990 199049484 /nfs/dbraw/zinc/04/94/84/199049484.db2.gz XRDTZRGJCRKCEC-INIZCTEOSA-N 1 1 316.361 1.817 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553488 357970678 /nfs/dbraw/zinc/97/06/78/357970678.db2.gz WSYAFCVTZUFRKI-XQQFMLRXSA-N 1 1 312.395 1.122 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c([N+](=O)[O-])c1 ZINC000599682295 358023242 /nfs/dbraw/zinc/02/32/42/358023242.db2.gz ZXRQFUGNKMHYCA-SGIREYDYSA-N 1 1 322.361 1.827 20 5 DDBDMO Cc1c(C(=O)NC2CC([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000600070149 358114623 /nfs/dbraw/zinc/11/46/23/358114623.db2.gz YFOBYEZWPDFREG-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000600315920 358195079 /nfs/dbraw/zinc/19/50/79/358195079.db2.gz XGGZBIUZOQUZIY-LBPRGKRZSA-N 1 1 323.397 1.375 20 5 DDBDMO C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C(=O)NCCF ZINC000601162229 358427526 /nfs/dbraw/zinc/42/75/26/358427526.db2.gz KMQCQKYIGYDIDV-VIFPVBQESA-N 1 1 306.297 1.451 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601165492 358428928 /nfs/dbraw/zinc/42/89/28/358428928.db2.gz BIDRGNYCYLOXPT-UHFFFAOYSA-N 1 1 313.377 1.449 20 5 DDBDMO CN(CCCN(C)c1ncc(F)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000601165492 358428932 /nfs/dbraw/zinc/42/89/32/358428932.db2.gz BIDRGNYCYLOXPT-UHFFFAOYSA-N 1 1 313.377 1.449 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000601971556 358759553 /nfs/dbraw/zinc/75/95/53/358759553.db2.gz DNVOTYKNQJTQOZ-TXEJJXNPSA-N 1 1 308.334 1.560 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC(=O)OC(C)(C)C ZINC000602787050 359191100 /nfs/dbraw/zinc/19/11/00/359191100.db2.gz GLFNBRVMPWSDRT-UHFFFAOYSA-N 1 1 312.370 1.763 20 5 DDBDMO C[C@H](C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602687981 359126139 /nfs/dbraw/zinc/12/61/39/359126139.db2.gz SXULIVPRXYKUJM-SNVBAGLBSA-N 1 1 312.370 1.738 20 5 DDBDMO C[C@H](C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602687981 359126142 /nfs/dbraw/zinc/12/61/42/359126142.db2.gz SXULIVPRXYKUJM-SNVBAGLBSA-N 1 1 312.370 1.738 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@](C)(O)C1CC1 ZINC000602831706 359224074 /nfs/dbraw/zinc/22/40/74/359224074.db2.gz PWHXIDNHNMMMKF-WBVHZDCISA-N 1 1 322.405 1.981 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000602951369 359316585 /nfs/dbraw/zinc/31/65/85/359316585.db2.gz JAIATILNGJUXIF-DGCLKSJQSA-N 1 1 319.365 1.278 20 5 DDBDMO O=[N+]([O-])c1cccc(OCCn2cc(C[NH+]3CCCC3)nn2)c1 ZINC000603200302 359475985 /nfs/dbraw/zinc/47/59/85/359475985.db2.gz HBTUZDHSXFBODK-UHFFFAOYSA-N 1 1 317.349 1.861 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186959711 200038944 /nfs/dbraw/zinc/03/89/44/200038944.db2.gz UJNKHPMKFFUXTK-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186959711 200038946 /nfs/dbraw/zinc/03/89/46/200038946.db2.gz UJNKHPMKFFUXTK-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000189375275 200390132 /nfs/dbraw/zinc/39/01/32/200390132.db2.gz JDGSXSOOIKMFFB-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000189375275 200390134 /nfs/dbraw/zinc/39/01/34/200390134.db2.gz JDGSXSOOIKMFFB-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C(C)(C)CO ZINC000609894979 360363093 /nfs/dbraw/zinc/36/30/93/360363093.db2.gz UZABVXYYDOZIEA-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C)(C)CO ZINC000609894979 360363096 /nfs/dbraw/zinc/36/30/96/360363096.db2.gz UZABVXYYDOZIEA-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846480 360355683 /nfs/dbraw/zinc/35/56/83/360355683.db2.gz RTHJJMLEUZXLAE-PWSUYJOCSA-N 1 1 319.365 1.143 20 5 DDBDMO C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000609846480 360355685 /nfs/dbraw/zinc/35/56/85/360355685.db2.gz RTHJJMLEUZXLAE-PWSUYJOCSA-N 1 1 319.365 1.143 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](CO)C1)OCCO2 ZINC000610930137 360573415 /nfs/dbraw/zinc/57/34/15/360573415.db2.gz BJFYZAQISOXJRM-NSHDSACASA-N 1 1 308.334 1.570 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](CO)C1)OCCO2 ZINC000610930137 360573417 /nfs/dbraw/zinc/57/34/17/360573417.db2.gz BJFYZAQISOXJRM-NSHDSACASA-N 1 1 308.334 1.570 20 5 DDBDMO CC[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092571 360621431 /nfs/dbraw/zinc/62/14/31/360621431.db2.gz ZXWZEJLEPRSPTL-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092571 360621433 /nfs/dbraw/zinc/62/14/33/360621433.db2.gz ZXWZEJLEPRSPTL-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092571 360621435 /nfs/dbraw/zinc/62/14/35/360621435.db2.gz ZXWZEJLEPRSPTL-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000611616726 360777518 /nfs/dbraw/zinc/77/75/18/360777518.db2.gz AAKGMPHGYPGRBD-AWEZNQCLSA-N 1 1 320.393 1.765 20 5 DDBDMO COc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000612451357 361021722 /nfs/dbraw/zinc/02/17/22/361021722.db2.gz YZYMXHIOZMJZBP-JTQLQIEISA-N 1 1 311.313 1.263 20 5 DDBDMO COc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000612451357 361021725 /nfs/dbraw/zinc/02/17/25/361021725.db2.gz YZYMXHIOZMJZBP-JTQLQIEISA-N 1 1 311.313 1.263 20 5 DDBDMO COc1c(C(=O)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000619436531 364007870 /nfs/dbraw/zinc/00/78/70/364007870.db2.gz YWPSEMZYKFFLMD-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292916557 223308089 /nfs/dbraw/zinc/30/80/89/223308089.db2.gz HXIFUZHPBRIBDE-HNNXBMFYSA-N 1 1 317.349 1.516 20 5 DDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000261788438 203116446 /nfs/dbraw/zinc/11/64/46/203116446.db2.gz UEISECTUAZENFF-ZDUSSCGKSA-N 1 1 315.333 1.115 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264641189 204047510 /nfs/dbraw/zinc/04/75/10/204047510.db2.gz OEVBRJKQZKZTRV-CYBMUJFWSA-N 1 1 303.362 1.738 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000264796175 204163386 /nfs/dbraw/zinc/16/33/86/204163386.db2.gz TZCOXTXMGVJDQQ-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC[C@H]1CCCO1 ZINC000282505032 217047112 /nfs/dbraw/zinc/04/71/12/217047112.db2.gz RHEKMEVMPXKBBL-OAHLLOKOSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC[C@H]1CCCO1 ZINC000282505032 217047117 /nfs/dbraw/zinc/04/71/17/217047117.db2.gz RHEKMEVMPXKBBL-OAHLLOKOSA-N 1 1 321.377 1.364 20 5 DDBDMO CC(C)[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200775 284308203 /nfs/dbraw/zinc/30/82/03/284308203.db2.gz JOUNYNDRUJWCDV-GDBMZVCRSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000351200775 284308204 /nfs/dbraw/zinc/30/82/04/284308204.db2.gz JOUNYNDRUJWCDV-GDBMZVCRSA-N 1 1 324.377 1.691 20 5 DDBDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266389348 205312562 /nfs/dbraw/zinc/31/25/62/205312562.db2.gz BXBVAQDGNSRAFR-CQSZACIVSA-N 1 1 324.768 1.938 20 5 DDBDMO C[N@@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266503630 205392668 /nfs/dbraw/zinc/39/26/68/205392668.db2.gz XIGAYAMFTLLMKR-HNNXBMFYSA-N 1 1 304.350 1.327 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288473201 220166209 /nfs/dbraw/zinc/16/62/09/220166209.db2.gz QNIACTBUTYEIDS-MWLCHTKSSA-N 1 1 307.354 1.325 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285678574 296240450 /nfs/dbraw/zinc/24/04/50/296240450.db2.gz HNJACADYCCCHNG-SUHUHFCYSA-N 1 1 304.350 1.754 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285678574 296240452 /nfs/dbraw/zinc/24/04/52/296240452.db2.gz HNJACADYCCCHNG-SUHUHFCYSA-N 1 1 304.350 1.754 20 5 DDBDMO COCC[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000268002007 206388296 /nfs/dbraw/zinc/38/82/96/206388296.db2.gz WIUUPQLNPGCEAI-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000338671548 250084453 /nfs/dbraw/zinc/08/44/53/250084453.db2.gz GEYOJYZYKRYSKV-LBPRGKRZSA-N 1 1 309.366 1.984 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000352202163 284860984 /nfs/dbraw/zinc/86/09/84/284860984.db2.gz IJNCFNLYQJEVMB-NSHDSACASA-N 1 1 318.324 1.710 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000057711995 184049017 /nfs/dbraw/zinc/04/90/17/184049017.db2.gz JNVXCUSLWFWLCT-VIFPVBQESA-N 1 1 322.321 1.716 20 5 DDBDMO C[C@H](O)C[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156338670 197105541 /nfs/dbraw/zinc/10/55/41/197105541.db2.gz PIKKIWQMXUIJEW-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000156338670 197105542 /nfs/dbraw/zinc/10/55/42/197105542.db2.gz PIKKIWQMXUIJEW-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[N@H+]([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC[C@H]1O ZINC000352668260 285211249 /nfs/dbraw/zinc/21/12/49/285211249.db2.gz QQJFICOFDACSCV-RBSFLKMASA-N 1 1 319.361 1.545 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413256991 224162981 /nfs/dbraw/zinc/16/29/81/224162981.db2.gz AAMDYPAXLPYZLH-NSHDSACASA-N 1 1 324.356 1.818 20 5 DDBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000289669488 221142947 /nfs/dbraw/zinc/14/29/47/221142947.db2.gz FTRTXXZOZSHIKF-RHSMWYFYSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000289902299 221304408 /nfs/dbraw/zinc/30/44/08/221304408.db2.gz SNYMPGWFJWOWKC-DGCLKSJQSA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000289902299 221304412 /nfs/dbraw/zinc/30/44/12/221304412.db2.gz SNYMPGWFJWOWKC-DGCLKSJQSA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000289902299 221304414 /nfs/dbraw/zinc/30/44/14/221304414.db2.gz SNYMPGWFJWOWKC-DGCLKSJQSA-N 1 1 311.407 1.951 20 5 DDBDMO COc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425048002 533301818 /nfs/dbraw/zinc/30/18/18/533301818.db2.gz NKTLCUHLAQSAKP-GXTWGEPZSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000319016652 533635519 /nfs/dbraw/zinc/63/55/19/533635519.db2.gz CPKLVXMJPCGWLS-SCZZXKLOSA-N 1 1 310.329 1.529 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000569743683 304376454 /nfs/dbraw/zinc/37/64/54/304376454.db2.gz CIWHOXFHFMOOLW-LBPRGKRZSA-N 1 1 323.393 1.885 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000073818209 406895321 /nfs/dbraw/zinc/89/53/21/406895321.db2.gz XMPPYHLRTSTSBT-OAHLLOKOSA-N 1 1 320.393 1.921 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621138 407036641 /nfs/dbraw/zinc/03/66/41/407036641.db2.gz JFWPYRGKIRQXAU-NSHDSACASA-N 1 1 314.345 1.808 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621138 407036643 /nfs/dbraw/zinc/03/66/43/407036643.db2.gz JFWPYRGKIRQXAU-NSHDSACASA-N 1 1 314.345 1.808 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)c1C ZINC000088059573 407120744 /nfs/dbraw/zinc/12/07/44/407120744.db2.gz IYHBKNQXUSAUFN-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO COc1ccc(C[NH+]2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000050990526 407133479 /nfs/dbraw/zinc/13/34/79/407133479.db2.gz HSZDHRORFLPLAQ-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000123964256 407344137 /nfs/dbraw/zinc/34/41/37/407344137.db2.gz FZGLJLNHCFQXAB-RKDXNWHRSA-N 1 1 317.342 1.105 20 5 DDBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000105795386 407354569 /nfs/dbraw/zinc/35/45/69/407354569.db2.gz WZVCPCMDWFUWAI-ZDUSSCGKSA-N 1 1 309.366 1.114 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000107694967 407378466 /nfs/dbraw/zinc/37/84/66/407378466.db2.gz DUOFPMUULPFVTK-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO NC(=O)CC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000170731879 407487325 /nfs/dbraw/zinc/48/73/25/407487325.db2.gz YVHWIEILBYXRKX-CYBMUJFWSA-N 1 1 321.377 1.951 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270985686 407452189 /nfs/dbraw/zinc/45/21/89/407452189.db2.gz XSKFXBVGHSWZGK-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270985686 407452194 /nfs/dbraw/zinc/45/21/94/407452194.db2.gz XSKFXBVGHSWZGK-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794795 407456966 /nfs/dbraw/zinc/45/69/66/407456966.db2.gz MYMBIOUOXNCPSH-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127717004 407457838 /nfs/dbraw/zinc/45/78/38/407457838.db2.gz NRILAAWMYZHLJG-UONOGXRCSA-N 1 1 306.410 1.881 20 5 DDBDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540041 407552281 /nfs/dbraw/zinc/55/22/81/407552281.db2.gz PRXSKKMKVQBXKL-WFASDCNBSA-N 1 1 316.361 1.772 20 5 DDBDMO COCC1=CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000185815536 407510932 /nfs/dbraw/zinc/51/09/32/407510932.db2.gz SVAPUADVUQQFDB-CQSZACIVSA-N 1 1 322.361 1.613 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178627207 407517407 /nfs/dbraw/zinc/51/74/07/407517407.db2.gz KBGUGJKJJZPNRT-SWLSCSKDSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178640899 407522488 /nfs/dbraw/zinc/52/24/88/407522488.db2.gz AARMECHHBSQGDS-IUODEOHRSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178640889 407522948 /nfs/dbraw/zinc/52/29/48/407522948.db2.gz AARMECHHBSQGDS-SWLSCSKDSA-N 1 1 318.377 1.702 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000265947305 407523026 /nfs/dbraw/zinc/52/30/26/407523026.db2.gz KAYVJKIEIKPNQH-PWSUYJOCSA-N 1 1 323.397 1.439 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271124555 407525553 /nfs/dbraw/zinc/52/55/53/407525553.db2.gz ZLWTWEGREADZOL-AWEZNQCLSA-N 1 1 302.334 1.562 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000271329755 407638707 /nfs/dbraw/zinc/63/87/07/407638707.db2.gz ARJNQZJBKHWIQX-UHFFFAOYSA-N 1 1 323.397 1.713 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000187155235 407827558 /nfs/dbraw/zinc/82/75/58/407827558.db2.gz ZGHHCEGUOXKARN-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000133327080 407830181 /nfs/dbraw/zinc/83/01/81/407830181.db2.gz BGMPYHBUFKTADF-SMDDNHRTSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000133327080 407830187 /nfs/dbraw/zinc/83/01/87/407830187.db2.gz BGMPYHBUFKTADF-SMDDNHRTSA-N 1 1 322.365 1.113 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000133353405 407832932 /nfs/dbraw/zinc/83/29/32/407832932.db2.gz MOUIZIYRVPZFRR-GFCCVEGCSA-N 1 1 321.381 1.090 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000267343402 407842543 /nfs/dbraw/zinc/84/25/43/407842543.db2.gz CYSLXTMDQQTEGE-GFCCVEGCSA-N 1 1 320.267 1.973 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000267343402 407842549 /nfs/dbraw/zinc/84/25/49/407842549.db2.gz CYSLXTMDQQTEGE-GFCCVEGCSA-N 1 1 320.267 1.973 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118117449 407896515 /nfs/dbraw/zinc/89/65/15/407896515.db2.gz AVPVIQNYVQZLFN-NSHDSACASA-N 1 1 322.365 1.380 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000272570089 407989182 /nfs/dbraw/zinc/98/91/82/407989182.db2.gz CWQLOFHNJHPERV-GHMZBOCLSA-N 1 1 306.366 1.732 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245852739 408078430 /nfs/dbraw/zinc/07/84/30/408078430.db2.gz DBZZVXKEZWXKQB-UKRRQHHQSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000189876838 408125869 /nfs/dbraw/zinc/12/58/69/408125869.db2.gz IFWHNSMIVFVGIJ-CYBMUJFWSA-N 1 1 307.394 1.872 20 5 DDBDMO CCOC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136805067 408126403 /nfs/dbraw/zinc/12/64/03/408126403.db2.gz JPIAIMKVJQINBW-HNNXBMFYSA-N 1 1 322.361 1.903 20 5 DDBDMO COC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273339204 408158491 /nfs/dbraw/zinc/15/84/91/408158491.db2.gz NIMCEMDYUYQEKH-QWHCGFSZSA-N 1 1 310.350 1.303 20 5 DDBDMO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000182773608 408245347 /nfs/dbraw/zinc/24/53/47/408245347.db2.gz CIKTVFVNNBZMPC-GFCCVEGCSA-N 1 1 318.377 1.120 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C)CC1 ZINC000122188846 408263792 /nfs/dbraw/zinc/26/37/92/408263792.db2.gz NSNJEVRYOYDFOT-UHFFFAOYSA-N 1 1 322.365 1.179 20 5 DDBDMO Cn1cccc1[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246465401 408263952 /nfs/dbraw/zinc/26/39/52/408263952.db2.gz AKJYTKNBPAHZKU-UKRRQHHQSA-N 1 1 319.365 1.328 20 5 DDBDMO CSc1ccc(C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000190253461 408200111 /nfs/dbraw/zinc/20/01/11/408200111.db2.gz UYMZFAUTJSEQDF-UHFFFAOYSA-N 1 1 305.306 1.641 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246282976 408205828 /nfs/dbraw/zinc/20/58/28/408205828.db2.gz NVVMKYAMGGBPLV-KFWWJZLASA-N 1 1 324.402 1.835 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000273479531 408216729 /nfs/dbraw/zinc/21/67/29/408216729.db2.gz GAPHJCBYKNSDGK-UHFFFAOYSA-N 1 1 313.379 1.092 20 5 DDBDMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182689169 408225523 /nfs/dbraw/zinc/22/55/23/408225523.db2.gz CNIDEYGKRCTDMW-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190850224 408330251 /nfs/dbraw/zinc/33/02/51/408330251.db2.gz MWQTVAKGOCOSDS-WOPDTQHZSA-N 1 1 307.350 1.482 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000269330933 408270448 /nfs/dbraw/zinc/27/04/48/408270448.db2.gz AFWMUINFLLNOMD-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269431983 408305369 /nfs/dbraw/zinc/30/53/69/408305369.db2.gz ZZAOXTSEKAYCHX-UHFFFAOYSA-N 1 1 320.353 1.766 20 5 DDBDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(N)=O ZINC000133136489 162052364 /nfs/dbraw/zinc/05/23/64/162052364.db2.gz VJYQFEIHFYKSTP-AWEZNQCLSA-N 1 1 308.338 1.085 20 5 DDBDMO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000264441944 408491537 /nfs/dbraw/zinc/49/15/37/408491537.db2.gz BVXRPEOWIUYCRO-JTQLQIEISA-N 1 1 313.379 1.415 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000264441944 408491542 /nfs/dbraw/zinc/49/15/42/408491542.db2.gz BVXRPEOWIUYCRO-JTQLQIEISA-N 1 1 313.379 1.415 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1Cc2ccccc2C1 ZINC000270566804 408581525 /nfs/dbraw/zinc/58/15/25/408581525.db2.gz MISDHEBCXOAFSH-UHFFFAOYSA-N 1 1 313.357 1.856 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275387161 408588321 /nfs/dbraw/zinc/58/83/21/408588321.db2.gz PYSWOEPDMHWHBM-RYUDHWBXSA-N 1 1 320.393 1.454 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144784 408535150 /nfs/dbraw/zinc/53/51/50/408535150.db2.gz YYCGSTDKPLKFKD-UWVGGRQHSA-N 1 1 321.381 1.625 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1CO ZINC000265378598 408630818 /nfs/dbraw/zinc/63/08/18/408630818.db2.gz BZFOTBHEVNHDBE-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192793986 408650848 /nfs/dbraw/zinc/65/08/48/408650848.db2.gz JYYDHTAUOVLYQV-UHFFFAOYSA-N 1 1 308.382 1.460 20 5 DDBDMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000161992483 408657624 /nfs/dbraw/zinc/65/76/24/408657624.db2.gz QKJFJXOAIGLVOK-UHFFFAOYSA-N 1 1 320.349 1.006 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cncc(F)c3)CC2)n1 ZINC000270870763 408717044 /nfs/dbraw/zinc/71/70/44/408717044.db2.gz JDLOGTNMLNVEIU-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000290814684 408837929 /nfs/dbraw/zinc/83/79/29/408837929.db2.gz RQZRQIRZHWGZRH-JQWIXIFHSA-N 1 1 321.381 1.255 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277482178 408948370 /nfs/dbraw/zinc/94/83/70/408948370.db2.gz CPGBAXREHGDQDY-MNOVXSKESA-N 1 1 319.365 1.362 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC(N)=O ZINC000286439177 408985718 /nfs/dbraw/zinc/98/57/18/408985718.db2.gz LQPVVIXMQYEURG-SECBINFHSA-N 1 1 319.321 1.513 20 5 DDBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC(N)=O ZINC000286439177 408985720 /nfs/dbraw/zinc/98/57/20/408985720.db2.gz LQPVVIXMQYEURG-SECBINFHSA-N 1 1 319.321 1.513 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277920432 409035434 /nfs/dbraw/zinc/03/54/34/409035434.db2.gz XYRPDRJYSAEDBK-HOCLYGCPSA-N 1 1 316.361 1.536 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+](C2CCC2)C1 ZINC000293604294 409146775 /nfs/dbraw/zinc/14/67/75/409146775.db2.gz DCMHEUKNMJIJKT-JTQLQIEISA-N 1 1 307.354 1.264 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486162 409224404 /nfs/dbraw/zinc/22/44/04/409224404.db2.gz RENRAPWRKUQVIZ-ZANVPECISA-N 1 1 324.356 1.728 20 5 DDBDMO COC(=O)c1cc(C)nc(N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000283752695 409208860 /nfs/dbraw/zinc/20/88/60/409208860.db2.gz LLINMVYTSVMRDX-UHFFFAOYSA-N 1 1 320.349 1.369 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000280460136 409315765 /nfs/dbraw/zinc/31/57/65/409315765.db2.gz ZRYVVJXMTIJDOH-UHFFFAOYSA-N 1 1 318.377 1.698 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284414804 409341375 /nfs/dbraw/zinc/34/13/75/409341375.db2.gz BUPBFPSAYNBTBK-RYUDHWBXSA-N 1 1 312.757 1.553 20 5 DDBDMO Nc1c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000317069884 164025400 /nfs/dbraw/zinc/02/54/00/164025400.db2.gz JHEDHRGBJPQLLU-LLVKDONJSA-N 1 1 304.350 1.487 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])s1 ZINC000295394486 409463406 /nfs/dbraw/zinc/46/34/06/409463406.db2.gz HWWVGCALLMBTOI-JTQLQIEISA-N 1 1 313.379 1.233 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])s1 ZINC000295394486 409463409 /nfs/dbraw/zinc/46/34/09/409463409.db2.gz HWWVGCALLMBTOI-JTQLQIEISA-N 1 1 313.379 1.233 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])s1 ZINC000295394487 409463792 /nfs/dbraw/zinc/46/37/92/409463792.db2.gz HWWVGCALLMBTOI-SNVBAGLBSA-N 1 1 313.379 1.233 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])s1 ZINC000295394487 409463795 /nfs/dbraw/zinc/46/37/95/409463795.db2.gz HWWVGCALLMBTOI-SNVBAGLBSA-N 1 1 313.379 1.233 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343609418 164087244 /nfs/dbraw/zinc/08/72/44/164087244.db2.gz SJUUGEFOEVFGRD-YPMHNXCESA-N 1 1 306.366 1.877 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000363441652 164160297 /nfs/dbraw/zinc/16/02/97/164160297.db2.gz LNUMVQUBVGJSGL-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356811741 409630657 /nfs/dbraw/zinc/63/06/57/409630657.db2.gz PPHSXLWOGHBMEO-JTQLQIEISA-N 1 1 311.386 1.729 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000357012405 409795190 /nfs/dbraw/zinc/79/51/90/409795190.db2.gz YQJUYRQNWITJOT-STQMWFEESA-N 1 1 320.393 1.866 20 5 DDBDMO CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342799524 409912957 /nfs/dbraw/zinc/91/29/57/409912957.db2.gz WXFXKHQDLSSLFO-ZACCUICWSA-N 1 1 307.354 1.026 20 5 DDBDMO C[N@H+]1CCC[C@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020339 410083206 /nfs/dbraw/zinc/08/32/06/410083206.db2.gz DOYBNTLUUZDOFT-AWEZNQCLSA-N 1 1 319.409 1.596 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000298087957 410107496 /nfs/dbraw/zinc/10/74/96/410107496.db2.gz PZWPFJRQRDEMLI-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298744291 410377008 /nfs/dbraw/zinc/37/70/08/410377008.db2.gz YFYQHFIIBQSOPX-JTQLQIEISA-N 1 1 307.354 1.375 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343460318 410470098 /nfs/dbraw/zinc/47/00/98/410470098.db2.gz SHYHHJKYZNGYOU-RISCZKNCSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343464890 410473170 /nfs/dbraw/zinc/47/31/70/410473170.db2.gz YVUPJVFNUCZCRI-VXGBXAGGSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343427196 410442930 /nfs/dbraw/zinc/44/29/30/410442930.db2.gz DQVDDGJGHLUTHY-JQWIXIFHSA-N 1 1 309.370 1.125 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347394887 410519466 /nfs/dbraw/zinc/51/94/66/410519466.db2.gz XZERFUITGKMYLG-LBPRGKRZSA-N 1 1 306.366 1.727 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000340098173 410675558 /nfs/dbraw/zinc/67/55/58/410675558.db2.gz VVPHIMVYLITDJU-JSGCOSHPSA-N 1 1 320.393 1.919 20 5 DDBDMO COCCC[N@@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352366209 410649902 /nfs/dbraw/zinc/64/99/02/410649902.db2.gz CDORECQOUUVABM-UHFFFAOYSA-N 1 1 318.377 2.523 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000359519365 410705327 /nfs/dbraw/zinc/70/53/27/410705327.db2.gz GUBCRNOIFFYRRX-GFCCVEGCSA-N 1 1 312.276 1.393 20 5 DDBDMO C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000359555598 410728409 /nfs/dbraw/zinc/72/84/09/410728409.db2.gz KRSMRNGVPDYUGD-VHDGCEQUSA-N 1 1 308.382 1.664 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000343829904 410730765 /nfs/dbraw/zinc/73/07/65/410730765.db2.gz NHUCSGXQWPTVRC-IINYFYTJSA-N 1 1 319.361 1.816 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000330559655 410775268 /nfs/dbraw/zinc/77/52/68/410775268.db2.gz HJIUFEVWOKUZIO-NEPJUHHUSA-N 1 1 308.382 1.784 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000330575846 410792109 /nfs/dbraw/zinc/79/21/09/410792109.db2.gz GEEHLZVIRMOIPO-OLZOCXBDSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330612439 410828292 /nfs/dbraw/zinc/82/82/92/410828292.db2.gz QVYINUJPTYCPJK-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236589 410870626 /nfs/dbraw/zinc/87/06/26/410870626.db2.gz SWFCGUJCGKVMOR-RISCZKNCSA-N 1 1 307.350 1.667 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1(O)CCC1 ZINC000353476124 411012403 /nfs/dbraw/zinc/01/24/03/411012403.db2.gz YMUSAGSIPMGPAH-UHFFFAOYSA-N 1 1 308.334 1.808 20 5 DDBDMO Cc1n[nH]c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000331279111 411055287 /nfs/dbraw/zinc/05/52/87/411055287.db2.gz ANEVLITVOWKVMG-UHFFFAOYSA-N 1 1 309.370 1.478 20 5 DDBDMO C[C@@H](O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130782465 196109129 /nfs/dbraw/zinc/10/91/29/196109129.db2.gz KHZHTBNXSASBIW-LLVKDONJSA-N 1 1 304.350 1.808 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731805 225043491 /nfs/dbraw/zinc/04/34/91/225043491.db2.gz ORGDMNPVXXSNTO-NWDGAFQWSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731805 225043494 /nfs/dbraw/zinc/04/34/94/225043494.db2.gz ORGDMNPVXXSNTO-NWDGAFQWSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930635 226591087 /nfs/dbraw/zinc/59/10/87/226591087.db2.gz CRRPVFNDTKNSIB-CHWSQXEVSA-N 1 1 321.377 1.874 20 5 DDBDMO Cc1c(CNC(=O)c2cc(C[NH+](C)C)on2)cccc1[N+](=O)[O-] ZINC000360528113 418456530 /nfs/dbraw/zinc/45/65/30/418456530.db2.gz KOQBPHKPKCTUTC-UHFFFAOYSA-N 1 1 318.333 1.883 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366681726 418504072 /nfs/dbraw/zinc/50/40/72/418504072.db2.gz PKOGVRQQXIYFMY-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360831958 418528109 /nfs/dbraw/zinc/52/81/09/418528109.db2.gz JVFRDCCCWCPGKU-HNNXBMFYSA-N 1 1 315.333 1.297 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375028365 418589806 /nfs/dbraw/zinc/58/98/06/418589806.db2.gz CJZVNEMITLNGDK-BBRMVZONSA-N 1 1 305.378 2.000 20 5 DDBDMO CNc1c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361213712 418606382 /nfs/dbraw/zinc/60/63/82/418606382.db2.gz ZSLLJZIPXDPYSQ-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CNc1c(C(=O)NCC[N@@H+](C)CCCOC)cccc1[N+](=O)[O-] ZINC000361211406 418607170 /nfs/dbraw/zinc/60/71/70/418607170.db2.gz HRXCDNHDTYMMHI-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000367840328 418643910 /nfs/dbraw/zinc/64/39/10/418643910.db2.gz QDSKXAXHFFTWHW-WDEREUQCSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]12 ZINC000367840328 418643913 /nfs/dbraw/zinc/64/39/13/418643913.db2.gz QDSKXAXHFFTWHW-WDEREUQCSA-N 1 1 323.736 1.343 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C1 ZINC000361363412 418635690 /nfs/dbraw/zinc/63/56/90/418635690.db2.gz YPVKYYURTLMUAF-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361788239 418711100 /nfs/dbraw/zinc/71/11/00/418711100.db2.gz QWCLMXTVVGCOAI-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000361557812 418677421 /nfs/dbraw/zinc/67/74/21/418677421.db2.gz STQVQNFRGDYRLD-OAHLLOKOSA-N 1 1 308.382 1.664 20 5 DDBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583628 418686677 /nfs/dbraw/zinc/68/66/77/418686677.db2.gz LPGOJQURIIQLMF-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000361586104 418688205 /nfs/dbraw/zinc/68/82/05/418688205.db2.gz LCDRNXUQOOIHQK-FZMZJTMJSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000361586104 418688208 /nfs/dbraw/zinc/68/82/08/418688208.db2.gz LCDRNXUQOOIHQK-FZMZJTMJSA-N 1 1 310.350 1.575 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000372351424 418860142 /nfs/dbraw/zinc/86/01/42/418860142.db2.gz RXXQAWZWGBXOIU-BPLDGKMQSA-N 1 1 321.377 1.502 20 5 DDBDMO O=C(CC[N@H+](CCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411609675 419360308 /nfs/dbraw/zinc/36/03/08/419360308.db2.gz GELUMFYGFJKOGS-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000426230922 419410633 /nfs/dbraw/zinc/41/06/33/419410633.db2.gz NXMYATSCNFTSJK-CYBMUJFWSA-N 1 1 308.334 1.808 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3CCO)n2)cc1 ZINC000426225411 419413470 /nfs/dbraw/zinc/41/34/70/419413470.db2.gz FBRYOVKMNVMLIP-GFCCVEGCSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000420943350 419372935 /nfs/dbraw/zinc/37/29/35/419372935.db2.gz PSSHVQSGBFTFFP-OLZOCXBDSA-N 1 1 321.377 1.874 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000411913171 419477798 /nfs/dbraw/zinc/47/77/98/419477798.db2.gz REPBQTHQZQZQRY-RYUDHWBXSA-N 1 1 300.742 1.830 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000411913171 419477808 /nfs/dbraw/zinc/47/78/08/419477808.db2.gz REPBQTHQZQZQRY-RYUDHWBXSA-N 1 1 300.742 1.830 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000429364746 420007737 /nfs/dbraw/zinc/00/77/37/420007737.db2.gz SUVKUZGGFQRFTR-STQMWFEESA-N 1 1 310.354 1.311 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000430248471 420096458 /nfs/dbraw/zinc/09/64/58/420096458.db2.gz ZQKRBBPZMZWIOY-BXUZGUMPSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000430248471 420096462 /nfs/dbraw/zinc/09/64/62/420096462.db2.gz ZQKRBBPZMZWIOY-BXUZGUMPSA-N 1 1 310.350 1.575 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288732 420307387 /nfs/dbraw/zinc/30/73/87/420307387.db2.gz DOQBJUWSBCELLG-UWVGGRQHSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000416288732 420307391 /nfs/dbraw/zinc/30/73/91/420307391.db2.gz DOQBJUWSBCELLG-UWVGGRQHSA-N 1 1 313.379 1.183 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420601887 420328089 /nfs/dbraw/zinc/32/80/89/420328089.db2.gz HOMUJZLKNRLVRM-UHFFFAOYSA-N 1 1 317.349 1.725 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000420636989 420335975 /nfs/dbraw/zinc/33/59/75/420335975.db2.gz OCPSXSXTIOJVFG-LLVKDONJSA-N 1 1 317.349 1.774 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000425283122 420337582 /nfs/dbraw/zinc/33/75/82/420337582.db2.gz SRKYUSWDEXNDMR-UHFFFAOYSA-N 1 1 300.384 1.598 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416390676 420352534 /nfs/dbraw/zinc/35/25/34/420352534.db2.gz NQURDFYMIJNNTG-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000439696547 420532606 /nfs/dbraw/zinc/53/26/06/420532606.db2.gz NMXWLNXCBOGLMJ-ZDUSSCGKSA-N 1 1 323.397 1.418 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000457082140 420606163 /nfs/dbraw/zinc/60/61/63/420606163.db2.gz DOWWDCGNNOAHGB-NSHDSACASA-N 1 1 309.370 1.366 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457000397 420584706 /nfs/dbraw/zinc/58/47/06/420584706.db2.gz UQUKUJJLYKIOCC-AWEZNQCLSA-N 1 1 300.318 1.710 20 5 DDBDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000441692433 420660132 /nfs/dbraw/zinc/66/01/32/420660132.db2.gz TUCRKFAXGKSFBY-XNRPHZJLSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCN(C)CC1 ZINC000449220722 420970593 /nfs/dbraw/zinc/97/05/93/420970593.db2.gz RBIBRXNCSCYVNL-OAHLLOKOSA-N 1 1 320.437 1.753 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000487515347 421032428 /nfs/dbraw/zinc/03/24/28/421032428.db2.gz KHQTVVDCKUSRLE-YPMHNXCESA-N 1 1 321.381 1.153 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000524775179 421271126 /nfs/dbraw/zinc/27/11/26/421271126.db2.gz UOMAYEATFSEXHI-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000561929076 421336673 /nfs/dbraw/zinc/33/66/73/421336673.db2.gz KMIJNEZKRMITPO-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000561929076 421336675 /nfs/dbraw/zinc/33/66/75/421336675.db2.gz KMIJNEZKRMITPO-UHFFFAOYSA-N 1 1 319.361 1.985 20 5 DDBDMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551039516 421526360 /nfs/dbraw/zinc/52/63/60/421526360.db2.gz KIGZVAYNNFXMTC-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551039516 421526363 /nfs/dbraw/zinc/52/63/63/421526363.db2.gz KIGZVAYNNFXMTC-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551039516 421526365 /nfs/dbraw/zinc/52/63/65/421526365.db2.gz KIGZVAYNNFXMTC-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000552057576 421571140 /nfs/dbraw/zinc/57/11/40/421571140.db2.gz HQHLMQOZBBQVEX-UHFFFAOYSA-N 1 1 309.370 1.510 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000553785427 421625434 /nfs/dbraw/zinc/62/54/34/421625434.db2.gz ZEFLTRVISQPIRV-YWPYICTPSA-N 1 1 318.377 1.792 20 5 DDBDMO Cc1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000519834654 421733918 /nfs/dbraw/zinc/73/39/18/421733918.db2.gz UNSCGTXPGICSBO-UHFFFAOYSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNCC1([NH3+])CCC1 ZINC000342146784 271318762 /nfs/dbraw/zinc/31/87/62/271318762.db2.gz YUFYPQZVTSZPOD-UHFFFAOYSA-N 1 1 306.366 1.703 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]CC1(N)CCC1 ZINC000342146784 271318764 /nfs/dbraw/zinc/31/87/64/271318764.db2.gz YUFYPQZVTSZPOD-UHFFFAOYSA-N 1 1 306.366 1.703 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344645344 272078622 /nfs/dbraw/zinc/07/86/22/272078622.db2.gz PDSUXDYYEZGEBC-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO COc1cc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])cc1F ZINC000270189700 274096474 /nfs/dbraw/zinc/09/64/74/274096474.db2.gz BOJQOEOINXYOLV-UHFFFAOYSA-N 1 1 313.329 1.247 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000274025843 275041228 /nfs/dbraw/zinc/04/12/28/275041228.db2.gz WMZDQTWLXRGZIE-SMDDNHRTSA-N 1 1 303.366 1.838 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000323707575 298261959 /nfs/dbraw/zinc/26/19/59/298261959.db2.gz JYZZKQMROPUFIJ-INIZCTEOSA-N 1 1 318.377 1.804 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354005080 298337086 /nfs/dbraw/zinc/33/70/86/298337086.db2.gz DWZGMRVZFRCVOQ-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000362985817 300194082 /nfs/dbraw/zinc/19/40/82/300194082.db2.gz JVZOOQBEOJIVBQ-HOTGVXAUSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689685 300296266 /nfs/dbraw/zinc/29/62/66/300296266.db2.gz GWNPRVCFQTYLCF-CHWSQXEVSA-N 1 1 319.361 1.496 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCOC2)O1 ZINC000369546954 301196556 /nfs/dbraw/zinc/19/65/56/301196556.db2.gz RCXPJEHGLQOKPW-JSGCOSHPSA-N 1 1 310.354 1.061 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000370069192 301270028 /nfs/dbraw/zinc/27/00/28/301270028.db2.gz FLFQBASZFWSCDH-LLVKDONJSA-N 1 1 307.350 1.288 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000194741993 302039302 /nfs/dbraw/zinc/03/93/02/302039302.db2.gz LFFMABPVENKYJF-LBPRGKRZSA-N 1 1 321.377 1.601 20 5 DDBDMO Cn1c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000261718217 302894465 /nfs/dbraw/zinc/89/44/65/302894465.db2.gz KYFGEWIISAVGNM-CYBMUJFWSA-N 1 1 315.333 1.115 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000362394291 307020745 /nfs/dbraw/zinc/02/07/45/307020745.db2.gz CDKPKVFWHYTGSH-NSHDSACASA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362394291 307020746 /nfs/dbraw/zinc/02/07/46/307020746.db2.gz CDKPKVFWHYTGSH-NSHDSACASA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCCCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000362394291 307020747 /nfs/dbraw/zinc/02/07/47/307020747.db2.gz CDKPKVFWHYTGSH-NSHDSACASA-N 1 1 321.381 1.845 20 5 DDBDMO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004144 307114235 /nfs/dbraw/zinc/11/42/35/307114235.db2.gz YNPZAOVNUMJLEU-NWDGAFQWSA-N 1 1 308.338 1.381 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)[C@H]2C1 ZINC000378507648 307290532 /nfs/dbraw/zinc/29/05/32/307290532.db2.gz WPDYHAQXBHKEEU-MNOVXSKESA-N 1 1 302.338 1.168 20 5 DDBDMO C[N@@H+](C[C@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000566123491 308044751 /nfs/dbraw/zinc/04/47/51/308044751.db2.gz AOVVYQFFGCWJEE-GFCCVEGCSA-N 1 1 319.365 1.016 20 5 DDBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000567176324 308074841 /nfs/dbraw/zinc/07/48/41/308074841.db2.gz AZCQIZKGPYUVKF-UHFFFAOYSA-N 1 1 303.366 1.997 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452184214 533711448 /nfs/dbraw/zinc/71/14/48/533711448.db2.gz RFGYLYCKLAEGKR-WFASDCNBSA-N 1 1 318.377 1.162 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000583297394 337310425 /nfs/dbraw/zinc/31/04/25/337310425.db2.gz NAOHQUOZQUUEEZ-BETUJISGSA-N 1 1 319.361 1.166 20 5 DDBDMO Cc1nc(N(C)CCC[N@H+](C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000295697469 534437488 /nfs/dbraw/zinc/43/74/88/534437488.db2.gz PJQRESKUFLZODZ-UHFFFAOYSA-N 1 1 310.402 1.013 20 5 DDBDMO Cc1nc(N(C)CCCN(C)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000295697469 534437490 /nfs/dbraw/zinc/43/74/90/534437490.db2.gz PJQRESKUFLZODZ-UHFFFAOYSA-N 1 1 310.402 1.013 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458170298 528546766 /nfs/dbraw/zinc/54/67/66/528546766.db2.gz OYNHISMMELOEER-NSHDSACASA-N 1 1 323.397 1.732 20 5 DDBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299112302 528563589 /nfs/dbraw/zinc/56/35/89/528563589.db2.gz BBYREDCMIZROPH-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299112302 528563592 /nfs/dbraw/zinc/56/35/92/528563592.db2.gz BBYREDCMIZROPH-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000294776213 529148642 /nfs/dbraw/zinc/14/86/42/529148642.db2.gz ABILGWYCHUZBHU-GFCCVEGCSA-N 1 1 322.413 1.379 20 5 DDBDMO C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000820668795 599589775 /nfs/dbraw/zinc/58/97/75/599589775.db2.gz WOKYVNOMPPLBJS-GXSJLCMTSA-N 1 1 317.353 1.670 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000797629531 700016900 /nfs/dbraw/zinc/01/69/00/700016900.db2.gz IJFIABWWFUKEQJ-ZDUSSCGKSA-N 1 1 321.377 1.883 20 5 DDBDMO CCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000069062429 696380016 /nfs/dbraw/zinc/38/00/16/696380016.db2.gz RMMZKAFAFWPNNB-OAHLLOKOSA-N 1 1 320.349 1.661 20 5 DDBDMO CCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000069062429 696380017 /nfs/dbraw/zinc/38/00/17/696380017.db2.gz RMMZKAFAFWPNNB-OAHLLOKOSA-N 1 1 320.349 1.661 20 5 DDBDMO C[C@H]1COCCC[N@@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000772826074 697682979 /nfs/dbraw/zinc/68/29/79/697682979.db2.gz RSFAERWGQRQWGE-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@H]1COCCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000772826074 697682981 /nfs/dbraw/zinc/68/29/81/697682981.db2.gz RSFAERWGQRQWGE-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCOC2)c2ncc([N+](=O)[O-])cc12 ZINC000749951791 700193782 /nfs/dbraw/zinc/19/37/82/700193782.db2.gz CVHUJLKVBKSUPM-GFCCVEGCSA-N 1 1 319.365 1.964 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000775777999 698031523 /nfs/dbraw/zinc/03/15/23/698031523.db2.gz STIZPTWHCBAIMG-CQSZACIVSA-N 1 1 316.317 1.182 20 5 DDBDMO NC(=O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776581531 698120847 /nfs/dbraw/zinc/12/08/47/698120847.db2.gz JRXZQWUDTBNCMZ-AWEZNQCLSA-N 1 1 307.350 1.358 20 5 DDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583017 698121406 /nfs/dbraw/zinc/12/14/06/698121406.db2.gz YNVFMJQMUPIYEW-SWLSCSKDSA-N 1 1 321.377 1.606 20 5 DDBDMO CCOCCO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592137 698123602 /nfs/dbraw/zinc/12/36/02/698123602.db2.gz YZRRWJVICUUHRF-HOTGVXAUSA-N 1 1 324.377 1.756 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000750095183 700203572 /nfs/dbraw/zinc/20/35/72/700203572.db2.gz WHGSUHRSMZVIKW-UONOGXRCSA-N 1 1 312.391 1.428 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000779708789 698455181 /nfs/dbraw/zinc/45/51/81/698455181.db2.gz XYWHYOGIKJSHCV-RYUDHWBXSA-N 1 1 319.365 1.134 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000782524606 698734438 /nfs/dbraw/zinc/73/44/38/698734438.db2.gz OMGPJTVWRLUXRF-NOZJJQNGSA-N 1 1 311.313 1.375 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865490 699719581 /nfs/dbraw/zinc/71/95/81/699719581.db2.gz CALJQEVQJMMQGM-KOLCDFICSA-N 1 1 322.321 1.589 20 5 DDBDMO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742197693 699865600 /nfs/dbraw/zinc/86/56/00/699865600.db2.gz YBXJLCMDJUVXDY-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742197693 699865602 /nfs/dbraw/zinc/86/56/02/699865602.db2.gz YBXJLCMDJUVXDY-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000795751076 699889625 /nfs/dbraw/zinc/88/96/25/699889625.db2.gz VLAISABETZSMLS-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000795751076 699889627 /nfs/dbraw/zinc/88/96/27/699889627.db2.gz VLAISABETZSMLS-NSHDSACASA-N 1 1 305.338 1.778 20 5 DDBDMO C[C@@H]1CN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000801600085 700326395 /nfs/dbraw/zinc/32/63/95/700326395.db2.gz LAHKDRZCUYEQMR-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000801600085 700326399 /nfs/dbraw/zinc/32/63/99/700326399.db2.gz LAHKDRZCUYEQMR-CYBMUJFWSA-N 1 1 321.377 1.316 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C ZINC000754227530 700490740 /nfs/dbraw/zinc/49/07/40/700490740.db2.gz ZFNMQHCAFNPXMS-LBPRGKRZSA-N 1 1 320.393 1.827 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C ZINC000754227530 700490741 /nfs/dbraw/zinc/49/07/41/700490741.db2.gz ZFNMQHCAFNPXMS-LBPRGKRZSA-N 1 1 320.393 1.827 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC(F)(F)CO)CC2)cc1 ZINC000768284321 701166410 /nfs/dbraw/zinc/16/64/10/701166410.db2.gz BZDAELCOTLAEKP-UHFFFAOYSA-N 1 1 315.320 1.781 20 5 DDBDMO C[C@H]1COCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769455705 701245551 /nfs/dbraw/zinc/24/55/51/701245551.db2.gz JGOJHZGUOCIRIB-LLVKDONJSA-N 1 1 308.334 1.834 20 5 DDBDMO C[C@H]1COCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000769455705 701245552 /nfs/dbraw/zinc/24/55/52/701245552.db2.gz JGOJHZGUOCIRIB-LLVKDONJSA-N 1 1 308.334 1.834 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)ccc1[N+](=O)[O-] ZINC000830916915 706602301 /nfs/dbraw/zinc/60/23/01/706602301.db2.gz UUSLSKBJQCYXGD-NEPJUHHUSA-N 1 1 321.333 1.534 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)ccc1[N+](=O)[O-] ZINC000830916915 706602305 /nfs/dbraw/zinc/60/23/05/706602305.db2.gz UUSLSKBJQCYXGD-NEPJUHHUSA-N 1 1 321.333 1.534 20 5 DDBDMO O=[N+]([O-])c1c(N2CCN(c3[nH]cc[nH+]3)CC2)nc2ccccn21 ZINC000808049959 701495590 /nfs/dbraw/zinc/49/55/90/701495590.db2.gz LXEHLVVDFMBLFK-UHFFFAOYSA-N 1 1 313.321 1.292 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](CC(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000808228546 701509478 /nfs/dbraw/zinc/50/94/78/701509478.db2.gz UJQJWKNSMJSNOM-LLVKDONJSA-N 1 1 317.349 1.408 20 5 DDBDMO CN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000866068640 706609915 /nfs/dbraw/zinc/60/99/15/706609915.db2.gz USDYQXYNGYMQJF-GFCCVEGCSA-N 1 1 309.341 1.829 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866113951 706622371 /nfs/dbraw/zinc/62/23/71/706622371.db2.gz FQYCWNMXJYSSBS-UHFFFAOYSA-N 1 1 320.393 1.875 20 5 DDBDMO COCCC[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839972710 701885095 /nfs/dbraw/zinc/88/50/95/701885095.db2.gz GOONXQWWHOLFRL-OAHLLOKOSA-N 1 1 323.349 1.458 20 5 DDBDMO COCCC[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000839972710 701885100 /nfs/dbraw/zinc/88/51/00/701885100.db2.gz GOONXQWWHOLFRL-OAHLLOKOSA-N 1 1 323.349 1.458 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)CC[C@H]21 ZINC000866205260 706647968 /nfs/dbraw/zinc/64/79/68/706647968.db2.gz KSZXBAMMVLAMDL-GHMZBOCLSA-N 1 1 302.338 1.168 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)c1 ZINC000842568124 702734054 /nfs/dbraw/zinc/73/40/54/702734054.db2.gz HJTIGWHTGYWFFU-GFCCVEGCSA-N 1 1 304.306 1.913 20 5 DDBDMO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347176 702863587 /nfs/dbraw/zinc/86/35/87/702863587.db2.gz BOFZFMKBLXRCEX-LLVKDONJSA-N 1 1 324.356 1.733 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000843797211 702925776 /nfs/dbraw/zinc/92/57/76/702925776.db2.gz YDSLDZJGIKWOPH-LLVKDONJSA-N 1 1 324.356 1.018 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000843797211 702925778 /nfs/dbraw/zinc/92/57/78/702925778.db2.gz YDSLDZJGIKWOPH-LLVKDONJSA-N 1 1 324.356 1.018 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000879583219 706727647 /nfs/dbraw/zinc/72/76/47/706727647.db2.gz WQDKDLMIMHYUNA-XHDPSFHLSA-N 1 1 315.377 1.997 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000848659581 703572909 /nfs/dbraw/zinc/57/29/09/703572909.db2.gz MPSLQAVJWCFHTJ-NWDGAFQWSA-N 1 1 307.350 1.879 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694144 706763005 /nfs/dbraw/zinc/76/30/05/706763005.db2.gz SYWBHMBENMPIHT-OKILXGFUSA-N 1 1 324.377 1.415 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879694144 706763008 /nfs/dbraw/zinc/76/30/08/706763008.db2.gz SYWBHMBENMPIHT-OKILXGFUSA-N 1 1 324.377 1.415 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000852432979 704045801 /nfs/dbraw/zinc/04/58/01/704045801.db2.gz RLOCQGLIALVUOU-CYBMUJFWSA-N 1 1 321.333 1.500 20 5 DDBDMO CCc1nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)co1 ZINC000819353237 704111789 /nfs/dbraw/zinc/11/17/89/704111789.db2.gz AZBYNRBHPKWSRE-ZDUSSCGKSA-N 1 1 321.333 1.675 20 5 DDBDMO C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000871153270 704232663 /nfs/dbraw/zinc/23/26/63/704232663.db2.gz JEVIZJXTOZBUTG-UHFFFAOYSA-N 1 1 323.397 1.469 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000823468832 705249633 /nfs/dbraw/zinc/24/96/33/705249633.db2.gz LIBKLMXKOFIXLQ-GJZGRUSLSA-N 1 1 317.349 1.557 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000823469101 705250279 /nfs/dbraw/zinc/25/02/79/705250279.db2.gz OQPLJUWJXPHQFP-HUUCEWRRSA-N 1 1 317.349 1.557 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000824369054 705437854 /nfs/dbraw/zinc/43/78/54/705437854.db2.gz VANYXIZMURAWIG-QWHCGFSZSA-N 1 1 321.381 1.233 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615413 705703571 /nfs/dbraw/zinc/70/35/71/705703571.db2.gz VOVQYDSIGGGLGZ-RISCZKNCSA-N 1 1 309.366 1.475 20 5 DDBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000825909630 705744409 /nfs/dbraw/zinc/74/44/09/705744409.db2.gz DEJIIQGXFPDZTL-OAHLLOKOSA-N 1 1 319.361 1.325 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000876656505 705805501 /nfs/dbraw/zinc/80/55/01/705805501.db2.gz CDLKPDOTIQHUON-UHFFFAOYSA-N 1 1 306.366 1.798 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827371931 705988354 /nfs/dbraw/zinc/98/83/54/705988354.db2.gz BELWJINKVDYOSD-DGCLKSJQSA-N 1 1 304.350 1.343 20 5 DDBDMO C[C@H]1C[C@@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000877831479 706226900 /nfs/dbraw/zinc/22/69/00/706226900.db2.gz UXWOMRDUAOLYJZ-DDUYRFODSA-N 1 1 323.393 1.061 20 5 DDBDMO C[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000877831479 706226902 /nfs/dbraw/zinc/22/69/02/706226902.db2.gz UXWOMRDUAOLYJZ-DDUYRFODSA-N 1 1 323.393 1.061 20 5 DDBDMO COc1ccc(CN[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865659729 706489844 /nfs/dbraw/zinc/48/98/44/706489844.db2.gz QRTVZFLOHHIXJY-ZDUSSCGKSA-N 1 1 323.393 1.538 20 5 DDBDMO COc1ccc(CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000865659729 706489846 /nfs/dbraw/zinc/48/98/46/706489846.db2.gz QRTVZFLOHHIXJY-ZDUSSCGKSA-N 1 1 323.393 1.538 20 5 DDBDMO COC(=O)Cc1ccc(N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000865914255 706562864 /nfs/dbraw/zinc/56/28/64/706562864.db2.gz HLVPHKWSLMSRQS-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H](C(F)(F)F)O1 ZINC000880059589 706866741 /nfs/dbraw/zinc/86/67/41/706866741.db2.gz JKGZKGXQDKMUFS-MWLCHTKSSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H](C(F)(F)F)O1 ZINC000880059589 706866743 /nfs/dbraw/zinc/86/67/43/706866743.db2.gz JKGZKGXQDKMUFS-MWLCHTKSSA-N 1 1 322.287 1.833 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000880329003 706941671 /nfs/dbraw/zinc/94/16/71/706941671.db2.gz GTPWYVFHZAJTRP-FZMZJTMJSA-N 1 1 308.338 1.103 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880426000 706970384 /nfs/dbraw/zinc/97/03/84/706970384.db2.gz RFROUJYYEIGOJR-ZFWWWQNUSA-N 1 1 310.350 1.839 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832913229 706997613 /nfs/dbraw/zinc/99/76/13/706997613.db2.gz YFGLIFYVVRURHO-VNHYZAJKSA-N 1 1 319.361 1.038 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880529349 707005730 /nfs/dbraw/zinc/00/57/30/707005730.db2.gz ALMXZUWXDKTOLB-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]12 ZINC000880529349 707005735 /nfs/dbraw/zinc/00/57/35/707005735.db2.gz ALMXZUWXDKTOLB-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880588941 707029593 /nfs/dbraw/zinc/02/95/93/707029593.db2.gz IHZLLMMHDCDIJF-OAHLLOKOSA-N 1 1 306.362 1.958 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872786757 707601966 /nfs/dbraw/zinc/60/19/66/707601966.db2.gz RRJFGRKRDTUVPX-OKILXGFUSA-N 1 1 314.345 1.994 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837475165 707658764 /nfs/dbraw/zinc/65/87/64/707658764.db2.gz HFUJIGSGAJZUNG-ZDUSSCGKSA-N 1 1 324.381 1.906 20 5 DDBDMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000838901074 707999705 /nfs/dbraw/zinc/99/97/05/707999705.db2.gz NQUGYQYYEVQNML-UHFFFAOYSA-N 1 1 303.362 1.965 20 5 DDBDMO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619911 708099083 /nfs/dbraw/zinc/09/90/83/708099083.db2.gz OMGMOUBJDIKLFS-RYUDHWBXSA-N 1 1 306.366 1.702 20 5 DDBDMO CC(=O)c1cc(N2CCN(C)CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000897094874 708228324 /nfs/dbraw/zinc/22/83/24/708228324.db2.gz OCBQYMDMMYSUOX-UHFFFAOYSA-N 1 1 320.393 1.481 20 5 DDBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886250007 708725366 /nfs/dbraw/zinc/72/53/66/708725366.db2.gz YHQBNOYWQHKNCP-CQSZACIVSA-N 1 1 318.377 1.967 20 5 DDBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886250007 708725368 /nfs/dbraw/zinc/72/53/68/708725368.db2.gz YHQBNOYWQHKNCP-CQSZACIVSA-N 1 1 318.377 1.967 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886572806 708778852 /nfs/dbraw/zinc/77/88/52/708778852.db2.gz BBEOHPVSADQTOP-LNSITVRQSA-N 1 1 320.345 1.584 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887933441 709170340 /nfs/dbraw/zinc/17/03/40/709170340.db2.gz RGZRKVDNHGABFY-ABAIWWIYSA-N 1 1 307.325 1.758 20 5 DDBDMO O=C(Cc1c[nH]cn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899941794 709244663 /nfs/dbraw/zinc/24/46/63/709244663.db2.gz KZIGLUVPFUNHSU-UHFFFAOYSA-N 1 1 315.333 1.209 20 5 DDBDMO C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000900267396 709512611 /nfs/dbraw/zinc/51/26/11/709512611.db2.gz FHEOPOIWAPHJJS-WBMJQRKESA-N 1 1 321.377 1.619 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893133767 710559713 /nfs/dbraw/zinc/55/97/13/710559713.db2.gz COJGWQMCISCXIG-GXFFZTMASA-N 1 1 321.377 1.881 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893133767 710559714 /nfs/dbraw/zinc/55/97/14/710559714.db2.gz COJGWQMCISCXIG-GXFFZTMASA-N 1 1 321.377 1.881 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893266681 710583034 /nfs/dbraw/zinc/58/30/34/710583034.db2.gz SQKMOQGANXGWNB-DZGCQCFKSA-N 1 1 318.377 1.483 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOC(=O)c2cc([N+](=O)[O-])cn2C)CCO1 ZINC000893390495 710631469 /nfs/dbraw/zinc/63/14/69/710631469.db2.gz GXCKKOTVHSKIJJ-LLVKDONJSA-N 1 1 311.338 1.201 20 5 DDBDMO COc1cc([C@@H](C)NC[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091852 711029863 /nfs/dbraw/zinc/02/98/63/711029863.db2.gz BMJJVKYGMXKSJU-IUODEOHRSA-N 1 1 322.409 1.500 20 5 DDBDMO COc1cc([C@@H](C)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000903091852 711029866 /nfs/dbraw/zinc/02/98/66/711029866.db2.gz BMJJVKYGMXKSJU-IUODEOHRSA-N 1 1 322.409 1.500 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc4nonc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000895021672 711372909 /nfs/dbraw/zinc/37/29/09/711372909.db2.gz HUOXPPDSBAEUGC-KOLCDFICSA-N 1 1 303.322 1.661 20 5 DDBDMO Cn1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895645424 711567870 /nfs/dbraw/zinc/56/78/70/711567870.db2.gz BYDIDGHSTNMBGT-BBRMVZONSA-N 1 1 314.345 1.562 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000896282430 711700602 /nfs/dbraw/zinc/70/06/02/711700602.db2.gz NLZLSFFHEUXVDV-CQSZACIVSA-N 1 1 321.377 1.963 20 5 DDBDMO Cc1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000913754687 713295781 /nfs/dbraw/zinc/29/57/81/713295781.db2.gz VBTMVXDEMMVSLV-INIZCTEOSA-N 1 1 321.377 1.366 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908268227 712724901 /nfs/dbraw/zinc/72/49/01/712724901.db2.gz MKSRLDMSBHRVMF-ZDUSSCGKSA-N 1 1 319.361 1.871 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000930914220 713957088 /nfs/dbraw/zinc/95/70/88/713957088.db2.gz GWZRQAHPYKHLRD-UPJWGTAASA-N 1 1 321.377 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459853 714102681 /nfs/dbraw/zinc/10/26/81/714102681.db2.gz BEZZIGKDRYGVHU-YGRLFVJLSA-N 1 1 302.334 1.971 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2c[nH]nc21 ZINC000931459853 714102683 /nfs/dbraw/zinc/10/26/83/714102683.db2.gz BEZZIGKDRYGVHU-YGRLFVJLSA-N 1 1 302.334 1.971 20 5 DDBDMO COC1(OC)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931639127 714146454 /nfs/dbraw/zinc/14/64/54/714146454.db2.gz HRXSNKGRYHOMBD-FZMZJTMJSA-N 1 1 310.350 1.712 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923264705 714289310 /nfs/dbraw/zinc/28/93/10/714289310.db2.gz MFRKESDBCRHWAF-CFVMTHIKSA-N 1 1 319.361 1.323 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932351650 714316728 /nfs/dbraw/zinc/31/67/28/714316728.db2.gz CFLFOTSEDWCKOM-ZDUSSCGKSA-N 1 1 302.338 1.631 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580220 714858015 /nfs/dbraw/zinc/85/80/15/714858015.db2.gz XDEASSXBUQIEQA-QWHCGFSZSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580220 714858017 /nfs/dbraw/zinc/85/80/17/714858017.db2.gz XDEASSXBUQIEQA-QWHCGFSZSA-N 1 1 311.313 1.328 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)n1 ZINC000934838777 714914312 /nfs/dbraw/zinc/91/43/12/714914312.db2.gz OZFOKYWGXRIRGD-KGLIPLIRSA-N 1 1 308.382 1.930 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164638892 719217004 /nfs/dbraw/zinc/21/70/04/719217004.db2.gz PSXUZRQZNFFMPY-IUCAKERBSA-N 1 1 300.746 1.410 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001164638892 719217005 /nfs/dbraw/zinc/21/70/05/719217005.db2.gz PSXUZRQZNFFMPY-IUCAKERBSA-N 1 1 300.746 1.410 20 5 DDBDMO O=[N+]([O-])c1cccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164966171 722069232 /nfs/dbraw/zinc/06/92/32/722069232.db2.gz WOLSHURQEQEZFG-BETUJISGSA-N 1 1 304.350 1.289 20 5 DDBDMO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)CC1 ZINC001025799448 736859492 /nfs/dbraw/zinc/85/94/92/736859492.db2.gz LCGVNKGNTNZPAF-FICVDOATSA-N 1 1 315.373 1.941 20 5 DDBDMO CCN(CCNC(=O)Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001100734458 736498535 /nfs/dbraw/zinc/49/85/35/736498535.db2.gz DEQQVXPHAVNXGA-UHFFFAOYSA-N 1 1 317.349 1.503 20 5 DDBDMO CC(C)Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126938689 742863359 /nfs/dbraw/zinc/86/33/59/742863359.db2.gz GYTXICPYXKLELM-HZPDHXFCSA-N 1 1 319.405 1.756 20 5 DDBDMO CNC(=O)c1ccc(NCc2[nH]c(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001187662966 744589013 /nfs/dbraw/zinc/58/90/13/744589013.db2.gz QLEFSSRRCGCMLV-UHFFFAOYSA-N 1 1 303.322 1.906 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001193897165 746231024 /nfs/dbraw/zinc/23/10/24/746231024.db2.gz BKEPZGVATJVOPQ-MNOVXSKESA-N 1 1 318.333 1.848 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996428722 749587171 /nfs/dbraw/zinc/58/71/71/749587171.db2.gz GSNZEELMGPMOET-HUUCEWRRSA-N 1 1 303.362 1.432 20 5 DDBDMO CCOC(=O)C1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168960762 762154765 /nfs/dbraw/zinc/15/47/65/762154765.db2.gz GYLJWYWSVPWPLJ-NWDGAFQWSA-N 1 1 300.355 1.134 20 5 DDBDMO COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054470 762209478 /nfs/dbraw/zinc/20/94/78/762209478.db2.gz MEGADDRCOXJBCA-UMVBOHGHSA-N 1 1 321.377 1.989 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363277 761492531 /nfs/dbraw/zinc/49/25/31/761492531.db2.gz LMJRTKWALNSUDE-HJQYOEGKSA-N 1 1 317.336 1.181 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCC(F)(F)F)CC1 ZINC001045437231 766306351 /nfs/dbraw/zinc/30/63/51/766306351.db2.gz JBGLMSLTUQXIDC-NXEZZACHSA-N 1 1 323.315 1.575 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093788017 775079580 /nfs/dbraw/zinc/07/95/80/775079580.db2.gz SJYWPHJUVMPSJX-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001171936517 776536965 /nfs/dbraw/zinc/53/69/65/776536965.db2.gz BKJLBXHVRVZDOR-CLWVCHIJSA-N 1 1 306.362 1.721 20 5 DDBDMO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC001175324170 777750451 /nfs/dbraw/zinc/75/04/51/777750451.db2.gz SRITZCBTPWUQQA-INIZCTEOSA-N 1 1 316.361 1.999 20 5 DDBDMO C[N@H+](CCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001266260368 836001893 /nfs/dbraw/zinc/00/18/93/836001893.db2.gz OMJCHRAJLLENAU-UHFFFAOYSA-N 1 1 320.374 1.913 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001266260368 836001899 /nfs/dbraw/zinc/00/18/99/836001899.db2.gz OMJCHRAJLLENAU-UHFFFAOYSA-N 1 1 320.374 1.913 20 5 DDBDMO CCOCCC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001268702875 840689623 /nfs/dbraw/zinc/68/96/23/840689623.db2.gz GUFRSZCWCWGILV-UHFFFAOYSA-N 1 1 321.377 1.569 20 5 DDBDMO Nc1ccc[nH+]c1N1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001154782777 861449810 /nfs/dbraw/zinc/44/98/10/861449810.db2.gz YPPULBNXILWIHP-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975895 859507005 /nfs/dbraw/zinc/50/70/05/859507005.db2.gz GUSQVLAMRAVGBN-JMSVASOKSA-N 1 1 318.377 1.160 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001124003008 859518814 /nfs/dbraw/zinc/51/88/14/859518814.db2.gz LTZJFFNLQYMPOH-TUKIKUTGSA-N 1 1 303.362 1.973 20 5 DDBDMO C[N@H+]1CCC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224986809 881625218 /nfs/dbraw/zinc/62/52/18/881625218.db2.gz KKFKGSNVSNHFBG-CQSZACIVSA-N 1 1 308.334 1.749 20 5 DDBDMO O=C(NCCC[NH2+]Cc1cc(F)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001157761361 864111431 /nfs/dbraw/zinc/11/14/31/864111431.db2.gz PHSPFPWXOBFTBR-DGCLKSJQSA-N 1 1 313.304 1.226 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001333928905 867163830 /nfs/dbraw/zinc/16/38/30/867163830.db2.gz CHOLDMWUMQRXEE-QJPTWQEYSA-N 1 1 321.381 1.429 20 5 DDBDMO COCC[NH+](CCOC)C1CN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC001336663228 869079730 /nfs/dbraw/zinc/07/97/30/869079730.db2.gz ATAPVBWIUWCZBW-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO CC(=O)c1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727477 869112372 /nfs/dbraw/zinc/11/23/72/869112372.db2.gz WLMFEQYQKCLRNX-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727477 869112374 /nfs/dbraw/zinc/11/23/74/869112374.db2.gz WLMFEQYQKCLRNX-BZNIZROVSA-N 1 1 320.393 1.844 20 5 DDBDMO C[C@H](CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001336754487 869125429 /nfs/dbraw/zinc/12/54/29/869125429.db2.gz LRQAONLEWKGULJ-CHWSQXEVSA-N 1 1 311.382 1.264 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001338083762 869791099 /nfs/dbraw/zinc/79/10/99/869791099.db2.gz JKWFCLSDLNHXRD-JQWIXIFHSA-N 1 1 309.370 1.045 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@H]2C1 ZINC001338298784 869909790 /nfs/dbraw/zinc/90/97/90/869909790.db2.gz WFESJUUPYXEGOR-GUBZILKMSA-N 1 1 303.322 1.883 20 5 DDBDMO COc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001339318230 870444442 /nfs/dbraw/zinc/44/44/42/870444442.db2.gz SPVRSVWKEFGSQB-YNEHKIRRSA-N 1 1 319.361 1.673 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(F)(F)CC1 ZINC001317447912 870856235 /nfs/dbraw/zinc/85/62/35/870856235.db2.gz JETBOLONZHRBEX-VXGBXAGGSA-N 1 1 319.352 1.525 20 5 DDBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC(F)(F)CC1 ZINC001317447912 870856247 /nfs/dbraw/zinc/85/62/47/870856247.db2.gz JETBOLONZHRBEX-VXGBXAGGSA-N 1 1 319.352 1.525 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC(F)(F)CC1 ZINC001317447912 870856249 /nfs/dbraw/zinc/85/62/49/870856249.db2.gz JETBOLONZHRBEX-VXGBXAGGSA-N 1 1 319.352 1.525 20 5 DDBDMO CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230710 871448931 /nfs/dbraw/zinc/44/89/31/871448931.db2.gz TZDBDLWHBBQMRR-HUUCEWRRSA-N 1 1 311.426 1.916 20 5 DDBDMO CC1(C)C[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC001307740900 871449799 /nfs/dbraw/zinc/44/97/99/871449799.db2.gz JUMIOICVQZMKOO-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1O ZINC001307740900 871449808 /nfs/dbraw/zinc/44/98/08/871449808.db2.gz JUMIOICVQZMKOO-LBPRGKRZSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001318915631 872344076 /nfs/dbraw/zinc/34/40/76/872344076.db2.gz UHMMEJDIGJKMDO-UHFFFAOYSA-N 1 1 320.305 1.413 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001345491710 873422012 /nfs/dbraw/zinc/42/20/12/873422012.db2.gz PILBQZUMSUJYME-FZMZJTMJSA-N 1 1 304.350 1.230 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001347539441 874178618 /nfs/dbraw/zinc/17/86/18/874178618.db2.gz KYJTWLVQHSFMKV-XDTLVQLUSA-N 1 1 307.325 1.804 20 5 DDBDMO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001348844304 874824580 /nfs/dbraw/zinc/82/45/80/874824580.db2.gz VKRASQWFNKADNG-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349853100 875414455 /nfs/dbraw/zinc/41/44/55/875414455.db2.gz RYOREFOJXUUJMS-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001350089626 875531039 /nfs/dbraw/zinc/53/10/39/875531039.db2.gz VSHCNEHRKXSEJC-NWANDNLSSA-N 1 1 303.362 1.594 20 5 DDBDMO COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001227297246 882958204 /nfs/dbraw/zinc/95/82/04/882958204.db2.gz BLMSCNPLDIMXFB-GFCCVEGCSA-N 1 1 324.333 1.481 20 5 DDBDMO Cc1ccc2nc(=O)[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2c1 ZINC001227351925 882982105 /nfs/dbraw/zinc/98/21/05/882982105.db2.gz VJGRGAACRCBBNA-LLVKDONJSA-O 1 1 320.369 1.006 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227541853 883070695 /nfs/dbraw/zinc/07/06/95/883070695.db2.gz PPPLISHBSWPJGD-QMMMGPOBSA-N 1 1 300.336 1.916 20 5 DDBDMO Cn1c(C[N+](=O)[O-])nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001355419440 878548968 /nfs/dbraw/zinc/54/89/68/878548968.db2.gz GXGAYBNLNBFNEK-UHFFFAOYSA-N 1 1 308.386 1.047 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC001358285539 880390890 /nfs/dbraw/zinc/39/08/90/880390890.db2.gz DVLSJANIDIXTLC-GFCCVEGCSA-N 1 1 315.333 1.115 20 5 DDBDMO CC[N@@H+]1CC[C@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808572 883680057 /nfs/dbraw/zinc/68/00/57/883680057.db2.gz CBCBNWVUYDESCG-VIFPVBQESA-N 1 1 310.306 1.560 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808572 883680060 /nfs/dbraw/zinc/68/00/60/883680060.db2.gz CBCBNWVUYDESCG-VIFPVBQESA-N 1 1 310.306 1.560 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229492565 884008847 /nfs/dbraw/zinc/00/88/47/884008847.db2.gz YFRTWXNELOECQO-LLVKDONJSA-N 1 1 307.306 1.836 20 5 DDBDMO CCc1[nH+]ccn1Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247148540 893125275 /nfs/dbraw/zinc/12/52/75/893125275.db2.gz ZPPWQJIRKRXGAN-UHFFFAOYSA-N 1 1 318.268 1.986 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001254553475 896498306 /nfs/dbraw/zinc/49/83/06/896498306.db2.gz VQMKCQCKIIQZBL-UTJXIGIESA-N 1 1 320.389 1.998 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001254553475 896498314 /nfs/dbraw/zinc/49/83/14/896498314.db2.gz VQMKCQCKIIQZBL-UTJXIGIESA-N 1 1 320.389 1.998 20 5 DDBDMO COC(=O)CO[C@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254571274 896508493 /nfs/dbraw/zinc/50/84/93/896508493.db2.gz RMMZAFRBWLVADD-OCCSQVGLSA-N 1 1 322.361 1.790 20 5 DDBDMO C[N@@H+](CCN1CCOCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254599664 896524536 /nfs/dbraw/zinc/52/45/36/896524536.db2.gz OFHWZAYEFUHVMX-MRXNPFEDSA-N 1 1 305.378 1.326 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001264010867 900870610 /nfs/dbraw/zinc/87/06/10/900870610.db2.gz NJRNUDUVJQDELV-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248996248 282125504 /nfs/dbraw/zinc/12/55/04/282125504.db2.gz YBIRJTVNFNXFHY-YGRLFVJLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248996248 282125505 /nfs/dbraw/zinc/12/55/05/282125505.db2.gz YBIRJTVNFNXFHY-YGRLFVJLSA-N 1 1 323.349 1.245 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000278566924 214242791 /nfs/dbraw/zinc/24/27/91/214242791.db2.gz FXXLMNDPFYOIMT-AWEZNQCLSA-N 1 1 304.350 1.780 20 5 DDBDMO CC[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295626688 529382870 /nfs/dbraw/zinc/38/28/70/529382870.db2.gz FNDFZSDHFYNVLT-LLVKDONJSA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295626688 529382874 /nfs/dbraw/zinc/38/28/74/529382874.db2.gz FNDFZSDHFYNVLT-LLVKDONJSA-N 1 1 306.322 1.848 20 5 DDBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000452102745 231301493 /nfs/dbraw/zinc/30/14/93/231301493.db2.gz LCHQKLZGTLFAJK-GFCCVEGCSA-N 1 1 321.377 1.942 20 5 DDBDMO C[N@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517853 185299884 /nfs/dbraw/zinc/29/98/84/185299884.db2.gz HYLMZLSMASNSGA-UHFFFAOYSA-N 1 1 301.346 1.931 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432313338 529911902 /nfs/dbraw/zinc/91/19/02/529911902.db2.gz NBLGPZPALVHWKX-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000330860128 232119306 /nfs/dbraw/zinc/11/93/06/232119306.db2.gz VWMOXXFDSLBUBO-RDBSUJKOSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330860128 232119308 /nfs/dbraw/zinc/11/93/08/232119308.db2.gz VWMOXXFDSLBUBO-RDBSUJKOSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330860128 232119311 /nfs/dbraw/zinc/11/93/11/232119311.db2.gz VWMOXXFDSLBUBO-RDBSUJKOSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272670163 210074606 /nfs/dbraw/zinc/07/46/06/210074606.db2.gz IRMJIGQWFFQMCZ-GFCCVEGCSA-N 1 1 303.362 1.904 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000459597740 233351182 /nfs/dbraw/zinc/35/11/82/233351182.db2.gz PJNJWTWOOVVFHP-KFWWJZLASA-N 1 1 316.361 1.921 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287146280 219341532 /nfs/dbraw/zinc/34/15/32/219341532.db2.gz GASAUNCZWWZUMZ-UHFFFAOYSA-N 1 1 324.356 1.698 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000181883622 186214876 /nfs/dbraw/zinc/21/48/76/186214876.db2.gz ZDBWIQRTKSHOEF-LBPRGKRZSA-N 1 1 312.366 1.427 20 5 DDBDMO Cc1[nH+]cn(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000171993763 198021862 /nfs/dbraw/zinc/02/18/62/198021862.db2.gz CDWBJVRWKLYDAL-UHFFFAOYSA-N 1 1 318.289 1.776 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000029843316 352245511 /nfs/dbraw/zinc/24/55/11/352245511.db2.gz XGMFUJBUOAOJRQ-CYBMUJFWSA-N 1 1 301.350 1.821 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000029843316 352245516 /nfs/dbraw/zinc/24/55/16/352245516.db2.gz XGMFUJBUOAOJRQ-CYBMUJFWSA-N 1 1 301.350 1.821 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000052590859 352619773 /nfs/dbraw/zinc/61/97/73/352619773.db2.gz KHUMVAZXWPCPKL-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccccc1 ZINC000053349128 352649193 /nfs/dbraw/zinc/64/91/93/352649193.db2.gz ADNPMECTRDTKCL-UHFFFAOYSA-N 1 1 302.334 1.785 20 5 DDBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000066870877 353020431 /nfs/dbraw/zinc/02/04/31/353020431.db2.gz YBWYQQWBDIJINK-UHFFFAOYSA-N 1 1 305.381 1.029 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000068121573 353090082 /nfs/dbraw/zinc/09/00/82/353090082.db2.gz RLWHLALOPASPPU-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068938069 353137858 /nfs/dbraw/zinc/13/78/58/353137858.db2.gz OCJUUYBYWZBSSS-UHFFFAOYSA-N 1 1 317.349 1.904 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829659 353218839 /nfs/dbraw/zinc/21/88/39/353218839.db2.gz CSMAPWHZDNIVAB-INIZCTEOSA-N 1 1 319.361 1.576 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174173036 198301383 /nfs/dbraw/zinc/30/13/83/198301383.db2.gz DJKCXOSHIONTCT-CYBMUJFWSA-N 1 1 319.361 1.389 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174331984 198320964 /nfs/dbraw/zinc/32/09/64/198320964.db2.gz SIZUWVKBBFPGAA-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075712777 353377074 /nfs/dbraw/zinc/37/70/74/353377074.db2.gz UXOFPUZTJBCWPH-GFCCVEGCSA-N 1 1 310.379 1.654 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265553 353763797 /nfs/dbraw/zinc/76/37/97/353763797.db2.gz ZCFKCKLXUBRKDI-ZDUSSCGKSA-N 1 1 321.377 1.977 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000093344417 353897784 /nfs/dbraw/zinc/89/77/84/353897784.db2.gz LIASSDBOXRMLCT-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC)C1 ZINC000112076009 353970063 /nfs/dbraw/zinc/97/00/63/353970063.db2.gz FVBVSYNSQNCSJO-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H](O)C1CC1 ZINC000156600886 354220717 /nfs/dbraw/zinc/22/07/17/354220717.db2.gz ZCZYNHCFKYJDMU-HNNXBMFYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157813444 354227168 /nfs/dbraw/zinc/22/71/68/354227168.db2.gz OLNGSEGAEQVKJF-RNCFNFMXSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157813444 354227170 /nfs/dbraw/zinc/22/71/70/354227170.db2.gz OLNGSEGAEQVKJF-RNCFNFMXSA-N 1 1 311.313 1.183 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000314680325 354488139 /nfs/dbraw/zinc/48/81/39/354488139.db2.gz KEDSNWKMENDEPL-NSHDSACASA-N 1 1 302.302 1.052 20 5 DDBDMO CCOc1cc(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000585783575 354842143 /nfs/dbraw/zinc/84/21/43/354842143.db2.gz BDAHJNKVCRXLMR-GJZGRUSLSA-N 1 1 321.377 1.903 20 5 DDBDMO CCc1nn(C)c(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000585783566 354842336 /nfs/dbraw/zinc/84/23/36/354842336.db2.gz ZKBDNQWBESZSMG-QWRGUYRKSA-N 1 1 311.386 1.046 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000588001109 354891705 /nfs/dbraw/zinc/89/17/05/354891705.db2.gz ONQNTEZXBNMFNE-XHDPSFHLSA-N 1 1 320.393 1.590 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@@H]1C ZINC000588009278 354893488 /nfs/dbraw/zinc/89/34/88/354893488.db2.gz DSMJUAXWGLCCQJ-WDEREUQCSA-N 1 1 308.382 1.588 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@@H]2C1 ZINC000590044701 355043220 /nfs/dbraw/zinc/04/32/20/355043220.db2.gz MFTWICXGYRRWNP-SMDDNHRTSA-N 1 1 314.345 1.852 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000590541653 355110042 /nfs/dbraw/zinc/11/00/42/355110042.db2.gz JMJKAUAKVJNUTA-CYBMUJFWSA-N 1 1 318.377 1.023 20 5 DDBDMO Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)nc1 ZINC000590754409 355166501 /nfs/dbraw/zinc/16/65/01/355166501.db2.gz FXQYOMAMYXIVKS-UHFFFAOYSA-N 1 1 302.334 1.592 20 5 DDBDMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)nc1 ZINC000590754409 355166504 /nfs/dbraw/zinc/16/65/04/355166504.db2.gz FXQYOMAMYXIVKS-UHFFFAOYSA-N 1 1 302.334 1.592 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000591054809 355238473 /nfs/dbraw/zinc/23/84/73/355238473.db2.gz DNSXFDCRCPXOCS-WFASDCNBSA-N 1 1 310.350 1.039 20 5 DDBDMO C[C@@H](O)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056164 355239621 /nfs/dbraw/zinc/23/96/21/355239621.db2.gz CXRWCONQMQRKHM-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](O)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056164 355239626 /nfs/dbraw/zinc/23/96/26/355239626.db2.gz CXRWCONQMQRKHM-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256115 355548224 /nfs/dbraw/zinc/54/82/24/355548224.db2.gz ZJMFTGMECAGLEG-QWRGUYRKSA-N 1 1 307.354 1.088 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592533592 355618586 /nfs/dbraw/zinc/61/85/86/355618586.db2.gz UMBNYLVHFREOQY-IOKDEZFASA-N 1 1 320.345 1.464 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592533592 355618590 /nfs/dbraw/zinc/61/85/90/355618590.db2.gz UMBNYLVHFREOQY-IOKDEZFASA-N 1 1 320.345 1.464 20 5 DDBDMO C[C@H](CCO)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593106711 355800173 /nfs/dbraw/zinc/80/01/73/355800173.db2.gz BAVGZDBWGAKCNZ-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593106711 355800175 /nfs/dbraw/zinc/80/01/75/355800175.db2.gz BAVGZDBWGAKCNZ-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000593205410 355823520 /nfs/dbraw/zinc/82/35/20/355823520.db2.gz YSIWZFMYKZKZEN-UHFFFAOYSA-N 1 1 311.386 1.276 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594600568 356261375 /nfs/dbraw/zinc/26/13/75/356261375.db2.gz MFEFLQSWRUFQBP-OLZOCXBDSA-N 1 1 319.365 1.518 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000595042997 356375832 /nfs/dbraw/zinc/37/58/32/356375832.db2.gz DKPLGODMRPSMAR-BXKDBHETSA-N 1 1 321.333 1.401 20 5 DDBDMO CCN(CC)C(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595297648 356438369 /nfs/dbraw/zinc/43/83/69/356438369.db2.gz XXWLZEQWAHTUST-UHFFFAOYSA-N 1 1 324.381 1.972 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]([C@@H]3CCCC[C@H]3O)C2)nc1 ZINC000595376665 356470829 /nfs/dbraw/zinc/47/08/29/356470829.db2.gz RFPNOBNZBJHLPZ-IACUBPJLSA-N 1 1 306.366 1.780 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000565243775 304057388 /nfs/dbraw/zinc/05/73/88/304057388.db2.gz AIXKVJSZNMRFNH-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595828553 356666715 /nfs/dbraw/zinc/66/67/15/356666715.db2.gz LCJVCPSAGAXOHL-LLVKDONJSA-N 1 1 308.338 1.336 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595828553 356666716 /nfs/dbraw/zinc/66/67/16/356666716.db2.gz LCJVCPSAGAXOHL-LLVKDONJSA-N 1 1 308.338 1.336 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595828555 356666738 /nfs/dbraw/zinc/66/67/38/356666738.db2.gz LCJVCPSAGAXOHL-NSHDSACASA-N 1 1 308.338 1.336 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1[N+](=O)[O-] ZINC000595828555 356666739 /nfs/dbraw/zinc/66/67/39/356666739.db2.gz LCJVCPSAGAXOHL-NSHDSACASA-N 1 1 308.338 1.336 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596090556 356768754 /nfs/dbraw/zinc/76/87/54/356768754.db2.gz YEPQRXPOAGDTCC-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@@H]2C1 ZINC000596280994 356843717 /nfs/dbraw/zinc/84/37/17/356843717.db2.gz GWDIGRKYKQKTQO-IINYFYTJSA-N 1 1 304.350 1.224 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596539297 356911257 /nfs/dbraw/zinc/91/12/57/356911257.db2.gz OFQBCFZZJYCIJV-GFCCVEGCSA-N 1 1 309.341 1.769 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598217750 357496522 /nfs/dbraw/zinc/49/65/22/357496522.db2.gz AVWDLINCQGLZPI-LBPRGKRZSA-N 1 1 321.381 1.315 20 5 DDBDMO COC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598594798 357645044 /nfs/dbraw/zinc/64/50/44/357645044.db2.gz CSUMCRDCUQZKIP-JTQLQIEISA-N 1 1 308.338 1.530 20 5 DDBDMO NC(=O)NC(=O)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242432 283301714 /nfs/dbraw/zinc/30/17/14/283301714.db2.gz QCEPITNGUMCBDZ-UHFFFAOYSA-N 1 1 320.349 1.534 20 5 DDBDMO C[N@@H+](C[C@H]1C[C@@H](O)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599654773 358009833 /nfs/dbraw/zinc/00/98/33/358009833.db2.gz IJQHMVZECFKJPO-GLQYFDAESA-N 1 1 319.361 1.403 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599670374 358018572 /nfs/dbraw/zinc/01/85/72/358018572.db2.gz FEWCQUFDVCURIT-VDISTLRHSA-N 1 1 307.350 1.626 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276711951 213060562 /nfs/dbraw/zinc/06/05/62/213060562.db2.gz YLWKXRMZWYBBBZ-ZDUSSCGKSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276711951 213060564 /nfs/dbraw/zinc/06/05/64/213060564.db2.gz YLWKXRMZWYBBBZ-ZDUSSCGKSA-N 1 1 315.377 1.801 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600473128 358234417 /nfs/dbraw/zinc/23/44/17/358234417.db2.gz RFDADZSXFJXQNO-LBPRGKRZSA-N 1 1 304.350 1.737 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1C ZINC000601109811 358405662 /nfs/dbraw/zinc/40/56/62/358405662.db2.gz ZPXLFDRYGWENPJ-ZETCQYMHSA-N 1 1 307.276 1.853 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000601103270 358402841 /nfs/dbraw/zinc/40/28/41/358402841.db2.gz SJPJHGGVRWQZOW-CYBMUJFWSA-N 1 1 324.356 1.820 20 5 DDBDMO C[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)c1nncn1C ZINC000601153971 358424119 /nfs/dbraw/zinc/42/41/19/358424119.db2.gz VXBWCRRQYTWACP-JTQLQIEISA-N 1 1 312.333 1.909 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@@]3(O)CCOC3)c2c1 ZINC000601184187 358437465 /nfs/dbraw/zinc/43/74/65/358437465.db2.gz HWAHHRSOWVODNF-OAHLLOKOSA-N 1 1 303.318 1.518 20 5 DDBDMO C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601980390 358765086 /nfs/dbraw/zinc/76/50/86/358765086.db2.gz VCMYZAOQJUVPOE-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](CO)C1 ZINC000601980390 358765090 /nfs/dbraw/zinc/76/50/90/358765090.db2.gz VCMYZAOQJUVPOE-LLVKDONJSA-N 1 1 302.334 1.256 20 5 DDBDMO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000602174244 358863286 /nfs/dbraw/zinc/86/32/86/358863286.db2.gz SQUSVGQQXAZXRV-STQMWFEESA-N 1 1 307.350 1.759 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602869608 359254510 /nfs/dbraw/zinc/25/45/10/359254510.db2.gz MEUOZPZPTKKOEK-LBPRGKRZSA-N 1 1 316.365 1.905 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000602907661 359286101 /nfs/dbraw/zinc/28/61/01/359286101.db2.gz ZSOGSBWINAQYED-CYBMUJFWSA-N 1 1 309.366 1.102 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000602882357 359265774 /nfs/dbraw/zinc/26/57/74/359265774.db2.gz DDFNIVIKCKZGLR-OAHLLOKOSA-N 1 1 318.377 1.635 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901553 359283380 /nfs/dbraw/zinc/28/33/80/359283380.db2.gz ZZASTAKXRNCCNN-WFASDCNBSA-N 1 1 310.350 1.311 20 5 DDBDMO CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000602959757 359322927 /nfs/dbraw/zinc/32/29/27/359322927.db2.gz FUJNKGFHRZJZBE-LLVKDONJSA-N 1 1 307.354 1.278 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1(CO)CC1 ZINC000186777443 200008534 /nfs/dbraw/zinc/00/85/34/200008534.db2.gz PFUYSCAFDCUHGV-UHFFFAOYSA-N 1 1 323.349 1.246 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC1(CO)CC1 ZINC000186777443 200008536 /nfs/dbraw/zinc/00/85/36/200008536.db2.gz PFUYSCAFDCUHGV-UHFFFAOYSA-N 1 1 323.349 1.246 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000603400389 359616365 /nfs/dbraw/zinc/61/63/65/359616365.db2.gz HGRXPNSIOMPJDF-LLVKDONJSA-N 1 1 324.356 1.818 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000603396389 359613687 /nfs/dbraw/zinc/61/36/87/359613687.db2.gz ICBVGDJBWUUVAI-QWRGUYRKSA-N 1 1 309.370 1.240 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188280582 200221152 /nfs/dbraw/zinc/22/11/52/200221152.db2.gz PLZOFRMPFUXKBM-YPMHNXCESA-N 1 1 318.377 1.876 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C1CC1 ZINC000610572834 360473343 /nfs/dbraw/zinc/47/33/43/360473343.db2.gz HJLZKUHEMUYYCI-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C1CC1 ZINC000610572834 360473350 /nfs/dbraw/zinc/47/33/50/360473350.db2.gz HJLZKUHEMUYYCI-CYBMUJFWSA-N 1 1 318.333 1.848 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610615617 360482489 /nfs/dbraw/zinc/48/24/89/360482489.db2.gz ZOYYHHJGIDEGIQ-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO COC[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610615617 360482493 /nfs/dbraw/zinc/48/24/93/360482493.db2.gz ZOYYHHJGIDEGIQ-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165956 360643352 /nfs/dbraw/zinc/64/33/52/360643352.db2.gz NNFWIYZECZYBQG-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525673 360747134 /nfs/dbraw/zinc/74/71/34/360747134.db2.gz DFPKHRLMPACTER-LBPRGKRZSA-N 1 1 322.409 1.837 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577249 360765274 /nfs/dbraw/zinc/76/52/74/360765274.db2.gz HADDUTQAAYYCLU-NSHDSACASA-N 1 1 317.292 1.460 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577249 360765276 /nfs/dbraw/zinc/76/52/76/360765276.db2.gz HADDUTQAAYYCLU-NSHDSACASA-N 1 1 317.292 1.460 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281291888 216215808 /nfs/dbraw/zinc/21/58/08/216215808.db2.gz GXTOBPPXXVPZPQ-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO COC[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086272 360914280 /nfs/dbraw/zinc/91/42/80/360914280.db2.gz LVWZMVSICSKQBS-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000612086863 360914905 /nfs/dbraw/zinc/91/49/05/360914905.db2.gz YZYIHLRJYCOCLA-TZMCWYRMSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000612451358 361021911 /nfs/dbraw/zinc/02/19/11/361021911.db2.gz YZYMXHIOZMJZBP-SNVBAGLBSA-N 1 1 311.313 1.263 20 5 DDBDMO COc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000612451358 361021914 /nfs/dbraw/zinc/02/19/14/361021914.db2.gz YZYMXHIOZMJZBP-SNVBAGLBSA-N 1 1 311.313 1.263 20 5 DDBDMO COCC[N@@H+](C)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000195186905 201355416 /nfs/dbraw/zinc/35/54/16/201355416.db2.gz KHHNZFOPZQGJNC-UHFFFAOYSA-N 1 1 308.382 1.943 20 5 DDBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195326869 201379162 /nfs/dbraw/zinc/37/91/62/201379162.db2.gz UEOCNYZSSCMWGM-CYBMUJFWSA-N 1 1 321.402 1.994 20 5 DDBDMO C[C@H](c1ccncc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091990463 193138795 /nfs/dbraw/zinc/13/87/95/193138795.db2.gz HVYPQZMUUUXEHI-GFCCVEGCSA-N 1 1 302.334 1.845 20 5 DDBDMO Cc1nn(C)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000092047783 193147548 /nfs/dbraw/zinc/14/75/48/193147548.db2.gz HNSKZAPUESAGCJ-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271720218 296115803 /nfs/dbraw/zinc/11/58/03/296115803.db2.gz KUGFSCXXOAFTID-JHJVBQTASA-N 1 1 321.377 1.881 20 5 DDBDMO COCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093006262 193192100 /nfs/dbraw/zinc/19/21/00/193192100.db2.gz UJIHIHPSSJGWDK-UHFFFAOYSA-N 1 1 320.292 1.637 20 5 DDBDMO COCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093006262 193192102 /nfs/dbraw/zinc/19/21/02/193192102.db2.gz UJIHIHPSSJGWDK-UHFFFAOYSA-N 1 1 320.292 1.637 20 5 DDBDMO CCOCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264644510 204050463 /nfs/dbraw/zinc/05/04/63/204050463.db2.gz AAPBNBPHEQRGBS-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](c2ccccc2)C1 ZINC000351486888 284337264 /nfs/dbraw/zinc/33/72/64/284337264.db2.gz YJPGXAFELDWRIB-OCCSQVGLSA-N 1 1 314.345 1.751 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000282747778 217222762 /nfs/dbraw/zinc/22/27/62/217222762.db2.gz BTUQGLAJMYNEDE-SECBINFHSA-N 1 1 310.329 1.388 20 5 DDBDMO CN(CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174853150 248384499 /nfs/dbraw/zinc/38/44/99/248384499.db2.gz JTOKOZHUGMJJJR-UHFFFAOYSA-N 1 1 303.366 1.860 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](O)C1 ZINC000041886295 183223394 /nfs/dbraw/zinc/22/33/94/183223394.db2.gz ASFZPMFNPXFVGB-GFCCVEGCSA-N 1 1 323.349 1.389 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000109849736 194293726 /nfs/dbraw/zinc/29/37/26/194293726.db2.gz CPEZCJMJBWHLBX-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000110651845 194346477 /nfs/dbraw/zinc/34/64/77/194346477.db2.gz AXOBJQPQBUUAFI-JTQLQIEISA-N 1 1 322.321 1.493 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000110815856 194361465 /nfs/dbraw/zinc/36/14/65/194361465.db2.gz WIIIAVBFBOWFRX-UHFFFAOYSA-N 1 1 322.321 1.671 20 5 DDBDMO COc1cc(NCCC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000271072345 208599891 /nfs/dbraw/zinc/59/98/91/208599891.db2.gz FNSHEOWTAOFKQQ-UHFFFAOYSA-N 1 1 313.329 1.877 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1NCC[N@H+]1CCCOCC1)CCN2 ZINC000278294436 285146783 /nfs/dbraw/zinc/14/67/83/285146783.db2.gz GHWRWHOSKSVACM-UHFFFAOYSA-N 1 1 306.366 1.697 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000294939658 533217542 /nfs/dbraw/zinc/21/75/42/533217542.db2.gz CCWLTWPMDCNIPW-HNNXBMFYSA-N 1 1 308.334 1.606 20 5 DDBDMO C[N@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000271584650 209033880 /nfs/dbraw/zinc/03/38/80/209033880.db2.gz FDWPZIUDMQXKHO-UHFFFAOYSA-N 1 1 319.408 1.566 20 5 DDBDMO C[N@@H+](CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000271584650 209033885 /nfs/dbraw/zinc/03/38/85/209033885.db2.gz FDWPZIUDMQXKHO-UHFFFAOYSA-N 1 1 319.408 1.566 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414205052 224312546 /nfs/dbraw/zinc/31/25/46/224312546.db2.gz IICZGLNKFQFUDQ-LLVKDONJSA-N 1 1 307.350 1.541 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000330889569 533599189 /nfs/dbraw/zinc/59/91/89/533599189.db2.gz BMNRAYCQQARCQI-MNOVXSKESA-N 1 1 309.370 1.125 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000452095061 533675171 /nfs/dbraw/zinc/67/51/71/533675171.db2.gz KOTBOXWRTBVDEL-BNOWGMLFSA-N 1 1 310.350 1.037 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000032269064 406947228 /nfs/dbraw/zinc/94/72/28/406947228.db2.gz KRDJEKXQZITRKK-CYBMUJFWSA-N 1 1 324.381 1.020 20 5 DDBDMO C[C@@H]1COC[C@@H](C)[NH+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000077368718 406987047 /nfs/dbraw/zinc/98/70/47/406987047.db2.gz UJCROWLDZBLADJ-BZPMIXESSA-N 1 1 310.350 1.444 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000105613129 407354221 /nfs/dbraw/zinc/35/42/21/407354221.db2.gz HESBUEOKACSPDG-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000124569770 407362142 /nfs/dbraw/zinc/36/21/42/407362142.db2.gz SGFUAXNSFBZDOJ-OAHLLOKOSA-N 1 1 310.350 1.829 20 5 DDBDMO Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783145 407390742 /nfs/dbraw/zinc/39/07/42/407390742.db2.gz DOLUTBXXIPAMOS-JTQLQIEISA-N 1 1 304.350 1.391 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000107892732 407381304 /nfs/dbraw/zinc/38/13/04/407381304.db2.gz YNNJVWSYAYKFJO-JTQLQIEISA-N 1 1 322.321 1.575 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000113196894 407473782 /nfs/dbraw/zinc/47/37/82/407473782.db2.gz XEXCATKZZGNSFQ-LBPRGKRZSA-N 1 1 323.397 1.631 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170793190 407507481 /nfs/dbraw/zinc/50/74/81/407507481.db2.gz XOISEXPUJUGHCS-UHFFFAOYSA-N 1 1 319.321 1.213 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000170793190 407507487 /nfs/dbraw/zinc/50/74/87/407507487.db2.gz XOISEXPUJUGHCS-UHFFFAOYSA-N 1 1 319.321 1.213 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000127717184 407456946 /nfs/dbraw/zinc/45/69/46/407456946.db2.gz NRILAAWMYZHLJG-ZIAGYGMSSA-N 1 1 306.410 1.881 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](O)C3)o2)c1 ZINC000114470345 407577950 /nfs/dbraw/zinc/57/79/50/407577950.db2.gz CVIKAMVRXSSHBD-ZDUSSCGKSA-N 1 1 303.318 1.859 20 5 DDBDMO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2C1 ZINC000171481545 407692226 /nfs/dbraw/zinc/69/22/26/407692226.db2.gz BXUVAXAHNHYSDF-UHFFFAOYSA-N 1 1 315.333 1.270 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2C1 ZINC000171481545 407692233 /nfs/dbraw/zinc/69/22/33/407692233.db2.gz BXUVAXAHNHYSDF-UHFFFAOYSA-N 1 1 315.333 1.270 20 5 DDBDMO Cc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262181169 407759171 /nfs/dbraw/zinc/75/91/71/407759171.db2.gz WRBRRBSBVDKNSR-HNNXBMFYSA-N 1 1 304.394 1.383 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000171804068 407770628 /nfs/dbraw/zinc/77/06/28/407770628.db2.gz FOJNVNBWKUVECF-VIFPVBQESA-N 1 1 320.353 1.451 20 5 DDBDMO CCc1[nH]nc(C(=O)Nc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000267285684 407819608 /nfs/dbraw/zinc/81/96/08/407819608.db2.gz XCFJEPFCKPWWHW-UHFFFAOYSA-N 1 1 304.310 1.594 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272520991 407961428 /nfs/dbraw/zinc/96/14/28/407961428.db2.gz PWWGFRJQIGPQFO-XJKSGUPXSA-N 1 1 317.389 1.998 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000272451593 407926063 /nfs/dbraw/zinc/92/60/63/407926063.db2.gz NPPYYGUIWXXNMR-RYUDHWBXSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000268341387 408006318 /nfs/dbraw/zinc/00/63/18/408006318.db2.gz CIVBIGQIRZWLGB-UHFFFAOYSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@H](C)O ZINC000245765070 408063587 /nfs/dbraw/zinc/06/35/87/408063587.db2.gz JINJVWZMNLFTIV-DTWKUNHWSA-N 1 1 315.757 1.888 20 5 DDBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H](C)O ZINC000245765070 408063602 /nfs/dbraw/zinc/06/36/02/408063602.db2.gz JINJVWZMNLFTIV-DTWKUNHWSA-N 1 1 315.757 1.888 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182224853 408099893 /nfs/dbraw/zinc/09/98/93/408099893.db2.gz BXARNSSQBODSOK-WFASDCNBSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000182297703 408119851 /nfs/dbraw/zinc/11/98/51/408119851.db2.gz DCFFUNWRYHJCRQ-DZGCQCFKSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000182297703 408119854 /nfs/dbraw/zinc/11/98/54/408119854.db2.gz DCFFUNWRYHJCRQ-DZGCQCFKSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246282992 408205176 /nfs/dbraw/zinc/20/51/76/408205176.db2.gz NVVMKYAMGGBPLV-RBSFLKMASA-N 1 1 324.402 1.835 20 5 DDBDMO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182628107 408209029 /nfs/dbraw/zinc/20/90/29/408209029.db2.gz ZGZWIKIGMIJSNK-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182628107 408209032 /nfs/dbraw/zinc/20/90/32/408209032.db2.gz ZGZWIKIGMIJSNK-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO Cc1nc(N2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000150843756 408211056 /nfs/dbraw/zinc/21/10/56/408211056.db2.gz JSCYTBGWRZKGSK-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000190325593 408222351 /nfs/dbraw/zinc/22/23/51/408222351.db2.gz IXSDBEJORDRNOU-UHFFFAOYSA-N 1 1 305.306 1.397 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333248 408271410 /nfs/dbraw/zinc/27/14/10/408271410.db2.gz ATGZKHRKRVHBSG-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269333248 408271416 /nfs/dbraw/zinc/27/14/16/408271416.db2.gz ATGZKHRKRVHBSG-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000190895233 408339065 /nfs/dbraw/zinc/33/90/65/408339065.db2.gz NHQPITCKCCIFJK-YPMHNXCESA-N 1 1 319.361 1.044 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000274244928 408339273 /nfs/dbraw/zinc/33/92/73/408339273.db2.gz SNWGRWSVIZJDAK-CZUORRHYSA-N 1 1 323.393 1.281 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 ZINC000158744787 408357475 /nfs/dbraw/zinc/35/74/75/408357475.db2.gz YYXBFTIBMUBFJV-UHFFFAOYSA-N 1 1 316.317 1.854 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631599 408367638 /nfs/dbraw/zinc/36/76/38/408367638.db2.gz FWXWSESOKRYCRB-RISCZKNCSA-N 1 1 307.350 1.216 20 5 DDBDMO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000191721270 408478056 /nfs/dbraw/zinc/47/80/56/408478056.db2.gz XSKDOAYYQRELBI-UHFFFAOYSA-N 1 1 318.333 1.600 20 5 DDBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(N)=O ZINC000191721270 408478060 /nfs/dbraw/zinc/47/80/60/408478060.db2.gz XSKDOAYYQRELBI-UHFFFAOYSA-N 1 1 318.333 1.600 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177144811 408534599 /nfs/dbraw/zinc/53/45/99/408534599.db2.gz YYCGSTDKPLKFKD-ZJUUUORDSA-N 1 1 321.381 1.625 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248650911 408608220 /nfs/dbraw/zinc/60/82/20/408608220.db2.gz AHOPVGYJAVIQDY-NEPJUHHUSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000248900266 408659241 /nfs/dbraw/zinc/65/92/41/408659241.db2.gz HEWIKXRIRHGSRD-HZMBPMFUSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(F)(F)C[NH3+])cc1C ZINC000162638722 408721691 /nfs/dbraw/zinc/72/16/91/408721691.db2.gz YMIUCBCDEIOAJB-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275845694 408693986 /nfs/dbraw/zinc/69/39/86/408693986.db2.gz KKNYDTCOAQUYMX-MGPQQGTHSA-N 1 1 324.377 1.570 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178347960 408810463 /nfs/dbraw/zinc/81/04/63/408810463.db2.gz BIDBDBXQIXEQFI-LBPRGKRZSA-N 1 1 310.350 1.951 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270933308 408747591 /nfs/dbraw/zinc/74/75/91/408747591.db2.gz QNEVXHFXIKNUPN-UHFFFAOYSA-N 1 1 322.321 1.669 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270933308 408747597 /nfs/dbraw/zinc/74/75/97/408747597.db2.gz QNEVXHFXIKNUPN-UHFFFAOYSA-N 1 1 322.321 1.669 20 5 DDBDMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183466 408775631 /nfs/dbraw/zinc/77/56/31/408775631.db2.gz NWUZMFDDRQWAGM-WDEREUQCSA-N 1 1 309.341 1.905 20 5 DDBDMO Cc1c(CC(=O)N2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000163408819 408775805 /nfs/dbraw/zinc/77/58/05/408775805.db2.gz OZCFBSQNNYNFQX-UHFFFAOYSA-N 1 1 303.362 1.752 20 5 DDBDMO CCN(CCC[NH+](C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000276239567 408826970 /nfs/dbraw/zinc/82/69/70/408826970.db2.gz PFYCZFOQHCSZNL-UHFFFAOYSA-N 1 1 311.386 1.855 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000188746233 163065115 /nfs/dbraw/zinc/06/51/15/163065115.db2.gz AWPFKBIOLMVUJH-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000188746233 163065116 /nfs/dbraw/zinc/06/51/16/163065116.db2.gz AWPFKBIOLMVUJH-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190908402 163164251 /nfs/dbraw/zinc/16/42/51/163164251.db2.gz DKEPZBCAXYRCFU-UTUOFQBUSA-N 1 1 307.350 1.482 20 5 DDBDMO CN(CCC[NH+]1CCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281846001 408940476 /nfs/dbraw/zinc/94/04/76/408940476.db2.gz XTOCMJDLGBXNJZ-UHFFFAOYSA-N 1 1 307.350 1.858 20 5 DDBDMO Nc1c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000277610463 408977657 /nfs/dbraw/zinc/97/76/57/408977657.db2.gz VFTQPMXPGQPLQU-LBPRGKRZSA-N 1 1 318.377 1.924 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000292187876 408996718 /nfs/dbraw/zinc/99/67/18/408996718.db2.gz MWNBOVHWDUJJBQ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000292187876 408996721 /nfs/dbraw/zinc/99/67/21/408996721.db2.gz MWNBOVHWDUJJBQ-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000283199537 409109128 /nfs/dbraw/zinc/10/91/28/409109128.db2.gz GJBSKCMWKBYQLV-UHFFFAOYSA-N 1 1 309.322 1.418 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000283199537 409109131 /nfs/dbraw/zinc/10/91/31/409109131.db2.gz GJBSKCMWKBYQLV-UHFFFAOYSA-N 1 1 309.322 1.418 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000278939118 409117129 /nfs/dbraw/zinc/11/71/29/409117129.db2.gz XJYRFYYSQMGONE-NSHDSACASA-N 1 1 323.349 1.513 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000295094888 409321089 /nfs/dbraw/zinc/32/10/89/409321089.db2.gz AKOIHAMSFCFIRT-BXUZGUMPSA-N 1 1 310.350 1.827 20 5 DDBDMO CN(CC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000295217820 409380220 /nfs/dbraw/zinc/38/02/20/409380220.db2.gz MHGIILTZDFZNPS-HNNXBMFYSA-N 1 1 324.356 1.191 20 5 DDBDMO Cc1ccc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1[N+](=O)[O-] ZINC000295135109 409337285 /nfs/dbraw/zinc/33/72/85/409337285.db2.gz PAJALHKMOURMLX-HOCLYGCPSA-N 1 1 305.378 1.808 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2NC)C1 ZINC000317537928 164028333 /nfs/dbraw/zinc/02/83/33/164028333.db2.gz ARKYQLYRRXCJHC-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684383 409486874 /nfs/dbraw/zinc/48/68/74/409486874.db2.gz SUOMGKJCRMMDKA-QWRGUYRKSA-N 1 1 321.381 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)nc1 ZINC000331461073 409535048 /nfs/dbraw/zinc/53/50/48/409535048.db2.gz JJJPGOIZHQZKRY-STQMWFEESA-N 1 1 306.366 1.903 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000338077886 409700308 /nfs/dbraw/zinc/70/03/08/409700308.db2.gz IQQNFGUVJBIDNK-LBPRGKRZSA-N 1 1 306.366 1.760 20 5 DDBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296829079 409654297 /nfs/dbraw/zinc/65/42/97/409654297.db2.gz SDDSWQGSJCHJNY-AWEZNQCLSA-N 1 1 323.349 1.746 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000342706709 409832770 /nfs/dbraw/zinc/83/27/70/409832770.db2.gz ROVWMGGYPISMEF-WCQYABFASA-N 1 1 318.377 1.614 20 5 DDBDMO O=C(NCC1CC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000297188873 409846567 /nfs/dbraw/zinc/84/65/67/409846567.db2.gz LPWNXXZELIRLLC-UHFFFAOYSA-N 1 1 303.322 1.201 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000357012402 409792988 /nfs/dbraw/zinc/79/29/88/409792988.db2.gz YQJUYRQNWITJOT-CHWSQXEVSA-N 1 1 320.393 1.866 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342802718 409915401 /nfs/dbraw/zinc/91/54/01/409915401.db2.gz PJRYSINSIBJCJM-UHFFFAOYSA-N 1 1 317.349 1.725 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1=O ZINC000338344862 409927304 /nfs/dbraw/zinc/92/73/04/409927304.db2.gz CSCSAPHQNFUKHQ-OAHLLOKOSA-N 1 1 303.362 1.832 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342835809 409940233 /nfs/dbraw/zinc/94/02/33/409940233.db2.gz QOPXAQBAOVVKHY-PWSUYJOCSA-N 1 1 322.365 1.979 20 5 DDBDMO CC1=CC[N@@H+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357451120 410049356 /nfs/dbraw/zinc/04/93/56/410049356.db2.gz FPBCXOSXRPCQSO-UHFFFAOYSA-N 1 1 305.338 1.153 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342986098 410052896 /nfs/dbraw/zinc/05/28/96/410052896.db2.gz AMDUWSZGLVGNDO-KCJUWKMLSA-N 1 1 303.322 1.607 20 5 DDBDMO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343392688 410416874 /nfs/dbraw/zinc/41/68/74/410416874.db2.gz CKGRTIYGEVNADJ-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343392688 410416879 /nfs/dbraw/zinc/41/68/79/410416879.db2.gz CKGRTIYGEVNADJ-NSHDSACASA-N 1 1 323.349 1.807 20 5 DDBDMO CCCC[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298709685 410359864 /nfs/dbraw/zinc/35/98/64/410359864.db2.gz YVYHSJZEQARVHC-CYBMUJFWSA-N 1 1 312.366 1.429 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CO)n2)cc1 ZINC000298772497 410394229 /nfs/dbraw/zinc/39/42/29/410394229.db2.gz TYZAYDRYTFZHSY-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CO)n2)cc1 ZINC000298772497 410394235 /nfs/dbraw/zinc/39/42/35/410394235.db2.gz TYZAYDRYTFZHSY-ZDUSSCGKSA-N 1 1 318.333 1.992 20 5 DDBDMO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343555724 410530066 /nfs/dbraw/zinc/53/00/66/410530066.db2.gz FMKMHTSCLACJOZ-LBPRGKRZSA-N 1 1 307.350 1.905 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343555724 410530071 /nfs/dbraw/zinc/53/00/71/410530071.db2.gz FMKMHTSCLACJOZ-LBPRGKRZSA-N 1 1 307.350 1.905 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352185435 410530258 /nfs/dbraw/zinc/53/02/58/410530258.db2.gz CJMXVBAGUNIJFI-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@@H+](CCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343689500 410623440 /nfs/dbraw/zinc/62/34/40/410623440.db2.gz QASGIZVWILSDKE-CQSZACIVSA-N 1 1 307.350 1.404 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000355924341 410735951 /nfs/dbraw/zinc/73/59/51/410735951.db2.gz ZBDOFTHHXBSYOZ-SKDRFNHKSA-N 1 1 317.349 1.684 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000330549383 410768359 /nfs/dbraw/zinc/76/83/59/410768359.db2.gz DFIMTDQAFADQER-BXUZGUMPSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000330549383 410768364 /nfs/dbraw/zinc/76/83/64/410768364.db2.gz DFIMTDQAFADQER-BXUZGUMPSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000330579882 410795596 /nfs/dbraw/zinc/79/55/96/410795596.db2.gz IIXFFANDUBLSPZ-NEPJUHHUSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356157852 410869942 /nfs/dbraw/zinc/86/99/42/410869942.db2.gz MGWOXURJOYPKIK-GFCCVEGCSA-N 1 1 323.397 1.570 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)CC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000353525009 411046042 /nfs/dbraw/zinc/04/60/42/411046042.db2.gz RLKSVLSYMDBDSG-UHFFFAOYSA-N 1 1 310.350 1.829 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000331280261 411054823 /nfs/dbraw/zinc/05/48/23/411054823.db2.gz BKNQZXADBJHESF-UHFFFAOYSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@@H]1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000353580636 411072640 /nfs/dbraw/zinc/07/26/40/411072640.db2.gz IQFZFLPGDNRFQS-OLZOCXBDSA-N 1 1 320.393 1.853 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000344349935 411094664 /nfs/dbraw/zinc/09/46/64/411094664.db2.gz KXMLGWSCCXMGLC-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000344349935 411094665 /nfs/dbraw/zinc/09/46/65/411094665.db2.gz KXMLGWSCCXMGLC-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129574622 196058945 /nfs/dbraw/zinc/05/89/45/196058945.db2.gz BPRXYBZLLXHNCM-CQSZACIVSA-N 1 1 305.378 1.749 20 5 DDBDMO O=[N+]([O-])c1ccccc1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129574622 196058947 /nfs/dbraw/zinc/05/89/47/196058947.db2.gz BPRXYBZLLXHNCM-CQSZACIVSA-N 1 1 305.378 1.749 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000134398680 196386885 /nfs/dbraw/zinc/38/68/85/196386885.db2.gz JXSVOWXRCXRIDS-CQSZACIVSA-N 1 1 323.393 1.896 20 5 DDBDMO C[C@@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000374343426 418519742 /nfs/dbraw/zinc/51/97/42/418519742.db2.gz XXNKZUCLYUREHI-NSHDSACASA-N 1 1 308.334 1.930 20 5 DDBDMO C[C@@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000374343426 418519745 /nfs/dbraw/zinc/51/97/45/418519745.db2.gz XXNKZUCLYUREHI-NSHDSACASA-N 1 1 308.334 1.930 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c2c(c1)COCO2 ZINC000366394606 418469890 /nfs/dbraw/zinc/46/98/90/418469890.db2.gz FPPQAQGNOLZOGY-WDNDVIMCSA-N 1 1 306.318 1.131 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c2c(c1)COCO2 ZINC000366394606 418469894 /nfs/dbraw/zinc/46/98/94/418469894.db2.gz FPPQAQGNOLZOGY-WDNDVIMCSA-N 1 1 306.318 1.131 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374861113 418570818 /nfs/dbraw/zinc/57/08/18/418570818.db2.gz XUJGUOFXZMAJQP-HNNXBMFYSA-N 1 1 320.324 1.561 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374861113 418570822 /nfs/dbraw/zinc/57/08/22/418570822.db2.gz XUJGUOFXZMAJQP-HNNXBMFYSA-N 1 1 320.324 1.561 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000366956237 418543411 /nfs/dbraw/zinc/54/34/11/418543411.db2.gz XRWRMOBWUIEBMS-ZDUSSCGKSA-N 1 1 315.333 1.094 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000366956237 418543412 /nfs/dbraw/zinc/54/34/12/418543412.db2.gz XRWRMOBWUIEBMS-ZDUSSCGKSA-N 1 1 315.333 1.094 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188369391 222012093 /nfs/dbraw/zinc/01/20/93/222012093.db2.gz WCLHPTNNBVKQTQ-LLVKDONJSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1c(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000188369391 222012095 /nfs/dbraw/zinc/01/20/95/222012095.db2.gz WCLHPTNNBVKQTQ-LLVKDONJSA-N 1 1 322.365 1.434 20 5 DDBDMO Cn1c(NCCn2cc([N+](=O)[O-])cn2)[nH+]c2cccc(F)c21 ZINC000336980843 418618497 /nfs/dbraw/zinc/61/84/97/418618497.db2.gz SGKSDQDKCVFQGN-UHFFFAOYSA-N 1 1 304.285 1.929 20 5 DDBDMO CCn1cc(C[N@@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000361340168 418629729 /nfs/dbraw/zinc/62/97/29/418629729.db2.gz ANTRYIQLDBCJSB-UHFFFAOYSA-N 1 1 318.377 1.848 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)C1 ZINC000368299410 418716802 /nfs/dbraw/zinc/71/68/02/418716802.db2.gz OHZPRWDFONGXRI-CQSZACIVSA-N 1 1 302.338 1.170 20 5 DDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361578139 418684291 /nfs/dbraw/zinc/68/42/91/418684291.db2.gz PPEZKZSEMQWNAD-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361578139 418684293 /nfs/dbraw/zinc/68/42/93/418684293.db2.gz PPEZKZSEMQWNAD-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1CO ZINC000362067897 418747162 /nfs/dbraw/zinc/74/71/62/418747162.db2.gz RHVBBMQRZZTPEB-JQWIXIFHSA-N 1 1 318.333 1.705 20 5 DDBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C[N@H+]1C ZINC000408073940 418786542 /nfs/dbraw/zinc/78/65/42/418786542.db2.gz VDSKGHUOPYGWPJ-NEPJUHHUSA-N 1 1 321.377 1.986 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364939819 418826485 /nfs/dbraw/zinc/82/64/85/418826485.db2.gz ZMDYSVNXNAXNBL-JTQLQIEISA-N 1 1 313.379 1.185 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155905 418841085 /nfs/dbraw/zinc/84/10/85/418841085.db2.gz HVBCRMVCOPUPMB-GXTWGEPZSA-N 1 1 319.361 1.552 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420970682 419393225 /nfs/dbraw/zinc/39/32/25/419393225.db2.gz GVFIVGLNHMJEFY-SECBINFHSA-N 1 1 303.322 1.039 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000420970682 419393228 /nfs/dbraw/zinc/39/32/28/419393228.db2.gz GVFIVGLNHMJEFY-SECBINFHSA-N 1 1 303.322 1.039 20 5 DDBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188145 419613918 /nfs/dbraw/zinc/61/39/18/419613918.db2.gz WZAHFBFQEGKILY-UONOGXRCSA-N 1 1 308.382 1.663 20 5 DDBDMO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000413251929 419776343 /nfs/dbraw/zinc/77/63/43/419776343.db2.gz RHANKJKIDOJFLE-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000427705078 419716809 /nfs/dbraw/zinc/71/68/09/419716809.db2.gz GYYIJRJCVAPKQI-NSHDSACASA-N 1 1 309.370 1.414 20 5 DDBDMO CC[C@H]1CN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000428067470 419807717 /nfs/dbraw/zinc/80/77/17/419807717.db2.gz ALYYJSITRBKDPY-AWEZNQCLSA-N 1 1 323.349 1.141 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020540 419915014 /nfs/dbraw/zinc/91/50/14/419915014.db2.gz BEQLZSPBZCEFHG-GCVYGYKWSA-N 1 1 304.350 1.119 20 5 DDBDMO C[C@]12CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1C2(F)F ZINC000428736055 419923185 /nfs/dbraw/zinc/92/31/85/419923185.db2.gz RQGYYOFJHXSQDJ-YPMHNXCESA-N 1 1 313.304 1.734 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435244261 229366059 /nfs/dbraw/zinc/36/60/59/229366059.db2.gz CKYAVMRFGJEGPK-NSHDSACASA-N 1 1 315.333 1.438 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1([NH3+])CCC1 ZINC000423316041 420011679 /nfs/dbraw/zinc/01/16/79/420011679.db2.gz BNFMLAVVWBPPQV-NSHDSACASA-N 1 1 306.366 1.783 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCC1 ZINC000423316041 420011683 /nfs/dbraw/zinc/01/16/83/420011683.db2.gz BNFMLAVVWBPPQV-NSHDSACASA-N 1 1 306.366 1.783 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1(CO)CCOCC1 ZINC000430247682 420096187 /nfs/dbraw/zinc/09/61/87/420096187.db2.gz WHRLKEXMQQHGQR-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@H](CN)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430924950 420208240 /nfs/dbraw/zinc/20/82/40/420208240.db2.gz BWDVLAHQOSJQBL-SNVBAGLBSA-N 1 1 308.338 1.172 20 5 DDBDMO C[C@H](CN)[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430924950 420208242 /nfs/dbraw/zinc/20/82/42/420208242.db2.gz BWDVLAHQOSJQBL-SNVBAGLBSA-N 1 1 308.338 1.172 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000416304219 420321114 /nfs/dbraw/zinc/32/11/14/420321114.db2.gz YRTXKVJVWFEWJT-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000416304219 420321118 /nfs/dbraw/zinc/32/11/18/420321118.db2.gz YRTXKVJVWFEWJT-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CCOC(=O)c1ccnc(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000420633029 420336750 /nfs/dbraw/zinc/33/67/50/420336750.db2.gz IQPMOTRQXCHRBV-LLVKDONJSA-N 1 1 322.365 1.697 20 5 DDBDMO CNc1c(C(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000438677449 420462952 /nfs/dbraw/zinc/46/29/52/420462952.db2.gz IMRQXRKNBVNFSJ-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO CNc1c(C(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000438677449 420462955 /nfs/dbraw/zinc/46/29/55/420462955.db2.gz IMRQXRKNBVNFSJ-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000439102213 420479914 /nfs/dbraw/zinc/47/99/14/420479914.db2.gz SLOOTAAGRDMNBY-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000457084939 420605868 /nfs/dbraw/zinc/60/58/68/420605868.db2.gz GYFPFMFFXJUHHD-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000457084939 420605870 /nfs/dbraw/zinc/60/58/70/420605870.db2.gz GYFPFMFFXJUHHD-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000459823211 420884508 /nfs/dbraw/zinc/88/45/08/420884508.db2.gz IPEOVBCZXJUPLX-DZGCQCFKSA-N 1 1 310.350 1.885 20 5 DDBDMO CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000487956635 421058947 /nfs/dbraw/zinc/05/89/47/421058947.db2.gz VXQSIRKXGIBNQC-CQSZACIVSA-N 1 1 308.382 1.029 20 5 DDBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC12COC2 ZINC000449360233 420996696 /nfs/dbraw/zinc/99/66/96/420996696.db2.gz HQONDZWPZJSPGM-CQSZACIVSA-N 1 1 320.345 1.606 20 5 DDBDMO Cn1c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000495123618 421007519 /nfs/dbraw/zinc/00/75/19/421007519.db2.gz VELDELJYKJMJJZ-VXGBXAGGSA-N 1 1 306.366 1.490 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456017552 421089698 /nfs/dbraw/zinc/08/96/98/421089698.db2.gz ZBKHHBNCDGUFIE-VHSXEESVSA-N 1 1 307.354 1.244 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721175 421107709 /nfs/dbraw/zinc/10/77/09/421107709.db2.gz RNJVJSBHPMSJNV-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000456335132 421144082 /nfs/dbraw/zinc/14/40/82/421144082.db2.gz AFXTYCWTOUAARU-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000456335132 421144086 /nfs/dbraw/zinc/14/40/86/421144086.db2.gz AFXTYCWTOUAARU-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000456335132 421144088 /nfs/dbraw/zinc/14/40/88/421144088.db2.gz AFXTYCWTOUAARU-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000456335132 421144092 /nfs/dbraw/zinc/14/40/92/421144092.db2.gz AFXTYCWTOUAARU-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N@@H+](C)C1CC1 ZINC000524359404 421258881 /nfs/dbraw/zinc/25/88/81/421258881.db2.gz SUFDPVCYNDQZKS-VIFPVBQESA-N 1 1 321.333 1.536 20 5 DDBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547755800 421363146 /nfs/dbraw/zinc/36/31/46/421363146.db2.gz AFWFOVWHCOSHSN-OUAUKWLOSA-N 1 1 309.370 1.414 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548413940 421434928 /nfs/dbraw/zinc/43/49/28/421434928.db2.gz FIADAOWQHXSJIR-UHFFFAOYSA-N 1 1 309.370 1.654 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000341786138 271212634 /nfs/dbraw/zinc/21/26/34/271212634.db2.gz BFBIXHMGELJBRO-NSHDSACASA-N 1 1 309.370 1.079 20 5 DDBDMO CC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000341786138 271212636 /nfs/dbraw/zinc/21/26/36/271212636.db2.gz BFBIXHMGELJBRO-NSHDSACASA-N 1 1 309.370 1.079 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000341873668 271228548 /nfs/dbraw/zinc/22/85/48/271228548.db2.gz AGEVXFVMOIIZSO-CYBMUJFWSA-N 1 1 304.350 1.932 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)n1 ZINC000344419521 272021749 /nfs/dbraw/zinc/02/17/49/272021749.db2.gz GDOQXNXYRBTPQR-PHIMTYICSA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)n1 ZINC000344419521 272021751 /nfs/dbraw/zinc/02/17/51/272021751.db2.gz GDOQXNXYRBTPQR-PHIMTYICSA-N 1 1 309.370 1.366 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222800 276040782 /nfs/dbraw/zinc/04/07/82/276040782.db2.gz VWDGZNAVKVWCDF-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222800 276040783 /nfs/dbraw/zinc/04/07/83/276040783.db2.gz VWDGZNAVKVWCDF-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222800 276040784 /nfs/dbraw/zinc/04/07/84/276040784.db2.gz VWDGZNAVKVWCDF-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222800 276040786 /nfs/dbraw/zinc/04/07/86/276040786.db2.gz VWDGZNAVKVWCDF-LLVKDONJSA-N 1 1 323.397 1.854 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000269453989 276348682 /nfs/dbraw/zinc/34/86/82/276348682.db2.gz RMIMCQUQZNGURQ-UHFFFAOYSA-N 1 1 309.370 1.655 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000338745489 277087268 /nfs/dbraw/zinc/08/72/68/277087268.db2.gz NRNFZRVTPWPINX-INIZCTEOSA-N 1 1 318.377 1.616 20 5 DDBDMO CC(C)[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000420613907 280016254 /nfs/dbraw/zinc/01/62/54/280016254.db2.gz UPGZTDIQWAYYGE-ZDUSSCGKSA-N 1 1 306.366 1.470 20 5 DDBDMO C[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000357965271 299034995 /nfs/dbraw/zinc/03/49/95/299034995.db2.gz QTTVCIBXTITYGH-QWRGUYRKSA-N 1 1 309.370 1.321 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363877255 300320071 /nfs/dbraw/zinc/32/00/71/300320071.db2.gz UGILMMBVZONAEV-NJZAAPMLSA-N 1 1 316.361 1.546 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368557869 301051782 /nfs/dbraw/zinc/05/17/82/301051782.db2.gz RHPNRQCZJDPMFF-LLVKDONJSA-N 1 1 315.276 1.039 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000368590609 301060023 /nfs/dbraw/zinc/06/00/23/301060023.db2.gz KZNRBRWFFIZYPJ-XHDPSFHLSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368596676 301061107 /nfs/dbraw/zinc/06/11/07/301061107.db2.gz VVHQXTMTTFQXKN-WFASDCNBSA-N 1 1 303.362 1.690 20 5 DDBDMO COC[C@@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000369946821 301245312 /nfs/dbraw/zinc/24/53/12/301245312.db2.gz COEHPQJDQYTXPG-CYBMUJFWSA-N 1 1 309.366 1.505 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000370148576 301283408 /nfs/dbraw/zinc/28/34/08/301283408.db2.gz BFQHNSYPOOGNPN-UHOFOFEASA-N 1 1 305.378 1.654 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144532 303277203 /nfs/dbraw/zinc/27/72/03/303277203.db2.gz DVOVTOPTIUOTAF-GFCCVEGCSA-N 1 1 306.366 1.984 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534349512 303332617 /nfs/dbraw/zinc/33/26/17/303332617.db2.gz SMQHUBFECGTETN-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534349512 303332618 /nfs/dbraw/zinc/33/26/18/303332618.db2.gz SMQHUBFECGTETN-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366678381 307079451 /nfs/dbraw/zinc/07/94/51/307079451.db2.gz LYOZLCAJFMWHBA-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO CCN(C)C(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369001204 307113952 /nfs/dbraw/zinc/11/39/52/307113952.db2.gz KZNTXMAKBHAXMF-LBPRGKRZSA-N 1 1 309.370 1.297 20 5 DDBDMO COc1ccc(CNC(=O)CC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000576407201 308312574 /nfs/dbraw/zinc/31/25/74/308312574.db2.gz CGSCCTXORMGKAY-UHFFFAOYSA-N 1 1 303.265 1.204 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576974355 308353683 /nfs/dbraw/zinc/35/36/83/308353683.db2.gz ZDJLATICECYHGE-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCOCC2)c1 ZINC000445667733 534245688 /nfs/dbraw/zinc/24/56/88/534245688.db2.gz HNULSTRDYLOWRS-UHFFFAOYSA-N 1 1 323.349 1.516 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452344049 534333223 /nfs/dbraw/zinc/33/32/23/534333223.db2.gz CEPBCOXNDTVKRL-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO Cn1nnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000494388670 534336300 /nfs/dbraw/zinc/33/63/00/534336300.db2.gz WKMPVXAYLZLOMX-GFCCVEGCSA-N 1 1 302.338 1.229 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000334041728 536521807 /nfs/dbraw/zinc/52/18/07/536521807.db2.gz AGAMPOAMTMBBCM-JQWIXIFHSA-N 1 1 307.350 1.816 20 5 DDBDMO CCOc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457731964 528396994 /nfs/dbraw/zinc/39/69/94/528396994.db2.gz DDFAKECGQOSKKO-UHFFFAOYSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000825466206 607821930 /nfs/dbraw/zinc/82/19/30/607821930.db2.gz XDKNXDXSXUGBLN-SNVBAGLBSA-N 1 1 317.353 1.305 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000797520331 700012846 /nfs/dbraw/zinc/01/28/46/700012846.db2.gz DWDRWKLLFNIQIP-UHFFFAOYSA-N 1 1 321.333 1.678 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748355614 700113422 /nfs/dbraw/zinc/11/34/22/700113422.db2.gz SLWSGHMHTYTUMD-SECBINFHSA-N 1 1 322.321 1.588 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748355614 700113423 /nfs/dbraw/zinc/11/34/23/700113423.db2.gz SLWSGHMHTYTUMD-SECBINFHSA-N 1 1 322.321 1.588 20 5 DDBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)nc1 ZINC000159870161 697312802 /nfs/dbraw/zinc/31/28/02/697312802.db2.gz BFAMIAGRJOIWEO-UHFFFAOYSA-N 1 1 322.752 1.937 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)nc1 ZINC000159870161 697312803 /nfs/dbraw/zinc/31/28/03/697312803.db2.gz BFAMIAGRJOIWEO-UHFFFAOYSA-N 1 1 322.752 1.937 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000194628712 697717138 /nfs/dbraw/zinc/71/71/38/697717138.db2.gz PULFHUKJEDASLK-NSHDSACASA-N 1 1 322.321 1.717 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857802 698143865 /nfs/dbraw/zinc/14/38/65/698143865.db2.gz NCGWNULFYVHVQS-BXUZGUMPSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857802 698143869 /nfs/dbraw/zinc/14/38/69/698143869.db2.gz NCGWNULFYVHVQS-BXUZGUMPSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782627136 698754712 /nfs/dbraw/zinc/75/47/12/698754712.db2.gz ZBBQUYCTXDHKBM-HFAKWTLXSA-N 1 1 305.334 1.236 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782627136 698754714 /nfs/dbraw/zinc/75/47/14/698754714.db2.gz ZBBQUYCTXDHKBM-HFAKWTLXSA-N 1 1 305.334 1.236 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])cc1OC ZINC000783745360 698872883 /nfs/dbraw/zinc/87/28/83/698872883.db2.gz WEEDQDLQHJCHEW-XHDPSFHLSA-N 1 1 308.334 1.426 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])cc1OC ZINC000783745360 698872886 /nfs/dbraw/zinc/87/28/86/698872886.db2.gz WEEDQDLQHJCHEW-XHDPSFHLSA-N 1 1 308.334 1.426 20 5 DDBDMO CO[C@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@@H]1C ZINC000783969072 698896452 /nfs/dbraw/zinc/89/64/52/698896452.db2.gz RYPGQAHNVPSBMJ-HZMBPMFUSA-N 1 1 319.365 1.962 20 5 DDBDMO CO[C@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC[C@@H]1C ZINC000783969072 698896459 /nfs/dbraw/zinc/89/64/59/698896459.db2.gz RYPGQAHNVPSBMJ-HZMBPMFUSA-N 1 1 319.365 1.962 20 5 DDBDMO O=C1NC2(CO1)CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000784459171 698940334 /nfs/dbraw/zinc/94/03/34/698940334.db2.gz JUPVQSGRNXXNIM-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000785728512 699095525 /nfs/dbraw/zinc/09/55/25/699095525.db2.gz IDNPGBUMOUGYRG-TXEJJXNPSA-N 1 1 323.349 1.173 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N(CC)CC ZINC000725848404 699336019 /nfs/dbraw/zinc/33/60/19/699336019.db2.gz RWTNHIXFDKGQTN-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000729185178 699473177 /nfs/dbraw/zinc/47/31/77/699473177.db2.gz MOHISKWHDUOOGP-VIFPVBQESA-N 1 1 307.310 1.264 20 5 DDBDMO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000729185178 699473178 /nfs/dbraw/zinc/47/31/78/699473178.db2.gz MOHISKWHDUOOGP-VIFPVBQESA-N 1 1 307.310 1.264 20 5 DDBDMO CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000733192174 699582730 /nfs/dbraw/zinc/58/27/30/699582730.db2.gz XFZXCUCSDDSDLF-GFCCVEGCSA-N 1 1 301.350 1.915 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000795673085 699882847 /nfs/dbraw/zinc/88/28/47/699882847.db2.gz RIZLYLZPOOSMBC-KLPPZKSPSA-N 1 1 305.338 1.715 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578715 699940040 /nfs/dbraw/zinc/94/00/40/699940040.db2.gz JXQYSNFJMUYYFS-CQDKDKBSSA-N 1 1 310.350 1.100 20 5 DDBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000761081932 700841633 /nfs/dbraw/zinc/84/16/33/700841633.db2.gz OWNYBOAZBLSBQQ-LLVKDONJSA-N 1 1 307.350 1.597 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762720665 700904530 /nfs/dbraw/zinc/90/45/30/700904530.db2.gz YPCWMVQWVDHTRT-ONOODXEBSA-N 1 1 319.361 1.181 20 5 DDBDMO Cc1nonc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000809744243 701685001 /nfs/dbraw/zinc/68/50/01/701685001.db2.gz CIYZOQIYMNOYAK-VIFPVBQESA-N 1 1 319.321 1.793 20 5 DDBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000767116955 701085050 /nfs/dbraw/zinc/08/50/50/701085050.db2.gz OSEKGCIFCAJLBZ-UKRRQHHQSA-N 1 1 316.361 1.851 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000808215935 701508485 /nfs/dbraw/zinc/50/84/85/701508485.db2.gz FDWNDTLMJGVHGP-CQSZACIVSA-N 1 1 323.397 1.604 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000808215935 701508486 /nfs/dbraw/zinc/50/84/86/701508486.db2.gz FDWNDTLMJGVHGP-CQSZACIVSA-N 1 1 323.397 1.604 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000839693876 701786896 /nfs/dbraw/zinc/78/68/96/701786896.db2.gz RTFCTUSZDBIPCR-TUKIKUTGSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000839693876 701786899 /nfs/dbraw/zinc/78/68/99/701786899.db2.gz RTFCTUSZDBIPCR-TUKIKUTGSA-N 1 1 303.362 1.861 20 5 DDBDMO COCCN(CC(C)C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867946622 701847671 /nfs/dbraw/zinc/84/76/71/701847671.db2.gz SOGMYGGINGFILI-INIZCTEOSA-N 1 1 323.393 1.900 20 5 DDBDMO COCCN(CCF)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867984821 701874766 /nfs/dbraw/zinc/87/47/66/701874766.db2.gz PFZPUQNYNCISPF-CQSZACIVSA-N 1 1 313.329 1.213 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)n1 ZINC000879244224 706627581 /nfs/dbraw/zinc/62/75/81/706627581.db2.gz PHSWNPLSDZTMLH-GOEBONIOSA-N 1 1 316.361 1.989 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118317 701978145 /nfs/dbraw/zinc/97/81/45/701978145.db2.gz DBDZOADAHRXHMU-MCIONIFRSA-N 1 1 308.382 1.991 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000811493556 701993901 /nfs/dbraw/zinc/99/39/01/701993901.db2.gz JAUPWXXZHQWEJD-SWLSCSKDSA-N 1 1 306.318 1.196 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000811493556 701993905 /nfs/dbraw/zinc/99/39/05/701993905.db2.gz JAUPWXXZHQWEJD-SWLSCSKDSA-N 1 1 306.318 1.196 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812344583 702167058 /nfs/dbraw/zinc/16/70/58/702167058.db2.gz VUCXKKFQPJZQBM-NWDGAFQWSA-N 1 1 319.361 1.627 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000842625496 702744971 /nfs/dbraw/zinc/74/49/71/702744971.db2.gz LVAHJVOWFJKYNH-OAHLLOKOSA-N 1 1 304.350 1.897 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000842625496 702744973 /nfs/dbraw/zinc/74/49/73/702744973.db2.gz LVAHJVOWFJKYNH-OAHLLOKOSA-N 1 1 304.350 1.897 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC000843112601 702821285 /nfs/dbraw/zinc/82/12/85/702821285.db2.gz IRMFVOHOFICZPS-HOCLYGCPSA-N 1 1 323.393 1.065 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000846290446 703262608 /nfs/dbraw/zinc/26/26/08/703262608.db2.gz CKJNDYGBWJJBHT-UHFFFAOYSA-N 1 1 309.370 1.280 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1F ZINC000866582123 706735254 /nfs/dbraw/zinc/73/52/54/706735254.db2.gz MPBFTZZHDKJXQH-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1F ZINC000866582123 706735256 /nfs/dbraw/zinc/73/52/56/706735256.db2.gz MPBFTZZHDKJXQH-VIFPVBQESA-N 1 1 317.342 1.025 20 5 DDBDMO CO[C@H](C)C[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485940 703556051 /nfs/dbraw/zinc/55/60/51/703556051.db2.gz BEDOXGMMEVRBFL-DOMZBBRYSA-N 1 1 321.377 1.835 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848485940 703556052 /nfs/dbraw/zinc/55/60/52/703556052.db2.gz BEDOXGMMEVRBFL-DOMZBBRYSA-N 1 1 321.377 1.835 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431435 704044715 /nfs/dbraw/zinc/04/47/15/704044715.db2.gz RQFBZOYIRQKAQD-ZDUSSCGKSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852431435 704044719 /nfs/dbraw/zinc/04/47/19/704044719.db2.gz RQFBZOYIRQKAQD-ZDUSSCGKSA-N 1 1 321.333 1.630 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000819321972 704107333 /nfs/dbraw/zinc/10/73/33/704107333.db2.gz OGRPXRRHNZKITM-XHDPSFHLSA-N 1 1 302.334 1.498 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000853602262 704282922 /nfs/dbraw/zinc/28/29/22/704282922.db2.gz QGHLGBKTOHVOFZ-CYBMUJFWSA-N 1 1 323.397 1.602 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000853602262 704282924 /nfs/dbraw/zinc/28/29/24/704282924.db2.gz QGHLGBKTOHVOFZ-CYBMUJFWSA-N 1 1 323.397 1.602 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000853623823 704288642 /nfs/dbraw/zinc/28/86/42/704288642.db2.gz UFTIQYZAUOSXFK-GASCZTMLSA-N 1 1 306.366 1.950 20 5 DDBDMO Cc1nn(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1[N+](=O)[O-] ZINC000853623823 704288644 /nfs/dbraw/zinc/28/86/44/704288644.db2.gz UFTIQYZAUOSXFK-GASCZTMLSA-N 1 1 306.366 1.950 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821341805 704393587 /nfs/dbraw/zinc/39/35/87/704393587.db2.gz FMUILUOTTFVXCO-MRXNPFEDSA-N 1 1 322.409 1.029 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC000856795792 704538983 /nfs/dbraw/zinc/53/89/83/704538983.db2.gz JZYGBHQKMXLJGP-CMPLNLGQSA-N 1 1 309.322 1.953 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC000856795792 704538984 /nfs/dbraw/zinc/53/89/84/704538984.db2.gz JZYGBHQKMXLJGP-CMPLNLGQSA-N 1 1 309.322 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCSCC1 ZINC000874462412 705076948 /nfs/dbraw/zinc/07/69/48/705076948.db2.gz OCEUKGKAIVLZLE-UHFFFAOYSA-N 1 1 323.418 1.990 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836564 705193961 /nfs/dbraw/zinc/19/39/61/705193961.db2.gz GJWXXFVAYULFIT-CABCVRRESA-N 1 1 303.362 1.832 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874846002 705200276 /nfs/dbraw/zinc/20/02/76/705200276.db2.gz XBZSUSUIASOXQE-LSDHHAIUSA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000824221300 705402440 /nfs/dbraw/zinc/40/24/40/705402440.db2.gz FRPCMBBPWOBEGM-LBPRGKRZSA-N 1 1 323.397 1.288 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000861340624 705433477 /nfs/dbraw/zinc/43/34/77/705433477.db2.gz KGMBBXXQNQFZRZ-ZFWWWQNUSA-N 1 1 308.334 1.861 20 5 DDBDMO CCN(C(=O)Cn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000825017873 705578443 /nfs/dbraw/zinc/57/84/43/705578443.db2.gz BXURNXPBOMFLOK-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000825722251 705722202 /nfs/dbraw/zinc/72/22/02/705722202.db2.gz VSJFELKXXCTGTQ-HNNXBMFYSA-N 1 1 321.377 1.619 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)c1 ZINC000827023022 705914101 /nfs/dbraw/zinc/91/41/01/705914101.db2.gz OXOWXPPTEAKCCV-UHFFFAOYSA-N 1 1 320.393 1.874 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827300686 705971820 /nfs/dbraw/zinc/97/18/20/705971820.db2.gz NCAPKWQUKMILIL-GWCFXTLKSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000827339433 705979892 /nfs/dbraw/zinc/97/98/92/705979892.db2.gz TUPMZCUBSQPLLA-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000828249361 706146457 /nfs/dbraw/zinc/14/64/57/706146457.db2.gz ZZZUWWDCXBVOAY-SUNKGSAMSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000828249361 706146461 /nfs/dbraw/zinc/14/64/61/706146461.db2.gz ZZZUWWDCXBVOAY-SUNKGSAMSA-N 1 1 307.350 1.179 20 5 DDBDMO CC(=O)c1c(NC[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881907149 707418512 /nfs/dbraw/zinc/41/85/12/707418512.db2.gz DBLMNXNKEKMFTF-LBPRGKRZSA-N 1 1 320.393 1.845 20 5 DDBDMO Cc1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000878517382 706413828 /nfs/dbraw/zinc/41/38/28/706413828.db2.gz LBHBICBULJYXNQ-UHFFFAOYSA-N 1 1 301.350 1.949 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000830112906 706457803 /nfs/dbraw/zinc/45/78/03/706457803.db2.gz UIILPSNCEFOTFC-ZWNOBZJWSA-N 1 1 309.341 1.875 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC3(COC3)C2)o1 ZINC000878991077 706554755 /nfs/dbraw/zinc/55/47/55/706554755.db2.gz DWRWMCUCFPNUDI-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC3(COC3)C2)o1 ZINC000878991077 706554758 /nfs/dbraw/zinc/55/47/58/706554758.db2.gz DWRWMCUCFPNUDI-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880377831 706956802 /nfs/dbraw/zinc/95/68/02/706956802.db2.gz GMMNFRWPBVZAQK-GWCFXTLKSA-N 1 1 322.390 1.833 20 5 DDBDMO CC[NH+](CC)Cc1cn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881410807 707243910 /nfs/dbraw/zinc/24/39/10/707243910.db2.gz LVNNOEWBWQRCCG-OAHLLOKOSA-N 1 1 319.365 1.762 20 5 DDBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(Cl)c1 ZINC000872757421 707586568 /nfs/dbraw/zinc/58/65/68/707586568.db2.gz BXRMXZLITMWNLR-GXSJLCMTSA-N 1 1 312.757 1.289 20 5 DDBDMO C[N@@H+](CCNc1cc(Cl)ccc1[N+](=O)[O-])CCOCCO ZINC000882951662 707867325 /nfs/dbraw/zinc/86/73/25/707867325.db2.gz PHFWMDHORNFCJW-UHFFFAOYSA-N 1 1 317.773 1.601 20 5 DDBDMO C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000896619912 708099032 /nfs/dbraw/zinc/09/90/32/708099032.db2.gz OMGMOUBJDIKLFS-VXGBXAGGSA-N 1 1 306.366 1.702 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000896915077 708181881 /nfs/dbraw/zinc/18/18/81/708181881.db2.gz VVFOUTJZHIWMLV-MEDUHNTESA-N 1 1 318.377 1.342 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219638 708257094 /nfs/dbraw/zinc/25/70/94/708257094.db2.gz MFOKNTLWPWLAEH-GHMZBOCLSA-N 1 1 310.329 1.164 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000897710619 708426799 /nfs/dbraw/zinc/42/67/99/708426799.db2.gz ZDADTLDQZZYRNI-UHFFFAOYSA-N 1 1 323.349 1.324 20 5 DDBDMO CCc1ccc(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912606039 713045643 /nfs/dbraw/zinc/04/56/43/713045643.db2.gz IHJHAFNFZRPZJV-UHFFFAOYSA-N 1 1 309.366 1.153 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886176597 708710248 /nfs/dbraw/zinc/71/02/48/708710248.db2.gz HAIUUMGEKVZOPI-CYBMUJFWSA-N 1 1 320.393 1.675 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000886593529 708785329 /nfs/dbraw/zinc/78/53/29/708785329.db2.gz SPGWJKXLOOJURP-ZDUSSCGKSA-N 1 1 323.397 1.370 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886680636 708812482 /nfs/dbraw/zinc/81/24/82/708812482.db2.gz IWGGCZJXRAOFOR-GFCCVEGCSA-N 1 1 302.338 1.461 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403307 709037573 /nfs/dbraw/zinc/03/75/73/709037573.db2.gz SZEOWTDITPDZOM-DOMZBBRYSA-N 1 1 321.377 1.535 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000887403307 709037579 /nfs/dbraw/zinc/03/75/79/709037579.db2.gz SZEOWTDITPDZOM-DOMZBBRYSA-N 1 1 321.377 1.535 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096535 713129034 /nfs/dbraw/zinc/12/90/34/713129034.db2.gz MVOBRTKUXJWBPO-JSGCOSHPSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096535 713129036 /nfs/dbraw/zinc/12/90/36/713129036.db2.gz MVOBRTKUXJWBPO-JSGCOSHPSA-N 1 1 321.402 1.904 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000910205630 709813828 /nfs/dbraw/zinc/81/38/28/709813828.db2.gz LXBYNPBMXIKZML-CYBMUJFWSA-N 1 1 324.381 1.906 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928435836 713194823 /nfs/dbraw/zinc/19/48/23/713194823.db2.gz DEAFQGRXNCMFBS-RYUDHWBXSA-N 1 1 306.366 1.240 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640404 710835151 /nfs/dbraw/zinc/83/51/51/710835151.db2.gz YNQFIRYNLAILAR-GXTWGEPZSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000902640404 710835173 /nfs/dbraw/zinc/83/51/73/710835173.db2.gz YNQFIRYNLAILAR-GXTWGEPZSA-N 1 1 317.349 1.920 20 5 DDBDMO COC(=O)N1CC([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903124290 711040288 /nfs/dbraw/zinc/04/02/88/711040288.db2.gz FAMNRGUGPORQAU-VIFPVBQESA-N 1 1 309.322 1.705 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000903208820 711066182 /nfs/dbraw/zinc/06/61/82/711066182.db2.gz ZTGVPCFOQDHCFW-GFCCVEGCSA-N 1 1 311.363 1.064 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000894406202 711106237 /nfs/dbraw/zinc/10/62/37/711106237.db2.gz OFHAQVJXUYSNKC-LLVKDONJSA-N 1 1 309.366 1.835 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912321315 711278035 /nfs/dbraw/zinc/27/80/35/711278035.db2.gz HAJQFKRGYCSUTN-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895102451 711412950 /nfs/dbraw/zinc/41/29/50/711412950.db2.gz YHQOEDPDCNHGFS-MFKMUULPSA-N 1 1 308.334 1.920 20 5 DDBDMO CC1(C)[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000895977497 711659109 /nfs/dbraw/zinc/65/91/09/711659109.db2.gz GIHFVBYCDHPOSM-VGVVRCBHSA-N 1 1 310.375 1.773 20 5 DDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896570063 711754952 /nfs/dbraw/zinc/75/49/52/711754952.db2.gz XCFKTFONGULAJX-YGRLFVJLSA-N 1 1 324.356 1.098 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000914325479 713378738 /nfs/dbraw/zinc/37/87/38/713378738.db2.gz LECWURGBXPVETF-SMDDNHRTSA-N 1 1 306.366 1.529 20 5 DDBDMO COC/C(C)=C/C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000929171764 713560893 /nfs/dbraw/zinc/56/08/93/713560893.db2.gz ODURHLSSXGXLEP-WLRTZDKTSA-N 1 1 306.366 1.705 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930353098 713811971 /nfs/dbraw/zinc/81/19/71/713811971.db2.gz HFWIBODEMPHSNK-CWRNSKLLSA-N 1 1 306.362 1.873 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000921688520 713843669 /nfs/dbraw/zinc/84/36/69/713843669.db2.gz ZIYSMFGATVZBRH-UHFFFAOYSA-N 1 1 318.333 1.620 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000931123076 714008073 /nfs/dbraw/zinc/00/80/73/714008073.db2.gz KPRKJQPZOXRRAV-UHFFFAOYSA-N 1 1 323.397 1.433 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000934255067 714775992 /nfs/dbraw/zinc/77/59/92/714775992.db2.gz OJJICVSFFDOSSH-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934255067 714775994 /nfs/dbraw/zinc/77/59/94/714775994.db2.gz OJJICVSFFDOSSH-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000934255067 714775996 /nfs/dbraw/zinc/77/59/96/714775996.db2.gz OJJICVSFFDOSSH-JKSUJKDBSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934272206 714783174 /nfs/dbraw/zinc/78/31/74/714783174.db2.gz IISXQMYKXHFQDK-CABCVRRESA-N 1 1 323.368 1.765 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925343013 714820917 /nfs/dbraw/zinc/82/09/17/714820917.db2.gz KVTHVQZDCIDNMQ-TZMCWYRMSA-N 1 1 320.393 1.871 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000352355708 719413141 /nfs/dbraw/zinc/41/31/41/719413141.db2.gz JIQZEOKLQLWFFL-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001120959089 782257522 /nfs/dbraw/zinc/25/75/22/782257522.db2.gz FLZNAZYKKRXQIA-YPMHNXCESA-N 1 1 308.382 1.650 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001121008532 782293198 /nfs/dbraw/zinc/29/31/98/782293198.db2.gz FMVLKIVBSXDQOJ-ADEWGFFLSA-N 1 1 320.349 1.529 20 5 DDBDMO CN(CCNC(=O)Cc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001100354150 738999349 /nfs/dbraw/zinc/99/93/49/738999349.db2.gz MCQZGHZAEPSZPH-UHFFFAOYSA-N 1 1 321.312 1.252 20 5 DDBDMO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035707275 751794055 /nfs/dbraw/zinc/79/40/55/751794055.db2.gz OIHYGKMLAGRZNM-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO Nc1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001196527861 746887739 /nfs/dbraw/zinc/88/77/39/746887739.db2.gz YBHBQDHLSPDBAM-LLVKDONJSA-N 1 1 303.322 1.940 20 5 DDBDMO Cc1ccc(C[NH2+][C@@](C)(Cn2cccn2)C(N)=O)cc1[N+](=O)[O-] ZINC001198574901 747531139 /nfs/dbraw/zinc/53/11/39/747531139.db2.gz VGRWRFHLKCBOGD-HNNXBMFYSA-N 1 1 317.349 1.134 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997774581 751272911 /nfs/dbraw/zinc/27/29/11/751272911.db2.gz FXSHSHREEDEXBE-CHWSQXEVSA-N 1 1 324.406 1.137 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169017556 762197765 /nfs/dbraw/zinc/19/77/65/762197765.db2.gz AOKLOEYQEHEVGY-AEGPPILISA-N 1 1 322.409 1.801 20 5 DDBDMO O=C(NC1CC1)[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169023547 762201088 /nfs/dbraw/zinc/20/10/88/762201088.db2.gz OYWUCPYYTJYXPR-FAHYXWLWSA-N 1 1 321.421 1.668 20 5 DDBDMO Cc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)n1 ZINC001169052444 762207234 /nfs/dbraw/zinc/20/72/34/762207234.db2.gz FXQUKIUJJHCXMG-MGPQQGTHSA-N 1 1 306.366 1.684 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347074 766278121 /nfs/dbraw/zinc/27/81/21/766278121.db2.gz QAHMXNMPQXBTEB-BXUZGUMPSA-N 1 1 321.377 1.874 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347074 766278125 /nfs/dbraw/zinc/27/81/25/766278125.db2.gz QAHMXNMPQXBTEB-BXUZGUMPSA-N 1 1 321.377 1.874 20 5 DDBDMO CCOC(=O)C1=C(Nc2nc(OC)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170512966 767721264 /nfs/dbraw/zinc/72/12/64/767721264.db2.gz AUXKMDQZKGEWGC-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097053599 771599883 /nfs/dbraw/zinc/59/98/83/771599883.db2.gz VJPVHACUSTTZKR-JOCQHMNTSA-N 1 1 320.393 1.996 20 5 DDBDMO CC[C@@]([NH3+])(CO)Nc1nccc(Br)c1[N+](=O)[O-] ZINC001170865269 771777802 /nfs/dbraw/zinc/77/78/02/771777802.db2.gz ZVJVUJSAUDKUFG-VIFPVBQESA-N 1 1 305.132 1.222 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001137039020 772275503 /nfs/dbraw/zinc/27/55/03/772275503.db2.gz OKTULSKYHOQQBP-LLVKDONJSA-N 1 1 321.381 1.376 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCOC[C@@H](O)C1)CC2 ZINC001172903902 776917145 /nfs/dbraw/zinc/91/71/45/776917145.db2.gz JKBXUHKTIIBVFR-ZBFHGGJFSA-N 1 1 306.362 1.535 20 5 DDBDMO COc1ncnc2c1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169021296 850518686 /nfs/dbraw/zinc/51/86/86/850518686.db2.gz KLLPFFRQTUERTH-RYUDHWBXSA-N 1 1 306.366 1.331 20 5 DDBDMO Cc1nc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001327720241 862411575 /nfs/dbraw/zinc/41/15/75/862411575.db2.gz CKHBGAQENQZNRB-GARJFASQSA-N 1 1 309.370 1.603 20 5 DDBDMO Cc1nc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001327720241 862411590 /nfs/dbraw/zinc/41/15/90/862411590.db2.gz CKHBGAQENQZNRB-GARJFASQSA-N 1 1 309.370 1.603 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001153801750 864115091 /nfs/dbraw/zinc/11/50/91/864115091.db2.gz BPWGHKOKJYZAMH-LBPRGKRZSA-N 1 1 323.397 1.515 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001157818825 864169938 /nfs/dbraw/zinc/16/99/38/864169938.db2.gz YFFGPQPZNWMBRS-NSHDSACASA-N 1 1 307.354 1.128 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001157818825 864169942 /nfs/dbraw/zinc/16/99/42/864169942.db2.gz YFFGPQPZNWMBRS-NSHDSACASA-N 1 1 307.354 1.128 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159300235 865210301 /nfs/dbraw/zinc/21/03/01/865210301.db2.gz XBGHAXWJYOHXRE-UHFFFAOYSA-N 1 1 302.294 1.172 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001159789039 865524429 /nfs/dbraw/zinc/52/44/29/865524429.db2.gz PVGDLQYEYVQHJY-ZDUSSCGKSA-N 1 1 302.338 1.487 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C(C)C)[C@H](C)C1 ZINC001165198824 869422491 /nfs/dbraw/zinc/42/24/91/869422491.db2.gz JFBPVLQZSLCLKT-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001165301156 869508330 /nfs/dbraw/zinc/50/83/30/869508330.db2.gz YKJOQVYWOOJFJB-NSHDSACASA-N 1 1 318.377 1.982 20 5 DDBDMO COC(=O)c1cc(C)nc(NCCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC001337710744 869604144 /nfs/dbraw/zinc/60/41/44/869604144.db2.gz XVYOZBFSVQSLLE-UHFFFAOYSA-N 1 1 319.321 1.473 20 5 DDBDMO Cc1cc(OCC(=O)NC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339268224 870429994 /nfs/dbraw/zinc/42/99/94/870429994.db2.gz XCOVECHBCROMJM-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO COc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815421 870713286 /nfs/dbraw/zinc/71/32/86/870713286.db2.gz MPDPUAWHOPFNBN-FZMZJTMJSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339815421 870713296 /nfs/dbraw/zinc/71/32/96/870713296.db2.gz MPDPUAWHOPFNBN-FZMZJTMJSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339815421 870713311 /nfs/dbraw/zinc/71/33/11/870713311.db2.gz MPDPUAWHOPFNBN-FZMZJTMJSA-N 1 1 308.382 1.650 20 5 DDBDMO COC(=O)c1cnc(NC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001339859040 870741256 /nfs/dbraw/zinc/74/12/56/870741256.db2.gz ZCHPTVXDNPZOLO-NSHDSACASA-N 1 1 308.338 1.673 20 5 DDBDMO Cn1c[nH+]c(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)c1 ZINC001307340700 871422089 /nfs/dbraw/zinc/42/20/89/871422089.db2.gz ZYLUOAFVQDXVGL-UHFFFAOYSA-N 1 1 301.262 1.193 20 5 DDBDMO CCc1nc2c(c(O[C@H](C[N+](=O)[O-])c3cccnc3)n1)C[NH2+]C2 ZINC001218296172 877446732 /nfs/dbraw/zinc/44/67/32/877446732.db2.gz KEIRVPZAMSKMRD-CYBMUJFWSA-N 1 1 315.333 1.434 20 5 DDBDMO Nc1ccc2n(C(=O)[C@@H]3COC[NH2+]3)c3ccccc3cc-2c1=O ZINC001219253943 878062136 /nfs/dbraw/zinc/06/21/36/878062136.db2.gz PALODYRZEAOMJR-ZDUSSCGKSA-N 1 1 309.325 1.275 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)[C@H]1CC(=O)C2 ZINC001227691481 883134048 /nfs/dbraw/zinc/13/40/48/883134048.db2.gz OZCVOZBHQGJMRE-NMLBEHRDSA-N 1 1 317.305 1.049 20 5 DDBDMO O=c1[nH]c(C2CC2)nc(O[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001228604843 883569766 /nfs/dbraw/zinc/56/97/66/883569766.db2.gz WXADJCGHHYNZGO-JTQLQIEISA-N 1 1 306.322 1.441 20 5 DDBDMO CN1CCc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2C1 ZINC001228936862 883739854 /nfs/dbraw/zinc/73/98/54/883739854.db2.gz OTCDXMFTFYJOJP-OAHLLOKOSA-N 1 1 307.414 1.037 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001229059779 883796086 /nfs/dbraw/zinc/79/60/86/883796086.db2.gz VDTYFZSXCRJQKL-LLVKDONJSA-N 1 1 317.301 1.972 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229138912 883844441 /nfs/dbraw/zinc/84/44/41/883844441.db2.gz RIDHVVIYDMZAFQ-GFCCVEGCSA-N 1 1 308.334 1.897 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cccc(C(C)=O)c2[N+](=O)[O-])C1 ZINC001229138912 883844453 /nfs/dbraw/zinc/84/44/53/883844453.db2.gz RIDHVVIYDMZAFQ-GFCCVEGCSA-N 1 1 308.334 1.897 20 5 DDBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CC[N+](=O)[O-])C[C@@H]21 ZINC001262256054 900055771 /nfs/dbraw/zinc/05/57/71/900055771.db2.gz DYEHYZDGVASTLZ-FRRDWIJNSA-N 1 1 313.398 1.888 20 5 DDBDMO Cc1ncsc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985037 901393152 /nfs/dbraw/zinc/39/31/52/901393152.db2.gz KXOJBXFTYVZJHX-GHMZBOCLSA-N 1 1 312.395 1.055 20 5 DDBDMO Cc1ncsc1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985037 901393160 /nfs/dbraw/zinc/39/31/60/901393160.db2.gz KXOJBXFTYVZJHX-GHMZBOCLSA-N 1 1 312.395 1.055 20 5 DDBDMO Cc1ncsc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985037 901393168 /nfs/dbraw/zinc/39/31/68/901393168.db2.gz KXOJBXFTYVZJHX-GHMZBOCLSA-N 1 1 312.395 1.055 20 5 DDBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000278261681 214053699 /nfs/dbraw/zinc/05/36/99/214053699.db2.gz IGZVKZREEOZTEX-HIFRSBDPSA-N 1 1 324.377 1.441 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305761234 231042629 /nfs/dbraw/zinc/04/26/29/231042629.db2.gz LIASSDBOXRMLCT-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CN1 ZINC000278765997 214385250 /nfs/dbraw/zinc/38/52/50/214385250.db2.gz BZLHQJJBPIYRSN-OAHLLOKOSA-N 1 1 316.317 1.448 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CN1 ZINC000278765988 214386069 /nfs/dbraw/zinc/38/60/69/214386069.db2.gz BZLHQJJBPIYRSN-HNNXBMFYSA-N 1 1 316.317 1.448 20 5 DDBDMO CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250336 529443678 /nfs/dbraw/zinc/44/36/78/529443678.db2.gz IXQRRSOSLGFNBW-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250336 529443681 /nfs/dbraw/zinc/44/36/81/529443681.db2.gz IXQRRSOSLGFNBW-NHYWBVRUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452063835 231286899 /nfs/dbraw/zinc/28/68/99/231286899.db2.gz CKWOCFPCJRPCEB-SMDDNHRTSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000452063835 231286903 /nfs/dbraw/zinc/28/69/03/231286903.db2.gz CKWOCFPCJRPCEB-SMDDNHRTSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452171778 231322579 /nfs/dbraw/zinc/32/25/79/231322579.db2.gz RZZGRKJRRNSSSN-LLVKDONJSA-N 1 1 318.377 1.855 20 5 DDBDMO CO[C@]1(C)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000279313534 214785409 /nfs/dbraw/zinc/78/54/09/214785409.db2.gz NKOZJWBPKPHLMS-GDBMZVCRSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358335164 299124876 /nfs/dbraw/zinc/12/48/76/299124876.db2.gz ZBKFUNWRLTUXAF-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000272670739 210077140 /nfs/dbraw/zinc/07/71/40/210077140.db2.gz KNLJKQDYOPFQJW-KOLCDFICSA-N 1 1 305.334 1.655 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000272670739 210077142 /nfs/dbraw/zinc/07/71/42/210077142.db2.gz KNLJKQDYOPFQJW-KOLCDFICSA-N 1 1 305.334 1.655 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])s1 ZINC000331327395 233082259 /nfs/dbraw/zinc/08/22/59/233082259.db2.gz NGJYZJNVWJJGLX-SNVBAGLBSA-N 1 1 313.379 1.233 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc([N+](=O)[O-])s1 ZINC000331327395 233082270 /nfs/dbraw/zinc/08/22/70/233082270.db2.gz NGJYZJNVWJJGLX-SNVBAGLBSA-N 1 1 313.379 1.233 20 5 DDBDMO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000358458806 299158747 /nfs/dbraw/zinc/15/87/47/299158747.db2.gz CJAGPNDINHXRHK-HNNXBMFYSA-N 1 1 303.362 1.832 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC[C@](O)(CO)C2)ccc1[N+](=O)[O-] ZINC000459628650 233385604 /nfs/dbraw/zinc/38/56/04/233385604.db2.gz FZYYTZXMRQUGDU-OAHLLOKOSA-N 1 1 310.350 1.313 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@](O)(CO)C2)ccc1[N+](=O)[O-] ZINC000459628650 233385612 /nfs/dbraw/zinc/38/56/12/233385612.db2.gz FZYYTZXMRQUGDU-OAHLLOKOSA-N 1 1 310.350 1.313 20 5 DDBDMO COc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000172298924 198073590 /nfs/dbraw/zinc/07/35/90/198073590.db2.gz BMWZTRKQQDOURR-CYBMUJFWSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000172298924 198073591 /nfs/dbraw/zinc/07/35/91/198073591.db2.gz BMWZTRKQQDOURR-CYBMUJFWSA-N 1 1 310.350 1.577 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041716301 352311700 /nfs/dbraw/zinc/31/17/00/352311700.db2.gz ABBNQTQHLRSBHG-UHFFFAOYSA-N 1 1 322.365 1.380 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000064354018 352935367 /nfs/dbraw/zinc/93/53/67/352935367.db2.gz KJQYUKBEXOGCRX-SECBINFHSA-N 1 1 307.310 1.252 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000065867396 352966897 /nfs/dbraw/zinc/96/68/97/352966897.db2.gz UJBDVVJBXVMRNI-NEPJUHHUSA-N 1 1 323.397 1.336 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000358556342 299197148 /nfs/dbraw/zinc/19/71/48/299197148.db2.gz RBSZDXMMMYURBO-UHFFFAOYSA-N 1 1 320.393 1.585 20 5 DDBDMO O=C1CCCN1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665036 353208027 /nfs/dbraw/zinc/20/80/27/353208027.db2.gz XWOLIFAPHRBQEC-GFCCVEGCSA-N 1 1 319.365 1.098 20 5 DDBDMO Cc1ccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000074096053 353290209 /nfs/dbraw/zinc/29/02/09/353290209.db2.gz NSYYKYIGPGNSHQ-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174341867 198322189 /nfs/dbraw/zinc/32/21/89/198322189.db2.gz BYZPLROHNFPBLI-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000174341867 198322190 /nfs/dbraw/zinc/32/21/90/198322190.db2.gz BYZPLROHNFPBLI-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078612849 353524386 /nfs/dbraw/zinc/52/43/86/353524386.db2.gz SXQQDINFDDAANZ-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078612849 353524387 /nfs/dbraw/zinc/52/43/87/353524387.db2.gz SXQQDINFDDAANZ-UHFFFAOYSA-N 1 1 314.345 1.730 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000089968764 353786459 /nfs/dbraw/zinc/78/64/59/353786459.db2.gz ISDYEABCKMNBMF-UHFFFAOYSA-N 1 1 308.260 1.181 20 5 DDBDMO Cc1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153796872 354201587 /nfs/dbraw/zinc/20/15/87/354201587.db2.gz MTLKZMVBEPOREX-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153796872 354201591 /nfs/dbraw/zinc/20/15/91/354201591.db2.gz MTLKZMVBEPOREX-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423504 354225323 /nfs/dbraw/zinc/22/53/23/354225323.db2.gz QHMBDNCOKOSXEB-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000157423504 354225327 /nfs/dbraw/zinc/22/53/27/354225327.db2.gz QHMBDNCOKOSXEB-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470813 354368969 /nfs/dbraw/zinc/36/89/69/354368969.db2.gz VJYJQXLRXJWSBF-MJBXVCDLSA-N 1 1 324.377 1.570 20 5 DDBDMO CC[NH2+]CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313662824 354481221 /nfs/dbraw/zinc/48/12/21/354481221.db2.gz LOZULBRJQHQJCU-UHFFFAOYSA-N 1 1 305.331 1.012 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000319123280 354520148 /nfs/dbraw/zinc/52/01/48/354520148.db2.gz QUQFOVITXDOTBT-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000319123280 354520152 /nfs/dbraw/zinc/52/01/52/354520152.db2.gz QUQFOVITXDOTBT-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310474 358490417 /nfs/dbraw/zinc/49/04/17/358490417.db2.gz PMJFASSNPBLPCY-SKDRFNHKSA-N 1 1 307.325 1.946 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC000589496338 354996047 /nfs/dbraw/zinc/99/60/47/354996047.db2.gz QCLUDLDQQVFFLE-NSHDSACASA-N 1 1 322.317 1.376 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(=O)OC)C2)c1 ZINC000589496338 354996049 /nfs/dbraw/zinc/99/60/49/354996049.db2.gz QCLUDLDQQVFFLE-NSHDSACASA-N 1 1 322.317 1.376 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590010684 355039961 /nfs/dbraw/zinc/03/99/61/355039961.db2.gz OTTZBKPGGDFLLC-GXTWGEPZSA-N 1 1 318.377 1.478 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590047001 355043328 /nfs/dbraw/zinc/04/33/28/355043328.db2.gz SCONKIOSKQMRRM-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590441585 355095722 /nfs/dbraw/zinc/09/57/22/355095722.db2.gz DAKPKNWYHNDAFA-SMDDNHRTSA-N 1 1 304.350 1.413 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443482 355097461 /nfs/dbraw/zinc/09/74/61/355097461.db2.gz KMXMLCYFLYROCA-UWVGGRQHSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443482 355097466 /nfs/dbraw/zinc/09/74/66/355097466.db2.gz KMXMLCYFLYROCA-UWVGGRQHSA-N 1 1 307.354 1.217 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443482 355097469 /nfs/dbraw/zinc/09/74/69/355097469.db2.gz KMXMLCYFLYROCA-UWVGGRQHSA-N 1 1 307.354 1.217 20 5 DDBDMO O=C1NC2(CO1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000495291594 235158872 /nfs/dbraw/zinc/15/88/72/235158872.db2.gz KDKFOLGBHKLCBB-UHFFFAOYSA-N 1 1 309.297 1.808 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593165857 355816090 /nfs/dbraw/zinc/81/60/90/355816090.db2.gz WTWAQKDXYUUNKS-CYBMUJFWSA-N 1 1 309.341 1.829 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000593505594 355906445 /nfs/dbraw/zinc/90/64/45/355906445.db2.gz YAKPZRUQYDEXLS-CQSZACIVSA-N 1 1 313.361 1.748 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C(C)(C)CC)CC2)c1[N+](=O)[O-] ZINC000594389039 356193435 /nfs/dbraw/zinc/19/34/35/356193435.db2.gz DPANRKHEPODADW-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO O=[N+]([O-])c1ccc(-n2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000594640747 356269009 /nfs/dbraw/zinc/26/90/09/356269009.db2.gz PSUPRSIYIVUQAU-AWEZNQCLSA-N 1 1 303.322 1.132 20 5 DDBDMO O=[N+]([O-])c1ccc(-n2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1 ZINC000594640747 356269014 /nfs/dbraw/zinc/26/90/14/356269014.db2.gz PSUPRSIYIVUQAU-AWEZNQCLSA-N 1 1 303.322 1.132 20 5 DDBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000080791380 192190694 /nfs/dbraw/zinc/19/06/94/192190694.db2.gz CGPSEWFHCAYXLY-UHFFFAOYSA-N 1 1 315.395 1.605 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000595033063 356375224 /nfs/dbraw/zinc/37/52/24/356375224.db2.gz AJLZHVHTAXNYFS-ZJUUUORDSA-N 1 1 316.379 1.687 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000595374585 356470118 /nfs/dbraw/zinc/47/01/18/356470118.db2.gz HALOVOKNTAHWME-SNVBAGLBSA-N 1 1 319.321 1.673 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000595374585 356470121 /nfs/dbraw/zinc/47/01/21/356470121.db2.gz HALOVOKNTAHWME-SNVBAGLBSA-N 1 1 319.321 1.673 20 5 DDBDMO Cc1noc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595496404 356518948 /nfs/dbraw/zinc/51/89/48/356518948.db2.gz BLJIFNFYEVADKU-NSHDSACASA-N 1 1 324.381 1.576 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1c[nH]cn1 ZINC000595595606 356568210 /nfs/dbraw/zinc/56/82/10/356568210.db2.gz YOPPHXCGHHNBLB-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1c[nH]cn1 ZINC000595595606 356568215 /nfs/dbraw/zinc/56/82/15/356568215.db2.gz YOPPHXCGHHNBLB-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnc[nH]1 ZINC000595595606 356568220 /nfs/dbraw/zinc/56/82/20/356568220.db2.gz YOPPHXCGHHNBLB-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnc[nH]1 ZINC000595595606 356568223 /nfs/dbraw/zinc/56/82/23/356568223.db2.gz YOPPHXCGHHNBLB-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000595835708 356671544 /nfs/dbraw/zinc/67/15/44/356671544.db2.gz WYPIQJBOIARXJA-UHFFFAOYSA-N 1 1 305.334 1.564 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC2(COC2)C1 ZINC000595835708 356671547 /nfs/dbraw/zinc/67/15/47/356671547.db2.gz WYPIQJBOIARXJA-UHFFFAOYSA-N 1 1 305.334 1.564 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595871947 356686801 /nfs/dbraw/zinc/68/68/01/356686801.db2.gz IXWCYTFQLSDQEG-BONVTDFDSA-N 1 1 307.350 1.144 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nc1 ZINC000596515138 356902315 /nfs/dbraw/zinc/90/23/15/356902315.db2.gz WKBSHHNGXPOAFO-CHWSQXEVSA-N 1 1 319.365 1.440 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)OCCO2 ZINC000597228572 357102900 /nfs/dbraw/zinc/10/29/00/357102900.db2.gz DKEOQYILYAUYQH-UHFFFAOYSA-N 1 1 306.318 1.588 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC3(COC3)C1)OCCO2 ZINC000597228572 357102901 /nfs/dbraw/zinc/10/29/01/357102901.db2.gz DKEOQYILYAUYQH-UHFFFAOYSA-N 1 1 306.318 1.588 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000597714279 357299148 /nfs/dbraw/zinc/29/91/48/357299148.db2.gz HYYWNJNVSCZKMO-OAHLLOKOSA-N 1 1 321.381 1.126 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597716944 357299931 /nfs/dbraw/zinc/29/99/31/357299931.db2.gz UFHDEVMLWVCTPH-HNNXBMFYSA-N 1 1 306.366 1.491 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000597599648 357247861 /nfs/dbraw/zinc/24/78/61/357247861.db2.gz FJAJZEJQBUGHGD-UHFFFAOYSA-N 1 1 305.334 1.682 20 5 DDBDMO CC1=CCN(CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000597599648 357247864 /nfs/dbraw/zinc/24/78/64/357247864.db2.gz FJAJZEJQBUGHGD-UHFFFAOYSA-N 1 1 305.334 1.682 20 5 DDBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597947223 357395212 /nfs/dbraw/zinc/39/52/12/357395212.db2.gz WABXGJMKMGWTNT-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598466823 357593582 /nfs/dbraw/zinc/59/35/82/357593582.db2.gz WNSPLXNYRQYETN-UHFFFAOYSA-N 1 1 311.386 1.418 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913255 357757028 /nfs/dbraw/zinc/75/70/28/357757028.db2.gz GZTHGHCOYVPPDY-UHFFFAOYSA-N 1 1 308.672 1.964 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(C)COC1 ZINC000599571863 357979190 /nfs/dbraw/zinc/97/91/90/357979190.db2.gz VVQCYLZNPCSRDV-UHFFFAOYSA-N 1 1 319.361 1.452 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(C)COC1 ZINC000599571863 357979195 /nfs/dbraw/zinc/97/91/95/357979195.db2.gz VVQCYLZNPCSRDV-UHFFFAOYSA-N 1 1 319.361 1.452 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1C[C@@H](O)C1 ZINC000599672347 358019382 /nfs/dbraw/zinc/01/93/82/358019382.db2.gz MAFLANDALMINAM-WJONMLJTSA-N 1 1 308.334 1.664 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600309482 358192264 /nfs/dbraw/zinc/19/22/64/358192264.db2.gz AISYIBJKKWDQPM-GFCCVEGCSA-N 1 1 306.366 1.760 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@]3(CCO)CCOC3)c2c1 ZINC000601129183 358414553 /nfs/dbraw/zinc/41/45/53/358414553.db2.gz CRQBNAJXLKTTRB-INIZCTEOSA-N 1 1 317.345 1.766 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ccsc1[N+](=O)[O-] ZINC000601165726 358429188 /nfs/dbraw/zinc/42/91/88/358429188.db2.gz FRDCPJUAJFAYJI-UHFFFAOYSA-N 1 1 300.428 1.976 20 5 DDBDMO CN(CCCN(C)c1ccsc1[N+](=O)[O-])CC[NH+](C)C ZINC000601165726 358429192 /nfs/dbraw/zinc/42/91/92/358429192.db2.gz FRDCPJUAJFAYJI-UHFFFAOYSA-N 1 1 300.428 1.976 20 5 DDBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602427402 358969624 /nfs/dbraw/zinc/96/96/24/358969624.db2.gz GUBPGYRSBXYGLD-VIFPVBQESA-N 1 1 317.267 1.921 20 5 DDBDMO Cn1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602479861 359005532 /nfs/dbraw/zinc/00/55/32/359005532.db2.gz RGSZSPOIXZSPRB-ZDUSSCGKSA-N 1 1 307.398 1.492 20 5 DDBDMO Cn1cc(C[NH+]2CCC(c3ccncn3)CC2)c([N+](=O)[O-])n1 ZINC000602688711 359125741 /nfs/dbraw/zinc/12/57/41/359125741.db2.gz YGIWLVOJFXYIGM-UHFFFAOYSA-N 1 1 302.338 1.498 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602837807 359227564 /nfs/dbraw/zinc/22/75/64/359227564.db2.gz AAEUEOCDPILXJZ-KOLCDFICSA-N 1 1 322.287 1.345 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000602821804 359215965 /nfs/dbraw/zinc/21/59/65/359215965.db2.gz ACWYRPRIPKJFLL-DLBZAZTESA-N 1 1 322.405 1.981 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000602951379 359317531 /nfs/dbraw/zinc/31/75/31/359317531.db2.gz JAIATILNGJUXIF-YPMHNXCESA-N 1 1 319.365 1.278 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899322 359281281 /nfs/dbraw/zinc/28/12/81/359281281.db2.gz PNCNHHNHGNOMIP-UKRRQHHQSA-N 1 1 310.350 1.181 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000186740693 200001410 /nfs/dbraw/zinc/00/14/10/200001410.db2.gz BFMXOBNVHQGZKG-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000603401240 359617732 /nfs/dbraw/zinc/61/77/32/359617732.db2.gz KICFDKWFIGFDRJ-LLVKDONJSA-N 1 1 309.370 1.018 20 5 DDBDMO Cn1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430801 359635149 /nfs/dbraw/zinc/63/51/49/359635149.db2.gz VAIXNJCVJXTNOS-MCIONIFRSA-N 1 1 323.397 1.189 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(O)CCOCC1 ZINC000187059862 200054854 /nfs/dbraw/zinc/05/48/54/200054854.db2.gz QBUVMJNLOBTSLF-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000610213581 360391753 /nfs/dbraw/zinc/39/17/53/360391753.db2.gz GZVRRJWHIHJNHP-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000610213581 360391757 /nfs/dbraw/zinc/39/17/57/360391757.db2.gz GZVRRJWHIHJNHP-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO COC[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610615796 360482272 /nfs/dbraw/zinc/48/22/72/360482272.db2.gz XWBUQSZIOYXDOZ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO COC[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610615796 360482276 /nfs/dbraw/zinc/48/22/76/360482276.db2.gz XWBUQSZIOYXDOZ-CQSZACIVSA-N 1 1 307.350 1.668 20 5 DDBDMO Cc1cccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000611165998 360642999 /nfs/dbraw/zinc/64/29/99/360642999.db2.gz VKCZGZJDGCLPRB-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000271889664 209299585 /nfs/dbraw/zinc/29/95/85/209299585.db2.gz DLXBPHYEKYDLGP-UHFFFAOYSA-N 1 1 320.305 1.495 20 5 DDBDMO NC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193716509 201109472 /nfs/dbraw/zinc/10/94/72/201109472.db2.gz SARPGNFPRMHHMJ-UHFFFAOYSA-N 1 1 322.321 1.590 20 5 DDBDMO COc1cccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000194771735 201285759 /nfs/dbraw/zinc/28/57/59/201285759.db2.gz ALINHKKVEDEFLC-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253546 363946803 /nfs/dbraw/zinc/94/68/03/363946803.db2.gz YTAIDAHXHDPLKB-GJZGRUSLSA-N 1 1 321.352 1.782 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000619473976 364028543 /nfs/dbraw/zinc/02/85/43/364028543.db2.gz KRECUWJJKNRQJM-ZDUSSCGKSA-N 1 1 323.397 1.421 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1 ZINC000359279055 299392403 /nfs/dbraw/zinc/39/24/03/299392403.db2.gz BRASWVPSMITRTK-CYBMUJFWSA-N 1 1 321.377 1.744 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000264698900 204086873 /nfs/dbraw/zinc/08/68/73/204086873.db2.gz VVWYBIJBFQBSDC-SECBINFHSA-N 1 1 309.370 1.483 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264939354 204286260 /nfs/dbraw/zinc/28/62/60/204286260.db2.gz VJMUCCSPRPEXSX-NSHDSACASA-N 1 1 302.334 1.900 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000266194177 205172753 /nfs/dbraw/zinc/17/27/53/205172753.db2.gz HLFFQPLTUOJQNY-LLVKDONJSA-N 1 1 321.381 1.257 20 5 DDBDMO C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282898394 217310010 /nfs/dbraw/zinc/31/00/10/217310010.db2.gz WRHQSAJDUKYOAT-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000282898394 217310011 /nfs/dbraw/zinc/31/00/11/217310011.db2.gz WRHQSAJDUKYOAT-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 ZINC000267558126 206143749 /nfs/dbraw/zinc/14/37/49/206143749.db2.gz ABJBLEFODYHPGX-LRDDRELGSA-N 1 1 323.368 1.886 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 ZINC000267558126 206143755 /nfs/dbraw/zinc/14/37/55/206143755.db2.gz ABJBLEFODYHPGX-LRDDRELGSA-N 1 1 323.368 1.886 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCn2cc[nH+]c2C)n1 ZINC000338330637 249910497 /nfs/dbraw/zinc/91/04/97/249910497.db2.gz DXIMRIMRYXLIHZ-UHFFFAOYSA-N 1 1 306.326 1.136 20 5 DDBDMO C[N@@H+](CCCC(=O)NC(N)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285213795 218335747 /nfs/dbraw/zinc/33/57/47/218335747.db2.gz DWQINGGKBPHLIY-UHFFFAOYSA-N 1 1 308.338 1.044 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCN1CCOCC1)C1CC1 ZINC000340718626 251175759 /nfs/dbraw/zinc/17/57/59/251175759.db2.gz IIOVIHXLSFVGBN-UHFFFAOYSA-N 1 1 305.378 1.891 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCN1CCOCC1)C1CC1 ZINC000340718626 251175761 /nfs/dbraw/zinc/17/57/61/251175761.db2.gz IIOVIHXLSFVGBN-UHFFFAOYSA-N 1 1 305.378 1.891 20 5 DDBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000065208958 184314493 /nfs/dbraw/zinc/31/44/93/184314493.db2.gz JZKGASUWMXCRPK-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000065208958 184314494 /nfs/dbraw/zinc/31/44/94/184314494.db2.gz JZKGASUWMXCRPK-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000486945258 285106875 /nfs/dbraw/zinc/10/68/75/285106875.db2.gz YGOGZYGCZIBSGK-UHFFFAOYSA-N 1 1 315.333 1.929 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000157906003 197225255 /nfs/dbraw/zinc/22/52/55/197225255.db2.gz NNOLJQHYZLEBST-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2cccc(F)c2C1 ZINC000157906003 197225257 /nfs/dbraw/zinc/22/52/57/197225257.db2.gz NNOLJQHYZLEBST-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000352660764 285204877 /nfs/dbraw/zinc/20/48/77/285204877.db2.gz TVIVGBBDAJDQKS-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000289755940 221203553 /nfs/dbraw/zinc/20/35/53/221203553.db2.gz IOAFVWCSOWNKSN-ZDUSSCGKSA-N 1 1 314.345 1.979 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414321914 533223398 /nfs/dbraw/zinc/22/33/98/533223398.db2.gz DSONXHUTOQYFNL-UHFFFAOYSA-N 1 1 319.365 1.693 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000569041922 304331979 /nfs/dbraw/zinc/33/19/79/304331979.db2.gz VIUTZWFLIJLKRY-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO COC(=O)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000074321280 406908023 /nfs/dbraw/zinc/90/80/23/406908023.db2.gz UWOXKSHXKXQJMX-UHFFFAOYSA-N 1 1 323.349 1.467 20 5 DDBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572711 407034548 /nfs/dbraw/zinc/03/45/48/407034548.db2.gz GGEGAQUAOXFEJY-LLVKDONJSA-N 1 1 313.379 1.215 20 5 DDBDMO CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000050784398 407132781 /nfs/dbraw/zinc/13/27/81/407132781.db2.gz WOBDKWAJXZGFHD-CQSZACIVSA-N 1 1 317.345 1.959 20 5 DDBDMO CC[N@@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620196 407142540 /nfs/dbraw/zinc/14/25/40/407142540.db2.gz GHKVTMIVDOLSGG-UHFFFAOYSA-N 1 1 301.368 1.362 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000090524937 407168248 /nfs/dbraw/zinc/16/82/48/407168248.db2.gz OUDCIMBOEZKJMN-ZDUSSCGKSA-N 1 1 317.349 1.290 20 5 DDBDMO CC(=O)N1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900361 407208009 /nfs/dbraw/zinc/20/80/09/407208009.db2.gz GGCYQRRXPLCZFV-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO CC[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125327009 407385301 /nfs/dbraw/zinc/38/53/01/407385301.db2.gz FSZXQOYOXCVEAQ-SNVBAGLBSA-N 1 1 321.333 1.994 20 5 DDBDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000125327009 407385302 /nfs/dbraw/zinc/38/53/02/407385302.db2.gz FSZXQOYOXCVEAQ-SNVBAGLBSA-N 1 1 321.333 1.994 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125229540 407382717 /nfs/dbraw/zinc/38/27/17/407382717.db2.gz WCEWVXPVYWNCPV-LLVKDONJSA-N 1 1 309.370 1.275 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000185775415 407500678 /nfs/dbraw/zinc/50/06/78/407500678.db2.gz DRHXKDUSUSXYEC-WDEREUQCSA-N 1 1 306.322 1.004 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000271005836 407462712 /nfs/dbraw/zinc/46/27/12/407462712.db2.gz ZEZYSRVSKDWVEW-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000271005836 407462717 /nfs/dbraw/zinc/46/27/17/407462717.db2.gz ZEZYSRVSKDWVEW-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185820245 407511095 /nfs/dbraw/zinc/51/10/95/407511095.db2.gz QTDXWVQKRDJVPU-PSASIEDQSA-N 1 1 306.322 1.050 20 5 DDBDMO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114062257 407534484 /nfs/dbraw/zinc/53/44/84/407534484.db2.gz WZIMANYCLBZJTG-NSHDSACASA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000114062257 407534492 /nfs/dbraw/zinc/53/44/92/407534492.db2.gz WZIMANYCLBZJTG-NSHDSACASA-N 1 1 323.349 1.583 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000185945516 407546750 /nfs/dbraw/zinc/54/67/50/407546750.db2.gz NRDTZBQHHSPDQH-OAHLLOKOSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000185945516 407546757 /nfs/dbraw/zinc/54/67/57/407546757.db2.gz NRDTZBQHHSPDQH-OAHLLOKOSA-N 1 1 307.350 1.704 20 5 DDBDMO C[NH+](C)C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199433 407549701 /nfs/dbraw/zinc/54/97/01/407549701.db2.gz ZAYUULVCSNUWAN-CYBMUJFWSA-N 1 1 320.393 1.807 20 5 DDBDMO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000171248585 407640705 /nfs/dbraw/zinc/64/07/05/407640705.db2.gz XGOVJWSVOQPHTO-ZDUSSCGKSA-N 1 1 320.393 1.189 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000115437993 407679526 /nfs/dbraw/zinc/67/95/26/407679526.db2.gz PEUCKJHWAOFQQQ-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000262029675 407717528 /nfs/dbraw/zinc/71/75/28/407717528.db2.gz JRMBARQKEGORHL-PHIMTYICSA-N 1 1 311.363 1.110 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000117285304 407819651 /nfs/dbraw/zinc/81/96/51/407819651.db2.gz FGDIXTBUUWOYKO-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000117285304 407819660 /nfs/dbraw/zinc/81/96/60/407819660.db2.gz FGDIXTBUUWOYKO-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000117290553 407823962 /nfs/dbraw/zinc/82/39/62/407823962.db2.gz DAROVFIZKYQWBC-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000117290553 407823964 /nfs/dbraw/zinc/82/39/64/407823964.db2.gz DAROVFIZKYQWBC-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000118119474 407895164 /nfs/dbraw/zinc/89/51/64/407895164.db2.gz ZIMJMCYUDXSSNY-UHFFFAOYSA-N 1 1 322.365 1.380 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153792641 407903452 /nfs/dbraw/zinc/90/34/52/407903452.db2.gz MIIKYEDQKAFBNF-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147752 407913174 /nfs/dbraw/zinc/91/31/74/407913174.db2.gz FKWCDIKLEIEZFC-OTYXRUKQSA-N 1 1 307.325 1.946 20 5 DDBDMO CCOC(=O)c1ccnc(NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000133474562 407847788 /nfs/dbraw/zinc/84/77/88/407847788.db2.gz MLHTZLQPTWIMHC-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000245442851 407983628 /nfs/dbraw/zinc/98/36/28/407983628.db2.gz WQYCPTPBACKFJC-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000245442851 407983634 /nfs/dbraw/zinc/98/36/34/407983634.db2.gz WQYCPTPBACKFJC-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO CC[N@@H+](C)CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272525897 407961550 /nfs/dbraw/zinc/96/15/50/407961550.db2.gz LXQJSOKPHORXSM-HNNXBMFYSA-N 1 1 317.393 1.959 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CC1 ZINC000272447291 407926724 /nfs/dbraw/zinc/92/67/24/407926724.db2.gz QCSUVTWCOIYCHV-UHFFFAOYSA-N 1 1 307.306 1.148 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181888821 408049801 /nfs/dbraw/zinc/04/98/01/408049801.db2.gz KDVUQCYUCGMXRW-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181888821 408049810 /nfs/dbraw/zinc/04/98/10/408049810.db2.gz KDVUQCYUCGMXRW-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO CSCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245450843 407987351 /nfs/dbraw/zinc/98/73/51/407987351.db2.gz OZRLKRWEXGKIDH-ZYHUDNBSSA-N 1 1 302.400 1.226 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591205 407998230 /nfs/dbraw/zinc/99/82/30/407998230.db2.gz PMDGNDQFXFRXSX-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000272591205 407998238 /nfs/dbraw/zinc/99/82/38/407998238.db2.gz PMDGNDQFXFRXSX-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182325360 408125215 /nfs/dbraw/zinc/12/52/15/408125215.db2.gz VCZWPRXSMCASAO-WFASDCNBSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154753738 408078997 /nfs/dbraw/zinc/07/89/97/408078997.db2.gz FZDURLJKZVVNKR-UHFFFAOYSA-N 1 1 302.334 1.825 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189743327 408097513 /nfs/dbraw/zinc/09/75/13/408097513.db2.gz OFCIXADKQITKDJ-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000182242309 408103758 /nfs/dbraw/zinc/10/37/58/408103758.db2.gz MXDVAMIGJIGSGO-CYBMUJFWSA-N 1 1 324.377 1.571 20 5 DDBDMO CCN1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190222091 408194582 /nfs/dbraw/zinc/19/45/82/408194582.db2.gz INKBFDGUPAPIJF-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO CCN1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000190222091 408194587 /nfs/dbraw/zinc/19/45/87/408194587.db2.gz INKBFDGUPAPIJF-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000190419993 408239144 /nfs/dbraw/zinc/23/91/44/408239144.db2.gz DCRGXLTXMQCLSY-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000156159878 408239800 /nfs/dbraw/zinc/23/98/00/408239800.db2.gz ZYIARUVATJWEHK-UHFFFAOYSA-N 1 1 307.350 1.552 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000190364260 408229030 /nfs/dbraw/zinc/22/90/30/408229030.db2.gz NHKDPQYNPIALBG-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000190364260 408229036 /nfs/dbraw/zinc/22/90/36/408229036.db2.gz NHKDPQYNPIALBG-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO CSCC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000138214576 162129235 /nfs/dbraw/zinc/12/92/35/162129235.db2.gz SCYMSNAZCNQZPG-UHFFFAOYSA-N 1 1 309.391 1.779 20 5 DDBDMO CSCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000138214576 162129238 /nfs/dbraw/zinc/12/92/38/162129238.db2.gz SCYMSNAZCNQZPG-UHFFFAOYSA-N 1 1 309.391 1.779 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182455 408345806 /nfs/dbraw/zinc/34/58/06/408345806.db2.gz UVZJBTZZAIWLEJ-PWSUYJOCSA-N 1 1 318.333 1.848 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621938 408363583 /nfs/dbraw/zinc/36/35/83/408363583.db2.gz BJCXZGMPKCVCEE-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621938 408363589 /nfs/dbraw/zinc/36/35/89/408363589.db2.gz BJCXZGMPKCVCEE-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247511976 408484757 /nfs/dbraw/zinc/48/47/57/408484757.db2.gz VTHTYBKRYNZQCH-AAEUAGOBSA-N 1 1 323.397 1.431 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191897388 408505639 /nfs/dbraw/zinc/50/56/39/408505639.db2.gz DQFRQXHLKSDJBE-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(CO)CO ZINC000270366115 408505923 /nfs/dbraw/zinc/50/59/23/408505923.db2.gz ZJESQPWRPJOZEJ-UHFFFAOYSA-N 1 1 309.322 1.159 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(CO)CO ZINC000270366115 408505926 /nfs/dbraw/zinc/50/59/26/408505926.db2.gz ZJESQPWRPJOZEJ-UHFFFAOYSA-N 1 1 309.322 1.159 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000274868171 408562880 /nfs/dbraw/zinc/56/28/80/408562880.db2.gz DDMVXWIBVGHJIZ-UHFFFAOYSA-N 1 1 316.317 1.115 20 5 DDBDMO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248475571 408577333 /nfs/dbraw/zinc/57/73/33/408577333.db2.gz XUDAERMVVUVILN-JHJVBQTASA-N 1 1 310.350 1.444 20 5 DDBDMO CCOCC[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192568308 408611247 /nfs/dbraw/zinc/61/12/47/408611247.db2.gz WSIFITUHAVMSKK-UHFFFAOYSA-N 1 1 311.386 1.278 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690353 408633151 /nfs/dbraw/zinc/63/31/51/408633151.db2.gz CVCKGRKQBODRJU-QWRGUYRKSA-N 1 1 319.361 1.958 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CO)C1 ZINC000249332382 408716240 /nfs/dbraw/zinc/71/62/40/408716240.db2.gz XACGOWKGCQCUCE-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CO)C1 ZINC000249332382 408716244 /nfs/dbraw/zinc/71/62/44/408716244.db2.gz XACGOWKGCQCUCE-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1CO ZINC000248997300 408674661 /nfs/dbraw/zinc/67/46/61/408674661.db2.gz YCBSFIUNHOCDRG-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162187934 408676207 /nfs/dbraw/zinc/67/62/07/408676207.db2.gz ZXVLOKSGHZPPDO-LBPRGKRZSA-N 1 1 323.397 1.713 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000270839069 408701851 /nfs/dbraw/zinc/70/18/51/408701851.db2.gz DUBCZFTUOQZMBS-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(O)C1 ZINC000177973334 408748671 /nfs/dbraw/zinc/74/86/71/408748671.db2.gz PZHIEVNLIZETFC-OAHLLOKOSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000185144606 408769598 /nfs/dbraw/zinc/76/95/98/408769598.db2.gz VJKLRYLQCFULDH-SNVBAGLBSA-N 1 1 311.313 1.783 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000185144606 408769600 /nfs/dbraw/zinc/76/96/00/408769600.db2.gz VJKLRYLQCFULDH-SNVBAGLBSA-N 1 1 311.313 1.783 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000285924746 408890406 /nfs/dbraw/zinc/89/04/06/408890406.db2.gz UPXWZPNTQUWKED-UONOGXRCSA-N 1 1 323.324 1.279 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277343466 408922993 /nfs/dbraw/zinc/92/29/93/408922993.db2.gz BDMHSISYKDYSSX-ZDUSSCGKSA-N 1 1 321.377 1.826 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188786929 163068974 /nfs/dbraw/zinc/06/89/74/163068974.db2.gz KZBKVCKRRBGXIR-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188786929 163068978 /nfs/dbraw/zinc/06/89/78/163068978.db2.gz KZBKVCKRRBGXIR-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO COCC(C)(C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292099538 408980754 /nfs/dbraw/zinc/98/07/54/408980754.db2.gz HUFMFAYEKOQQBW-GFCCVEGCSA-N 1 1 312.366 1.691 20 5 DDBDMO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000277920423 409034882 /nfs/dbraw/zinc/03/48/82/409034882.db2.gz XYDKHAHFGNZYAC-OAHLLOKOSA-N 1 1 324.381 1.989 20 5 DDBDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000277920423 409034884 /nfs/dbraw/zinc/03/48/84/409034884.db2.gz XYDKHAHFGNZYAC-OAHLLOKOSA-N 1 1 324.381 1.989 20 5 DDBDMO Cc1nc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278949609 409119342 /nfs/dbraw/zinc/11/93/42/409119342.db2.gz XBCDDLNEALADFL-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO Cc1nc(N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278949609 409119344 /nfs/dbraw/zinc/11/93/44/409119344.db2.gz XBCDDLNEALADFL-UHFFFAOYSA-N 1 1 308.382 1.845 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289086764 409217067 /nfs/dbraw/zinc/21/70/67/409217067.db2.gz UBGJTELBDYJQKR-UHFFFAOYSA-N 1 1 316.317 1.665 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289086764 409217069 /nfs/dbraw/zinc/21/70/69/409217069.db2.gz UBGJTELBDYJQKR-UHFFFAOYSA-N 1 1 316.317 1.665 20 5 DDBDMO O=c1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289452640 409275507 /nfs/dbraw/zinc/27/55/07/409275507.db2.gz PFGXZJDBPWYVIA-NSHDSACASA-N 1 1 303.322 1.386 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000284201015 409295510 /nfs/dbraw/zinc/29/55/10/409295510.db2.gz ZOQJEOBCJYYYOO-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000290203697 409321032 /nfs/dbraw/zinc/32/10/32/409321032.db2.gz SUQAZPBAKBECCU-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN(C)CC[NH+](C)C ZINC000290203697 409321036 /nfs/dbraw/zinc/32/10/36/409321036.db2.gz SUQAZPBAKBECCU-UHFFFAOYSA-N 1 1 322.409 1.517 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1c[nH+]c(N(C)C)n1C ZINC000280661570 409397943 /nfs/dbraw/zinc/39/79/43/409397943.db2.gz GQSRZPWKRXXWRU-UHFFFAOYSA-N 1 1 307.358 1.531 20 5 DDBDMO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000230993719 287029685 /nfs/dbraw/zinc/02/96/85/287029685.db2.gz GLSKUFOMJKRVDO-SNVBAGLBSA-N 1 1 301.368 1.137 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317075300 164025532 /nfs/dbraw/zinc/02/55/32/164025532.db2.gz ZCOPUBFPRKJFTO-MNOVXSKESA-N 1 1 304.350 1.534 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000324549125 164051179 /nfs/dbraw/zinc/05/11/79/164051179.db2.gz YAEUHGAPYHMVND-QWRGUYRKSA-N 1 1 322.340 1.673 20 5 DDBDMO Cc1cn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000362330339 164155918 /nfs/dbraw/zinc/15/59/18/164155918.db2.gz PSJLOTRDHNHEIG-HNNXBMFYSA-N 1 1 316.361 1.519 20 5 DDBDMO C[C@@H]1CCOCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000373280174 164169243 /nfs/dbraw/zinc/16/92/43/164169243.db2.gz JMGOGFHUOUVIAQ-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408128957 164236408 /nfs/dbraw/zinc/23/64/08/164236408.db2.gz MLEWTVLSYRLYIP-GXSJLCMTSA-N 1 1 309.370 1.049 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000345075455 409616735 /nfs/dbraw/zinc/61/67/35/409616735.db2.gz ODSZVTPOHWWGEL-CQSZACIVSA-N 1 1 320.393 1.873 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000354074615 409630983 /nfs/dbraw/zinc/63/09/83/409630983.db2.gz IMSCUVGKAAJTHM-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000356867441 409678283 /nfs/dbraw/zinc/67/82/83/409678283.db2.gz YRBZYJRZROCSEU-GHMZBOCLSA-N 1 1 309.341 1.827 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000354379692 409811118 /nfs/dbraw/zinc/81/11/18/409811118.db2.gz CHBINFKHNOOXFL-VXGBXAGGSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617544 409971578 /nfs/dbraw/zinc/97/15/78/409971578.db2.gz UTUITKSJCWQDOB-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354617544 409971586 /nfs/dbraw/zinc/97/15/86/409971586.db2.gz UTUITKSJCWQDOB-NSHDSACASA-N 1 1 313.379 1.310 20 5 DDBDMO COc1ccc(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332321991 410065658 /nfs/dbraw/zinc/06/56/58/410065658.db2.gz RORRSKDNHWUOAB-ZBFHGGJFSA-N 1 1 321.377 1.508 20 5 DDBDMO COc1ccc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332321985 410066166 /nfs/dbraw/zinc/06/61/66/410066166.db2.gz RORRSKDNHWUOAB-GOEBONIOSA-N 1 1 321.377 1.508 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670372 410067663 /nfs/dbraw/zinc/06/76/63/410067663.db2.gz UOUSVWTYWOMCSV-HUBLWGQQSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670372 410067668 /nfs/dbraw/zinc/06/76/68/410067668.db2.gz UOUSVWTYWOMCSV-HUBLWGQQSA-N 1 1 319.361 1.689 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000343034849 410090350 /nfs/dbraw/zinc/09/03/50/410090350.db2.gz BHSHHDXRYNXIFA-LLVKDONJSA-N 1 1 307.350 1.300 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000343034849 410090355 /nfs/dbraw/zinc/09/03/55/410090355.db2.gz BHSHHDXRYNXIFA-LLVKDONJSA-N 1 1 307.350 1.300 20 5 DDBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782695 410459832 /nfs/dbraw/zinc/45/98/32/410459832.db2.gz HESNXNCXLGUGCK-CABCVRRESA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358407955 410462682 /nfs/dbraw/zinc/46/26/82/410462682.db2.gz GCOLWDDGDUCFRG-BMIGLBTASA-N 1 1 321.352 1.875 20 5 DDBDMO Cn1c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000347319733 410466982 /nfs/dbraw/zinc/46/69/82/410466982.db2.gz OKCOCRYHROZTGE-LBPRGKRZSA-N 1 1 306.366 1.680 20 5 DDBDMO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343414689 410431850 /nfs/dbraw/zinc/43/18/50/410431850.db2.gz BJRXUVVWMDTUDA-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343414689 410431856 /nfs/dbraw/zinc/43/18/56/410431856.db2.gz BJRXUVVWMDTUDA-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347358665 410493432 /nfs/dbraw/zinc/49/34/32/410493432.db2.gz LHFYVTZGTRSOBY-QZIOEJFTSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000347358665 410493434 /nfs/dbraw/zinc/49/34/34/410493434.db2.gz LHFYVTZGTRSOBY-QZIOEJFTSA-N 1 1 319.361 1.573 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000355610912 410605704 /nfs/dbraw/zinc/60/57/04/410605704.db2.gz UIAMGJMTEBSGNE-GFCCVEGCSA-N 1 1 324.333 1.103 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000355610912 410605709 /nfs/dbraw/zinc/60/57/09/410605709.db2.gz UIAMGJMTEBSGNE-GFCCVEGCSA-N 1 1 324.333 1.103 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301137276 410664555 /nfs/dbraw/zinc/66/45/55/410664555.db2.gz BUZYAUIQGGPDOA-UHFFFAOYSA-N 1 1 308.338 1.678 20 5 DDBDMO COc1cncc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000343775837 410689905 /nfs/dbraw/zinc/68/99/05/410689905.db2.gz WNYBVJYKZHIJFD-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1cncc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000343775837 410689908 /nfs/dbraw/zinc/68/99/08/410689908.db2.gz WNYBVJYKZHIJFD-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000330514258 410743056 /nfs/dbraw/zinc/74/30/56/410743056.db2.gz DLYDTRVTTYFQOA-SWHYSGLUSA-N 1 1 307.350 1.491 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000330514258 410743061 /nfs/dbraw/zinc/74/30/61/410743061.db2.gz DLYDTRVTTYFQOA-SWHYSGLUSA-N 1 1 307.350 1.491 20 5 DDBDMO Cc1ccnc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301250332 410684538 /nfs/dbraw/zinc/68/45/38/410684538.db2.gz BVLXVJYAUHBORM-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000330575849 410790340 /nfs/dbraw/zinc/79/03/40/410790340.db2.gz GEEHLZVIRMOIPO-QWHCGFSZSA-N 1 1 320.393 1.866 20 5 DDBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347928159 410795536 /nfs/dbraw/zinc/79/55/36/410795536.db2.gz UUJBQVVWBLMHSQ-LLVKDONJSA-N 1 1 322.340 1.625 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCC[C@@H](C)C1 ZINC000330586038 410801311 /nfs/dbraw/zinc/80/13/11/410801311.db2.gz SIRJJKNKNLOYKY-NEPJUHHUSA-N 1 1 308.382 1.784 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343851578 410748509 /nfs/dbraw/zinc/74/85/09/410748509.db2.gz DMPRQEQLFFAHNJ-JSGCOSHPSA-N 1 1 320.393 1.919 20 5 DDBDMO CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000356103784 410836649 /nfs/dbraw/zinc/83/66/49/410836649.db2.gz VKLUAJXMHOFYOI-CQSZACIVSA-N 1 1 305.334 1.467 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000302382406 410842976 /nfs/dbraw/zinc/84/29/76/410842976.db2.gz GVEVIJIIFGMIES-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000302382406 410842980 /nfs/dbraw/zinc/84/29/80/410842980.db2.gz GVEVIJIIFGMIES-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359766104 410862702 /nfs/dbraw/zinc/86/27/02/410862702.db2.gz SMOIAJAEBMRKGP-SNVBAGLBSA-N 1 1 310.354 1.546 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000302823497 410869879 /nfs/dbraw/zinc/86/98/79/410869879.db2.gz UYTOVVBFFMROMS-GFCCVEGCSA-N 1 1 309.341 1.892 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348517814 410996060 /nfs/dbraw/zinc/99/60/60/410996060.db2.gz YCAPDEDQGWVHGM-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348517814 410996066 /nfs/dbraw/zinc/99/60/66/410996066.db2.gz YCAPDEDQGWVHGM-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000348517814 410996070 /nfs/dbraw/zinc/99/60/70/410996070.db2.gz YCAPDEDQGWVHGM-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(O)C1 ZINC000353519815 411042328 /nfs/dbraw/zinc/04/23/28/411042328.db2.gz ODUSEZQRAXVRPC-UHFFFAOYSA-N 1 1 304.306 1.600 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(O)C1 ZINC000353519815 411042332 /nfs/dbraw/zinc/04/23/32/411042332.db2.gz ODUSEZQRAXVRPC-UHFFFAOYSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419338957 226123892 /nfs/dbraw/zinc/12/38/92/226123892.db2.gz ZPGZCUBKBBVYRX-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000373737044 418454511 /nfs/dbraw/zinc/45/45/11/418454511.db2.gz FMRWXBWBEOBUHG-CFVMTHIKSA-N 1 1 303.362 1.989 20 5 DDBDMO COc1ccc(NC(=O)c2cc(C[NH+](C)C)on2)cc1[N+](=O)[O-] ZINC000360735436 418503792 /nfs/dbraw/zinc/50/37/92/418503792.db2.gz DNFDHHGETVYFLH-UHFFFAOYSA-N 1 1 320.305 1.905 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290507292 418576718 /nfs/dbraw/zinc/57/67/18/418576718.db2.gz LGIHTFAFNWQDHY-SNVBAGLBSA-N 1 1 307.354 1.375 20 5 DDBDMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375392743 418633519 /nfs/dbraw/zinc/63/35/19/418633519.db2.gz OTHYUGKJENZTFT-CYBMUJFWSA-N 1 1 318.381 1.979 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000368238175 418708165 /nfs/dbraw/zinc/70/81/65/418708165.db2.gz BLLGAWVFIYEJSD-ZYHUDNBSSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000368238175 418708167 /nfs/dbraw/zinc/70/81/67/418708167.db2.gz BLLGAWVFIYEJSD-ZYHUDNBSSA-N 1 1 309.753 1.816 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000368067866 418684371 /nfs/dbraw/zinc/68/43/71/418684371.db2.gz BSONQEBLQMMIQP-GHMZBOCLSA-N 1 1 323.324 1.310 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000364468281 418777918 /nfs/dbraw/zinc/77/79/18/418777918.db2.gz ZOLKBZIFPFNPDL-KGLIPLIRSA-N 1 1 305.334 1.188 20 5 DDBDMO CCCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411170664 418875635 /nfs/dbraw/zinc/87/56/35/418875635.db2.gz CCEOLHJQAUJDKM-UHFFFAOYSA-N 1 1 322.365 1.511 20 5 DDBDMO O=C(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccccc1[N+](=O)[O-] ZINC000372626879 418888774 /nfs/dbraw/zinc/88/87/74/418888774.db2.gz KUTJNGDWAFGQQR-TXEJJXNPSA-N 1 1 305.334 1.787 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccccc1[N+](=O)[O-] ZINC000372626879 418888777 /nfs/dbraw/zinc/88/87/77/418888777.db2.gz KUTJNGDWAFGQQR-TXEJJXNPSA-N 1 1 305.334 1.787 20 5 DDBDMO C[C@H]1C[C@@H](CO)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000420930639 419361962 /nfs/dbraw/zinc/36/19/62/419361962.db2.gz CRRPVFNDTKNSIB-QWHCGFSZSA-N 1 1 321.377 1.874 20 5 DDBDMO CN(C(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000426226207 419411028 /nfs/dbraw/zinc/41/10/28/419411028.db2.gz GSXDLHZYGMWMIO-HUUCEWRRSA-N 1 1 321.377 1.793 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974224 419374826 /nfs/dbraw/zinc/37/48/26/419374826.db2.gz LGIUCRBQQWZHIJ-GHMZBOCLSA-N 1 1 310.350 1.815 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421041761 419464986 /nfs/dbraw/zinc/46/49/86/419464986.db2.gz YPJDGCDNRPXWOY-HIFRSBDPSA-N 1 1 308.334 1.199 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000412995633 419765542 /nfs/dbraw/zinc/76/55/42/419765542.db2.gz ZYKFKHWZSKVALH-LLVKDONJSA-N 1 1 322.365 1.118 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000427708104 419718615 /nfs/dbraw/zinc/71/86/15/419718615.db2.gz WBYBKPDREIAPCB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000427708104 419718620 /nfs/dbraw/zinc/71/86/20/419718620.db2.gz WBYBKPDREIAPCB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000428441565 419868464 /nfs/dbraw/zinc/86/84/64/419868464.db2.gz WQAASDVLUJKEDT-HNNXBMFYSA-N 1 1 310.350 1.959 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000433748450 420254210 /nfs/dbraw/zinc/25/42/10/420254210.db2.gz LCBQWOIFOLYZEF-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000433748450 420254214 /nfs/dbraw/zinc/25/42/14/420254214.db2.gz LCBQWOIFOLYZEF-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000433748450 420254221 /nfs/dbraw/zinc/25/42/21/420254221.db2.gz LCBQWOIFOLYZEF-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C[NH3+])C1CC1 ZINC000423949473 420280137 /nfs/dbraw/zinc/28/01/37/420280137.db2.gz MVHGOFHWGJPDBL-LBPRGKRZSA-N 1 1 303.322 1.280 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000425482001 420395629 /nfs/dbraw/zinc/39/56/29/420395629.db2.gz QOPBZUXPMDCMDY-AWEZNQCLSA-N 1 1 308.382 1.029 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456980611 420579885 /nfs/dbraw/zinc/57/98/85/420579885.db2.gz DDCGZWPXJZWXSV-ZDUSSCGKSA-N 1 1 300.318 1.710 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000454283926 420830296 /nfs/dbraw/zinc/83/02/96/420830296.db2.gz XOZCSZPYNTVNTI-OCCSQVGLSA-N 1 1 304.350 1.440 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493392994 420836356 /nfs/dbraw/zinc/83/63/56/420836356.db2.gz RGDQNIDBGATEGH-IRBQFCFKSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493392994 420836359 /nfs/dbraw/zinc/83/63/59/420836359.db2.gz RGDQNIDBGATEGH-IRBQFCFKSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000449576332 421030303 /nfs/dbraw/zinc/03/03/03/421030303.db2.gz RTGBMYCVDZHSQW-CYBMUJFWSA-N 1 1 314.292 1.090 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456019964 421089567 /nfs/dbraw/zinc/08/95/67/421089567.db2.gz IOKUWNFUAOTOEZ-BXKDBHETSA-N 1 1 319.365 1.244 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449786393 421082154 /nfs/dbraw/zinc/08/21/54/421082154.db2.gz NMYODXAENJIQKC-KXQLTZBTSA-N 1 1 305.378 1.606 20 5 DDBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC1 ZINC000490075668 421188165 /nfs/dbraw/zinc/18/81/65/421188165.db2.gz YSMONSYUAYDLQL-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC1 ZINC000490075668 421188166 /nfs/dbraw/zinc/18/81/66/421188166.db2.gz YSMONSYUAYDLQL-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000525727207 421298725 /nfs/dbraw/zinc/29/87/25/421298725.db2.gz LBNDHBZBLDHKDG-GFCCVEGCSA-N 1 1 308.382 1.737 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548414115 421435376 /nfs/dbraw/zinc/43/53/76/421435376.db2.gz PRXHXPGSJLVGKK-LLVKDONJSA-N 1 1 321.381 1.422 20 5 DDBDMO Cc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000552836444 421595520 /nfs/dbraw/zinc/59/55/20/421595520.db2.gz CCWSGBVJIBSSDX-CYBMUJFWSA-N 1 1 307.306 1.421 20 5 DDBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000567915531 421616693 /nfs/dbraw/zinc/61/66/93/421616693.db2.gz VSWGQARBZQNDHE-UHFFFAOYSA-N 1 1 312.370 1.767 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000572185641 421767983 /nfs/dbraw/zinc/76/79/83/421767983.db2.gz VEGHCHGOZMSKAC-NSHDSACASA-N 1 1 304.354 1.780 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000557572542 421777179 /nfs/dbraw/zinc/77/71/79/421777179.db2.gz WHMFRNVJGNVYKA-LLVKDONJSA-N 1 1 322.365 1.839 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000572425039 421786631 /nfs/dbraw/zinc/78/66/31/421786631.db2.gz GLWAAVQQFGRMAY-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO COc1ccc(CC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000559320868 421832814 /nfs/dbraw/zinc/83/28/14/421832814.db2.gz PEQZPSRRGIIQBX-TXEJJXNPSA-N 1 1 321.377 1.697 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000345913761 272363307 /nfs/dbraw/zinc/36/33/07/272363307.db2.gz WANITMJPBZLHSB-GHMZBOCLSA-N 1 1 309.370 1.041 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)n1 ZINC000287347657 274004239 /nfs/dbraw/zinc/00/42/39/274004239.db2.gz NGAPUKYWENYSIT-UHFFFAOYSA-N 1 1 320.349 1.451 20 5 DDBDMO COC(=O)c1cnc(N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000189390498 274008160 /nfs/dbraw/zinc/00/81/60/274008160.db2.gz BCLLVCJTQWEIPT-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000273948037 276031700 /nfs/dbraw/zinc/03/17/00/276031700.db2.gz MKHZVNSZCZMZOZ-GFCCVEGCSA-N 1 1 309.370 1.322 20 5 DDBDMO C[NH2+]Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000414641831 277288227 /nfs/dbraw/zinc/28/82/27/277288227.db2.gz KFSPWAAVGQBGTD-UHFFFAOYSA-N 1 1 319.321 1.201 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(F)(F)C[NH3+] ZINC000414939617 279247541 /nfs/dbraw/zinc/24/75/41/279247541.db2.gz ZCSWEDVFXVTHMF-SECBINFHSA-N 1 1 316.308 1.496 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCN(C)CC1 ZINC000449122701 279382788 /nfs/dbraw/zinc/38/27/88/279382788.db2.gz MKUYDOOLXQNXFS-HUUCEWRRSA-N 1 1 320.437 1.751 20 5 DDBDMO CC[N@@H+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000102006553 281047073 /nfs/dbraw/zinc/04/70/73/281047073.db2.gz AGUCQQWPUDWSCC-UHFFFAOYSA-N 1 1 306.366 1.878 20 5 DDBDMO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000363305887 300248592 /nfs/dbraw/zinc/24/85/92/300248592.db2.gz UNPPXEBNRRDBIT-JKSUJKDBSA-N 1 1 317.389 1.475 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000364350384 300382141 /nfs/dbraw/zinc/38/21/41/300382141.db2.gz XTEZEFSDJIXDSR-HUUCEWRRSA-N 1 1 321.381 1.267 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000368596675 301061486 /nfs/dbraw/zinc/06/14/86/301061486.db2.gz VVHQXTMTTFQXKN-SWLSCSKDSA-N 1 1 303.362 1.690 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cccc1[N+](=O)[O-] ZINC000368804837 301090128 /nfs/dbraw/zinc/09/01/28/301090128.db2.gz JBOBJSACXYEBFU-CQSZACIVSA-N 1 1 318.377 1.893 20 5 DDBDMO CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000368818426 301092497 /nfs/dbraw/zinc/09/24/97/301092497.db2.gz UIKMNBHQDOIQGO-GJZGRUSLSA-N 1 1 318.377 1.170 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000408028736 301204619 /nfs/dbraw/zinc/20/46/19/301204619.db2.gz FMMSCEYJTUAKGG-STQMWFEESA-N 1 1 306.366 1.516 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377495282 302185673 /nfs/dbraw/zinc/18/56/73/302185673.db2.gz XOEWUGZNLFBFSR-NSHDSACASA-N 1 1 320.349 1.121 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OCCO2 ZINC000530865543 303217821 /nfs/dbraw/zinc/21/78/21/303217821.db2.gz QHDYNFWKSKGVAX-UHFFFAOYSA-N 1 1 318.333 1.695 20 5 DDBDMO COC(C)(C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000533344610 303316186 /nfs/dbraw/zinc/31/61/86/303316186.db2.gz BLTCGFYPASEZFV-UHFFFAOYSA-N 1 1 309.366 1.914 20 5 DDBDMO COC(C)(C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000533344610 303316188 /nfs/dbraw/zinc/31/61/88/303316188.db2.gz BLTCGFYPASEZFV-UHFFFAOYSA-N 1 1 309.366 1.914 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C[N@@H+]1C ZINC000534349515 303332851 /nfs/dbraw/zinc/33/28/51/303332851.db2.gz SMQHUBFECGTETN-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C[N@H+]1C ZINC000534349515 303332853 /nfs/dbraw/zinc/33/28/53/303332853.db2.gz SMQHUBFECGTETN-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000366687347 307079691 /nfs/dbraw/zinc/07/96/91/307079691.db2.gz MXNLFEOLZDSWJE-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000369683106 307126705 /nfs/dbraw/zinc/12/67/05/307126705.db2.gz IXKOHSMTTVHZFX-INIZCTEOSA-N 1 1 322.361 1.959 20 5 DDBDMO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1CCO ZINC000576579709 308324417 /nfs/dbraw/zinc/32/44/17/308324417.db2.gz JYCLYESVUJGCPL-GFCCVEGCSA-N 1 1 320.393 1.371 20 5 DDBDMO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+]1CCO ZINC000576579709 308324418 /nfs/dbraw/zinc/32/44/18/308324418.db2.gz JYCLYESVUJGCPL-GFCCVEGCSA-N 1 1 320.393 1.371 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000576762992 308338163 /nfs/dbraw/zinc/33/81/63/308338163.db2.gz KBQAZJFDCIZIRV-SNVBAGLBSA-N 1 1 307.354 1.025 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 ZINC000577371156 308382894 /nfs/dbraw/zinc/38/28/94/308382894.db2.gz QCUXFOWPIWFNHI-SNVBAGLBSA-N 1 1 304.306 1.363 20 5 DDBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349075 533859263 /nfs/dbraw/zinc/85/92/63/533859263.db2.gz SYPVCIUBNNRCJE-YRGRVCCFSA-N 1 1 309.366 1.238 20 5 DDBDMO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000305770324 534055764 /nfs/dbraw/zinc/05/57/64/534055764.db2.gz XINRGLZAGHATTP-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000305770324 534055769 /nfs/dbraw/zinc/05/57/69/534055769.db2.gz XINRGLZAGHATTP-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO CC[N@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158221122 521612607 /nfs/dbraw/zinc/61/26/07/521612607.db2.gz PAHOJLFBLMVWQB-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO CCN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158221122 521612610 /nfs/dbraw/zinc/61/26/10/521612610.db2.gz PAHOJLFBLMVWQB-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO CCN1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158221122 521612611 /nfs/dbraw/zinc/61/26/11/521612611.db2.gz PAHOJLFBLMVWQB-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154812936 525086591 /nfs/dbraw/zinc/08/65/91/525086591.db2.gz WJTZSBJHICPBPC-BXUZGUMPSA-N 1 1 321.352 1.972 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452183359 527726841 /nfs/dbraw/zinc/72/68/41/527726841.db2.gz OWPYOEKBDNRZOK-SMDDNHRTSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452183359 527726848 /nfs/dbraw/zinc/72/68/48/527726848.db2.gz OWPYOEKBDNRZOK-SMDDNHRTSA-N 1 1 307.350 1.493 20 5 DDBDMO CC(C)[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293086721 527732577 /nfs/dbraw/zinc/73/25/77/527732577.db2.gz KCUWDZMBSDALJX-OAHLLOKOSA-N 1 1 321.377 1.370 20 5 DDBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+](C)C1CC1 ZINC000736027085 598500844 /nfs/dbraw/zinc/50/08/44/598500844.db2.gz XABOFAGOOXGYJF-QMMMGPOBSA-N 1 1 318.341 1.065 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000746882330 700043333 /nfs/dbraw/zinc/04/33/33/700043333.db2.gz LQOUHRLHVGCPGK-JTQLQIEISA-N 1 1 323.324 1.466 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160425891 697317436 /nfs/dbraw/zinc/31/74/36/697317436.db2.gz HEEPGAQGWSHIOA-UHFFFAOYSA-N 1 1 315.757 1.556 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000178776629 697428765 /nfs/dbraw/zinc/42/87/65/697428765.db2.gz ZGKDOSZCIDNMLF-GFCCVEGCSA-N 1 1 318.333 1.930 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000178776629 697428766 /nfs/dbraw/zinc/42/87/66/697428766.db2.gz ZGKDOSZCIDNMLF-GFCCVEGCSA-N 1 1 318.333 1.930 20 5 DDBDMO Cc1oncc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425783 697508518 /nfs/dbraw/zinc/50/85/18/697508518.db2.gz IYACQRDCGGKAEV-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1oncc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425783 697508520 /nfs/dbraw/zinc/50/85/20/697508520.db2.gz IYACQRDCGGKAEV-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1oncc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425783 697508521 /nfs/dbraw/zinc/50/85/21/697508521.db2.gz IYACQRDCGGKAEV-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1nn(C[NH+]2CCC3(CCO3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000799956853 700177761 /nfs/dbraw/zinc/17/77/61/700177761.db2.gz WOXWRSALWXWZST-UHFFFAOYSA-N 1 1 317.349 1.860 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000776280131 698092029 /nfs/dbraw/zinc/09/20/29/698092029.db2.gz ZXUZBOALSUPMFS-CYBMUJFWSA-N 1 1 317.349 1.346 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000776582593 698121650 /nfs/dbraw/zinc/12/16/50/698121650.db2.gz VSHLTWYEIJEWJW-HUUCEWRRSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC000776582593 698121652 /nfs/dbraw/zinc/12/16/52/698121652.db2.gz VSHLTWYEIJEWJW-HUUCEWRRSA-N 1 1 322.361 1.856 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000777936546 698232587 /nfs/dbraw/zinc/23/25/87/698232587.db2.gz RTMOHXXAUGNNJW-UHFFFAOYSA-N 1 1 302.334 1.791 20 5 DDBDMO C[N@@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000249703271 698396539 /nfs/dbraw/zinc/39/65/39/698396539.db2.gz JYMVKUPQXKHQFU-CQSZACIVSA-N 1 1 301.350 1.738 20 5 DDBDMO C[N@H+]1CCN(Cn2nccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000249703271 698396544 /nfs/dbraw/zinc/39/65/44/698396544.db2.gz JYMVKUPQXKHQFU-CQSZACIVSA-N 1 1 301.350 1.738 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)C2CCOCC2)cc1 ZINC000781983007 698669379 /nfs/dbraw/zinc/66/93/79/698669379.db2.gz QJDLONHGJXORFS-OAHLLOKOSA-N 1 1 310.350 1.102 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000800846287 700248035 /nfs/dbraw/zinc/24/80/35/700248035.db2.gz IJYOIZNFDKYDRM-CYBMUJFWSA-N 1 1 306.366 1.478 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782613681 698750587 /nfs/dbraw/zinc/75/05/87/698750587.db2.gz BLBOUXBJQLIGNH-WBMJQRKESA-N 1 1 319.361 1.546 20 5 DDBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000714243764 699269857 /nfs/dbraw/zinc/26/98/57/699269857.db2.gz JHICYLMKKQPTFW-HOMQSWHASA-N 1 1 318.782 1.913 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H](C2OCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000719037034 699297761 /nfs/dbraw/zinc/29/77/61/699297761.db2.gz WQTPSDRRLPUGEL-LLVKDONJSA-N 1 1 321.333 1.228 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H](C2OCCO2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000719037034 699297763 /nfs/dbraw/zinc/29/77/63/699297763.db2.gz WQTPSDRRLPUGEL-LLVKDONJSA-N 1 1 321.333 1.228 20 5 DDBDMO Cc1cc(C(=O)OCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000735894430 699709055 /nfs/dbraw/zinc/70/90/55/699709055.db2.gz RNYIBBCCTHTLQT-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000742239460 699868863 /nfs/dbraw/zinc/86/88/63/699868863.db2.gz NDZVPLKILFQDNT-JTQLQIEISA-N 1 1 317.349 1.685 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000742241718 699869395 /nfs/dbraw/zinc/86/93/95/699869395.db2.gz RIGUFKQWKAXFBW-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801939524 700358072 /nfs/dbraw/zinc/35/80/72/700358072.db2.gz FNPHLGVIWLEHOA-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801939524 700358073 /nfs/dbraw/zinc/35/80/73/700358073.db2.gz FNPHLGVIWLEHOA-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO O=C(CC[NH+]1CCOCC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000759789973 700772883 /nfs/dbraw/zinc/77/28/83/700772883.db2.gz NOPQZQACEDAGLL-UHFFFAOYSA-N 1 1 319.321 1.132 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845774 701140583 /nfs/dbraw/zinc/14/05/83/701140583.db2.gz YKKIIYRLIWBMAT-MZJFNTNISA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767845774 701140585 /nfs/dbraw/zinc/14/05/85/701140585.db2.gz YKKIIYRLIWBMAT-MZJFNTNISA-N 1 1 300.380 1.327 20 5 DDBDMO CN1CC[NH+](CCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804331641 701178986 /nfs/dbraw/zinc/17/89/86/701178986.db2.gz RFCLFRLRBRACHN-UHFFFAOYSA-N 1 1 323.353 1.552 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839604316 701750832 /nfs/dbraw/zinc/75/08/32/701750832.db2.gz CEVOVUOLUANJJF-MRVWCRGKSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839604316 701750835 /nfs/dbraw/zinc/75/08/35/701750835.db2.gz CEVOVUOLUANJJF-MRVWCRGKSA-N 1 1 323.418 1.742 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839604316 701750840 /nfs/dbraw/zinc/75/08/40/701750840.db2.gz CEVOVUOLUANJJF-MRVWCRGKSA-N 1 1 323.418 1.742 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839719797 701796477 /nfs/dbraw/zinc/79/64/77/701796477.db2.gz AUPCEZWOSJWTOI-SLBVQIDZSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000839719797 701796480 /nfs/dbraw/zinc/79/64/80/701796480.db2.gz AUPCEZWOSJWTOI-SLBVQIDZSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000839719797 701796486 /nfs/dbraw/zinc/79/64/86/701796486.db2.gz AUPCEZWOSJWTOI-SLBVQIDZSA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000839782339 701825287 /nfs/dbraw/zinc/82/52/87/701825287.db2.gz GIGPMJYQVFILFD-HUUCEWRRSA-N 1 1 317.389 1.823 20 5 DDBDMO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839782339 701825291 /nfs/dbraw/zinc/82/52/91/701825291.db2.gz GIGPMJYQVFILFD-HUUCEWRRSA-N 1 1 317.389 1.823 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839782339 701825295 /nfs/dbraw/zinc/82/52/95/701825295.db2.gz GIGPMJYQVFILFD-HUUCEWRRSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000867949633 701849092 /nfs/dbraw/zinc/84/90/92/701849092.db2.gz FGTPOUYGZBHEJE-NHYWBVRUSA-N 1 1 307.350 1.406 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000867984095 701873865 /nfs/dbraw/zinc/87/38/65/701873865.db2.gz MXSZJVMIYOBKFJ-OFQRWUPVSA-N 1 1 319.361 1.549 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@H]2COC[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867985415 701874324 /nfs/dbraw/zinc/87/43/24/701874324.db2.gz CPQVMESUOFVANX-APHBMKBZSA-N 1 1 319.361 1.264 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879245411 706627341 /nfs/dbraw/zinc/62/73/41/706627341.db2.gz XLWALMHTLCZDBB-JKSUJKDBSA-N 1 1 316.361 1.989 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816648795 702135462 /nfs/dbraw/zinc/13/54/62/702135462.db2.gz PKBBDSZNQRQBQE-GHMZBOCLSA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000816648795 702135465 /nfs/dbraw/zinc/13/54/65/702135465.db2.gz PKBBDSZNQRQBQE-GHMZBOCLSA-N 1 1 308.334 1.987 20 5 DDBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000843144378 702828323 /nfs/dbraw/zinc/82/83/23/702828323.db2.gz XAYVYVVVPHYVAE-UHFFFAOYSA-N 1 1 306.278 1.526 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844435308 703031188 /nfs/dbraw/zinc/03/11/88/703031188.db2.gz BWQDBZZCPDJUCQ-VXGBXAGGSA-N 1 1 316.308 1.273 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879561540 706718145 /nfs/dbraw/zinc/71/81/45/706718145.db2.gz QFXBGHGIWHEHGK-CHWSQXEVSA-N 1 1 321.402 1.879 20 5 DDBDMO CC(C)[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000879601134 706734065 /nfs/dbraw/zinc/73/40/65/706734065.db2.gz JXZNRKNEBDPHJX-CVEARBPZSA-N 1 1 307.394 1.900 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000818615101 703942996 /nfs/dbraw/zinc/94/29/96/703942996.db2.gz ADKFPQXGIQJRFC-PHIMTYICSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000818615101 703943000 /nfs/dbraw/zinc/94/30/00/703943000.db2.gz ADKFPQXGIQJRFC-PHIMTYICSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819176517 704081588 /nfs/dbraw/zinc/08/15/88/704081588.db2.gz FCIVOQBBWVMQDM-MEBBXXQBSA-N 1 1 304.350 1.881 20 5 DDBDMO COC[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870886299 704157986 /nfs/dbraw/zinc/15/79/86/704157986.db2.gz CRFDFFPHGWWVQO-BLLLJJGKSA-N 1 1 321.377 1.654 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(C)c1[N+](=O)[O-] ZINC000853595343 704280487 /nfs/dbraw/zinc/28/04/87/704280487.db2.gz ZPOBQHYDZPPQHQ-ZDUSSCGKSA-N 1 1 321.381 1.310 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c(C)c1[N+](=O)[O-] ZINC000853595343 704280489 /nfs/dbraw/zinc/28/04/89/704280489.db2.gz ZPOBQHYDZPPQHQ-ZDUSSCGKSA-N 1 1 321.381 1.310 20 5 DDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000854495678 704407909 /nfs/dbraw/zinc/40/79/09/704407909.db2.gz QLSCNQAGUQAVJM-JTQLQIEISA-N 1 1 315.333 1.883 20 5 DDBDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000858035950 704660455 /nfs/dbraw/zinc/66/04/55/704660455.db2.gz MPTUIGCQDTTXOF-CYBMUJFWSA-N 1 1 317.349 1.648 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858580452 704729944 /nfs/dbraw/zinc/72/99/44/704729944.db2.gz OWTGEUWCVHQBCD-ZJUUUORDSA-N 1 1 311.338 1.662 20 5 DDBDMO O=C(CC[N@@H+]1CC=C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000880488785 706992043 /nfs/dbraw/zinc/99/20/43/706992043.db2.gz MAXCSNSEVZQFHI-LLVKDONJSA-N 1 1 309.297 1.295 20 5 DDBDMO CC[C@@H]([NH3+])c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116715 705144159 /nfs/dbraw/zinc/14/41/59/705144159.db2.gz YZVWWVDHCMASFX-LLVKDONJSA-N 1 1 319.321 1.247 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874842457 705197799 /nfs/dbraw/zinc/19/77/99/705197799.db2.gz HSLDRILZNQFZLX-QWHCGFSZSA-N 1 1 321.381 1.185 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339616 705432843 /nfs/dbraw/zinc/43/28/43/705432843.db2.gz CDWSWBMNCLSUOB-XHDPSFHLSA-N 1 1 308.334 1.861 20 5 DDBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343130 705434643 /nfs/dbraw/zinc/43/46/43/705434643.db2.gz YYEATNIWWZEMQO-IAQYHMDHSA-N 1 1 323.349 1.443 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@]1(CO)CCOC1 ZINC000862427151 705715952 /nfs/dbraw/zinc/71/59/52/705715952.db2.gz UZLWNAXXOJFZCX-CYBMUJFWSA-N 1 1 300.742 1.831 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826646703 705833250 /nfs/dbraw/zinc/83/32/50/705833250.db2.gz DRMGDQRVUIVVHS-WFASDCNBSA-N 1 1 321.377 1.428 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CC[C@@H]2OCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000876936149 705930143 /nfs/dbraw/zinc/93/01/43/705930143.db2.gz IMUKAOLHRGDNPV-WPGHFRTFSA-N 1 1 319.361 1.406 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827137221 705938066 /nfs/dbraw/zinc/93/80/66/705938066.db2.gz VHAHOYQPYMMQOU-QLFBSQMISA-N 1 1 303.362 1.909 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@@H]21 ZINC000827269713 705964832 /nfs/dbraw/zinc/96/48/32/705964832.db2.gz ZCDXABHKJXFDJJ-RNCFNFMXSA-N 1 1 322.340 1.482 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827373160 705988195 /nfs/dbraw/zinc/98/81/95/705988195.db2.gz GWWIERAYORVNBO-UKRRQHHQSA-N 1 1 303.362 1.690 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827375173 705989278 /nfs/dbraw/zinc/98/92/78/705989278.db2.gz TYKVNXYNKGPWBD-CHWSQXEVSA-N 1 1 319.361 1.770 20 5 DDBDMO Cn1cc(Cl)c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000877565069 706144394 /nfs/dbraw/zinc/14/43/94/706144394.db2.gz RYWKEBMFLUFYRM-UHFFFAOYSA-N 1 1 310.745 1.672 20 5 DDBDMO C[NH+]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877943135 706247723 /nfs/dbraw/zinc/24/77/23/706247723.db2.gz ZAHSBZAYRDPBRW-UHFFFAOYSA-N 1 1 303.322 1.392 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829621911 706368368 /nfs/dbraw/zinc/36/83/68/706368368.db2.gz CMPVOPIENZZLQQ-LBPRGKRZSA-N 1 1 315.414 1.126 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000830112627 706456739 /nfs/dbraw/zinc/45/67/39/706456739.db2.gz UIILPSNCEFOTFC-MFKMUULPSA-N 1 1 309.341 1.875 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880438421 706976436 /nfs/dbraw/zinc/97/64/36/706976436.db2.gz HGMFVOBCJAVOBZ-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266962 707356166 /nfs/dbraw/zinc/35/61/66/707356166.db2.gz IUNSXZFYRPVYQN-LSDHHAIUSA-N 1 1 321.377 1.571 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000872785591 707601327 /nfs/dbraw/zinc/60/13/27/707601327.db2.gz FKGMBANDEOVGJW-TXEJJXNPSA-N 1 1 302.334 1.789 20 5 DDBDMO CCc1ccc([C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839461511 708049159 /nfs/dbraw/zinc/04/91/59/708049159.db2.gz ANFDRSZNOGURLM-RBSFLKMASA-N 1 1 305.378 1.633 20 5 DDBDMO Cn1nnc2c1C[C@H](Nc1cc[nH+]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000896675051 708115477 /nfs/dbraw/zinc/11/54/77/708115477.db2.gz SYJYIQBVUZOGBD-SNVBAGLBSA-N 1 1 324.344 1.663 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3C[C@]34CCOC4)C2)nc1 ZINC000886067101 708691482 /nfs/dbraw/zinc/69/14/82/708691482.db2.gz HFLYJRLAWYNQBR-ZENOOKHLSA-N 1 1 318.377 1.903 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000886084241 708695281 /nfs/dbraw/zinc/69/52/81/708695281.db2.gz SZYGCJDRSKFNKL-LBPRGKRZSA-N 1 1 302.338 1.494 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593160 708785313 /nfs/dbraw/zinc/78/53/13/708785313.db2.gz JQEBWJCOABWWHQ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593160 708785314 /nfs/dbraw/zinc/78/53/14/708785314.db2.gz JQEBWJCOABWWHQ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593160 708785316 /nfs/dbraw/zinc/78/53/16/708785316.db2.gz JQEBWJCOABWWHQ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593160 708785317 /nfs/dbraw/zinc/78/53/17/708785317.db2.gz JQEBWJCOABWWHQ-LLVKDONJSA-N 1 1 323.397 1.683 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103547 713131932 /nfs/dbraw/zinc/13/19/32/713131932.db2.gz RGHPDJVSVAXOQP-KGLIPLIRSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928103547 713131933 /nfs/dbraw/zinc/13/19/33/713131933.db2.gz RGHPDJVSVAXOQP-KGLIPLIRSA-N 1 1 321.402 1.904 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928431521 713192687 /nfs/dbraw/zinc/19/26/87/713192687.db2.gz FBEXYQXVJIIWOX-RISCZKNCSA-N 1 1 319.361 1.767 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000893374736 710622338 /nfs/dbraw/zinc/62/23/38/710622338.db2.gz QSMXOVZJRRTJGU-NSHDSACASA-N 1 1 324.381 1.280 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928456453 713204872 /nfs/dbraw/zinc/20/48/72/713204872.db2.gz RPLYOWIDVQDINW-GWCFXTLKSA-N 1 1 318.377 1.992 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000893872091 710867476 /nfs/dbraw/zinc/86/74/76/710867476.db2.gz OTEFATSXMQYBFE-LBPRGKRZSA-N 1 1 306.366 1.485 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000894973831 711346516 /nfs/dbraw/zinc/34/65/16/711346516.db2.gz BECKRDUSKGUBBT-WDEREUQCSA-N 1 1 310.350 1.759 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246835 711464612 /nfs/dbraw/zinc/46/46/12/711464612.db2.gz QNLVKDDNNJISRN-YGRLFVJLSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+](C)CCN1C ZINC000895246835 711464613 /nfs/dbraw/zinc/46/46/13/711464613.db2.gz QNLVKDDNNJISRN-YGRLFVJLSA-N 1 1 318.381 1.517 20 5 DDBDMO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246835 711464616 /nfs/dbraw/zinc/46/46/16/711464616.db2.gz QNLVKDDNNJISRN-YGRLFVJLSA-N 1 1 318.381 1.517 20 5 DDBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000895772269 711602552 /nfs/dbraw/zinc/60/25/52/711602552.db2.gz ZSUHNHSOGRWFFC-ZDUSSCGKSA-N 1 1 318.377 1.947 20 5 DDBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905029569 711913135 /nfs/dbraw/zinc/91/31/35/711913135.db2.gz YNJOHAYZJNQRGP-UHFFFAOYSA-N 1 1 315.395 1.083 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000914290942 713371614 /nfs/dbraw/zinc/37/16/14/713371614.db2.gz FIQKQXVWVFYDJR-ZWNOBZJWSA-N 1 1 322.365 1.495 20 5 DDBDMO C[N@@H+]1CCC[C@H]1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000917227398 713488017 /nfs/dbraw/zinc/48/80/17/713488017.db2.gz CCCCUZGFMDLPNW-VIFPVBQESA-N 1 1 316.155 1.613 20 5 DDBDMO C[N@H+]1CCC[C@H]1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000917227398 713488019 /nfs/dbraw/zinc/48/80/19/713488019.db2.gz CCCCUZGFMDLPNW-VIFPVBQESA-N 1 1 316.155 1.613 20 5 DDBDMO CC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929110708 713548605 /nfs/dbraw/zinc/54/86/05/713548605.db2.gz FUTJHLCMZUGKHH-CABCVRRESA-N 1 1 303.362 1.862 20 5 DDBDMO Cc1nnc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000929268622 713579446 /nfs/dbraw/zinc/57/94/46/713579446.db2.gz GFZYDDCGQVBSLR-UHFFFAOYSA-N 1 1 317.349 1.651 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000929407749 713604701 /nfs/dbraw/zinc/60/47/01/713604701.db2.gz HCTQLHOSXZKNOF-OAHLLOKOSA-N 1 1 320.393 1.996 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000932004568 714231241 /nfs/dbraw/zinc/23/12/41/714231241.db2.gz ZGPRZMRHWXEXNJ-GXTWGEPZSA-N 1 1 308.334 1.323 20 5 DDBDMO Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(N)c([N+](=O)[O-])c1 ZINC000923279122 714295308 /nfs/dbraw/zinc/29/53/08/714295308.db2.gz FOHFECAQWBNCKI-NWDGAFQWSA-N 1 1 318.377 1.794 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933079257 714513389 /nfs/dbraw/zinc/51/33/89/714513389.db2.gz KTQLPTDYNHVNGW-AWEZNQCLSA-N 1 1 308.382 1.930 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933675768 714645943 /nfs/dbraw/zinc/64/59/43/714645943.db2.gz OFIKESHARHOTQV-UONOGXRCSA-N 1 1 324.381 1.227 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933675768 714645945 /nfs/dbraw/zinc/64/59/45/714645945.db2.gz OFIKESHARHOTQV-UONOGXRCSA-N 1 1 324.381 1.227 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117984 714746068 /nfs/dbraw/zinc/74/60/68/714746068.db2.gz QWTYMKBEIMBFFC-SGMGOOAPSA-N 1 1 310.350 1.444 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693905 715118524 /nfs/dbraw/zinc/11/85/24/715118524.db2.gz DRRDRDRBMWDWKK-XRGAULLZSA-N 1 1 315.373 1.718 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936023338 715144678 /nfs/dbraw/zinc/14/46/78/715144678.db2.gz PAQWOFXLXGNHNQ-NSHDSACASA-N 1 1 311.386 1.336 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001164667045 719385397 /nfs/dbraw/zinc/38/53/97/719385397.db2.gz MNXYLSYULDGMCU-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923255 721849098 /nfs/dbraw/zinc/84/90/98/721849098.db2.gz UPJXCWCOVAEYTF-CABCVRRESA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1[N+](=O)[O-] ZINC001164923255 721849099 /nfs/dbraw/zinc/84/90/99/721849099.db2.gz UPJXCWCOVAEYTF-CABCVRRESA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610283863 721901676 /nfs/dbraw/zinc/90/16/76/721901676.db2.gz IZJHEKKIVBLHIC-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2CO)o1 ZINC001167347329 733251271 /nfs/dbraw/zinc/25/12/71/733251271.db2.gz KNWFEXCCEWKMJB-JTQLQIEISA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2CO)o1 ZINC001167347329 733251275 /nfs/dbraw/zinc/25/12/75/733251275.db2.gz KNWFEXCCEWKMJB-JTQLQIEISA-N 1 1 304.306 1.602 20 5 DDBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]n1 ZINC001125541845 734446463 /nfs/dbraw/zinc/44/64/63/734446463.db2.gz FVOLMTMKNJXQIK-UHFFFAOYSA-N 1 1 323.378 1.136 20 5 DDBDMO Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775633 736853157 /nfs/dbraw/zinc/85/31/57/736853157.db2.gz KSHPRJWBPFTZJI-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775633 736853160 /nfs/dbraw/zinc/85/31/60/736853160.db2.gz KSHPRJWBPFTZJI-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775633 736853162 /nfs/dbraw/zinc/85/31/62/736853162.db2.gz KSHPRJWBPFTZJI-LJIZCISZSA-N 1 1 315.373 1.207 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029304649 740549969 /nfs/dbraw/zinc/54/99/69/740549969.db2.gz DWNMICCUJVDKDM-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001029304649 740549973 /nfs/dbraw/zinc/54/99/73/740549973.db2.gz DWNMICCUJVDKDM-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001029304649 740549977 /nfs/dbraw/zinc/54/99/77/740549977.db2.gz DWNMICCUJVDKDM-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(Cl)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932430 742778416 /nfs/dbraw/zinc/77/84/16/742778416.db2.gz XNWKUWUPQCGHFL-BXKDBHETSA-N 1 1 315.732 1.350 20 5 DDBDMO Cc1cccc(CCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936835 742839261 /nfs/dbraw/zinc/83/92/61/742839261.db2.gz TZQDGMZZWDIWSD-HUUCEWRRSA-N 1 1 305.378 1.299 20 5 DDBDMO CCOCC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001194747049 746444658 /nfs/dbraw/zinc/44/46/58/746444658.db2.gz PVUHXSXKHRVILW-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO CCOCC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001194747049 746444662 /nfs/dbraw/zinc/44/46/62/746444662.db2.gz PVUHXSXKHRVILW-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO Nc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC001196527862 746887410 /nfs/dbraw/zinc/88/74/10/746887410.db2.gz YBHBQDHLSPDBAM-NSHDSACASA-N 1 1 303.322 1.940 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2[C@H](C)CC[C@@H]2CO)c1 ZINC001197335400 747140956 /nfs/dbraw/zinc/14/09/56/747140956.db2.gz NILAMROTXTUOEP-ZWNOBZJWSA-N 1 1 308.334 1.727 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107321595 749798798 /nfs/dbraw/zinc/79/87/98/749798798.db2.gz HERIVARRWGQZNC-PLNGDYQASA-N 1 1 321.381 1.416 20 5 DDBDMO O=C(CCc1cnc[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128986401 750687869 /nfs/dbraw/zinc/68/78/69/750687869.db2.gz VIBBGSNOKXNDAS-UHFFFAOYSA-N 1 1 317.349 1.157 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001048812295 769930163 /nfs/dbraw/zinc/93/01/63/769930163.db2.gz FKRGWHLIEFJSHP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001048812295 769930173 /nfs/dbraw/zinc/93/01/73/769930173.db2.gz FKRGWHLIEFJSHP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001048812295 769930181 /nfs/dbraw/zinc/93/01/81/769930181.db2.gz FKRGWHLIEFJSHP-QKPAOTATSA-N 1 1 321.421 1.622 20 5 DDBDMO O=C1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCN1 ZINC001172908781 776917920 /nfs/dbraw/zinc/91/79/20/776917920.db2.gz ODVSUGWTODDAJM-CQSZACIVSA-N 1 1 303.362 1.664 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCC[NH3+])CC1 ZINC001173232674 777063200 /nfs/dbraw/zinc/06/32/00/777063200.db2.gz FMOKQLQOWGDMBK-AWEZNQCLSA-N 1 1 306.410 1.492 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001175839398 777922409 /nfs/dbraw/zinc/92/24/09/777922409.db2.gz XQBMBTRHWSXYOK-SECBINFHSA-N 1 1 312.757 1.654 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001176886049 778294405 /nfs/dbraw/zinc/29/44/05/778294405.db2.gz FHGFJXPNTVLDOL-LBPRGKRZSA-N 1 1 319.369 1.108 20 5 DDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1CC[N@H+]1C ZINC001178455279 779057222 /nfs/dbraw/zinc/05/72/22/779057222.db2.gz DGNQZVWTBHZOAY-SECBINFHSA-N 1 1 324.312 1.126 20 5 DDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC001178455279 779057227 /nfs/dbraw/zinc/05/72/27/779057227.db2.gz DGNQZVWTBHZOAY-SECBINFHSA-N 1 1 324.312 1.126 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110227824 779267381 /nfs/dbraw/zinc/26/73/81/779267381.db2.gz NKDNMWNNHSBEJG-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO Cc1nonc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267233018 837575143 /nfs/dbraw/zinc/57/51/43/837575143.db2.gz IIWIEZNFWPLJAK-UHFFFAOYSA-N 1 1 319.321 1.148 20 5 DDBDMO Cc1nonc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001267233018 837575148 /nfs/dbraw/zinc/57/51/48/837575148.db2.gz IIWIEZNFWPLJAK-UHFFFAOYSA-N 1 1 319.321 1.148 20 5 DDBDMO Cn1ccnc1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001154617398 861285688 /nfs/dbraw/zinc/28/56/88/861285688.db2.gz MTHBLNWJBRKOCW-GQCTYLIASA-N 1 1 302.338 1.868 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119813 862098840 /nfs/dbraw/zinc/09/88/40/862098840.db2.gz LJLLJXDRMCAQIV-OTYXRUKQSA-N 1 1 304.350 1.390 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC001327617514 862320564 /nfs/dbraw/zinc/32/05/64/862320564.db2.gz SUTBYDWDJDYHGD-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO CN(C)C1(CNc2ncc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC001156182349 862787723 /nfs/dbraw/zinc/78/77/23/862787723.db2.gz QLNDROCMVCPSIG-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1[N+](=O)[O-] ZINC001157265911 863694960 /nfs/dbraw/zinc/69/49/60/863694960.db2.gz LIBVLZJHMNBHNH-JQWIXIFHSA-N 1 1 320.349 1.307 20 5 DDBDMO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157767181 864117937 /nfs/dbraw/zinc/11/79/37/864117937.db2.gz IPYVNMQFGQBBBB-TZMCWYRMSA-N 1 1 309.341 1.395 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC001331284353 864987554 /nfs/dbraw/zinc/98/75/54/864987554.db2.gz ZOPVMUBHPUBLEY-LBPRGKRZSA-N 1 1 320.393 1.875 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001225450793 881842262 /nfs/dbraw/zinc/84/22/62/881842262.db2.gz LHKJGWWMKUDHLV-LLVKDONJSA-N 1 1 317.301 1.972 20 5 DDBDMO CC[C@@]([NH3+])(CO)Nc1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001159744215 865498006 /nfs/dbraw/zinc/49/80/06/865498006.db2.gz SDXFVXRXEKURSA-VIFPVBQESA-N 1 1 307.763 1.229 20 5 DDBDMO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090933 865675438 /nfs/dbraw/zinc/67/54/38/865675438.db2.gz VSUCEBCYDLUNIK-HUUCEWRRSA-N 1 1 307.394 1.756 20 5 DDBDMO CC(C)=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090933 865675440 /nfs/dbraw/zinc/67/54/40/865675440.db2.gz VSUCEBCYDLUNIK-HUUCEWRRSA-N 1 1 307.394 1.756 20 5 DDBDMO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090933 865675445 /nfs/dbraw/zinc/67/54/45/865675445.db2.gz VSUCEBCYDLUNIK-HUUCEWRRSA-N 1 1 307.394 1.756 20 5 DDBDMO COC(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001322291846 868099210 /nfs/dbraw/zinc/09/92/10/868099210.db2.gz OVGPCJACNIYZSK-UHFFFAOYSA-N 1 1 323.349 1.748 20 5 DDBDMO COC(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001322291846 868099224 /nfs/dbraw/zinc/09/92/24/868099224.db2.gz OVGPCJACNIYZSK-UHFFFAOYSA-N 1 1 323.349 1.748 20 5 DDBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001335518728 868357271 /nfs/dbraw/zinc/35/72/71/868357271.db2.gz GKWNPUYWEHLQHO-JTQLQIEISA-N 1 1 319.321 1.042 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762925 869129063 /nfs/dbraw/zinc/12/90/63/869129063.db2.gz JQZIEUZWERRKAH-XJKSGUPXSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762925 869129070 /nfs/dbraw/zinc/12/90/70/869129070.db2.gz JQZIEUZWERRKAH-XJKSGUPXSA-N 1 1 307.394 1.948 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762925 869129077 /nfs/dbraw/zinc/12/90/77/869129077.db2.gz JQZIEUZWERRKAH-XJKSGUPXSA-N 1 1 307.394 1.948 20 5 DDBDMO COc1ccc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC001308164984 871474772 /nfs/dbraw/zinc/47/47/72/871474772.db2.gz WWGLQOVHGPDMKT-STQMWFEESA-N 1 1 310.350 1.026 20 5 DDBDMO O=C(NCC1C[NH+](CCCCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001318119105 871759881 /nfs/dbraw/zinc/75/98/81/871759881.db2.gz NFHJFPUVHANYRU-GHMZBOCLSA-N 1 1 323.315 1.432 20 5 DDBDMO O=C(NCC[NH+]1CC=CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001318954422 872366301 /nfs/dbraw/zinc/36/63/01/872366301.db2.gz ZPUIIPIZAUACRG-UHFFFAOYSA-N 1 1 316.361 1.771 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001342848863 872411332 /nfs/dbraw/zinc/41/13/32/872411332.db2.gz ZAXKVEQDPTVJQU-HNNXBMFYSA-N 1 1 310.350 1.903 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@](C)(CO)C2)c1[N+](=O)[O-] ZINC001342848863 872411346 /nfs/dbraw/zinc/41/13/46/872411346.db2.gz ZAXKVEQDPTVJQU-HNNXBMFYSA-N 1 1 310.350 1.903 20 5 DDBDMO C[C@@H]([NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001207474588 873314508 /nfs/dbraw/zinc/31/45/08/873314508.db2.gz HZRITMNALHDCGI-VCTAVGKDSA-N 1 1 318.333 1.130 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001227043353 882790942 /nfs/dbraw/zinc/79/09/42/882790942.db2.gz DJGOTTMBFPRPLI-LLVKDONJSA-N 1 1 317.301 1.972 20 5 DDBDMO COC(=O)c1cnc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001233865907 887404316 /nfs/dbraw/zinc/40/43/16/887404316.db2.gz KNANBPXEJSTSDH-SNVBAGLBSA-N 1 1 318.289 1.367 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001234581680 888118367 /nfs/dbraw/zinc/11/83/67/888118367.db2.gz IQALNDMNAPUFGZ-UHFFFAOYSA-N 1 1 324.381 1.017 20 5 DDBDMO COc1ccc(C[C@H](C)[NH2+][C@@H]2CNCCC2=O)c([N+](=O)[O-])c1 ZINC001246294590 892519957 /nfs/dbraw/zinc/51/99/57/892519957.db2.gz RIJBOVZNQNFTEJ-GXFFZTMASA-N 1 1 307.350 1.055 20 5 DDBDMO COc1ccc(C[C@H](C)N[C@@H]2C[NH2+]CCC2=O)c([N+](=O)[O-])c1 ZINC001246294590 892519966 /nfs/dbraw/zinc/51/99/66/892519966.db2.gz RIJBOVZNQNFTEJ-GXFFZTMASA-N 1 1 307.350 1.055 20 5 DDBDMO [NH3+][C@@H](Cc1c[nH]cn1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247100866 893105976 /nfs/dbraw/zinc/10/59/76/893105976.db2.gz NGDMRLXIIGTPMZ-QMMMGPOBSA-N 1 1 319.256 1.145 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(CCc2[nH]cc[nH+]2)n1 ZINC001247273515 893148741 /nfs/dbraw/zinc/14/87/41/893148741.db2.gz DHPIYFLWKXYPTM-UHFFFAOYSA-N 1 1 304.241 1.687 20 5 DDBDMO Cc1cc(N(C(N)=[NH2+])[C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001254550852 896499259 /nfs/dbraw/zinc/49/92/59/896499259.db2.gz SHNHGRZTBUZGMN-JTQLQIEISA-N 1 1 302.338 1.957 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263996116 900865068 /nfs/dbraw/zinc/86/50/68/900865068.db2.gz STGZXTBJEIJNCO-ATGSNQNLSA-N 1 1 319.361 1.085 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000248969477 282122297 /nfs/dbraw/zinc/12/22/97/282122297.db2.gz SKIBTXCYIIUYPB-RISCZKNCSA-N 1 1 310.350 1.685 20 5 DDBDMO C[C@H](CO)[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000248985807 282124013 /nfs/dbraw/zinc/12/40/13/282124013.db2.gz WGOCPRNAGCYJAW-ZJUUUORDSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000248985807 282124015 /nfs/dbraw/zinc/12/40/15/282124015.db2.gz WGOCPRNAGCYJAW-ZJUUUORDSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1O ZINC000614661518 361968466 /nfs/dbraw/zinc/96/84/66/361968466.db2.gz KLGVOJKKCKPLNO-ZWNOBZJWSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1O ZINC000614661518 361968470 /nfs/dbraw/zinc/96/84/70/361968470.db2.gz KLGVOJKKCKPLNO-ZWNOBZJWSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451624713 231141504 /nfs/dbraw/zinc/14/15/04/231141504.db2.gz BADDLCDEHNSWDT-TYNCELHUSA-N 1 1 318.377 1.558 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451924397 231233898 /nfs/dbraw/zinc/23/38/98/231233898.db2.gz DOHMEUJJUVRXDI-OAHLLOKOSA-N 1 1 310.350 1.434 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614895209 362066734 /nfs/dbraw/zinc/06/67/34/362066734.db2.gz QMDIPUSPZIJYST-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614895209 362066737 /nfs/dbraw/zinc/06/67/37/362066737.db2.gz QMDIPUSPZIJYST-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614920491 362077938 /nfs/dbraw/zinc/07/79/38/362077938.db2.gz IUTRTELFNOJSOW-UHFFFAOYSA-N 1 1 323.393 1.492 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255414109 282255544 /nfs/dbraw/zinc/25/55/44/282255544.db2.gz DSVZRLHBDONWON-TWGQIWQCSA-N 1 1 321.377 1.693 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292352946 529811705 /nfs/dbraw/zinc/81/17/05/529811705.db2.gz VOFNPVNQVFLDJQ-HNNXBMFYSA-N 1 1 307.325 1.902 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCC(F)(F)F ZINC000292578919 530004510 /nfs/dbraw/zinc/00/45/10/530004510.db2.gz ZINUWOFZKQWCRU-LLVKDONJSA-N 1 1 322.283 1.966 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299526827 530058049 /nfs/dbraw/zinc/05/80/49/530058049.db2.gz CNVIWFLRLGHIKQ-LLVKDONJSA-N 1 1 302.334 1.900 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000330783995 232066247 /nfs/dbraw/zinc/06/62/47/232066247.db2.gz RGGXFNOXTSORRT-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000330783995 232066250 /nfs/dbraw/zinc/06/62/50/232066250.db2.gz RGGXFNOXTSORRT-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330913841 232158762 /nfs/dbraw/zinc/15/87/62/232158762.db2.gz IDYZKNKNBAUNAU-LBPRGKRZSA-N 1 1 306.366 1.194 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330913841 232158765 /nfs/dbraw/zinc/15/87/65/232158765.db2.gz IDYZKNKNBAUNAU-LBPRGKRZSA-N 1 1 306.366 1.194 20 5 DDBDMO CC[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286770073 219157325 /nfs/dbraw/zinc/15/73/25/219157325.db2.gz ZUBHWUABKQBPCV-ZIAGYGMSSA-N 1 1 323.393 1.361 20 5 DDBDMO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272663215 210066809 /nfs/dbraw/zinc/06/68/09/210066809.db2.gz IFNLNRGLFWEVJV-RYUDHWBXSA-N 1 1 307.350 1.903 20 5 DDBDMO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000237498787 186298034 /nfs/dbraw/zinc/29/80/34/186298034.db2.gz ZGLPHFSHTJEFLM-VHSXEESVSA-N 1 1 317.349 1.671 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000172298875 198074542 /nfs/dbraw/zinc/07/45/42/198074542.db2.gz QHRMWKLIQDYILM-HNNXBMFYSA-N 1 1 310.350 1.447 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000053572010 352660980 /nfs/dbraw/zinc/66/09/80/352660980.db2.gz ZPXWNKGSSDBAKB-UONOGXRCSA-N 1 1 318.377 1.993 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068211119 353096147 /nfs/dbraw/zinc/09/61/47/353096147.db2.gz VKEZKUZPFPNOCX-QWHCGFSZSA-N 1 1 323.397 1.418 20 5 DDBDMO C[C@H](O)CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072714902 353211827 /nfs/dbraw/zinc/21/18/27/353211827.db2.gz RKUNUYNEDZFNLE-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@H](O)CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072714902 353211831 /nfs/dbraw/zinc/21/18/31/353211831.db2.gz RKUNUYNEDZFNLE-NSHDSACASA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000074104921 353292628 /nfs/dbraw/zinc/29/26/28/353292628.db2.gz MBCNUFNQORKJOM-SNVBAGLBSA-N 1 1 313.379 1.497 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074160856 353296494 /nfs/dbraw/zinc/29/64/94/353296494.db2.gz AQVFYWMBYALQID-CYBMUJFWSA-N 1 1 320.393 1.778 20 5 DDBDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075744951 353379235 /nfs/dbraw/zinc/37/92/35/353379235.db2.gz OEGKCHNRGHITIU-ZFWWWQNUSA-N 1 1 310.398 1.910 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076269948 353410545 /nfs/dbraw/zinc/41/05/45/353410545.db2.gz HTWMMQAEQGMHMV-SNVBAGLBSA-N 1 1 308.386 1.889 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022588 353501940 /nfs/dbraw/zinc/50/19/40/353501940.db2.gz VYRSHBMMNOOMBW-OAHLLOKOSA-N 1 1 320.393 1.731 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079914614 353581915 /nfs/dbraw/zinc/58/19/15/353581915.db2.gz OXQIHQHUSVPXJH-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093333663 353895734 /nfs/dbraw/zinc/89/57/34/353895734.db2.gz NDMHONBHJREZFC-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO CCc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000094165942 353912446 /nfs/dbraw/zinc/91/24/46/353912446.db2.gz ANWRBMXTBASLGS-OUCADQQQSA-N 1 1 319.409 1.811 20 5 DDBDMO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156798813 354221221 /nfs/dbraw/zinc/22/12/21/354221221.db2.gz NOIQEBRKNSMXIU-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156798813 354221225 /nfs/dbraw/zinc/22/12/25/354221225.db2.gz NOIQEBRKNSMXIU-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038358 354223141 /nfs/dbraw/zinc/22/31/41/354223141.db2.gz HONAWWFSCWSRTM-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157038358 354223144 /nfs/dbraw/zinc/22/31/44/354223144.db2.gz HONAWWFSCWSRTM-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588774919 354936212 /nfs/dbraw/zinc/93/62/12/354936212.db2.gz WJBBXWCHQMIRKD-UHFFFAOYSA-N 1 1 321.337 1.505 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000589515643 354998971 /nfs/dbraw/zinc/99/89/71/354998971.db2.gz VSPOUUDQKKFIQC-OAHLLOKOSA-N 1 1 321.333 1.079 20 5 DDBDMO COc1ccc(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044220 355042454 /nfs/dbraw/zinc/04/24/54/355042454.db2.gz ISKOCPSNGZIHLT-GXTWGEPZSA-N 1 1 319.361 1.308 20 5 DDBDMO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1F ZINC000590045687 355043723 /nfs/dbraw/zinc/04/37/23/355043723.db2.gz SVRKMGJNYXVODN-ZIBATOQPSA-N 1 1 321.352 2.000 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000590444722 355098747 /nfs/dbraw/zinc/09/87/47/355098747.db2.gz KEKZHHWPPQVFME-MEBBXXQBSA-N 1 1 314.345 1.852 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655920 355139028 /nfs/dbraw/zinc/13/90/28/355139028.db2.gz MZFNRPSVYUMKFS-YPMHNXCESA-N 1 1 322.361 1.959 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000590720119 355155347 /nfs/dbraw/zinc/15/53/47/355155347.db2.gz UICIKPOQOHBTCY-SCZZXKLOSA-N 1 1 305.363 1.740 20 5 DDBDMO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000590776499 355176376 /nfs/dbraw/zinc/17/63/76/355176376.db2.gz OWMSTCBPFPZDDC-OSAQELSMSA-N 1 1 303.362 1.861 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593000074 355765547 /nfs/dbraw/zinc/76/55/47/355765547.db2.gz UTBVFWOZJKNNMV-MRXNPFEDSA-N 1 1 304.394 1.811 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)C(C)(C)O)c1 ZINC000593029597 355774650 /nfs/dbraw/zinc/77/46/50/355774650.db2.gz CTSLGAVMKAXGFX-JTQLQIEISA-N 1 1 310.350 1.973 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017223 356089850 /nfs/dbraw/zinc/08/98/50/356089850.db2.gz VQWCGWKJPHVLBY-ZIAGYGMSSA-N 1 1 324.377 1.571 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC[N@H+]3C[C@H](O)C[C@H]3C1)CCCC2 ZINC000594603721 356261527 /nfs/dbraw/zinc/26/15/27/356261527.db2.gz MDMFUQCUNHFNNA-QWHCGFSZSA-N 1 1 318.377 1.124 20 5 DDBDMO C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595695905 356612401 /nfs/dbraw/zinc/61/24/01/356612401.db2.gz JBFUFRFUZJUKGA-FZMZJTMJSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595744150 356632171 /nfs/dbraw/zinc/63/21/71/356632171.db2.gz TVXJDOXJUXFWST-RSUWNVLCSA-N 1 1 324.377 1.283 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595736341 356628249 /nfs/dbraw/zinc/62/82/49/356628249.db2.gz FAVGTCMYXPGLPT-BXUZGUMPSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595869414 356685789 /nfs/dbraw/zinc/68/57/89/356685789.db2.gz CWGFIAOHWNAVAQ-OZVIIMIRSA-N 1 1 321.377 1.872 20 5 DDBDMO Cc1ccc(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595923676 356706497 /nfs/dbraw/zinc/70/64/97/356706497.db2.gz AWZRCFXZVCOOTK-JTQLQIEISA-N 1 1 315.333 1.956 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596207448 356814089 /nfs/dbraw/zinc/81/40/89/356814089.db2.gz QRLPSJUOJCXFBO-UHFFFAOYSA-N 1 1 318.337 1.510 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596816516 356984693 /nfs/dbraw/zinc/98/46/93/356984693.db2.gz JDNDLTZQVKXMJB-JTQLQIEISA-N 1 1 307.354 1.406 20 5 DDBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347670950 283251032 /nfs/dbraw/zinc/25/10/32/283251032.db2.gz YDJLZRQJVRLCTL-CYBMUJFWSA-N 1 1 309.370 1.030 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1 ZINC000597860241 357362783 /nfs/dbraw/zinc/36/27/83/357362783.db2.gz MLQOYVBJABVMFX-JTQLQIEISA-N 1 1 309.370 1.414 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597925916 357385293 /nfs/dbraw/zinc/38/52/93/357385293.db2.gz YEQHDPLILCGKNW-JTQLQIEISA-N 1 1 308.338 1.298 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000599595783 357986784 /nfs/dbraw/zinc/98/67/84/357986784.db2.gz KKHRHEBXUSDUAU-CWRNSKLLSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000599595783 357986787 /nfs/dbraw/zinc/98/67/87/357986787.db2.gz KKHRHEBXUSDUAU-CWRNSKLLSA-N 1 1 322.361 1.588 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600528247 358249138 /nfs/dbraw/zinc/24/91/38/358249138.db2.gz QOALUDXFZNWPHD-SNVBAGLBSA-N 1 1 313.741 1.045 20 5 DDBDMO C[C@@]1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCC(=O)N1 ZINC000601172554 358432384 /nfs/dbraw/zinc/43/23/84/358432384.db2.gz AOXWWVBTWFHTGL-HNNXBMFYSA-N 1 1 300.318 1.646 20 5 DDBDMO O=C1NCCC[C@@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601173604 358433314 /nfs/dbraw/zinc/43/33/14/358433314.db2.gz DOSQNLHPJXOQKI-SNVBAGLBSA-N 1 1 300.318 1.503 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000601192550 358441118 /nfs/dbraw/zinc/44/11/18/358441118.db2.gz WRZFDEIKWGJSEF-ZDUSSCGKSA-N 1 1 320.393 1.875 20 5 DDBDMO COc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602624473 359081280 /nfs/dbraw/zinc/08/12/80/359081280.db2.gz BOLAVMOEFJUHPB-UHFFFAOYSA-N 1 1 316.361 1.938 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOc2ccccc2C1 ZINC000602767478 359177073 /nfs/dbraw/zinc/17/70/73/359177073.db2.gz HYQMIRIKXZGPFF-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOc2ccccc2C1 ZINC000602767478 359177075 /nfs/dbraw/zinc/17/70/75/359177075.db2.gz HYQMIRIKXZGPFF-UHFFFAOYSA-N 1 1 302.334 1.994 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000602836713 359227623 /nfs/dbraw/zinc/22/76/23/359227623.db2.gz GYFPVVHNNMRBDH-LBPRGKRZSA-N 1 1 324.772 1.897 20 5 DDBDMO CS[C@H]1C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602797270 359199143 /nfs/dbraw/zinc/19/91/43/359199143.db2.gz IBPQQAYJLGVXTI-RYUDHWBXSA-N 1 1 313.427 1.077 20 5 DDBDMO CS[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000602797270 359199150 /nfs/dbraw/zinc/19/91/50/359199150.db2.gz IBPQQAYJLGVXTI-RYUDHWBXSA-N 1 1 313.427 1.077 20 5 DDBDMO Cn1cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000602917645 359294192 /nfs/dbraw/zinc/29/41/92/359294192.db2.gz SVEZTOGQHJXZTJ-ZDUSSCGKSA-N 1 1 324.381 1.082 20 5 DDBDMO Cn1c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000603142475 359431278 /nfs/dbraw/zinc/43/12/78/359431278.db2.gz MVMWJFKYMSUFJE-LBPRGKRZSA-N 1 1 308.382 1.736 20 5 DDBDMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(CO)CC1 ZINC000186781285 200009537 /nfs/dbraw/zinc/00/95/37/200009537.db2.gz JGDORMIKDKPWBR-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(CO)CC1 ZINC000186781285 200009539 /nfs/dbraw/zinc/00/95/39/200009539.db2.gz JGDORMIKDKPWBR-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO CCCNC(=O)C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000603855025 359688119 /nfs/dbraw/zinc/68/81/19/359688119.db2.gz ZDCJGBSBTUDGEF-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281153034 216115472 /nfs/dbraw/zinc/11/54/72/216115472.db2.gz FQZXGBYUFUHSQA-OCCSQVGLSA-N 1 1 305.334 1.834 20 5 DDBDMO Cc1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000610489135 360449997 /nfs/dbraw/zinc/44/99/97/360449997.db2.gz FTQYOOWDKKMGBF-AWEZNQCLSA-N 1 1 320.393 1.989 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000611185063 360652821 /nfs/dbraw/zinc/65/28/21/360652821.db2.gz HAEWWYZKLCMALE-CYBMUJFWSA-N 1 1 317.349 1.290 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOc2ccccc2C1 ZINC000611185675 360653127 /nfs/dbraw/zinc/65/31/27/360653127.db2.gz IFQNJYYJNIPGAF-UHFFFAOYSA-N 1 1 315.329 1.651 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOc2ccccc2C1 ZINC000611185675 360653133 /nfs/dbraw/zinc/65/31/33/360653133.db2.gz IFQNJYYJNIPGAF-UHFFFAOYSA-N 1 1 315.329 1.651 20 5 DDBDMO CCCC[N@@H+](CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249838 360679645 /nfs/dbraw/zinc/67/96/45/360679645.db2.gz AUANLXUZNJILCU-UHFFFAOYSA-N 1 1 310.350 1.960 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCOC1 ZINC000611275762 360686899 /nfs/dbraw/zinc/68/68/99/360686899.db2.gz UGIJWDLWKVVTED-LLVKDONJSA-N 1 1 308.334 1.834 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000611567810 360763162 /nfs/dbraw/zinc/76/31/62/360763162.db2.gz JLJMNDVTRAJBGJ-UHFFFAOYSA-N 1 1 318.333 1.960 20 5 DDBDMO COc1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000613869038 361609899 /nfs/dbraw/zinc/60/98/99/361609899.db2.gz UXXPHMKRORKBOM-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO COc1cc(CNCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000271856168 209271363 /nfs/dbraw/zinc/27/13/63/209271363.db2.gz UXNZJOJAEPAUBO-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO COc1cc(CNCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000271856168 209271364 /nfs/dbraw/zinc/27/13/64/209271364.db2.gz UXNZJOJAEPAUBO-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275140069 212146027 /nfs/dbraw/zinc/14/60/27/212146027.db2.gz NXVKESURXLXBQQ-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000264627346 204039413 /nfs/dbraw/zinc/03/94/13/204039413.db2.gz SVXFDHZRCREMFL-GFCCVEGCSA-N 1 1 310.329 1.486 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000264888453 204239965 /nfs/dbraw/zinc/23/99/65/204239965.db2.gz WKRAXYTYTWJNKR-UHFFFAOYSA-N 1 1 310.379 1.765 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C3CCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000265057862 204369177 /nfs/dbraw/zinc/36/91/77/204369177.db2.gz LGDYSPSJBYZKLJ-UHFFFAOYSA-N 1 1 318.377 1.796 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC[C@@H]1CCCO1 ZINC000282505029 217047018 /nfs/dbraw/zinc/04/70/18/217047018.db2.gz RHEKMEVMPXKBBL-HNNXBMFYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC[C@@H]1CCCO1 ZINC000282505029 217047020 /nfs/dbraw/zinc/04/70/20/217047020.db2.gz RHEKMEVMPXKBBL-HNNXBMFYSA-N 1 1 321.377 1.364 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000282728791 217206367 /nfs/dbraw/zinc/20/63/67/217206367.db2.gz LAZWGSFMDIEBQJ-OAHLLOKOSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266151788 205139141 /nfs/dbraw/zinc/13/91/41/205139141.db2.gz FURZHMIUGRSDHV-VIFPVBQESA-N 1 1 319.358 1.352 20 5 DDBDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416827 205331391 /nfs/dbraw/zinc/33/13/91/205331391.db2.gz HORHLHQYLUZQQV-NHYWBVRUSA-N 1 1 322.340 1.984 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000336894850 249284156 /nfs/dbraw/zinc/28/41/56/249284156.db2.gz XGJWYUBSIQUISJ-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000339136978 250309322 /nfs/dbraw/zinc/30/93/22/250309322.db2.gz NVMKYTOOKRRBMK-LBPRGKRZSA-N 1 1 307.350 1.704 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000341042250 251350454 /nfs/dbraw/zinc/35/04/54/251350454.db2.gz HEUQOASJMYLDNJ-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)[C@H]2CCc3ccccc32)n1 ZINC000176242618 285167989 /nfs/dbraw/zinc/16/79/89/285167989.db2.gz FRUCHYSLPTTYSD-HNNXBMFYSA-N 1 1 316.361 1.773 20 5 DDBDMO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000157647489 197204272 /nfs/dbraw/zinc/20/42/72/197204272.db2.gz YRNOMQDDUCANHX-GZMMTYOYSA-N 1 1 303.322 1.328 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661542 285205599 /nfs/dbraw/zinc/20/55/99/285205599.db2.gz UALZPJGHNAVZEL-KBPBESRZSA-N 1 1 307.350 1.687 20 5 DDBDMO O=c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH][nH]1 ZINC000289480646 221006992 /nfs/dbraw/zinc/00/69/92/221006992.db2.gz RRJJFCRWFCDCSL-UHFFFAOYSA-N 1 1 321.312 1.525 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCCO)C2)c(Cl)c1 ZINC000294871080 224276486 /nfs/dbraw/zinc/27/64/86/224276486.db2.gz DFSOBMKSQLIENO-JTQLQIEISA-N 1 1 314.773 1.902 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC000451189558 533224070 /nfs/dbraw/zinc/22/40/70/533224070.db2.gz FPFXJJDXFQVQSV-SNVBAGLBSA-N 1 1 311.313 1.976 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1nc(C)ccc1[N+](=O)[O-])C(C)C ZINC000294955676 224337201 /nfs/dbraw/zinc/33/72/01/224337201.db2.gz MMPYAWWPPGZILE-ZDUSSCGKSA-N 1 1 324.381 1.887 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451578517 533415692 /nfs/dbraw/zinc/41/56/92/533415692.db2.gz XKIGOQXZHCKPGW-IINYFYTJSA-N 1 1 307.350 1.551 20 5 DDBDMO COc1cc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292364528 533525463 /nfs/dbraw/zinc/52/54/63/533525463.db2.gz WHDZNWWUSNGCOW-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC([NH+](C)C)C2)cc1C ZINC000272156122 291991863 /nfs/dbraw/zinc/99/18/63/291991863.db2.gz YJBNESJRRYODDK-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO CN(Cc1cnc[nH]1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000569743895 304376589 /nfs/dbraw/zinc/37/65/89/304376589.db2.gz GJCPKNQVCDHQOF-UHFFFAOYSA-N 1 1 310.335 1.280 20 5 DDBDMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000070076665 406807737 /nfs/dbraw/zinc/80/77/37/406807737.db2.gz BSMWHTIWZHNMHJ-PHIMTYICSA-N 1 1 313.379 1.274 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000066832886 407260365 /nfs/dbraw/zinc/26/03/65/407260365.db2.gz JLMMPGPZUXHHML-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123324416 407325619 /nfs/dbraw/zinc/32/56/19/407325619.db2.gz QWGILHCXAKEIEZ-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067412547 407272943 /nfs/dbraw/zinc/27/29/43/407272943.db2.gz NSHJEQRPDLPIMG-AWEZNQCLSA-N 1 1 321.377 1.822 20 5 DDBDMO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000122487498 407302877 /nfs/dbraw/zinc/30/28/77/407302877.db2.gz USYKPTQJSFXTNJ-GFCCVEGCSA-N 1 1 324.381 1.191 20 5 DDBDMO CN(C(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000109331817 407397574 /nfs/dbraw/zinc/39/75/74/407397574.db2.gz OXTDXIMCVAVQJF-ZDUSSCGKSA-N 1 1 322.365 1.047 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126131509 407405981 /nfs/dbraw/zinc/40/59/81/407405981.db2.gz IZKUHTCNYOHYDS-JTQLQIEISA-N 1 1 307.325 1.948 20 5 DDBDMO C[NH+]1CCN([C@@H]2CCCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000127027037 407426054 /nfs/dbraw/zinc/42/60/54/407426054.db2.gz FXPCDCBJBWTJIZ-OAHLLOKOSA-N 1 1 319.409 1.596 20 5 DDBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000170793080 407509972 /nfs/dbraw/zinc/50/99/72/407509972.db2.gz NCYPLSJJRICMBY-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062592 407536351 /nfs/dbraw/zinc/53/63/51/407536351.db2.gz BXOCKCRSWAEZJM-LLVKDONJSA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000114062592 407536355 /nfs/dbraw/zinc/53/63/55/407536355.db2.gz BXOCKCRSWAEZJM-LLVKDONJSA-N 1 1 323.349 1.583 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114063109 407536583 /nfs/dbraw/zinc/53/65/83/407536583.db2.gz RIUHJVSKSCFNIJ-NSHDSACASA-N 1 1 323.349 1.664 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000271257745 407599584 /nfs/dbraw/zinc/59/95/84/407599584.db2.gz ALBJXMNCIBUMIF-GFCCVEGCSA-N 1 1 307.354 1.050 20 5 DDBDMO COC(=O)C1(O)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271476201 407697976 /nfs/dbraw/zinc/69/79/76/407697976.db2.gz VEXUMBZJRUWGDA-NSHDSACASA-N 1 1 308.334 1.656 20 5 DDBDMO C[NH+](C)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000272095565 407772782 /nfs/dbraw/zinc/77/27/82/407772782.db2.gz KHQSSCZYPFFYJE-UHFFFAOYSA-N 1 1 319.770 1.183 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000153195311 407776865 /nfs/dbraw/zinc/77/68/65/407776865.db2.gz XBZSQMVLVPEEKY-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268034001 407862517 /nfs/dbraw/zinc/86/25/17/407862517.db2.gz LTRCVEVCIHXLKH-CQSZACIVSA-N 1 1 306.366 1.655 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272493324 407947697 /nfs/dbraw/zinc/94/76/97/407947697.db2.gz CPQSZZCAQHMBKT-QMTHXVAHSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272493324 407947704 /nfs/dbraw/zinc/94/77/04/407947704.db2.gz CPQSZZCAQHMBKT-QMTHXVAHSA-N 1 1 305.334 1.467 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272428618 407914436 /nfs/dbraw/zinc/91/44/36/407914436.db2.gz HJCOHNICAFFRFT-CHWSQXEVSA-N 1 1 321.381 1.042 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174316989 407929444 /nfs/dbraw/zinc/92/94/44/407929444.db2.gz FAUWCGNHJAQGEY-VHSXEESVSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174316989 407929448 /nfs/dbraw/zinc/92/94/48/407929448.db2.gz FAUWCGNHJAQGEY-VHSXEESVSA-N 1 1 313.379 1.183 20 5 DDBDMO C[C@H](CO)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272477262 407940379 /nfs/dbraw/zinc/94/03/79/407940379.db2.gz BJBUIBIZNLUJJS-SMDDNHRTSA-N 1 1 304.350 1.636 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000119079808 407989398 /nfs/dbraw/zinc/98/93/98/407989398.db2.gz XWHZHBWLBJNGKU-LLVKDONJSA-N 1 1 308.386 1.889 20 5 DDBDMO CO[C@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182341669 408131633 /nfs/dbraw/zinc/13/16/33/408131633.db2.gz CDYHPKGCIFQJJB-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246142571 408154187 /nfs/dbraw/zinc/15/41/87/408154187.db2.gz KPSHJFXDYIEGPH-NWDGAFQWSA-N 1 1 321.381 1.391 20 5 DDBDMO CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246142571 408154191 /nfs/dbraw/zinc/15/41/91/408154191.db2.gz KPSHJFXDYIEGPH-NWDGAFQWSA-N 1 1 321.381 1.391 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000121239887 408168505 /nfs/dbraw/zinc/16/85/05/408168505.db2.gz KRXSLTVHWKYVIE-STQMWFEESA-N 1 1 321.377 1.772 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269302061 408261193 /nfs/dbraw/zinc/26/11/93/408261193.db2.gz USIPWXOTPRHTAA-QMTHXVAHSA-N 1 1 307.350 1.713 20 5 DDBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269302061 408261196 /nfs/dbraw/zinc/26/11/96/408261196.db2.gz USIPWXOTPRHTAA-QMTHXVAHSA-N 1 1 307.350 1.713 20 5 DDBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221405 408315196 /nfs/dbraw/zinc/31/51/96/408315196.db2.gz CHWIDDVXVJJSMS-CYBMUJFWSA-N 1 1 323.397 1.420 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190850245 408331192 /nfs/dbraw/zinc/33/11/92/408331192.db2.gz MWQTVAKGOCOSDS-UTUOFQBUSA-N 1 1 307.350 1.482 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157425289 408304364 /nfs/dbraw/zinc/30/43/64/408304364.db2.gz JCJWWMZMKKWBKJ-LLVKDONJSA-N 1 1 316.361 1.687 20 5 DDBDMO NC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176199582 408306028 /nfs/dbraw/zinc/30/60/28/408306028.db2.gz PSDZWBUNXSVSHC-UHFFFAOYSA-N 1 1 317.349 1.169 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000246627080 408306084 /nfs/dbraw/zinc/30/60/84/408306084.db2.gz AQCXSAHEEAAVIC-MWLCHTKSSA-N 1 1 322.287 1.427 20 5 DDBDMO Cn1cc[nH+]c1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132566951 162039464 /nfs/dbraw/zinc/03/94/64/162039464.db2.gz GRHTYYWRWXJWRL-UHFFFAOYSA-N 1 1 313.111 1.301 20 5 DDBDMO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000269699304 408396994 /nfs/dbraw/zinc/39/69/94/408396994.db2.gz QGVADBUWSQDGDX-GFCCVEGCSA-N 1 1 323.418 1.691 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274466377 408416664 /nfs/dbraw/zinc/41/66/64/408416664.db2.gz KRKSQUOFAIIPAE-GFCCVEGCSA-N 1 1 309.370 1.170 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000274505627 408432053 /nfs/dbraw/zinc/43/20/53/408432053.db2.gz PZGDAKWDDVMJFT-LBPRGKRZSA-N 1 1 306.366 1.780 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000247523648 408486916 /nfs/dbraw/zinc/48/69/16/408486916.db2.gz WPZVXRQXTAEJLT-IUODEOHRSA-N 1 1 321.377 1.772 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177131096 408528146 /nfs/dbraw/zinc/52/81/46/408528146.db2.gz IPPDAVNWHXXDAH-DGCLKSJQSA-N 1 1 303.362 1.879 20 5 DDBDMO COCC[N@@H+]1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000264543343 408529515 /nfs/dbraw/zinc/52/95/15/408529515.db2.gz BCDNWUYCUBWCPI-ZDUSSCGKSA-N 1 1 307.350 1.930 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000264543343 408529519 /nfs/dbraw/zinc/52/95/19/408529519.db2.gz BCDNWUYCUBWCPI-ZDUSSCGKSA-N 1 1 307.350 1.930 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176866516 408461663 /nfs/dbraw/zinc/46/16/63/408461663.db2.gz FGQZCAKNIMSQHN-JQWIXIFHSA-N 1 1 306.366 1.589 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1O ZINC000177214866 408555627 /nfs/dbraw/zinc/55/56/27/408555627.db2.gz IKPAEQBGQIHZKJ-UHFFFAOYSA-N 1 1 306.322 1.638 20 5 DDBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000184180259 408564103 /nfs/dbraw/zinc/56/41/03/408564103.db2.gz XKPJHOBJANNHGV-UHFFFAOYSA-N 1 1 324.381 1.334 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534280 408566297 /nfs/dbraw/zinc/56/62/97/408566297.db2.gz WDMVXQYWFPEHNU-WFASDCNBSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534280 408566299 /nfs/dbraw/zinc/56/62/99/408566299.db2.gz WDMVXQYWFPEHNU-WFASDCNBSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275333424 408585588 /nfs/dbraw/zinc/58/55/88/408585588.db2.gz GKGNAUPGRWGQCN-MNOVXSKESA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275333424 408585592 /nfs/dbraw/zinc/58/55/92/408585592.db2.gz GKGNAUPGRWGQCN-MNOVXSKESA-N 1 1 324.337 1.394 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177162518 408538626 /nfs/dbraw/zinc/53/86/26/408538626.db2.gz GXZLDTRBHQKFAE-GXSJLCMTSA-N 1 1 304.350 1.653 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264697663 408543827 /nfs/dbraw/zinc/54/38/27/408543827.db2.gz SQUZSEYDZLHAHP-JTQLQIEISA-N 1 1 302.334 1.758 20 5 DDBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248943490 408665830 /nfs/dbraw/zinc/66/58/30/408665830.db2.gz CZQCZPOLZLBHOQ-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000248943490 408665838 /nfs/dbraw/zinc/66/58/38/408665838.db2.gz CZQCZPOLZLBHOQ-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270858202 408711723 /nfs/dbraw/zinc/71/17/23/408711723.db2.gz HTWVJMCUVITGLF-CQSZACIVSA-N 1 1 319.361 1.670 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cncc(F)c3)CC2)c1 ZINC000270921359 408742100 /nfs/dbraw/zinc/74/21/00/408742100.db2.gz PBMUMKSULWQZME-UHFFFAOYSA-N 1 1 320.328 1.148 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C(C)C ZINC000177972007 408747887 /nfs/dbraw/zinc/74/78/87/408747887.db2.gz FBWJGKWEKXAPHD-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C(C)C ZINC000177972007 408747895 /nfs/dbraw/zinc/74/78/95/408747895.db2.gz FBWJGKWEKXAPHD-UHFFFAOYSA-N 1 1 311.338 1.245 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276191481 408824710 /nfs/dbraw/zinc/82/47/10/408824710.db2.gz IHQNGUUENJMOSD-NSHDSACASA-N 1 1 306.366 1.780 20 5 DDBDMO Cc1c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285953354 408895860 /nfs/dbraw/zinc/89/58/60/408895860.db2.gz WHZJGQCERZADPG-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO Nc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277585744 408971962 /nfs/dbraw/zinc/97/19/62/408971962.db2.gz RXIFLFXTBKHNHI-ZDUSSCGKSA-N 1 1 318.377 1.924 20 5 DDBDMO CSC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000292297393 409019714 /nfs/dbraw/zinc/01/97/14/409019714.db2.gz CXSYZMMMOCSARM-GFCCVEGCSA-N 1 1 311.407 1.832 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000292309047 409021741 /nfs/dbraw/zinc/02/17/41/409021741.db2.gz DROUYNUUQQKJQW-RYUDHWBXSA-N 1 1 310.350 1.827 20 5 DDBDMO CC[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293314741 409087556 /nfs/dbraw/zinc/08/75/56/409087556.db2.gz XFRFZVMZYHVTPN-MRXNPFEDSA-N 1 1 321.377 1.514 20 5 DDBDMO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000293510748 409128412 /nfs/dbraw/zinc/12/84/12/409128412.db2.gz VCCJKIXCZNXTMY-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO ZINC000293510748 409128413 /nfs/dbraw/zinc/12/84/13/409128413.db2.gz VCCJKIXCZNXTMY-JTQLQIEISA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000293638749 409152551 /nfs/dbraw/zinc/15/25/51/409152551.db2.gz JMTSGVJSMPYBGP-BXUZGUMPSA-N 1 1 307.350 1.122 20 5 DDBDMO CC(C)(CCC[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293690975 409161560 /nfs/dbraw/zinc/16/15/60/409161560.db2.gz PATXRYWYGDJITP-UHFFFAOYSA-N 1 1 305.338 1.718 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284328660 409321262 /nfs/dbraw/zinc/32/12/62/409321262.db2.gz KOYJWIPLSYPJBD-CVEARBPZSA-N 1 1 305.378 1.808 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289447478 409274121 /nfs/dbraw/zinc/27/41/21/409274121.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 1 1 307.394 1.524 20 5 DDBDMO CN(C[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447478 409274124 /nfs/dbraw/zinc/27/41/24/409274124.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 1 1 307.394 1.524 20 5 DDBDMO CN(C[C@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289447478 409274129 /nfs/dbraw/zinc/27/41/29/409274129.db2.gz ULJVSGFOCCMMBA-MRXNPFEDSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296054269 409414322 /nfs/dbraw/zinc/41/43/22/409414322.db2.gz FWXVLUPPDSSGIR-IAQYHMDHSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296054269 409414329 /nfs/dbraw/zinc/41/43/29/409414329.db2.gz FWXVLUPPDSSGIR-IAQYHMDHSA-N 1 1 319.361 1.329 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc2sccn21 ZINC000316905080 164024578 /nfs/dbraw/zinc/02/45/78/164024578.db2.gz XYHZFJRXEWLBRM-NXEZZACHSA-N 1 1 323.378 1.579 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000322079788 164046071 /nfs/dbraw/zinc/04/60/71/164046071.db2.gz RLLRZYRAVVMPMR-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322079788 164046074 /nfs/dbraw/zinc/04/60/74/164046074.db2.gz RLLRZYRAVVMPMR-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000322079788 164046076 /nfs/dbraw/zinc/04/60/76/164046076.db2.gz RLLRZYRAVVMPMR-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CC[N@@H+](CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(C)C ZINC000342101258 409559684 /nfs/dbraw/zinc/55/96/84/409559684.db2.gz WXGIHMBBZJEXIG-UHFFFAOYSA-N 1 1 324.381 2.227 20 5 DDBDMO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](C)O ZINC000304000676 409562834 /nfs/dbraw/zinc/56/28/34/409562834.db2.gz RCGKAGFNSRCILD-GFCCVEGCSA-N 1 1 321.377 1.575 20 5 DDBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798507 409617367 /nfs/dbraw/zinc/61/73/67/409617367.db2.gz GLOLHYMIOYYQEO-XPTSAGLGSA-N 1 1 305.334 1.513 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798507 409617373 /nfs/dbraw/zinc/61/73/73/409617373.db2.gz GLOLHYMIOYYQEO-XPTSAGLGSA-N 1 1 305.334 1.513 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000348924734 409590593 /nfs/dbraw/zinc/59/05/93/409590593.db2.gz YJVJXLLZSDCOOK-UHFFFAOYSA-N 1 1 310.354 1.177 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354007495 409595736 /nfs/dbraw/zinc/59/57/36/409595736.db2.gz QDQWECMOTXLDPT-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000356835188 409645975 /nfs/dbraw/zinc/64/59/75/409645975.db2.gz CILRDVXOIWPNKM-QWRGUYRKSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000356835188 409645978 /nfs/dbraw/zinc/64/59/78/409645978.db2.gz CILRDVXOIWPNKM-QWRGUYRKSA-N 1 1 309.370 1.077 20 5 DDBDMO Cc1cccc(C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)c1[N+](=O)[O-] ZINC000354139886 409688062 /nfs/dbraw/zinc/68/80/62/409688062.db2.gz WCNVZTMJMCZQOM-UHFFFAOYSA-N 1 1 317.349 1.914 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000346144005 409818536 /nfs/dbraw/zinc/81/85/36/409818536.db2.gz UCIWFUGLJSCOKH-GHMZBOCLSA-N 1 1 323.397 1.873 20 5 DDBDMO CN(CC1CC1)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338375337 409948243 /nfs/dbraw/zinc/94/82/43/409948243.db2.gz DHHGUBFNMJVIOV-UHFFFAOYSA-N 1 1 305.378 1.938 20 5 DDBDMO CN(CC1CC1)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338375337 409948248 /nfs/dbraw/zinc/94/82/48/409948248.db2.gz DHHGUBFNMJVIOV-UHFFFAOYSA-N 1 1 305.378 1.938 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354665354 410001639 /nfs/dbraw/zinc/00/16/39/410001639.db2.gz QLWMGJWPHVGUCC-ZJUUUORDSA-N 1 1 309.370 1.619 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332238816 410003295 /nfs/dbraw/zinc/00/32/95/410003295.db2.gz UEXCPKNCNOOZAN-VXGBXAGGSA-N 1 1 321.377 1.986 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357460897 410052327 /nfs/dbraw/zinc/05/23/27/410052327.db2.gz RRFGCWKBNDADCO-UWVGGRQHSA-N 1 1 307.354 1.008 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1CCCC[C@H]1C ZINC000343076668 410125424 /nfs/dbraw/zinc/12/54/24/410125424.db2.gz NHECTAVUUKKFOV-VXGBXAGGSA-N 1 1 308.382 1.926 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343472889 410479544 /nfs/dbraw/zinc/47/95/44/410479544.db2.gz ZGDWPQBAXGHDIO-STQMWFEESA-N 1 1 320.393 1.630 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355306658 410431295 /nfs/dbraw/zinc/43/12/95/410431295.db2.gz ATBXZBJMVKNANW-UHFFFAOYSA-N 1 1 319.361 1.742 20 5 DDBDMO O=C(CCN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000359305963 410592134 /nfs/dbraw/zinc/59/21/34/410592134.db2.gz MHMFQNWKKZXTNC-TXEJJXNPSA-N 1 1 304.350 1.075 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000353068158 410765473 /nfs/dbraw/zinc/76/54/73/410765473.db2.gz QMQOSLPKSVOLQB-NSHDSACASA-N 1 1 307.354 1.231 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359628210 410781041 /nfs/dbraw/zinc/78/10/41/410781041.db2.gz ZITSRWYQJGBUFR-ZDUSSCGKSA-N 1 1 305.334 1.410 20 5 DDBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347928160 410795323 /nfs/dbraw/zinc/79/53/23/410795323.db2.gz UUJBQVVWBLMHSQ-NSHDSACASA-N 1 1 322.340 1.625 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000330612442 410827027 /nfs/dbraw/zinc/82/70/27/410827027.db2.gz QVYINUJPTYCPJK-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000330652072 410849741 /nfs/dbraw/zinc/84/97/41/410849741.db2.gz KLMZZELQQXHDAC-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO CN(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000344176416 411009711 /nfs/dbraw/zinc/00/97/11/411009711.db2.gz RYZGQPZMBYEDHG-UHFFFAOYSA-N 1 1 315.395 1.308 20 5 DDBDMO CN(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000344176416 411009718 /nfs/dbraw/zinc/00/97/18/411009718.db2.gz RYZGQPZMBYEDHG-UHFFFAOYSA-N 1 1 315.395 1.308 20 5 DDBDMO CC[N@@H+](C)CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494859 411029908 /nfs/dbraw/zinc/02/99/08/411029908.db2.gz GHELZFQKHSRGEV-OAHLLOKOSA-N 1 1 317.393 1.959 20 5 DDBDMO C[N@@H+](CCc1ccccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000344230935 411042716 /nfs/dbraw/zinc/04/27/16/411042716.db2.gz YYCHRQHRAPDORL-AWEZNQCLSA-N 1 1 320.349 1.032 20 5 DDBDMO CC[C@H](CO)[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353671090 411106388 /nfs/dbraw/zinc/10/63/88/411106388.db2.gz JMKGGUFHADQMEI-TZMCWYRMSA-N 1 1 304.350 1.778 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132503975 196260570 /nfs/dbraw/zinc/26/05/70/196260570.db2.gz BHGAEKZUNHXSMU-SNVBAGLBSA-N 1 1 307.325 1.948 20 5 DDBDMO C[NH+](C)C1(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000419005134 226002843 /nfs/dbraw/zinc/00/28/43/226002843.db2.gz FSLQBXUKZYUPTH-UHFFFAOYSA-N 1 1 319.408 1.566 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000368067867 418684481 /nfs/dbraw/zinc/68/44/81/418684481.db2.gz BSONQEBLQMMIQP-MNOVXSKESA-N 1 1 323.324 1.310 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364922016 418822227 /nfs/dbraw/zinc/82/22/27/418822227.db2.gz LUSBLPVFAFVWCZ-AWEZNQCLSA-N 1 1 307.394 1.792 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000365655246 418890152 /nfs/dbraw/zinc/89/01/52/418890152.db2.gz IHTQXHIZRLQKBK-KBUVRSHFSA-N 1 1 301.346 1.676 20 5 DDBDMO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344355 418894330 /nfs/dbraw/zinc/89/43/30/418894330.db2.gz JDFDCYLZUQBWII-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344355 418894332 /nfs/dbraw/zinc/89/43/32/418894332.db2.gz JDFDCYLZUQBWII-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO CN1C[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373216801 418932476 /nfs/dbraw/zinc/93/24/76/418932476.db2.gz BUQCUFAJBYETOA-ZDUSSCGKSA-N 1 1 320.349 1.025 20 5 DDBDMO CN1C[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373216801 418932477 /nfs/dbraw/zinc/93/24/77/418932477.db2.gz BUQCUFAJBYETOA-ZDUSSCGKSA-N 1 1 320.349 1.025 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936525 419371142 /nfs/dbraw/zinc/37/11/42/419371142.db2.gz ITWSWATYCPCXEL-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420936525 419371148 /nfs/dbraw/zinc/37/11/48/419371148.db2.gz ITWSWATYCPCXEL-DGCLKSJQSA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@H](O)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103858 419663526 /nfs/dbraw/zinc/66/35/26/419663526.db2.gz ZKUCPNWBEXUSAX-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H](O)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000412103858 419663536 /nfs/dbraw/zinc/66/35/36/419663536.db2.gz ZKUCPNWBEXUSAX-SMDDNHRTSA-N 1 1 323.349 1.005 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2cccc(C)[nH+]2)n1 ZINC000427836595 419748006 /nfs/dbraw/zinc/74/80/06/419748006.db2.gz DCFIMQSTHFTQTL-UHFFFAOYSA-N 1 1 318.337 1.357 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)nc1 ZINC000438096548 420439865 /nfs/dbraw/zinc/43/98/65/420439865.db2.gz OWDGXCZLZIKYRK-STQMWFEESA-N 1 1 306.366 1.903 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000439162719 420482610 /nfs/dbraw/zinc/48/26/10/420482610.db2.gz ZUOPFRSNRSMDFD-NSHDSACASA-N 1 1 306.366 1.980 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457097815 420612595 /nfs/dbraw/zinc/61/25/95/420612595.db2.gz LDOXRAZDETWXRL-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457097815 420612599 /nfs/dbraw/zinc/61/25/99/420612599.db2.gz LDOXRAZDETWXRL-CYBMUJFWSA-N 1 1 321.377 1.052 20 5 DDBDMO CC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000493700483 420919160 /nfs/dbraw/zinc/91/91/60/420919160.db2.gz XREIQTVPRSKORQ-AGLBCWCQSA-N 1 1 307.325 1.958 20 5 DDBDMO CC(C)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1C ZINC000487084096 421001383 /nfs/dbraw/zinc/00/13/83/421001383.db2.gz JDARCFMHSUJSTC-LLVKDONJSA-N 1 1 304.354 1.414 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456073877 421095758 /nfs/dbraw/zinc/09/57/58/421095758.db2.gz WROIMGZXRBGFMR-NSHDSACASA-N 1 1 323.397 1.882 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000488721174 421108414 /nfs/dbraw/zinc/10/84/14/421108414.db2.gz RNJVJSBHPMSJNV-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000545398077 421258217 /nfs/dbraw/zinc/25/82/17/421258217.db2.gz VVKUQCMDSUHHOO-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000545398077 421258221 /nfs/dbraw/zinc/25/82/21/421258221.db2.gz VVKUQCMDSUHHOO-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000546104472 421285454 /nfs/dbraw/zinc/28/54/54/421285454.db2.gz KHFGXGRUUMSMHX-ZFWWWQNUSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000516490537 421548246 /nfs/dbraw/zinc/54/82/46/421548246.db2.gz TYMIBVISCYULJZ-NSHDSACASA-N 1 1 321.381 1.422 20 5 DDBDMO CC(=O)NCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000563883721 421552188 /nfs/dbraw/zinc/55/21/88/421552188.db2.gz WBKNKDCSKNYUIX-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000553544880 421619329 /nfs/dbraw/zinc/61/93/29/421619329.db2.gz OKQUGQJDPCUPAD-VIFPVBQESA-N 1 1 303.322 1.751 20 5 DDBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570826066 421672172 /nfs/dbraw/zinc/67/21/72/421672172.db2.gz YPRAOLZBOGRWJA-LLVKDONJSA-N 1 1 323.397 1.948 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537814621 421736553 /nfs/dbraw/zinc/73/65/53/421736553.db2.gz FXYBWTMIMGMJGL-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537814621 421736556 /nfs/dbraw/zinc/73/65/56/421736556.db2.gz FXYBWTMIMGMJGL-NXEZZACHSA-N 1 1 321.333 1.488 20 5 DDBDMO Nc1ccc(NCCc2cn3c([nH+]2)CCCC3)nc1[N+](=O)[O-] ZINC000596072442 422361603 /nfs/dbraw/zinc/36/16/03/422361603.db2.gz ARDKPMMHLBEXHH-UHFFFAOYSA-N 1 1 302.338 1.759 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000599199229 422404438 /nfs/dbraw/zinc/40/44/38/422404438.db2.gz HNEOJGJYVNLVJP-ZDUSSCGKSA-N 1 1 302.334 1.622 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000578160504 422513172 /nfs/dbraw/zinc/51/31/72/422513172.db2.gz LUMBCZVYLRHWHR-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO COC(=O)[C@@](C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000343997907 271928701 /nfs/dbraw/zinc/92/87/01/271928701.db2.gz YDNUFDCETJTWJP-HNNXBMFYSA-N 1 1 310.350 1.729 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345916004 272364605 /nfs/dbraw/zinc/36/46/05/272364605.db2.gz YZAZCAXIQRZOND-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340904202 274118731 /nfs/dbraw/zinc/11/87/31/274118731.db2.gz JAGOJEHLMOKFGU-PWSUYJOCSA-N 1 1 323.349 1.387 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCNC1 ZINC000414866949 274206549 /nfs/dbraw/zinc/20/65/49/274206549.db2.gz NMYSGJYNAAXFHI-WCQYABFASA-N 1 1 306.366 1.654 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000072058747 275036267 /nfs/dbraw/zinc/03/62/67/275036267.db2.gz AMZZIGQNXZTESX-UHFFFAOYSA-N 1 1 310.310 1.007 20 5 DDBDMO CC[N@H+]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000287531620 276165392 /nfs/dbraw/zinc/16/53/92/276165392.db2.gz VQDKRMKFBRJXRO-UHFFFAOYSA-N 1 1 322.365 1.617 20 5 DDBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440863780 278959939 /nfs/dbraw/zinc/95/99/39/278959939.db2.gz VMFGLLXWTIUWPC-VIFPVBQESA-N 1 1 319.408 1.419 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000416332062 280187116 /nfs/dbraw/zinc/18/71/16/280187116.db2.gz FEGAFSBDOIODMP-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362072670 300000534 /nfs/dbraw/zinc/00/05/34/300000534.db2.gz PLYQHHQFKHGCMC-VXGBXAGGSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362072670 300000535 /nfs/dbraw/zinc/00/05/35/300000535.db2.gz PLYQHHQFKHGCMC-VXGBXAGGSA-N 1 1 307.350 1.402 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363443246 300268661 /nfs/dbraw/zinc/26/86/61/300268661.db2.gz VLECRNJRYZBLGQ-UHFFFAOYSA-N 1 1 309.370 1.044 20 5 DDBDMO COCC[C@@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000364151086 300350733 /nfs/dbraw/zinc/35/07/33/300350733.db2.gz QEMYKPZMODIEJV-AWEZNQCLSA-N 1 1 323.393 1.895 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C[C@H]21 ZINC000364307976 300373065 /nfs/dbraw/zinc/37/30/65/300373065.db2.gz NTTLXUNWYNSWHL-QMTHXVAHSA-N 1 1 304.350 1.343 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976930 301116168 /nfs/dbraw/zinc/11/61/68/301116168.db2.gz ZVOQIXYJCRFJCJ-MYPMTAMASA-N 1 1 319.361 1.214 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000370299638 301312104 /nfs/dbraw/zinc/31/21/04/301312104.db2.gz UKGHVHIJPVJIKN-GXTWGEPZSA-N 1 1 305.334 1.305 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000370299638 301312107 /nfs/dbraw/zinc/31/21/07/301312107.db2.gz UKGHVHIJPVJIKN-GXTWGEPZSA-N 1 1 305.334 1.305 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCOC[C@@H]4C3)ccc2c1 ZINC000375849084 302003693 /nfs/dbraw/zinc/00/36/93/302003693.db2.gz PCJDFWMIXQZISL-AWEZNQCLSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4CCOC[C@@H]4C3)ccc2c1 ZINC000375849084 302003697 /nfs/dbraw/zinc/00/36/97/302003697.db2.gz PCJDFWMIXQZISL-AWEZNQCLSA-N 1 1 314.345 1.664 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000377717984 302218335 /nfs/dbraw/zinc/21/83/35/302218335.db2.gz CWZIFSXAVOLACA-WFASDCNBSA-N 1 1 319.361 1.432 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000378015724 302263746 /nfs/dbraw/zinc/26/37/46/302263746.db2.gz ZZMDDGDRRDBWTA-ZDUSSCGKSA-N 1 1 321.377 1.652 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530963065 303222759 /nfs/dbraw/zinc/22/27/59/303222759.db2.gz BJBIZILWCHPDFY-DZGCQCFKSA-N 1 1 317.349 1.384 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)CC2 ZINC000364965702 307055033 /nfs/dbraw/zinc/05/50/33/307055033.db2.gz ZLNCKMGKICEEFN-UHFFFAOYSA-N 1 1 318.377 1.877 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000365027813 307056848 /nfs/dbraw/zinc/05/68/48/307056848.db2.gz QLAGKGYJYZPBFP-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000365027813 307056849 /nfs/dbraw/zinc/05/68/49/307056849.db2.gz QLAGKGYJYZPBFP-ZDUSSCGKSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)n2)c1 ZINC000366408810 307072735 /nfs/dbraw/zinc/07/27/35/307072735.db2.gz UXLYHNTXGGMQNO-ITGUQSILSA-N 1 1 316.317 1.315 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)n2)c1 ZINC000366408810 307072736 /nfs/dbraw/zinc/07/27/36/307072736.db2.gz UXLYHNTXGGMQNO-ITGUQSILSA-N 1 1 316.317 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000366655090 307078662 /nfs/dbraw/zinc/07/86/62/307078662.db2.gz PPHGCWNJCJYTCS-ZIAGYGMSSA-N 1 1 322.361 1.759 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000369503199 307122293 /nfs/dbraw/zinc/12/22/93/307122293.db2.gz JFXSERHBLDDAIU-SNVBAGLBSA-N 1 1 312.395 1.741 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000371511974 307151903 /nfs/dbraw/zinc/15/19/03/307151903.db2.gz ULRSRLPAANYTGF-CHWSQXEVSA-N 1 1 319.361 1.960 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000371892910 307159564 /nfs/dbraw/zinc/15/95/64/307159564.db2.gz BOZOJJHHZZXAGI-CHWSQXEVSA-N 1 1 307.354 1.440 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000376758804 307256012 /nfs/dbraw/zinc/25/60/12/307256012.db2.gz RDCMYEFBKLYAIQ-OAHLLOKOSA-N 1 1 321.377 1.316 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000376758804 307256013 /nfs/dbraw/zinc/25/60/13/307256013.db2.gz RDCMYEFBKLYAIQ-OAHLLOKOSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773012 308201789 /nfs/dbraw/zinc/20/17/89/308201789.db2.gz VNCBMWOVCGFFFK-NEPJUHHUSA-N 1 1 306.366 1.735 20 5 DDBDMO C[C@@H]1Cc2[nH+]cn(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)c2C[C@@H]1C ZINC000295067198 534089367 /nfs/dbraw/zinc/08/93/67/534089367.db2.gz CGWUPRPRYITLLO-NTZNESFSSA-N 1 1 319.365 1.420 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3cn[nH]c3)C2)nc1 ZINC000459386770 534882534 /nfs/dbraw/zinc/88/25/34/534882534.db2.gz YOMQYNYVMYDKKM-GFCCVEGCSA-N 1 1 302.338 1.442 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452185429 529053621 /nfs/dbraw/zinc/05/36/21/529053621.db2.gz NBUIFTVNQIRBAI-WFASDCNBSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000452185429 529053625 /nfs/dbraw/zinc/05/36/25/529053625.db2.gz NBUIFTVNQIRBAI-WFASDCNBSA-N 1 1 321.377 1.881 20 5 DDBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820665055 599589604 /nfs/dbraw/zinc/58/96/04/599589604.db2.gz DLEOMGJHWNNZIY-IUCAKERBSA-N 1 1 318.341 1.065 20 5 DDBDMO Nc1ccc(C(=O)OCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000127495947 696771970 /nfs/dbraw/zinc/77/19/70/696771970.db2.gz QPHVPSOPDDDUFZ-UHFFFAOYSA-N 1 1 311.363 1.383 20 5 DDBDMO Cc1nn(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000129289398 696787557 /nfs/dbraw/zinc/78/75/57/696787557.db2.gz UDZUMXOGBZWUGH-KBPBESRZSA-N 1 1 307.398 1.782 20 5 DDBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151172118 696881501 /nfs/dbraw/zinc/88/15/01/696881501.db2.gz RSLRKVPRTCOULR-PHIMTYICSA-N 1 1 315.329 1.880 20 5 DDBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000151172118 696881505 /nfs/dbraw/zinc/88/15/05/696881505.db2.gz RSLRKVPRTCOULR-PHIMTYICSA-N 1 1 315.329 1.880 20 5 DDBDMO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983653548 697286650 /nfs/dbraw/zinc/28/66/50/697286650.db2.gz JOFCXFFDXUKZRG-DTZQCDIJSA-N 1 1 317.389 1.645 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000773196438 697726609 /nfs/dbraw/zinc/72/66/09/697726609.db2.gz FFSIYVXBEIUUTA-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO COC[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749953538 700194425 /nfs/dbraw/zinc/19/44/25/700194425.db2.gz NSGWZSLPCRKACA-LBPRGKRZSA-N 1 1 319.365 1.964 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000776591752 698123785 /nfs/dbraw/zinc/12/37/85/698123785.db2.gz WMRATURRMVCFQH-OFQRWUPVSA-N 1 1 306.362 1.987 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782618723 698752032 /nfs/dbraw/zinc/75/20/32/698752032.db2.gz OKBGYCILPRLILP-ZUZCIYMTSA-N 1 1 323.324 1.377 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782619983 698752282 /nfs/dbraw/zinc/75/22/82/698752282.db2.gz JSTZMLFAKSQFSG-ABAIWWIYSA-N 1 1 308.334 1.296 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000786190891 699133241 /nfs/dbraw/zinc/13/32/41/699133241.db2.gz OOXHKPMGVAPKSV-HUUCEWRRSA-N 1 1 310.350 1.366 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329728 699206693 /nfs/dbraw/zinc/20/66/93/699206693.db2.gz DEYFIXNZNRPAFU-RZFFKMDDSA-N 1 1 319.361 1.214 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000726195390 699353410 /nfs/dbraw/zinc/35/34/10/699353410.db2.gz XUAJCPQLYVEDKX-UHFFFAOYSA-N 1 1 319.365 1.401 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CC1 ZINC000790533072 699465673 /nfs/dbraw/zinc/46/56/73/699465673.db2.gz JLZRTUIPDDUMDO-RNCFNFMXSA-N 1 1 318.337 1.300 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCO)CC3)sc2c1 ZINC000729629827 699483947 /nfs/dbraw/zinc/48/39/47/699483947.db2.gz FSQPXWHHNDNHTG-UHFFFAOYSA-N 1 1 308.363 1.319 20 5 DDBDMO C[C@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000738160285 699754449 /nfs/dbraw/zinc/75/44/49/699754449.db2.gz HVFGNZWCUCCIQJ-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@H]1C[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000738160285 699754450 /nfs/dbraw/zinc/75/44/50/699754450.db2.gz HVFGNZWCUCCIQJ-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000794927325 699836269 /nfs/dbraw/zinc/83/62/69/699836269.db2.gz FLOBUBRMYNCKKV-BXUZGUMPSA-N 1 1 306.322 1.639 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000794970692 699838937 /nfs/dbraw/zinc/83/89/37/699838937.db2.gz MQSLBPVVAJCPMQ-JYAVWHMHSA-N 1 1 320.345 1.844 20 5 DDBDMO CCOc1cc(C[N@@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000794970692 699838939 /nfs/dbraw/zinc/83/89/39/699838939.db2.gz MQSLBPVVAJCPMQ-JYAVWHMHSA-N 1 1 320.345 1.844 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000742240120 699869511 /nfs/dbraw/zinc/86/95/11/699869511.db2.gz IXCMNUAFRWCGJD-SECBINFHSA-N 1 1 310.329 1.530 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000742240124 699869524 /nfs/dbraw/zinc/86/95/24/699869524.db2.gz IXCMNUAFRWCGJD-VIFPVBQESA-N 1 1 310.329 1.530 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000796255363 699921963 /nfs/dbraw/zinc/92/19/63/699921963.db2.gz QGFGJPKFWHGKDS-UHFFFAOYSA-N 1 1 307.310 1.803 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000752629464 700376226 /nfs/dbraw/zinc/37/62/26/700376226.db2.gz CTAUHHGSRROPHS-UHFFFAOYSA-N 1 1 308.294 1.247 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@H](C)C1 ZINC000761077091 700840233 /nfs/dbraw/zinc/84/02/33/700840233.db2.gz MWUKMYPUXFOCSA-NEPJUHHUSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000761079871 700841452 /nfs/dbraw/zinc/84/14/52/700841452.db2.gz GPUVVQXMODBGQH-LBPRGKRZSA-N 1 1 318.377 1.120 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699020 701788457 /nfs/dbraw/zinc/78/84/57/701788457.db2.gz UURHDVPYWKHEFK-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699020 701788461 /nfs/dbraw/zinc/78/84/61/701788461.db2.gz UURHDVPYWKHEFK-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699020 701788463 /nfs/dbraw/zinc/78/84/63/701788463.db2.gz UURHDVPYWKHEFK-DTZQCDIJSA-N 1 1 317.389 1.678 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840092782 701965496 /nfs/dbraw/zinc/96/54/96/701965496.db2.gz XVAMOJCBFBQMRG-NSHDSACASA-N 1 1 320.349 1.486 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000840137519 701990510 /nfs/dbraw/zinc/99/05/10/701990510.db2.gz ITARNXSDURWLKY-OCCSQVGLSA-N 1 1 322.365 1.756 20 5 DDBDMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000840137519 701990514 /nfs/dbraw/zinc/99/05/14/701990514.db2.gz ITARNXSDURWLKY-OCCSQVGLSA-N 1 1 322.365 1.756 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000868581668 702210429 /nfs/dbraw/zinc/21/04/29/702210429.db2.gz SSMUTLFIKUGWRH-PHIMTYICSA-N 1 1 309.341 1.827 20 5 DDBDMO CC(C)(CCc1noc([C@H]2CCn3c[nH+]cc3C2)n1)[N+](=O)[O-] ZINC000812812492 702246861 /nfs/dbraw/zinc/24/68/61/702246861.db2.gz JMVCBWFGYHVNQN-JTQLQIEISA-N 1 1 305.338 1.984 20 5 DDBDMO COC(=O)[C@]12C[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C[C@H]1CCCC2 ZINC000848490429 703556981 /nfs/dbraw/zinc/55/69/81/703556981.db2.gz GLNDEFORXALMKR-IUODEOHRSA-N 1 1 322.365 1.722 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C[C@H]1CCCC2 ZINC000848490429 703556983 /nfs/dbraw/zinc/55/69/83/703556983.db2.gz GLNDEFORXALMKR-IUODEOHRSA-N 1 1 322.365 1.722 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CCN(c2[nH+]ccn2C)CC1 ZINC000848666122 703573512 /nfs/dbraw/zinc/57/35/12/703573512.db2.gz XBZHSCRCEWKKKC-UHFFFAOYSA-N 1 1 317.349 1.664 20 5 DDBDMO CC1(C)OC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000851724456 703837319 /nfs/dbraw/zinc/83/73/19/703837319.db2.gz XHCPNCGOJRCJPO-CYBMUJFWSA-N 1 1 321.377 1.868 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000852432326 704044530 /nfs/dbraw/zinc/04/45/30/704044530.db2.gz MKNMLJLGZXXXBW-GFCCVEGCSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1[N+](=O)[O-] ZINC000852432326 704044533 /nfs/dbraw/zinc/04/45/33/704044533.db2.gz MKNMLJLGZXXXBW-GFCCVEGCSA-N 1 1 321.333 1.630 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852431657 704045075 /nfs/dbraw/zinc/04/50/75/704045075.db2.gz JHGUHQFHJGPZCJ-CYBMUJFWSA-N 1 1 305.334 1.930 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852569332 704076812 /nfs/dbraw/zinc/07/68/12/704076812.db2.gz NJJDAAWLYLGWCZ-ZDUSSCGKSA-N 1 1 311.338 1.258 20 5 DDBDMO CO[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000870927745 704171613 /nfs/dbraw/zinc/17/16/13/704171613.db2.gz FHAFOIOVYGIODF-DJSGYFEHSA-N 1 1 321.377 1.652 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871154940 704232206 /nfs/dbraw/zinc/23/22/06/704232206.db2.gz KVUNPHCWPHSDOF-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871154940 704232209 /nfs/dbraw/zinc/23/22/09/704232209.db2.gz KVUNPHCWPHSDOF-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153056 704232511 /nfs/dbraw/zinc/23/25/11/704232511.db2.gz DOOZUKHONCKKGV-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153056 704232514 /nfs/dbraw/zinc/23/25/14/704232514.db2.gz DOOZUKHONCKKGV-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153056 704232515 /nfs/dbraw/zinc/23/25/15/704232515.db2.gz DOOZUKHONCKKGV-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832783685 706983425 /nfs/dbraw/zinc/98/34/25/706983425.db2.gz SYZGQGGXXKCBNZ-NSHDSACASA-N 1 1 324.337 1.001 20 5 DDBDMO CC(C)(CCC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[N+](=O)[O-] ZINC000822956240 705093223 /nfs/dbraw/zinc/09/32/23/705093223.db2.gz OYNMACOTAKKROO-UHFFFAOYSA-N 1 1 301.387 1.049 20 5 DDBDMO CC(C)(CCC(=O)NCC[N@H+]1CCOC(C)(C)C1)[N+](=O)[O-] ZINC000822956240 705093226 /nfs/dbraw/zinc/09/32/26/705093226.db2.gz OYNMACOTAKKROO-UHFFFAOYSA-N 1 1 301.387 1.049 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000860160359 705118797 /nfs/dbraw/zinc/11/87/97/705118797.db2.gz RVJMZBSCUCYMLD-PSASIEDQSA-N 1 1 303.274 1.341 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]12 ZINC000860160359 705118801 /nfs/dbraw/zinc/11/88/01/705118801.db2.gz RVJMZBSCUCYMLD-PSASIEDQSA-N 1 1 303.274 1.341 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839116 705194994 /nfs/dbraw/zinc/19/49/94/705194994.db2.gz TUIMWCDHTLGSAI-CHWSQXEVSA-N 1 1 318.377 1.794 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842037 705196950 /nfs/dbraw/zinc/19/69/50/705196950.db2.gz ZNFYMKGSWSYDER-MNOVXSKESA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842037 705196952 /nfs/dbraw/zinc/19/69/52/705196952.db2.gz ZNFYMKGSWSYDER-MNOVXSKESA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842037 705196954 /nfs/dbraw/zinc/19/69/54/705196954.db2.gz ZNFYMKGSWSYDER-MNOVXSKESA-N 1 1 307.354 1.189 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000874843459 705198561 /nfs/dbraw/zinc/19/85/61/705198561.db2.gz NMZLDTOULMOHFI-LSDHHAIUSA-N 1 1 318.377 1.702 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000874850679 705202992 /nfs/dbraw/zinc/20/29/92/705202992.db2.gz VUUDOEHAABRUPN-GJZGRUSLSA-N 1 1 303.362 1.832 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823933805 705341892 /nfs/dbraw/zinc/34/18/92/705341892.db2.gz WSPGPHDGCGSROW-NSHDSACASA-N 1 1 307.354 1.735 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968265 705346907 /nfs/dbraw/zinc/34/69/07/705346907.db2.gz NHIWTVYXONFKSY-CQSZACIVSA-N 1 1 321.381 1.981 20 5 DDBDMO CCOc1cc(C(=O)OCC[NH+]2CCC2)c([N+](=O)[O-])cc1OC ZINC000861385920 705453329 /nfs/dbraw/zinc/45/33/29/705453329.db2.gz DZKOWLPMXQQDAN-UHFFFAOYSA-N 1 1 324.333 1.865 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827363508 705985598 /nfs/dbraw/zinc/98/55/98/705985598.db2.gz BBEAWCZSVYSKJX-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000827491089 706013080 /nfs/dbraw/zinc/01/30/80/706013080.db2.gz LXTGZYALLQDBLD-CQSZACIVSA-N 1 1 324.356 1.728 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc4cncn4c3)C2)c1 ZINC000877584017 706149697 /nfs/dbraw/zinc/14/96/97/706149697.db2.gz NUTWMILGPZYJBL-UHFFFAOYSA-N 1 1 312.333 1.932 20 5 DDBDMO CC1(C)C[C@@H](O)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877754131 706199917 /nfs/dbraw/zinc/19/99/17/706199917.db2.gz WTMBMXUPXRUMFQ-GFCCVEGCSA-N 1 1 322.361 1.959 20 5 DDBDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877754131 706199918 /nfs/dbraw/zinc/19/99/18/706199918.db2.gz WTMBMXUPXRUMFQ-GFCCVEGCSA-N 1 1 322.361 1.959 20 5 DDBDMO COCC[N@@H+](C)CCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865443260 706432663 /nfs/dbraw/zinc/43/26/63/706432663.db2.gz WQIZFENPLDEWOC-UHFFFAOYSA-N 1 1 315.345 1.606 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865619160 706479334 /nfs/dbraw/zinc/47/93/34/706479334.db2.gz DCRQJOJEMOCCMO-UHFFFAOYSA-N 1 1 309.341 1.831 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000880442928 706978109 /nfs/dbraw/zinc/97/81/09/706978109.db2.gz YGCZCILROIFFOZ-MRVWCRGKSA-N 1 1 310.350 1.180 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000882959840 707873957 /nfs/dbraw/zinc/87/39/57/707873957.db2.gz RSHDPONSCPBRBF-GFCCVEGCSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000882961266 707874515 /nfs/dbraw/zinc/87/45/15/707874515.db2.gz JPTJIVQCRWTBJW-CYBMUJFWSA-N 1 1 318.377 1.993 20 5 DDBDMO Nc1c(F)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221447 708259507 /nfs/dbraw/zinc/25/95/07/708259507.db2.gz NBLFYSJHYRECOP-GHMZBOCLSA-N 1 1 324.356 1.352 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)C[C@@H]3CCCO3)c2c1 ZINC000884614249 708339145 /nfs/dbraw/zinc/33/91/45/708339145.db2.gz IITSMZHKAPYOBM-YPMHNXCESA-N 1 1 317.345 1.907 20 5 DDBDMO C[N@@H+](CCO)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000884826289 708388681 /nfs/dbraw/zinc/38/86/81/708388681.db2.gz VIAUHOMUVUYBJB-UHFFFAOYSA-N 1 1 318.171 1.693 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886067792 708691777 /nfs/dbraw/zinc/69/17/77/708691777.db2.gz OXGMZINZUUOLIQ-OAHLLOKOSA-N 1 1 319.409 1.202 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939236 709173563 /nfs/dbraw/zinc/17/35/63/709173563.db2.gz WFWNGMVHAINJTE-CJNGLKHVSA-N 1 1 303.362 1.547 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099388 713129903 /nfs/dbraw/zinc/12/99/03/713129903.db2.gz JTYUCHPVIXRPDE-UWVGGRQHSA-N 1 1 311.363 1.497 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099388 713129905 /nfs/dbraw/zinc/12/99/05/713129905.db2.gz JTYUCHPVIXRPDE-UWVGGRQHSA-N 1 1 311.363 1.497 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099390 713130126 /nfs/dbraw/zinc/13/01/26/713130126.db2.gz JTYUCHPVIXRPDE-ZJUUUORDSA-N 1 1 311.363 1.497 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099390 713130127 /nfs/dbraw/zinc/13/01/27/713130127.db2.gz JTYUCHPVIXRPDE-ZJUUUORDSA-N 1 1 311.363 1.497 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CCN(c2[nH+]ccn2C)CC1 ZINC000892606418 710468118 /nfs/dbraw/zinc/46/81/18/710468118.db2.gz AQNRMSAMYWZGCW-UHFFFAOYSA-N 1 1 318.337 1.059 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000928444790 713198904 /nfs/dbraw/zinc/19/89/04/713198904.db2.gz MLGGHNJTRINTNB-ONGXEEELSA-N 1 1 302.334 1.899 20 5 DDBDMO CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000893872774 710867033 /nfs/dbraw/zinc/86/70/33/710867033.db2.gz VFTKPFOEBANLGB-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000928564230 713229610 /nfs/dbraw/zinc/22/96/10/713229610.db2.gz VOBQATULNRAPTI-CYBMUJFWSA-N 1 1 302.334 1.370 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000894915138 711317704 /nfs/dbraw/zinc/31/77/04/711317704.db2.gz IYKPQGYRUBQHRV-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000895249499 711465781 /nfs/dbraw/zinc/46/57/81/711465781.db2.gz UVQBBJUJDQHKMM-RNCFNFMXSA-N 1 1 314.336 1.919 20 5 DDBDMO CN1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770302 711601396 /nfs/dbraw/zinc/60/13/96/711601396.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 1 1 320.397 1.222 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000905089701 711932875 /nfs/dbraw/zinc/93/28/75/711932875.db2.gz MLIKYRBONMPNMY-UHFFFAOYSA-N 1 1 320.393 1.644 20 5 DDBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930032438 713739910 /nfs/dbraw/zinc/73/99/10/713739910.db2.gz QMTPTTGFHXABAF-RYUDHWBXSA-N 1 1 301.387 1.888 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930100364 713756577 /nfs/dbraw/zinc/75/65/77/713756577.db2.gz SVKMPGIGTSXUDK-XEZPLFJOSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]3COC[C@@H]3O1)C2 ZINC000930100364 713756578 /nfs/dbraw/zinc/75/65/78/713756578.db2.gz SVKMPGIGTSXUDK-XEZPLFJOSA-N 1 1 304.346 1.757 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000921420069 713764986 /nfs/dbraw/zinc/76/49/86/713764986.db2.gz SOGXMXMXETZVPT-LLVKDONJSA-N 1 1 312.757 1.752 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704871 714165565 /nfs/dbraw/zinc/16/55/65/714165565.db2.gz RZYPANHCMONAFE-DOTOQJQBSA-N 1 1 319.405 1.629 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348339 714315721 /nfs/dbraw/zinc/31/57/21/714315721.db2.gz MVJBYCKZTWJVDC-JSGCOSHPSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[NH2+]CC[C@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923368374 714330084 /nfs/dbraw/zinc/33/00/84/714330084.db2.gz BHEBWAGJXUODRC-UKRRQHHQSA-N 1 1 323.393 1.312 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933560408 714617360 /nfs/dbraw/zinc/61/73/60/714617360.db2.gz UWINTAAYUBDXEA-BYCMXARLSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933560408 714617362 /nfs/dbraw/zinc/61/73/62/714617362.db2.gz UWINTAAYUBDXEA-BYCMXARLSA-N 1 1 303.362 1.861 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933972246 714711873 /nfs/dbraw/zinc/71/18/73/714711873.db2.gz WBELVHXENXWVSD-LSDHHAIUSA-N 1 1 308.334 1.463 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933972246 714711875 /nfs/dbraw/zinc/71/18/75/714711875.db2.gz WBELVHXENXWVSD-LSDHHAIUSA-N 1 1 308.334 1.463 20 5 DDBDMO C/C(=C\C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000924982052 714714916 /nfs/dbraw/zinc/71/49/16/714714916.db2.gz OPLBNAWKSQZRGY-PFYGFVOHSA-N 1 1 319.361 1.179 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2CC2CCOCC2)n1 ZINC000934640931 714868397 /nfs/dbraw/zinc/86/83/97/714868397.db2.gz JLJPLGBFLJGHSJ-AWEZNQCLSA-N 1 1 324.381 1.309 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2CC2CCOCC2)n1 ZINC000934640931 714868400 /nfs/dbraw/zinc/86/84/00/714868400.db2.gz JLJPLGBFLJGHSJ-AWEZNQCLSA-N 1 1 324.381 1.309 20 5 DDBDMO COc1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164773987 721286058 /nfs/dbraw/zinc/28/60/58/721286058.db2.gz VGILHUZKWZYALY-UHFFFAOYSA-N 1 1 318.377 1.921 20 5 DDBDMO COc1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC001165040131 721907920 /nfs/dbraw/zinc/90/79/20/721907920.db2.gz ZDUUPILCJQISNV-LBPRGKRZSA-N 1 1 322.365 1.299 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1cc2cccnc2c2ncccc12 ZINC001167359003 733291996 /nfs/dbraw/zinc/29/19/96/733291996.db2.gz GSCXBDBXNQJHSS-UHFFFAOYSA-N 1 1 302.341 1.907 20 5 DDBDMO CCCOc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936487 742841794 /nfs/dbraw/zinc/84/17/94/742841794.db2.gz KUOZPMFYYBVSGR-HUUCEWRRSA-N 1 1 321.377 1.346 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001181840549 743361482 /nfs/dbraw/zinc/36/14/82/743361482.db2.gz TYWKWVDNYWLXLJ-ZDUSSCGKSA-N 1 1 321.377 1.699 20 5 DDBDMO Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428427 749586086 /nfs/dbraw/zinc/58/60/86/749586086.db2.gz CKMCACLDZIUYRD-VXGBXAGGSA-N 1 1 324.406 1.197 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644453 750626262 /nfs/dbraw/zinc/62/62/62/750626262.db2.gz HCAUXOFNZHRTEC-KBUPBQIOSA-N 1 1 309.410 1.859 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022239 762200848 /nfs/dbraw/zinc/20/08/48/762200848.db2.gz RDIJWWVYPTYAHZ-IHRRRGAJSA-N 1 1 308.382 1.407 20 5 DDBDMO COC[C@H]1Cn2ccnc2C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169022239 762200851 /nfs/dbraw/zinc/20/08/51/762200851.db2.gz RDIJWWVYPTYAHZ-IHRRRGAJSA-N 1 1 308.382 1.407 20 5 DDBDMO O=C([C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCCC1 ZINC001169024993 762202507 /nfs/dbraw/zinc/20/25/07/762202507.db2.gz IKACOTZHJRNTKI-KKUMJFAQSA-N 1 1 309.410 1.909 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363736 761499717 /nfs/dbraw/zinc/49/97/17/761499717.db2.gz ICMUPYPDWRBNDT-KBUPBQIOSA-N 1 1 309.410 1.716 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCCNc1ncccc1[N+](=O)[O-] ZINC001109496377 763754983 /nfs/dbraw/zinc/75/49/83/763754983.db2.gz RQEIRQBWVSQSLM-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO CC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051289080 764717269 /nfs/dbraw/zinc/71/72/69/764717269.db2.gz CVKYGMBZUBQUMN-HUUCEWRRSA-N 1 1 303.362 1.346 20 5 DDBDMO CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051289080 764717276 /nfs/dbraw/zinc/71/72/76/764717276.db2.gz CVKYGMBZUBQUMN-HUUCEWRRSA-N 1 1 303.362 1.346 20 5 DDBDMO CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051289080 764717281 /nfs/dbraw/zinc/71/72/81/764717281.db2.gz CVKYGMBZUBQUMN-HUUCEWRRSA-N 1 1 303.362 1.346 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170344930 766276877 /nfs/dbraw/zinc/27/68/77/766276877.db2.gz FRPPPTBOEXJNFB-NSHDSACASA-N 1 1 309.366 1.554 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170344930 766276880 /nfs/dbraw/zinc/27/68/80/766276880.db2.gz FRPPPTBOEXJNFB-NSHDSACASA-N 1 1 309.366 1.554 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170352041 766279977 /nfs/dbraw/zinc/27/99/77/766279977.db2.gz KFWLEMIZZBISDF-LBPRGKRZSA-N 1 1 323.393 1.945 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC001094574362 776049919 /nfs/dbraw/zinc/04/99/19/776049919.db2.gz VDORCKLAYBTALG-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](O)[C@H](CO)C1)CC2 ZINC001172903302 776915944 /nfs/dbraw/zinc/91/59/44/776915944.db2.gz GNVMATFAQXNDJV-UXLLHSPISA-N 1 1 320.389 1.517 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H](O)C[C@@H]1CO)CC2 ZINC001172908885 776917993 /nfs/dbraw/zinc/91/79/93/776917993.db2.gz AZJVLYNMDYOMSZ-NUEKZKHPSA-N 1 1 306.362 1.270 20 5 DDBDMO C[C@@H]1CNC(=O)C[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921359 776930893 /nfs/dbraw/zinc/93/08/93/776930893.db2.gz PENWSIJRWAQTDV-RISCZKNCSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H]1CNC(=O)C[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921359 776930896 /nfs/dbraw/zinc/93/08/96/776930896.db2.gz PENWSIJRWAQTDV-RISCZKNCSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001173235435 777064418 /nfs/dbraw/zinc/06/44/18/777064418.db2.gz WYJLKJHLROVBGX-CZUORRHYSA-N 1 1 319.405 1.931 20 5 DDBDMO CC(C)(C[NH2+]CCF)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540566 777231119 /nfs/dbraw/zinc/23/11/19/777231119.db2.gz JUOJAXBZMSPKCC-CHWSQXEVSA-N 1 1 315.389 1.476 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101704707 777415082 /nfs/dbraw/zinc/41/50/82/777415082.db2.gz XWFNQPSJONLTKV-UHFFFAOYSA-N 1 1 308.382 1.807 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101712982 777424599 /nfs/dbraw/zinc/42/45/99/777424599.db2.gz WATDPNYZBWRQRD-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001326449238 861379003 /nfs/dbraw/zinc/37/90/03/861379003.db2.gz KWFAHXZEXWGBQC-UHFFFAOYSA-N 1 1 307.398 1.158 20 5 DDBDMO C[N@H+]1CCC[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211877448 843253720 /nfs/dbraw/zinc/25/37/20/843253720.db2.gz PTLQFGAGJMKHNN-QMMMGPOBSA-N 1 1 307.285 1.988 20 5 DDBDMO CCc1noc(C)c1C[NH2+]CCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273376077 849739772 /nfs/dbraw/zinc/73/97/72/849739772.db2.gz UOQXSRQURCAUGR-BXUZGUMPSA-N 1 1 324.381 1.149 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119815 862099955 /nfs/dbraw/zinc/09/99/55/862099955.db2.gz LJLLJXDRMCAQIV-YMTOWFKASA-N 1 1 304.350 1.390 20 5 DDBDMO COc1c(C(=O)NCc2[nH]c(C)[nH+]c2C)cccc1[N+](=O)[O-] ZINC001156219646 862835909 /nfs/dbraw/zinc/83/59/09/862835909.db2.gz DEQQKEXIOUKOAA-UHFFFAOYSA-N 1 1 304.306 1.873 20 5 DDBDMO CN1C[C@H](Nc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CCC1=O ZINC001156566201 863153497 /nfs/dbraw/zinc/15/34/97/863153497.db2.gz CDZYXMQCYXICKT-NNNHXZLVSA-N 1 1 319.365 1.555 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157761048 864110843 /nfs/dbraw/zinc/11/08/43/864110843.db2.gz LCNUQFBIQUXXOU-HZPDHXFCSA-N 1 1 317.389 1.436 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001157767190 864117569 /nfs/dbraw/zinc/11/75/69/864117569.db2.gz IVONNWAVVPXBGZ-DGCLKSJQSA-N 1 1 311.769 1.601 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001159788836 865525921 /nfs/dbraw/zinc/52/59/21/865525921.db2.gz NFXLGNVGHWFWIO-JTQLQIEISA-N 1 1 310.745 1.627 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001225613013 881936867 /nfs/dbraw/zinc/93/68/67/881936867.db2.gz MVTCJSMYTBMPGM-SUHUHFCYSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001225613013 881936881 /nfs/dbraw/zinc/93/68/81/881936881.db2.gz MVTCJSMYTBMPGM-SUHUHFCYSA-N 1 1 306.318 1.786 20 5 DDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC001320080720 866458259 /nfs/dbraw/zinc/45/82/59/866458259.db2.gz LLIAVZGHETUNQD-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC001320080720 866458261 /nfs/dbraw/zinc/45/82/61/866458261.db2.gz LLIAVZGHETUNQD-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO Cn1c(Cl)cnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335888689 868598576 /nfs/dbraw/zinc/59/85/76/868598576.db2.gz APBCXGYEDGZYSM-NSHDSACASA-N 1 1 310.741 1.805 20 5 DDBDMO C[N@@H+](C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203939 869426897 /nfs/dbraw/zinc/42/68/97/869426897.db2.gz NSDUFRXZJPCZIO-SECBINFHSA-N 1 1 312.757 1.553 20 5 DDBDMO CC(=O)OC1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001166640731 870119917 /nfs/dbraw/zinc/11/99/17/870119917.db2.gz PFNXXDJEUAJFRB-SNAWJCMRSA-N 1 1 306.322 1.274 20 5 DDBDMO COC(=O)C1([NH3+])CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001166797289 870259253 /nfs/dbraw/zinc/25/92/53/870259253.db2.gz LPVYNDIVKHTAMA-UHFFFAOYSA-N 1 1 314.729 1.114 20 5 DDBDMO CC(C)(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC001308169392 871477684 /nfs/dbraw/zinc/47/76/84/871477684.db2.gz XQDKCRYCKLZLQH-CQSZACIVSA-N 1 1 323.393 1.894 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001308724958 871520501 /nfs/dbraw/zinc/52/05/01/871520501.db2.gz QGNFAWQSTJNTSN-HNNXBMFYSA-N 1 1 321.333 1.021 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1[N+](=O)[O-] ZINC001308724958 871520513 /nfs/dbraw/zinc/52/05/13/871520513.db2.gz QGNFAWQSTJNTSN-HNNXBMFYSA-N 1 1 321.333 1.021 20 5 DDBDMO C[C@@H](COC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001349655489 875284901 /nfs/dbraw/zinc/28/49/01/875284901.db2.gz LGGJMBHUOXXYHN-GFCCVEGCSA-N 1 1 308.334 1.720 20 5 DDBDMO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1C1CCCC1 ZINC001350602888 875781496 /nfs/dbraw/zinc/78/14/96/875781496.db2.gz KMWUVPJAOGBRKF-NSHDSACASA-N 1 1 321.381 1.417 20 5 DDBDMO Cc1nc(Cl)nc(O[C@@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001227339724 882975756 /nfs/dbraw/zinc/97/57/56/882975756.db2.gz JZTZNINDTISKMR-MRVPVSSYSA-N 1 1 309.713 1.937 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001355171688 878453322 /nfs/dbraw/zinc/45/33/22/878453322.db2.gz PIISSVFQHQWITE-CYZMBNFOSA-N 1 1 319.361 1.673 20 5 DDBDMO Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001355414530 878545170 /nfs/dbraw/zinc/54/51/70/878545170.db2.gz DMODSYDWSOJAMR-UHFFFAOYSA-N 1 1 320.353 1.514 20 5 DDBDMO COC(=O)[C@@H](O[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC001223644523 881039829 /nfs/dbraw/zinc/03/98/29/881039829.db2.gz VHJWCLKWPXEDKR-RISCZKNCSA-N 1 1 308.334 1.920 20 5 DDBDMO [NH2+]=C(NO)c1ccc(O[C@H](C[N+](=O)[O-])c2cccnc2)cc1F ZINC001229083097 883806050 /nfs/dbraw/zinc/80/60/50/883806050.db2.gz NFTAOELZNJEDTR-CYBMUJFWSA-N 1 1 320.280 1.922 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCN4CC[C@H]4C3)CC2)cc1 ZINC001254482425 896455958 /nfs/dbraw/zinc/45/59/58/896455958.db2.gz JBPJWJPOXQLQSU-KRWDZBQOSA-N 1 1 316.405 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N3CC[N@@H+]4CC[C@H]4C3)CC2)cc1 ZINC001254482425 896455967 /nfs/dbraw/zinc/45/59/67/896455967.db2.gz JBPJWJPOXQLQSU-KRWDZBQOSA-N 1 1 316.405 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N3CC[N@H+]4CC[C@H]4C3)CC2)cc1 ZINC001254482425 896455974 /nfs/dbraw/zinc/45/59/74/896455974.db2.gz JBPJWJPOXQLQSU-KRWDZBQOSA-N 1 1 316.405 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC([NH2+]C3COC3)C2)cc1OC(F)F ZINC001307219165 916604622 /nfs/dbraw/zinc/60/46/22/916604622.db2.gz JMVRPENEFPKJQG-UHFFFAOYSA-N 1 1 315.276 1.373 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272863352 210256950 /nfs/dbraw/zinc/25/69/50/210256950.db2.gz JIMZWWGCRGLIJB-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@H]1C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000305468892 231010482 /nfs/dbraw/zinc/01/04/82/231010482.db2.gz XNLXJZRPCSGMCY-AWEZNQCLSA-N 1 1 321.377 1.793 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)C2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000331308988 529465140 /nfs/dbraw/zinc/46/51/40/529465140.db2.gz YDBOCQGXGZNGIC-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072389 231290321 /nfs/dbraw/zinc/29/03/21/231290321.db2.gz WPPMAFWQJZSQIP-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072389 231290326 /nfs/dbraw/zinc/29/03/26/231290326.db2.gz WPPMAFWQJZSQIP-SUNKGSAMSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000292806247 529510242 /nfs/dbraw/zinc/51/02/42/529510242.db2.gz YVFBBPFKBIEZBG-LBPRGKRZSA-N 1 1 311.357 1.935 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc([N+](=O)[O-])c1 ZINC000452387952 231373713 /nfs/dbraw/zinc/37/37/13/231373713.db2.gz INKLOVAZSYYTNM-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(N)=O ZINC000286593031 219071310 /nfs/dbraw/zinc/07/13/10/219071310.db2.gz VZIKMMHKDZNGJH-UHFFFAOYSA-N 1 1 308.338 1.039 20 5 DDBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000451774891 529984483 /nfs/dbraw/zinc/98/44/83/529984483.db2.gz CBFYXXULPDIKRG-ZDUSSCGKSA-N 1 1 323.393 1.923 20 5 DDBDMO CCn1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000616786193 362818781 /nfs/dbraw/zinc/81/87/81/362818781.db2.gz NXBYJUKGJFPNBT-CQSZACIVSA-N 1 1 307.354 1.106 20 5 DDBDMO CN(C(=O)C[N@@H+]1C[C@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000279783862 215143580 /nfs/dbraw/zinc/14/35/80/215143580.db2.gz NUELTBOJYZHJQD-ZDUSSCGKSA-N 1 1 307.350 1.260 20 5 DDBDMO CN(C(=O)C[N@H+]1C[C@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000279783862 215143583 /nfs/dbraw/zinc/14/35/83/215143583.db2.gz NUELTBOJYZHJQD-ZDUSSCGKSA-N 1 1 307.350 1.260 20 5 DDBDMO C[NH+](C)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCCC1 ZINC000331417465 233394405 /nfs/dbraw/zinc/39/44/05/233394405.db2.gz AMZZKEAWLKYFPT-UHFFFAOYSA-N 1 1 309.370 1.702 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287519228 282749097 /nfs/dbraw/zinc/74/90/97/282749097.db2.gz ZUJGDFAEJSVACT-UHFFFAOYSA-N 1 1 305.313 1.794 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000617353072 363066875 /nfs/dbraw/zinc/06/68/75/363066875.db2.gz USZZUBHCSOQZES-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000026342619 352207851 /nfs/dbraw/zinc/20/78/51/352207851.db2.gz JVKGOCHMARDGOO-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C)C1 ZINC000026342619 352207852 /nfs/dbraw/zinc/20/78/52/352207852.db2.gz JVKGOCHMARDGOO-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000355622237 290952132 /nfs/dbraw/zinc/95/21/32/290952132.db2.gz AZXGTCDGFBZNGD-UHFFFAOYSA-N 1 1 318.333 1.617 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000028922237 352233658 /nfs/dbraw/zinc/23/36/58/352233658.db2.gz HGEKGTVOQDGRMY-OUCADQQQSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000028922237 352233660 /nfs/dbraw/zinc/23/36/60/352233660.db2.gz HGEKGTVOQDGRMY-OUCADQQQSA-N 1 1 310.350 1.444 20 5 DDBDMO CN1CCN(C(C)(C)C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037562654 352297027 /nfs/dbraw/zinc/29/70/27/352297027.db2.gz GDBYNOGGXZUDOS-UHFFFAOYSA-N 1 1 312.439 1.772 20 5 DDBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC000051590471 352590193 /nfs/dbraw/zinc/59/01/93/352590193.db2.gz YHGPNOSINURYHE-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC000051590471 352590196 /nfs/dbraw/zinc/59/01/96/352590196.db2.gz YHGPNOSINURYHE-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000052192971 352604714 /nfs/dbraw/zinc/60/47/14/352604714.db2.gz MJPWNWZEOJJZBK-UHFFFAOYSA-N 1 1 304.306 1.295 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+]1CCc2sccc2C1 ZINC000053580113 352661596 /nfs/dbraw/zinc/66/15/96/352661596.db2.gz AJBKJHDLCJKEQE-UHFFFAOYSA-N 1 1 307.379 1.860 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@H+]1CCc2sccc2C1 ZINC000053580113 352661600 /nfs/dbraw/zinc/66/16/00/352661600.db2.gz AJBKJHDLCJKEQE-UHFFFAOYSA-N 1 1 307.379 1.860 20 5 DDBDMO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000053968490 352674399 /nfs/dbraw/zinc/67/43/99/352674399.db2.gz ABDUDTMYONNUPN-JKSUJKDBSA-N 1 1 317.389 1.741 20 5 DDBDMO COCCN1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900432 352749232 /nfs/dbraw/zinc/74/92/32/352749232.db2.gz YYUSVMULRXZQER-UHFFFAOYSA-N 1 1 323.393 1.628 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000066149656 352980192 /nfs/dbraw/zinc/98/01/92/352980192.db2.gz FUMGNXZAWJCOPP-NSHDSACASA-N 1 1 311.386 1.373 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000065810381 352964592 /nfs/dbraw/zinc/96/45/92/352964592.db2.gz CAEXXPMZBLMITQ-UHFFFAOYSA-N 1 1 321.312 1.641 20 5 DDBDMO O=C1[C@H]([NH+]2CCC(CO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067377214 353045993 /nfs/dbraw/zinc/04/59/93/353045993.db2.gz ZZLUJCLDZNPYMJ-OAHLLOKOSA-N 1 1 319.361 1.404 20 5 DDBDMO COc1ccc(CC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000068195973 353095518 /nfs/dbraw/zinc/09/55/18/353095518.db2.gz DCGFADAGLZPPHE-NSHDSACASA-N 1 1 321.377 1.745 20 5 DDBDMO CCc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000173998363 198278770 /nfs/dbraw/zinc/27/87/70/198278770.db2.gz KBEGEIMJVFNPFZ-UHFFFAOYSA-N 1 1 321.377 1.609 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000074074008 353289426 /nfs/dbraw/zinc/28/94/26/353289426.db2.gz WBQLHEXWVFULBK-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO CCN1CC[NH+](CCCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740456 353327807 /nfs/dbraw/zinc/32/78/07/353327807.db2.gz GGUOUHPVIVRLNB-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO CC[N@@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174736478 198378425 /nfs/dbraw/zinc/37/84/25/198378425.db2.gz NYOJPIKNUKLFGG-INIZCTEOSA-N 1 1 318.377 1.717 20 5 DDBDMO Cc1c(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000083244978 353709125 /nfs/dbraw/zinc/70/91/25/353709125.db2.gz ZEZWHDJFHOANEX-HNNXBMFYSA-N 1 1 323.393 1.028 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000293114307 354454088 /nfs/dbraw/zinc/45/40/88/354454088.db2.gz LVKSBXOYNPTBIA-ZFWWWQNUSA-N 1 1 324.377 1.429 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](O)C1CC1 ZINC000305239886 354469855 /nfs/dbraw/zinc/46/98/55/354469855.db2.gz QLOPQBJCUKUMRD-HNNXBMFYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](O)C1CC1 ZINC000305239886 354469858 /nfs/dbraw/zinc/46/98/58/354469858.db2.gz QLOPQBJCUKUMRD-HNNXBMFYSA-N 1 1 319.361 1.187 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000316903138 354506953 /nfs/dbraw/zinc/50/69/53/354506953.db2.gz PAOXBICMQAWGIS-GFCCVEGCSA-N 1 1 305.334 1.666 20 5 DDBDMO [NH3+]CC1(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000404618120 354676665 /nfs/dbraw/zinc/67/66/65/354676665.db2.gz UXZBMHVMSYKGFI-UHFFFAOYSA-N 1 1 317.342 1.141 20 5 DDBDMO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@H+]1C1CC1 ZINC000589584122 355002105 /nfs/dbraw/zinc/00/21/05/355002105.db2.gz GCANXYHTCVQIKG-SKDRFNHKSA-N 1 1 306.366 1.706 20 5 DDBDMO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000590045606 355043353 /nfs/dbraw/zinc/04/33/53/355043353.db2.gz SKKDWERJXVPTKH-CORIIIEPSA-N 1 1 303.362 1.861 20 5 DDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601317784 358493308 /nfs/dbraw/zinc/49/33/08/358493308.db2.gz CJEBLOLZEXTJHB-UHFFFAOYSA-N 1 1 319.408 1.337 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590763173 355171030 /nfs/dbraw/zinc/17/10/30/355171030.db2.gz PFROAHRSGSYUOW-INIZCTEOSA-N 1 1 324.377 1.695 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000591534392 355324369 /nfs/dbraw/zinc/32/43/69/355324369.db2.gz AHTTUCVQQBOUDM-IUODEOHRSA-N 1 1 303.362 1.988 20 5 DDBDMO Cc1nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000591729005 355373725 /nfs/dbraw/zinc/37/37/25/355373725.db2.gz CRRXEDVOKMDAGD-GFCCVEGCSA-N 1 1 323.374 1.889 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256422 355548287 /nfs/dbraw/zinc/54/82/87/355548287.db2.gz YYVKIUTXUBTMKW-VXGBXAGGSA-N 1 1 321.381 1.478 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017115 355771422 /nfs/dbraw/zinc/77/14/22/355771422.db2.gz DRUQDWUFQOVUPM-TZMCWYRMSA-N 1 1 305.382 1.570 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017115 355771426 /nfs/dbraw/zinc/77/14/26/355771426.db2.gz DRUQDWUFQOVUPM-TZMCWYRMSA-N 1 1 305.382 1.570 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017115 355771431 /nfs/dbraw/zinc/77/14/31/355771431.db2.gz DRUQDWUFQOVUPM-TZMCWYRMSA-N 1 1 305.382 1.570 20 5 DDBDMO CC[C@@H]1COC(C)(C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593058445 355782437 /nfs/dbraw/zinc/78/24/37/355782437.db2.gz MFFZKZYJXOIWHI-GFCCVEGCSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000593058445 355782441 /nfs/dbraw/zinc/78/24/41/355782441.db2.gz MFFZKZYJXOIWHI-GFCCVEGCSA-N 1 1 309.366 1.646 20 5 DDBDMO C[C@H](CCO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593107005 355800276 /nfs/dbraw/zinc/80/02/76/355800276.db2.gz DCPFIBUEQJPUTQ-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@H](CCO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593107005 355800281 /nfs/dbraw/zinc/80/02/81/355800281.db2.gz DCPFIBUEQJPUTQ-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593505926 355907699 /nfs/dbraw/zinc/90/76/99/355907699.db2.gz YMUMVCNTQYCPDT-CQSZACIVSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000593485966 355900506 /nfs/dbraw/zinc/90/05/06/355900506.db2.gz DRZSJBMUUCYXHG-MFKMUULPSA-N 1 1 309.341 1.875 20 5 DDBDMO C[C@@H](O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594055360 356101631 /nfs/dbraw/zinc/10/16/31/356101631.db2.gz KZDXKESHWMJTCX-RISCZKNCSA-N 1 1 310.350 1.180 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000594584484 356256058 /nfs/dbraw/zinc/25/60/58/356256058.db2.gz DPNDOEMVGYTNEG-GFCCVEGCSA-N 1 1 324.381 1.280 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000594584484 356256060 /nfs/dbraw/zinc/25/60/60/356256060.db2.gz DPNDOEMVGYTNEG-GFCCVEGCSA-N 1 1 324.381 1.280 20 5 DDBDMO O=C(C[NH2+][C@@H]1CCCn2nccc21)Nc1ccccc1[N+](=O)[O-] ZINC000595012792 356372449 /nfs/dbraw/zinc/37/24/49/356372449.db2.gz OIOYNHOAHSTGPW-LLVKDONJSA-N 1 1 315.333 1.855 20 5 DDBDMO Cc1noc(C[N@@H+](C)[C@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595591807 356566033 /nfs/dbraw/zinc/56/60/33/356566033.db2.gz KRISDRATOPWZFL-ZDUSSCGKSA-N 1 1 305.334 1.927 20 5 DDBDMO Cc1noc(C[N@H+](C)[C@H](CO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595591807 356566037 /nfs/dbraw/zinc/56/60/37/356566037.db2.gz KRISDRATOPWZFL-ZDUSSCGKSA-N 1 1 305.334 1.927 20 5 DDBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679781 356608071 /nfs/dbraw/zinc/60/80/71/356608071.db2.gz YCZWQXSMSAQCKQ-RISCZKNCSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679067 356606769 /nfs/dbraw/zinc/60/67/69/356606769.db2.gz UTICLVPURXOESR-GXTWGEPZSA-N 1 1 309.366 1.239 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760623 356642057 /nfs/dbraw/zinc/64/20/57/356642057.db2.gz UWYPFBDHFMEFMV-CJNGLKHVSA-N 1 1 320.345 1.930 20 5 DDBDMO C[C@H]1COC2(CCCC2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816414 356662132 /nfs/dbraw/zinc/66/21/32/356662132.db2.gz WZMKQJBKGLOCLA-GXTWGEPZSA-N 1 1 324.381 1.186 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595867506 356684952 /nfs/dbraw/zinc/68/49/52/356684952.db2.gz NOESAXJUQZPLHU-MRXNPFEDSA-N 1 1 305.378 1.626 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595873318 356686582 /nfs/dbraw/zinc/68/65/82/356686582.db2.gz LLJFXEFQABKQIV-WBMJQRKESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595873318 356686586 /nfs/dbraw/zinc/68/65/86/356686586.db2.gz LLJFXEFQABKQIV-WBMJQRKESA-N 1 1 321.377 1.792 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276920201 213176034 /nfs/dbraw/zinc/17/60/34/213176034.db2.gz OLSQZTOETSDQKG-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596146669 356791285 /nfs/dbraw/zinc/79/12/85/356791285.db2.gz GVQHFHOUTSFLNJ-GFCCVEGCSA-N 1 1 306.366 1.864 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000596199689 356811087 /nfs/dbraw/zinc/81/10/87/356811087.db2.gz FKQBPQWYYQTALW-JTQLQIEISA-N 1 1 301.306 1.317 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257505 356835239 /nfs/dbraw/zinc/83/52/39/356835239.db2.gz PCUWOVRNECHJDS-LLVKDONJSA-N 1 1 306.366 1.614 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598643497 357666314 /nfs/dbraw/zinc/66/63/14/357666314.db2.gz LMUYIPKAVOKOKM-IPYPFGDCSA-N 1 1 324.377 1.285 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000599139026 357826996 /nfs/dbraw/zinc/82/69/96/357826996.db2.gz MQHREJKANJCWNA-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO CCOC(=O)C[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000599412831 357925692 /nfs/dbraw/zinc/92/56/92/357925692.db2.gz OWWAEGBLIQTIMQ-ZDUSSCGKSA-N 1 1 310.350 1.383 20 5 DDBDMO C[C@]1(CO)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624924 357997367 /nfs/dbraw/zinc/99/73/67/357997367.db2.gz ZCBOVWYKYIZLSY-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO C[C@]1(CO)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624924 357997372 /nfs/dbraw/zinc/99/73/72/357997372.db2.gz ZCBOVWYKYIZLSY-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1C[C@@H](O)C1 ZINC000599668959 358016985 /nfs/dbraw/zinc/01/69/85/358016985.db2.gz AHNNDDWISJDXIS-GSJFWJNXSA-N 1 1 318.333 1.848 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1C[C@@H](O)C1 ZINC000599668959 358016987 /nfs/dbraw/zinc/01/69/87/358016987.db2.gz AHNNDDWISJDXIS-GSJFWJNXSA-N 1 1 318.333 1.848 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937115 358085422 /nfs/dbraw/zinc/08/54/22/358085422.db2.gz DTRFOQPGDIQBCH-OCCSQVGLSA-N 1 1 323.324 1.015 20 5 DDBDMO CC[N@H+](CCN)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600717552 358293678 /nfs/dbraw/zinc/29/36/78/358293678.db2.gz QUUQAZNJKQAUFO-UHFFFAOYSA-N 1 1 310.354 1.213 20 5 DDBDMO CC[N@@H+](CCN)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000600717552 358293684 /nfs/dbraw/zinc/29/36/84/358293684.db2.gz QUUQAZNJKQAUFO-UHFFFAOYSA-N 1 1 310.354 1.213 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600808457 358320174 /nfs/dbraw/zinc/32/01/74/358320174.db2.gz OYFCNKOISNKTEH-LBPRGKRZSA-N 1 1 313.741 1.045 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCc3nnc4n3CCC4)c2c1 ZINC000601101893 358403108 /nfs/dbraw/zinc/40/31/08/358403108.db2.gz WXHRYRQQDFDZDJ-UHFFFAOYSA-N 1 1 324.344 1.757 20 5 DDBDMO O=C(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)N1CCCCC1 ZINC000601104284 358403519 /nfs/dbraw/zinc/40/35/19/358403519.db2.gz RIHPFSDKRONICA-UHFFFAOYSA-N 1 1 314.345 1.989 20 5 DDBDMO CN1CC[C@@H]([NH+]2CCC(Nc3sccc3[N+](=O)[O-])CC2)C1=O ZINC000601177571 358435786 /nfs/dbraw/zinc/43/57/86/358435786.db2.gz XEGKBUHYKBCCLX-GFCCVEGCSA-N 1 1 324.406 1.763 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@]3(O)CCCOC3)c2c1 ZINC000601184622 358438225 /nfs/dbraw/zinc/43/82/25/358438225.db2.gz MUGPBEIFTCFCLW-MRXNPFEDSA-N 1 1 317.345 1.908 20 5 DDBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000181037775 199243202 /nfs/dbraw/zinc/24/32/02/199243202.db2.gz IQKYCCALFPHRSY-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602073715 358801748 /nfs/dbraw/zinc/80/17/48/358801748.db2.gz OJWIWQDPTMTPPW-NSHDSACASA-N 1 1 307.350 1.561 20 5 DDBDMO C[S@@](=O)C1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602655357 359104805 /nfs/dbraw/zinc/10/48/05/359104805.db2.gz JXEVKFLBIPAGTK-OAQYLSRUSA-N 1 1 309.347 1.737 20 5 DDBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602598445 359063039 /nfs/dbraw/zinc/06/30/39/359063039.db2.gz ZCDJAQOOICFFHT-GFCCVEGCSA-N 1 1 324.381 1.740 20 5 DDBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602598445 359063042 /nfs/dbraw/zinc/06/30/42/359063042.db2.gz ZCDJAQOOICFFHT-GFCCVEGCSA-N 1 1 324.381 1.740 20 5 DDBDMO COC(=O)COc1ccc(C[NH+]2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000602751864 359169291 /nfs/dbraw/zinc/16/92/91/359169291.db2.gz LRLKQSKVTVWZNC-UHFFFAOYSA-N 1 1 308.334 1.988 20 5 DDBDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792802 359195657 /nfs/dbraw/zinc/19/56/57/359195657.db2.gz COOYBKKAGPOJKV-YNEHKIRRSA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[N@@H+](C)C1CC1 ZINC000186744402 200002087 /nfs/dbraw/zinc/00/20/87/200002087.db2.gz LDAJJRSCQMRKSL-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1NC[C@]1(CO)COCC[NH2+]1 ZINC000603418971 359628779 /nfs/dbraw/zinc/62/87/79/359628779.db2.gz JXZUICYPISNVGP-LBPRGKRZSA-N 1 1 301.730 1.011 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187041794 200051452 /nfs/dbraw/zinc/05/14/52/200051452.db2.gz OYZNXPGTUOUNDN-LLVKDONJSA-N 1 1 322.365 1.546 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604278139 359731758 /nfs/dbraw/zinc/73/17/58/359731758.db2.gz JXKPDZXSASKZFK-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604278139 359731759 /nfs/dbraw/zinc/73/17/59/359731759.db2.gz JXKPDZXSASKZFK-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCOCC1 ZINC000188501721 200257369 /nfs/dbraw/zinc/25/73/69/200257369.db2.gz LCCLTQDHQRTPKE-UHFFFAOYSA-N 1 1 309.366 1.875 20 5 DDBDMO CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1CCO ZINC000618585345 363682524 /nfs/dbraw/zinc/68/25/24/363682524.db2.gz ADATTXVWKMAFJX-UHFFFAOYSA-N 1 1 319.365 1.364 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000610570056 360472603 /nfs/dbraw/zinc/47/26/03/360472603.db2.gz SBAYFLBXGMFMGH-HNNXBMFYSA-N 1 1 319.361 1.532 20 5 DDBDMO Cc1c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cccc1[N+](=O)[O-] ZINC000611165909 360643179 /nfs/dbraw/zinc/64/31/79/360643179.db2.gz IBYNZJQXBRDXKE-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000611525547 360747071 /nfs/dbraw/zinc/74/70/71/360747071.db2.gz KEEGBZZHPRZSNQ-NSHDSACASA-N 1 1 308.382 1.813 20 5 DDBDMO Cc1nn(C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611508422 360741218 /nfs/dbraw/zinc/74/12/18/360741218.db2.gz FYQBMAJBLHZOSG-CQSZACIVSA-N 1 1 304.350 1.593 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271969863 209347680 /nfs/dbraw/zinc/34/76/80/209347680.db2.gz MPQDHBOOWYVKAN-UHFFFAOYSA-N 1 1 305.334 1.352 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000612070174 360909158 /nfs/dbraw/zinc/90/91/58/360909158.db2.gz DAYJUXDTKYMMGY-KGLIPLIRSA-N 1 1 324.377 1.429 20 5 DDBDMO COCC1([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612110819 360923071 /nfs/dbraw/zinc/92/30/71/360923071.db2.gz YIYXVOWGQGXLHK-GFCCVEGCSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000193474646 201057861 /nfs/dbraw/zinc/05/78/61/201057861.db2.gz FTCVCYRWSUSMEW-OAHLLOKOSA-N 1 1 318.333 1.077 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193485892 201061139 /nfs/dbraw/zinc/06/11/39/201061139.db2.gz NPLLDVUEXOFDNY-UHFFFAOYSA-N 1 1 322.409 1.972 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193633882 201091413 /nfs/dbraw/zinc/09/14/13/201091413.db2.gz JMJVIXQRGVJDHE-ABAIWWIYSA-N 1 1 321.377 1.996 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000619578383 364070499 /nfs/dbraw/zinc/07/04/99/364070499.db2.gz HAPQTGJOXYQHPT-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](CCOC)C1 ZINC000264603652 204023089 /nfs/dbraw/zinc/02/30/89/204023089.db2.gz NZPABKNCSPSSHY-AWEZNQCLSA-N 1 1 323.393 1.804 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+](CCOC)C1 ZINC000264603652 204023094 /nfs/dbraw/zinc/02/30/94/204023094.db2.gz NZPABKNCSPSSHY-AWEZNQCLSA-N 1 1 323.393 1.804 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264683938 204077279 /nfs/dbraw/zinc/07/72/79/204077279.db2.gz LFYNKGWMZAZFTH-CQSZACIVSA-N 1 1 321.377 1.964 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000264662031 204060584 /nfs/dbraw/zinc/06/05/84/204060584.db2.gz IUSDWRGZJSJFBV-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO CC[NH+](CC)C[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266309774 205256369 /nfs/dbraw/zinc/25/63/69/205256369.db2.gz NUHYABMXWZGRFH-LLVKDONJSA-N 1 1 309.370 1.430 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000351590020 284397691 /nfs/dbraw/zinc/39/76/91/284397691.db2.gz POQGOUMFMCDUNK-BETUJISGSA-N 1 1 317.389 1.892 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000269104754 207243408 /nfs/dbraw/zinc/24/34/08/207243408.db2.gz BLXKJRCGHSHNLZ-RYUDHWBXSA-N 1 1 321.381 1.193 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)CC1 ZINC000065955327 184383956 /nfs/dbraw/zinc/38/39/56/184383956.db2.gz LRRDUTAIGJUJAV-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352432627 285046677 /nfs/dbraw/zinc/04/66/77/285046677.db2.gz UNNYFBNGQXKARM-JTQLQIEISA-N 1 1 321.333 1.490 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)CC3CC3)n2)cc1 ZINC000352464996 285069940 /nfs/dbraw/zinc/06/99/40/285069940.db2.gz ZVEDRHBLBZNAHI-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)CC3CC3)n2)cc1 ZINC000352464996 285069941 /nfs/dbraw/zinc/06/99/41/285069941.db2.gz ZVEDRHBLBZNAHI-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286329487 218921005 /nfs/dbraw/zinc/92/10/05/218921005.db2.gz VETPNMWUMZHINY-FUNVUKJBSA-N 1 1 321.381 1.183 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000158986604 197315942 /nfs/dbraw/zinc/31/59/42/197315942.db2.gz VOYFWODXDZUECJ-QMMMGPOBSA-N 1 1 309.351 1.412 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352546494 285131290 /nfs/dbraw/zinc/13/12/90/285131290.db2.gz WCQCUGSKJXQUIW-HNNXBMFYSA-N 1 1 308.334 1.988 20 5 DDBDMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545000 285130093 /nfs/dbraw/zinc/13/00/93/285130093.db2.gz UMYQOPDHALCGJL-LLVKDONJSA-N 1 1 322.365 1.303 20 5 DDBDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352545000 285130097 /nfs/dbraw/zinc/13/00/97/285130097.db2.gz UMYQOPDHALCGJL-LLVKDONJSA-N 1 1 322.365 1.303 20 5 DDBDMO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000434790407 533093897 /nfs/dbraw/zinc/09/38/97/533093897.db2.gz UJXFIFFABINDMG-UONOGXRCSA-N 1 1 320.349 1.755 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[C@H]1O ZINC000352657974 285201728 /nfs/dbraw/zinc/20/17/28/285201728.db2.gz CPNFMVGJLPMTBJ-CHWSQXEVSA-N 1 1 318.333 1.990 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352701039 285238879 /nfs/dbraw/zinc/23/88/79/285238879.db2.gz VFZYMSKBJSTRFK-UONOGXRCSA-N 1 1 307.350 1.687 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451539474 533415807 /nfs/dbraw/zinc/41/58/07/533415807.db2.gz FISFUGJRPFNBHY-DUVNUKRYSA-N 1 1 324.377 1.691 20 5 DDBDMO Cc1n[nH]c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299503934 533665961 /nfs/dbraw/zinc/66/59/61/533665961.db2.gz DPBYZWLSUSXWOT-JTQLQIEISA-N 1 1 323.397 1.867 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000568487945 304295519 /nfs/dbraw/zinc/29/55/19/304295519.db2.gz VFTOYSYVWQQVKY-UHFFFAOYSA-N 1 1 306.366 1.871 20 5 DDBDMO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000568998303 304328964 /nfs/dbraw/zinc/32/89/64/304328964.db2.gz TVQWXUBOFJCOQV-LLVKDONJSA-N 1 1 307.350 1.560 20 5 DDBDMO C[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000035084501 406966852 /nfs/dbraw/zinc/96/68/52/406966852.db2.gz AYOZAZTXLDVXTB-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079670166 407060747 /nfs/dbraw/zinc/06/07/47/407060747.db2.gz JPFJZVVRNBKJRE-CYBMUJFWSA-N 1 1 318.377 1.878 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054987137 407192549 /nfs/dbraw/zinc/19/25/49/407192549.db2.gz IPACYHGRJIEKNL-OAHLLOKOSA-N 1 1 303.362 1.880 20 5 DDBDMO C[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000089619630 407141762 /nfs/dbraw/zinc/14/17/62/407141762.db2.gz QRCALZJISWXMBS-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111417010 407410141 /nfs/dbraw/zinc/41/01/41/407410141.db2.gz QIFZYXILQNSDJH-UHFFFAOYSA-N 1 1 322.365 1.781 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000178760043 407589761 /nfs/dbraw/zinc/58/97/61/407589761.db2.gz FNNGOLQTRZYCFE-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO [NH3+]CC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000261773737 407609716 /nfs/dbraw/zinc/60/97/16/407609716.db2.gz WHXUPVMMJBELQS-UHFFFAOYSA-N 1 1 317.342 1.284 20 5 DDBDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179148131 407738244 /nfs/dbraw/zinc/73/82/44/407738244.db2.gz UODBSBRXOLKICN-LBPRGKRZSA-N 1 1 321.333 1.221 20 5 DDBDMO C[N@@H+](CC1(CO)CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186785016 407770759 /nfs/dbraw/zinc/77/07/59/407770759.db2.gz XPZOUEPNCITEKX-CQSZACIVSA-N 1 1 319.361 1.404 20 5 DDBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841581 407954770 /nfs/dbraw/zinc/95/47/70/407954770.db2.gz RZPPKMJOWJODGK-GFCCVEGCSA-N 1 1 320.393 1.467 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268261568 407976493 /nfs/dbraw/zinc/97/64/93/407976493.db2.gz ZJLIJBMCKPXAKK-LDYMZIIASA-N 1 1 307.354 1.093 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273121058 408064751 /nfs/dbraw/zinc/06/47/51/408064751.db2.gz HMMOILAFVIHNSM-BZPMIXESSA-N 1 1 310.350 1.037 20 5 DDBDMO COCCO[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000189654327 408071093 /nfs/dbraw/zinc/07/10/93/408071093.db2.gz AVYKJPSOWSAYPC-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000189654327 408071098 /nfs/dbraw/zinc/07/10/98/408071098.db2.gz AVYKJPSOWSAYPC-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000182171086 408086480 /nfs/dbraw/zinc/08/64/80/408086480.db2.gz TYTJKUCFSCMHCS-STQMWFEESA-N 1 1 310.350 1.039 20 5 DDBDMO C[C@]1(O)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245949967 408110916 /nfs/dbraw/zinc/11/09/16/408110916.db2.gz SKFHYYDRQXYOON-HOCLYGCPSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@]1(O)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245949967 408110920 /nfs/dbraw/zinc/11/09/20/408110920.db2.gz SKFHYYDRQXYOON-HOCLYGCPSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246411860 408249871 /nfs/dbraw/zinc/24/98/71/408249871.db2.gz KBFUXBNLXVTJJU-WCQYABFASA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246411860 408249878 /nfs/dbraw/zinc/24/98/78/408249878.db2.gz KBFUXBNLXVTJJU-WCQYABFASA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000246411860 408249882 /nfs/dbraw/zinc/24/98/82/408249882.db2.gz KBFUXBNLXVTJJU-WCQYABFASA-N 1 1 311.407 1.809 20 5 DDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)(F)C[NH3+] ZINC000190253576 408200269 /nfs/dbraw/zinc/20/02/69/408200269.db2.gz CWLHQIZXACIOSH-QMMMGPOBSA-N 1 1 319.333 1.786 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155951180 408226564 /nfs/dbraw/zinc/22/65/64/408226564.db2.gz LOFZDICNQLRPCR-HNNXBMFYSA-N 1 1 324.377 1.693 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000176086472 408282630 /nfs/dbraw/zinc/28/26/30/408282630.db2.gz VQQQHQIITQYYLO-SNVBAGLBSA-N 1 1 308.338 1.109 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247237139 408436102 /nfs/dbraw/zinc/43/61/02/408436102.db2.gz DKFYHXZEQKVNIN-OLZOCXBDSA-N 1 1 314.411 1.226 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000270386475 408513284 /nfs/dbraw/zinc/51/32/84/408513284.db2.gz RJHLFQJIERXJRQ-AWEZNQCLSA-N 1 1 308.382 1.830 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264545899 408530060 /nfs/dbraw/zinc/53/00/60/408530060.db2.gz OFBOKHXSEIYRIR-ZDUSSCGKSA-N 1 1 307.350 1.354 20 5 DDBDMO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@H](C)O ZINC000247438242 408469566 /nfs/dbraw/zinc/46/95/66/408469566.db2.gz ZLMUXWNHUOOKLZ-ZFWWWQNUSA-N 1 1 307.394 1.872 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000192474562 408596018 /nfs/dbraw/zinc/59/60/18/408596018.db2.gz YWODBLIEMMBPJV-AOOOYVTPSA-N 1 1 315.333 1.105 20 5 DDBDMO C[N@H+]1C[C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000192474562 408596023 /nfs/dbraw/zinc/59/60/23/408596023.db2.gz YWODBLIEMMBPJV-AOOOYVTPSA-N 1 1 315.333 1.105 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000192474562 408596027 /nfs/dbraw/zinc/59/60/27/408596027.db2.gz YWODBLIEMMBPJV-AOOOYVTPSA-N 1 1 315.333 1.105 20 5 DDBDMO Cc1ccnc(N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265272680 408598921 /nfs/dbraw/zinc/59/89/21/408598921.db2.gz UZRMVNOORUMMCF-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177154555 408537516 /nfs/dbraw/zinc/53/75/16/408537516.db2.gz XZBJJXOBUOCYFP-KOLCDFICSA-N 1 1 304.350 1.532 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000192532333 408605870 /nfs/dbraw/zinc/60/58/70/408605870.db2.gz QMHAKDDIBYTJLU-LLVKDONJSA-N 1 1 305.334 1.524 20 5 DDBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192542332 408609682 /nfs/dbraw/zinc/60/96/82/408609682.db2.gz MIBLFJFPYHFMHP-VIFPVBQESA-N 1 1 300.384 1.333 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192542332 408609685 /nfs/dbraw/zinc/60/96/85/408609685.db2.gz MIBLFJFPYHFMHP-VIFPVBQESA-N 1 1 300.384 1.333 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000162490873 408707827 /nfs/dbraw/zinc/70/78/27/408707827.db2.gz IIQRPQSOFIXUDC-INWMFGNUSA-N 1 1 324.377 1.427 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859338 408712310 /nfs/dbraw/zinc/71/23/10/408712310.db2.gz ZOOOJOXTTRFXPD-NSHDSACASA-N 1 1 309.370 1.323 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1O ZINC000249555503 408741966 /nfs/dbraw/zinc/74/19/66/408741966.db2.gz JOIWIKXANJMOSS-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1O ZINC000249555503 408741969 /nfs/dbraw/zinc/74/19/69/408741969.db2.gz JOIWIKXANJMOSS-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195197171 163312697 /nfs/dbraw/zinc/31/26/97/163312697.db2.gz DQDURFPKVGMXDZ-HNNXBMFYSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195197171 163312701 /nfs/dbraw/zinc/31/27/01/163312701.db2.gz DQDURFPKVGMXDZ-HNNXBMFYSA-N 1 1 319.361 1.717 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000227650796 163339453 /nfs/dbraw/zinc/33/94/53/163339453.db2.gz JFLGLJUACKKVPX-KOLCDFICSA-N 1 1 312.757 1.918 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292179687 408995795 /nfs/dbraw/zinc/99/57/95/408995795.db2.gz QMRKCURWXGAOFJ-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000292179687 408995798 /nfs/dbraw/zinc/99/57/98/408995798.db2.gz QMRKCURWXGAOFJ-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CCC[C@@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000277755317 409005795 /nfs/dbraw/zinc/00/57/95/409005795.db2.gz LULBGMZOUHTLOJ-HNNXBMFYSA-N 1 1 309.366 1.384 20 5 DDBDMO C[N@@H+]1CCN(CCNCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282327488 409035191 /nfs/dbraw/zinc/03/51/91/409035191.db2.gz LIWAROWMNRRPFP-UHFFFAOYSA-N 1 1 306.410 1.710 20 5 DDBDMO C[N@H+]1CCN(CCNCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282327488 409035194 /nfs/dbraw/zinc/03/51/94/409035194.db2.gz LIWAROWMNRRPFP-UHFFFAOYSA-N 1 1 306.410 1.710 20 5 DDBDMO O=c1[nH]c(NCC[N@@H+]2CC=CCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287949834 409121016 /nfs/dbraw/zinc/12/10/16/409121016.db2.gz YHBFIYUXILGNFO-UHFFFAOYSA-N 1 1 315.333 1.917 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295502655 409319446 /nfs/dbraw/zinc/31/94/46/409319446.db2.gz PIEMXRPWXIXDQC-ZDUSSCGKSA-N 1 1 307.350 1.171 20 5 DDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000280678684 409406377 /nfs/dbraw/zinc/40/63/77/409406377.db2.gz GLNXYZKPJVDQFH-LLVKDONJSA-N 1 1 323.349 1.725 20 5 DDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000280678684 409406382 /nfs/dbraw/zinc/40/63/82/409406382.db2.gz GLNXYZKPJVDQFH-LLVKDONJSA-N 1 1 323.349 1.725 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000295283066 409413744 /nfs/dbraw/zinc/41/37/44/409413744.db2.gz TUVPMUSYVZNGLE-AWEZNQCLSA-N 1 1 310.329 1.167 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000295283069 409414915 /nfs/dbraw/zinc/41/49/15/409414915.db2.gz TUVPMUSYVZNGLE-CQSZACIVSA-N 1 1 310.329 1.167 20 5 DDBDMO COCCOC[C@@H](O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000295299179 409420253 /nfs/dbraw/zinc/42/02/53/409420253.db2.gz JXPQGKOYLOSRIS-HNNXBMFYSA-N 1 1 312.366 1.093 20 5 DDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295323750 409435875 /nfs/dbraw/zinc/43/58/75/409435875.db2.gz XAUPUVOBVRTMMU-CQSZACIVSA-N 1 1 311.313 1.377 20 5 DDBDMO C[C@]1(F)C[NH2+]CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000295331525 409437514 /nfs/dbraw/zinc/43/75/14/409437514.db2.gz XOOGBIHLTJPDND-AWEZNQCLSA-N 1 1 311.313 1.134 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000322499186 164046652 /nfs/dbraw/zinc/04/66/52/164046652.db2.gz DAYWAOMJMLQIMJ-GFCCVEGCSA-N 1 1 322.365 1.039 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408028971 164202579 /nfs/dbraw/zinc/20/25/79/164202579.db2.gz VMODWNOVYOAALR-NEPJUHHUSA-N 1 1 309.370 1.029 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)cs1 ZINC000285582705 409496540 /nfs/dbraw/zinc/49/65/40/409496540.db2.gz SUSLRYKPOZUYAI-CYBMUJFWSA-N 1 1 323.378 1.275 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)cs1 ZINC000285582705 409496541 /nfs/dbraw/zinc/49/65/41/409496541.db2.gz SUSLRYKPOZUYAI-CYBMUJFWSA-N 1 1 323.378 1.275 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356728514 409557634 /nfs/dbraw/zinc/55/76/34/409557634.db2.gz FEOUQDHGNLNESO-CMPLNLGQSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000337940580 409586062 /nfs/dbraw/zinc/58/60/62/409586062.db2.gz LFTDLVTUACMKQX-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356902459 409706733 /nfs/dbraw/zinc/70/67/33/409706733.db2.gz OBNIIWBQXAHEPV-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356902459 409706740 /nfs/dbraw/zinc/70/67/40/409706740.db2.gz OBNIIWBQXAHEPV-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000356843268 409656919 /nfs/dbraw/zinc/65/69/19/409656919.db2.gz GIBLQKDZLQTATP-CHWSQXEVSA-N 1 1 320.393 1.582 20 5 DDBDMO COCCOC[C@@H](O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296851640 409666351 /nfs/dbraw/zinc/66/63/51/409666351.db2.gz UJZQQMCCVXTDPZ-INIZCTEOSA-N 1 1 324.377 1.583 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(CCCC[NH+]3CCOCC3)n2)o1 ZINC000351140697 410040655 /nfs/dbraw/zinc/04/06/55/410040655.db2.gz BXTUORPYBIUFBO-UHFFFAOYSA-N 1 1 322.321 1.893 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000298087951 410109032 /nfs/dbraw/zinc/10/90/32/410109032.db2.gz PZWPFJRQRDEMLI-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C)CC1 ZINC000298642896 410327153 /nfs/dbraw/zinc/32/71/53/410327153.db2.gz RVFUXRIOZCZBOE-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000351940183 410354109 /nfs/dbraw/zinc/35/41/09/410354109.db2.gz ZUCYTKUUCNAYSQ-UWVGGRQHSA-N 1 1 307.354 1.127 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347004173 410306294 /nfs/dbraw/zinc/30/62/94/410306294.db2.gz BGCTZCGMAQWNFM-CYBMUJFWSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343459817 410471406 /nfs/dbraw/zinc/47/14/06/410471406.db2.gz SHYHHJKYZNGYOU-FZMZJTMJSA-N 1 1 307.350 1.573 20 5 DDBDMO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000343511143 410499998 /nfs/dbraw/zinc/49/99/98/410499998.db2.gz NCZAJAZJKPNJRE-QWHCGFSZSA-N 1 1 312.366 1.426 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000347387459 410514153 /nfs/dbraw/zinc/51/41/53/410514153.db2.gz ZWBCDWJGGLZYMM-BAAYTWLHSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000347387459 410514164 /nfs/dbraw/zinc/51/41/64/410514164.db2.gz ZWBCDWJGGLZYMM-BAAYTWLHSA-N 1 1 319.405 1.997 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000347387459 410514167 /nfs/dbraw/zinc/51/41/67/410514167.db2.gz ZWBCDWJGGLZYMM-BAAYTWLHSA-N 1 1 319.405 1.997 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299210922 410569316 /nfs/dbraw/zinc/56/93/16/410569316.db2.gz CUKTUDNTPCVFLW-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343962358 410849451 /nfs/dbraw/zinc/84/94/51/410849451.db2.gz BXKSCESVHMZYQB-GXFFZTMASA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343962358 410849456 /nfs/dbraw/zinc/84/94/56/410849456.db2.gz BXKSCESVHMZYQB-GXFFZTMASA-N 1 1 313.379 1.356 20 5 DDBDMO CCn1cc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000348318992 410916424 /nfs/dbraw/zinc/91/64/24/410916424.db2.gz KVRSBDMWIWKUIY-UHFFFAOYSA-N 1 1 301.350 1.807 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000339329518 306735824 /nfs/dbraw/zinc/73/58/24/306735824.db2.gz RWDOWLRFFWZHFZ-MELADBBJSA-N 1 1 324.377 1.752 20 5 DDBDMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000353774883 411127878 /nfs/dbraw/zinc/12/78/78/411127878.db2.gz JIAWSDCAUJVRPY-BPJJOFIESA-N 1 1 324.402 1.975 20 5 DDBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000353774883 411127880 /nfs/dbraw/zinc/12/78/80/411127880.db2.gz JIAWSDCAUJVRPY-BPJJOFIESA-N 1 1 324.402 1.975 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362073541 307012916 /nfs/dbraw/zinc/01/29/16/307012916.db2.gz XNAXAFUMIYSNRX-NWDGAFQWSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362073541 307012917 /nfs/dbraw/zinc/01/29/17/307012917.db2.gz XNAXAFUMIYSNRX-NWDGAFQWSA-N 1 1 307.350 1.402 20 5 DDBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)c1 ZINC000373581163 418442266 /nfs/dbraw/zinc/44/22/66/418442266.db2.gz DLFGYDZYNYUHGP-CYBMUJFWSA-N 1 1 304.354 1.715 20 5 DDBDMO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000373795777 418460605 /nfs/dbraw/zinc/46/06/05/418460605.db2.gz GCQQIUNHGYKOJF-OAHLLOKOSA-N 1 1 324.381 1.451 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000374109415 418489176 /nfs/dbraw/zinc/48/91/76/418489176.db2.gz VBTOGBUXQVWPTJ-IUODEOHRSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000374109415 418489177 /nfs/dbraw/zinc/48/91/77/418489177.db2.gz VBTOGBUXQVWPTJ-IUODEOHRSA-N 1 1 320.324 1.738 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000191678737 222107570 /nfs/dbraw/zinc/10/75/70/222107570.db2.gz WECAAVLCWGPBQZ-VXGBXAGGSA-N 1 1 321.381 1.368 20 5 DDBDMO CCOC1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000367601680 418614232 /nfs/dbraw/zinc/61/42/32/418614232.db2.gz GVZREIODRASKTQ-NFOMZHRRSA-N 1 1 324.381 1.043 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1[C@@H]1CCCO1 ZINC000367724745 418627618 /nfs/dbraw/zinc/62/76/18/418627618.db2.gz HFQBKASWMWDLAD-IHRRRGAJSA-N 1 1 324.381 1.042 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000375628048 418666130 /nfs/dbraw/zinc/66/61/30/418666130.db2.gz APAVTBIDDIQSDH-IYBDPMFKSA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361588127 418687082 /nfs/dbraw/zinc/68/70/82/418687082.db2.gz XQZHCFNGGAAHAH-CJNGLKHVSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C1NC[C@]2(CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)O1 ZINC000364787900 418810638 /nfs/dbraw/zinc/81/06/38/418810638.db2.gz JAKKZRVUJNSOGK-HNNXBMFYSA-N 1 1 321.333 1.548 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000372352674 418860059 /nfs/dbraw/zinc/86/00/59/418860059.db2.gz ZYEKAFWAMKQYQB-KGLIPLIRSA-N 1 1 307.350 1.400 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000420966307 419388918 /nfs/dbraw/zinc/38/89/18/419388918.db2.gz VBLOFDOAZGSXIY-HIFRSBDPSA-N 1 1 308.382 1.664 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3CCO)n2)c1 ZINC000426200170 419402083 /nfs/dbraw/zinc/40/20/83/419402083.db2.gz VZTAEKORWPZOBX-LBPRGKRZSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421002857 419438153 /nfs/dbraw/zinc/43/81/53/419438153.db2.gz BTVXYPXAHKXSEJ-RISCZKNCSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000421002857 419438161 /nfs/dbraw/zinc/43/81/61/419438161.db2.gz BTVXYPXAHKXSEJ-RISCZKNCSA-N 1 1 319.361 1.329 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000421018712 419453773 /nfs/dbraw/zinc/45/37/73/419453773.db2.gz LPUUIEKKDYALOF-HNNXBMFYSA-N 1 1 308.334 1.847 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000421018712 419453778 /nfs/dbraw/zinc/45/37/78/419453778.db2.gz LPUUIEKKDYALOF-HNNXBMFYSA-N 1 1 308.334 1.847 20 5 DDBDMO COc1cc(C[NH2+]CC2(N(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000418110669 419538517 /nfs/dbraw/zinc/53/85/17/419538517.db2.gz CHBHTTGBQLANQP-UHFFFAOYSA-N 1 1 309.366 1.796 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000412040780 419580888 /nfs/dbraw/zinc/58/08/88/419580888.db2.gz KOTBOXWRTBVDEL-KWCYVHTRSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000429299015 419998724 /nfs/dbraw/zinc/99/87/24/419998724.db2.gz FLPJYTHNUMXETE-INIZCTEOSA-N 1 1 318.377 1.901 20 5 DDBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423550556 420079413 /nfs/dbraw/zinc/07/94/13/420079413.db2.gz FQCURCUGPJNMRL-AAEUAGOBSA-N 1 1 309.366 1.633 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000430209443 420090444 /nfs/dbraw/zinc/09/04/44/420090444.db2.gz XWAXUZWUEATYNV-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000420283564 420180505 /nfs/dbraw/zinc/18/05/05/420180505.db2.gz CDIYZEASHPRQLL-IUODEOHRSA-N 1 1 320.393 1.983 20 5 DDBDMO CC(C)(C)[C@H](C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423959077 420284542 /nfs/dbraw/zinc/28/45/42/420284542.db2.gz RCQPTLPBJCXXGR-NSHDSACASA-N 1 1 305.338 1.574 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420593918 420325723 /nfs/dbraw/zinc/32/57/23/420325723.db2.gz CLZYENCOXISVQT-GFCCVEGCSA-N 1 1 320.393 1.862 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)nc2c1 ZINC000425555121 420417683 /nfs/dbraw/zinc/41/76/83/420417683.db2.gz XKISTDSHLXGQEI-SECBINFHSA-N 1 1 313.321 1.579 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)nc2c1 ZINC000425555121 420417685 /nfs/dbraw/zinc/41/76/85/420417685.db2.gz XKISTDSHLXGQEI-SECBINFHSA-N 1 1 313.321 1.579 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000446082133 230231742 /nfs/dbraw/zinc/23/17/42/230231742.db2.gz OPSKCYWUFPYRPF-COMQUAJESA-N 1 1 324.377 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000446082133 230231746 /nfs/dbraw/zinc/23/17/46/230231746.db2.gz OPSKCYWUFPYRPF-COMQUAJESA-N 1 1 324.377 1.832 20 5 DDBDMO COc1cccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000438786477 420465785 /nfs/dbraw/zinc/46/57/85/420465785.db2.gz YMHPKXXFIWLTHO-CQSZACIVSA-N 1 1 320.349 1.293 20 5 DDBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000450921190 420561632 /nfs/dbraw/zinc/56/16/32/420561632.db2.gz FITABUYSZGRFSX-UHFFFAOYSA-N 1 1 307.398 1.818 20 5 DDBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440863778 420615911 /nfs/dbraw/zinc/61/59/11/420615911.db2.gz VMFGLLXWTIUWPC-SECBINFHSA-N 1 1 319.408 1.419 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452069544 420620945 /nfs/dbraw/zinc/62/09/45/420620945.db2.gz QCBAGQNWARKFBT-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452069544 420620949 /nfs/dbraw/zinc/62/09/49/420620949.db2.gz QCBAGQNWARKFBT-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO COc1ccc(OCCN2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442762635 420709618 /nfs/dbraw/zinc/70/96/18/420709618.db2.gz CHMFMQNCAHBPMN-NEPJUHHUSA-N 1 1 309.366 1.651 20 5 DDBDMO C[C@H](C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000459803598 420878054 /nfs/dbraw/zinc/87/80/54/420878054.db2.gz JYQDBDVVDOSTBT-LLVKDONJSA-N 1 1 312.370 1.701 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000449095511 420948458 /nfs/dbraw/zinc/94/84/58/420948458.db2.gz ZBGKHKQLOLBYHY-GDBMZVCRSA-N 1 1 321.421 1.962 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000449430238 421011246 /nfs/dbraw/zinc/01/12/46/421011246.db2.gz BVOPQTGUJLKBIW-IMJJTQAJSA-N 1 1 306.362 1.957 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000456071884 421096270 /nfs/dbraw/zinc/09/62/70/421096270.db2.gz TXGGSLWQMBYWCT-HNNXBMFYSA-N 1 1 319.365 1.199 20 5 DDBDMO CC(C)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000488012768 421063246 /nfs/dbraw/zinc/06/32/46/421063246.db2.gz UYKPOJNDOMZEAV-HNNXBMFYSA-N 1 1 320.393 1.466 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450334042 421184715 /nfs/dbraw/zinc/18/47/15/421184715.db2.gz HNSWZBZZPPIRDK-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450334042 421184721 /nfs/dbraw/zinc/18/47/21/421184721.db2.gz HNSWZBZZPPIRDK-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450334042 421184725 /nfs/dbraw/zinc/18/47/25/421184725.db2.gz HNSWZBZZPPIRDK-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO Nc1ncccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450569989 421210903 /nfs/dbraw/zinc/21/09/03/421210903.db2.gz OSNOIKFLBHOKLI-GFCCVEGCSA-N 1 1 314.349 1.653 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450483682 421202503 /nfs/dbraw/zinc/20/25/03/421202503.db2.gz JWZOTTMKVKLWLF-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000561143776 421308047 /nfs/dbraw/zinc/30/80/47/421308047.db2.gz HVASKMYVXCWKIE-JTQLQIEISA-N 1 1 320.349 1.673 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000525670435 421293875 /nfs/dbraw/zinc/29/38/75/421293875.db2.gz SRLYMIRLCGSBTC-AWEZNQCLSA-N 1 1 305.378 1.984 20 5 DDBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000548058509 421394547 /nfs/dbraw/zinc/39/45/47/421394547.db2.gz RIADYHQBPWQEQU-WDEREUQCSA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCC[C@H](C)C1 ZINC000518772204 421667324 /nfs/dbraw/zinc/66/73/24/421667324.db2.gz ZYNLXLMVKZXSSG-NWDGAFQWSA-N 1 1 308.382 1.784 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000584239710 422293287 /nfs/dbraw/zinc/29/32/87/422293287.db2.gz JPPKYBMCJRXAON-MRXNPFEDSA-N 1 1 305.378 1.891 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000314967611 271013460 /nfs/dbraw/zinc/01/34/60/271013460.db2.gz VTBKJEQTIOQRJM-NSHDSACASA-N 1 1 306.366 1.836 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000341577007 271126030 /nfs/dbraw/zinc/12/60/30/271126030.db2.gz MGTIZMYRDGTDPE-MRXNPFEDSA-N 1 1 321.377 1.649 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408145509 274332804 /nfs/dbraw/zinc/33/28/04/274332804.db2.gz SQIVLRNPNWHDPA-SECBINFHSA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408145509 274332807 /nfs/dbraw/zinc/33/28/07/274332807.db2.gz SQIVLRNPNWHDPA-SECBINFHSA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1C1CC1 ZINC000133535796 274395084 /nfs/dbraw/zinc/39/50/84/274395084.db2.gz DVHHENDGNCALHP-RKDXNWHRSA-N 1 1 305.338 1.126 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000264724731 277134595 /nfs/dbraw/zinc/13/45/95/277134595.db2.gz YIZGJJHDQTZMRV-JTQLQIEISA-N 1 1 321.333 1.048 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000292307932 277159501 /nfs/dbraw/zinc/15/95/01/277159501.db2.gz NDSGJJRGPBQLAQ-MRXNPFEDSA-N 1 1 319.361 1.528 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364037512 300337323 /nfs/dbraw/zinc/33/73/23/300337323.db2.gz AUDMSVYTBQDMMM-OLZOCXBDSA-N 1 1 321.381 1.233 20 5 DDBDMO COCC[C@H]1CCCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000364151087 300350721 /nfs/dbraw/zinc/35/07/21/300350721.db2.gz QEMYKPZMODIEJV-CQSZACIVSA-N 1 1 323.393 1.895 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000364452438 300398885 /nfs/dbraw/zinc/39/88/85/300398885.db2.gz FFKIFNHVHFXAQD-LLVKDONJSA-N 1 1 318.377 1.924 20 5 DDBDMO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973692 301114560 /nfs/dbraw/zinc/11/45/60/301114560.db2.gz KZIZBVIZJKFZQW-KCQAQPDRSA-N 1 1 303.362 1.989 20 5 DDBDMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000368973692 301114561 /nfs/dbraw/zinc/11/45/61/301114561.db2.gz KZIZBVIZJKFZQW-KCQAQPDRSA-N 1 1 303.362 1.989 20 5 DDBDMO Cc1nn(C)c(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000369361437 301172290 /nfs/dbraw/zinc/17/22/90/301172290.db2.gz DOOUWPZYEHTIDV-LLVKDONJSA-N 1 1 304.354 1.754 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)[C@@H]2C1 ZINC000376729425 302093426 /nfs/dbraw/zinc/09/34/26/302093426.db2.gz PXEDNAJFFKGDME-ZWNOBZJWSA-N 1 1 307.325 1.900 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377609306 302198171 /nfs/dbraw/zinc/19/81/71/302198171.db2.gz YAMCTOPAPXSLHG-NSHDSACASA-N 1 1 307.350 1.691 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651845 302203893 /nfs/dbraw/zinc/20/38/93/302203893.db2.gz KGAWZKZZVPQTKD-JKSUJKDBSA-N 1 1 308.378 1.969 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@H+](C)CCN1C ZINC000531970539 303268189 /nfs/dbraw/zinc/26/81/89/303268189.db2.gz CRTUHCUNKJGXHM-DZGCQCFKSA-N 1 1 306.410 1.800 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000362080130 307013164 /nfs/dbraw/zinc/01/31/64/307013164.db2.gz JVAFAVVYXFCJES-GFCCVEGCSA-N 1 1 306.366 1.917 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]n1 ZINC000363366753 307026660 /nfs/dbraw/zinc/02/66/60/307026660.db2.gz JRRSYQMPHPLBTH-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000363366753 307026661 /nfs/dbraw/zinc/02/66/61/307026661.db2.gz JRRSYQMPHPLBTH-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000363366753 307026662 /nfs/dbraw/zinc/02/66/62/307026662.db2.gz JRRSYQMPHPLBTH-LBPRGKRZSA-N 1 1 304.354 1.702 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368813320 307110393 /nfs/dbraw/zinc/11/03/93/307110393.db2.gz FLKNFBMWDIWPML-UJAVWCLSSA-N 1 1 303.362 1.624 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000368813320 307110394 /nfs/dbraw/zinc/11/03/94/307110394.db2.gz FLKNFBMWDIWPML-UJAVWCLSSA-N 1 1 303.362 1.624 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373514604 307189726 /nfs/dbraw/zinc/18/97/26/307189726.db2.gz UYZVHVCRXBTXFZ-GXFFZTMASA-N 1 1 305.334 1.379 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373514604 307189727 /nfs/dbraw/zinc/18/97/27/307189727.db2.gz UYZVHVCRXBTXFZ-GXFFZTMASA-N 1 1 305.334 1.379 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373907805 307198046 /nfs/dbraw/zinc/19/80/46/307198046.db2.gz GQMQEIDHNYGMMN-ZBFHGGJFSA-N 1 1 322.361 1.181 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)n1 ZINC000375965525 307236406 /nfs/dbraw/zinc/23/64/06/307236406.db2.gz YBOCJQKLDCDFIX-OAHLLOKOSA-N 1 1 320.324 1.524 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000565959803 308039442 /nfs/dbraw/zinc/03/94/42/308039442.db2.gz TUVSDFDDUUNSQC-NSHDSACASA-N 1 1 304.350 1.216 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571204617 308192454 /nfs/dbraw/zinc/19/24/54/308192454.db2.gz NSGUFUCALMVFLC-DOMZBBRYSA-N 1 1 319.361 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571204617 308192455 /nfs/dbraw/zinc/19/24/55/308192455.db2.gz NSGUFUCALMVFLC-DOMZBBRYSA-N 1 1 319.361 1.953 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000576610776 308327315 /nfs/dbraw/zinc/32/73/15/308327315.db2.gz PPCGYPSVCCBADJ-NSHDSACASA-N 1 1 309.370 1.275 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000576883446 308346651 /nfs/dbraw/zinc/34/66/51/308346651.db2.gz WUYLIBULGGRKFA-LBPRGKRZSA-N 1 1 301.350 1.751 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000582676590 337121057 /nfs/dbraw/zinc/12/10/57/337121057.db2.gz ZSRNMHXSLDRRIA-SNVBAGLBSA-N 1 1 317.349 1.429 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000584435353 337325578 /nfs/dbraw/zinc/32/55/78/337325578.db2.gz CYYVTTDOWYKKIZ-CYBMUJFWSA-N 1 1 321.377 1.762 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488807091 484220164 /nfs/dbraw/zinc/22/01/64/484220164.db2.gz OFNZCSBCJPLCLI-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488807091 484220171 /nfs/dbraw/zinc/22/01/71/484220171.db2.gz OFNZCSBCJPLCLI-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO COC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136808270 500787578 /nfs/dbraw/zinc/78/75/78/500787578.db2.gz NULWSPSWONPSNB-AWEZNQCLSA-N 1 1 308.334 1.513 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000305762765 534031612 /nfs/dbraw/zinc/03/16/12/534031612.db2.gz NDMHONBHJREZFC-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000305816307 534108967 /nfs/dbraw/zinc/10/89/67/534108967.db2.gz ADQQDBQSJZQXCX-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416994083 534355303 /nfs/dbraw/zinc/35/53/03/534355303.db2.gz JIJLEUREDYTDBI-NEPJUHHUSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000416994083 534355308 /nfs/dbraw/zinc/35/53/08/534355308.db2.gz JIJLEUREDYTDBI-NEPJUHHUSA-N 1 1 322.365 1.514 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459602184 528036576 /nfs/dbraw/zinc/03/65/76/528036576.db2.gz YUJKAKQQBIEKMZ-UHFFFAOYSA-N 1 1 305.338 1.475 20 5 DDBDMO CCOc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419007326 528314636 /nfs/dbraw/zinc/31/46/36/528314636.db2.gz RKITYCALSFULKG-STQMWFEESA-N 1 1 323.393 1.885 20 5 DDBDMO CC(C)[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000292873489 528626747 /nfs/dbraw/zinc/62/67/47/528626747.db2.gz HVBRQFVAFYDCIO-HNNXBMFYSA-N 1 1 321.377 1.370 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302625406 528823741 /nfs/dbraw/zinc/82/37/41/528823741.db2.gz HXLLMTKJGBDZEB-UHFFFAOYSA-N 1 1 315.395 1.750 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736569966 598628119 /nfs/dbraw/zinc/62/81/19/598628119.db2.gz LTRSPIFMSNMUKB-UHFFFAOYSA-N 1 1 317.353 1.307 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736846696 598797533 /nfs/dbraw/zinc/79/75/33/598797533.db2.gz ALQRNZIWPALNDW-SNVBAGLBSA-N 1 1 317.353 1.163 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000824992261 608554969 /nfs/dbraw/zinc/55/49/69/608554969.db2.gz LDGWTFLUANGXPZ-VHSXEESVSA-N 1 1 317.353 1.304 20 5 DDBDMO CCOCC[NH+]1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000111164270 696642431 /nfs/dbraw/zinc/64/24/31/696642431.db2.gz FKRRDOUMVLMHIV-UHFFFAOYSA-N 1 1 311.386 1.020 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197736 700127945 /nfs/dbraw/zinc/12/79/45/700127945.db2.gz HWWXMFINDHZMAN-CYBMUJFWSA-N 1 1 314.345 1.641 20 5 DDBDMO C[N@H+](C[C@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000176096183 697401306 /nfs/dbraw/zinc/40/13/06/697401306.db2.gz FQKUCBQOQHYENE-SNVBAGLBSA-N 1 1 307.306 1.429 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000176096183 697401307 /nfs/dbraw/zinc/40/13/07/697401307.db2.gz FQKUCBQOQHYENE-SNVBAGLBSA-N 1 1 307.306 1.429 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594042 698124705 /nfs/dbraw/zinc/12/47/05/698124705.db2.gz RZAKMXGHKGMOAD-CJNGLKHVSA-N 1 1 321.377 1.428 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000780868435 698566345 /nfs/dbraw/zinc/56/63/45/698566345.db2.gz XFLZNWXWKOGPJT-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CN1CC[N@H+](C)C[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000731947251 699542247 /nfs/dbraw/zinc/54/22/47/699542247.db2.gz BOIQHLTZPRIKBG-CYBMUJFWSA-N 1 1 323.422 1.127 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000731947251 699542249 /nfs/dbraw/zinc/54/22/49/699542249.db2.gz BOIQHLTZPRIKBG-CYBMUJFWSA-N 1 1 323.422 1.127 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000734484598 699652757 /nfs/dbraw/zinc/65/27/57/699652757.db2.gz ARAGIMNWYGUZJJ-JTQLQIEISA-N 1 1 305.338 1.909 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794710633 699826576 /nfs/dbraw/zinc/82/65/76/699826576.db2.gz HPMPSGBWVFMPDA-OAHLLOKOSA-N 1 1 317.349 1.408 20 5 DDBDMO CN1CC[NH+](CCCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000743287584 699905766 /nfs/dbraw/zinc/90/57/66/699905766.db2.gz HLAFGWIFSXXPBN-UHFFFAOYSA-N 1 1 318.381 1.292 20 5 DDBDMO COCCC[N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752791024 700388030 /nfs/dbraw/zinc/38/80/30/700388030.db2.gz YOIYWDDOVGLFHU-UHFFFAOYSA-N 1 1 322.365 1.763 20 5 DDBDMO COCCC[N@@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752791024 700388035 /nfs/dbraw/zinc/38/80/35/700388035.db2.gz YOIYWDDOVGLFHU-UHFFFAOYSA-N 1 1 322.365 1.763 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000768770144 701201375 /nfs/dbraw/zinc/20/13/75/701201375.db2.gz SEHCUZDMDSHCMF-UFBFGSQYSA-N 1 1 313.741 1.499 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000768770144 701201378 /nfs/dbraw/zinc/20/13/78/701201378.db2.gz SEHCUZDMDSHCMF-UFBFGSQYSA-N 1 1 313.741 1.499 20 5 DDBDMO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839648743 701765856 /nfs/dbraw/zinc/76/58/56/701765856.db2.gz RASSYBGZPSUVGH-MRVWCRGKSA-N 1 1 305.378 1.897 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839684628 701782579 /nfs/dbraw/zinc/78/25/79/701782579.db2.gz YAFABQJYWLYJIZ-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684628 701782584 /nfs/dbraw/zinc/78/25/84/701782584.db2.gz YAFABQJYWLYJIZ-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684628 701782591 /nfs/dbraw/zinc/78/25/91/701782591.db2.gz YAFABQJYWLYJIZ-RBSFLKMASA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CC[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867956012 701852958 /nfs/dbraw/zinc/85/29/58/701852958.db2.gz JRGPGFAYQNYDMO-CVEARBPZSA-N 1 1 319.361 1.408 20 5 DDBDMO C[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982282 701889352 /nfs/dbraw/zinc/88/93/52/701889352.db2.gz CDAARUKHQXQVKT-NHYWBVRUSA-N 1 1 305.334 1.831 20 5 DDBDMO C[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982282 701889357 /nfs/dbraw/zinc/88/93/57/701889357.db2.gz CDAARUKHQXQVKT-NHYWBVRUSA-N 1 1 305.334 1.831 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000816648796 702135751 /nfs/dbraw/zinc/13/57/51/702135751.db2.gz PKBBDSZNQRQBQE-MNOVXSKESA-N 1 1 308.334 1.987 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000816648796 702135752 /nfs/dbraw/zinc/13/57/52/702135752.db2.gz PKBBDSZNQRQBQE-MNOVXSKESA-N 1 1 308.334 1.987 20 5 DDBDMO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843365766 702867101 /nfs/dbraw/zinc/86/71/01/702867101.db2.gz RPCIXLZEMSHCPG-GHMZBOCLSA-N 1 1 324.356 1.732 20 5 DDBDMO CN1C[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1=O ZINC000846920834 703351932 /nfs/dbraw/zinc/35/19/32/703351932.db2.gz OHDNONXBUJAWFG-KGLIPLIRSA-N 1 1 307.350 1.181 20 5 DDBDMO CON1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000846971038 703359121 /nfs/dbraw/zinc/35/91/21/703359121.db2.gz JAJIWQPXISBBBR-UHFFFAOYSA-N 1 1 308.338 1.102 20 5 DDBDMO C[N@H+]1CC[C@@H](CCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000847829081 703474501 /nfs/dbraw/zinc/47/45/01/703474501.db2.gz WGCFVLPKXWUWTN-JTQLQIEISA-N 1 1 322.317 1.822 20 5 DDBDMO COc1ccnc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1F ZINC000849331216 703635927 /nfs/dbraw/zinc/63/59/27/703635927.db2.gz NHBJMXQVNVFNQA-CYBMUJFWSA-N 1 1 321.308 1.961 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852695531 704101636 /nfs/dbraw/zinc/10/16/36/704101636.db2.gz AKLUASHTLRPSKU-YUTCNCBUSA-N 1 1 308.334 1.512 20 5 DDBDMO CCc1nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])co1 ZINC000819357656 704112621 /nfs/dbraw/zinc/11/26/21/704112621.db2.gz URTXGBIYNDZPHM-GFCCVEGCSA-N 1 1 321.333 1.675 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC000853585907 704276023 /nfs/dbraw/zinc/27/60/23/704276023.db2.gz KVEJXANPJLIGQZ-STQMWFEESA-N 1 1 302.334 1.870 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC4(COC4)C3)n2)c1 ZINC000853598259 704281934 /nfs/dbraw/zinc/28/19/34/704281934.db2.gz QADJDNJYLHFGBV-UHFFFAOYSA-N 1 1 315.333 1.533 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC4(COC4)C3)n2)c1 ZINC000853598259 704281935 /nfs/dbraw/zinc/28/19/35/704281935.db2.gz QADJDNJYLHFGBV-UHFFFAOYSA-N 1 1 315.333 1.533 20 5 DDBDMO Cc1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853965077 704341380 /nfs/dbraw/zinc/34/13/80/704341380.db2.gz DLYYIRYQHBVFKB-AWEZNQCLSA-N 1 1 305.378 1.939 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853966234 704341837 /nfs/dbraw/zinc/34/18/37/704341837.db2.gz QKCVPHRRPMETOK-OAHLLOKOSA-N 1 1 305.378 1.939 20 5 DDBDMO O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000821587770 704425229 /nfs/dbraw/zinc/42/52/29/704425229.db2.gz LSTJTGRJTJTNMT-TXEJJXNPSA-N 1 1 306.318 1.615 20 5 DDBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000823130188 705148261 /nfs/dbraw/zinc/14/82/61/705148261.db2.gz VRWYNQLYUVLKFJ-VXGBXAGGSA-N 1 1 301.387 1.047 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000860436376 705186430 /nfs/dbraw/zinc/18/64/30/705186430.db2.gz DGNSGVBNYVACOW-UHFFFAOYSA-N 1 1 300.318 1.685 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823945267 705343380 /nfs/dbraw/zinc/34/33/80/705343380.db2.gz NHOQYHUHKBRMLT-UHFFFAOYSA-N 1 1 318.337 1.894 20 5 DDBDMO Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000823994247 705351617 /nfs/dbraw/zinc/35/16/17/705351617.db2.gz ORGMDZKJXOJPSI-LBPRGKRZSA-N 1 1 319.365 1.783 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471956 705677308 /nfs/dbraw/zinc/67/73/08/705677308.db2.gz FVZGOJPTJOZFHC-DOMZBBRYSA-N 1 1 321.377 1.475 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615411 705703390 /nfs/dbraw/zinc/70/33/90/705703390.db2.gz VOVQYDSIGGGLGZ-BXUZGUMPSA-N 1 1 309.366 1.475 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000862788447 705798110 /nfs/dbraw/zinc/79/81/10/705798110.db2.gz CVSGDGAAHYKAMU-LLVKDONJSA-N 1 1 306.366 1.639 20 5 DDBDMO CN(C)CC[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881802836 707371143 /nfs/dbraw/zinc/37/11/43/707371143.db2.gz UIWINAGEQKIXMM-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000829010298 706272739 /nfs/dbraw/zinc/27/27/39/706272739.db2.gz QSNWXBXOLLZBGI-TXEJJXNPSA-N 1 1 322.321 1.778 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880144960 706890818 /nfs/dbraw/zinc/89/08/18/706890818.db2.gz KTKRTJQWOXDMGX-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000880144960 706890822 /nfs/dbraw/zinc/89/08/22/706890822.db2.gz KTKRTJQWOXDMGX-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000832359071 706897067 /nfs/dbraw/zinc/89/70/67/706897067.db2.gz BTCDHDOMXOUJHS-BXUZGUMPSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000832359071 706897070 /nfs/dbraw/zinc/89/70/70/706897070.db2.gz BTCDHDOMXOUJHS-BXUZGUMPSA-N 1 1 307.350 1.181 20 5 DDBDMO COCC1([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000880187367 706905451 /nfs/dbraw/zinc/90/54/51/706905451.db2.gz JUIIYNANDAUWEL-CQSZACIVSA-N 1 1 324.377 1.835 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000880428828 706972473 /nfs/dbraw/zinc/97/24/73/706972473.db2.gz SLXGGNNUNXYSAF-GJZGRUSLSA-N 1 1 310.350 1.709 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000832779266 706981877 /nfs/dbraw/zinc/98/18/77/706981877.db2.gz XRTXKDJKJWBEET-ZNMIVQPWSA-N 1 1 306.362 1.985 20 5 DDBDMO C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036705 707284381 /nfs/dbraw/zinc/28/43/81/707284381.db2.gz VKXWGKMFSIKDOI-VXGBXAGGSA-N 1 1 310.373 1.630 20 5 DDBDMO [NH3+]C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872149837 707303445 /nfs/dbraw/zinc/30/34/45/707303445.db2.gz RDVSDIJLSMKBSJ-KOLCDFICSA-N 1 1 319.283 1.869 20 5 DDBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1O ZINC000872259607 707352617 /nfs/dbraw/zinc/35/26/17/707352617.db2.gz YMOHCHLOSOFCAR-CFVMTHIKSA-N 1 1 321.377 1.238 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266959 707356183 /nfs/dbraw/zinc/35/61/83/707356183.db2.gz IUNSXZFYRPVYQN-CABCVRRESA-N 1 1 321.377 1.571 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000883170360 707946631 /nfs/dbraw/zinc/94/66/31/707946631.db2.gz RSHCSJCGJJDBDX-LBPRGKRZSA-N 1 1 322.365 1.497 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000883468558 708009939 /nfs/dbraw/zinc/00/99/39/708009939.db2.gz WHFFAAJYPHVNAU-ZDUSSCGKSA-N 1 1 306.366 1.531 20 5 DDBDMO Nc1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219936 708258031 /nfs/dbraw/zinc/25/80/31/708258031.db2.gz QIXSAFORLSYVGA-QWHCGFSZSA-N 1 1 306.366 1.212 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221369 708259315 /nfs/dbraw/zinc/25/93/15/708259315.db2.gz MBDSGDKSQTZXHM-CHWSQXEVSA-N 1 1 323.397 1.155 20 5 DDBDMO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221298 708259516 /nfs/dbraw/zinc/25/95/16/708259516.db2.gz KYGCWZGFLOFPIZ-ZIAGYGMSSA-N 1 1 321.377 1.639 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000886596151 708788006 /nfs/dbraw/zinc/78/80/06/708788006.db2.gz XTEOVYIALDRROZ-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000886596151 708788008 /nfs/dbraw/zinc/78/80/08/708788008.db2.gz XTEOVYIALDRROZ-LLVKDONJSA-N 1 1 309.370 1.131 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267539 709512464 /nfs/dbraw/zinc/51/24/64/709512464.db2.gz HQYHBQJVYCXDMH-VZJVUDMVSA-N 1 1 307.350 1.227 20 5 DDBDMO CC[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910283417 709864487 /nfs/dbraw/zinc/86/44/87/709864487.db2.gz ZHRKATIYLLXRTA-NSHDSACASA-N 1 1 307.350 1.857 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910283417 709864489 /nfs/dbraw/zinc/86/44/89/709864489.db2.gz ZHRKATIYLLXRTA-NSHDSACASA-N 1 1 307.350 1.857 20 5 DDBDMO COc1c(O)ccc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000891941324 710333950 /nfs/dbraw/zinc/33/39/50/710333950.db2.gz WGEXUYHLQFHFFF-ZDUSSCGKSA-N 1 1 321.377 1.978 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000892418317 710434118 /nfs/dbraw/zinc/43/41/18/710434118.db2.gz OSNFMOFLKVKIJN-GFCCVEGCSA-N 1 1 306.366 1.736 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+]1C ZINC000928438601 713195910 /nfs/dbraw/zinc/19/59/10/713195910.db2.gz GIDSEGYKKFEHRN-JOYOIKCWSA-N 1 1 324.356 1.622 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913397270 713208099 /nfs/dbraw/zinc/20/80/99/713208099.db2.gz BIFRGUYAMVGVJV-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1[N+](=O)[O-] ZINC000895952778 711654592 /nfs/dbraw/zinc/65/45/92/711654592.db2.gz JIYDAUGFZBETCU-NSHDSACASA-N 1 1 310.350 1.902 20 5 DDBDMO CC1(C)[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000895977496 711659208 /nfs/dbraw/zinc/65/92/08/711659208.db2.gz GIHFVBYCDHPOSM-IYNGYCSASA-N 1 1 310.375 1.773 20 5 DDBDMO C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000907220865 712515734 /nfs/dbraw/zinc/51/57/34/712515734.db2.gz LOQINPUUOFGZEF-GFCCVEGCSA-N 1 1 320.393 1.265 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000914325478 713378843 /nfs/dbraw/zinc/37/88/43/713378843.db2.gz LECWURGBXPVETF-RISCZKNCSA-N 1 1 306.366 1.529 20 5 DDBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCCC2)C1=O ZINC000915790430 713431426 /nfs/dbraw/zinc/43/14/26/713431426.db2.gz XCIQXLWTAXVTCZ-HNNXBMFYSA-N 1 1 318.333 1.415 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000930544326 713862955 /nfs/dbraw/zinc/86/29/55/713862955.db2.gz FZPHLQURULSURK-NWDGAFQWSA-N 1 1 323.397 1.336 20 5 DDBDMO CN(C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931281563 714056220 /nfs/dbraw/zinc/05/62/20/714056220.db2.gz UHXCQFNOWNRQFW-FOLVSLTJSA-N 1 1 318.377 1.415 20 5 DDBDMO CN(C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931281563 714056223 /nfs/dbraw/zinc/05/62/23/714056223.db2.gz UHXCQFNOWNRQFW-FOLVSLTJSA-N 1 1 318.377 1.415 20 5 DDBDMO C[C@@H]1[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000922556758 714087799 /nfs/dbraw/zinc/08/77/99/714087799.db2.gz JKTKCGRYKMGLSF-ZYHUDNBSSA-N 1 1 307.350 1.548 20 5 DDBDMO C[C@@H]1[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000922556758 714087803 /nfs/dbraw/zinc/08/78/03/714087803.db2.gz JKTKCGRYKMGLSF-ZYHUDNBSSA-N 1 1 307.350 1.548 20 5 DDBDMO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557337 714087981 /nfs/dbraw/zinc/08/79/81/714087981.db2.gz OEOVQLIWOIYUAL-CMPLNLGQSA-N 1 1 309.366 1.794 20 5 DDBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000922557337 714087984 /nfs/dbraw/zinc/08/79/84/714087984.db2.gz OEOVQLIWOIYUAL-CMPLNLGQSA-N 1 1 309.366 1.794 20 5 DDBDMO Cn1ccc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000932136161 714268593 /nfs/dbraw/zinc/26/85/93/714268593.db2.gz OXPIYTLEJBWOGQ-GFCCVEGCSA-N 1 1 304.354 1.404 20 5 DDBDMO Cn1nccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932267314 714295957 /nfs/dbraw/zinc/29/59/57/714295957.db2.gz OBTGHXZFZOPXMA-AWEZNQCLSA-N 1 1 317.349 1.327 20 5 DDBDMO Cn1nccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932267314 714295959 /nfs/dbraw/zinc/29/59/59/714295959.db2.gz OBTGHXZFZOPXMA-AWEZNQCLSA-N 1 1 317.349 1.327 20 5 DDBDMO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)ccc1[N+](=O)[O-] ZINC000923294844 714300493 /nfs/dbraw/zinc/30/04/93/714300493.db2.gz OUCRWJOKNJXYRL-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1 ZINC000923298889 714302076 /nfs/dbraw/zinc/30/20/76/714302076.db2.gz LWSSVLNWJJHFPX-NEPJUHHUSA-N 1 1 319.361 1.912 20 5 DDBDMO CC(C)(CCc1noc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1)[N+](=O)[O-] ZINC000924079308 714522097 /nfs/dbraw/zinc/52/20/97/714522097.db2.gz UPRLWAYAHFVBOW-MNOVXSKESA-N 1 1 310.354 1.593 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000935693903 715118398 /nfs/dbraw/zinc/11/83/98/715118398.db2.gz DRRDRDRBMWDWKK-LQKXBSAESA-N 1 1 315.373 1.718 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946589388 718844184 /nfs/dbraw/zinc/84/41/84/718844184.db2.gz WUGBQCNAAVGODS-LXTVHRRPSA-N 1 1 307.394 1.232 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946589388 718844187 /nfs/dbraw/zinc/84/41/87/718844187.db2.gz WUGBQCNAAVGODS-LXTVHRRPSA-N 1 1 307.394 1.232 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946589388 718844192 /nfs/dbraw/zinc/84/41/92/718844192.db2.gz WUGBQCNAAVGODS-LXTVHRRPSA-N 1 1 307.394 1.232 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932527 721853911 /nfs/dbraw/zinc/85/39/11/721853911.db2.gz YQVAGGKZVBCUMK-OLZOCXBDSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932527 721853912 /nfs/dbraw/zinc/85/39/12/721853912.db2.gz YQVAGGKZVBCUMK-OLZOCXBDSA-N 1 1 305.382 1.204 20 5 DDBDMO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035704653 751790981 /nfs/dbraw/zinc/79/09/81/751790981.db2.gz VROPVRKBJBLKPI-ZIAGYGMSSA-N 1 1 307.394 1.542 20 5 DDBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3nc(C(F)F)no3)C2)c1 ZINC001183219171 743798937 /nfs/dbraw/zinc/79/89/37/743798937.db2.gz VOWWNVIKNIYAFL-UHFFFAOYSA-N 1 1 314.252 1.605 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC001129080696 751247151 /nfs/dbraw/zinc/24/71/51/751247151.db2.gz VGECPZAUWXQULS-MIGQKNRLSA-N 1 1 315.373 1.861 20 5 DDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169007214 762175092 /nfs/dbraw/zinc/17/50/92/762175092.db2.gz LWUCKTKQSZHBRU-LXTVHRRPSA-N 1 1 317.389 1.713 20 5 DDBDMO O=C(c1ccco1)N1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169037072 762192571 /nfs/dbraw/zinc/19/25/71/762192571.db2.gz IOZMOAPQUFWNIL-KBPBESRZSA-N 1 1 321.377 1.873 20 5 DDBDMO COC[C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169026720 762203087 /nfs/dbraw/zinc/20/30/87/762203087.db2.gz NLIUFLOZFOOPOV-MCIONIFRSA-N 1 1 308.382 1.407 20 5 DDBDMO Cc1nonc1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156087860 761784333 /nfs/dbraw/zinc/78/43/33/761784333.db2.gz NPIPAKWCMWLLTI-SNAWJCMRSA-N 1 1 304.310 1.826 20 5 DDBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001121698900 782633066 /nfs/dbraw/zinc/63/30/66/782633066.db2.gz LUVJVWAONGESML-QJPTWQEYSA-N 1 1 308.386 1.166 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001170898489 771897890 /nfs/dbraw/zinc/89/78/90/771897890.db2.gz OIEMRAQAFNCPPQ-ZETCQYMHSA-N 1 1 300.750 1.351 20 5 DDBDMO COC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(F)(F)F ZINC001171014270 772099848 /nfs/dbraw/zinc/09/98/48/772099848.db2.gz CKYPIIAZIJOJHF-SNVBAGLBSA-N 1 1 319.239 1.714 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136922228 772211366 /nfs/dbraw/zinc/21/13/66/772211366.db2.gz AMYYMIPUZRVKFL-IINYFYTJSA-N 1 1 306.366 1.589 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCn3cnnc3C1)CC2 ZINC001172908076 776917790 /nfs/dbraw/zinc/91/77/90/776917790.db2.gz KQVVXFMEMDNRJN-CQSZACIVSA-N 1 1 313.361 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CCn3cnnc3C1)CC2 ZINC001172908076 776917793 /nfs/dbraw/zinc/91/77/93/776917793.db2.gz KQVVXFMEMDNRJN-CQSZACIVSA-N 1 1 313.361 1.950 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001173222731 777055760 /nfs/dbraw/zinc/05/57/60/777055760.db2.gz UZRGCJRGYOHNDL-KCXAZCMYSA-N 1 1 308.378 1.591 20 5 DDBDMO CCn1nnc(C)c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323804 777751155 /nfs/dbraw/zinc/75/11/55/777751155.db2.gz PUPMPLXFGWQXMQ-OAHLLOKOSA-N 1 1 319.365 1.512 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001116491570 780514998 /nfs/dbraw/zinc/51/49/98/780514998.db2.gz UITGZBNXQJEUAI-RISCZKNCSA-N 1 1 307.350 1.216 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001118921841 781273249 /nfs/dbraw/zinc/27/32/49/781273249.db2.gz GPVGBVZAMLEKJT-CYBMUJFWSA-N 1 1 321.352 1.973 20 5 DDBDMO O=C(NCC[N@@H+](CCc1cccs1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267326317 837831304 /nfs/dbraw/zinc/83/13/04/837831304.db2.gz UMAVRQSPQPUUNP-ZIAGYGMSSA-N 1 1 323.418 1.536 20 5 DDBDMO O=C(NCC[N@H+](CCc1cccs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326317 837831320 /nfs/dbraw/zinc/83/13/20/837831320.db2.gz UMAVRQSPQPUUNP-ZIAGYGMSSA-N 1 1 323.418 1.536 20 5 DDBDMO O=C(NCC[N@@H+](CCc1cccs1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267326317 837831332 /nfs/dbraw/zinc/83/13/32/837831332.db2.gz UMAVRQSPQPUUNP-ZIAGYGMSSA-N 1 1 323.418 1.536 20 5 DDBDMO CC(C)(F)C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001267673388 838620539 /nfs/dbraw/zinc/62/05/39/838620539.db2.gz GBLDWZSDAHYWQQ-UHFFFAOYSA-N 1 1 309.341 1.891 20 5 DDBDMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cnon1 ZINC001268252952 839897978 /nfs/dbraw/zinc/89/79/78/839897978.db2.gz YOMIPLDCYNVKFF-UHFFFAOYSA-N 1 1 319.321 1.182 20 5 DDBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cnon1 ZINC001268252952 839897982 /nfs/dbraw/zinc/89/79/82/839897982.db2.gz YOMIPLDCYNVKFF-UHFFFAOYSA-N 1 1 319.321 1.182 20 5 DDBDMO Cc1noc([C@]23COC[C@H]2C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C3)n1 ZINC001169020000 850518416 /nfs/dbraw/zinc/51/84/16/850518416.db2.gz HMMQDZCPHPEFHA-SFDCQRBFSA-N 1 1 322.365 1.023 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001137138892 851723750 /nfs/dbraw/zinc/72/37/50/851723750.db2.gz RWKBVRRAPIHCRY-UHFFFAOYSA-N 1 1 303.750 1.433 20 5 DDBDMO CN(CCC[NH2+]CCc1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276002752 854127709 /nfs/dbraw/zinc/12/77/09/854127709.db2.gz YBTRGOMLDBVATR-CHWSQXEVSA-N 1 1 311.407 1.394 20 5 DDBDMO COc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001123428075 859232260 /nfs/dbraw/zinc/23/22/60/859232260.db2.gz VCPZRFXRJJVPSH-UHFFFAOYSA-N 1 1 320.349 1.915 20 5 DDBDMO COC(=O)c1ccnc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265913 863694794 /nfs/dbraw/zinc/69/47/94/863694794.db2.gz LIBVLZJHMNBHNH-ZYHUDNBSSA-N 1 1 320.349 1.307 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc(CF)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761615 864110665 /nfs/dbraw/zinc/11/06/65/864110665.db2.gz ULCRSZUBDJNGCT-ZIAGYGMSSA-N 1 1 309.341 1.417 20 5 DDBDMO COc1cc(NCCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC001161708574 866920973 /nfs/dbraw/zinc/92/09/73/866920973.db2.gz NSQIYSPFZGARHB-UHFFFAOYSA-N 1 1 322.409 1.961 20 5 DDBDMO Cc1nc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416543 867267532 /nfs/dbraw/zinc/26/75/32/867267532.db2.gz FZCCCNPWJYPGLN-LBPRGKRZSA-N 1 1 320.397 1.274 20 5 DDBDMO Cc1nc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416543 867267540 /nfs/dbraw/zinc/26/75/40/867267540.db2.gz FZCCCNPWJYPGLN-LBPRGKRZSA-N 1 1 320.397 1.274 20 5 DDBDMO Cc1nc(NCC[C@H]2CC[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001162815862 867849594 /nfs/dbraw/zinc/84/95/94/867849594.db2.gz ZVBRBJBCGNGIDZ-SECBINFHSA-N 1 1 301.297 1.740 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335116698 868075429 /nfs/dbraw/zinc/07/54/29/868075429.db2.gz JMWMXWUYEKKRKK-STQMWFEESA-N 1 1 309.341 1.769 20 5 DDBDMO O=[N+]([O-])c1cc(CO)c(NCc2c[nH+]c3n2CCC3)cc1F ZINC001164146296 868971849 /nfs/dbraw/zinc/97/18/49/868971849.db2.gz SQEOKJAXULRJIR-UHFFFAOYSA-N 1 1 306.297 1.981 20 5 DDBDMO C[N@@H+](C1CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1)[C@@H]1CCOC1 ZINC001165203845 869424756 /nfs/dbraw/zinc/42/47/56/869424756.db2.gz JDYGINPHFZQFQL-SNVBAGLBSA-N 1 1 312.757 1.553 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001166031371 869809074 /nfs/dbraw/zinc/80/90/74/869809074.db2.gz CMBRVJXEMLXRRW-UHFFFAOYSA-N 1 1 323.328 1.763 20 5 DDBDMO C[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226343566 882369537 /nfs/dbraw/zinc/36/95/37/882369537.db2.gz ZSZJKPZHMQHVCL-MRVPVSSYSA-N 1 1 302.128 1.835 20 5 DDBDMO C[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC001226343566 882369557 /nfs/dbraw/zinc/36/95/57/882369557.db2.gz ZSZJKPZHMQHVCL-MRVPVSSYSA-N 1 1 302.128 1.835 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001306922207 871380973 /nfs/dbraw/zinc/38/09/73/871380973.db2.gz IJQSSDRFHYEKGK-PHIMTYICSA-N 1 1 311.386 1.628 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001306922207 871380980 /nfs/dbraw/zinc/38/09/80/871380980.db2.gz IJQSSDRFHYEKGK-PHIMTYICSA-N 1 1 311.386 1.628 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CCC[N@@H+](CC)CC1 ZINC001340884319 871409634 /nfs/dbraw/zinc/40/96/34/871409634.db2.gz LBVUVJGDQRAQDR-UHFFFAOYSA-N 1 1 310.402 1.039 20 5 DDBDMO CC(C)(C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC001308169387 871477485 /nfs/dbraw/zinc/47/74/85/871477485.db2.gz XQDKCRYCKLZLQH-AWEZNQCLSA-N 1 1 323.393 1.894 20 5 DDBDMO CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317872200 871610241 /nfs/dbraw/zinc/61/02/41/871610241.db2.gz LNSAXAIOALDSAJ-HUUCEWRRSA-N 1 1 311.426 1.868 20 5 DDBDMO CC(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001317872200 871610261 /nfs/dbraw/zinc/61/02/61/871610261.db2.gz LNSAXAIOALDSAJ-HUUCEWRRSA-N 1 1 311.426 1.868 20 5 DDBDMO CC(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001317872200 871610274 /nfs/dbraw/zinc/61/02/74/871610274.db2.gz LNSAXAIOALDSAJ-HUUCEWRRSA-N 1 1 311.426 1.868 20 5 DDBDMO CN1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289335 877233809 /nfs/dbraw/zinc/23/38/09/877233809.db2.gz XTBBAZJKTSVQNZ-ZFWWWQNUSA-N 1 1 323.393 1.266 20 5 DDBDMO COc1ccc(NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001219572161 878343832 /nfs/dbraw/zinc/34/38/32/878343832.db2.gz DZABFLAZQBXZLL-YGRLFVJLSA-N 1 1 320.349 1.771 20 5 DDBDMO C[NH+](C)C1(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001356594702 879119007 /nfs/dbraw/zinc/11/90/07/879119007.db2.gz DPLDQXJOBMFSMP-HNNXBMFYSA-N 1 1 323.393 1.329 20 5 DDBDMO CNC(=O)CC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254478457 896455838 /nfs/dbraw/zinc/45/58/38/896455838.db2.gz DRYXWWGIJLCEDK-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO CNC(=O)C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474970 896457110 /nfs/dbraw/zinc/45/71/10/896457110.db2.gz WZECBCMCCKZCBZ-UHFFFAOYSA-N 1 1 306.366 1.241 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(N2CCOCC2)C1 ZINC001254558484 896500968 /nfs/dbraw/zinc/50/09/68/896500968.db2.gz BNHZQHUPRIVVOT-ZDUSSCGKSA-N 1 1 305.378 1.542 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254558374 896501238 /nfs/dbraw/zinc/50/12/38/896501238.db2.gz FUOYAEFTABCYJB-MUYACECFSA-N 1 1 304.346 1.877 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCN3CCOC[C@@H]3C1)C2 ZINC001254593128 896520936 /nfs/dbraw/zinc/52/09/36/896520936.db2.gz ISWKNAHUSOXPGB-HOTGVXAUSA-N 1 1 303.362 1.078 20 5 DDBDMO O=C1NCC[C@@]12CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594365 896522676 /nfs/dbraw/zinc/52/26/76/896522676.db2.gz QIINQQHGKCDKHJ-HOCLYGCPSA-N 1 1 301.346 1.274 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001262826141 900387801 /nfs/dbraw/zinc/38/78/01/900387801.db2.gz CTNNKWSMTICKHI-IACUBPJLSA-N 1 1 303.362 1.973 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452093836 231299546 /nfs/dbraw/zinc/29/95/46/231299546.db2.gz JHBLFBMSSKEWGM-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000452093836 231299550 /nfs/dbraw/zinc/29/95/50/231299550.db2.gz JHBLFBMSSKEWGM-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452133110 231315869 /nfs/dbraw/zinc/31/58/69/231315869.db2.gz RNMQEQXCAAPJPH-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000614934636 362084961 /nfs/dbraw/zinc/08/49/61/362084961.db2.gz AVLKBCQZAONQOU-SNVBAGLBSA-N 1 1 308.338 1.819 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ncccc2F)c1 ZINC000563704687 303971849 /nfs/dbraw/zinc/97/18/49/303971849.db2.gz ASLCXXANTGXRMN-GFCCVEGCSA-N 1 1 321.308 1.658 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC000272768230 210172785 /nfs/dbraw/zinc/17/27/85/210172785.db2.gz WYWNPNRHLXLBQG-MFKMUULPSA-N 1 1 305.338 1.548 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000305358543 529984341 /nfs/dbraw/zinc/98/43/41/529984341.db2.gz SOPUEKVHUQRGKX-TZMCWYRMSA-N 1 1 307.350 1.287 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000289935668 282351068 /nfs/dbraw/zinc/35/10/68/282351068.db2.gz WSKUUJVFTQVNRJ-UHFFFAOYSA-N 1 1 322.365 1.299 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000459478464 530060379 /nfs/dbraw/zinc/06/03/79/530060379.db2.gz IROMDBQKDQRXBC-LLVKDONJSA-N 1 1 307.354 1.265 20 5 DDBDMO CCn1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000616786190 362818874 /nfs/dbraw/zinc/81/88/74/362818874.db2.gz NXBYJUKGJFPNBT-AWEZNQCLSA-N 1 1 307.354 1.106 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070076795 190855843 /nfs/dbraw/zinc/85/58/43/190855843.db2.gz QNYMVCFDOJRHAQ-UWVGGRQHSA-N 1 1 313.379 1.274 20 5 DDBDMO C[C@H](CCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272563999 209978205 /nfs/dbraw/zinc/97/82/05/209978205.db2.gz UQLKYNDKOSPJNU-RISCZKNCSA-N 1 1 304.350 1.778 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[N@@H+]1CC=CCC1 ZINC000279943607 215257879 /nfs/dbraw/zinc/25/78/79/215257879.db2.gz HUHUWTDMMBKHJX-UHFFFAOYSA-N 1 1 323.324 1.491 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682389 186096769 /nfs/dbraw/zinc/09/67/69/186096769.db2.gz PXQXDRABJSXNJL-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682389 186096770 /nfs/dbraw/zinc/09/67/70/186096770.db2.gz PXQXDRABJSXNJL-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCc2n[nH]nc2C1 ZINC000617546955 363170943 /nfs/dbraw/zinc/17/09/43/363170943.db2.gz AOWMKNMGSJJMRE-UHFFFAOYSA-N 1 1 303.322 1.670 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000046056445 352434976 /nfs/dbraw/zinc/43/49/76/352434976.db2.gz ANWLTYKWKRXSLN-AWEZNQCLSA-N 1 1 307.350 1.526 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000066053538 352976231 /nfs/dbraw/zinc/97/62/31/352976231.db2.gz VGZAYJPVIQYCMZ-UHFFFAOYSA-N 1 1 316.361 1.760 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)CC2CC2)c2c(c1)COCO2 ZINC000064516218 352939789 /nfs/dbraw/zinc/93/97/89/352939789.db2.gz VYJHPABFAJSWCP-UHFFFAOYSA-N 1 1 308.334 1.666 20 5 DDBDMO O=C1[C@H]([N@@H+]2CCC[C@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374577 353046014 /nfs/dbraw/zinc/04/60/14/353046014.db2.gz DMYDJBKDOQKKMM-UONOGXRCSA-N 1 1 305.334 1.157 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC[C@H](O)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374577 353046019 /nfs/dbraw/zinc/04/60/19/353046019.db2.gz DMYDJBKDOQKKMM-UONOGXRCSA-N 1 1 305.334 1.157 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331908271 234263037 /nfs/dbraw/zinc/26/30/37/234263037.db2.gz ALQZSRQGYVHPQL-UWVGGRQHSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331908271 234263040 /nfs/dbraw/zinc/26/30/40/234263040.db2.gz ALQZSRQGYVHPQL-UWVGGRQHSA-N 1 1 317.349 1.636 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000067412506 353047518 /nfs/dbraw/zinc/04/75/18/353047518.db2.gz SANZDKMMPVOXTM-CQSZACIVSA-N 1 1 321.377 1.822 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000069046351 353142468 /nfs/dbraw/zinc/14/24/68/353142468.db2.gz GWURMKJEMIRIDW-ZDUSSCGKSA-N 1 1 323.397 1.418 20 5 DDBDMO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000069530358 353166142 /nfs/dbraw/zinc/16/61/42/353166142.db2.gz PWUPQLIXZYUGKU-JTQLQIEISA-N 1 1 313.379 1.497 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000069530358 353166145 /nfs/dbraw/zinc/16/61/45/353166145.db2.gz PWUPQLIXZYUGKU-JTQLQIEISA-N 1 1 313.379 1.497 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000072713607 353210859 /nfs/dbraw/zinc/21/08/59/353210859.db2.gz FZJDZVBFMYRHMB-ZYHUDNBSSA-N 1 1 309.366 1.933 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000074106279 353292529 /nfs/dbraw/zinc/29/25/29/353292529.db2.gz YFQHWOFVDHBDHI-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000174186076 198302799 /nfs/dbraw/zinc/30/27/99/198302799.db2.gz TYGHSUTZQLRCKA-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000074746520 353328544 /nfs/dbraw/zinc/32/85/44/353328544.db2.gz JNNIOAJXXZYKNQ-GFCCVEGCSA-N 1 1 321.381 1.298 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+](CC)CCC)c1[N+](=O)[O-] ZINC000174642610 198363136 /nfs/dbraw/zinc/36/31/36/198363136.db2.gz AUROHECQQDJLRP-UHFFFAOYSA-N 1 1 311.386 1.732 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000174657025 198366737 /nfs/dbraw/zinc/36/67/37/198366737.db2.gz AQCXSAHEEAAVIC-GXSJLCMTSA-N 1 1 322.287 1.427 20 5 DDBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](c2ccccc2)C1 ZINC000076267384 353409452 /nfs/dbraw/zinc/40/94/52/353409452.db2.gz BIXTXNHPBQSVDV-ZDUSSCGKSA-N 1 1 314.349 1.460 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](c2ccccc2)C1 ZINC000076267384 353409457 /nfs/dbraw/zinc/40/94/57/353409457.db2.gz BIXTXNHPBQSVDV-ZDUSSCGKSA-N 1 1 314.349 1.460 20 5 DDBDMO COC(=O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524758 353795101 /nfs/dbraw/zinc/79/51/01/353795101.db2.gz CNGDYGUXHPAYFH-GFCCVEGCSA-N 1 1 323.349 1.174 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093333664 353895782 /nfs/dbraw/zinc/89/57/82/353895782.db2.gz NDMHONBHJREZFC-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO CCc1nn(C)c(N[C@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000094156438 353911611 /nfs/dbraw/zinc/91/16/11/353911611.db2.gz MQUVWEQQMSKBNE-NSHDSACASA-N 1 1 311.386 1.413 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108307524 353950004 /nfs/dbraw/zinc/95/00/04/353950004.db2.gz FXEWKQXZKNJNNV-ZDUSSCGKSA-N 1 1 318.377 1.607 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000139798467 354131456 /nfs/dbraw/zinc/13/14/56/354131456.db2.gz XJGNAWANDAUAML-UHFFFAOYSA-N 1 1 322.413 1.299 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000149240344 354172128 /nfs/dbraw/zinc/17/21/28/354172128.db2.gz FMRJKIIQLVIOCC-UHFFFAOYSA-N 1 1 303.362 1.834 20 5 DDBDMO Cc1c(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154978977 354210307 /nfs/dbraw/zinc/21/03/07/354210307.db2.gz RGENMQFYFUQVRX-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1c(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000154978977 354210309 /nfs/dbraw/zinc/21/03/09/354210309.db2.gz RGENMQFYFUQVRX-RISCZKNCSA-N 1 1 322.365 1.744 20 5 DDBDMO C[N@@H+](C[C@H](O)C1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305708926 354470737 /nfs/dbraw/zinc/47/07/37/354470737.db2.gz FJOOCMTZJGLBQH-GJZGRUSLSA-N 1 1 319.361 1.403 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000314926009 354489500 /nfs/dbraw/zinc/48/95/00/354489500.db2.gz WKBSHWMINIVAMZ-JTQLQIEISA-N 1 1 308.260 1.099 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000314926009 354489502 /nfs/dbraw/zinc/48/95/02/354489502.db2.gz WKBSHWMINIVAMZ-JTQLQIEISA-N 1 1 308.260 1.099 20 5 DDBDMO CNc1ccc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000402692162 354669256 /nfs/dbraw/zinc/66/92/56/354669256.db2.gz LQNZPHARPDBOEO-UHFFFAOYSA-N 1 1 324.356 1.754 20 5 DDBDMO CCOc1cc(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000585783574 354842182 /nfs/dbraw/zinc/84/21/82/354842182.db2.gz BDAHJNKVCRXLMR-CABCVRRESA-N 1 1 321.377 1.903 20 5 DDBDMO C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000587882049 354886409 /nfs/dbraw/zinc/88/64/09/354886409.db2.gz RVBINPWAZUTNER-GHMZBOCLSA-N 1 1 324.381 1.190 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000587979574 354888974 /nfs/dbraw/zinc/88/89/74/354888974.db2.gz LTMAFOJHUCCGMG-CYBMUJFWSA-N 1 1 322.384 1.950 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861874 354944508 /nfs/dbraw/zinc/94/45/08/354944508.db2.gz VTYRTBXSUPIVGC-RYUDHWBXSA-N 1 1 323.324 1.015 20 5 DDBDMO COc1cc(C[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000589198181 354972860 /nfs/dbraw/zinc/97/28/60/354972860.db2.gz PNVPPHVINKQKKL-ZDUSSCGKSA-N 1 1 310.350 1.815 20 5 DDBDMO CC[N@H+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000589497767 354997124 /nfs/dbraw/zinc/99/71/24/354997124.db2.gz APWFZJLGSMQYJC-GFCCVEGCSA-N 1 1 321.377 1.907 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000589941442 355033805 /nfs/dbraw/zinc/03/38/05/355033805.db2.gz INYUWYGNPWEOTJ-TVQRCGJNSA-N 1 1 308.313 1.902 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441579 355095578 /nfs/dbraw/zinc/09/55/78/355095578.db2.gz DAKPKNWYHNDAFA-FZMZJTMJSA-N 1 1 304.350 1.413 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346452227 283106243 /nfs/dbraw/zinc/10/62/43/283106243.db2.gz KFSVKKFTGXZOSB-CYBMUJFWSA-N 1 1 305.334 1.280 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346452227 283106247 /nfs/dbraw/zinc/10/62/47/283106247.db2.gz KFSVKKFTGXZOSB-CYBMUJFWSA-N 1 1 305.334 1.280 20 5 DDBDMO CCCN(C(=O)c1[nH]nc(CC)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592830452 355705998 /nfs/dbraw/zinc/70/59/98/355705998.db2.gz FEGSWKWHMNSGHK-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000592830452 355706001 /nfs/dbraw/zinc/70/60/01/355706001.db2.gz FEGSWKWHMNSGHK-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592830452 355706004 /nfs/dbraw/zinc/70/60/04/355706004.db2.gz FEGSWKWHMNSGHK-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017112 355771123 /nfs/dbraw/zinc/77/11/23/355771123.db2.gz DRUQDWUFQOVUPM-GXTWGEPZSA-N 1 1 305.382 1.570 20 5 DDBDMO CN1CCC[C@@H]1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017112 355771128 /nfs/dbraw/zinc/77/11/28/355771128.db2.gz DRUQDWUFQOVUPM-GXTWGEPZSA-N 1 1 305.382 1.570 20 5 DDBDMO CN1CCC[C@@H]1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593017112 355771132 /nfs/dbraw/zinc/77/11/32/355771132.db2.gz DRUQDWUFQOVUPM-GXTWGEPZSA-N 1 1 305.382 1.570 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032354 355775398 /nfs/dbraw/zinc/77/53/98/355775398.db2.gz YVZCVTSPRQAEBC-CQSZACIVSA-N 1 1 321.377 1.907 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000593187606 355820099 /nfs/dbraw/zinc/82/00/99/355820099.db2.gz MKHPHXODYNUZKI-USWWRNFRSA-N 1 1 306.366 1.851 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000593188344 355820769 /nfs/dbraw/zinc/82/07/69/355820769.db2.gz DHWAWRGMLVUYSP-WOPDTQHZSA-N 1 1 323.397 1.429 20 5 DDBDMO CC(C)c1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593679043 355964849 /nfs/dbraw/zinc/96/48/49/355964849.db2.gz ABDOTPJSFNPJTG-OAHLLOKOSA-N 1 1 319.405 1.969 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000594570238 356252416 /nfs/dbraw/zinc/25/24/16/356252416.db2.gz IPBODRLWVUFJQN-NSHDSACASA-N 1 1 314.288 1.676 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594502526 356238642 /nfs/dbraw/zinc/23/86/42/356238642.db2.gz KIIUTQHOMRAUKZ-INIZCTEOSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1(=O)=O ZINC000594973893 356366893 /nfs/dbraw/zinc/36/68/93/356366893.db2.gz GGCMOLCDQFDRBM-PSASIEDQSA-N 1 1 304.393 1.712 20 5 DDBDMO C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1(=O)=O ZINC000594976959 356367002 /nfs/dbraw/zinc/36/70/02/356367002.db2.gz RGECIYWDELVJQY-GXSJLCMTSA-N 1 1 316.354 1.789 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000081539396 192286480 /nfs/dbraw/zinc/28/64/80/192286480.db2.gz AHEBHBMDOCVIHC-NSHDSACASA-N 1 1 309.366 1.807 20 5 DDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358763359 299246027 /nfs/dbraw/zinc/24/60/27/299246027.db2.gz VSWIRWRQPVJUCC-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607887 356574654 /nfs/dbraw/zinc/57/46/54/356574654.db2.gz LKGUGIQROIRKRL-LLVKDONJSA-N 1 1 305.313 1.848 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608366 356574987 /nfs/dbraw/zinc/57/49/87/356574987.db2.gz OJXSQDBYFBBZJM-LBPRGKRZSA-N 1 1 317.349 1.717 20 5 DDBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695903 356611902 /nfs/dbraw/zinc/61/19/02/356611902.db2.gz JBFUFRFUZJUKGA-BXUZGUMPSA-N 1 1 321.377 1.677 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595744231 356632495 /nfs/dbraw/zinc/63/24/95/356632495.db2.gz UUBOYUKBTWJOIP-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595765009 356643405 /nfs/dbraw/zinc/64/34/05/356643405.db2.gz GBQVTPNZQZGZDI-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829824 356668072 /nfs/dbraw/zinc/66/80/72/356668072.db2.gz ILBFDPUHCPWWIL-NEPJUHHUSA-N 1 1 305.334 1.502 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595829824 356668076 /nfs/dbraw/zinc/66/80/76/356668076.db2.gz ILBFDPUHCPWWIL-NEPJUHHUSA-N 1 1 305.334 1.502 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CNCCO3)CC2)cc1 ZINC000595886666 356692000 /nfs/dbraw/zinc/69/20/00/356692000.db2.gz XXCBFFJEUDUMQH-MRXNPFEDSA-N 1 1 321.377 1.426 20 5 DDBDMO CN1CC[NH+](CCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596063113 356758054 /nfs/dbraw/zinc/75/80/54/356758054.db2.gz SEXXPNVIZGEKPG-UHFFFAOYSA-N 1 1 313.789 1.115 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596231172 356825422 /nfs/dbraw/zinc/82/54/22/356825422.db2.gz GVEOVAVXAURPEH-UHFFFAOYSA-N 1 1 313.361 1.893 20 5 DDBDMO CCC[N@H+]1CC[C@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517346 356903148 /nfs/dbraw/zinc/90/31/48/356903148.db2.gz NQNOLCCVRDPQSX-NSHDSACASA-N 1 1 308.338 1.673 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858576 357360841 /nfs/dbraw/zinc/36/08/41/357360841.db2.gz NMNLIYCAWSXPGD-VIFPVBQESA-N 1 1 309.370 1.483 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000598645105 357667868 /nfs/dbraw/zinc/66/78/68/357667868.db2.gz DOKXKCKRNLTKSL-RISCZKNCSA-N 1 1 322.361 1.912 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1c[nH+]cc1C ZINC000599120493 357821130 /nfs/dbraw/zinc/82/11/30/357821130.db2.gz DODGTWWHXMZMQD-UHFFFAOYSA-N 1 1 304.306 1.425 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564075 357974545 /nfs/dbraw/zinc/97/45/45/357974545.db2.gz QCSUDTGDOJMBRO-ABAIWWIYSA-N 1 1 308.334 1.920 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599574056 357980335 /nfs/dbraw/zinc/98/03/35/357980335.db2.gz NDXJBNHZDCHPBR-ZDUSSCGKSA-N 1 1 310.350 1.303 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000599656518 358010569 /nfs/dbraw/zinc/01/05/69/358010569.db2.gz WVKJTTZAQPJSNC-XQQFMLRXSA-N 1 1 310.350 1.037 20 5 DDBDMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986770 358096629 /nfs/dbraw/zinc/09/66/29/358096629.db2.gz ZPKOJTWTBCTXOO-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000600315511 358194309 /nfs/dbraw/zinc/19/43/09/358194309.db2.gz ULSKKJRMNYOBSY-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601125505 358412374 /nfs/dbraw/zinc/41/23/74/358412374.db2.gz NOIFZAXJHDYEJY-JTQLQIEISA-N 1 1 311.313 1.184 20 5 DDBDMO C[S@@](=O)C1(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601160334 358427144 /nfs/dbraw/zinc/42/71/44/358427144.db2.gz UNWURSKBYYOARL-OAQYLSRUSA-N 1 1 305.359 1.888 20 5 DDBDMO CC(C)NC(=O)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601177114 358435549 /nfs/dbraw/zinc/43/55/49/358435549.db2.gz TYFXKBRMPKZHQX-SNVBAGLBSA-N 1 1 302.334 1.890 20 5 DDBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000601400205 358536107 /nfs/dbraw/zinc/53/61/07/358536107.db2.gz WHPWPSNTHUPPFT-UHFFFAOYSA-N 1 1 321.424 1.583 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000185484107 199857639 /nfs/dbraw/zinc/85/76/39/199857639.db2.gz KIFLCEUNJCVUPF-UHFFFAOYSA-N 1 1 324.381 1.647 20 5 DDBDMO Cn1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])n1 ZINC000602484126 359009815 /nfs/dbraw/zinc/00/98/15/359009815.db2.gz HPIFYHOSWNSOLR-DOMZBBRYSA-N 1 1 319.409 1.777 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000602807884 359204483 /nfs/dbraw/zinc/20/44/83/359204483.db2.gz XBPSVEMIRYUSCC-UHFFFAOYSA-N 1 1 324.381 1.229 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602873306 359256937 /nfs/dbraw/zinc/25/69/37/359256937.db2.gz IVTBKGYKECRNED-CYBMUJFWSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602873306 359256940 /nfs/dbraw/zinc/25/69/40/359256940.db2.gz IVTBKGYKECRNED-CYBMUJFWSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602873306 359256942 /nfs/dbraw/zinc/25/69/42/359256942.db2.gz IVTBKGYKECRNED-CYBMUJFWSA-N 1 1 309.414 1.762 20 5 DDBDMO COC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000602883193 359266137 /nfs/dbraw/zinc/26/61/37/359266137.db2.gz OGUCWSSLAICWNA-UHFFFAOYSA-N 1 1 324.381 1.907 20 5 DDBDMO COC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000602883193 359266140 /nfs/dbraw/zinc/26/61/40/359266140.db2.gz OGUCWSSLAICWNA-UHFFFAOYSA-N 1 1 324.381 1.907 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963067 359326074 /nfs/dbraw/zinc/32/60/74/359326074.db2.gz SUXQZCXHFSPJPB-GDBMZVCRSA-N 1 1 307.394 1.876 20 5 DDBDMO CCN(CC)C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965908 359329514 /nfs/dbraw/zinc/32/95/14/359329514.db2.gz QURBLKYQBGXJIO-HNNXBMFYSA-N 1 1 309.366 1.260 20 5 DDBDMO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186766411 200005965 /nfs/dbraw/zinc/00/59/65/200005965.db2.gz HFBXFUUYFWPKBJ-PRHODGIISA-N 1 1 303.322 1.199 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000603396371 359613947 /nfs/dbraw/zinc/61/39/47/359613947.db2.gz ICBVGDJBWUUVAI-GHMZBOCLSA-N 1 1 309.370 1.240 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000281072516 216061232 /nfs/dbraw/zinc/06/12/32/216061232.db2.gz AQDHWBWORIBIPL-JTQLQIEISA-N 1 1 308.338 1.671 20 5 DDBDMO C[N@@H+]1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532824 359761934 /nfs/dbraw/zinc/76/19/34/359761934.db2.gz NPZHTUREJKGCAC-GFCCVEGCSA-N 1 1 307.350 1.550 20 5 DDBDMO C[N@H+]1CCC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532824 359761938 /nfs/dbraw/zinc/76/19/38/359761938.db2.gz NPZHTUREJKGCAC-GFCCVEGCSA-N 1 1 307.350 1.550 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000281208478 216154012 /nfs/dbraw/zinc/15/40/12/216154012.db2.gz SHYKSTFTRNIZQO-HNNXBMFYSA-N 1 1 307.350 1.432 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609478983 360311239 /nfs/dbraw/zinc/31/12/39/360311239.db2.gz AHTAGLBHKYBWAI-LLVKDONJSA-N 1 1 321.381 1.485 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239877 360395446 /nfs/dbraw/zinc/39/54/46/360395446.db2.gz AQMAGFYUVPQLAH-CQSZACIVSA-N 1 1 321.377 1.364 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084577 360617666 /nfs/dbraw/zinc/61/76/66/360617666.db2.gz FMRQNGCXOFELML-NSHDSACASA-N 1 1 306.366 1.485 20 5 DDBDMO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000611268275 360683817 /nfs/dbraw/zinc/68/38/17/360683817.db2.gz IXBHJWJURXARLK-NSHDSACASA-N 1 1 308.334 1.977 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000611268275 360683818 /nfs/dbraw/zinc/68/38/18/360683818.db2.gz IXBHJWJURXARLK-NSHDSACASA-N 1 1 308.334 1.977 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000611335230 360700733 /nfs/dbraw/zinc/70/07/33/360700733.db2.gz HHVCQTBMGOXSFW-GFCCVEGCSA-N 1 1 321.381 1.132 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000612110344 360923383 /nfs/dbraw/zinc/92/33/83/360923383.db2.gz DLVXILPDBGJFGS-MNOVXSKESA-N 1 1 316.304 1.922 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000619537148 364052583 /nfs/dbraw/zinc/05/25/83/364052583.db2.gz ZGUXZJMKMIUAGR-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293061536 223377235 /nfs/dbraw/zinc/37/72/35/223377235.db2.gz IMNDROKKUWQIEM-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](O)CC1 ZINC000293061536 223377237 /nfs/dbraw/zinc/37/72/37/223377237.db2.gz IMNDROKKUWQIEM-BXUZGUMPSA-N 1 1 307.350 1.769 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000271751374 209182403 /nfs/dbraw/zinc/18/24/03/209182403.db2.gz YSDDPTQTPYYISZ-LLVKDONJSA-N 1 1 322.365 1.372 20 5 DDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+](CCO)CCCO)c1 ZINC000093324206 193231373 /nfs/dbraw/zinc/23/13/73/193231373.db2.gz LENFWJROVOMOLZ-UHFFFAOYSA-N 1 1 320.292 1.373 20 5 DDBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](CCO)CCCO)c1 ZINC000093324206 193231374 /nfs/dbraw/zinc/23/13/74/193231374.db2.gz LENFWJROVOMOLZ-UHFFFAOYSA-N 1 1 320.292 1.373 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000264676932 204071111 /nfs/dbraw/zinc/07/11/11/204071111.db2.gz VXTIUBJNHBKXFC-UHFFFAOYSA-N 1 1 310.373 1.808 20 5 DDBDMO Cc1cc(C(=O)NCC[NH+]2CCSCC2)c(N)c([N+](=O)[O-])c1 ZINC000264892697 204244344 /nfs/dbraw/zinc/24/43/44/204244344.db2.gz XOBNZMPZWDSVJR-UHFFFAOYSA-N 1 1 324.406 1.264 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 ZINC000267558130 206143840 /nfs/dbraw/zinc/14/38/40/206143840.db2.gz ABJBLEFODYHPGX-WBMJQRKESA-N 1 1 323.368 1.886 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N1CCOCC1 ZINC000267558130 206143843 /nfs/dbraw/zinc/14/38/43/206143843.db2.gz ABJBLEFODYHPGX-WBMJQRKESA-N 1 1 323.368 1.886 20 5 DDBDMO CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc[nH+]1 ZINC000359632475 299503364 /nfs/dbraw/zinc/50/33/64/299503364.db2.gz JRDAHNSIFJQOAG-UHFFFAOYSA-N 1 1 303.278 1.409 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000109785743 194284818 /nfs/dbraw/zinc/28/48/18/194284818.db2.gz KFCHWULQBIENQJ-CQSZACIVSA-N 1 1 321.377 1.795 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000109785743 194284821 /nfs/dbraw/zinc/28/48/21/194284821.db2.gz KFCHWULQBIENQJ-CQSZACIVSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939991 251290431 /nfs/dbraw/zinc/29/04/31/251290431.db2.gz XTJUVCLSYINTFS-SKDRFNHKSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939991 251290435 /nfs/dbraw/zinc/29/04/35/251290435.db2.gz XTJUVCLSYINTFS-SKDRFNHKSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341009063 251333733 /nfs/dbraw/zinc/33/37/33/251333733.db2.gz AHJGRHFAVIKMMT-AAEUAGOBSA-N 1 1 306.366 1.877 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000341024818 251345253 /nfs/dbraw/zinc/34/52/53/251345253.db2.gz HZPCLTBPOYNTOT-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000408199440 285079829 /nfs/dbraw/zinc/07/98/29/285079829.db2.gz SDWBDZIYOLXBMJ-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000408199440 285079831 /nfs/dbraw/zinc/07/98/31/285079831.db2.gz SDWBDZIYOLXBMJ-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000272969443 210352427 /nfs/dbraw/zinc/35/24/27/210352427.db2.gz BETPXVWPUCPMJR-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000352541498 285127787 /nfs/dbraw/zinc/12/77/87/285127787.db2.gz YNGFMXZCKXMYHB-LLVKDONJSA-N 1 1 307.350 1.691 20 5 DDBDMO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000434790405 533094094 /nfs/dbraw/zinc/09/40/94/533094094.db2.gz UJXFIFFABINDMG-KBPBESRZSA-N 1 1 320.349 1.755 20 5 DDBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000156764825 197138626 /nfs/dbraw/zinc/13/86/26/197138626.db2.gz DMQOJWQXFFRMFD-LBPRGKRZSA-N 1 1 324.381 1.845 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)c1[N+](=O)[O-] ZINC000156765701 197139171 /nfs/dbraw/zinc/13/91/71/197139171.db2.gz QLIJATHJUDVXAK-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352687913 285228301 /nfs/dbraw/zinc/22/83/01/285228301.db2.gz ACFUCHFWQHXUSX-OLZOCXBDSA-N 1 1 323.349 1.387 20 5 DDBDMO C[NH+](C)C1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294791866 224224817 /nfs/dbraw/zinc/22/48/17/224224817.db2.gz BKNXRPFMRNHPKN-UHFFFAOYSA-N 1 1 305.334 1.330 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798022 285307736 /nfs/dbraw/zinc/30/77/36/285307736.db2.gz WYQUJYBNQKUMCP-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000352869379 285348170 /nfs/dbraw/zinc/34/81/70/285348170.db2.gz WJXRSTUEQCBWKN-QWRGUYRKSA-N 1 1 323.397 1.629 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000294869977 533539039 /nfs/dbraw/zinc/53/90/39/533539039.db2.gz BVXZDLKSWYBXOS-SECBINFHSA-N 1 1 311.313 1.567 20 5 DDBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000266575922 407567261 /nfs/dbraw/zinc/56/72/61/407567261.db2.gz LWRSROHMIWCUHC-HNNXBMFYSA-N 1 1 304.350 1.593 20 5 DDBDMO Cc1cn2cc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)ccc2[nH+]1 ZINC000361055393 299796198 /nfs/dbraw/zinc/79/61/98/299796198.db2.gz VZPJQHIQHAMLDL-UHFFFAOYSA-N 1 1 312.289 1.788 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000026342659 406903860 /nfs/dbraw/zinc/90/38/60/406903860.db2.gz UPLSZAHTRKBUEP-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C)C1 ZINC000026342659 406903863 /nfs/dbraw/zinc/90/38/63/406903863.db2.gz UPLSZAHTRKBUEP-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000075597178 406935620 /nfs/dbraw/zinc/93/56/20/406935620.db2.gz VWJMOCYLQUUBMO-ZDUSSCGKSA-N 1 1 322.390 1.878 20 5 DDBDMO COCCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066378931 407249842 /nfs/dbraw/zinc/24/98/42/407249842.db2.gz AFLMERJJNPMARK-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO COCCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066378931 407249844 /nfs/dbraw/zinc/24/98/44/407249844.db2.gz AFLMERJJNPMARK-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCn1cccn1 ZINC000111283337 407406112 /nfs/dbraw/zinc/40/61/12/407406112.db2.gz IQVSQHUFMPZHEC-LBPRGKRZSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCn1cccn1 ZINC000111283337 407406113 /nfs/dbraw/zinc/40/61/13/407406113.db2.gz IQVSQHUFMPZHEC-LBPRGKRZSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@@H](O)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111288404 407407096 /nfs/dbraw/zinc/40/70/96/407407096.db2.gz JGUVVFHTYITGOD-GFCCVEGCSA-N 1 1 321.377 1.650 20 5 DDBDMO NC(=O)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111688620 407414859 /nfs/dbraw/zinc/41/48/59/407414859.db2.gz ABXYLKAWRDLILG-UHFFFAOYSA-N 1 1 308.338 1.060 20 5 DDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000265821213 407470904 /nfs/dbraw/zinc/47/09/04/407470904.db2.gz RZKBQDHNBMYEHP-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000265821213 407470910 /nfs/dbraw/zinc/47/09/10/407470910.db2.gz RZKBQDHNBMYEHP-LLVKDONJSA-N 1 1 323.349 1.510 20 5 DDBDMO O=C(CCCC[NH+]1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000170694564 407477675 /nfs/dbraw/zinc/47/76/75/407477675.db2.gz XBZDKYWSSCNJPT-UHFFFAOYSA-N 1 1 321.377 1.714 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000178757917 407586327 /nfs/dbraw/zinc/58/63/27/407586327.db2.gz MEWPYDQYFFDQGS-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000178775970 407598454 /nfs/dbraw/zinc/59/84/54/407598454.db2.gz ZJFCKPPYVIDVQI-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO C[NH+](C)[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000271374038 407658833 /nfs/dbraw/zinc/65/88/33/407658833.db2.gz ZNGXKDNRJLKGBM-QMMMGPOBSA-N 1 1 319.408 1.200 20 5 DDBDMO CN1CC[NH+](CCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000266658229 407594600 /nfs/dbraw/zinc/59/46/00/407594600.db2.gz ZREFVZBEXLVYGQ-UHFFFAOYSA-N 1 1 324.410 1.353 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000267150787 407767866 /nfs/dbraw/zinc/76/78/66/407767866.db2.gz MMVJBPXZXMBNKS-LLVKDONJSA-N 1 1 309.366 1.933 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186784800 407768981 /nfs/dbraw/zinc/76/89/81/407768981.db2.gz KJGZWYMISLWOAC-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000118123667 407900490 /nfs/dbraw/zinc/90/04/90/407900490.db2.gz LCAUKPIPKYGUSF-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000273060357 408037514 /nfs/dbraw/zinc/03/75/14/408037514.db2.gz YJKRMQOLEQXAJS-LBPRGKRZSA-N 1 1 318.377 1.773 20 5 DDBDMO C[C@@H](CCO)[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272563994 407985646 /nfs/dbraw/zinc/98/56/46/407985646.db2.gz UQLKYNDKOSPJNU-FZMZJTMJSA-N 1 1 304.350 1.778 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189679182 408076866 /nfs/dbraw/zinc/07/68/66/408076866.db2.gz ANMSTFJXXAVZQI-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000245897457 408089872 /nfs/dbraw/zinc/08/98/72/408089872.db2.gz FCPBRGCAHFHRQX-DZGCQCFKSA-N 1 1 324.377 1.693 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246253242 408194668 /nfs/dbraw/zinc/19/46/68/408194668.db2.gz TXNAAEADHMYQQJ-WDEREUQCSA-N 1 1 322.365 1.236 20 5 DDBDMO CC[N@@H+](CCNC(=O)CCn1cc([N+](=O)[O-])nc1C)C1CC1 ZINC000263771657 408249186 /nfs/dbraw/zinc/24/91/86/408249186.db2.gz SVOJBFXAWVGCKE-UHFFFAOYSA-N 1 1 309.370 1.090 20 5 DDBDMO Cn1cccc1[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246465375 408264355 /nfs/dbraw/zinc/26/43/55/408264355.db2.gz AKJYTKNBPAHZKU-HIFRSBDPSA-N 1 1 319.365 1.328 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190335279 408223075 /nfs/dbraw/zinc/22/30/75/408223075.db2.gz XTJXPORVIIWHPV-CORIIIEPSA-N 1 1 310.350 1.037 20 5 DDBDMO CCCN1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269381642 408289149 /nfs/dbraw/zinc/28/91/49/408289149.db2.gz JQBCVPZCXDZGJA-UHFFFAOYSA-N 1 1 309.370 1.609 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269381642 408289155 /nfs/dbraw/zinc/28/91/55/408289155.db2.gz JQBCVPZCXDZGJA-UHFFFAOYSA-N 1 1 309.370 1.609 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274231994 408334917 /nfs/dbraw/zinc/33/49/17/408334917.db2.gz DZKLVZRVGDPJBX-SECBINFHSA-N 1 1 312.297 1.737 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000274231994 408334920 /nfs/dbraw/zinc/33/49/20/408334920.db2.gz DZKLVZRVGDPJBX-SECBINFHSA-N 1 1 312.297 1.737 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183197113 408349409 /nfs/dbraw/zinc/34/94/09/408349409.db2.gz MVDYXJUNXOXCFN-NEPJUHHUSA-N 1 1 310.350 1.685 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000264063692 408358574 /nfs/dbraw/zinc/35/85/74/408358574.db2.gz ABFQRJLITPWJCP-NSHDSACASA-N 1 1 315.395 1.603 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000158853233 408364444 /nfs/dbraw/zinc/36/44/44/408364444.db2.gz PRPHRYSDOXCDLX-YPMHNXCESA-N 1 1 323.397 1.371 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000274417843 408396175 /nfs/dbraw/zinc/39/61/75/408396175.db2.gz IFRIZGKRLSRQMH-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO C[N@@H+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000264192237 408396437 /nfs/dbraw/zinc/39/64/37/408396437.db2.gz PAAUCYVEZVFKEM-UHFFFAOYSA-N 1 1 309.370 1.172 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000183952266 408517838 /nfs/dbraw/zinc/51/78/38/408517838.db2.gz JCDCBLURZXKSJR-VMPITWQZSA-N 1 1 307.350 1.038 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000270544552 408573090 /nfs/dbraw/zinc/57/30/90/408573090.db2.gz MBWJOXNFVCFQGS-GJZGRUSLSA-N 1 1 317.349 1.384 20 5 DDBDMO COC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000265211757 408580894 /nfs/dbraw/zinc/58/08/94/408580894.db2.gz VOUIKPXEVMITEM-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000160922440 408539755 /nfs/dbraw/zinc/53/97/55/408539755.db2.gz DIAVOYFGDXIBKY-NSHDSACASA-N 1 1 303.322 1.351 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270840119 408701022 /nfs/dbraw/zinc/70/10/22/408701022.db2.gz DXEKGTVXRFHTLQ-UXIGCNINSA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000164563870 408801067 /nfs/dbraw/zinc/80/10/67/408801067.db2.gz DWCUXHPOLMRTLQ-QWHCGFSZSA-N 1 1 321.381 1.042 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1O ZINC000249585229 408746694 /nfs/dbraw/zinc/74/66/94/408746694.db2.gz SRJKWAIKGGPKBG-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1O ZINC000249585229 408746700 /nfs/dbraw/zinc/74/67/00/408746700.db2.gz SRJKWAIKGGPKBG-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177984597 408749165 /nfs/dbraw/zinc/74/91/65/408749165.db2.gz FFSCZOLLSZKKHY-HIFRSBDPSA-N 1 1 305.334 1.157 20 5 DDBDMO C[C@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000177984597 408749171 /nfs/dbraw/zinc/74/91/71/408749171.db2.gz FFSCZOLLSZKKHY-HIFRSBDPSA-N 1 1 305.334 1.157 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001165 408754335 /nfs/dbraw/zinc/75/43/35/408754335.db2.gz BQXDVDZVXPOLJA-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001165 408754340 /nfs/dbraw/zinc/75/43/40/408754340.db2.gz BQXDVDZVXPOLJA-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001165 408754345 /nfs/dbraw/zinc/75/43/45/408754345.db2.gz BQXDVDZVXPOLJA-CMPLNLGQSA-N 1 1 321.381 1.437 20 5 DDBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000250112834 408774900 /nfs/dbraw/zinc/77/49/00/408774900.db2.gz MTEDCFXTRIGYGB-GXTWGEPZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000250112834 408774903 /nfs/dbraw/zinc/77/49/03/408774903.db2.gz MTEDCFXTRIGYGB-GXTWGEPZSA-N 1 1 324.377 1.834 20 5 DDBDMO CCOCCOCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276286601 408829795 /nfs/dbraw/zinc/82/97/95/408829795.db2.gz SJYWHWKXDLEOQW-HNNXBMFYSA-N 1 1 312.366 1.613 20 5 DDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285746217 408855961 /nfs/dbraw/zinc/85/59/61/408855961.db2.gz HJXCSRZJABAVCB-QWRGUYRKSA-N 1 1 321.381 1.701 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C1 ZINC000281611740 408896646 /nfs/dbraw/zinc/89/66/46/408896646.db2.gz ZEULRBKZEWHTSF-VHSXEESVSA-N 1 1 312.345 1.207 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291730413 408914734 /nfs/dbraw/zinc/91/47/34/408914734.db2.gz JNQUXPVYRWGIOO-GJZGRUSLSA-N 1 1 324.377 1.834 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000286253073 408949199 /nfs/dbraw/zinc/94/91/99/408949199.db2.gz IVIYAXOHVIJSHQ-JQWIXIFHSA-N 1 1 320.349 1.815 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000284241257 409302369 /nfs/dbraw/zinc/30/23/69/409302369.db2.gz KWWRTCCLNNLOMS-LBPRGKRZSA-N 1 1 318.333 1.959 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000284241257 409302371 /nfs/dbraw/zinc/30/23/71/409302371.db2.gz KWWRTCCLNNLOMS-LBPRGKRZSA-N 1 1 318.333 1.959 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCNC(=O)CC1 ZINC000295258415 409400848 /nfs/dbraw/zinc/40/08/48/409400848.db2.gz GSGCMKLCKNPLOF-CQSZACIVSA-N 1 1 305.378 1.985 20 5 DDBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000347017737 164097409 /nfs/dbraw/zinc/09/74/09/164097409.db2.gz UVAAOQWECWAIQV-ZDUSSCGKSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056016 164211203 /nfs/dbraw/zinc/21/12/03/164211203.db2.gz ZXDBQFPOGNWTQW-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408056016 164211206 /nfs/dbraw/zinc/21/12/06/164211206.db2.gz ZXDBQFPOGNWTQW-MNOVXSKESA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000408093168 164225739 /nfs/dbraw/zinc/22/57/39/164225739.db2.gz UZTNZWOQJBBREC-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1O ZINC000408093168 164225741 /nfs/dbraw/zinc/22/57/41/164225741.db2.gz UZTNZWOQJBBREC-QMTHXVAHSA-N 1 1 308.334 1.664 20 5 DDBDMO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353902836 409550010 /nfs/dbraw/zinc/55/00/10/409550010.db2.gz YCGFOYIBJPRNGK-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353902836 409550014 /nfs/dbraw/zinc/55/00/14/409550014.db2.gz YCGFOYIBJPRNGK-GFCCVEGCSA-N 1 1 307.350 1.892 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342406694 409603275 /nfs/dbraw/zinc/60/32/75/409603275.db2.gz HWYPSNYELUMMQM-LLVKDONJSA-N 1 1 306.366 1.472 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CCO1 ZINC000345051013 409608527 /nfs/dbraw/zinc/60/85/27/409608527.db2.gz JFTCDUUAMAJHTE-LLVKDONJSA-N 1 1 322.365 1.248 20 5 DDBDMO CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052866 409662033 /nfs/dbraw/zinc/66/20/33/409662033.db2.gz NHUSBRMWLRWMLF-HIFRSBDPSA-N 1 1 310.398 1.910 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCSC1 ZINC000331640584 409724655 /nfs/dbraw/zinc/72/46/55/409724655.db2.gz JZAXIMZWXDFGNH-NSHDSACASA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCSC1 ZINC000331640584 409724666 /nfs/dbraw/zinc/72/46/66/409724666.db2.gz JZAXIMZWXDFGNH-NSHDSACASA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCSC1 ZINC000331640581 409725025 /nfs/dbraw/zinc/72/50/25/409725025.db2.gz JZAXIMZWXDFGNH-LLVKDONJSA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCSC1 ZINC000331640581 409725035 /nfs/dbraw/zinc/72/50/35/409725035.db2.gz JZAXIMZWXDFGNH-LLVKDONJSA-N 1 1 321.402 1.921 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000332092923 409874342 /nfs/dbraw/zinc/87/43/42/409874342.db2.gz MQDHJJQGPLUVLB-UHFFFAOYSA-N 1 1 318.337 1.146 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229642 409998683 /nfs/dbraw/zinc/99/86/83/409998683.db2.gz PNOCBPXJUQZSFQ-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332229642 409998689 /nfs/dbraw/zinc/99/86/89/409998689.db2.gz PNOCBPXJUQZSFQ-IINYFYTJSA-N 1 1 308.334 1.664 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298020340 410081583 /nfs/dbraw/zinc/08/15/83/410081583.db2.gz DOYBNTLUUZDOFT-CQSZACIVSA-N 1 1 319.409 1.596 20 5 DDBDMO O=C(C[N@H+]1CCC[C@@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298081893 410105038 /nfs/dbraw/zinc/10/50/38/410105038.db2.gz MROYJSYQACDBJA-GFCCVEGCSA-N 1 1 319.361 1.188 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298081893 410105042 /nfs/dbraw/zinc/10/50/42/410105042.db2.gz MROYJSYQACDBJA-GFCCVEGCSA-N 1 1 319.361 1.188 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000332599264 410189242 /nfs/dbraw/zinc/18/92/42/410189242.db2.gz IPGFPMLUOVHJEM-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+]1C ZINC000332599264 410189250 /nfs/dbraw/zinc/18/92/50/410189250.db2.gz IPGFPMLUOVHJEM-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000332683016 410209090 /nfs/dbraw/zinc/20/90/90/410209090.db2.gz KCXWUEQKTVRBGN-NSHDSACASA-N 1 1 309.370 1.132 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000351774805 410222832 /nfs/dbraw/zinc/22/28/32/410222832.db2.gz NXSDZXPXNLWHRK-SWHYSGLUSA-N 1 1 305.334 1.013 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000351774805 410222840 /nfs/dbraw/zinc/22/28/40/410222840.db2.gz NXSDZXPXNLWHRK-SWHYSGLUSA-N 1 1 305.334 1.013 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298688434 410346072 /nfs/dbraw/zinc/34/60/72/410346072.db2.gz AOOIBJJFZCCCIH-JTQLQIEISA-N 1 1 324.333 1.702 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000346997050 410300438 /nfs/dbraw/zinc/30/04/38/410300438.db2.gz CBNQOEATZXNIOC-PWSUYJOCSA-N 1 1 308.334 1.987 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cccc1[N+](=O)[O-] ZINC000355098129 410314594 /nfs/dbraw/zinc/31/45/94/410314594.db2.gz KZDRNIFZVIARTB-CQSZACIVSA-N 1 1 318.377 1.939 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cccc1[N+](=O)[O-] ZINC000355098129 410314601 /nfs/dbraw/zinc/31/46/01/410314601.db2.gz KZDRNIFZVIARTB-CQSZACIVSA-N 1 1 318.377 1.939 20 5 DDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147080 410544667 /nfs/dbraw/zinc/54/46/67/410544667.db2.gz ZSHWDCYCWSRVJJ-UHFFFAOYSA-N 1 1 323.397 1.021 20 5 DDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147080 410544673 /nfs/dbraw/zinc/54/46/73/410544673.db2.gz ZSHWDCYCWSRVJJ-UHFFFAOYSA-N 1 1 323.397 1.021 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301141884 410663810 /nfs/dbraw/zinc/66/38/10/410663810.db2.gz CDPZOKCWRGVHBW-AXFHLTTASA-N 1 1 308.386 1.745 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359385943 410633616 /nfs/dbraw/zinc/63/36/16/410633616.db2.gz CUOHBQWGIWPHAY-UHFFFAOYSA-N 1 1 315.276 1.632 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000353046448 410755872 /nfs/dbraw/zinc/75/58/72/410755872.db2.gz AROHVGADWQJTLB-CABCVRRESA-N 1 1 302.334 1.599 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330569426 410785593 /nfs/dbraw/zinc/78/55/93/410785593.db2.gz MCUIDYLCPHOQLE-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000330577758 410794358 /nfs/dbraw/zinc/79/43/58/410794358.db2.gz HBNUTEZEANYGQL-STQMWFEESA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301947444 410836778 /nfs/dbraw/zinc/83/67/78/410836778.db2.gz YALMSGCNRAFHPW-LLVKDONJSA-N 1 1 304.354 1.924 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCC[C@H](C)C1 ZINC000356150101 410864421 /nfs/dbraw/zinc/86/44/21/410864421.db2.gz HTHWUJYCCXUDRA-QWRGUYRKSA-N 1 1 309.370 1.179 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@H]1C ZINC000330671870 410865318 /nfs/dbraw/zinc/86/53/18/410865318.db2.gz NHCSOZBDFQKIHE-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1C ZINC000330671870 410865321 /nfs/dbraw/zinc/86/53/21/410865321.db2.gz NHCSOZBDFQKIHE-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1C ZINC000330671870 410865327 /nfs/dbraw/zinc/86/53/27/410865327.db2.gz NHCSOZBDFQKIHE-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c([C@H](C)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673531 410865415 /nfs/dbraw/zinc/86/54/15/410865415.db2.gz HKGPOMFCILMVPH-KBPBESRZSA-N 1 1 306.410 1.800 20 5 DDBDMO Cc1c([C@H](C)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000330673531 410865419 /nfs/dbraw/zinc/86/54/19/410865419.db2.gz HKGPOMFCILMVPH-KBPBESRZSA-N 1 1 306.410 1.800 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302861666 410878344 /nfs/dbraw/zinc/87/83/44/410878344.db2.gz QEYBIHYRXWNBIQ-AOOOYVTPSA-N 1 1 315.333 1.241 20 5 DDBDMO Cc1nc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000301863269 410816805 /nfs/dbraw/zinc/81/68/05/410816805.db2.gz LVJXVQPFSQPTJQ-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1nc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000301863269 410816809 /nfs/dbraw/zinc/81/68/09/410816809.db2.gz LVJXVQPFSQPTJQ-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288523 410899480 /nfs/dbraw/zinc/89/94/80/410899480.db2.gz WMCXNNYDUBSTDS-DVVUODLYSA-N 1 1 322.287 1.425 20 5 DDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000341841960 411069344 /nfs/dbraw/zinc/06/93/44/411069344.db2.gz KOBXYTPCJJNQJE-JTQLQIEISA-N 1 1 308.338 1.591 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331250739 411041619 /nfs/dbraw/zinc/04/16/19/411041619.db2.gz ZYWNFEGAXGSVJG-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000331250739 411041624 /nfs/dbraw/zinc/04/16/24/411041624.db2.gz ZYWNFEGAXGSVJG-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000331250739 411041627 /nfs/dbraw/zinc/04/16/27/411041627.db2.gz ZYWNFEGAXGSVJG-JTQLQIEISA-N 1 1 309.370 1.608 20 5 DDBDMO Cc1nc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000296283258 225725591 /nfs/dbraw/zinc/72/55/91/225725591.db2.gz HJTWFIQALTXGRP-ZDUSSCGKSA-N 1 1 322.413 1.377 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374105751 418488443 /nfs/dbraw/zinc/48/84/43/418488443.db2.gz JQSHJFVQGHMBTL-YUELXQCFSA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374105751 418488444 /nfs/dbraw/zinc/48/84/44/418488444.db2.gz JQSHJFVQGHMBTL-YUELXQCFSA-N 1 1 308.334 1.198 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000212603614 418558772 /nfs/dbraw/zinc/55/87/72/418558772.db2.gz QIXITADINJRLCN-UHFFFAOYSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1[nH+]ccn1CCCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290503786 418576795 /nfs/dbraw/zinc/57/67/95/418576795.db2.gz AXQHYAFKWSJAAU-UHFFFAOYSA-N 1 1 318.337 1.486 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000375590781 418658547 /nfs/dbraw/zinc/65/85/47/418658547.db2.gz JJSTYWYIFIFHHD-LLVKDONJSA-N 1 1 311.411 1.268 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092755 418787081 /nfs/dbraw/zinc/78/70/81/418787081.db2.gz ZRAIIPQQDYTWGJ-VHSXEESVSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092755 418787083 /nfs/dbraw/zinc/78/70/83/418787083.db2.gz ZRAIIPQQDYTWGJ-VHSXEESVSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000408092755 418787085 /nfs/dbraw/zinc/78/70/85/418787085.db2.gz ZRAIIPQQDYTWGJ-VHSXEESVSA-N 1 1 309.370 1.606 20 5 DDBDMO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000420929040 419363310 /nfs/dbraw/zinc/36/33/10/419363310.db2.gz CWIWUFXIQKVODG-AWEZNQCLSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000420929040 419363315 /nfs/dbraw/zinc/36/33/15/419363315.db2.gz CWIWUFXIQKVODG-AWEZNQCLSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CCO ZINC000426266024 419424890 /nfs/dbraw/zinc/42/48/90/419424890.db2.gz INNOIXYUSGPGHF-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000426266024 419424897 /nfs/dbraw/zinc/42/48/97/419424897.db2.gz INNOIXYUSGPGHF-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1nn(Cc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000421219746 419524563 /nfs/dbraw/zinc/52/45/63/419524563.db2.gz VOUOTLXVGHXGGW-UHFFFAOYSA-N 1 1 316.361 1.980 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000434443313 229297382 /nfs/dbraw/zinc/29/73/82/229297382.db2.gz XGGZHUUAPBJYJS-LBPRGKRZSA-N 1 1 321.381 1.558 20 5 DDBDMO Cn1cc(CN2CC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435393499 229381491 /nfs/dbraw/zinc/38/14/91/229381491.db2.gz GEMMPRQJSGIZDN-LBPRGKRZSA-N 1 1 315.377 1.776 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC(F)(F)C[NH3+])c1 ZINC000423556269 420079082 /nfs/dbraw/zinc/07/90/82/420079082.db2.gz YVGLLRPCUHGNOD-UHFFFAOYSA-N 1 1 303.265 1.317 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955629 420221235 /nfs/dbraw/zinc/22/12/35/420221235.db2.gz MCHQAZPYKWFYPB-YPMHNXCESA-N 1 1 320.393 1.901 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015912 420307126 /nfs/dbraw/zinc/30/71/26/420307126.db2.gz NIMYRURNZZBLPF-VHSXEESVSA-N 1 1 309.370 1.327 20 5 DDBDMO Cn1cc[nH+]c1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302649962 230331079 /nfs/dbraw/zinc/33/10/79/230331079.db2.gz MUZUWMZAQPTJKT-UHFFFAOYSA-N 1 1 324.362 1.386 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000457120165 420621529 /nfs/dbraw/zinc/62/15/29/420621529.db2.gz NTUJWDPMLKJMSV-NSHDSACASA-N 1 1 324.356 1.871 20 5 DDBDMO CCOc1cc(C[NH+]2C[C@@H](OC)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000493703037 420919190 /nfs/dbraw/zinc/91/91/90/420919190.db2.gz BQMYTUPANALLHT-HUUCEWRRSA-N 1 1 310.350 1.839 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1(C[NH3+])CCC1 ZINC000449682319 421057808 /nfs/dbraw/zinc/05/78/08/421057808.db2.gz XJKWJLVZNFRXCX-UHFFFAOYSA-N 1 1 303.322 1.425 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455577584 421038953 /nfs/dbraw/zinc/03/89/53/421038953.db2.gz UAURTXZQHMAWGG-UHFFFAOYSA-N 1 1 307.354 1.199 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456052319 421093757 /nfs/dbraw/zinc/09/37/57/421093757.db2.gz PQLIQUMKUCDTIF-LLVKDONJSA-N 1 1 323.397 1.882 20 5 DDBDMO CC[C@H]1CN(CC)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000456390742 421157889 /nfs/dbraw/zinc/15/78/89/421157889.db2.gz VTXHCIGWVYRGLD-NSHDSACASA-N 1 1 307.350 1.857 20 5 DDBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000450388647 421191332 /nfs/dbraw/zinc/19/13/32/421191332.db2.gz IKMBISLBKFSKEU-OCCSQVGLSA-N 1 1 321.381 1.240 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450601296 421216245 /nfs/dbraw/zinc/21/62/45/421216245.db2.gz YITFPXLKQQLBSD-LBPRGKRZSA-N 1 1 311.386 1.378 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+]1CCO ZINC000450612630 421217137 /nfs/dbraw/zinc/21/71/37/421217137.db2.gz KFLJYXPBXLZHQT-LBPRGKRZSA-N 1 1 311.386 1.378 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000565243505 421596911 /nfs/dbraw/zinc/59/69/11/421596911.db2.gz YWSBREKYFUVBDA-AOOOYVTPSA-N 1 1 311.411 2.037 20 5 DDBDMO CCN1C[C@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173116 421598286 /nfs/dbraw/zinc/59/82/86/421598286.db2.gz QGODVACJGFNOSE-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[NH+]1C[C@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173116 421598289 /nfs/dbraw/zinc/59/82/89/421598289.db2.gz QGODVACJGFNOSE-QWRGUYRKSA-N 1 1 323.397 1.996 20 5 DDBDMO CN1CCC[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000558442029 421806866 /nfs/dbraw/zinc/80/68/66/421806866.db2.gz JNUBDDSWTMBTNH-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO C[C@H](C(=O)NCC[N@H+]1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000557569726 421777767 /nfs/dbraw/zinc/77/77/67/421777767.db2.gz PXNRGHCNOLJQSY-ZDUSSCGKSA-N 1 1 321.377 1.537 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000557919931 421794425 /nfs/dbraw/zinc/79/44/25/421794425.db2.gz KDRTVCNRCTYFNG-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000573566206 421982004 /nfs/dbraw/zinc/98/20/04/421982004.db2.gz ZJCFUUYAVFNERA-AWEZNQCLSA-N 1 1 315.333 1.115 20 5 DDBDMO CNc1nccc(C(=O)NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000594370679 422346587 /nfs/dbraw/zinc/34/65/87/422346587.db2.gz ANFRCXDNEFCAKK-UHFFFAOYSA-N 1 1 323.397 1.739 20 5 DDBDMO Nc1nc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596477881 422378433 /nfs/dbraw/zinc/37/84/33/422378433.db2.gz LHRHJCLTCLUAOX-JTQLQIEISA-N 1 1 306.370 1.786 20 5 DDBDMO COCCC[N@@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705620 422478524 /nfs/dbraw/zinc/47/85/24/422478524.db2.gz GDRZGRZZTQTLJF-UHFFFAOYSA-N 1 1 319.365 1.918 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000345328973 272220454 /nfs/dbraw/zinc/22/04/54/272220454.db2.gz VEJKXJXFHXAEQJ-NEPJUHHUSA-N 1 1 306.366 1.606 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129809035 273507977 /nfs/dbraw/zinc/50/79/77/273507977.db2.gz HZNDYWCAPINFJJ-UHFFFAOYSA-N 1 1 314.773 1.536 20 5 DDBDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000277653833 276053718 /nfs/dbraw/zinc/05/37/18/276053718.db2.gz DFIYREIQWVKNCT-MRXNPFEDSA-N 1 1 321.377 1.821 20 5 DDBDMO CCOc1cccc(N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302469439 276381252 /nfs/dbraw/zinc/38/12/52/276381252.db2.gz VSWIUUJGSGUBCR-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO CCOc1cccc(N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302469439 276381253 /nfs/dbraw/zinc/38/12/53/276381253.db2.gz VSWIUUJGSGUBCR-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292664757 277072624 /nfs/dbraw/zinc/07/26/24/277072624.db2.gz CSDOWAYRXXZSDI-MRXNPFEDSA-N 1 1 318.377 1.616 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000426230006 280375790 /nfs/dbraw/zinc/37/57/90/280375790.db2.gz JTHPGXCFCIDNLL-OLZOCXBDSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933165 281029860 /nfs/dbraw/zinc/02/98/60/281029860.db2.gz DLNGUECRMIZDCE-OLZOCXBDSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933165 281029861 /nfs/dbraw/zinc/02/98/61/281029861.db2.gz DLNGUECRMIZDCE-OLZOCXBDSA-N 1 1 321.377 1.650 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000129139195 281333753 /nfs/dbraw/zinc/33/37/53/281333753.db2.gz WNHBZFAARYJDML-CYBMUJFWSA-N 1 1 318.377 1.878 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362072583 300000640 /nfs/dbraw/zinc/00/06/40/300000640.db2.gz OVIGEHNKKJIUOL-QWRGUYRKSA-N 1 1 323.349 1.102 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000362072583 300000642 /nfs/dbraw/zinc/00/06/42/300000642.db2.gz OVIGEHNKKJIUOL-QWRGUYRKSA-N 1 1 323.349 1.102 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362454462 300067739 /nfs/dbraw/zinc/06/77/39/300067739.db2.gz QNQJGKAMIONJMU-UONOGXRCSA-N 1 1 319.361 1.695 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363304922 300247943 /nfs/dbraw/zinc/24/79/43/300247943.db2.gz MBOLJWVVDLJXAC-KFWWJZLASA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363304922 300247947 /nfs/dbraw/zinc/24/79/47/300247947.db2.gz MBOLJWVVDLJXAC-KFWWJZLASA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363304922 300247950 /nfs/dbraw/zinc/24/79/50/300247950.db2.gz MBOLJWVVDLJXAC-KFWWJZLASA-N 1 1 303.362 1.432 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000364300795 300372210 /nfs/dbraw/zinc/37/22/10/300372210.db2.gz GURFOZRAFNSNMS-UWVGGRQHSA-N 1 1 307.379 1.834 20 5 DDBDMO CC[C@H](C(N)=O)[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000364366515 300385080 /nfs/dbraw/zinc/38/50/80/300385080.db2.gz PTMPKUPGHFICHV-CYBMUJFWSA-N 1 1 318.377 1.838 20 5 DDBDMO CC[C@H](C(N)=O)[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000364366515 300385081 /nfs/dbraw/zinc/38/50/81/300385081.db2.gz PTMPKUPGHFICHV-CYBMUJFWSA-N 1 1 318.377 1.838 20 5 DDBDMO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422062 301024791 /nfs/dbraw/zinc/02/47/91/301024791.db2.gz KGZPAKLKQORXRQ-NEPJUHHUSA-N 1 1 302.338 1.979 20 5 DDBDMO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422062 301024792 /nfs/dbraw/zinc/02/47/92/301024792.db2.gz KGZPAKLKQORXRQ-NEPJUHHUSA-N 1 1 302.338 1.979 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368458388 301032542 /nfs/dbraw/zinc/03/25/42/301032542.db2.gz OBFDXTDCDNPENG-HNNXBMFYSA-N 1 1 321.377 1.363 20 5 DDBDMO Cc1cc(C2=CC[N@H+]([C@H](C)C(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000369906050 301237383 /nfs/dbraw/zinc/23/73/83/301237383.db2.gz KTKJTXYZGRQJPL-SNVBAGLBSA-N 1 1 304.350 1.448 20 5 DDBDMO Cc1cc(C2=CC[N@@H+]([C@H](C)C(N)=O)CC2)cc([N+](=O)[O-])c1N ZINC000369906050 301237386 /nfs/dbraw/zinc/23/73/86/301237386.db2.gz KTKJTXYZGRQJPL-SNVBAGLBSA-N 1 1 304.350 1.448 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370044616 301264626 /nfs/dbraw/zinc/26/46/26/301264626.db2.gz FQRNQKQOVVRJCI-AGIUHOORSA-N 1 1 305.382 1.244 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000375994949 302021146 /nfs/dbraw/zinc/02/11/46/302021146.db2.gz OJLALPCUDGNNMF-SCRDCRAPSA-N 1 1 308.382 1.844 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 ZINC000377791130 302233960 /nfs/dbraw/zinc/23/39/60/302233960.db2.gz ZDLPFZIAUNBWFZ-JSGCOSHPSA-N 1 1 306.366 1.825 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310175 302310559 /nfs/dbraw/zinc/31/05/59/302310559.db2.gz UHKFMKLURDJEOO-VXGBXAGGSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310175 302310561 /nfs/dbraw/zinc/31/05/61/302310561.db2.gz UHKFMKLURDJEOO-VXGBXAGGSA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000378310175 302310563 /nfs/dbraw/zinc/31/05/63/302310563.db2.gz UHKFMKLURDJEOO-VXGBXAGGSA-N 1 1 315.333 1.146 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735057 303550220 /nfs/dbraw/zinc/55/02/20/303550220.db2.gz JJBUCUSCVSLOMJ-UHFFFAOYSA-N 1 1 307.335 1.342 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000366316044 307070648 /nfs/dbraw/zinc/07/06/48/307070648.db2.gz TXZBQYXNATVWHL-QWRGUYRKSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000366316044 307070649 /nfs/dbraw/zinc/07/06/49/307070649.db2.gz TXZBQYXNATVWHL-QWRGUYRKSA-N 1 1 323.736 1.343 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000371511975 307151939 /nfs/dbraw/zinc/15/19/39/307151939.db2.gz ULRSRLPAANYTGF-OLZOCXBDSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000372614290 307172444 /nfs/dbraw/zinc/17/24/44/307172444.db2.gz SOSIMKCGHGWBOV-OAHLLOKOSA-N 1 1 305.334 1.712 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000372864756 307175217 /nfs/dbraw/zinc/17/52/17/307175217.db2.gz ABGHAJZUPPGXLZ-CYBMUJFWSA-N 1 1 319.361 1.914 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279338 307204964 /nfs/dbraw/zinc/20/49/64/307204964.db2.gz VGJHKYJTWGZXBS-ZMSDIMECSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000374279338 307204965 /nfs/dbraw/zinc/20/49/65/307204965.db2.gz VGJHKYJTWGZXBS-ZMSDIMECSA-N 1 1 317.389 1.680 20 5 DDBDMO C[C@]1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000374279338 307204966 /nfs/dbraw/zinc/20/49/66/307204966.db2.gz VGJHKYJTWGZXBS-ZMSDIMECSA-N 1 1 317.389 1.680 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC[C@@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000375325472 307222355 /nfs/dbraw/zinc/22/23/55/307222355.db2.gz DTIBIHWCLOOEBR-INIZCTEOSA-N 1 1 319.361 1.813 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@]12CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000375325472 307222356 /nfs/dbraw/zinc/22/23/56/307222356.db2.gz DTIBIHWCLOOEBR-INIZCTEOSA-N 1 1 319.361 1.813 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000376642894 307251198 /nfs/dbraw/zinc/25/11/98/307251198.db2.gz MLLUEUZLLUSESB-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000377645106 307275498 /nfs/dbraw/zinc/27/54/98/307275498.db2.gz BNGGDEYZRINVDP-ZFWWWQNUSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377645106 307275499 /nfs/dbraw/zinc/27/54/99/307275499.db2.gz BNGGDEYZRINVDP-ZFWWWQNUSA-N 1 1 315.377 1.863 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378474488 307288797 /nfs/dbraw/zinc/28/87/97/307288797.db2.gz RBEOYIPRHRRNOW-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1ocnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571158756 308191608 /nfs/dbraw/zinc/19/16/08/308191608.db2.gz VIQWTQVTIACHAT-LBPRGKRZSA-N 1 1 307.306 1.421 20 5 DDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000576088863 308287862 /nfs/dbraw/zinc/28/78/62/308287862.db2.gz LTTWPFKJJDZCOQ-JTQLQIEISA-N 1 1 312.345 1.410 20 5 DDBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000576088863 308287864 /nfs/dbraw/zinc/28/78/64/308287864.db2.gz LTTWPFKJJDZCOQ-JTQLQIEISA-N 1 1 312.345 1.410 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577200406 308370399 /nfs/dbraw/zinc/37/03/99/308370399.db2.gz NULOOMZWIQREJO-NWDGAFQWSA-N 1 1 304.350 1.607 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000584308594 332236440 /nfs/dbraw/zinc/23/64/40/332236440.db2.gz OXUGFTWVLFOXSY-QWRGUYRKSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000584308594 332236441 /nfs/dbraw/zinc/23/64/41/332236441.db2.gz OXUGFTWVLFOXSY-QWRGUYRKSA-N 1 1 322.365 1.614 20 5 DDBDMO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361705 332353758 /nfs/dbraw/zinc/35/37/58/332353758.db2.gz PNXLTCHCCYVXKF-GXTWGEPZSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361705 332353759 /nfs/dbraw/zinc/35/37/59/332353759.db2.gz PNXLTCHCCYVXKF-GXTWGEPZSA-N 1 1 324.377 1.365 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1C ZINC000487986706 484212873 /nfs/dbraw/zinc/21/28/73/484212873.db2.gz JZFOEXLZWYEGIN-UKRRQHHQSA-N 1 1 323.393 1.894 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)ccc1[N+](=O)[O-] ZINC000451136257 533795371 /nfs/dbraw/zinc/79/53/71/533795371.db2.gz FIZQDMPEAORWIN-CJNGLKHVSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000443349072 533823789 /nfs/dbraw/zinc/82/37/89/533823789.db2.gz SYPVCIUBNNRCJE-BZPMIXESSA-N 1 1 309.366 1.238 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444525 521327063 /nfs/dbraw/zinc/32/70/63/521327063.db2.gz COPPJLYFHGEBFH-VHSXEESVSA-N 1 1 309.370 1.470 20 5 DDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000154777562 525680649 /nfs/dbraw/zinc/68/06/49/525680649.db2.gz SFYBMKYSJITJPQ-GZMMTYOYSA-N 1 1 300.746 1.774 20 5 DDBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000154777562 525680656 /nfs/dbraw/zinc/68/06/56/525680656.db2.gz SFYBMKYSJITJPQ-GZMMTYOYSA-N 1 1 300.746 1.774 20 5 DDBDMO CCCCOCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459493357 528589913 /nfs/dbraw/zinc/58/99/13/528589913.db2.gz HCULNWOHTQUENI-UHFFFAOYSA-N 1 1 308.382 1.929 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000330973386 528743267 /nfs/dbraw/zinc/74/32/67/528743267.db2.gz KUFMPEPZBBQCFZ-HNNXBMFYSA-N 1 1 320.393 1.805 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000457722491 528984242 /nfs/dbraw/zinc/98/42/42/528984242.db2.gz OBZOECAJEKKJDG-UHFFFAOYSA-N 1 1 313.304 1.624 20 5 DDBDMO CCC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000296670098 529026373 /nfs/dbraw/zinc/02/63/73/529026373.db2.gz GSORQUTXKARZSE-CYBMUJFWSA-N 1 1 321.377 1.514 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452123215 529076570 /nfs/dbraw/zinc/07/65/70/529076570.db2.gz VIKUPPZXNZFQNA-ZDUSSCGKSA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000746882332 700043484 /nfs/dbraw/zinc/04/34/84/700043484.db2.gz LQOUHRLHVGCPGK-SNVBAGLBSA-N 1 1 323.324 1.466 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000748345186 700111083 /nfs/dbraw/zinc/11/10/83/700111083.db2.gz KYAVWBOMQFXHPK-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000748345186 700111084 /nfs/dbraw/zinc/11/10/84/700111084.db2.gz KYAVWBOMQFXHPK-SNVBAGLBSA-N 1 1 321.333 1.142 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000151275371 696882941 /nfs/dbraw/zinc/88/29/41/696882941.db2.gz FIWIVKNPXQQTGJ-AWEZNQCLSA-N 1 1 306.366 1.589 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000981137921 697015454 /nfs/dbraw/zinc/01/54/54/697015454.db2.gz HVXNXMFVBJUPJH-VXGBXAGGSA-N 1 1 317.336 1.231 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000981137921 697015457 /nfs/dbraw/zinc/01/54/57/697015457.db2.gz HVXNXMFVBJUPJH-VXGBXAGGSA-N 1 1 317.336 1.231 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000981137921 697015460 /nfs/dbraw/zinc/01/54/60/697015460.db2.gz HVXNXMFVBJUPJH-VXGBXAGGSA-N 1 1 317.336 1.231 20 5 DDBDMO CC(C)C(=O)N1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985274511 697478596 /nfs/dbraw/zinc/47/85/96/697478596.db2.gz NYFSJSQPYCSDID-UHFFFAOYSA-N 1 1 323.397 1.407 20 5 DDBDMO CC(C)C(=O)N1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985274511 697478598 /nfs/dbraw/zinc/47/85/98/697478598.db2.gz NYFSJSQPYCSDID-UHFFFAOYSA-N 1 1 323.397 1.407 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000775100186 697962884 /nfs/dbraw/zinc/96/28/84/697962884.db2.gz BMGVMDGDFXPSAY-CABZTGNLSA-N 1 1 323.305 1.886 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000775100186 697962886 /nfs/dbraw/zinc/96/28/86/697962886.db2.gz BMGVMDGDFXPSAY-CABZTGNLSA-N 1 1 323.305 1.886 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000775775780 698031098 /nfs/dbraw/zinc/03/10/98/698031098.db2.gz BDQWSCRYANIKJU-CQSZACIVSA-N 1 1 316.317 1.182 20 5 DDBDMO Cc1nn(C[N@@H+]2CCCO[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954640 700194385 /nfs/dbraw/zinc/19/43/85/700194385.db2.gz LRXCLRFJXGNWKN-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@H+]2CCCO[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954640 700194386 /nfs/dbraw/zinc/19/43/86/700194386.db2.gz LRXCLRFJXGNWKN-JTQLQIEISA-N 1 1 305.338 1.716 20 5 DDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776271805 698090270 /nfs/dbraw/zinc/09/02/70/698090270.db2.gz HKHOOXMNMGWFGO-HIFRSBDPSA-N 1 1 322.361 1.903 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580559 698120701 /nfs/dbraw/zinc/12/07/01/698120701.db2.gz WJWWKQOYHIPELB-XJKSGUPXSA-N 1 1 321.377 1.476 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000776586270 698122005 /nfs/dbraw/zinc/12/20/05/698122005.db2.gz LVOIGBONQSZNGK-MRXNPFEDSA-N 1 1 317.345 1.518 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCOCC2)c1 ZINC000750890768 700255206 /nfs/dbraw/zinc/25/52/06/700255206.db2.gz NQUMCYBBXDPLEV-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000594375436 699216155 /nfs/dbraw/zinc/21/61/55/699216155.db2.gz OOAVKQLIFASVJF-AOOOYVTPSA-N 1 1 308.338 1.250 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788114521 699279714 /nfs/dbraw/zinc/27/97/14/699279714.db2.gz FCOOEUVZPJXXTJ-YPMHNXCESA-N 1 1 308.338 1.351 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000729469399 699479552 /nfs/dbraw/zinc/47/95/52/699479552.db2.gz GINYIKKKAWDNCV-NEPJUHHUSA-N 1 1 319.365 1.764 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000796117456 699913575 /nfs/dbraw/zinc/91/35/75/699913575.db2.gz ZYYTZSLCJBXFNB-UHFFFAOYSA-N 1 1 319.321 1.874 20 5 DDBDMO C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000751348956 700281754 /nfs/dbraw/zinc/28/17/54/700281754.db2.gz CNVLATHEVWCLCI-GFCCVEGCSA-N 1 1 307.350 1.494 20 5 DDBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000761082512 700841877 /nfs/dbraw/zinc/84/18/77/700841877.db2.gz QDLZHEHGUXUWGT-LBPRGKRZSA-N 1 1 306.366 1.194 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@@H+]1C ZINC000761096186 700843072 /nfs/dbraw/zinc/84/30/72/700843072.db2.gz ZPAVYKYHYHAZJS-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000761096186 700843074 /nfs/dbraw/zinc/84/30/74/700843074.db2.gz ZPAVYKYHYHAZJS-JTQLQIEISA-N 1 1 302.334 1.852 20 5 DDBDMO COc1cccc(C(=O)NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000770739795 701292837 /nfs/dbraw/zinc/29/28/37/701292837.db2.gz MFGNFBCSIRNLQU-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000807960070 701492238 /nfs/dbraw/zinc/49/22/38/701492238.db2.gz LFYHIUYDTDJUIK-GFCCVEGCSA-N 1 1 320.393 1.845 20 5 DDBDMO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839516035 701721930 /nfs/dbraw/zinc/72/19/30/701721930.db2.gz DSUHNNGXBXSMSM-BZUAXINKSA-N 1 1 319.405 1.721 20 5 DDBDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576036 701898482 /nfs/dbraw/zinc/89/84/82/701898482.db2.gz HKIVUIJNQFUYRK-YUTCNCBUSA-N 1 1 320.393 1.691 20 5 DDBDMO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576036 701898487 /nfs/dbraw/zinc/89/84/87/701898487.db2.gz HKIVUIJNQFUYRK-YUTCNCBUSA-N 1 1 320.393 1.691 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879245409 706627398 /nfs/dbraw/zinc/62/73/98/706627398.db2.gz XLWALMHTLCZDBB-HOTGVXAUSA-N 1 1 316.361 1.989 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866206770 706648622 /nfs/dbraw/zinc/64/86/22/706648622.db2.gz NAYJROBUMLTZJL-VXGBXAGGSA-N 1 1 304.350 1.224 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@H]21 ZINC000866210230 706649640 /nfs/dbraw/zinc/64/96/40/706649640.db2.gz ZTVKBWRTQQZKTQ-IINYFYTJSA-N 1 1 306.366 1.200 20 5 DDBDMO CC(C)(CCc1noc([C@@H]2CCn3cc[nH+]c3C2)n1)[N+](=O)[O-] ZINC000812815100 702246558 /nfs/dbraw/zinc/24/65/58/702246558.db2.gz YLDLBZJUVLMXJI-SNVBAGLBSA-N 1 1 305.338 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000812876674 702257030 /nfs/dbraw/zinc/25/70/30/702257030.db2.gz OGRVMWVDKNDWRN-HUUCEWRRSA-N 1 1 302.334 1.772 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@H+]1C ZINC000817131723 702281501 /nfs/dbraw/zinc/28/15/01/702281501.db2.gz MGMGJLOLNOMNHO-GFCCVEGCSA-N 1 1 306.366 1.485 20 5 DDBDMO CO[C@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481551 703555498 /nfs/dbraw/zinc/55/54/98/703555498.db2.gz ZZZVOGHIYCQCMF-LSDHHAIUSA-N 1 1 319.361 1.589 20 5 DDBDMO CO[C@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848481551 703555499 /nfs/dbraw/zinc/55/54/99/703555499.db2.gz ZZZVOGHIYCQCMF-LSDHHAIUSA-N 1 1 319.361 1.589 20 5 DDBDMO COCC[N@H+](CCC(=O)OC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851771943 703851437 /nfs/dbraw/zinc/85/14/37/703851437.db2.gz SKCFNRHGUBJQCG-UHFFFAOYSA-N 1 1 314.313 1.745 20 5 DDBDMO COCC[N@@H+](CCC(=O)OC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851771943 703851441 /nfs/dbraw/zinc/85/14/41/703851441.db2.gz SKCFNRHGUBJQCG-UHFFFAOYSA-N 1 1 314.313 1.745 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000869896384 703872778 /nfs/dbraw/zinc/87/27/78/703872778.db2.gz AUKKURNOMAVRTG-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819290197 704101777 /nfs/dbraw/zinc/10/17/77/704101777.db2.gz WFGGTCQURHSWQT-ZDUSSCGKSA-N 1 1 319.365 1.765 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871155862 704233303 /nfs/dbraw/zinc/23/33/03/704233303.db2.gz FORGVGZLJAIJBD-UHFFFAOYSA-N 1 1 308.338 1.252 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000855286451 704477423 /nfs/dbraw/zinc/47/74/23/704477423.db2.gz RRSZOPWPJBLCJX-SNVBAGLBSA-N 1 1 306.366 1.780 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438692 706976825 /nfs/dbraw/zinc/97/68/25/706976825.db2.gz SRXMXBVLTIBYFF-VXGBXAGGSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000880438692 706976826 /nfs/dbraw/zinc/97/68/26/706976826.db2.gz SRXMXBVLTIBYFF-VXGBXAGGSA-N 1 1 307.350 1.687 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860159524 705118053 /nfs/dbraw/zinc/11/80/53/705118053.db2.gz LDZCWDCOPXDWSD-ZYHUDNBSSA-N 1 1 322.317 1.087 20 5 DDBDMO CCn1nc(C)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000823789345 705317912 /nfs/dbraw/zinc/31/79/12/705317912.db2.gz KYNYOXZRKFZRFN-UHFFFAOYSA-N 1 1 305.338 1.683 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098961 705599472 /nfs/dbraw/zinc/59/94/72/705599472.db2.gz RAHWASLORUWKMO-SWLSCSKDSA-N 1 1 321.377 1.476 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825471958 705677298 /nfs/dbraw/zinc/67/72/98/705677298.db2.gz FVZGOJPTJOZFHC-IUODEOHRSA-N 1 1 321.377 1.475 20 5 DDBDMO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000825664407 705710686 /nfs/dbraw/zinc/71/06/86/705710686.db2.gz FAAVRXXHNGPZMH-IINYFYTJSA-N 1 1 307.350 1.227 20 5 DDBDMO C/C(=C\C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000863319833 705900372 /nfs/dbraw/zinc/90/03/72/705900372.db2.gz PIANAICXVPDSEJ-HBIYDYFMSA-N 1 1 319.361 1.181 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000827459526 706006771 /nfs/dbraw/zinc/00/67/71/706006771.db2.gz LMLBUQVYBVEQGL-ZDUSSCGKSA-N 1 1 321.381 1.233 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000877578126 706147780 /nfs/dbraw/zinc/14/77/80/706147780.db2.gz VOMMXSQYVWFCGR-ZFWWWQNUSA-N 1 1 319.361 1.301 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000877578126 706147783 /nfs/dbraw/zinc/14/77/83/706147783.db2.gz VOMMXSQYVWFCGR-ZFWWWQNUSA-N 1 1 319.361 1.301 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000877653514 706171061 /nfs/dbraw/zinc/17/10/61/706171061.db2.gz LNAZGLBVRFOZPA-MRXNPFEDSA-N 1 1 316.361 1.812 20 5 DDBDMO O=[N+]([O-])c1ccc(-n2cc(CCC[NH+]3CCOCC3)nn2)cc1 ZINC000864621606 706215579 /nfs/dbraw/zinc/21/55/79/706215579.db2.gz ROVPXPMVEOFOEQ-UHFFFAOYSA-N 1 1 317.349 1.440 20 5 DDBDMO COCC1([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000880186513 706904843 /nfs/dbraw/zinc/90/48/43/706904843.db2.gz ZXIGUZWCODHUPZ-CYBMUJFWSA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1 ZINC000834657131 707099307 /nfs/dbraw/zinc/09/93/07/707099307.db2.gz SFHPRAKURUIQRT-AOOOYVTPSA-N 1 1 309.753 1.882 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000872632729 707524173 /nfs/dbraw/zinc/52/41/73/707524173.db2.gz GRWJZDSACYWUTL-XPTSAGLGSA-N 1 1 310.354 1.497 20 5 DDBDMO COC(=O)[C@@]1(C)C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000872632729 707524177 /nfs/dbraw/zinc/52/41/77/707524177.db2.gz GRWJZDSACYWUTL-XPTSAGLGSA-N 1 1 310.354 1.497 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000837187652 707593778 /nfs/dbraw/zinc/59/37/78/707593778.db2.gz AWXNEKKIGZBJAS-GJZGRUSLSA-N 1 1 321.377 1.569 20 5 DDBDMO Cc1c(C[NH2+]C[C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873041912 707705524 /nfs/dbraw/zinc/70/55/24/707705524.db2.gz CHPBNSMHIJFRJN-AWEZNQCLSA-N 1 1 320.437 1.876 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000883757263 708059869 /nfs/dbraw/zinc/05/98/69/708059869.db2.gz HTHZVSQQRSSMER-ZDUSSCGKSA-N 1 1 306.366 1.797 20 5 DDBDMO CNC(=O)C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886184188 708711720 /nfs/dbraw/zinc/71/17/20/708711720.db2.gz WGRNZBPTTZMRDT-AWEZNQCLSA-N 1 1 314.345 1.957 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000928438656 713195935 /nfs/dbraw/zinc/19/59/35/713195935.db2.gz GVYAKOOSOLDLNT-GXFFZTMASA-N 1 1 314.345 1.965 20 5 DDBDMO C[C@H]1[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928435438 713194429 /nfs/dbraw/zinc/19/44/29/713194429.db2.gz GOTSLOXNZUWBCY-JOYOIKCWSA-N 1 1 313.304 1.895 20 5 DDBDMO C[C@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928444672 713199093 /nfs/dbraw/zinc/19/90/93/713199093.db2.gz LQNYSNGWTNEZQQ-NWDGAFQWSA-N 1 1 307.350 1.573 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635600 710830800 /nfs/dbraw/zinc/83/08/00/710830800.db2.gz AWYHMDWWNQMIRW-QWHCGFSZSA-N 1 1 305.338 1.715 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328396 711485657 /nfs/dbraw/zinc/48/56/57/711485657.db2.gz FZUADFQDTPVDTO-GWCFXTLKSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328396 711485660 /nfs/dbraw/zinc/48/56/60/711485660.db2.gz FZUADFQDTPVDTO-GWCFXTLKSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895366286 711495150 /nfs/dbraw/zinc/49/51/50/711495150.db2.gz JUWFSMBVTQUBSG-MSRIBSCDSA-N 1 1 310.350 1.758 20 5 DDBDMO CN(C)c1cc[nH+]c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000905524618 712064438 /nfs/dbraw/zinc/06/44/38/712064438.db2.gz KFIUFXKJNNRSSA-INIZCTEOSA-N 1 1 316.361 1.879 20 5 DDBDMO CCO[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000905577778 712084195 /nfs/dbraw/zinc/08/41/95/712084195.db2.gz BOORPHKLJLUQNL-HUUCEWRRSA-N 1 1 311.382 1.185 20 5 DDBDMO CCO[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC000905577779 712084230 /nfs/dbraw/zinc/08/42/30/712084230.db2.gz BOORPHKLJLUQNL-LSDHHAIUSA-N 1 1 311.382 1.185 20 5 DDBDMO C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807202 713303469 /nfs/dbraw/zinc/30/34/69/713303469.db2.gz XTCOLYBPDLLWJQ-JRPNMDOOSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807202 713303471 /nfs/dbraw/zinc/30/34/71/713303471.db2.gz XTCOLYBPDLLWJQ-JRPNMDOOSA-N 1 1 307.350 1.227 20 5 DDBDMO C[N@H+]1CCC[C@@H]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000917357463 713494636 /nfs/dbraw/zinc/49/46/36/713494636.db2.gz UNAVSQRCYGLLOI-GFCCVEGCSA-N 1 1 304.306 1.506 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930619792 713878968 /nfs/dbraw/zinc/87/89/68/713878968.db2.gz HWKXEYHQRBSTKL-LBPRGKRZSA-N 1 1 321.381 1.606 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000930619792 713878971 /nfs/dbraw/zinc/87/89/71/713878971.db2.gz HWKXEYHQRBSTKL-LBPRGKRZSA-N 1 1 321.381 1.606 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCn2cc[nH+]c21 ZINC000931524710 714119398 /nfs/dbraw/zinc/11/93/98/714119398.db2.gz UTDYTCMRSGLPDL-SNVBAGLBSA-N 1 1 301.306 1.639 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])n1 ZINC000934329822 714796621 /nfs/dbraw/zinc/79/66/21/714796621.db2.gz UGRYKKDACKQZFH-SNVBAGLBSA-N 1 1 307.379 1.849 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000935169252 714994206 /nfs/dbraw/zinc/99/42/06/714994206.db2.gz YWZQJRPKMBNCBK-GHMZBOCLSA-N 1 1 309.370 1.041 20 5 DDBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767099 721279251 /nfs/dbraw/zinc/27/92/51/721279251.db2.gz GCXVJELVTRAMMS-UHFFFAOYSA-N 1 1 323.784 1.960 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165054396 722009788 /nfs/dbraw/zinc/00/97/88/722009788.db2.gz XFLIDDLVAPCCNC-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC001167147676 732765335 /nfs/dbraw/zinc/76/53/35/732765335.db2.gz ZIMDTOJTIOTRLE-UHFFFAOYSA-N 1 1 317.349 1.331 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167354749 733280946 /nfs/dbraw/zinc/28/09/46/733280946.db2.gz CUWAMSLMIUDRDU-UHFFFAOYSA-N 1 1 314.280 1.406 20 5 DDBDMO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063718 734368141 /nfs/dbraw/zinc/36/81/41/734368141.db2.gz ISUPNFGMBCKZDE-LXTVHRRPSA-N 1 1 321.352 1.536 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022063532 734368705 /nfs/dbraw/zinc/36/87/05/734368705.db2.gz CYNDEXLUGBYMKT-YVECIDJPSA-N 1 1 309.391 1.459 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)[nH]1 ZINC001195213836 746550969 /nfs/dbraw/zinc/55/09/69/746550969.db2.gz JPODTERDZCKYOA-LLVKDONJSA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC001195213836 746550970 /nfs/dbraw/zinc/55/09/70/746550970.db2.gz JPODTERDZCKYOA-LLVKDONJSA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC001195213836 746550973 /nfs/dbraw/zinc/55/09/73/746550973.db2.gz JPODTERDZCKYOA-LLVKDONJSA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n[nH]1 ZINC001195213836 746550976 /nfs/dbraw/zinc/55/09/76/746550976.db2.gz JPODTERDZCKYOA-LLVKDONJSA-N 1 1 305.342 1.016 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)n[nH]1 ZINC001195213836 746550977 /nfs/dbraw/zinc/55/09/77/746550977.db2.gz JPODTERDZCKYOA-LLVKDONJSA-N 1 1 305.342 1.016 20 5 DDBDMO O=C1OCC[C@@]12CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198810552 747619562 /nfs/dbraw/zinc/61/95/62/747619562.db2.gz MIHWBCPFLRBZEH-OAHLLOKOSA-N 1 1 306.318 1.613 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642985 750624583 /nfs/dbraw/zinc/62/45/83/750624583.db2.gz INHJPJLSHDCIOF-KLHDSHLOSA-N 1 1 317.389 1.869 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011994 762178924 /nfs/dbraw/zinc/17/89/24/762178924.db2.gz OMIMZTMCAYEEAZ-RCWTZXSCSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)C1 ZINC001169011994 762178927 /nfs/dbraw/zinc/17/89/27/762178927.db2.gz OMIMZTMCAYEEAZ-RCWTZXSCSA-N 1 1 314.279 1.769 20 5 DDBDMO COc1cnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169054635 762210226 /nfs/dbraw/zinc/21/02/26/762210226.db2.gz NBNGEQKJJFLVTF-JHJVBQTASA-N 1 1 322.365 1.384 20 5 DDBDMO CCC(CC)C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399857 754281610 /nfs/dbraw/zinc/28/16/10/754281610.db2.gz NTSJCDYGKFQHSP-HUUCEWRRSA-N 1 1 311.426 1.916 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170339522 766272944 /nfs/dbraw/zinc/27/29/44/766272944.db2.gz CQFGALNCFWYAFP-UHFFFAOYSA-N 1 1 302.294 1.172 20 5 DDBDMO CN1CCN(C(=[NH2+])Nc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001157915099 767283844 /nfs/dbraw/zinc/28/38/44/767283844.db2.gz PCZCANGOVBAKLU-UHFFFAOYSA-N 1 1 315.337 1.132 20 5 DDBDMO O=C(C1CC1)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048636853 769604980 /nfs/dbraw/zinc/60/49/80/769604980.db2.gz XDLBZRLQNRABDD-GASCZTMLSA-N 1 1 315.373 1.895 20 5 DDBDMO Nc1c(Cl)cc(C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001136908916 772208102 /nfs/dbraw/zinc/20/81/02/772208102.db2.gz KKUCDNZXTJKIKZ-UHFFFAOYSA-N 1 1 310.741 1.432 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001093952396 775260522 /nfs/dbraw/zinc/26/05/22/775260522.db2.gz AACHZQBOIOGXHL-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO C[N@@H+](CCNC(=O)C1=COCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266252880 835990412 /nfs/dbraw/zinc/99/04/12/835990412.db2.gz DTXBRHDAQWGWMW-UHFFFAOYSA-N 1 1 321.333 1.031 20 5 DDBDMO CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371838 837933840 /nfs/dbraw/zinc/93/38/40/837933840.db2.gz XBMHNGDKYFJHJK-OVUXIIJLSA-N 1 1 303.362 1.413 20 5 DDBDMO CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC001326489241 861403711 /nfs/dbraw/zinc/40/37/11/861403711.db2.gz PLPNIQUVRHFISD-KGLIPLIRSA-N 1 1 307.350 1.181 20 5 DDBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]([NH3+])CC(F)F)n2)n1C ZINC001326513953 861419853 /nfs/dbraw/zinc/41/98/53/861419853.db2.gz ZMOBLICSYHSALC-YFKPBYRVSA-N 1 1 302.241 1.342 20 5 DDBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001141841037 860955740 /nfs/dbraw/zinc/95/57/40/860955740.db2.gz LECFEHGHKRPJJM-UHFFFAOYSA-N 1 1 313.277 1.459 20 5 DDBDMO COc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001225436621 881832458 /nfs/dbraw/zinc/83/24/58/881832458.db2.gz XBQHPSRJVMFSDL-JBCWJZNQSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ccc1[N+](=O)[O-] ZINC001225436621 881832479 /nfs/dbraw/zinc/83/24/79/881832479.db2.gz XBQHPSRJVMFSDL-JBCWJZNQSA-N 1 1 306.318 1.786 20 5 DDBDMO C[N@@H+]1CCc2c(NCCn3ccnn3)ccc([N+](=O)[O-])c2C1 ZINC001161930820 867108736 /nfs/dbraw/zinc/10/87/36/867108736.db2.gz AIYHUUFUDYDEKS-UHFFFAOYSA-N 1 1 302.338 1.286 20 5 DDBDMO C[N@H+]1CCc2c(NCCn3ccnn3)ccc([N+](=O)[O-])c2C1 ZINC001161930820 867108744 /nfs/dbraw/zinc/10/87/44/867108744.db2.gz AIYHUUFUDYDEKS-UHFFFAOYSA-N 1 1 302.338 1.286 20 5 DDBDMO CO[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@@H]1F ZINC001164129664 868962304 /nfs/dbraw/zinc/96/23/04/868962304.db2.gz KXELLSYGLKSPJJ-SOHMCZBRSA-N 1 1 310.329 1.695 20 5 DDBDMO CC(=O)c1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727479 869112079 /nfs/dbraw/zinc/11/20/79/869112079.db2.gz WLMFEQYQKCLRNX-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727479 869112083 /nfs/dbraw/zinc/11/20/83/869112083.db2.gz WLMFEQYQKCLRNX-ZBEGNZNMSA-N 1 1 320.393 1.844 20 5 DDBDMO COc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)nc(C)c1[N+](=O)[O-] ZINC001165261936 869477037 /nfs/dbraw/zinc/47/70/37/869477037.db2.gz TVCQPBZZCNHDJN-NSHDSACASA-N 1 1 309.370 1.846 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001337533172 869528116 /nfs/dbraw/zinc/52/81/16/869528116.db2.gz AWCYICGDJKFHPU-GFCCVEGCSA-N 1 1 309.341 1.877 20 5 DDBDMO C[C@@H](O)[C@@H](CO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001308432902 871498066 /nfs/dbraw/zinc/49/80/66/871498066.db2.gz DDSDQHTWXHBJBX-GMSGAONNSA-N 1 1 319.155 1.189 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001308982660 871544763 /nfs/dbraw/zinc/54/47/63/871544763.db2.gz FVLIVSWWJKWIIW-KGLIPLIRSA-N 1 1 308.378 1.634 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CC=CC1 ZINC001318711990 872222242 /nfs/dbraw/zinc/22/22/42/872222242.db2.gz CCUKMKTXTVTBLU-UHFFFAOYSA-N 1 1 304.350 1.262 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001343018565 872470546 /nfs/dbraw/zinc/47/05/46/872470546.db2.gz ABXKYYLTUQNBLD-LBPRGKRZSA-N 1 1 324.381 1.911 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001348969843 874902557 /nfs/dbraw/zinc/90/25/57/874902557.db2.gz JICKUAJEBJEVGG-XHDPSFHLSA-N 1 1 318.377 1.803 20 5 DDBDMO O=[N+]([O-])CC[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001356585817 879114794 /nfs/dbraw/zinc/11/47/94/879114794.db2.gz WALIVZXAQOIBNB-SNVBAGLBSA-N 1 1 312.675 1.956 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1OCC[N@@H+]1CC[C@@H](OC)C1 ZINC001229060009 883796012 /nfs/dbraw/zinc/79/60/12/883796012.db2.gz ZBRXIAXKFMISPL-GFCCVEGCSA-N 1 1 324.333 1.481 20 5 DDBDMO [NH3+][C@@H](CCCCO)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249307601 893923135 /nfs/dbraw/zinc/92/31/35/893923135.db2.gz SBUFWGZFTDASPH-QMMMGPOBSA-N 1 1 311.273 1.341 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nncn2CC1 ZINC001254553496 896499382 /nfs/dbraw/zinc/49/93/82/896499382.db2.gz WDLGOACBEBESKM-GFCCVEGCSA-N 1 1 301.350 1.676 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC001261648132 899681452 /nfs/dbraw/zinc/68/14/52/899681452.db2.gz TUPDZMXDQNFETK-LLVKDONJSA-N 1 1 304.354 1.781 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001262653900 900286230 /nfs/dbraw/zinc/28/62/30/900286230.db2.gz SNFWAPWLJSKNBW-CYBMUJFWSA-N 1 1 307.350 1.574 20 5 DDBDMO C/C=C(\C)C(=O)NCCC[N@@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC001265107157 901568300 /nfs/dbraw/zinc/56/83/00/901568300.db2.gz BIFOCBCTIFDWSH-LFYBBSHMSA-N 1 1 323.397 1.623 20 5 DDBDMO C/C=C(\C)C(=O)NCCC[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC001265107157 901568310 /nfs/dbraw/zinc/56/83/10/901568310.db2.gz BIFOCBCTIFDWSH-LFYBBSHMSA-N 1 1 323.397 1.623 20 5 DDBDMO CC[C@H](CO)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000295836663 529381922 /nfs/dbraw/zinc/38/19/22/529381922.db2.gz ZCRZEJZWPHYQBH-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305770778 231048540 /nfs/dbraw/zinc/04/85/40/231048540.db2.gz XYLPSRHELDHNNT-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305770778 231048544 /nfs/dbraw/zinc/04/85/44/231048544.db2.gz XYLPSRHELDHNNT-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000451935506 231240718 /nfs/dbraw/zinc/24/07/18/231240718.db2.gz WEYLLFFOUADFER-OAHLLOKOSA-N 1 1 310.350 1.304 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452114907 231307812 /nfs/dbraw/zinc/30/78/12/231307812.db2.gz AZEPGPYCJNQKSG-SNVBAGLBSA-N 1 1 315.320 1.371 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452114907 231307815 /nfs/dbraw/zinc/30/78/15/231307815.db2.gz AZEPGPYCJNQKSG-SNVBAGLBSA-N 1 1 315.320 1.371 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1CCCO ZINC000452345773 231354179 /nfs/dbraw/zinc/35/41/79/231354179.db2.gz FTSXFBRLCFOOHM-CQSZACIVSA-N 1 1 321.377 1.100 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000495209544 529573477 /nfs/dbraw/zinc/57/34/77/529573477.db2.gz BCNULLOPQBLBQU-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895499 362067247 /nfs/dbraw/zinc/06/72/47/362067247.db2.gz VJYSAKRXWLVWMY-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895499 362067253 /nfs/dbraw/zinc/06/72/53/362067253.db2.gz VJYSAKRXWLVWMY-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293025974 282361317 /nfs/dbraw/zinc/36/13/17/282361317.db2.gz FVSVUIIQRSXRBT-CHWSQXEVSA-N 1 1 310.350 1.181 20 5 DDBDMO COc1c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330779573 232061705 /nfs/dbraw/zinc/06/17/05/232061705.db2.gz CUWMQZNQUFAXIX-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330779573 232061709 /nfs/dbraw/zinc/06/17/09/232061709.db2.gz CUWMQZNQUFAXIX-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO CCOC1CC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000287000831 219263419 /nfs/dbraw/zinc/26/34/19/219263419.db2.gz QBKCTQBSSWMQDW-BBBYJDLNSA-N 1 1 324.377 1.834 20 5 DDBDMO CN(C)CC(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459544710 233295982 /nfs/dbraw/zinc/29/59/82/233295982.db2.gz FFNWCAJRBSHDBS-UHFFFAOYSA-N 1 1 320.393 1.414 20 5 DDBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287101214 219314531 /nfs/dbraw/zinc/31/45/31/219314531.db2.gz XTVTYGGCSSRBAB-LLVKDONJSA-N 1 1 311.342 1.002 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768471 186111627 /nfs/dbraw/zinc/11/16/27/186111627.db2.gz KCTHFDRRDGIYLI-NEPJUHHUSA-N 1 1 321.381 1.193 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851823 186193654 /nfs/dbraw/zinc/19/36/54/186193654.db2.gz DOSKMLLLVZWTPP-BXUZGUMPSA-N 1 1 307.350 1.411 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851823 186193656 /nfs/dbraw/zinc/19/36/56/186193656.db2.gz DOSKMLLLVZWTPP-BXUZGUMPSA-N 1 1 307.350 1.411 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000181868085 186213170 /nfs/dbraw/zinc/21/31/70/186213170.db2.gz NAHURKVYNLBLOG-MELADBBJSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000181868085 186213172 /nfs/dbraw/zinc/21/31/72/186213172.db2.gz NAHURKVYNLBLOG-MELADBBJSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172019062 198026584 /nfs/dbraw/zinc/02/65/84/198026584.db2.gz HDOZLZZBZCRNJF-UHFFFAOYSA-N 1 1 301.368 1.133 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc1 ZINC000601258133 358467161 /nfs/dbraw/zinc/46/71/61/358467161.db2.gz YHRBOZNLMDNOFF-UHFFFAOYSA-N 1 1 315.333 1.413 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032429832 352279577 /nfs/dbraw/zinc/27/95/77/352279577.db2.gz JTKQKUSGKNJMLF-UPJWGTAASA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032429832 352279581 /nfs/dbraw/zinc/27/95/81/352279581.db2.gz JTKQKUSGKNJMLF-UPJWGTAASA-N 1 1 321.377 1.822 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2C)c1 ZINC000052153917 352601606 /nfs/dbraw/zinc/60/16/06/352601606.db2.gz ULEBRCPYHSUSGA-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000057138226 352800346 /nfs/dbraw/zinc/80/03/46/352800346.db2.gz JDSAIDURVJTVTL-UHFFFAOYSA-N 1 1 310.329 1.356 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccncc2[N+](=O)[O-])CC1 ZINC000060380151 352869840 /nfs/dbraw/zinc/86/98/40/352869840.db2.gz MMESHNQJVOFVTO-ZDUSSCGKSA-N 1 1 307.398 1.675 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000066631300 353008910 /nfs/dbraw/zinc/00/89/10/353008910.db2.gz WJGLSPVBSYFTFO-UHFFFAOYSA-N 1 1 321.333 1.190 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000067633736 353058982 /nfs/dbraw/zinc/05/89/82/353058982.db2.gz YYXMFCRXDFEDBW-ZDUSSCGKSA-N 1 1 321.377 1.820 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000067795914 353067595 /nfs/dbraw/zinc/06/75/95/353067595.db2.gz NGZCCQJLIFHMAS-UKRRQHHQSA-N 1 1 319.361 1.960 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000068468055 353113342 /nfs/dbraw/zinc/11/33/42/353113342.db2.gz JGSLDYQFMWJVID-UHFFFAOYSA-N 1 1 304.350 1.617 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068211117 353096175 /nfs/dbraw/zinc/09/61/75/353096175.db2.gz VKEZKUZPFPNOCX-CHWSQXEVSA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000068226859 353097510 /nfs/dbraw/zinc/09/75/10/353097510.db2.gz KVLSOTTXTCJKNJ-NWDGAFQWSA-N 1 1 323.397 1.336 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000069502710 353164452 /nfs/dbraw/zinc/16/44/52/353164452.db2.gz XIQBPKSNGCSNLQ-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000491989714 234352769 /nfs/dbraw/zinc/35/27/69/234352769.db2.gz HTOPRPAXZVCTES-BQYQJAHWSA-N 1 1 301.346 1.986 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000074095315 353290507 /nfs/dbraw/zinc/29/05/07/353290507.db2.gz GOTVASHBRDYRSC-UHFFFAOYSA-N 1 1 303.322 1.324 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075783738 353379589 /nfs/dbraw/zinc/37/95/89/353379589.db2.gz HIAOAKKLAKTIJL-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000075783738 353379591 /nfs/dbraw/zinc/37/95/91/353379591.db2.gz HIAOAKKLAKTIJL-SNVBAGLBSA-N 1 1 306.322 1.848 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079554573 353567621 /nfs/dbraw/zinc/56/76/21/353567621.db2.gz JIUGHIHINDJBTI-MIGQKNRLSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000079554573 353567622 /nfs/dbraw/zinc/56/76/22/353567622.db2.gz JIUGHIHINDJBTI-MIGQKNRLSA-N 1 1 317.389 1.821 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000079554573 353567625 /nfs/dbraw/zinc/56/76/25/353567625.db2.gz JIUGHIHINDJBTI-MIGQKNRLSA-N 1 1 317.389 1.821 20 5 DDBDMO CC(C)[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000085860271 353737761 /nfs/dbraw/zinc/73/77/61/353737761.db2.gz SRIKZIXRRRNPGZ-UHFFFAOYSA-N 1 1 323.349 1.596 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000092642227 353865113 /nfs/dbraw/zinc/86/51/13/353865113.db2.gz LFLQMISBZFBRNX-CYBMUJFWSA-N 1 1 320.393 1.903 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000153631638 354200156 /nfs/dbraw/zinc/20/01/56/354200156.db2.gz RWDOWLRFFWZHFZ-MGPQQGTHSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000305268298 354469929 /nfs/dbraw/zinc/46/99/29/354469929.db2.gz ZIFYFSVNYIZTMC-AWEZNQCLSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000305268298 354469932 /nfs/dbraw/zinc/46/99/32/354469932.db2.gz ZIFYFSVNYIZTMC-AWEZNQCLSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[N@@H+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000318517203 354516742 /nfs/dbraw/zinc/51/67/42/354516742.db2.gz YZOLNESOQJCECP-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CC[N@H+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000318517203 354516746 /nfs/dbraw/zinc/51/67/46/354516746.db2.gz YZOLNESOQJCECP-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000319560817 354522492 /nfs/dbraw/zinc/52/24/92/354522492.db2.gz PEGUEGSAJUBZRW-LLVKDONJSA-N 1 1 316.329 1.360 20 5 DDBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000588687366 354929608 /nfs/dbraw/zinc/92/96/08/354929608.db2.gz ROUBWJGPKKMEOJ-UHFFFAOYSA-N 1 1 321.381 1.726 20 5 DDBDMO Cc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588860602 354943729 /nfs/dbraw/zinc/94/37/29/354943729.db2.gz JYQOATUSLJYVOG-OLZOCXBDSA-N 1 1 319.361 1.184 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1O ZINC000589505438 354997673 /nfs/dbraw/zinc/99/76/73/354997673.db2.gz IHHOEQQDYYBZGI-IINYFYTJSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000589510627 354998247 /nfs/dbraw/zinc/99/82/47/354998247.db2.gz BIRNOFJFECCVKQ-AAEUAGOBSA-N 1 1 322.361 1.974 20 5 DDBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000589528901 355000195 /nfs/dbraw/zinc/00/01/95/355000195.db2.gz PIRJBWZSHDOVNU-LLVKDONJSA-N 1 1 317.349 1.568 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590011102 355040574 /nfs/dbraw/zinc/04/05/74/355040574.db2.gz HUKWCDIBACTPPT-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590011102 355040578 /nfs/dbraw/zinc/04/05/78/355040578.db2.gz HUKWCDIBACTPPT-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590011102 355040581 /nfs/dbraw/zinc/04/05/81/355040581.db2.gz HUKWCDIBACTPPT-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](O)CC1)OCCO2 ZINC000590381866 355079092 /nfs/dbraw/zinc/07/90/92/355079092.db2.gz OSQVCEHSIGIYMR-GFCCVEGCSA-N 1 1 308.334 1.713 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](O)CC1)OCCO2 ZINC000590381866 355079093 /nfs/dbraw/zinc/07/90/93/355079093.db2.gz OSQVCEHSIGIYMR-GFCCVEGCSA-N 1 1 308.334 1.713 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCOC1 ZINC000494957217 235107349 /nfs/dbraw/zinc/10/73/49/235107349.db2.gz NSWXHYMFZIQFRE-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO CCOc1cc(C[NH2+][C@@H](CO)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276972653 213210893 /nfs/dbraw/zinc/21/08/93/213210893.db2.gz XCIOIAAABVLIRZ-ZDUSSCGKSA-N 1 1 320.349 1.550 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590442265 355096854 /nfs/dbraw/zinc/09/68/54/355096854.db2.gz FCGFGKYRIZNOIE-JOYOIKCWSA-N 1 1 319.317 1.100 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000591464147 355317024 /nfs/dbraw/zinc/31/70/24/355317024.db2.gz AVSXBHWGDRRQFX-JTQLQIEISA-N 1 1 317.349 1.774 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281844 355277707 /nfs/dbraw/zinc/27/77/07/355277707.db2.gz OOSVPOFGYQWBHW-MDZLAQPJSA-N 1 1 324.356 1.602 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592198752 355534191 /nfs/dbraw/zinc/53/41/91/355534191.db2.gz RUQZTPIGHVQUAO-HUUCEWRRSA-N 1 1 308.382 1.807 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593573234 355930398 /nfs/dbraw/zinc/93/03/98/355930398.db2.gz VWKNNMAZCWBHRY-GHMZBOCLSA-N 1 1 309.341 1.827 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000593744193 355983615 /nfs/dbraw/zinc/98/36/15/355983615.db2.gz OYEHHHVRNWBVSO-SWLSCSKDSA-N 1 1 321.352 1.829 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108050 356114843 /nfs/dbraw/zinc/11/48/43/356114843.db2.gz PHOHVBGMMQJNRU-UTUOFQBUSA-N 1 1 324.381 1.161 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108050 356114847 /nfs/dbraw/zinc/11/48/47/356114847.db2.gz PHOHVBGMMQJNRU-UTUOFQBUSA-N 1 1 324.381 1.161 20 5 DDBDMO CC(C)Oc1nc(N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000594548773 356248113 /nfs/dbraw/zinc/24/81/13/356248113.db2.gz CRNJSSQLLXJVRS-LBPRGKRZSA-N 1 1 324.381 1.280 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000595524098 356532605 /nfs/dbraw/zinc/53/26/05/356532605.db2.gz XMKQZMOYYHEVIY-CQSZACIVSA-N 1 1 320.393 1.921 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595637588 356587367 /nfs/dbraw/zinc/58/73/67/356587367.db2.gz RPIBVILQPKMBSR-FRRDWIJNSA-N 1 1 319.361 1.626 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000595637588 356587370 /nfs/dbraw/zinc/58/73/70/356587370.db2.gz RPIBVILQPKMBSR-FRRDWIJNSA-N 1 1 319.361 1.626 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595864531 356683419 /nfs/dbraw/zinc/68/34/19/356683419.db2.gz BQCZIXPAKAMREY-MRXNPFEDSA-N 1 1 305.378 1.626 20 5 DDBDMO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000596246143 356831328 /nfs/dbraw/zinc/83/13/28/356831328.db2.gz CBBDSUIALNLTMU-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596299261 356849708 /nfs/dbraw/zinc/84/97/08/356849708.db2.gz QZMAKEQLQYTNOS-MXWKQRLJSA-N 1 1 310.354 1.605 20 5 DDBDMO C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596299261 356849712 /nfs/dbraw/zinc/84/97/12/356849712.db2.gz QZMAKEQLQYTNOS-MXWKQRLJSA-N 1 1 310.354 1.605 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596308682 356852465 /nfs/dbraw/zinc/85/24/65/356852465.db2.gz KNBSOLIQKJBBNJ-SECBINFHSA-N 1 1 307.354 1.373 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537535 356910305 /nfs/dbraw/zinc/91/03/05/356910305.db2.gz HIVYXBZFNYIVTN-CQSZACIVSA-N 1 1 305.378 1.939 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596539248 356911027 /nfs/dbraw/zinc/91/10/27/356911027.db2.gz NPVSFEOAZCDAIQ-CYBMUJFWSA-N 1 1 323.397 1.155 20 5 DDBDMO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000596517248 356903308 /nfs/dbraw/zinc/90/33/08/356903308.db2.gz FYLUBQKUVKETCW-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000597237409 357105854 /nfs/dbraw/zinc/10/58/54/357105854.db2.gz ZWZVAIHQTSAOTD-INIZCTEOSA-N 1 1 319.405 1.934 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597857360 357360202 /nfs/dbraw/zinc/36/02/02/357360202.db2.gz FIXJGGLNFKHZMK-JTQLQIEISA-N 1 1 323.397 1.873 20 5 DDBDMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[N@@H+](C)C1 ZINC000597943988 357393043 /nfs/dbraw/zinc/39/30/43/357393043.db2.gz BMJVVPBLGFJEHV-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000598342279 357545906 /nfs/dbraw/zinc/54/59/06/357545906.db2.gz LMTQFWSEDHHXSP-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342230 357546021 /nfs/dbraw/zinc/54/60/21/357546021.db2.gz KVKWQOOGZHPOQW-ZDUSSCGKSA-N 1 1 321.377 1.746 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598590881 357643872 /nfs/dbraw/zinc/64/38/72/357643872.db2.gz RSDGKCQKFHOFTH-GHMZBOCLSA-N 1 1 320.349 1.815 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000598590888 357644613 /nfs/dbraw/zinc/64/46/13/357644613.db2.gz RSDGKCQKFHOFTH-WDEREUQCSA-N 1 1 320.349 1.815 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000598626350 357659867 /nfs/dbraw/zinc/65/98/67/357659867.db2.gz AYLBBXZCFJNSEZ-MRVPVSSYSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000598626350 357659872 /nfs/dbraw/zinc/65/98/72/357659872.db2.gz AYLBBXZCFJNSEZ-MRVPVSSYSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000598626350 357659877 /nfs/dbraw/zinc/65/98/77/357659877.db2.gz AYLBBXZCFJNSEZ-MRVPVSSYSA-N 1 1 317.305 1.469 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647152 357669416 /nfs/dbraw/zinc/66/94/16/357669416.db2.gz CEBZUTZWMUNWBW-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647152 357669419 /nfs/dbraw/zinc/66/94/19/357669419.db2.gz CEBZUTZWMUNWBW-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1CO ZINC000598676817 357682901 /nfs/dbraw/zinc/68/29/01/357682901.db2.gz LMTMAKYFQWZUEG-YPMHNXCESA-N 1 1 322.361 1.816 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@@H+]1CC[C@@H](O)C1 ZINC000599007192 357790999 /nfs/dbraw/zinc/79/09/99/357790999.db2.gz BXZMAWXQLYMNFF-CQSZACIVSA-N 1 1 309.366 1.150 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@H+]1CC[C@@H](O)C1 ZINC000599007192 357791004 /nfs/dbraw/zinc/79/10/04/357791004.db2.gz BXZMAWXQLYMNFF-CQSZACIVSA-N 1 1 309.366 1.150 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccccc1[N+](=O)[O-] ZINC000598991028 357785397 /nfs/dbraw/zinc/78/53/97/357785397.db2.gz SPBBCNRTJAZUPZ-AWEZNQCLSA-N 1 1 306.366 1.024 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNCc1ccccc1[N+](=O)[O-] ZINC000598991028 357785399 /nfs/dbraw/zinc/78/53/99/357785399.db2.gz SPBBCNRTJAZUPZ-AWEZNQCLSA-N 1 1 306.366 1.024 20 5 DDBDMO Cc1c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000599624664 357997382 /nfs/dbraw/zinc/99/73/82/357997382.db2.gz ULQVRUOGFGNTLH-IYBDPMFKSA-N 1 1 308.378 1.716 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599561855 357973786 /nfs/dbraw/zinc/97/37/86/357973786.db2.gz CUBPXRDFHKVQSW-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599561855 357973788 /nfs/dbraw/zinc/97/37/88/357973788.db2.gz CUBPXRDFHKVQSW-HNNXBMFYSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599561706 357974161 /nfs/dbraw/zinc/97/41/61/357974161.db2.gz CEXOHBDOXKIJEC-OAHLLOKOSA-N 1 1 324.333 1.238 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000600229968 358163763 /nfs/dbraw/zinc/16/37/63/358163763.db2.gz MFWIODXSOJTAKM-GFCCVEGCSA-N 1 1 321.381 1.465 20 5 DDBDMO CC(C)[C@H]1CNCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715091 358292913 /nfs/dbraw/zinc/29/29/13/358292913.db2.gz RILSLGAYESUCLY-OAHLLOKOSA-N 1 1 320.393 1.853 20 5 DDBDMO CC(C)[C@H]1CNCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600715091 358292916 /nfs/dbraw/zinc/29/29/16/358292916.db2.gz RILSLGAYESUCLY-OAHLLOKOSA-N 1 1 320.393 1.853 20 5 DDBDMO C[N@@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000600825038 358326946 /nfs/dbraw/zinc/32/69/46/358326946.db2.gz GGBYEFFSRWIOOU-UHFFFAOYSA-N 1 1 321.381 1.439 20 5 DDBDMO CC(C)N1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601110524 358405619 /nfs/dbraw/zinc/40/56/19/358405619.db2.gz DIDMRINHMCZAGE-LLVKDONJSA-N 1 1 314.345 1.986 20 5 DDBDMO COc1cc(F)cc(OC)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000601111385 358406151 /nfs/dbraw/zinc/40/61/51/358406151.db2.gz PLGTWCCUNIKHFY-UHFFFAOYSA-N 1 1 324.312 1.737 20 5 DDBDMO C[C@](CO)([NH2+]Cc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601149519 358422337 /nfs/dbraw/zinc/42/23/37/358422337.db2.gz NMIVWTITCLUKTM-MRXNPFEDSA-N 1 1 316.361 1.735 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](CO)C1 ZINC000601979256 358763988 /nfs/dbraw/zinc/76/39/88/358763988.db2.gz BTZODQJXCPWCPW-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](CO)C1 ZINC000601979256 358763994 /nfs/dbraw/zinc/76/39/94/358763994.db2.gz BTZODQJXCPWCPW-JTQLQIEISA-N 1 1 319.283 1.726 20 5 DDBDMO Cn1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602783335 359188731 /nfs/dbraw/zinc/18/87/31/359188731.db2.gz LIRXCQJRRXFUQV-AWEZNQCLSA-N 1 1 323.397 1.015 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])n1 ZINC000602783335 359188734 /nfs/dbraw/zinc/18/87/34/359188734.db2.gz LIRXCQJRRXFUQV-AWEZNQCLSA-N 1 1 323.397 1.015 20 5 DDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602829543 359221050 /nfs/dbraw/zinc/22/10/50/359221050.db2.gz LKQKWCGMQAZJOW-JQPXUNLUSA-N 1 1 306.366 1.455 20 5 DDBDMO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cn1 ZINC000602919856 359294643 /nfs/dbraw/zinc/29/46/43/359294643.db2.gz XOVOYCAYBWCFOS-CQSZACIVSA-N 1 1 317.349 1.973 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000618467678 363642384 /nfs/dbraw/zinc/64/23/84/363642384.db2.gz PFKXCJSWCJEBBJ-YPMHNXCESA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000618467678 363642388 /nfs/dbraw/zinc/64/23/88/363642388.db2.gz PFKXCJSWCJEBBJ-YPMHNXCESA-N 1 1 307.350 1.352 20 5 DDBDMO C[N@@H+](Cc1ccns1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602885558 359269304 /nfs/dbraw/zinc/26/93/04/359269304.db2.gz YBYSVTKHFDTYLI-NSHDSACASA-N 1 1 323.374 1.923 20 5 DDBDMO C[N@H+](Cc1ccns1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602885558 359269306 /nfs/dbraw/zinc/26/93/06/359269306.db2.gz YBYSVTKHFDTYLI-NSHDSACASA-N 1 1 323.374 1.923 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1(CO)CC1 ZINC000186812388 200014977 /nfs/dbraw/zinc/01/49/77/200014977.db2.gz IIMCDOIMXJUBDL-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(CO)CC1 ZINC000186812388 200014979 /nfs/dbraw/zinc/01/49/79/200014979.db2.gz IIMCDOIMXJUBDL-NSHDSACASA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000186840403 200020165 /nfs/dbraw/zinc/02/01/65/200020165.db2.gz GCCXAOHJLOSNEO-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180228 360652006 /nfs/dbraw/zinc/65/20/06/360652006.db2.gz VGILWVDWTVSJCA-JQWIXIFHSA-N 1 1 316.304 1.922 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[C@@H]1O ZINC000611285736 360689544 /nfs/dbraw/zinc/68/95/44/360689544.db2.gz KBFKHTJTMBTQGS-FZMZJTMJSA-N 1 1 322.361 1.959 20 5 DDBDMO CCOC(=O)C[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611237166 360672311 /nfs/dbraw/zinc/67/23/11/360672311.db2.gz CLFXXMMMSKZBMO-CQSZACIVSA-N 1 1 322.361 1.873 20 5 DDBDMO CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611237166 360672317 /nfs/dbraw/zinc/67/23/17/360672317.db2.gz CLFXXMMMSKZBMO-CQSZACIVSA-N 1 1 322.361 1.873 20 5 DDBDMO CNc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613234989 361342201 /nfs/dbraw/zinc/34/22/01/361342201.db2.gz LBZPWBGKJCSWPO-GWCFXTLKSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000613234989 361342207 /nfs/dbraw/zinc/34/22/07/361342207.db2.gz LBZPWBGKJCSWPO-GWCFXTLKSA-N 1 1 322.365 1.085 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CNc2ccnn2C1 ZINC000619265363 363953356 /nfs/dbraw/zinc/95/33/56/363953356.db2.gz QBTOUDLFZQLZEA-GFCCVEGCSA-N 1 1 301.350 1.965 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000619566997 364063673 /nfs/dbraw/zinc/06/36/73/364063673.db2.gz GUILFSCCCUILBY-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)s1 ZINC000619694484 364117734 /nfs/dbraw/zinc/11/77/34/364117734.db2.gz QIICHKIHGZRFAQ-LLVKDONJSA-N 1 1 312.395 1.742 20 5 DDBDMO Cc1sc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873567 364170364 /nfs/dbraw/zinc/17/03/64/364170364.db2.gz NSZWGEBRGQAXOW-LLVKDONJSA-N 1 1 324.406 1.084 20 5 DDBDMO C[C@@H](c1ccccn1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091704437 193094965 /nfs/dbraw/zinc/09/49/65/193094965.db2.gz QTHUBOOFELLQSQ-LBPRGKRZSA-N 1 1 302.334 1.845 20 5 DDBDMO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000359308056 299407070 /nfs/dbraw/zinc/40/70/70/299407070.db2.gz NWVDDZFROPBYRU-MRVPVSSYSA-N 1 1 305.331 1.010 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000566439084 304156593 /nfs/dbraw/zinc/15/65/93/304156593.db2.gz CBCOQNOSUUOYBP-UHFFFAOYSA-N 1 1 321.377 1.952 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795941 218180963 /nfs/dbraw/zinc/18/09/63/218180963.db2.gz OGZBJKJROSBOJF-UKRRQHHQSA-N 1 1 319.361 1.837 20 5 DDBDMO CCOc1cccc(NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000273864023 211124324 /nfs/dbraw/zinc/12/43/24/211124324.db2.gz MXSPDKIUZDTJIL-GFCCVEGCSA-N 1 1 308.382 1.651 20 5 DDBDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000106445327 194214060 /nfs/dbraw/zinc/21/40/60/194214060.db2.gz GWLIHQZNSKYFRZ-GFCCVEGCSA-N 1 1 308.338 1.023 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000106395457 194206215 /nfs/dbraw/zinc/20/62/15/194206215.db2.gz ZGRTVWQGVNSQFK-HNNXBMFYSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938470 251290447 /nfs/dbraw/zinc/29/04/47/251290447.db2.gz WHOZVUHOZSRWBW-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938470 251290450 /nfs/dbraw/zinc/29/04/50/251290450.db2.gz WHOZVUHOZSRWBW-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000341024822 251344327 /nfs/dbraw/zinc/34/43/27/251344327.db2.gz HZPCLTBPOYNTOT-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000341058939 251360888 /nfs/dbraw/zinc/36/08/88/251360888.db2.gz LQGPPCVYYBMZBX-BETUJISGSA-N 1 1 323.397 1.561 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000444177171 532981907 /nfs/dbraw/zinc/98/19/07/532981907.db2.gz SUPXTHZWJJHNNE-LLVKDONJSA-N 1 1 323.349 1.054 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119856485 195050276 /nfs/dbraw/zinc/05/02/76/195050276.db2.gz LZDSXWDIFKBHCT-CHWSQXEVSA-N 1 1 312.391 1.772 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000158224408 197255429 /nfs/dbraw/zinc/25/54/29/197255429.db2.gz NEVZBIZSDICJLY-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000264838690 285160298 /nfs/dbraw/zinc/16/02/98/285160298.db2.gz JOZIEXPCKVELQL-UHFFFAOYSA-N 1 1 322.283 1.968 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000264838690 285160299 /nfs/dbraw/zinc/16/02/99/285160299.db2.gz JOZIEXPCKVELQL-UHFFFAOYSA-N 1 1 322.283 1.968 20 5 DDBDMO C[C@@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417140701 533126738 /nfs/dbraw/zinc/12/67/38/533126738.db2.gz QJVVFHKGURGKJK-IAQYHMDHSA-N 1 1 324.356 1.999 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1O ZINC000352657092 285201403 /nfs/dbraw/zinc/20/14/03/285201403.db2.gz FAMUJIGAQJNBMP-OBJOEFQTSA-N 1 1 310.350 1.180 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000352802449 285311394 /nfs/dbraw/zinc/31/13/94/285311394.db2.gz DVDCZMFZFCWYNN-XHDPSFHLSA-N 1 1 321.352 1.829 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451857259 533221358 /nfs/dbraw/zinc/22/13/58/533221358.db2.gz GSQYVHHZMZLFKP-OCCSQVGLSA-N 1 1 319.361 1.799 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000352869378 285348135 /nfs/dbraw/zinc/34/81/35/285348135.db2.gz WJXRSTUEQCBWKN-MNOVXSKESA-N 1 1 323.397 1.629 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(F)(F)C[NH3+])c1C ZINC000186987871 292292021 /nfs/dbraw/zinc/29/20/21/292292021.db2.gz SYXHLYCXPONBGU-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000068203271 406622726 /nfs/dbraw/zinc/62/27/26/406622726.db2.gz JITQFLYFCGNLKI-NSHDSACASA-N 1 1 309.370 1.090 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000123324177 407325675 /nfs/dbraw/zinc/32/56/75/407325675.db2.gz QWGILHCXAKEIEZ-OLZOCXBDSA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCO1 ZINC000102770667 407326761 /nfs/dbraw/zinc/32/67/61/407326761.db2.gz LMVWOVDOTBGQNP-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCO1 ZINC000102770667 407326762 /nfs/dbraw/zinc/32/67/62/407326762.db2.gz LMVWOVDOTBGQNP-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123693577 407336726 /nfs/dbraw/zinc/33/67/26/407336726.db2.gz CZCUEHLJPYJDFA-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO C[C@]1(O)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000124632619 407365230 /nfs/dbraw/zinc/36/52/30/407365230.db2.gz SKFHYYDRQXYOON-ZBFHGGJFSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@]1(O)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000124632619 407365232 /nfs/dbraw/zinc/36/52/32/407365232.db2.gz SKFHYYDRQXYOON-ZBFHGGJFSA-N 1 1 319.361 1.547 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000106919703 407367172 /nfs/dbraw/zinc/36/71/72/407367172.db2.gz NZRYZTRRNRLLFA-JTQLQIEISA-N 1 1 320.349 1.442 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000108566547 407388367 /nfs/dbraw/zinc/38/83/67/407388367.db2.gz WZPLDULUABCJAH-ZDUSSCGKSA-N 1 1 306.366 1.736 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000126076328 407404320 /nfs/dbraw/zinc/40/43/20/407404320.db2.gz APOAICAWROZQPP-LBPRGKRZSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCn1cccn1 ZINC000111283443 407406001 /nfs/dbraw/zinc/40/60/01/407406001.db2.gz NRFSZCOKPYTLLE-LBPRGKRZSA-N 1 1 317.349 1.750 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCn1cccn1 ZINC000111283443 407406003 /nfs/dbraw/zinc/40/60/03/407406003.db2.gz NRFSZCOKPYTLLE-LBPRGKRZSA-N 1 1 317.349 1.750 20 5 DDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CCC1 ZINC000111298430 407406606 /nfs/dbraw/zinc/40/66/06/407406606.db2.gz MRULXESARJJRCC-UHFFFAOYSA-N 1 1 321.333 1.994 20 5 DDBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000185758387 407495082 /nfs/dbraw/zinc/49/50/82/407495082.db2.gz BZQBKAUBQQRVSM-SNVBAGLBSA-N 1 1 313.379 1.356 20 5 DDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc([S@](C)=O)cc1 ZINC000178420513 407450824 /nfs/dbraw/zinc/45/08/24/407450824.db2.gz ONSTYBKVSHSKLK-QFIPXVFZSA-N 1 1 322.390 1.661 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc([S@](C)=O)cc1 ZINC000178420513 407450830 /nfs/dbraw/zinc/45/08/30/407450830.db2.gz ONSTYBKVSHSKLK-QFIPXVFZSA-N 1 1 322.390 1.661 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc([S@@](C)=O)cc1 ZINC000178420655 407451715 /nfs/dbraw/zinc/45/17/15/407451715.db2.gz ZUKPCIWKCMUJBS-JOCHJYFZSA-N 1 1 322.390 1.661 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc([S@@](C)=O)cc1 ZINC000178420655 407451719 /nfs/dbraw/zinc/45/17/19/407451719.db2.gz ZUKPCIWKCMUJBS-JOCHJYFZSA-N 1 1 322.390 1.661 20 5 DDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000185848059 407521229 /nfs/dbraw/zinc/52/12/29/407521229.db2.gz GQCSALYLVKYGRH-ZDUSSCGKSA-N 1 1 323.374 1.230 20 5 DDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261783987 407614715 /nfs/dbraw/zinc/61/47/15/407614715.db2.gz XCTOCCKWCFBMTC-BDAKNGLRSA-N 1 1 317.342 1.153 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000152254712 407594532 /nfs/dbraw/zinc/59/45/32/407594532.db2.gz ZWZFIIGCSBJJBU-UHFFFAOYSA-N 1 1 321.377 1.795 20 5 DDBDMO NC(=O)NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276868 407792412 /nfs/dbraw/zinc/79/24/12/407792412.db2.gz QBZOEIAQIWFSBQ-UHFFFAOYSA-N 1 1 306.322 1.144 20 5 DDBDMO COc1cc(CNC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000237277851 407808916 /nfs/dbraw/zinc/80/89/16/407808916.db2.gz CUPRTEHPFSMQJY-GFCCVEGCSA-N 1 1 309.366 1.796 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000153648145 407870121 /nfs/dbraw/zinc/87/01/21/407870121.db2.gz XOTSCVSROKCCNE-OAHLLOKOSA-N 1 1 305.334 1.646 20 5 DDBDMO O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000153648145 407870127 /nfs/dbraw/zinc/87/01/27/407870127.db2.gz XOTSCVSROKCCNE-OAHLLOKOSA-N 1 1 305.334 1.646 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000118123670 407899639 /nfs/dbraw/zinc/89/96/39/407899639.db2.gz LIKNQBDRJXYMEC-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO COC(=O)C1(O)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272427237 407915469 /nfs/dbraw/zinc/91/54/69/407915469.db2.gz HFQIADABIDBYKZ-GFCCVEGCSA-N 1 1 322.361 1.964 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000182171069 408085342 /nfs/dbraw/zinc/08/53/42/408085342.db2.gz TYTJKUCFSCMHCS-QWHCGFSZSA-N 1 1 310.350 1.039 20 5 DDBDMO Cc1c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189713267 408086556 /nfs/dbraw/zinc/08/65/56/408086556.db2.gz OBTGSCHUJMOFPV-NSHDSACASA-N 1 1 307.350 1.042 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000189721503 408089788 /nfs/dbraw/zinc/08/97/88/408089788.db2.gz IKEGWUIPIRWDDO-CABCVRRESA-N 1 1 310.350 1.366 20 5 DDBDMO COCCO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000189732386 408092653 /nfs/dbraw/zinc/09/26/53/408092653.db2.gz NVKKFGSPSKVGRQ-GFCCVEGCSA-N 1 1 321.333 1.973 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000189732386 408092661 /nfs/dbraw/zinc/09/26/61/408092661.db2.gz NVKKFGSPSKVGRQ-GFCCVEGCSA-N 1 1 321.333 1.973 20 5 DDBDMO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000150730739 408195299 /nfs/dbraw/zinc/19/52/99/408195299.db2.gz ZNRRSTOBAHHDFX-GFCCVEGCSA-N 1 1 321.377 1.601 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000263666827 408198154 /nfs/dbraw/zinc/19/81/54/408198154.db2.gz LCJKLHUCUXTDBR-GHMZBOCLSA-N 1 1 323.397 1.731 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000269428248 408305905 /nfs/dbraw/zinc/30/59/05/408305905.db2.gz QKWQTGVMNADCKH-ZDUSSCGKSA-N 1 1 321.377 1.562 20 5 DDBDMO Cc1csc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176208247 408310009 /nfs/dbraw/zinc/31/00/09/408310009.db2.gz ZKESKMGSOWRJIX-UHFFFAOYSA-N 1 1 322.394 1.378 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOCC23CCC3)c1 ZINC000135498986 162105226 /nfs/dbraw/zinc/10/52/26/162105226.db2.gz PNEOLDSKLKZQJO-AWEZNQCLSA-N 1 1 322.361 1.589 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOCC23CCC3)c1 ZINC000135498986 162105230 /nfs/dbraw/zinc/10/52/30/162105230.db2.gz PNEOLDSKLKZQJO-AWEZNQCLSA-N 1 1 322.361 1.589 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549196 408351481 /nfs/dbraw/zinc/35/14/81/408351481.db2.gz XJARPNMCFVNIPB-WDEREUQCSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549196 408351485 /nfs/dbraw/zinc/35/14/85/408351485.db2.gz XJARPNMCFVNIPB-WDEREUQCSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269549196 408351490 /nfs/dbraw/zinc/35/14/90/408351490.db2.gz XJARPNMCFVNIPB-WDEREUQCSA-N 1 1 323.397 1.854 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247040213 408392089 /nfs/dbraw/zinc/39/20/89/408392089.db2.gz XWXODMWXNBECOU-STQMWFEESA-N 1 1 321.377 1.512 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000247040213 408392096 /nfs/dbraw/zinc/39/20/96/408392096.db2.gz XWXODMWXNBECOU-STQMWFEESA-N 1 1 321.377 1.512 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000274433779 408403715 /nfs/dbraw/zinc/40/37/15/408403715.db2.gz GHVURZFCBMBNIY-LLVKDONJSA-N 1 1 324.356 1.919 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000264283251 408424874 /nfs/dbraw/zinc/42/48/74/408424874.db2.gz ODQWXRKRYZSGNU-UHFFFAOYSA-N 1 1 309.370 1.571 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177052907 408508298 /nfs/dbraw/zinc/50/82/98/408508298.db2.gz MAQJNIZZMIJFJP-DGCLKSJQSA-N 1 1 303.362 1.879 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177205431 408552992 /nfs/dbraw/zinc/55/29/92/408552992.db2.gz YFHHWYWDYAIPOT-GHMZBOCLSA-N 1 1 319.361 1.958 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000265198930 408578773 /nfs/dbraw/zinc/57/87/73/408578773.db2.gz JEBNNRWFDGWNSB-UHFFFAOYSA-N 1 1 313.423 1.935 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000185144622 408768789 /nfs/dbraw/zinc/76/87/89/408768789.db2.gz VJKLRYLQCFULDH-JTQLQIEISA-N 1 1 311.313 1.783 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000185144622 408768796 /nfs/dbraw/zinc/76/87/96/408768796.db2.gz VJKLRYLQCFULDH-JTQLQIEISA-N 1 1 311.313 1.783 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH+]c1 ZINC000285950785 408894863 /nfs/dbraw/zinc/89/48/63/408894863.db2.gz DXLHCENZHBWZSI-UHFFFAOYSA-N 1 1 304.310 1.253 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000291600426 408892304 /nfs/dbraw/zinc/89/23/04/408892304.db2.gz RUBQYWQEKKJCKN-SNVBAGLBSA-N 1 1 311.386 1.487 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000189460033 163101955 /nfs/dbraw/zinc/10/19/55/163101955.db2.gz ZXSDTJMDVLHYGU-LLVKDONJSA-N 1 1 313.423 1.933 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000291760809 408918968 /nfs/dbraw/zinc/91/89/68/408918968.db2.gz DBJYPZZBHZZQDY-SNVBAGLBSA-N 1 1 324.337 1.962 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286319415 408963526 /nfs/dbraw/zinc/96/35/26/408963526.db2.gz KVCZYQYXKRHEBW-LLVKDONJSA-N 1 1 306.366 1.485 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000292149898 408990591 /nfs/dbraw/zinc/99/05/91/408990591.db2.gz VEYBTMWOQQVHLM-SECBINFHSA-N 1 1 312.345 1.775 20 5 DDBDMO CC[N@H+](CCOCCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000282129558 408996837 /nfs/dbraw/zinc/99/68/37/408996837.db2.gz REJQFUIJNXJTBQ-UHFFFAOYSA-N 1 1 316.329 1.573 20 5 DDBDMO CC[N@@H+](CCOCCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000282129558 408996840 /nfs/dbraw/zinc/99/68/40/408996840.db2.gz REJQFUIJNXJTBQ-UHFFFAOYSA-N 1 1 316.329 1.573 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293373628 409099718 /nfs/dbraw/zinc/09/97/18/409099718.db2.gz JIIXDRMVULFSSF-XQQFMLRXSA-N 1 1 320.393 1.946 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 ZINC000293791947 409181824 /nfs/dbraw/zinc/18/18/24/409181824.db2.gz CQKCUUSBRLHYSW-WDEREUQCSA-N 1 1 309.322 1.123 20 5 DDBDMO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283891232 409234875 /nfs/dbraw/zinc/23/48/75/409234875.db2.gz COVNKIMKJCWNJM-LBPRGKRZSA-N 1 1 322.409 1.674 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000280365856 409300383 /nfs/dbraw/zinc/30/03/83/409300383.db2.gz YKUNJKUMHLZLGQ-UHFFFAOYSA-N 1 1 303.362 1.906 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000284269185 409307805 /nfs/dbraw/zinc/30/78/05/409307805.db2.gz GUUBLVWFPPMXQL-KGLIPLIRSA-N 1 1 307.394 1.790 20 5 DDBDMO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280507070 409334043 /nfs/dbraw/zinc/33/40/43/409334043.db2.gz NINIUUHUPPEYNQ-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280507070 409334048 /nfs/dbraw/zinc/33/40/48/409334048.db2.gz NINIUUHUPPEYNQ-BBRMVZONSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]([N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295142834 409342970 /nfs/dbraw/zinc/34/29/70/409342970.db2.gz LDWJYJVEMNUJLV-NSHDSACASA-N 1 1 321.377 1.575 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](C2CC2)C1 ZINC000295255411 409399541 /nfs/dbraw/zinc/39/95/41/409399541.db2.gz FNNBPGDCEZCLCJ-NSHDSACASA-N 1 1 318.377 1.733 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000295175248 409356639 /nfs/dbraw/zinc/35/66/39/409356639.db2.gz GTZUTAXWDQSJNY-OAHLLOKOSA-N 1 1 324.356 1.434 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317055390 164025504 /nfs/dbraw/zinc/02/55/04/164025504.db2.gz HPAACSPRULOOBT-LLVKDONJSA-N 1 1 306.366 1.851 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408056060 164211301 /nfs/dbraw/zinc/21/13/01/164211301.db2.gz CIYUCHIIYSYRMJ-KGLIPLIRSA-N 1 1 323.324 1.279 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000356835183 409647066 /nfs/dbraw/zinc/64/70/66/409647066.db2.gz CILRDVXOIWPNKM-GHMZBOCLSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000356835183 409647073 /nfs/dbraw/zinc/64/70/73/409647073.db2.gz CILRDVXOIWPNKM-GHMZBOCLSA-N 1 1 309.370 1.077 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356979643 409763884 /nfs/dbraw/zinc/76/38/84/409763884.db2.gz DMPQLUPTUSTFHT-QWHCGFSZSA-N 1 1 320.393 1.866 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356979641 409764904 /nfs/dbraw/zinc/76/49/04/409764904.db2.gz DMPQLUPTUSTFHT-CHWSQXEVSA-N 1 1 320.393 1.866 20 5 DDBDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338332325 409916636 /nfs/dbraw/zinc/91/66/36/409916636.db2.gz KEZCUWPAAFYHPL-CQSZACIVSA-N 1 1 319.361 1.607 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000354580873 409948426 /nfs/dbraw/zinc/94/84/26/409948426.db2.gz DCVPVFAROQESSF-NEPJUHHUSA-N 1 1 319.361 1.960 20 5 DDBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1CCOC ZINC000346560370 410018411 /nfs/dbraw/zinc/01/84/11/410018411.db2.gz BBGQMSJMAUJAKR-LBPRGKRZSA-N 1 1 324.381 1.496 20 5 DDBDMO C[C@@H]1COCCN1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332593735 410185974 /nfs/dbraw/zinc/18/59/74/410185974.db2.gz KDVLQYKCKWKIBC-GFCCVEGCSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@@H]1COCCN1CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332593735 410185980 /nfs/dbraw/zinc/18/59/80/410185980.db2.gz KDVLQYKCKWKIBC-GFCCVEGCSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000298626048 410318577 /nfs/dbraw/zinc/31/85/77/410318577.db2.gz DGODCZSNIXGGQS-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CO)C1 ZINC000298626048 410318583 /nfs/dbraw/zinc/31/85/83/410318583.db2.gz DGODCZSNIXGGQS-NWDGAFQWSA-N 1 1 307.350 1.626 20 5 DDBDMO Cn1c(C(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000347406526 410527858 /nfs/dbraw/zinc/52/78/58/410527858.db2.gz JIVHYPKQILZKDV-UHFFFAOYSA-N 1 1 316.361 1.795 20 5 DDBDMO COC1CC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000352209575 410548275 /nfs/dbraw/zinc/54/82/75/410548275.db2.gz CARKFRSAMJYRSB-OTTFEQOBSA-N 1 1 310.350 1.444 20 5 DDBDMO CCCCNC(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355661441 410629370 /nfs/dbraw/zinc/62/93/70/410629370.db2.gz PGDGEYPLUCKJCB-UHFFFAOYSA-N 1 1 323.397 1.457 20 5 DDBDMO C[C@@H]1[C@H](C)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000343719440 410647193 /nfs/dbraw/zinc/64/71/93/410647193.db2.gz CZLLPQJUQRXBKB-RDBSUJKOSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719440 410647197 /nfs/dbraw/zinc/64/71/97/410647197.db2.gz CZLLPQJUQRXBKB-RDBSUJKOSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719440 410647202 /nfs/dbraw/zinc/64/72/02/410647202.db2.gz CZLLPQJUQRXBKB-RDBSUJKOSA-N 1 1 323.393 1.359 20 5 DDBDMO COc1cc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000337375109 410744913 /nfs/dbraw/zinc/74/49/13/410744913.db2.gz ZVPPBUKJRAWFPF-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000347936530 410801264 /nfs/dbraw/zinc/80/12/64/410801264.db2.gz CUWZULOLKDWPIQ-GFCCVEGCSA-N 1 1 309.370 1.089 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)n1 ZINC000340205519 410750206 /nfs/dbraw/zinc/75/02/06/410750206.db2.gz YLPRUAYYCKUGKA-KOLCDFICSA-N 1 1 322.287 1.569 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCCC[C@@H]1C ZINC000356149519 410864008 /nfs/dbraw/zinc/86/40/08/410864008.db2.gz HCCQAEIFKJKYQX-QWRGUYRKSA-N 1 1 309.370 1.321 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356284387 410943724 /nfs/dbraw/zinc/94/37/24/410943724.db2.gz PBYBKJYFDVZRCO-NWDGAFQWSA-N 1 1 308.382 1.736 20 5 DDBDMO C[C@H](O)CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353520550 411045631 /nfs/dbraw/zinc/04/56/31/411045631.db2.gz PMLJMNZEVFRHLV-SMDDNHRTSA-N 1 1 304.350 1.778 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000580210928 422903667 /nfs/dbraw/zinc/90/36/67/422903667.db2.gz IMNOFRLFMOZLPF-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000580210928 422903668 /nfs/dbraw/zinc/90/36/68/422903668.db2.gz IMNOFRLFMOZLPF-UHFFFAOYSA-N 1 1 321.333 1.490 20 5 DDBDMO CC(C)C[C@H]([NH3+])c1noc(Cn2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC000580311096 422914962 /nfs/dbraw/zinc/91/49/62/422914962.db2.gz WGHXKINEJMPINA-VIFPVBQESA-N 1 1 307.310 1.234 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000580773525 422952824 /nfs/dbraw/zinc/95/28/24/422952824.db2.gz OILYNJQBZSLPET-UHFFFAOYSA-N 1 1 307.354 1.239 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373929380 418474083 /nfs/dbraw/zinc/47/40/83/418474083.db2.gz OJIZHBWNPJVSBB-JSGCOSHPSA-N 1 1 319.361 1.717 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000361027803 418568902 /nfs/dbraw/zinc/56/89/02/418568902.db2.gz ZUFJEMGAWFFTDD-WCBMZHEXSA-N 1 1 303.322 1.892 20 5 DDBDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044806 418572707 /nfs/dbraw/zinc/57/27/07/418572707.db2.gz JPOHSSPNVXSZEB-RISCZKNCSA-N 1 1 302.334 1.729 20 5 DDBDMO CNc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954385 418553195 /nfs/dbraw/zinc/55/31/95/418553195.db2.gz MMZGEIXVVCUSKK-MNOVXSKESA-N 1 1 318.377 1.992 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997251 418562299 /nfs/dbraw/zinc/56/22/99/418562299.db2.gz FUHRKIWPZCWMME-CABCVRRESA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000189309483 222042327 /nfs/dbraw/zinc/04/23/27/222042327.db2.gz PAIVTQZEVCATCD-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000189309483 222042330 /nfs/dbraw/zinc/04/23/30/222042330.db2.gz PAIVTQZEVCATCD-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000291035609 222089061 /nfs/dbraw/zinc/08/90/61/222089061.db2.gz ZHDAHUICKLLSCK-SECBINFHSA-N 1 1 305.338 1.151 20 5 DDBDMO C[C@@H]1CCOCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992226 418585219 /nfs/dbraw/zinc/58/52/19/418585219.db2.gz WLEHDDKDNVWDMB-TZMCWYRMSA-N 1 1 310.350 1.445 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000367559642 418610431 /nfs/dbraw/zinc/61/04/31/418610431.db2.gz OCFRMXDERPVTSW-CYBMUJFWSA-N 1 1 303.322 1.317 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000367559642 418610435 /nfs/dbraw/zinc/61/04/35/418610435.db2.gz OCFRMXDERPVTSW-CYBMUJFWSA-N 1 1 303.322 1.317 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000367840266 418644842 /nfs/dbraw/zinc/64/48/42/418644842.db2.gz PVIMJAQEIRQQGS-ITGUQSILSA-N 1 1 319.361 1.402 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000358056815 418653237 /nfs/dbraw/zinc/65/32/37/418653237.db2.gz BQPBHOINOVFAMS-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO COc1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361585427 418685507 /nfs/dbraw/zinc/68/55/07/418685507.db2.gz IIPOHVDRKVSNAG-AAEUAGOBSA-N 1 1 310.350 1.575 20 5 DDBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365651416 418888741 /nfs/dbraw/zinc/88/87/41/418888741.db2.gz VYDNMSQSNIDZPW-GFCCVEGCSA-N 1 1 304.354 1.404 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365668953 418892579 /nfs/dbraw/zinc/89/25/79/418892579.db2.gz FRJSIHHGNJGEEN-CHWSQXEVSA-N 1 1 319.361 1.496 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nn21 ZINC000372703426 418893745 /nfs/dbraw/zinc/89/37/45/418893745.db2.gz IDOIEHMCTDHWSJ-QWRGUYRKSA-N 1 1 302.338 1.676 20 5 DDBDMO Cc1ccnc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000372957581 418916581 /nfs/dbraw/zinc/91/65/81/418916581.db2.gz ZUEOVVYAFGBGQL-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1ccnc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000372957581 418916583 /nfs/dbraw/zinc/91/65/83/418916583.db2.gz ZUEOVVYAFGBGQL-ZDUSSCGKSA-N 1 1 319.409 1.879 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948117 419377862 /nfs/dbraw/zinc/37/78/62/419377862.db2.gz VJWNIIKPZQWSPE-IPYPFGDCSA-N 1 1 324.377 1.285 20 5 DDBDMO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCC[N@H+]1C ZINC000420991712 419430173 /nfs/dbraw/zinc/43/01/73/419430173.db2.gz ALMKDELMWJXZSQ-GFCCVEGCSA-N 1 1 303.366 1.997 20 5 DDBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000418228603 419631833 /nfs/dbraw/zinc/63/18/33/419631833.db2.gz FAZSUIHYJXBKST-XHDPSFHLSA-N 1 1 324.356 1.999 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000412050900 419593790 /nfs/dbraw/zinc/59/37/90/419593790.db2.gz ZZRYPORAAGHOSH-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000412050900 419593795 /nfs/dbraw/zinc/59/37/95/419593795.db2.gz ZZRYPORAAGHOSH-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1cc(OCC(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000421711529 419698502 /nfs/dbraw/zinc/69/85/02/419698502.db2.gz OOGHTXGXFTZLEY-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]([NH3+])C1CC1 ZINC000414885052 419858862 /nfs/dbraw/zinc/85/88/62/419858862.db2.gz FZHOVYGFGKOITK-YGRLFVJLSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](N)C1CC1 ZINC000414885052 419858867 /nfs/dbraw/zinc/85/88/67/419858867.db2.gz FZHOVYGFGKOITK-YGRLFVJLSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794230 420049392 /nfs/dbraw/zinc/04/93/92/420049392.db2.gz WTQKGLWUFBGJIV-BXUZGUMPSA-N 1 1 321.377 1.677 20 5 DDBDMO C[NH2+]C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430641445 420167645 /nfs/dbraw/zinc/16/76/45/420167645.db2.gz TVZAUVRXCKMVEW-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416301901 420318392 /nfs/dbraw/zinc/31/83/92/420318392.db2.gz VWAAVNSGLKYPQA-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416301901 420318397 /nfs/dbraw/zinc/31/83/97/420318397.db2.gz VWAAVNSGLKYPQA-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000416498111 420395311 /nfs/dbraw/zinc/39/53/11/420395311.db2.gz WLEZEPWPBOQXRX-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457025253 420591733 /nfs/dbraw/zinc/59/17/33/420591733.db2.gz OKNJMQKQTVJGIY-LLVKDONJSA-N 1 1 301.306 1.105 20 5 DDBDMO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457053948 420598981 /nfs/dbraw/zinc/59/89/81/420598981.db2.gz PPRXAOZXEWRCLV-UHFFFAOYSA-N 1 1 307.350 1.905 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@@H]21 ZINC000453026065 420704500 /nfs/dbraw/zinc/70/45/00/420704500.db2.gz FJMMGNAWSFQIOB-PELKAZGASA-N 1 1 308.313 1.092 20 5 DDBDMO COc1ccc(OCCN2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442762637 420709941 /nfs/dbraw/zinc/70/99/41/420709941.db2.gz CHMFMQNCAHBPMN-NWDGAFQWSA-N 1 1 309.366 1.651 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454352939 420845363 /nfs/dbraw/zinc/84/53/63/420845363.db2.gz HVMWGTVISQUOGT-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454352939 420845368 /nfs/dbraw/zinc/84/53/68/420845368.db2.gz HVMWGTVISQUOGT-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO Cc1nc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000447604757 420785485 /nfs/dbraw/zinc/78/54/85/420785485.db2.gz CTRCRBOHDFFANU-RYUDHWBXSA-N 1 1 319.369 1.534 20 5 DDBDMO Cc1nnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000447604757 420785486 /nfs/dbraw/zinc/78/54/86/420785486.db2.gz CTRCRBOHDFFANU-RYUDHWBXSA-N 1 1 319.369 1.534 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455183207 420978961 /nfs/dbraw/zinc/97/89/61/420978961.db2.gz PAMTXLWHZCCQHK-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DDBDMO CC(C)[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487048854 420999705 /nfs/dbraw/zinc/99/97/05/420999705.db2.gz QYMHPALAQVKSDE-CQSZACIVSA-N 1 1 306.366 1.470 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000456167615 421111715 /nfs/dbraw/zinc/11/17/15/421111715.db2.gz NHDIOSKPWYIHHD-WCQYABFASA-N 1 1 319.361 1.770 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000456375104 421153803 /nfs/dbraw/zinc/15/38/03/421153803.db2.gz JSICMMKFDVJTLI-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000456375104 421153807 /nfs/dbraw/zinc/15/38/07/421153807.db2.gz JSICMMKFDVJTLI-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000450392138 421192066 /nfs/dbraw/zinc/19/20/66/421192066.db2.gz NWWWIQQLIYCMFC-UHFFFAOYSA-N 1 1 314.349 1.723 20 5 DDBDMO C[C@@H](O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000450574385 421211403 /nfs/dbraw/zinc/21/14/03/421211403.db2.gz ZUAGWTORMXWLOG-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000550657230 421521703 /nfs/dbraw/zinc/52/17/03/421521703.db2.gz NUPLIUBDDAHHOH-GFCCVEGCSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516382878 421542462 /nfs/dbraw/zinc/54/24/62/421542462.db2.gz MXEAFSRGTQFWER-LBPRGKRZSA-N 1 1 308.382 1.928 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1 ZINC000570292981 421636044 /nfs/dbraw/zinc/63/60/44/421636044.db2.gz GZPGWFYIPMQSNN-AWEZNQCLSA-N 1 1 304.350 1.771 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518313423 421646999 /nfs/dbraw/zinc/64/69/99/421646999.db2.gz AVAQGOUMYAXZHL-ZDUSSCGKSA-N 1 1 322.365 1.367 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366852 421747277 /nfs/dbraw/zinc/74/72/77/421747277.db2.gz IUZCQOXOYSTCJD-RYUDHWBXSA-N 1 1 308.382 1.784 20 5 DDBDMO COC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000522537968 421824548 /nfs/dbraw/zinc/82/45/48/421824548.db2.gz PBGLBPCQIQHLMW-UHFFFAOYSA-N 1 1 308.338 1.065 20 5 DDBDMO NC(=O)c1cccc(N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000341739955 271194551 /nfs/dbraw/zinc/19/45/51/271194551.db2.gz BWQPDMXJZYATOW-NSHDSACASA-N 1 1 304.350 1.368 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343451718 271776856 /nfs/dbraw/zinc/77/68/56/271776856.db2.gz OLEBVOQRUXOEFW-CHWSQXEVSA-N 1 1 321.377 1.963 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964282 272377095 /nfs/dbraw/zinc/37/70/95/272377095.db2.gz QGPUQGUHNXXJDB-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964282 272377097 /nfs/dbraw/zinc/37/70/97/272377097.db2.gz QGPUQGUHNXXJDB-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964282 272377100 /nfs/dbraw/zinc/37/71/00/272377100.db2.gz QGPUQGUHNXXJDB-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000345964282 272377102 /nfs/dbraw/zinc/37/71/02/272377102.db2.gz QGPUQGUHNXXJDB-WDEREUQCSA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)C1 ZINC000346244108 272440986 /nfs/dbraw/zinc/44/09/86/272440986.db2.gz UNJPEFOYRLLDEA-SDDRHHMPSA-N 1 1 321.381 1.131 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000274025806 275041224 /nfs/dbraw/zinc/04/12/24/275041224.db2.gz WMZDQTWLXRGZIE-BXUZGUMPSA-N 1 1 303.366 1.838 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549189 276040378 /nfs/dbraw/zinc/04/03/78/276040378.db2.gz XJARPNMCFVNIPB-MNOVXSKESA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549189 276040379 /nfs/dbraw/zinc/04/03/79/276040379.db2.gz XJARPNMCFVNIPB-MNOVXSKESA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549189 276040383 /nfs/dbraw/zinc/04/03/83/276040383.db2.gz XJARPNMCFVNIPB-MNOVXSKESA-N 1 1 323.397 1.854 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000285012787 277121760 /nfs/dbraw/zinc/12/17/60/277121760.db2.gz MKUFLZVNNGCLAT-VXGBXAGGSA-N 1 1 312.757 1.553 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000272063949 278745080 /nfs/dbraw/zinc/74/50/80/278745080.db2.gz DCQXXJVVJKRTEA-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279763104 279316836 /nfs/dbraw/zinc/31/68/36/279316836.db2.gz RSTWUHWVSBAOHP-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000107891504 279395266 /nfs/dbraw/zinc/39/52/66/279395266.db2.gz ZXMACUPJXSDIOK-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285678573 290267559 /nfs/dbraw/zinc/26/75/59/290267559.db2.gz HNJACADYCCCHNG-QKCSRTOESA-N 1 1 304.350 1.754 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285678573 290267562 /nfs/dbraw/zinc/26/75/62/290267562.db2.gz HNJACADYCCCHNG-QKCSRTOESA-N 1 1 304.350 1.754 20 5 DDBDMO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000354205238 298362930 /nfs/dbraw/zinc/36/29/30/298362930.db2.gz QVVHZJYVJUNCGR-NXEZZACHSA-N 1 1 321.333 1.992 20 5 DDBDMO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000354205238 298362934 /nfs/dbraw/zinc/36/29/34/298362934.db2.gz QVVHZJYVJUNCGR-NXEZZACHSA-N 1 1 321.333 1.992 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[C@@H](C)C1 ZINC000362153848 300017816 /nfs/dbraw/zinc/01/78/16/300017816.db2.gz GIWMKFKJKPWSKO-ZIAGYGMSSA-N 1 1 323.393 1.894 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000362193323 300025969 /nfs/dbraw/zinc/02/59/69/300025969.db2.gz YOVXSKKYDKNBIL-PXWWUCIGSA-N 1 1 310.325 1.945 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000362905826 300175301 /nfs/dbraw/zinc/17/53/01/300175301.db2.gz JRZIVCSYBGNOEG-CQSZACIVSA-N 1 1 319.361 1.670 20 5 DDBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368964175 301111335 /nfs/dbraw/zinc/11/13/35/301111335.db2.gz NDCQJJJAVVZLIA-JMSVASOKSA-N 1 1 319.361 1.559 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370044618 301264465 /nfs/dbraw/zinc/26/44/65/301264465.db2.gz FQRNQKQOVVRJCI-JHJVBQTASA-N 1 1 305.382 1.244 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370081695 301272483 /nfs/dbraw/zinc/27/24/83/301272483.db2.gz KAANNVZMXXCATI-INIZCTEOSA-N 1 1 319.361 1.770 20 5 DDBDMO CC1(C)CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)O1 ZINC000496747726 302619850 /nfs/dbraw/zinc/61/98/50/302619850.db2.gz GIBNGDZHXILFKS-UHFFFAOYSA-N 1 1 323.353 1.617 20 5 DDBDMO CCOC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000524000225 302902453 /nfs/dbraw/zinc/90/24/53/302902453.db2.gz SUUTWQCRDBVVKH-UHFFFAOYSA-N 1 1 322.365 1.455 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000530819580 303214062 /nfs/dbraw/zinc/21/40/62/303214062.db2.gz WOBPIFUDQADKAG-CYBMUJFWSA-N 1 1 320.393 1.737 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000531726633 303253316 /nfs/dbraw/zinc/25/33/16/303253316.db2.gz QXIZQSMBMSFAAQ-YPMHNXCESA-N 1 1 306.366 1.490 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000531887978 303264032 /nfs/dbraw/zinc/26/40/32/303264032.db2.gz PSWVLFGVKFEDDW-LBPRGKRZSA-N 1 1 304.306 1.616 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535043459 303341869 /nfs/dbraw/zinc/34/18/69/303341869.db2.gz YIWLGLPOPPXZOG-GFCCVEGCSA-N 1 1 315.333 1.245 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535043459 303341870 /nfs/dbraw/zinc/34/18/70/303341870.db2.gz YIWLGLPOPPXZOG-GFCCVEGCSA-N 1 1 315.333 1.245 20 5 DDBDMO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004145 307114250 /nfs/dbraw/zinc/11/42/50/307114250.db2.gz YNPZAOVNUMJLEU-RYUDHWBXSA-N 1 1 308.338 1.381 20 5 DDBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000374695378 307211786 /nfs/dbraw/zinc/21/17/86/307211786.db2.gz FNIMJXROSTXSGG-RISCZKNCSA-N 1 1 308.338 1.066 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000376663592 307252379 /nfs/dbraw/zinc/25/23/79/307252379.db2.gz LJGVZJBHDXMSEJ-CMPLNLGQSA-N 1 1 320.349 1.170 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488375 307289280 /nfs/dbraw/zinc/28/92/80/307289280.db2.gz AUPCEZWOSJWTOI-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488375 307289281 /nfs/dbraw/zinc/28/92/81/307289281.db2.gz AUPCEZWOSJWTOI-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488375 307289282 /nfs/dbraw/zinc/28/92/82/307289282.db2.gz AUPCEZWOSJWTOI-LCGIIJARSA-N 1 1 317.389 1.678 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000378490001 307289533 /nfs/dbraw/zinc/28/95/33/307289533.db2.gz CEJKPQKVTXHWNH-SMDDNHRTSA-N 1 1 304.350 1.464 20 5 DDBDMO Cn1cc([C@@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000518397986 307442053 /nfs/dbraw/zinc/44/20/53/307442053.db2.gz SLWUCSNKDYYQIM-UONOGXRCSA-N 1 1 302.334 1.639 20 5 DDBDMO COc1cc(CN2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000564666073 308002635 /nfs/dbraw/zinc/00/26/35/308002635.db2.gz MDPOLYZDKWLXMZ-UHFFFAOYSA-N 1 1 317.349 1.649 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000576686347 308331894 /nfs/dbraw/zinc/33/18/94/308331894.db2.gz KZOPGTSBJZXLKC-KOLCDFICSA-N 1 1 307.354 1.024 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CCC[N@H+](CCO)CC1)CCCC2 ZINC000576866468 308345257 /nfs/dbraw/zinc/34/52/57/308345257.db2.gz AHVMFWSVDYZIBV-UHFFFAOYSA-N 1 1 320.393 1.373 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000443951542 534463189 /nfs/dbraw/zinc/46/31/89/534463189.db2.gz KETYGTSUHUEGKC-TXEJJXNPSA-N 1 1 311.386 1.630 20 5 DDBDMO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000736859243 599120073 /nfs/dbraw/zinc/12/00/73/599120073.db2.gz XVELZNCXMDJXKQ-NSHDSACASA-N 1 1 317.353 1.305 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824860824 608196997 /nfs/dbraw/zinc/19/69/97/608196997.db2.gz YAPUCZCGSRQXSM-NXEZZACHSA-N 1 1 317.353 1.304 20 5 DDBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119852970 696686795 /nfs/dbraw/zinc/68/67/95/696686795.db2.gz CQMMIGWDIMHIJL-SECBINFHSA-N 1 1 319.408 1.371 20 5 DDBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119852970 696686797 /nfs/dbraw/zinc/68/67/97/696686797.db2.gz CQMMIGWDIMHIJL-SECBINFHSA-N 1 1 319.408 1.371 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430771 697510193 /nfs/dbraw/zinc/51/01/93/697510193.db2.gz JMLIINFTJNQVEF-HZPDHXFCSA-N 1 1 317.389 1.775 20 5 DDBDMO C[N@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430771 697510194 /nfs/dbraw/zinc/51/01/94/697510194.db2.gz JMLIINFTJNQVEF-HZPDHXFCSA-N 1 1 317.389 1.775 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430771 697510195 /nfs/dbraw/zinc/51/01/95/697510195.db2.gz JMLIINFTJNQVEF-HZPDHXFCSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1nn(C[N@H+]2CCOCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000774650752 697907344 /nfs/dbraw/zinc/90/73/44/697907344.db2.gz RQFIMQUUVBCDFL-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@@H+]2CCOCC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000774650752 697907346 /nfs/dbraw/zinc/90/73/46/697907346.db2.gz RQFIMQUUVBCDFL-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO C[C@H]1CCC[N@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278230 698091408 /nfs/dbraw/zinc/09/14/08/698091408.db2.gz SMJWRJHCEFZQDU-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278230 698091412 /nfs/dbraw/zinc/09/14/12/698091412.db2.gz SMJWRJHCEFZQDU-BBRMVZONSA-N 1 1 307.394 1.950 20 5 DDBDMO O=C1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCN1 ZINC000777957845 698233465 /nfs/dbraw/zinc/23/34/65/698233465.db2.gz XOEANXZNTVRTIE-UHFFFAOYSA-N 1 1 315.333 1.238 20 5 DDBDMO O=C1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCN1 ZINC000777957845 698233468 /nfs/dbraw/zinc/23/34/68/698233468.db2.gz XOEANXZNTVRTIE-UHFFFAOYSA-N 1 1 315.333 1.238 20 5 DDBDMO CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000781960992 698666212 /nfs/dbraw/zinc/66/62/12/698666212.db2.gz PKLFSXRWKGWKOU-OAHLLOKOSA-N 1 1 323.393 1.017 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000750884072 700254595 /nfs/dbraw/zinc/25/45/95/700254595.db2.gz UVPTUEMQWJTTLD-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO CC[N@H+](CCO)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676537 698867322 /nfs/dbraw/zinc/86/73/22/698867322.db2.gz MMNWYALGBGNURJ-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO CC[N@@H+](CCO)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676537 698867329 /nfs/dbraw/zinc/86/73/29/698867329.db2.gz MMNWYALGBGNURJ-UHFFFAOYSA-N 1 1 301.774 1.652 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000787326590 699206074 /nfs/dbraw/zinc/20/60/74/699206074.db2.gz IMCGWWXDCBCSOX-HONMWMINSA-N 1 1 308.334 1.512 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789773060 699407560 /nfs/dbraw/zinc/40/75/60/699407560.db2.gz OFDHXLDMPNYZQZ-HNNXBMFYSA-N 1 1 322.361 1.790 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000791053799 699609001 /nfs/dbraw/zinc/60/90/01/699609001.db2.gz HGOTYGRQKUDKOW-LLVKDONJSA-N 1 1 303.156 1.691 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000791053799 699609002 /nfs/dbraw/zinc/60/90/02/699609002.db2.gz HGOTYGRQKUDKOW-LLVKDONJSA-N 1 1 303.156 1.691 20 5 DDBDMO Nc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000791258858 699618078 /nfs/dbraw/zinc/61/80/78/699618078.db2.gz LQPJBDUBCAIAIB-YPMHNXCESA-N 1 1 322.340 1.435 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]2C1 ZINC000793928520 699787302 /nfs/dbraw/zinc/78/73/02/699787302.db2.gz IXUPORXTHOGQON-ZJUUUORDSA-N 1 1 322.340 1.340 20 5 DDBDMO COc1c(C(=O)NCC[N@H+]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000795270998 699855057 /nfs/dbraw/zinc/85/50/57/699855057.db2.gz PNFDDHCXADJCES-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CO[C@H]1C[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000795675620 699883302 /nfs/dbraw/zinc/88/33/02/699883302.db2.gz SBAOJWIVBCGDMP-OKILXGFUSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000795675620 699883305 /nfs/dbraw/zinc/88/33/05/699883305.db2.gz SBAOJWIVBCGDMP-OKILXGFUSA-N 1 1 317.349 1.920 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000801991312 700362537 /nfs/dbraw/zinc/36/25/37/700362537.db2.gz MKCVARHXJWWXSL-RYUDHWBXSA-N 1 1 302.277 1.942 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000756519255 700625186 /nfs/dbraw/zinc/62/51/86/700625186.db2.gz HVNLLUPRCPSXLW-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000763113693 700926227 /nfs/dbraw/zinc/92/62/27/700926227.db2.gz FFVYQBHEGSHCOP-UHFFFAOYSA-N 1 1 304.306 1.929 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCOC1 ZINC000767028536 701078866 /nfs/dbraw/zinc/07/88/66/701078866.db2.gz BXKNVMPHQKGIJS-AWEZNQCLSA-N 1 1 312.297 1.546 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000840093264 701965471 /nfs/dbraw/zinc/96/54/71/701965471.db2.gz IZTDFTPIHRKOCW-NSHDSACASA-N 1 1 320.349 1.486 20 5 DDBDMO COc1cc(Cc2noc(C[NH2+]C3CC3)n2)ccc1[N+](=O)[O-] ZINC000843191948 702838394 /nfs/dbraw/zinc/83/83/94/702838394.db2.gz OZGJNPISWSOIDW-UHFFFAOYSA-N 1 1 304.306 1.829 20 5 DDBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC([NH3+])C1 ZINC000843387545 702871693 /nfs/dbraw/zinc/87/16/93/702871693.db2.gz LONSILGMJICNSV-UHFFFAOYSA-N 1 1 310.329 1.484 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459227 703034318 /nfs/dbraw/zinc/03/43/18/703034318.db2.gz QVQLWFUHUVBVCS-GARJFASQSA-N 1 1 314.288 1.531 20 5 DDBDMO C[C@@H]1[C@H](COC(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000845814040 703205449 /nfs/dbraw/zinc/20/54/49/703205449.db2.gz JPQQQIAVWZFJDJ-NEPJUHHUSA-N 1 1 308.334 1.857 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000820272083 704250590 /nfs/dbraw/zinc/25/05/90/704250590.db2.gz JGIOFBOYOXQOLY-HNKHHVNMSA-N 1 1 315.373 1.861 20 5 DDBDMO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000858322794 704694744 /nfs/dbraw/zinc/69/47/44/704694744.db2.gz JQXIINJQGOIPJP-MRVPVSSYSA-N 1 1 301.730 1.746 20 5 DDBDMO Cc1nn(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000863322991 705901586 /nfs/dbraw/zinc/90/15/86/705901586.db2.gz XOQGAPUDXCKDFJ-KLPPZKSPSA-N 1 1 317.349 1.406 20 5 DDBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[NH+]1CCC1 ZINC000827573385 706029107 /nfs/dbraw/zinc/02/91/07/706029107.db2.gz JWARYXDCCNAYRA-UHFFFAOYSA-N 1 1 324.312 1.128 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000828987425 706269205 /nfs/dbraw/zinc/26/92/05/706269205.db2.gz CRJMZNDUCJHDBH-IINYFYTJSA-N 1 1 304.350 1.095 20 5 DDBDMO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000878356469 706368556 /nfs/dbraw/zinc/36/85/56/706368556.db2.gz VLRJETXXMLVHAX-LBPRGKRZSA-N 1 1 320.393 1.456 20 5 DDBDMO Cn1ncc(CCCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000865832957 706538987 /nfs/dbraw/zinc/53/89/87/706538987.db2.gz TZEWOVLIUWUNAR-UHFFFAOYSA-N 1 1 312.333 1.738 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138962 706888350 /nfs/dbraw/zinc/88/83/50/706888350.db2.gz JGQOKTFDKRDWDK-OCCSQVGLSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851560 707138730 /nfs/dbraw/zinc/13/87/30/707138730.db2.gz ZNSKQJCHWGVXDI-OCCSQVGLSA-N 1 1 322.409 1.674 20 5 DDBDMO C[C@@H](NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834851560 707138731 /nfs/dbraw/zinc/13/87/31/707138731.db2.gz ZNSKQJCHWGVXDI-OCCSQVGLSA-N 1 1 322.409 1.674 20 5 DDBDMO CC[NH+](CC)Cc1cn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000881399372 707235670 /nfs/dbraw/zinc/23/56/70/707235670.db2.gz XNCCVRIBAOCALP-HNNXBMFYSA-N 1 1 319.365 1.762 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000927127089 712945056 /nfs/dbraw/zinc/94/50/56/712945056.db2.gz QWQSNJOQHJYYDB-NOZJJQNGSA-N 1 1 308.313 1.852 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)C1 ZINC000881985494 707455036 /nfs/dbraw/zinc/45/50/36/707455036.db2.gz NRVAJDSPWWLDDP-GFCCVEGCSA-N 1 1 323.372 1.345 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872757400 707586761 /nfs/dbraw/zinc/58/67/61/707586761.db2.gz BCNCIRJOIGEMCE-WDEREUQCSA-N 1 1 312.757 1.289 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780113 707596708 /nfs/dbraw/zinc/59/67/08/707596708.db2.gz JPCLUSJEILYYIA-UWVGGRQHSA-N 1 1 303.322 1.804 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000882484462 707655319 /nfs/dbraw/zinc/65/53/19/707655319.db2.gz DCSSWWHBBJYKOF-NSHDSACASA-N 1 1 323.349 1.193 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC000896914509 708181636 /nfs/dbraw/zinc/18/16/36/708181636.db2.gz JHXFCMACJIBNBU-BZNIZROVSA-N 1 1 313.361 1.926 20 5 DDBDMO C[N@@H+](CCO)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000884824770 708388279 /nfs/dbraw/zinc/38/82/79/708388279.db2.gz MZPMTSMUDGRHEK-UHFFFAOYSA-N 1 1 319.159 1.088 20 5 DDBDMO CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897854964 708470636 /nfs/dbraw/zinc/47/06/36/708470636.db2.gz QGYPUWYMLCGSMU-FNORWQNLSA-N 1 1 318.421 1.787 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494038 708657240 /nfs/dbraw/zinc/65/72/40/708657240.db2.gz DICHUNDBUQJFSY-ZDUSSCGKSA-N 1 1 309.341 1.687 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494038 708657241 /nfs/dbraw/zinc/65/72/41/708657241.db2.gz DICHUNDBUQJFSY-ZDUSSCGKSA-N 1 1 309.341 1.687 20 5 DDBDMO C[C@](O)(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)F ZINC000885949103 708669216 /nfs/dbraw/zinc/66/92/16/708669216.db2.gz OIIMENURJOJQNY-AWEZNQCLSA-N 1 1 315.320 1.733 20 5 DDBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886315210 708741198 /nfs/dbraw/zinc/74/11/98/708741198.db2.gz AUXGOXGKUVOUAQ-DOMZBBRYSA-N 1 1 305.334 1.907 20 5 DDBDMO C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000887399070 709036587 /nfs/dbraw/zinc/03/65/87/709036587.db2.gz MBGMKGZHPLNGQO-XHBSWPGZSA-N 1 1 321.377 1.270 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-] ZINC000912916750 713123194 /nfs/dbraw/zinc/12/31/94/713123194.db2.gz RLZFVEFAVHALHZ-SNVBAGLBSA-N 1 1 307.354 1.191 20 5 DDBDMO CCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892355992 710423280 /nfs/dbraw/zinc/42/32/80/710423280.db2.gz ZBKVYCQSRLOIRD-UHFFFAOYSA-N 1 1 310.354 1.157 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000893936009 710892099 /nfs/dbraw/zinc/89/20/99/710892099.db2.gz TYNZPZWGTDGQJQ-SFYZADRCSA-N 1 1 319.287 1.487 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000895253708 711467441 /nfs/dbraw/zinc/46/74/41/711467441.db2.gz KGUBSTGDJKFDTP-UHFFFAOYSA-N 1 1 307.350 1.764 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000895253708 711467443 /nfs/dbraw/zinc/46/74/43/711467443.db2.gz KGUBSTGDJKFDTP-UHFFFAOYSA-N 1 1 307.350 1.764 20 5 DDBDMO C[C@H]1[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1C ZINC000895735269 711590452 /nfs/dbraw/zinc/59/04/52/711590452.db2.gz CBRDJOPBCDHFMI-BQBZGAKWSA-N 1 1 307.276 1.852 20 5 DDBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1C ZINC000895735149 711590496 /nfs/dbraw/zinc/59/04/96/711590496.db2.gz VFKUYKZQOAFIRI-HZMBPMFUSA-N 1 1 318.377 1.992 20 5 DDBDMO CN(C)c1cc[nH+]c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000905526212 712065419 /nfs/dbraw/zinc/06/54/19/712065419.db2.gz UQWYWQSHSRCKLT-MRXNPFEDSA-N 1 1 316.361 1.879 20 5 DDBDMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929887997 713713376 /nfs/dbraw/zinc/71/33/76/713713376.db2.gz OENUWXJPZGEMNM-UHFFFAOYSA-N 1 1 312.757 1.662 20 5 DDBDMO COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923312296 714307429 /nfs/dbraw/zinc/30/74/29/714307429.db2.gz DJVZJGAIECRGOF-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336030 714319581 /nfs/dbraw/zinc/31/95/81/714319581.db2.gz UAYDNAZLCAQQLT-UKRRQHHQSA-N 1 1 323.393 1.408 20 5 DDBDMO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336028 714319617 /nfs/dbraw/zinc/31/96/17/714319617.db2.gz UAYDNAZLCAQQLT-HIFRSBDPSA-N 1 1 323.393 1.408 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933229977 714542613 /nfs/dbraw/zinc/54/26/13/714542613.db2.gz QVGVFUVUDKIYSE-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933229977 714542616 /nfs/dbraw/zinc/54/26/16/714542616.db2.gz QVGVFUVUDKIYSE-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)CC[N@@H+](C)CC1 ZINC000933998617 714719287 /nfs/dbraw/zinc/71/92/87/714719287.db2.gz LLKPLCJPAWZCIO-CQSZACIVSA-N 1 1 306.410 1.835 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000934257581 714776900 /nfs/dbraw/zinc/77/69/00/714776900.db2.gz AMTVHBOVCKWFIH-HZPDHXFCSA-N 1 1 323.368 1.765 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164631365 719254004 /nfs/dbraw/zinc/25/40/04/719254004.db2.gz DODQEMVSIJWTFV-RKDXNWHRSA-N 1 1 322.369 1.180 20 5 DDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164631365 719254015 /nfs/dbraw/zinc/25/40/15/719254015.db2.gz DODQEMVSIJWTFV-RKDXNWHRSA-N 1 1 322.369 1.180 20 5 DDBDMO CC(C)[C@](C)(Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)C(N)=O ZINC001167419217 733433798 /nfs/dbraw/zinc/43/37/98/733433798.db2.gz SWEZQIPITIXQMJ-INIZCTEOSA-N 1 1 320.393 1.895 20 5 DDBDMO CC(C)[C@](C)(Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)C(N)=O ZINC001167419217 733433802 /nfs/dbraw/zinc/43/38/02/733433802.db2.gz SWEZQIPITIXQMJ-INIZCTEOSA-N 1 1 320.393 1.895 20 5 DDBDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025685015 736820055 /nfs/dbraw/zinc/82/00/55/736820055.db2.gz JQFZMZLUYCSMBH-FICVDOATSA-N 1 1 303.362 1.797 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001198883810 747646012 /nfs/dbraw/zinc/64/60/12/747646012.db2.gz VJIJPXFAFVAJBI-OAHLLOKOSA-N 1 1 320.393 1.584 20 5 DDBDMO CCC(CC)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000673137 762077343 /nfs/dbraw/zinc/07/73/43/762077343.db2.gz FGDZSXUSAPQNCM-HUUCEWRRSA-N 1 1 309.410 1.836 20 5 DDBDMO CCC(CC)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673137 762077353 /nfs/dbraw/zinc/07/73/53/762077353.db2.gz FGDZSXUSAPQNCM-HUUCEWRRSA-N 1 1 309.410 1.836 20 5 DDBDMO CCC(CC)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000673137 762077363 /nfs/dbraw/zinc/07/73/63/762077363.db2.gz FGDZSXUSAPQNCM-HUUCEWRRSA-N 1 1 309.410 1.836 20 5 DDBDMO COc1ccccc1C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168994064 762167862 /nfs/dbraw/zinc/16/78/62/762167862.db2.gz OLFLAOADKUUQCA-CHWSQXEVSA-N 1 1 306.362 1.956 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030129 762186403 /nfs/dbraw/zinc/18/64/03/762186403.db2.gz WUHQBOWUUZHXRJ-IBEHDNSVSA-N 1 1 310.394 1.558 20 5 DDBDMO CCn1ncc2c1[C@H](COC)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025073 762201867 /nfs/dbraw/zinc/20/18/67/762201867.db2.gz XNEIHPOAOMUOIM-VHDGCEQUSA-N 1 1 322.409 1.894 20 5 DDBDMO O=C1[C@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2CN1CC1CC1 ZINC001169025221 762203349 /nfs/dbraw/zinc/20/33/49/762203349.db2.gz YDZUWGPWPFHOBM-XQLPTFJDSA-N 1 1 307.394 1.232 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170329524 766255037 /nfs/dbraw/zinc/25/50/37/766255037.db2.gz QMUMVGLMRRPMBG-GWCFXTLKSA-N 1 1 307.350 1.484 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170329524 766255039 /nfs/dbraw/zinc/25/50/39/766255039.db2.gz QMUMVGLMRRPMBG-GWCFXTLKSA-N 1 1 307.350 1.484 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ncc([N+](=O)[O-])cc1C ZINC001094517123 775973198 /nfs/dbraw/zinc/97/31/98/775973198.db2.gz DUFRUZMNRWDNCM-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907531 776918472 /nfs/dbraw/zinc/91/84/72/776918472.db2.gz GXQVGZYIALVFLJ-BXUZGUMPSA-N 1 1 303.362 1.663 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(=O)N1 ZINC001172907531 776918481 /nfs/dbraw/zinc/91/84/81/776918481.db2.gz GXQVGZYIALVFLJ-BXUZGUMPSA-N 1 1 303.362 1.663 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)c1F ZINC001173181329 777035503 /nfs/dbraw/zinc/03/55/03/777035503.db2.gz OQGPBRHMPRPQTN-CWSCBRNRSA-N 1 1 312.341 1.986 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnn2-c2ccncc2)c1 ZINC001178064320 778846483 /nfs/dbraw/zinc/84/64/83/778846483.db2.gz CNFKZYDYXYIPEH-UHFFFAOYSA-N 1 1 313.321 1.162 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118921842 781273502 /nfs/dbraw/zinc/27/35/02/781273502.db2.gz GPVGBVZAMLEKJT-ZDUSSCGKSA-N 1 1 321.352 1.973 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001119344398 781413015 /nfs/dbraw/zinc/41/30/15/781413015.db2.gz LIBNWZQUPGSACE-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001119344398 781413021 /nfs/dbraw/zinc/41/30/21/781413021.db2.gz LIBNWZQUPGSACE-ZDUSSCGKSA-N 1 1 313.379 1.108 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001266682823 836660646 /nfs/dbraw/zinc/66/06/46/836660646.db2.gz AVOBBQDYOSOPAK-LMLFDSFASA-N 1 1 323.315 1.621 20 5 DDBDMO Cc1ccnc(NCC2(N(C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001156177015 862776294 /nfs/dbraw/zinc/77/62/94/862776294.db2.gz YFCKLBIRXUSGTG-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001124088472 859572023 /nfs/dbraw/zinc/57/20/23/859572023.db2.gz UWTJSHZIGRYCQP-MGPQQGTHSA-N 1 1 303.362 1.973 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCC[NH+]1CCOCC1)C2 ZINC001224864249 881563673 /nfs/dbraw/zinc/56/36/73/881563673.db2.gz GDZNPDNJIZQHGG-INIZCTEOSA-N 1 1 306.362 1.801 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001157266668 863696078 /nfs/dbraw/zinc/69/60/78/863696078.db2.gz VXJIZHOIWLFAHZ-JOYOIKCWSA-N 1 1 307.310 1.428 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC001160152452 865702652 /nfs/dbraw/zinc/70/26/52/865702652.db2.gz BISZCSGSGMJCQC-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1ncc([N+](=O)[O-])c(NCC[NH+]2CCC(F)(F)CC2)n1 ZINC001160748897 866097285 /nfs/dbraw/zinc/09/72/85/866097285.db2.gz DZTVTNODFKWVFZ-UHFFFAOYSA-N 1 1 301.297 1.836 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1CCC[C@H](CF)C1)c1cccc([N+](=O)[O-])c1 ZINC001333216283 866527414 /nfs/dbraw/zinc/52/74/14/866527414.db2.gz UUNXPZIEIZNOLN-ABAIWWIYSA-N 1 1 309.341 1.977 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001320547819 866817947 /nfs/dbraw/zinc/81/79/47/866817947.db2.gz LHTGXXIPCBPPHO-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001320547819 866817959 /nfs/dbraw/zinc/81/79/59/866817959.db2.gz LHTGXXIPCBPPHO-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO Cc1nc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416541 867266722 /nfs/dbraw/zinc/26/67/22/867266722.db2.gz FZCCCNPWJYPGLN-GFCCVEGCSA-N 1 1 320.397 1.274 20 5 DDBDMO Cc1nc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001324416541 867266734 /nfs/dbraw/zinc/26/67/34/867266734.db2.gz FZCCCNPWJYPGLN-GFCCVEGCSA-N 1 1 320.397 1.274 20 5 DDBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001335518729 868357447 /nfs/dbraw/zinc/35/74/47/868357447.db2.gz GKWNPUYWEHLQHO-SNVBAGLBSA-N 1 1 319.321 1.042 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CC[C@@H](O)[C@@H](F)CC2)ncc1[N+](=O)[O-] ZINC001164237332 869045415 /nfs/dbraw/zinc/04/54/15/869045415.db2.gz JHXOLOBMZRCXDI-CZOIOIDKSA-N 1 1 324.356 1.821 20 5 DDBDMO O=[N+]([O-])c1ccsc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001336869268 869191043 /nfs/dbraw/zinc/19/10/43/869191043.db2.gz SIYYZOGAQPWPEN-GXFFZTMASA-N 1 1 313.379 1.294 20 5 DDBDMO O=[N+]([O-])c1ccsc1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001336869268 869191047 /nfs/dbraw/zinc/19/10/47/869191047.db2.gz SIYYZOGAQPWPEN-GXFFZTMASA-N 1 1 313.379 1.294 20 5 DDBDMO CN(CCNC(=O)CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317459282 871350533 /nfs/dbraw/zinc/35/05/33/871350533.db2.gz LYOGDZGFPBKEQU-UHFFFAOYSA-N 1 1 308.382 1.095 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])n1 ZINC001307717548 871451966 /nfs/dbraw/zinc/45/19/66/871451966.db2.gz UKSOGPVVQRLGDV-UHFFFAOYSA-N 1 1 319.321 1.911 20 5 DDBDMO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])n1 ZINC001307717548 871451950 /nfs/dbraw/zinc/45/19/50/871451950.db2.gz UKSOGPVVQRLGDV-UHFFFAOYSA-N 1 1 319.321 1.911 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](c3ncccn3)C2)cc1 ZINC001308111073 871470891 /nfs/dbraw/zinc/47/08/91/871470891.db2.gz BMDWUSCEEIVSQE-UKRRQHHQSA-N 1 1 314.345 1.908 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001308948983 871536416 /nfs/dbraw/zinc/53/64/16/871536416.db2.gz UWLVGWGTOVMINN-PBHICJAKSA-N 1 1 320.437 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001308948983 871536437 /nfs/dbraw/zinc/53/64/37/871536437.db2.gz UWLVGWGTOVMINN-PBHICJAKSA-N 1 1 320.437 1.936 20 5 DDBDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC001318910737 872340391 /nfs/dbraw/zinc/34/03/91/872340391.db2.gz PGJCBERXCQFKIC-ZDUSSCGKSA-N 1 1 310.354 1.599 20 5 DDBDMO CN1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289332 877232907 /nfs/dbraw/zinc/23/29/07/877232907.db2.gz XTBBAZJKTSVQNZ-UKRRQHHQSA-N 1 1 323.393 1.266 20 5 DDBDMO C[N@H+]1CCC[C@@H](Oc2cc(N3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC001234359573 887905054 /nfs/dbraw/zinc/90/50/54/887905054.db2.gz HPPAAPYADBUSIH-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO CC[C@](N)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469386 896456716 /nfs/dbraw/zinc/45/67/16/896456716.db2.gz LTHVKZOGYBALLJ-OAHLLOKOSA-N 1 1 308.382 1.211 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]21 ZINC001254602788 896526775 /nfs/dbraw/zinc/52/67/75/896526775.db2.gz IXOHNAJWGJBWEP-BYNSBNAKSA-N 1 1 302.330 1.413 20 5 DDBDMO CCN1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610652 896530033 /nfs/dbraw/zinc/53/00/33/896530033.db2.gz MGUOIRDTPNIZHY-HLLBOEOZSA-N 1 1 301.390 1.946 20 5 DDBDMO CCN1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610652 896530045 /nfs/dbraw/zinc/53/00/45/896530045.db2.gz MGUOIRDTPNIZHY-HLLBOEOZSA-N 1 1 301.390 1.946 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261930466 899833497 /nfs/dbraw/zinc/83/34/97/899833497.db2.gz FOGSMMGTFHWSNE-CQSZACIVSA-N 1 1 304.350 1.714 20 5 DDBDMO CCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001282965071 906349676 /nfs/dbraw/zinc/34/96/76/906349676.db2.gz OJTUXWJPKUIHNT-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001282965071 906349688 /nfs/dbraw/zinc/34/96/88/906349688.db2.gz OJTUXWJPKUIHNT-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001282965071 906349700 /nfs/dbraw/zinc/34/97/00/906349700.db2.gz OJTUXWJPKUIHNT-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO COC[C@@H](C)OC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513726 214202787 /nfs/dbraw/zinc/20/27/87/214202787.db2.gz FJLDQMLXMSZKAJ-TZMCWYRMSA-N 1 1 312.366 1.439 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451741336 529388633 /nfs/dbraw/zinc/38/86/33/529388633.db2.gz OFSZVRMVGBKRGG-CYBMUJFWSA-N 1 1 308.382 1.173 20 5 DDBDMO C[C@@]12C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451378526 231081311 /nfs/dbraw/zinc/08/13/11/231081311.db2.gz YCSRAVJDXLUOAI-MLEONAHRSA-N 1 1 318.377 1.296 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451248531 529481386 /nfs/dbraw/zinc/48/13/86/529481386.db2.gz DEGIQWNYCRFFRP-XNRPHZJLSA-N 1 1 324.377 1.427 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197628 529576674 /nfs/dbraw/zinc/57/66/74/529576674.db2.gz YJPOVWAXXCQHNF-GDBMZVCRSA-N 1 1 319.361 1.547 20 5 DDBDMO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614895437 362067097 /nfs/dbraw/zinc/06/70/97/362067097.db2.gz TZHIKFAALUVYAZ-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614895437 362067102 /nfs/dbraw/zinc/06/71/02/362067102.db2.gz TZHIKFAALUVYAZ-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CC(C)CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552305 185303025 /nfs/dbraw/zinc/30/30/25/185303025.db2.gz ZWIAVYVWMGIOGR-CQSZACIVSA-N 1 1 309.366 1.503 20 5 DDBDMO CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000615140538 362170177 /nfs/dbraw/zinc/17/01/77/362170177.db2.gz VUUORYIRWNUDOA-ALCCZGGFSA-N 1 1 319.405 1.997 20 5 DDBDMO Cc1ccc(CN2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000615140433 362170315 /nfs/dbraw/zinc/17/03/15/362170315.db2.gz JXVUGBFZUWARTD-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000458222728 530054692 /nfs/dbraw/zinc/05/46/92/530054692.db2.gz QMTTYOJKTGTPRR-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO COc1cc(CNCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000279621659 215012466 /nfs/dbraw/zinc/01/24/66/215012466.db2.gz AWEZEBZBFZDKJR-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO COc1cc(CNCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000279621659 215012468 /nfs/dbraw/zinc/01/24/68/215012468.db2.gz AWEZEBZBFZDKJR-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272635809 210037556 /nfs/dbraw/zinc/03/75/56/210037556.db2.gz NRQJBUXITCRVNH-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272609432 210008368 /nfs/dbraw/zinc/00/83/68/210008368.db2.gz SDKVKSJVSJUMLD-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000280039348 215331756 /nfs/dbraw/zinc/33/17/56/215331756.db2.gz WPJFDDBWKVSGHD-UHFFFAOYSA-N 1 1 318.377 1.698 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000617285159 363037786 /nfs/dbraw/zinc/03/77/86/363037786.db2.gz CTDNZDZQJPMGQV-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000617285159 363037790 /nfs/dbraw/zinc/03/77/90/363037790.db2.gz CTDNZDZQJPMGQV-YGRLFVJLSA-N 1 1 323.349 1.052 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489329047 233936885 /nfs/dbraw/zinc/93/68/85/233936885.db2.gz NNAFKHSEWHBWFH-LLVKDONJSA-N 1 1 309.370 1.049 20 5 DDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000072722142 191221882 /nfs/dbraw/zinc/22/18/82/191221882.db2.gz IQAQJEOHZAIZCE-UHFFFAOYSA-N 1 1 307.306 1.746 20 5 DDBDMO C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000173035840 198179700 /nfs/dbraw/zinc/17/97/00/198179700.db2.gz DCMLURFGFIHLTE-LBPRGKRZSA-N 1 1 320.393 1.630 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553460 352820478 /nfs/dbraw/zinc/82/04/78/352820478.db2.gz BAWATORFZUOABX-LLVKDONJSA-N 1 1 305.334 1.327 20 5 DDBDMO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057713379 352826186 /nfs/dbraw/zinc/82/61/86/352826186.db2.gz UXFKKSOWYPLXEK-LBPRGKRZSA-N 1 1 320.393 1.996 20 5 DDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000069397355 353160177 /nfs/dbraw/zinc/16/01/77/353160177.db2.gz XHXSNAHXZAJCCI-LBPRGKRZSA-N 1 1 319.361 1.499 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000174530686 198348146 /nfs/dbraw/zinc/34/81/46/198348146.db2.gz DVLPVZRDZMXOQH-SNVBAGLBSA-N 1 1 324.356 1.730 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000089265340 353763478 /nfs/dbraw/zinc/76/34/78/353763478.db2.gz CEKLYPUVAVSBFH-NSHDSACASA-N 1 1 308.338 1.063 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000089265340 353763481 /nfs/dbraw/zinc/76/34/81/353763481.db2.gz CEKLYPUVAVSBFH-NSHDSACASA-N 1 1 308.338 1.063 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCc3n[nH]cc3C2)c2c(c1)COCO2 ZINC000125803979 354048081 /nfs/dbraw/zinc/04/80/81/354048081.db2.gz YBBMVQDVDZAQKY-UHFFFAOYSA-N 1 1 316.317 1.743 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CCc3n[nH]cc3C2)c2c(c1)COCO2 ZINC000125803979 354048084 /nfs/dbraw/zinc/04/80/84/354048084.db2.gz YBBMVQDVDZAQKY-UHFFFAOYSA-N 1 1 316.317 1.743 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305730646 354471272 /nfs/dbraw/zinc/47/12/72/354471272.db2.gz KIYQMCRENGQLKC-QMTHXVAHSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000320555841 354528002 /nfs/dbraw/zinc/52/80/02/354528002.db2.gz KMCGRARFCWNMID-LLVKDONJSA-N 1 1 305.334 1.834 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1NCC[NH+]1CCC(O)CC1 ZINC000321755470 354533385 /nfs/dbraw/zinc/53/33/85/354533385.db2.gz NCBALNALQFZBOR-UHFFFAOYSA-N 1 1 300.746 1.512 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000315940043 354498264 /nfs/dbraw/zinc/49/82/64/354498264.db2.gz YOSOYYFXRYHQLI-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000315940043 354498268 /nfs/dbraw/zinc/49/82/68/354498268.db2.gz YOSOYYFXRYHQLI-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CCc1nn(C)c(NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000588815893 354938737 /nfs/dbraw/zinc/93/87/37/354938737.db2.gz FKGYGWWUNIIJCZ-UHFFFAOYSA-N 1 1 324.429 1.330 20 5 DDBDMO CCc1nn(C)c(NCCC[N@@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000588815893 354938739 /nfs/dbraw/zinc/93/87/39/354938739.db2.gz FKGYGWWUNIIJCZ-UHFFFAOYSA-N 1 1 324.429 1.330 20 5 DDBDMO CCc1nn(C)c(NCCC[N@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000588815893 354938742 /nfs/dbraw/zinc/93/87/42/354938742.db2.gz FKGYGWWUNIIJCZ-UHFFFAOYSA-N 1 1 324.429 1.330 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000590047003 355043293 /nfs/dbraw/zinc/04/32/93/355043293.db2.gz SCONKIOSKQMRRM-ZFWWWQNUSA-N 1 1 303.362 1.690 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392011 355083977 /nfs/dbraw/zinc/08/39/77/355083977.db2.gz KGHDCHYACBDGPD-UHFFFAOYSA-N 1 1 311.363 1.061 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000590631952 355134657 /nfs/dbraw/zinc/13/46/57/355134657.db2.gz LCDCKRZXBDGCBG-VIFPVBQESA-N 1 1 311.313 1.567 20 5 DDBDMO CC1(C)C[NH2+]CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000591678341 355359886 /nfs/dbraw/zinc/35/98/86/355359886.db2.gz PHKNQBMIQIPHRU-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)CC2(C)C)c1 ZINC000593020624 355771630 /nfs/dbraw/zinc/77/16/30/355771630.db2.gz NOFLHHYOOWLCRJ-UHFFFAOYSA-N 1 1 321.377 1.907 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061322 355783739 /nfs/dbraw/zinc/78/37/39/355783739.db2.gz IOOPWKWXSNSPQH-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061322 355783740 /nfs/dbraw/zinc/78/37/40/355783740.db2.gz IOOPWKWXSNSPQH-BFHYXJOUSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593454271 355889392 /nfs/dbraw/zinc/88/93/92/355889392.db2.gz HCVOQSPUFQHIRA-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2c1 ZINC000594603877 356262731 /nfs/dbraw/zinc/26/27/31/356262731.db2.gz OJBQRGQCELYUBO-UONOGXRCSA-N 1 1 314.345 1.398 20 5 DDBDMO O=C1NCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000594964184 356365066 /nfs/dbraw/zinc/36/50/66/356365066.db2.gz PLPJWGAOTIBTGQ-LBPRGKRZSA-N 1 1 301.302 1.833 20 5 DDBDMO CO[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC000595423138 356486195 /nfs/dbraw/zinc/48/61/95/356486195.db2.gz JNELLYZVTAEFPK-NHYWBVRUSA-N 1 1 307.350 1.399 20 5 DDBDMO CO[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC000595423138 356486198 /nfs/dbraw/zinc/48/61/98/356486198.db2.gz JNELLYZVTAEFPK-NHYWBVRUSA-N 1 1 307.350 1.399 20 5 DDBDMO Cc1noc(C[N@@H+]2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595440635 356493635 /nfs/dbraw/zinc/49/36/35/356493635.db2.gz PWIGADWWTOTUMM-UHFFFAOYSA-N 1 1 313.379 1.989 20 5 DDBDMO Cc1noc(C[N@H+]2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000595440635 356493637 /nfs/dbraw/zinc/49/36/37/356493637.db2.gz PWIGADWWTOTUMM-UHFFFAOYSA-N 1 1 313.379 1.989 20 5 DDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595679779 356607878 /nfs/dbraw/zinc/60/78/78/356607878.db2.gz YCZWQXSMSAQCKQ-BXUZGUMPSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000595744664 356632624 /nfs/dbraw/zinc/63/26/24/356632624.db2.gz LKPRLBYLASVLSC-RYUDHWBXSA-N 1 1 321.377 1.506 20 5 DDBDMO CCOc1cc(C[N@@H+](C)C[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595736582 356628095 /nfs/dbraw/zinc/62/80/95/356628095.db2.gz MSGBRJPSGQBOEQ-CYBMUJFWSA-N 1 1 310.350 1.841 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595771469 356645944 /nfs/dbraw/zinc/64/59/44/356645944.db2.gz PJEUYFDCULYJAL-OSAQELSMSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759873 356641156 /nfs/dbraw/zinc/64/11/56/356641156.db2.gz QLCVJRQXWFAFMZ-MLGOLLRUSA-N 1 1 319.361 1.892 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000595761077 356641899 /nfs/dbraw/zinc/64/18/99/356641899.db2.gz WNUKVDSDRIPXAG-XJKSGUPXSA-N 1 1 320.345 1.850 20 5 DDBDMO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595801188 356656747 /nfs/dbraw/zinc/65/67/47/356656747.db2.gz FHEWYVADZLWAJG-MRXNPFEDSA-N 1 1 322.361 1.791 20 5 DDBDMO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595801188 356656750 /nfs/dbraw/zinc/65/67/50/356656750.db2.gz FHEWYVADZLWAJG-MRXNPFEDSA-N 1 1 322.361 1.791 20 5 DDBDMO O=[N+]([O-])c1ccc(CCN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595867569 356684896 /nfs/dbraw/zinc/68/48/96/356684896.db2.gz OUZSTERCCBGRBX-KRWDZBQOSA-N 1 1 319.405 1.668 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596074493 356762565 /nfs/dbraw/zinc/76/25/65/356762565.db2.gz AZGODRKAXQHARE-JSGCOSHPSA-N 1 1 304.350 1.732 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596094037 356769641 /nfs/dbraw/zinc/76/96/41/356769641.db2.gz HFGMNVJPRANCOI-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163185 356797871 /nfs/dbraw/zinc/79/78/71/356797871.db2.gz QDQGZGPQBRBEEW-ZANVPECISA-N 1 1 304.350 1.588 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000596336605 356860037 /nfs/dbraw/zinc/86/00/37/356860037.db2.gz QOKRCLBIWHKDKU-VIFPVBQESA-N 1 1 307.354 1.373 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854858 357358935 /nfs/dbraw/zinc/35/89/35/357358935.db2.gz NQTVKNAOBPXMIY-SNVBAGLBSA-N 1 1 309.370 1.477 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])s1 ZINC000599131109 357824301 /nfs/dbraw/zinc/82/43/01/357824301.db2.gz QQWIWSVQZIOATN-NSHDSACASA-N 1 1 312.395 1.716 20 5 DDBDMO C[C@]1(CO)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000599622315 357995711 /nfs/dbraw/zinc/99/57/11/357995711.db2.gz DRZNZHUGNUTMJB-IYBDPMFKSA-N 1 1 324.377 1.286 20 5 DDBDMO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601136389 358416784 /nfs/dbraw/zinc/41/67/84/358416784.db2.gz QNCCGBFQAOPMAV-RISCZKNCSA-N 1 1 314.345 1.892 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602451258 358985110 /nfs/dbraw/zinc/98/51/10/358985110.db2.gz FEMLDTARSXEHAW-GFCCVEGCSA-N 1 1 304.350 1.711 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602451258 358985113 /nfs/dbraw/zinc/98/51/13/358985113.db2.gz FEMLDTARSXEHAW-GFCCVEGCSA-N 1 1 304.350 1.711 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000602784992 359190524 /nfs/dbraw/zinc/19/05/24/359190524.db2.gz QVMXZSIOTLZBTR-NEPJUHHUSA-N 1 1 312.395 1.306 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000602845300 359233139 /nfs/dbraw/zinc/23/31/39/359233139.db2.gz HKBGJMGJFCJPDG-GFCCVEGCSA-N 1 1 309.370 1.089 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000602796889 359198664 /nfs/dbraw/zinc/19/86/64/359198664.db2.gz UFYWZRMHBVPWPM-HZSPNIEDSA-N 1 1 324.381 1.368 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000602796889 359198667 /nfs/dbraw/zinc/19/86/67/359198667.db2.gz UFYWZRMHBVPWPM-HZSPNIEDSA-N 1 1 324.381 1.368 20 5 DDBDMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000602798992 359200579 /nfs/dbraw/zinc/20/05/79/359200579.db2.gz IGPDPLNUQWHZPD-VIFPVBQESA-N 1 1 304.306 1.908 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817623 359213358 /nfs/dbraw/zinc/21/33/58/359213358.db2.gz USJQETZMWDBZPX-SCRDCRAPSA-N 1 1 322.365 1.373 20 5 DDBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602817623 359213362 /nfs/dbraw/zinc/21/33/62/359213362.db2.gz USJQETZMWDBZPX-SCRDCRAPSA-N 1 1 322.365 1.373 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000618469133 363642702 /nfs/dbraw/zinc/64/27/02/363642702.db2.gz YYEPSWVREGCNOQ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@@H+](Cc1ccns1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602885556 359269229 /nfs/dbraw/zinc/26/92/29/359269229.db2.gz YBYSVTKHFDTYLI-LLVKDONJSA-N 1 1 323.374 1.923 20 5 DDBDMO C[N@H+](Cc1ccns1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602885556 359269231 /nfs/dbraw/zinc/26/92/31/359269231.db2.gz YBYSVTKHFDTYLI-LLVKDONJSA-N 1 1 323.374 1.923 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000602965138 359329253 /nfs/dbraw/zinc/32/92/53/359329253.db2.gz ZRSBCKOQALTQTI-HIFRSBDPSA-N 1 1 310.350 1.575 20 5 DDBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000603142248 359431553 /nfs/dbraw/zinc/43/15/53/359431553.db2.gz IMWXRXRXELXWSI-AOOOYVTPSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000603142248 359431558 /nfs/dbraw/zinc/43/15/58/359431558.db2.gz IMWXRXRXELXWSI-AOOOYVTPSA-N 1 1 309.370 1.191 20 5 DDBDMO COC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000604198013 359725460 /nfs/dbraw/zinc/72/54/60/359725460.db2.gz DHWMFJWOTHPDPI-LBPRGKRZSA-N 1 1 321.333 1.205 20 5 DDBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609619802 360336434 /nfs/dbraw/zinc/33/64/34/360336434.db2.gz DAQRZQKBWBHAQR-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609619802 360336436 /nfs/dbraw/zinc/33/64/36/360336436.db2.gz DAQRZQKBWBHAQR-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000609619802 360336441 /nfs/dbraw/zinc/33/64/41/360336441.db2.gz DAQRZQKBWBHAQR-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000610125851 360384134 /nfs/dbraw/zinc/38/41/34/360384134.db2.gz VDAQHTFAUZCQMM-VXGBXAGGSA-N 1 1 308.382 1.878 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H]1C ZINC000610125848 360384276 /nfs/dbraw/zinc/38/42/76/360384276.db2.gz VDAQHTFAUZCQMM-NEPJUHHUSA-N 1 1 308.382 1.878 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610615795 360481980 /nfs/dbraw/zinc/48/19/80/360481980.db2.gz XWBUQSZIOYXDOZ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000610615795 360481983 /nfs/dbraw/zinc/48/19/83/360481983.db2.gz XWBUQSZIOYXDOZ-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000611087918 360618200 /nfs/dbraw/zinc/61/82/00/360618200.db2.gz RYKHECUUQJXHHJ-NSHDSACASA-N 1 1 309.370 1.042 20 5 DDBDMO CC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092299 360621530 /nfs/dbraw/zinc/62/15/30/360621530.db2.gz ODQPXSBFMFBKHQ-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO COc1cc(C[N@H+](CCCO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000611271622 360686084 /nfs/dbraw/zinc/68/60/84/360686084.db2.gz VMIRNHGULZITFZ-UHFFFAOYSA-N 1 1 310.350 1.959 20 5 DDBDMO COc1cc(C[N@@H+](CCCO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000611271622 360686087 /nfs/dbraw/zinc/68/60/87/360686087.db2.gz VMIRNHGULZITFZ-UHFFFAOYSA-N 1 1 310.350 1.959 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276732 360687770 /nfs/dbraw/zinc/68/77/70/360687770.db2.gz FRILYLBRAXHRDM-SNVBAGLBSA-N 1 1 323.349 1.180 20 5 DDBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000271813581 209236650 /nfs/dbraw/zinc/23/66/50/209236650.db2.gz MKEXWSMFUKTXEF-NSHDSACASA-N 1 1 316.365 1.899 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000566115246 304119932 /nfs/dbraw/zinc/11/99/32/304119932.db2.gz IHSSANDHDBUBME-HZSPNIEDSA-N 1 1 323.393 1.407 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275149964 212151235 /nfs/dbraw/zinc/15/12/35/212151235.db2.gz GKQYIRLXADGVMP-VIFPVBQESA-N 1 1 319.321 1.616 20 5 DDBDMO CCOCCNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282560755 217090248 /nfs/dbraw/zinc/09/02/48/217090248.db2.gz YKKLUFHSKJHINZ-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CCOCCNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282560755 217090251 /nfs/dbraw/zinc/09/02/51/217090251.db2.gz YKKLUFHSKJHINZ-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCF ZINC000282748580 217223662 /nfs/dbraw/zinc/22/36/62/217223662.db2.gz SFSWCXSIPQCDFM-MRVPVSSYSA-N 1 1 303.721 1.812 20 5 DDBDMO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266309775 205256628 /nfs/dbraw/zinc/25/66/28/205256628.db2.gz NUHYABMXWZGRFH-NSHDSACASA-N 1 1 309.370 1.430 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284669831 218124977 /nfs/dbraw/zinc/12/49/77/218124977.db2.gz GUTZNXJURBHRSG-KGLIPLIRSA-N 1 1 307.350 1.400 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000284794154 218181677 /nfs/dbraw/zinc/18/16/77/218181677.db2.gz OERPLHXNHHGJDD-LBPRGKRZSA-N 1 1 309.370 1.172 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285354062 218393401 /nfs/dbraw/zinc/39/34/01/218393401.db2.gz PVNISZSBGHKUIP-MRXNPFEDSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000285354062 218393403 /nfs/dbraw/zinc/39/34/03/218393403.db2.gz PVNISZSBGHKUIP-MRXNPFEDSA-N 1 1 322.361 1.855 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938471 251290558 /nfs/dbraw/zinc/29/05/58/251290558.db2.gz WHOZVUHOZSRWBW-CABZTGNLSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000340938471 251290563 /nfs/dbraw/zinc/29/05/63/251290563.db2.gz WHOZVUHOZSRWBW-CABZTGNLSA-N 1 1 304.306 1.600 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340925919 251281757 /nfs/dbraw/zinc/28/17/57/251281757.db2.gz IVVXCMIYBPCONN-AAEUAGOBSA-N 1 1 307.350 1.687 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158195248 197252706 /nfs/dbraw/zinc/25/27/06/197252706.db2.gz SMEVHXHHWFRYLQ-UHFFFAOYSA-N 1 1 320.393 1.585 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000063703188 184286639 /nfs/dbraw/zinc/28/66/39/184286639.db2.gz MBBKRGVCKLUKRU-UHFFFAOYSA-N 1 1 320.393 1.271 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000066137775 184392238 /nfs/dbraw/zinc/39/22/38/184392238.db2.gz NYNBOBGREXTQHP-SNVBAGLBSA-N 1 1 324.337 1.963 20 5 DDBDMO CC[N@H+](CCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000120008957 195079641 /nfs/dbraw/zinc/07/96/41/195079641.db2.gz XQMIFWATMIDKPB-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000120008957 195079643 /nfs/dbraw/zinc/07/96/43/195079643.db2.gz XQMIFWATMIDKPB-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CSC[NH2+]1 ZINC000159142884 197330231 /nfs/dbraw/zinc/33/02/31/197330231.db2.gz MYRJNEJWYAIQFY-ZDUSSCGKSA-N 1 1 309.391 1.696 20 5 DDBDMO CO[C@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293061605 533084900 /nfs/dbraw/zinc/08/49/00/533084900.db2.gz IMYHSKDZNPZETD-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C1CC1)C1COC1 ZINC000295536801 285164675 /nfs/dbraw/zinc/16/46/75/285164675.db2.gz VXCNETRKAAHLQA-ZDUSSCGKSA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)C1COC1 ZINC000295536801 285164676 /nfs/dbraw/zinc/16/46/76/285164676.db2.gz VXCNETRKAAHLQA-ZDUSSCGKSA-N 1 1 308.334 1.198 20 5 DDBDMO NC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000157220032 197171084 /nfs/dbraw/zinc/17/10/84/197171084.db2.gz GZFLZUFREGUDQS-QMMMGPOBSA-N 1 1 315.276 1.503 20 5 DDBDMO NC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000157220032 197171085 /nfs/dbraw/zinc/17/10/85/197171085.db2.gz GZFLZUFREGUDQS-QMMMGPOBSA-N 1 1 315.276 1.503 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000289482743 221009067 /nfs/dbraw/zinc/00/90/67/221009067.db2.gz IKSMEBMMOAPEGN-LLVKDONJSA-N 1 1 315.395 1.602 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289487165 221011669 /nfs/dbraw/zinc/01/16/69/221011669.db2.gz SGSYDSXLJWGPLF-GHMZBOCLSA-N 1 1 317.349 1.947 20 5 DDBDMO C[C@@H](O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451083863 533614750 /nfs/dbraw/zinc/61/47/50/533614750.db2.gz WWDULYIXZDBMHK-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO COc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331053721 286176825 /nfs/dbraw/zinc/17/68/25/286176825.db2.gz JNVHOMPLGILSJB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331053721 286176826 /nfs/dbraw/zinc/17/68/26/286176826.db2.gz JNVHOMPLGILSJB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000076410424 406968251 /nfs/dbraw/zinc/96/82/51/406968251.db2.gz CARPVRNFORYGRH-LBPRGKRZSA-N 1 1 306.366 1.019 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000078572714 407034882 /nfs/dbraw/zinc/03/48/82/407034882.db2.gz GGEGAQUAOXFEJY-NSHDSACASA-N 1 1 313.379 1.215 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000090465491 407168634 /nfs/dbraw/zinc/16/86/34/407168634.db2.gz DLHBHDLOSCFXCP-GHMZBOCLSA-N 1 1 309.322 1.171 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000090465491 407168637 /nfs/dbraw/zinc/16/86/37/407168637.db2.gz DLHBHDLOSCFXCP-GHMZBOCLSA-N 1 1 309.322 1.171 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107696091 407378230 /nfs/dbraw/zinc/37/82/30/407378230.db2.gz FCPBRGCAHFHRQX-ZFWWWQNUSA-N 1 1 324.377 1.693 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)ccc1[N+](=O)[O-] ZINC000126131745 407406359 /nfs/dbraw/zinc/40/63/59/407406359.db2.gz IZKUHTCNYOHYDS-SNVBAGLBSA-N 1 1 307.325 1.948 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270968054 407443440 /nfs/dbraw/zinc/44/34/40/407443440.db2.gz VTLDDFAQAVVHFE-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO COC[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000112990257 407454300 /nfs/dbraw/zinc/45/43/00/407454300.db2.gz DMANGPMUGFJYPN-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000270999656 407460366 /nfs/dbraw/zinc/46/03/66/407460366.db2.gz YSKBSBUVENXMOG-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000270999656 407460372 /nfs/dbraw/zinc/46/03/72/407460372.db2.gz YSKBSBUVENXMOG-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000221691251 407551246 /nfs/dbraw/zinc/55/12/46/407551246.db2.gz KGURSSPIIOIYIP-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000266221134 407533172 /nfs/dbraw/zinc/53/31/72/407533172.db2.gz QNWSYLWHHSNBDB-NSHDSACASA-N 1 1 324.337 1.396 20 5 DDBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000266877782 407659585 /nfs/dbraw/zinc/65/95/85/407659585.db2.gz VADVYLXLBYCYAN-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000266877782 407659588 /nfs/dbraw/zinc/65/95/88/407659588.db2.gz VADVYLXLBYCYAN-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000171261801 407641889 /nfs/dbraw/zinc/64/18/89/407641889.db2.gz HEPBRGGFCJMTPT-OLZOCXBDSA-N 1 1 320.393 1.408 20 5 DDBDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130150762 407657835 /nfs/dbraw/zinc/65/78/35/407657835.db2.gz PWTOXOXDNXDGBV-GJZGRUSLSA-N 1 1 319.365 1.630 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000115443175 407679447 /nfs/dbraw/zinc/67/94/47/407679447.db2.gz RURYAUDFKKENFS-SNVBAGLBSA-N 1 1 324.356 1.730 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000268233459 407961692 /nfs/dbraw/zinc/96/16/92/407961692.db2.gz SPFXCJDDDMBGAL-BXUZGUMPSA-N 1 1 318.377 1.606 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])n1C ZINC000268153690 407916525 /nfs/dbraw/zinc/91/65/25/407916525.db2.gz NBMOGHIYOFXDFR-UHFFFAOYSA-N 1 1 321.312 1.463 20 5 DDBDMO C[NH+]1CCC(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272601268 408002468 /nfs/dbraw/zinc/00/24/68/408002468.db2.gz XKWQMJOJBZCOCD-UHFFFAOYSA-N 1 1 307.350 1.762 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245837972 408075751 /nfs/dbraw/zinc/07/57/51/408075751.db2.gz AWTGRDSSMQMUJK-TUAOUCFPSA-N 1 1 323.397 1.425 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242461 408104963 /nfs/dbraw/zinc/10/49/63/408104963.db2.gz LTJHUTQBLAQSHH-IHRRRGAJSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246258558 408193833 /nfs/dbraw/zinc/19/38/33/408193833.db2.gz KNVDZKVPTDSYKV-BPLDGKMQSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000273317012 408148501 /nfs/dbraw/zinc/14/85/01/408148501.db2.gz JPNBVBLOKNNHTG-TXEJJXNPSA-N 1 1 312.391 1.956 20 5 DDBDMO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000273317012 408148509 /nfs/dbraw/zinc/14/85/09/408148509.db2.gz JPNBVBLOKNNHTG-TXEJJXNPSA-N 1 1 312.391 1.956 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000155565941 408180006 /nfs/dbraw/zinc/18/00/06/408180006.db2.gz PDZJSLYYKMVWFO-UHFFFAOYSA-N 1 1 315.395 1.522 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155572442 408180443 /nfs/dbraw/zinc/18/04/43/408180443.db2.gz BDXZXWQBZSNVKF-UHFFFAOYSA-N 1 1 301.368 1.213 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000246747668 408330496 /nfs/dbraw/zinc/33/04/96/408330496.db2.gz NNIFFYSRNKUJNV-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000246747668 408330499 /nfs/dbraw/zinc/33/04/99/408330499.db2.gz NNIFFYSRNKUJNV-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263834435 408278535 /nfs/dbraw/zinc/27/85/35/408278535.db2.gz ZPXLBEYTPDFFDU-UHFFFAOYSA-N 1 1 323.397 1.352 20 5 DDBDMO CCOC(=O)N[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210067 408310454 /nfs/dbraw/zinc/31/04/54/408310454.db2.gz DWWOYMJFJLXUSE-NSHDSACASA-N 1 1 311.342 1.002 20 5 DDBDMO CCOC(=O)N[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210067 408310458 /nfs/dbraw/zinc/31/04/58/408310458.db2.gz DWWOYMJFJLXUSE-NSHDSACASA-N 1 1 311.342 1.002 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196599 408349266 /nfs/dbraw/zinc/34/92/66/408349266.db2.gz QYLOCRBARMMPDC-TUAOUCFPSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1ccnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000166122655 162165036 /nfs/dbraw/zinc/16/50/36/162165036.db2.gz QOVGUFRSPUSFNY-UHFFFAOYSA-N 1 1 316.365 1.317 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246940338 408373585 /nfs/dbraw/zinc/37/35/85/408373585.db2.gz ZZXFMGHAUDDOJS-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246940338 408373591 /nfs/dbraw/zinc/37/35/91/408373591.db2.gz ZZXFMGHAUDDOJS-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183592269 408449030 /nfs/dbraw/zinc/44/90/30/408449030.db2.gz RINZVZWMBSSBTM-LLVKDONJSA-N 1 1 307.354 1.843 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000247320466 408449976 /nfs/dbraw/zinc/44/99/76/408449976.db2.gz SIUOQMCXZLWAGP-AAEUAGOBSA-N 1 1 318.377 1.733 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080550 408403520 /nfs/dbraw/zinc/40/35/20/408403520.db2.gz HAKDHCBKAAFMLC-STQMWFEESA-N 1 1 307.394 1.790 20 5 DDBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000264422583 408484580 /nfs/dbraw/zinc/48/45/80/408484580.db2.gz RJGMASGNSVJNIF-INIZCTEOSA-N 1 1 304.394 1.811 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000183965032 408519053 /nfs/dbraw/zinc/51/90/53/408519053.db2.gz XKVHFTNAWOIOLE-UHFFFAOYSA-N 1 1 315.757 1.292 20 5 DDBDMO CC1(O)CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000177329158 408581392 /nfs/dbraw/zinc/58/13/92/408581392.db2.gz ZQDVGZBSUZPBKP-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1ccccc1 ZINC000270563180 408581809 /nfs/dbraw/zinc/58/18/09/408581809.db2.gz KWJGGVPOJBTJMF-HNNXBMFYSA-N 1 1 317.345 1.422 20 5 DDBDMO C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680741 408634514 /nfs/dbraw/zinc/63/45/14/408634514.db2.gz UPNOSDPQCLECKZ-SMDDNHRTSA-N 1 1 305.338 1.240 20 5 DDBDMO CC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796376 408715656 /nfs/dbraw/zinc/71/56/56/408715656.db2.gz QNEJPXFNMUPRQG-KBPBESRZSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000177796376 408715663 /nfs/dbraw/zinc/71/56/63/408715663.db2.gz QNEJPXFNMUPRQG-KBPBESRZSA-N 1 1 307.350 1.493 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000276309845 408832773 /nfs/dbraw/zinc/83/27/73/408832773.db2.gz OFYNUDMOKQMMHB-UONOGXRCSA-N 1 1 304.350 1.534 20 5 DDBDMO [NH3+]CC[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286040056 408912023 /nfs/dbraw/zinc/91/20/23/408912023.db2.gz KSSZUPUVLPFLGP-JTQLQIEISA-N 1 1 317.349 1.815 20 5 DDBDMO COC(=O)c1cnc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276603370 408891674 /nfs/dbraw/zinc/89/16/74/408891674.db2.gz RKWAURUKTXANDU-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000277362791 408926408 /nfs/dbraw/zinc/92/64/08/408926408.db2.gz CKBMXQOAIOQJFW-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193657935 163264979 /nfs/dbraw/zinc/26/49/79/163264979.db2.gz NDTFFGFFWRVIDZ-BETUJISGSA-N 1 1 318.377 1.335 20 5 DDBDMO COCC[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000277487377 408950190 /nfs/dbraw/zinc/95/01/90/408950190.db2.gz DETFXUZMTITVRP-LLVKDONJSA-N 1 1 319.365 1.628 20 5 DDBDMO CSCc1cnc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000293216744 409068910 /nfs/dbraw/zinc/06/89/10/409068910.db2.gz JSAFIGMBEGZYSI-UHFFFAOYSA-N 1 1 313.408 1.901 20 5 DDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037450 409055662 /nfs/dbraw/zinc/05/56/62/409055662.db2.gz BZOGZTXUHWQUBM-GDBMZVCRSA-N 1 1 324.377 1.441 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)Cc1ccccc1 ZINC000293143696 409057889 /nfs/dbraw/zinc/05/78/89/409057889.db2.gz BFNMQSCVKOOZNC-CQSZACIVSA-N 1 1 304.350 1.327 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)C1 ZINC000293654771 409155075 /nfs/dbraw/zinc/15/50/75/409155075.db2.gz HGFICTNQUPDVLU-OAHLLOKOSA-N 1 1 322.340 1.484 20 5 DDBDMO C[NH2+]CCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000261757449 163697859 /nfs/dbraw/zinc/69/78/59/163697859.db2.gz PNTSSAWUWIVIJO-UHFFFAOYSA-N 1 1 320.393 1.515 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294090762 409238532 /nfs/dbraw/zinc/23/85/32/409238532.db2.gz KFYKXYSNIQXZJU-HNNXBMFYSA-N 1 1 321.381 1.195 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280316344 409290996 /nfs/dbraw/zinc/29/09/96/409290996.db2.gz QAGXKCHPBMMAFW-HNNXBMFYSA-N 1 1 307.350 1.691 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573620 409363408 /nfs/dbraw/zinc/36/34/08/409363408.db2.gz VRLHBEPQIHYMIO-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573620 409363414 /nfs/dbraw/zinc/36/34/14/409363414.db2.gz VRLHBEPQIHYMIO-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000284899859 409369815 /nfs/dbraw/zinc/36/98/15/409369815.db2.gz HOWHDNOUOACTJY-VHSXEESVSA-N 1 1 323.378 1.213 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408028982 164202539 /nfs/dbraw/zinc/20/25/39/164202539.db2.gz VMODWNOVYOAALR-VXGBXAGGSA-N 1 1 309.370 1.029 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356725579 409552766 /nfs/dbraw/zinc/55/27/66/409552766.db2.gz DVPQKZWTEPMYTC-LBPRGKRZSA-N 1 1 323.397 1.426 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356835256 409647868 /nfs/dbraw/zinc/64/78/68/409647868.db2.gz BLKAMKFRESEIQY-VXGBXAGGSA-N 1 1 307.350 1.525 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000342558957 409722553 /nfs/dbraw/zinc/72/25/53/409722553.db2.gz DSUYZFLCFPZAEQ-GXFFZTMASA-N 1 1 306.366 1.834 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406678 409834156 /nfs/dbraw/zinc/83/41/56/409834156.db2.gz VZSMNDUYQDIFAZ-GXSJLCMTSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406678 409834164 /nfs/dbraw/zinc/83/41/64/409834164.db2.gz VZSMNDUYQDIFAZ-GXSJLCMTSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000354406678 409834170 /nfs/dbraw/zinc/83/41/70/409834170.db2.gz VZSMNDUYQDIFAZ-GXSJLCMTSA-N 1 1 309.370 1.571 20 5 DDBDMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000357035898 409804633 /nfs/dbraw/zinc/80/46/33/409804633.db2.gz JHWWBMXGEAYWCK-TXEJJXNPSA-N 1 1 308.382 1.711 20 5 DDBDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000357035898 409804646 /nfs/dbraw/zinc/80/46/46/409804646.db2.gz JHWWBMXGEAYWCK-TXEJJXNPSA-N 1 1 308.382 1.711 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1C ZINC000297242190 409872052 /nfs/dbraw/zinc/87/20/52/409872052.db2.gz UVHLGAGTDJOVFB-UHFFFAOYSA-N 1 1 315.337 1.883 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357682295 410184864 /nfs/dbraw/zinc/18/48/64/410184864.db2.gz KERITXAMEGWMQK-GXSJLCMTSA-N 1 1 308.338 1.671 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357686994 410185516 /nfs/dbraw/zinc/18/55/16/410185516.db2.gz QVSATNMAJPZSLJ-LLVKDONJSA-N 1 1 321.381 1.621 20 5 DDBDMO CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000347015013 410316225 /nfs/dbraw/zinc/31/62/25/410316225.db2.gz UZWCWBRYIQEHCE-ZDUSSCGKSA-N 1 1 319.361 1.669 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c1 ZINC000351996693 410400405 /nfs/dbraw/zinc/40/04/05/410400405.db2.gz PHPCKWJNSDOLKD-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c1 ZINC000351996693 410400411 /nfs/dbraw/zinc/40/04/11/410400411.db2.gz PHPCKWJNSDOLKD-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCOC1 ZINC000299246226 410580431 /nfs/dbraw/zinc/58/04/31/410580431.db2.gz KLLWCTKJRBVDIQ-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000352195737 410538672 /nfs/dbraw/zinc/53/86/72/410538672.db2.gz TWDUIFNLKKUHEL-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCCOC1 ZINC000352195737 410538677 /nfs/dbraw/zinc/53/86/77/410538677.db2.gz TWDUIFNLKKUHEL-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600205 410815624 /nfs/dbraw/zinc/81/56/24/410815624.db2.gz FQIZJXFWBXMKHV-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600205 410815629 /nfs/dbraw/zinc/81/56/29/410815629.db2.gz FQIZJXFWBXMKHV-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600205 410815637 /nfs/dbraw/zinc/81/56/37/410815637.db2.gz FQIZJXFWBXMKHV-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600205 410815642 /nfs/dbraw/zinc/81/56/42/410815642.db2.gz FQIZJXFWBXMKHV-ZJUUUORDSA-N 1 1 309.370 1.435 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301953349 410836346 /nfs/dbraw/zinc/83/63/46/410836346.db2.gz CRRGJRRINQBJNB-LLVKDONJSA-N 1 1 304.354 1.924 20 5 DDBDMO CC[N@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000302117852 410839906 /nfs/dbraw/zinc/83/99/06/410839906.db2.gz WUYBNHUOARYGID-UHFFFAOYSA-N 1 1 307.350 1.913 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330675665 410869197 /nfs/dbraw/zinc/86/91/97/410869197.db2.gz SOFMGYCPAIBAKL-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)nc2c1 ZINC000344041288 410914285 /nfs/dbraw/zinc/91/42/85/410914285.db2.gz IEIFVKSIBZPONF-NDMJEZRESA-N 1 1 303.318 1.939 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cs1 ZINC000129480178 196052254 /nfs/dbraw/zinc/05/22/54/196052254.db2.gz NAXQNTKGOAVSGW-GFCCVEGCSA-N 1 1 311.407 1.810 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cs1 ZINC000129480178 196052256 /nfs/dbraw/zinc/05/22/56/196052256.db2.gz NAXQNTKGOAVSGW-GFCCVEGCSA-N 1 1 311.407 1.810 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)co2)cc1 ZINC000366434650 418472163 /nfs/dbraw/zinc/47/21/63/418472163.db2.gz LCEPZOZURYAACR-FICVDOATSA-N 1 1 315.329 1.920 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4[C@H](CO)[C@H]4C3)co2)cc1 ZINC000366434650 418472164 /nfs/dbraw/zinc/47/21/64/418472164.db2.gz LCEPZOZURYAACR-FICVDOATSA-N 1 1 315.329 1.920 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366907709 418535210 /nfs/dbraw/zinc/53/52/10/418535210.db2.gz BEPIGPRCFAWMFM-GFCCVEGCSA-N 1 1 311.357 1.622 20 5 DDBDMO CO[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000360997254 418562355 /nfs/dbraw/zinc/56/23/55/418562355.db2.gz FUHRKIWPZCWMME-HUUCEWRRSA-N 1 1 324.377 1.835 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000191633122 222106443 /nfs/dbraw/zinc/10/64/43/222106443.db2.gz TWCQAYSQYPHLMQ-GHMZBOCLSA-N 1 1 309.370 1.366 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414271 418648189 /nfs/dbraw/zinc/64/81/89/418648189.db2.gz ILSFYHKNTIMSRU-RISCZKNCSA-N 1 1 310.350 1.180 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361569344 418680558 /nfs/dbraw/zinc/68/05/58/418680558.db2.gz YDMYTSPGMMIUQO-HNNXBMFYSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361569344 418680560 /nfs/dbraw/zinc/68/05/60/418680560.db2.gz YDMYTSPGMMIUQO-HNNXBMFYSA-N 1 1 320.349 1.039 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000361658075 418697474 /nfs/dbraw/zinc/69/74/74/418697474.db2.gz XEWVWXRPWDWGSL-GWCFXTLKSA-N 1 1 308.334 1.522 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621815 418794296 /nfs/dbraw/zinc/79/42/96/418794296.db2.gz FBMXTYVBVSNCEX-PRULPYPASA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621815 418794297 /nfs/dbraw/zinc/79/42/97/418794297.db2.gz FBMXTYVBVSNCEX-PRULPYPASA-N 1 1 309.391 1.522 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000364621815 418794301 /nfs/dbraw/zinc/79/43/01/418794301.db2.gz FBMXTYVBVSNCEX-PRULPYPASA-N 1 1 309.391 1.522 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000372943699 418914817 /nfs/dbraw/zinc/91/48/17/418914817.db2.gz CFPNLPUTFBOTBO-KGLIPLIRSA-N 1 1 319.361 1.496 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411555766 419343054 /nfs/dbraw/zinc/34/30/54/419343054.db2.gz WWYXCQOXYWRKAI-BYCMXARLSA-N 1 1 303.362 1.766 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425044551 228353734 /nfs/dbraw/zinc/35/37/34/228353734.db2.gz HZDWIOIERJUIHX-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974229 419376221 /nfs/dbraw/zinc/37/62/21/419376221.db2.gz LGIUCRBQQWZHIJ-WDEREUQCSA-N 1 1 310.350 1.815 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418109210 419539067 /nfs/dbraw/zinc/53/90/67/419539067.db2.gz HXOVKGSHVRNCKP-JFOCPDPESA-N 1 1 319.405 1.995 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000421709142 419692387 /nfs/dbraw/zinc/69/23/87/419692387.db2.gz CRKWUVXYONEQRB-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO Cc1c(CC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421711535 419699844 /nfs/dbraw/zinc/69/98/44/419699844.db2.gz OPCJFYNAAXPLTL-AWEZNQCLSA-N 1 1 305.378 1.998 20 5 DDBDMO CNc1nc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000422032230 419817870 /nfs/dbraw/zinc/81/78/70/419817870.db2.gz FCOASEBGMXDZJM-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425553547 420417910 /nfs/dbraw/zinc/41/79/10/420417910.db2.gz UQQXAYIVEFIZGK-NSHDSACASA-N 1 1 303.322 1.711 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459511919 420834638 /nfs/dbraw/zinc/83/46/38/420834638.db2.gz YMOXRNOFXYZTSN-UGFHNGPFSA-N 1 1 319.361 1.554 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459511919 420834639 /nfs/dbraw/zinc/83/46/39/420834639.db2.gz YMOXRNOFXYZTSN-UGFHNGPFSA-N 1 1 319.361 1.554 20 5 DDBDMO CCOC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000459706770 420852300 /nfs/dbraw/zinc/85/23/00/420852300.db2.gz JEAHJLPCSPMOSU-TZMCWYRMSA-N 1 1 312.370 1.043 20 5 DDBDMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1[N+](=O)[O-] ZINC000449652296 421045936 /nfs/dbraw/zinc/04/59/36/421045936.db2.gz XZBJLXYLXYDYJZ-OLZOCXBDSA-N 1 1 319.361 1.799 20 5 DDBDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1[N+](=O)[O-] ZINC000449652296 421045938 /nfs/dbraw/zinc/04/59/38/421045938.db2.gz XZBJLXYLXYDYJZ-OLZOCXBDSA-N 1 1 319.361 1.799 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[N@@H+]1CCCO ZINC000449388183 421002110 /nfs/dbraw/zinc/00/21/10/421002110.db2.gz OKTJBKFWSJBDPO-INIZCTEOSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[N@H+]1CCCO ZINC000449388183 421002111 /nfs/dbraw/zinc/00/21/11/421002111.db2.gz OKTJBKFWSJBDPO-INIZCTEOSA-N 1 1 307.394 1.840 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000449696251 421061744 /nfs/dbraw/zinc/06/17/44/421061744.db2.gz KCALNIBYFNQFIW-HNNXBMFYSA-N 1 1 310.350 1.434 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450442791 421198410 /nfs/dbraw/zinc/19/84/10/421198410.db2.gz YOSLQIFGEUMMFE-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548386066 421431352 /nfs/dbraw/zinc/43/13/52/421431352.db2.gz YGYPHONTTFSNJH-GHMZBOCLSA-N 1 1 321.381 1.422 20 5 DDBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000563053546 421446605 /nfs/dbraw/zinc/44/66/05/421446605.db2.gz ZAPJSTGAPBZCPQ-LLVKDONJSA-N 1 1 313.379 1.140 20 5 DDBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000563053546 421446608 /nfs/dbraw/zinc/44/66/08/421446608.db2.gz ZAPJSTGAPBZCPQ-LLVKDONJSA-N 1 1 313.379 1.140 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000553556999 421620895 /nfs/dbraw/zinc/62/08/95/421620895.db2.gz QQTHRDVLZRLAFE-LBPRGKRZSA-N 1 1 319.361 1.526 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531630389 421639755 /nfs/dbraw/zinc/63/97/55/421639755.db2.gz POOIWYJSKHMULE-UHFFFAOYSA-N 1 1 306.366 1.936 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000554599989 421654203 /nfs/dbraw/zinc/65/42/03/421654203.db2.gz PUMHFNUTXAJVQW-NSHDSACASA-N 1 1 309.370 1.275 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000574982697 422227897 /nfs/dbraw/zinc/22/78/97/422227897.db2.gz HVIOKZCMDZKOCE-AWEZNQCLSA-N 1 1 309.366 1.148 20 5 DDBDMO NC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000600712337 422412334 /nfs/dbraw/zinc/41/23/34/422412334.db2.gz WWNDUXYYXMNSHK-STQMWFEESA-N 1 1 323.397 1.373 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000108562518 270966947 /nfs/dbraw/zinc/96/69/47/270966947.db2.gz UQLZLLIEQYMZGI-CQSZACIVSA-N 1 1 320.393 1.778 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000345913770 272363388 /nfs/dbraw/zinc/36/33/88/272363388.db2.gz WANITMJPBZLHSB-WDEREUQCSA-N 1 1 309.370 1.041 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345995707 272385259 /nfs/dbraw/zinc/38/52/59/272385259.db2.gz UKJCQTJZEKFKLP-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000346185030 272435017 /nfs/dbraw/zinc/43/50/17/272435017.db2.gz GNBHNVMYNZQDTE-CHWSQXEVSA-N 1 1 308.382 1.171 20 5 DDBDMO CC(=O)c1ccc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000301202234 273496427 /nfs/dbraw/zinc/49/64/27/273496427.db2.gz WYABLOZBLSPULM-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276597980 274271961 /nfs/dbraw/zinc/27/19/61/274271961.db2.gz KEWIEPNPZRIBAO-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000278773940 275033597 /nfs/dbraw/zinc/03/35/97/275033597.db2.gz VDLDPPNDANTFIS-UHFFFAOYSA-N 1 1 308.729 1.693 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000266464781 281194108 /nfs/dbraw/zinc/19/41/08/281194108.db2.gz ANTVJYIWWLQXLU-WDEREUQCSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464781 281194109 /nfs/dbraw/zinc/19/41/09/281194109.db2.gz ANTVJYIWWLQXLU-WDEREUQCSA-N 1 1 307.354 1.325 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000266464781 281194111 /nfs/dbraw/zinc/19/41/11/281194111.db2.gz ANTVJYIWWLQXLU-WDEREUQCSA-N 1 1 307.354 1.325 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354201872 298361410 /nfs/dbraw/zinc/36/14/10/298361410.db2.gz YTBFUOYMUASTKP-NSHDSACASA-N 1 1 309.370 1.558 20 5 DDBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931671 300181650 /nfs/dbraw/zinc/18/16/50/300181650.db2.gz RWJLHNYEROKIGY-NHYWBVRUSA-N 1 1 303.362 1.677 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364454396 300399376 /nfs/dbraw/zinc/39/93/76/300399376.db2.gz KPTBXFIEPGQNKN-ARFHVFGLSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000364454396 300399379 /nfs/dbraw/zinc/39/93/79/300399379.db2.gz KPTBXFIEPGQNKN-ARFHVFGLSA-N 1 1 317.389 1.823 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000364454396 300399382 /nfs/dbraw/zinc/39/93/82/300399382.db2.gz KPTBXFIEPGQNKN-ARFHVFGLSA-N 1 1 317.389 1.823 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368595230 301061543 /nfs/dbraw/zinc/06/15/43/301061543.db2.gz SIERBSLNASWEIP-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO Cc1nc(N2CCC[N@@H+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000370531471 301358063 /nfs/dbraw/zinc/35/80/63/301358063.db2.gz PPPXQZFSDKHVFD-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO Cc1nc(N2CCC[N@H+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000370531471 301358065 /nfs/dbraw/zinc/35/80/65/301358065.db2.gz PPPXQZFSDKHVFD-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000375987996 302019738 /nfs/dbraw/zinc/01/97/38/302019738.db2.gz YRXKEIXKGWPANK-OAHLLOKOSA-N 1 1 321.377 1.316 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000375987996 302019740 /nfs/dbraw/zinc/01/97/40/302019740.db2.gz YRXKEIXKGWPANK-OAHLLOKOSA-N 1 1 321.377 1.316 20 5 DDBDMO COCC(C)(C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429274588 302387725 /nfs/dbraw/zinc/38/77/25/302387725.db2.gz SUHPMQZQQOBGRC-ZDUSSCGKSA-N 1 1 312.366 1.691 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000532134267 303276211 /nfs/dbraw/zinc/27/62/11/303276211.db2.gz VLVVJCLGMXDMNM-VXGBXAGGSA-N 1 1 306.366 1.840 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000538709535 303389159 /nfs/dbraw/zinc/38/91/59/303389159.db2.gz LQYMPADZIKMSRL-JTQLQIEISA-N 1 1 321.333 1.395 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367142503 307087063 /nfs/dbraw/zinc/08/70/63/307087063.db2.gz XKUSYUFGUVJORP-QWHCGFSZSA-N 1 1 307.350 1.115 20 5 DDBDMO O=C1OCC[C@H]1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004143 307114347 /nfs/dbraw/zinc/11/43/47/307114347.db2.gz YNPZAOVNUMJLEU-NEPJUHHUSA-N 1 1 308.338 1.381 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000374050601 307200933 /nfs/dbraw/zinc/20/09/33/307200933.db2.gz LAKQLEVAURMBGN-OAHLLOKOSA-N 1 1 319.361 1.593 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000374050601 307200934 /nfs/dbraw/zinc/20/09/34/307200934.db2.gz LAKQLEVAURMBGN-OAHLLOKOSA-N 1 1 319.361 1.593 20 5 DDBDMO C[C@H]1COCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327761 307205861 /nfs/dbraw/zinc/20/58/61/307205861.db2.gz IORIEYDAQSQEDX-DOMZBBRYSA-N 1 1 319.361 1.668 20 5 DDBDMO C[C@H]1COCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000374327761 307205862 /nfs/dbraw/zinc/20/58/62/307205862.db2.gz IORIEYDAQSQEDX-DOMZBBRYSA-N 1 1 319.361 1.668 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000374490955 307209100 /nfs/dbraw/zinc/20/91/00/307209100.db2.gz XWLYQRBPCMUFOL-GHMZBOCLSA-N 1 1 312.395 1.477 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488376 307289235 /nfs/dbraw/zinc/28/92/35/307289235.db2.gz AUPCEZWOSJWTOI-XZDPQHSOSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378488376 307289236 /nfs/dbraw/zinc/28/92/36/307289236.db2.gz AUPCEZWOSJWTOI-XZDPQHSOSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378488376 307289237 /nfs/dbraw/zinc/28/92/37/307289237.db2.gz AUPCEZWOSJWTOI-XZDPQHSOSA-N 1 1 317.389 1.678 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000582530249 337105471 /nfs/dbraw/zinc/10/54/71/337105471.db2.gz MEGHEPXOYKGIJW-SNVBAGLBSA-N 1 1 307.354 1.103 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000582540756 337106855 /nfs/dbraw/zinc/10/68/55/337106855.db2.gz DEXFVEHDGNOSAL-UHFFFAOYSA-N 1 1 324.381 1.116 20 5 DDBDMO CN(C)c1[nH+]cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1C ZINC000583259354 337292564 /nfs/dbraw/zinc/29/25/64/337292564.db2.gz PNKIKKCFFYFSCA-UHFFFAOYSA-N 1 1 315.377 1.953 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372370479 483933260 /nfs/dbraw/zinc/93/32/60/483933260.db2.gz UBSAKUIZRVSRHK-ZIAGYGMSSA-N 1 1 303.322 1.167 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000452391875 534318049 /nfs/dbraw/zinc/31/80/49/534318049.db2.gz QQDXVDVQXUWGKZ-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccnc1 ZINC000182887136 525519929 /nfs/dbraw/zinc/51/99/29/525519929.db2.gz WQJWQCDDPWROEW-SNVBAGLBSA-N 1 1 300.318 1.940 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1COC1 ZINC000451284266 528399859 /nfs/dbraw/zinc/39/98/59/528399859.db2.gz IIMLKDYLIUGITB-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO CCOCC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444657233 528870088 /nfs/dbraw/zinc/87/00/88/528870088.db2.gz KBVXXSFWOBKWDQ-OCCSQVGLSA-N 1 1 324.381 1.264 20 5 DDBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000330930554 529098899 /nfs/dbraw/zinc/09/88/99/529098899.db2.gz PRPHRYSDOXCDLX-WCQYABFASA-N 1 1 323.397 1.371 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797415229 700008394 /nfs/dbraw/zinc/00/83/94/700008394.db2.gz SSYYQQVFUSXVGU-OAHLLOKOSA-N 1 1 317.349 1.360 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000050443031 696231951 /nfs/dbraw/zinc/23/19/51/696231951.db2.gz YBPCQTAXAQTDND-JTQLQIEISA-N 1 1 304.755 1.525 20 5 DDBDMO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000154869945 696938479 /nfs/dbraw/zinc/93/84/79/696938479.db2.gz IYYQVUFEOAUZJA-GFCCVEGCSA-N 1 1 310.354 1.804 20 5 DDBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000154869945 696938482 /nfs/dbraw/zinc/93/84/82/696938482.db2.gz IYYQVUFEOAUZJA-GFCCVEGCSA-N 1 1 310.354 1.804 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](n4cncn4)C3)c2c1 ZINC000776778466 698139337 /nfs/dbraw/zinc/13/93/37/698139337.db2.gz UUCIZJMBQGTZFD-CYBMUJFWSA-N 1 1 313.321 1.441 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@@H](n4cncn4)C3)c2c1 ZINC000776778466 698139339 /nfs/dbraw/zinc/13/93/39/698139339.db2.gz UUCIZJMBQGTZFD-CYBMUJFWSA-N 1 1 313.321 1.441 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637351 699820677 /nfs/dbraw/zinc/82/06/77/699820677.db2.gz WINGXHOGAYGTTE-GHMZBOCLSA-N 1 1 321.333 1.696 20 5 DDBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794637351 699820680 /nfs/dbraw/zinc/82/06/80/699820680.db2.gz WINGXHOGAYGTTE-GHMZBOCLSA-N 1 1 321.333 1.696 20 5 DDBDMO CC[N@@H+](CCc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000744389666 699947530 /nfs/dbraw/zinc/94/75/30/699947530.db2.gz JYSBOQMZANVFFS-HNNXBMFYSA-N 1 1 319.365 1.112 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801552130 700320012 /nfs/dbraw/zinc/32/00/12/700320012.db2.gz ZJUTUNPUVVKBJF-GFCCVEGCSA-N 1 1 300.330 1.952 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801552130 700320016 /nfs/dbraw/zinc/32/00/16/700320016.db2.gz ZJUTUNPUVVKBJF-GFCCVEGCSA-N 1 1 300.330 1.952 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758285998 700696616 /nfs/dbraw/zinc/69/66/16/700696616.db2.gz RBFCQABBVYGADP-MNOVXSKESA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000758285998 700696618 /nfs/dbraw/zinc/69/66/18/700696618.db2.gz RBFCQABBVYGADP-MNOVXSKESA-N 1 1 309.341 2.000 20 5 DDBDMO Cc1c(NC(=O)CCN2CC[N@@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074561 700838927 /nfs/dbraw/zinc/83/89/27/700838927.db2.gz CRUHNLGPUIYJJU-LBPRGKRZSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074561 700838930 /nfs/dbraw/zinc/83/89/30/700838930.db2.gz CRUHNLGPUIYJJU-LBPRGKRZSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761074561 700838933 /nfs/dbraw/zinc/83/89/33/700838933.db2.gz CRUHNLGPUIYJJU-LBPRGKRZSA-N 1 1 320.393 1.868 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000804381102 701184332 /nfs/dbraw/zinc/18/43/32/701184332.db2.gz KDKFQEMZKZUGIB-SNVBAGLBSA-N 1 1 322.321 1.669 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000804381102 701184335 /nfs/dbraw/zinc/18/43/35/701184335.db2.gz KDKFQEMZKZUGIB-SNVBAGLBSA-N 1 1 322.321 1.669 20 5 DDBDMO C[C@@H]1OCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000867970144 701862952 /nfs/dbraw/zinc/86/29/52/701862952.db2.gz WWQQIXYKRLNUPJ-PGUXBMHVSA-N 1 1 307.350 1.405 20 5 DDBDMO C[C@@H]1CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)[C@H]1C ZINC000840058942 701944330 /nfs/dbraw/zinc/94/43/30/701944330.db2.gz YINZDZRBVSSARF-NEPJUHHUSA-N 1 1 321.381 1.500 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812331406 702156024 /nfs/dbraw/zinc/15/60/24/702156024.db2.gz GEWCUHIOLPLCAS-OLZOCXBDSA-N 1 1 303.362 1.927 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000879364958 706662724 /nfs/dbraw/zinc/66/27/24/706662724.db2.gz ZJJFBQJMNYSSEN-DZGCQCFKSA-N 1 1 324.377 1.559 20 5 DDBDMO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000842160835 702678280 /nfs/dbraw/zinc/67/82/80/702678280.db2.gz AJMTWPHLFCHMIR-NEPJUHHUSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845483308 703162799 /nfs/dbraw/zinc/16/27/99/703162799.db2.gz LUFDYIOJIROUFJ-VIFPVBQESA-N 1 1 317.748 1.890 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852462034 704054075 /nfs/dbraw/zinc/05/40/75/704054075.db2.gz DVBMLBUWUZIDOQ-OAGGEKHMSA-N 1 1 306.362 1.987 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000820272081 704250325 /nfs/dbraw/zinc/25/03/25/704250325.db2.gz JGIOFBOYOXQOLY-ARLBYUKCSA-N 1 1 315.373 1.861 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565545 704271959 /nfs/dbraw/zinc/27/19/59/704271959.db2.gz HBZNGGOPEKKTDR-WFASDCNBSA-N 1 1 302.334 1.870 20 5 DDBDMO O=[N+]([O-])c1c(F)cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853966061 704341815 /nfs/dbraw/zinc/34/18/15/704341815.db2.gz OJKQAYIGDGTFDD-LBPRGKRZSA-N 1 1 309.341 1.769 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859888455 705030792 /nfs/dbraw/zinc/03/07/92/705030792.db2.gz CTVTWRWJGBRGTR-CQHMPISHSA-N 1 1 324.402 1.614 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825378901 705657914 /nfs/dbraw/zinc/65/79/14/705657914.db2.gz IXCDWRQYSZWIDU-BXUZGUMPSA-N 1 1 307.350 1.086 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000825516808 705685162 /nfs/dbraw/zinc/68/51/62/705685162.db2.gz BZNKDTUXRGIELF-JTQLQIEISA-N 1 1 324.356 1.624 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000862794086 705799645 /nfs/dbraw/zinc/79/96/45/705799645.db2.gz WHCSEKRSFCUHTG-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826632670 705830584 /nfs/dbraw/zinc/83/05/84/705830584.db2.gz KJCIIHZLGNBSCP-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321189 705974767 /nfs/dbraw/zinc/97/47/67/705974767.db2.gz USKDPSJOXSECDK-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321189 705974769 /nfs/dbraw/zinc/97/47/69/705974769.db2.gz USKDPSJOXSECDK-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827321189 705974771 /nfs/dbraw/zinc/97/47/71/705974771.db2.gz USKDPSJOXSECDK-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)o2)cc1 ZINC000877748900 706198021 /nfs/dbraw/zinc/19/80/21/706198021.db2.gz MAMJUNYPHFAXLM-CABCVRRESA-N 1 1 318.329 1.782 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C[C@@H]21 ZINC000828987849 706269242 /nfs/dbraw/zinc/26/92/42/706269242.db2.gz MILATVXCDXSPJQ-ABAIWWIYSA-N 1 1 316.361 1.620 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879963213 706836515 /nfs/dbraw/zinc/83/65/15/706836515.db2.gz HFZJRASPROHBAM-GFCCVEGCSA-N 1 1 309.366 1.239 20 5 DDBDMO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000880588428 707029361 /nfs/dbraw/zinc/02/93/61/707029361.db2.gz VKFNAUSSHQMVJX-AWEZNQCLSA-N 1 1 309.366 1.805 20 5 DDBDMO CN1CCCC[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265670 707355387 /nfs/dbraw/zinc/35/53/87/707355387.db2.gz VALIDUBPBXBUIY-LSDHHAIUSA-N 1 1 321.377 1.571 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265670 707355388 /nfs/dbraw/zinc/35/53/88/707355388.db2.gz VALIDUBPBXBUIY-LSDHHAIUSA-N 1 1 321.377 1.571 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(CO)(CO)CC3)c2c1 ZINC000872677273 707554561 /nfs/dbraw/zinc/55/45/61/707554561.db2.gz LJMJTNDYWOBXTQ-UHFFFAOYSA-N 1 1 317.345 1.714 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000882545525 707689935 /nfs/dbraw/zinc/68/99/35/707689935.db2.gz IRGPGBGCLFYQDU-NWDGAFQWSA-N 1 1 305.334 1.053 20 5 DDBDMO C[N@@H+](CCNc1c(F)cccc1[N+](=O)[O-])CCOCCO ZINC000882951865 707867817 /nfs/dbraw/zinc/86/78/17/707867817.db2.gz YLMGDUATTKSAOJ-UHFFFAOYSA-N 1 1 301.318 1.087 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000897220528 708258647 /nfs/dbraw/zinc/25/86/47/708258647.db2.gz XCDXIFYUDIIXLQ-HUUCEWRRSA-N 1 1 309.341 1.769 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897221125 708259320 /nfs/dbraw/zinc/25/93/20/708259320.db2.gz HMEGXJYBBURCKT-QWHCGFSZSA-N 1 1 306.366 1.212 20 5 DDBDMO Cc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897222600 708259990 /nfs/dbraw/zinc/25/99/90/708259990.db2.gz WCXCMIPNHGEWCN-KGLIPLIRSA-N 1 1 305.378 1.939 20 5 DDBDMO COc1nn(C)cc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000898027900 708522353 /nfs/dbraw/zinc/52/23/53/708522353.db2.gz CQOJXDQZFIMCEK-UHFFFAOYSA-N 1 1 306.322 1.635 20 5 DDBDMO CN(C)C(=O)CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886120604 708701803 /nfs/dbraw/zinc/70/18/03/708701803.db2.gz JFMATFGDRACTNE-UHFFFAOYSA-N 1 1 306.366 1.680 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886157758 708707619 /nfs/dbraw/zinc/70/76/19/708707619.db2.gz KFGJKHKYDKQAQJ-LBPRGKRZSA-N 1 1 308.382 1.267 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000912612519 713050270 /nfs/dbraw/zinc/05/02/70/713050270.db2.gz RTHOHRHENVZOGH-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC000886690625 708814999 /nfs/dbraw/zinc/81/49/99/708814999.db2.gz ZCZLNZFXNWVCCP-LLVKDONJSA-N 1 1 302.338 1.498 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC000886690625 708815001 /nfs/dbraw/zinc/81/50/01/708815001.db2.gz ZCZLNZFXNWVCCP-LLVKDONJSA-N 1 1 302.338 1.498 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000887934705 709170642 /nfs/dbraw/zinc/17/06/42/709170642.db2.gz RIIMWUNMHUKSCD-BLLLJJGKSA-N 1 1 319.361 1.627 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000900267537 709512662 /nfs/dbraw/zinc/51/26/62/709512662.db2.gz HQYHBQJVYCXDMH-PSOPSSQASA-N 1 1 307.350 1.227 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000890082150 709740447 /nfs/dbraw/zinc/74/04/47/709740447.db2.gz RSEFMSSHZXYRCB-UHFFFAOYSA-N 1 1 321.377 1.822 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000892984676 710536664 /nfs/dbraw/zinc/53/66/64/710536664.db2.gz FIRKGUYRMJMOEG-SNVBAGLBSA-N 1 1 303.322 1.726 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000928453737 713204239 /nfs/dbraw/zinc/20/42/39/713204239.db2.gz PVXJLFAKZKTQIB-GXSJLCMTSA-N 1 1 321.333 1.188 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000928455746 713204389 /nfs/dbraw/zinc/20/43/89/713204389.db2.gz UMMYINBGMWZOOQ-MFKMUULPSA-N 1 1 306.366 1.483 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000902418425 710747554 /nfs/dbraw/zinc/74/75/54/710747554.db2.gz LQZSZYHCRBKKEE-LBPRGKRZSA-N 1 1 318.333 1.787 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000902418425 710747557 /nfs/dbraw/zinc/74/75/57/710747557.db2.gz LQZSZYHCRBKKEE-LBPRGKRZSA-N 1 1 318.333 1.787 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000913537190 713249009 /nfs/dbraw/zinc/24/90/09/713249009.db2.gz BEDZHJBYPGYZFT-TXEJJXNPSA-N 1 1 314.345 1.995 20 5 DDBDMO O=c1[nH]ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895570436 711545587 /nfs/dbraw/zinc/54/55/87/711545587.db2.gz SYKVXOBFCDZVIF-ONGXEEELSA-N 1 1 310.379 1.687 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895709031 711584831 /nfs/dbraw/zinc/58/48/31/711584831.db2.gz XWXIMQXMKJXXKP-VOKGJARPSA-N 1 1 306.318 1.218 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895709031 711584834 /nfs/dbraw/zinc/58/48/34/711584834.db2.gz XWXIMQXMKJXXKP-VOKGJARPSA-N 1 1 306.318 1.218 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000895772278 711602453 /nfs/dbraw/zinc/60/24/53/711602453.db2.gz ZYXTUVJTQIPHRH-LLVKDONJSA-N 1 1 306.322 1.667 20 5 DDBDMO C[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000905740082 712135682 /nfs/dbraw/zinc/13/56/82/712135682.db2.gz QOKGLQJXUDJCHC-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000905740082 712135683 /nfs/dbraw/zinc/13/56/83/712135683.db2.gz QOKGLQJXUDJCHC-GFCCVEGCSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000930916134 713958165 /nfs/dbraw/zinc/95/81/65/713958165.db2.gz NJSYFAHHVAZXLF-LALPHHSUSA-N 1 1 321.377 1.948 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000922164753 713980141 /nfs/dbraw/zinc/98/01/41/713980141.db2.gz RHRWMDDCHAYKRJ-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCn2cc[nH+]c21 ZINC000931521725 714118468 /nfs/dbraw/zinc/11/84/68/714118468.db2.gz OCZYFJPWNFYPKC-NSHDSACASA-N 1 1 304.306 1.051 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934255650 714776424 /nfs/dbraw/zinc/77/64/24/714776424.db2.gz UYKMPXXWQJCOLF-HOTGVXAUSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(F)c1 ZINC000934257579 714777097 /nfs/dbraw/zinc/77/70/97/714777097.db2.gz AMTVHBOVCKWFIH-CVEARBPZSA-N 1 1 323.368 1.765 20 5 DDBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164664954 719386261 /nfs/dbraw/zinc/38/62/61/719386261.db2.gz DCKYTSDPZIORCL-MNOVXSKESA-N 1 1 312.757 1.471 20 5 DDBDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022064128 734369156 /nfs/dbraw/zinc/36/91/56/734369156.db2.gz XKHQPPYEWWEVAF-AYRXBEOTSA-N 1 1 319.361 1.097 20 5 DDBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)oc1C ZINC001125696986 735254298 /nfs/dbraw/zinc/25/42/98/735254298.db2.gz XSWFNJQWJRHRHL-UHFFFAOYSA-N 1 1 321.337 1.058 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000197045253 751357401 /nfs/dbraw/zinc/35/74/01/751357401.db2.gz ZFTLUCAFHTWABO-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC(C)(F)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025649149 736808624 /nfs/dbraw/zinc/80/86/24/736808624.db2.gz DHQPXSWVYUFBJS-IMRBUKKESA-N 1 1 321.352 1.889 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029305295 740551358 /nfs/dbraw/zinc/55/13/58/740551358.db2.gz WZNXKQQAYMIZCN-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029305295 740551361 /nfs/dbraw/zinc/55/13/61/740551361.db2.gz WZNXKQQAYMIZCN-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029305295 740551365 /nfs/dbraw/zinc/55/13/65/740551365.db2.gz WZNXKQQAYMIZCN-LXTVHRRPSA-N 1 1 307.394 1.517 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936687 742843354 /nfs/dbraw/zinc/84/33/54/742843354.db2.gz QNVWCHKUDWDVRO-HUUCEWRRSA-N 1 1 303.362 1.435 20 5 DDBDMO O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662271 747336353 /nfs/dbraw/zinc/33/63/53/747336353.db2.gz ZWCNLFKCGHSZQU-HUUCEWRRSA-N 1 1 309.410 1.670 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997767614 751267447 /nfs/dbraw/zinc/26/74/47/751267447.db2.gz IODYWHMTNPTDJB-HUUCEWRRSA-N 1 1 318.377 1.075 20 5 DDBDMO CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169052515 762208018 /nfs/dbraw/zinc/20/80/18/762208018.db2.gz GSFVCUQYRVUDRY-MELADBBJSA-N 1 1 312.414 1.604 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001086363087 761493072 /nfs/dbraw/zinc/49/30/72/761493072.db2.gz AVCAZONRFHSKGR-FPQZTECRSA-N 1 1 324.406 1.101 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001050516691 763694158 /nfs/dbraw/zinc/69/41/58/763694158.db2.gz GSWDXHAFCHASRI-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328985 766253656 /nfs/dbraw/zinc/25/36/56/766253656.db2.gz MRXPYYZXZXWRNB-RTXFEEFZSA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328985 766253664 /nfs/dbraw/zinc/25/36/64/766253664.db2.gz MRXPYYZXZXWRNB-RTXFEEFZSA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334308 766256431 /nfs/dbraw/zinc/25/64/31/766256431.db2.gz CAJBUYDAPHSDCN-DETPVDSQSA-N 1 1 324.377 1.210 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334310 766256510 /nfs/dbraw/zinc/25/65/10/766256510.db2.gz CAJBUYDAPHSDCN-GHJWDPDVSA-N 1 1 324.377 1.210 20 5 DDBDMO CCOC(=O)C1=C(Nc2ncc([N+](=O)[O-])cc2OC)CC[NH2+]C1 ZINC001170513689 767729737 /nfs/dbraw/zinc/72/97/37/767729737.db2.gz VRFXCNAOYHIKMA-UHFFFAOYSA-N 1 1 322.321 1.221 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001133015245 769406791 /nfs/dbraw/zinc/40/67/91/769406791.db2.gz YGRAFQXCQHWJFD-JTQLQIEISA-N 1 1 322.321 1.635 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001133015245 769406800 /nfs/dbraw/zinc/40/68/00/769406800.db2.gz YGRAFQXCQHWJFD-JTQLQIEISA-N 1 1 322.321 1.635 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCN(C)c1ccccc1[N+](=O)[O-] ZINC001100240565 772012457 /nfs/dbraw/zinc/01/24/57/772012457.db2.gz ABQTVBGWWLLYRL-UHFFFAOYSA-N 1 1 317.349 1.352 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N(C)CCNc1ncccc1[N+](=O)[O-] ZINC001101634892 777331559 /nfs/dbraw/zinc/33/15/59/777331559.db2.gz SFRKAHZKKLYBHB-UHFFFAOYSA-N 1 1 318.337 1.065 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001116230210 780486896 /nfs/dbraw/zinc/48/68/96/780486896.db2.gz URPUVMHRCBKOMS-MNOVXSKESA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1nc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC001119342777 781413510 /nfs/dbraw/zinc/41/35/10/781413510.db2.gz LAYZBZHCMZPXDL-NSHDSACASA-N 1 1 321.381 1.383 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001119413170 781442492 /nfs/dbraw/zinc/44/24/92/781442492.db2.gz PBJHAYAPGGBKSI-HNNXBMFYSA-N 1 1 302.334 1.622 20 5 DDBDMO Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cc1 ZINC001267326084 837830787 /nfs/dbraw/zinc/83/07/87/837830787.db2.gz PDVRSBMTLXLLPH-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC001267326084 837830799 /nfs/dbraw/zinc/83/07/99/837830799.db2.gz PDVRSBMTLXLLPH-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC001267326084 837830812 /nfs/dbraw/zinc/83/08/12/837830812.db2.gz PDVRSBMTLXLLPH-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001156591812 863169575 /nfs/dbraw/zinc/16/95/75/863169575.db2.gz ZGPLBJDQPAXIET-CYBMUJFWSA-N 1 1 306.366 1.707 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001157259092 863689241 /nfs/dbraw/zinc/68/92/41/863689241.db2.gz CQCIZUODGUGMID-GWCFXTLKSA-N 1 1 320.349 1.307 20 5 DDBDMO CSc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cc1[N+](=O)[O-] ZINC001157594558 863963971 /nfs/dbraw/zinc/96/39/71/863963971.db2.gz KFKGPCNHVJHMCA-UHFFFAOYSA-N 1 1 323.374 1.130 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@@H+](C(C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001158494593 864688841 /nfs/dbraw/zinc/68/88/41/864688841.db2.gz KUCSDRPBTUZJES-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001332401691 865813964 /nfs/dbraw/zinc/81/39/64/865813964.db2.gz KHYRDRSRDPNIIW-HUUCEWRRSA-N 1 1 318.377 1.945 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001319941421 866394466 /nfs/dbraw/zinc/39/44/66/866394466.db2.gz CFOQXEUBDQZACI-LBPRGKRZSA-N 1 1 305.334 1.611 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001319941421 866394468 /nfs/dbraw/zinc/39/44/68/866394468.db2.gz CFOQXEUBDQZACI-LBPRGKRZSA-N 1 1 305.334 1.611 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCC3)C2)n1 ZINC001161183198 866429867 /nfs/dbraw/zinc/42/98/67/866429867.db2.gz QMNIDFUKPFFITJ-JTQLQIEISA-N 1 1 320.349 1.815 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001335422074 868286451 /nfs/dbraw/zinc/28/64/51/868286451.db2.gz QPNBIYDLVCBQAI-DZGCQCFKSA-N 1 1 318.377 1.483 20 5 DDBDMO COc1nc(NCC[C@H]2CCC[N@@H+](C)C2)nc(C)c1[N+](=O)[O-] ZINC001165261935 869475010 /nfs/dbraw/zinc/47/50/10/869475010.db2.gz TVCQPBZZCNHDJN-LLVKDONJSA-N 1 1 309.370 1.846 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC001226294324 882332267 /nfs/dbraw/zinc/33/22/67/882332267.db2.gz HOUIHUNQXMIEEB-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC001226294324 882332282 /nfs/dbraw/zinc/33/22/82/882332282.db2.gz HOUIHUNQXMIEEB-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO COc1cccc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084766 869791334 /nfs/dbraw/zinc/79/13/34/869791334.db2.gz SFRITYOSQOMIAC-WCQYABFASA-N 1 1 308.382 1.650 20 5 DDBDMO Cc1[nH]c(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C)[nH+]1 ZINC001303890899 871164351 /nfs/dbraw/zinc/16/43/51/871164351.db2.gz BNIXCWRXNGYAFC-UHFFFAOYSA-N 1 1 318.289 1.593 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001304002277 871177527 /nfs/dbraw/zinc/17/75/27/871177527.db2.gz OTCHIDZTELYPJE-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001304002277 871177541 /nfs/dbraw/zinc/17/75/41/871177541.db2.gz OTCHIDZTELYPJE-ZDUSSCGKSA-N 1 1 320.393 1.979 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001340735209 871317126 /nfs/dbraw/zinc/31/71/26/871317126.db2.gz JWSUNMMMAIWADB-QMTHXVAHSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001340735209 871317157 /nfs/dbraw/zinc/31/71/57/871317157.db2.gz JWSUNMMMAIWADB-QMTHXVAHSA-N 1 1 322.365 1.085 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001317448733 871337282 /nfs/dbraw/zinc/33/72/82/871337282.db2.gz YPWLKNWJPGGGJI-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001317448733 871337304 /nfs/dbraw/zinc/33/73/04/871337304.db2.gz YPWLKNWJPGGGJI-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001317448733 871337329 /nfs/dbraw/zinc/33/73/29/871337329.db2.gz YPWLKNWJPGGGJI-ZIAGYGMSSA-N 1 1 311.426 1.916 20 5 DDBDMO CCNC(=O)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC001205966971 871964444 /nfs/dbraw/zinc/96/44/44/871964444.db2.gz GQYNCMNEJCYJDG-AWEZNQCLSA-N 1 1 320.349 1.986 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC(N)=O)CC1 ZINC001319044039 872411561 /nfs/dbraw/zinc/41/15/61/872411561.db2.gz OPDDAWLFUGWJPX-UHFFFAOYSA-N 1 1 323.349 1.070 20 5 DDBDMO O=C([C@H]1[NH2+]CCc2occc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001353395010 877296671 /nfs/dbraw/zinc/29/66/71/877296671.db2.gz WMJWTPDOMJESDI-HNNXBMFYSA-N 1 1 313.313 1.917 20 5 DDBDMO CC(=O)Nc1cc(O[C@@H]2CC[N@@H+](C)C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128985 883838047 /nfs/dbraw/zinc/83/80/47/883838047.db2.gz GTYUDQKWDPQRGL-LLVKDONJSA-N 1 1 321.333 1.839 20 5 DDBDMO CC(=O)Nc1cc(O[C@@H]2CC[N@H+](C)C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128985 883838064 /nfs/dbraw/zinc/83/80/64/883838064.db2.gz GTYUDQKWDPQRGL-LLVKDONJSA-N 1 1 321.333 1.839 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233708756 887243995 /nfs/dbraw/zinc/24/39/95/887243995.db2.gz ZTLAALKDTIWGBS-LLVKDONJSA-N 1 1 311.294 1.603 20 5 DDBDMO CCCOCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235137572 888431705 /nfs/dbraw/zinc/43/17/05/888431705.db2.gz OOSMUQMEGIJWSF-UHFFFAOYSA-N 1 1 323.393 1.960 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(N3CC[C@H](F)C3)C1)C2 ZINC001254603504 896528561 /nfs/dbraw/zinc/52/85/61/896528561.db2.gz NVMOEQDMTCQGRQ-ZFWWWQNUSA-N 1 1 305.353 1.790 20 5 DDBDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608191 896530373 /nfs/dbraw/zinc/53/03/73/896530373.db2.gz PGQNOMMONJWUSZ-DJIMGWMZSA-N 1 1 301.390 1.946 20 5 DDBDMO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608191 896530385 /nfs/dbraw/zinc/53/03/85/896530385.db2.gz PGQNOMMONJWUSZ-DJIMGWMZSA-N 1 1 301.390 1.946 20 5 DDBDMO Cc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cccc1[N+](=O)[O-] ZINC001263980534 900854347 /nfs/dbraw/zinc/85/43/47/900854347.db2.gz YCHIWWFHESJOCV-KWCYVHTRSA-N 1 1 303.362 1.973 20 5 DDBDMO O=C(NCCC[N@@H+](Cc1cncs1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135795 903004860 /nfs/dbraw/zinc/00/48/60/903004860.db2.gz XWRGONRSUIDZRA-CHWSQXEVSA-N 1 1 324.406 1.279 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305762032 231043904 /nfs/dbraw/zinc/04/39/04/231043904.db2.gz MLEXKCSERCMKIA-WBIUFABUSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305762032 231043907 /nfs/dbraw/zinc/04/39/07/231043907.db2.gz MLEXKCSERCMKIA-WBIUFABUSA-N 1 1 321.377 1.933 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334531 231070753 /nfs/dbraw/zinc/07/07/53/231070753.db2.gz BVFUGYKBVKEADN-SCRDCRAPSA-N 1 1 308.382 1.844 20 5 DDBDMO C[N@@H+](CCCCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000278728459 214359493 /nfs/dbraw/zinc/35/94/93/214359493.db2.gz AQCOEQJYWBOFAF-CQSZACIVSA-N 1 1 312.366 1.429 20 5 DDBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451924396 231233988 /nfs/dbraw/zinc/23/39/88/231233988.db2.gz DOHMEUJJUVRXDI-HNNXBMFYSA-N 1 1 310.350 1.434 20 5 DDBDMO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249585272 282177931 /nfs/dbraw/zinc/17/79/31/282177931.db2.gz SSHADDZWKUMIAL-SMDDNHRTSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249585272 282177932 /nfs/dbraw/zinc/17/79/32/282177932.db2.gz SSHADDZWKUMIAL-SMDDNHRTSA-N 1 1 307.350 1.559 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261676 529480600 /nfs/dbraw/zinc/48/06/00/529480600.db2.gz WDGFJIVZOJCWDU-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000279281724 214761895 /nfs/dbraw/zinc/76/18/95/214761895.db2.gz WWTQROIHFVCQPC-QWHCGFSZSA-N 1 1 322.340 1.673 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)C3CCOCC3)nc2c1 ZINC000614923170 362080344 /nfs/dbraw/zinc/08/03/44/362080344.db2.gz MALCLZRAOGYPSQ-UHFFFAOYSA-N 1 1 321.333 1.709 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413244220 529801106 /nfs/dbraw/zinc/80/11/06/529801106.db2.gz ZFBPQJSEUZTPPB-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO CCOC1CC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000286721963 219129579 /nfs/dbraw/zinc/12/95/79/219129579.db2.gz GIBLGZJIRVTOHA-ROKHWSDSSA-N 1 1 324.377 1.834 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292391682 282355493 /nfs/dbraw/zinc/35/54/93/282355493.db2.gz UBIXIYLJJPBOGV-ZDUSSCGKSA-N 1 1 307.379 1.836 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000358357921 299129840 /nfs/dbraw/zinc/12/98/40/299129840.db2.gz SGASAAWLOGLQLG-NSHDSACASA-N 1 1 311.386 1.336 20 5 DDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000279646286 215029992 /nfs/dbraw/zinc/02/99/92/215029992.db2.gz BEEXUOKDORHDDC-HNNXBMFYSA-N 1 1 318.377 1.750 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000191828457 186260180 /nfs/dbraw/zinc/26/01/80/186260180.db2.gz GTCNCVSDGGZSTE-LBPRGKRZSA-N 1 1 323.397 1.758 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043346618 352365924 /nfs/dbraw/zinc/36/59/24/352365924.db2.gz NRDFZMGRESHPTJ-UHFFFAOYSA-N 1 1 324.381 1.993 20 5 DDBDMO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000047295364 352489447 /nfs/dbraw/zinc/48/94/47/352489447.db2.gz BQBZVMXICACNEW-KBPBESRZSA-N 1 1 309.410 1.957 20 5 DDBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047668829 352507414 /nfs/dbraw/zinc/50/74/14/352507414.db2.gz JNUHKPGCRAUDOV-UHFFFAOYSA-N 1 1 324.362 1.468 20 5 DDBDMO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000053506612 352659515 /nfs/dbraw/zinc/65/95/15/352659515.db2.gz DXIBHCWGSSQEQO-CVEARBPZSA-N 1 1 317.389 1.741 20 5 DDBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCOCC1 ZINC000055473091 352735114 /nfs/dbraw/zinc/73/51/14/352735114.db2.gz XEDKJTQTXJAQAS-ZDUSSCGKSA-N 1 1 310.354 1.010 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000173711137 198243047 /nfs/dbraw/zinc/24/30/47/198243047.db2.gz ASJDOCCJCMMNCH-CYBMUJFWSA-N 1 1 320.393 1.489 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000174331972 198320911 /nfs/dbraw/zinc/32/09/11/198320911.db2.gz SIZUWVKBBFPGAA-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074741736 353327755 /nfs/dbraw/zinc/32/77/55/353327755.db2.gz AFSOFAUEUNBHOT-ZDUSSCGKSA-N 1 1 321.425 1.984 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000174807831 198387953 /nfs/dbraw/zinc/38/79/53/198387953.db2.gz GXBRESUHRTYOJO-UHFFFAOYSA-N 1 1 302.338 1.009 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000089265339 353763725 /nfs/dbraw/zinc/76/37/25/353763725.db2.gz CEKLYPUVAVSBFH-LLVKDONJSA-N 1 1 308.338 1.063 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000089265339 353763728 /nfs/dbraw/zinc/76/37/28/353763728.db2.gz CEKLYPUVAVSBFH-LLVKDONJSA-N 1 1 308.338 1.063 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000156606839 354220635 /nfs/dbraw/zinc/22/06/35/354220635.db2.gz PNDOJNKNPZWOPM-ZDUSSCGKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000156606839 354220638 /nfs/dbraw/zinc/22/06/38/354220638.db2.gz PNDOJNKNPZWOPM-ZDUSSCGKSA-N 1 1 323.349 1.245 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587571045 354883070 /nfs/dbraw/zinc/88/30/70/354883070.db2.gz CDDSLFMXVCPECU-UHFFFAOYSA-N 1 1 322.409 1.980 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000346297768 283062594 /nfs/dbraw/zinc/06/25/94/283062594.db2.gz PJGCKEOKZKFGMJ-HNNXBMFYSA-N 1 1 307.325 1.902 20 5 DDBDMO CCCC[N@@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494425 354996130 /nfs/dbraw/zinc/99/61/30/354996130.db2.gz KBCNFLJEDOIVMW-UHFFFAOYSA-N 1 1 310.350 1.976 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C1 ZINC000590442268 355096397 /nfs/dbraw/zinc/09/63/97/355096397.db2.gz FCGFGKYRIZNOIE-SKDRFNHKSA-N 1 1 319.317 1.100 20 5 DDBDMO C[C@@H](O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056163 355239773 /nfs/dbraw/zinc/23/97/73/355239773.db2.gz CXRWCONQMQRKHM-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](O)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056163 355239774 /nfs/dbraw/zinc/23/97/74/355239774.db2.gz CXRWCONQMQRKHM-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346452230 283106267 /nfs/dbraw/zinc/10/62/67/283106267.db2.gz KFSVKKFTGXZOSB-ZDUSSCGKSA-N 1 1 305.334 1.280 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346452230 283106271 /nfs/dbraw/zinc/10/62/71/283106271.db2.gz KFSVKKFTGXZOSB-ZDUSSCGKSA-N 1 1 305.334 1.280 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)CCO ZINC000593108187 355800986 /nfs/dbraw/zinc/80/09/86/355800986.db2.gz URBKETARKJQCOP-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)CCO ZINC000593108187 355800989 /nfs/dbraw/zinc/80/09/89/355800989.db2.gz URBKETARKJQCOP-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593502977 355905490 /nfs/dbraw/zinc/90/54/90/355905490.db2.gz GURWTBXPGXXLOR-CYBMUJFWSA-N 1 1 314.345 1.398 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593502977 355905491 /nfs/dbraw/zinc/90/54/91/355905491.db2.gz GURWTBXPGXXLOR-CYBMUJFWSA-N 1 1 314.345 1.398 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC([N@H+]4CC[C@@H](O)C4)C3)ccc2c1 ZINC000593506727 355907441 /nfs/dbraw/zinc/90/74/41/355907441.db2.gz AAJOCGYGBCHEFH-CQSZACIVSA-N 1 1 314.345 1.398 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593573237 355930538 /nfs/dbraw/zinc/93/05/38/355930538.db2.gz VWKNNMAZCWBHRY-QWRGUYRKSA-N 1 1 309.341 1.827 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766573 356643641 /nfs/dbraw/zinc/64/36/41/356643641.db2.gz PTLZZEXXRHWWMI-ZWNOBZJWSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766573 356643644 /nfs/dbraw/zinc/64/36/44/356643644.db2.gz PTLZZEXXRHWWMI-ZWNOBZJWSA-N 1 1 323.349 1.387 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755614 356636900 /nfs/dbraw/zinc/63/69/00/356636900.db2.gz BJOQBJIHWVLDEH-ZUZCIYMTSA-N 1 1 302.334 1.939 20 5 DDBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755614 356636904 /nfs/dbraw/zinc/63/69/04/356636904.db2.gz BJOQBJIHWVLDEH-ZUZCIYMTSA-N 1 1 302.334 1.939 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000618237911 363537589 /nfs/dbraw/zinc/53/75/89/363537589.db2.gz CHPPZNQIDYMNAY-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000618237911 363537590 /nfs/dbraw/zinc/53/75/90/363537590.db2.gz CHPPZNQIDYMNAY-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595808563 356659684 /nfs/dbraw/zinc/65/96/84/356659684.db2.gz DAXFMQWRJDWYMS-STQMWFEESA-N 1 1 301.346 1.826 20 5 DDBDMO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595808563 356659685 /nfs/dbraw/zinc/65/96/85/356659685.db2.gz DAXFMQWRJDWYMS-STQMWFEESA-N 1 1 301.346 1.826 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000595833483 356670549 /nfs/dbraw/zinc/67/05/49/356670549.db2.gz KRFPOMGYSWCCQN-UHFFFAOYSA-N 1 1 306.318 1.604 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC3(COC3)C2)c1 ZINC000595833483 356670551 /nfs/dbraw/zinc/67/05/51/356670551.db2.gz KRFPOMGYSWCCQN-UHFFFAOYSA-N 1 1 306.318 1.604 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595826597 356665905 /nfs/dbraw/zinc/66/59/05/356665905.db2.gz AWPAMPVMNJOSFM-KCQAQPDRSA-N 1 1 322.361 1.303 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595828453 356667131 /nfs/dbraw/zinc/66/71/31/356667131.db2.gz FASTVKPTQAMWQI-QWHCGFSZSA-N 1 1 305.334 1.162 20 5 DDBDMO COCCC[N@@H+](C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596140327 356788837 /nfs/dbraw/zinc/78/88/37/356788837.db2.gz GJLZFGCBCDSKFC-UHFFFAOYSA-N 1 1 302.762 1.445 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000596537543 356910313 /nfs/dbraw/zinc/91/03/13/356910313.db2.gz HLZGFFADSCEVTG-CQSZACIVSA-N 1 1 320.393 1.642 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854985 357359117 /nfs/dbraw/zinc/35/91/17/357359117.db2.gz OKXKFGMGCKTLCM-GFCCVEGCSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1[nH+]ccn1CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000347762302 283274931 /nfs/dbraw/zinc/27/49/31/283274931.db2.gz ZREGDQJXWJZNBQ-UHFFFAOYSA-N 1 1 315.289 1.617 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000598648473 357669184 /nfs/dbraw/zinc/66/91/84/357669184.db2.gz RYJWXIMRZIMVHH-GHMZBOCLSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1CO ZINC000598648473 357669189 /nfs/dbraw/zinc/66/91/89/357669189.db2.gz RYJWXIMRZIMVHH-GHMZBOCLSA-N 1 1 304.350 1.921 20 5 DDBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648773 357669867 /nfs/dbraw/zinc/66/98/67/357669867.db2.gz HGEAZGKGYOHXAO-OLZOCXBDSA-N 1 1 321.377 1.508 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598648773 357669870 /nfs/dbraw/zinc/66/98/70/357669870.db2.gz HGEAZGKGYOHXAO-OLZOCXBDSA-N 1 1 321.377 1.508 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598559782 357632058 /nfs/dbraw/zinc/63/20/58/357632058.db2.gz ZJOCTPWOESIWRB-NSHDSACASA-N 1 1 307.354 1.170 20 5 DDBDMO C[C@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[NH2+]1 ZINC000599104015 357816672 /nfs/dbraw/zinc/81/66/72/357816672.db2.gz KWXRKXMUODMBIB-DTWKUNHWSA-N 1 1 317.342 1.153 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@@H](O)C2)ccc2cnccc21 ZINC000599175416 357840058 /nfs/dbraw/zinc/84/00/58/357840058.db2.gz ATFBQXVQPDLBNZ-GFCCVEGCSA-N 1 1 302.334 1.622 20 5 DDBDMO Cn1cc(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000599311723 357888062 /nfs/dbraw/zinc/88/80/62/357888062.db2.gz JXSJARQMDRGRTN-UHFFFAOYSA-N 1 1 301.350 1.930 20 5 DDBDMO CC(C)(C)CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599396627 357922056 /nfs/dbraw/zinc/92/20/56/357922056.db2.gz SLSBKOFZOMOCKX-UHFFFAOYSA-N 1 1 323.397 1.591 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC(F)(F)CC1 ZINC000599551760 357971333 /nfs/dbraw/zinc/97/13/33/357971333.db2.gz AYUNRAURXIBCBY-UHFFFAOYSA-N 1 1 301.293 1.878 20 5 DDBDMO O=c1ccc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000599642454 358003834 /nfs/dbraw/zinc/00/38/34/358003834.db2.gz UPNUXWDPYZCZRK-NSHDSACASA-N 1 1 304.310 1.124 20 5 DDBDMO O=c1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000599642454 358003836 /nfs/dbraw/zinc/00/38/36/358003836.db2.gz UPNUXWDPYZCZRK-NSHDSACASA-N 1 1 304.310 1.124 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000599659044 358012694 /nfs/dbraw/zinc/01/26/94/358012694.db2.gz OAXNDBFFFKBLNB-MCIONIFRSA-N 1 1 322.365 1.455 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000600316296 358194922 /nfs/dbraw/zinc/19/49/22/358194922.db2.gz ZEGKZKQJOWBFFO-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600469596 358232338 /nfs/dbraw/zinc/23/23/38/358232338.db2.gz CQUWBUNZCMNDQL-CYBMUJFWSA-N 1 1 321.381 1.315 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)C3CCOCC3)c2c1 ZINC000601158689 358427204 /nfs/dbraw/zinc/42/72/04/358427204.db2.gz AUHZAMZIQLKVJI-MRXNPFEDSA-N 1 1 317.345 1.764 20 5 DDBDMO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979248 358764061 /nfs/dbraw/zinc/76/40/61/358764061.db2.gz BODVGRNJWAMGAQ-LBPRGKRZSA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000601979248 358764063 /nfs/dbraw/zinc/76/40/63/358764063.db2.gz BODVGRNJWAMGAQ-LBPRGKRZSA-N 1 1 302.334 1.256 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545509 359037314 /nfs/dbraw/zinc/03/73/14/359037314.db2.gz DOGLWDAISKYDCI-LLVKDONJSA-N 1 1 320.349 1.546 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545509 359037318 /nfs/dbraw/zinc/03/73/18/359037318.db2.gz DOGLWDAISKYDCI-LLVKDONJSA-N 1 1 320.349 1.546 20 5 DDBDMO C[C@]12C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC000602723838 359150261 /nfs/dbraw/zinc/15/02/61/359150261.db2.gz HPZGOCSCMMDSBB-IYBDPMFKSA-N 1 1 317.345 1.122 20 5 DDBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602770895 359178073 /nfs/dbraw/zinc/17/80/73/359178073.db2.gz ZQTXUZYMLRJDHL-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000602904260 359283947 /nfs/dbraw/zinc/28/39/47/359283947.db2.gz VRUXAUOCZMLZIR-ZDUSSCGKSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000602960196 359322940 /nfs/dbraw/zinc/32/29/40/359322940.db2.gz KKSFRMKPBKXQSU-NSHDSACASA-N 1 1 307.354 1.278 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000603144132 359433099 /nfs/dbraw/zinc/43/30/99/359433099.db2.gz WLSCCRRUEASLDW-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000603144132 359433103 /nfs/dbraw/zinc/43/31/03/359433103.db2.gz WLSCCRRUEASLDW-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000603144151 359433602 /nfs/dbraw/zinc/43/36/02/359433602.db2.gz WZWWQRVIGVBATK-ZDUSSCGKSA-N 1 1 306.366 1.792 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000603144151 359433605 /nfs/dbraw/zinc/43/36/05/359433605.db2.gz WZWWQRVIGVBATK-ZDUSSCGKSA-N 1 1 306.366 1.792 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000603403026 359618566 /nfs/dbraw/zinc/61/85/66/359618566.db2.gz QRWIAHMHTSLZBM-LLVKDONJSA-N 1 1 322.365 1.385 20 5 DDBDMO Cn1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431401 359636034 /nfs/dbraw/zinc/63/60/34/359636034.db2.gz WTRWYUQXPPVKMW-IACUBPJLSA-N 1 1 323.397 1.047 20 5 DDBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187592627 200132362 /nfs/dbraw/zinc/13/23/62/200132362.db2.gz FZHXHBZMTOXQAF-MRXNPFEDSA-N 1 1 321.377 1.678 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc1 ZINC000610489100 360449552 /nfs/dbraw/zinc/44/95/52/360449552.db2.gz AYZDOHUFMDZDOW-AWEZNQCLSA-N 1 1 306.366 1.681 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610900769 360568124 /nfs/dbraw/zinc/56/81/24/360568124.db2.gz KOCOVPYYJXNYGU-RNCFNFMXSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610900769 360568130 /nfs/dbraw/zinc/56/81/30/360568130.db2.gz KOCOVPYYJXNYGU-RNCFNFMXSA-N 1 1 311.313 1.183 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000610844766 360551340 /nfs/dbraw/zinc/55/13/40/360551340.db2.gz VTNOXJLAQYQMQW-UHFFFAOYSA-N 1 1 312.333 1.767 20 5 DDBDMO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000359029747 299311481 /nfs/dbraw/zinc/31/14/81/299311481.db2.gz SOWIHTXJBXYJCS-RYUDHWBXSA-N 1 1 321.381 1.796 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO1 ZINC000611253852 360680991 /nfs/dbraw/zinc/68/09/91/360680991.db2.gz XNSYMTMFXAMKRQ-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCCO1 ZINC000611253852 360680995 /nfs/dbraw/zinc/68/09/95/360680995.db2.gz XNSYMTMFXAMKRQ-GFCCVEGCSA-N 1 1 308.334 1.977 20 5 DDBDMO COC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271425 360685298 /nfs/dbraw/zinc/68/52/98/360685298.db2.gz GJZJSTUQHPOAAH-LLVKDONJSA-N 1 1 308.334 1.834 20 5 DDBDMO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611555697 360757559 /nfs/dbraw/zinc/75/75/59/360757559.db2.gz URFYBBXRJVYCFJ-GFCCVEGCSA-N 1 1 307.350 1.903 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000611560960 360760311 /nfs/dbraw/zinc/76/03/11/360760311.db2.gz VLLQXUPYMMJTGS-CYBMUJFWSA-N 1 1 304.350 1.778 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561474 360760791 /nfs/dbraw/zinc/76/07/91/360760791.db2.gz JKYVDYALLWVJPW-WDEREUQCSA-N 1 1 308.334 1.569 20 5 DDBDMO CCO[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000612030392 360894632 /nfs/dbraw/zinc/89/46/32/360894632.db2.gz UMSDEWJTKNQMKR-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[N@@H+](CCN(C)c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193539728 201070625 /nfs/dbraw/zinc/07/06/25/201070625.db2.gz GLHFCXKHPPJZSA-TXEJJXNPSA-N 1 1 308.382 1.722 20 5 DDBDMO C[C@@H]1C[N@H+](CCN(C)c2cc(N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193539728 201070628 /nfs/dbraw/zinc/07/06/28/201070628.db2.gz GLHFCXKHPPJZSA-TXEJJXNPSA-N 1 1 308.382 1.722 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193625051 201090486 /nfs/dbraw/zinc/09/04/86/201090486.db2.gz PJAFRRFBIPBKPI-OKILXGFUSA-N 1 1 305.378 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000292916558 223308007 /nfs/dbraw/zinc/30/80/07/223308007.db2.gz HXIFUZHPBRIBDE-OAHLLOKOSA-N 1 1 317.349 1.516 20 5 DDBDMO Cc1c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000275013219 212073407 /nfs/dbraw/zinc/07/34/07/212073407.db2.gz RSBSEKUAVZVLFT-UHFFFAOYSA-N 1 1 300.318 1.545 20 5 DDBDMO Cc1c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000275013219 212073408 /nfs/dbraw/zinc/07/34/08/212073408.db2.gz RSBSEKUAVZVLFT-UHFFFAOYSA-N 1 1 300.318 1.545 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cn1cccn1 ZINC000282557775 217087395 /nfs/dbraw/zinc/08/73/95/217087395.db2.gz YACNZTLJNMTOCI-OAHLLOKOSA-N 1 1 304.350 1.327 20 5 DDBDMO Cc1cnc(NC2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000266230571 205202714 /nfs/dbraw/zinc/20/27/14/205202714.db2.gz UGGAGOMEDGPVDP-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000128618517 248282416 /nfs/dbraw/zinc/28/24/16/248282416.db2.gz NEWDSKQJKAIIQK-UHFFFAOYSA-N 1 1 303.362 1.834 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000340407407 251051898 /nfs/dbraw/zinc/05/18/98/251051898.db2.gz KSMBDZAHCOCBFD-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](C)O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340792999 251214952 /nfs/dbraw/zinc/21/49/52/251214952.db2.gz RSKKZYYRHIROAK-TZMCWYRMSA-N 1 1 312.366 1.426 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341062319 251362407 /nfs/dbraw/zinc/36/24/07/251362407.db2.gz PTDMHUDCRINCOH-TXEJJXNPSA-N 1 1 323.397 1.479 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352404118 285027907 /nfs/dbraw/zinc/02/79/07/285027907.db2.gz CGCLMCGKIYZDIR-JQWIXIFHSA-N 1 1 307.350 1.689 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000288744058 220385421 /nfs/dbraw/zinc/38/54/21/220385421.db2.gz PPLXEHOWDKCPIE-UHFFFAOYSA-N 1 1 314.411 1.270 20 5 DDBDMO CN(CCCNC(=O)c1csc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000288744058 220385425 /nfs/dbraw/zinc/38/54/25/220385425.db2.gz PPLXEHOWDKCPIE-UHFFFAOYSA-N 1 1 314.411 1.270 20 5 DDBDMO CCC[C@]1(CO)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000288754319 220393996 /nfs/dbraw/zinc/39/39/96/220393996.db2.gz IGOBWFDBXGGZND-HNNXBMFYSA-N 1 1 309.366 1.241 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000157558919 197197273 /nfs/dbraw/zinc/19/72/73/197197273.db2.gz TUGRHVFTBLTSOW-UHFFFAOYSA-N 1 1 309.366 1.678 20 5 DDBDMO C[C@H](CCO)[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353517110 285780187 /nfs/dbraw/zinc/78/01/87/285780187.db2.gz HWKBFRDCOHXWKP-BXUZGUMPSA-N 1 1 304.350 1.778 20 5 DDBDMO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000569121936 304337870 /nfs/dbraw/zinc/33/78/70/304337870.db2.gz APGVJMOLRVBMGB-LLVKDONJSA-N 1 1 314.292 1.316 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284896884 286382930 /nfs/dbraw/zinc/38/29/30/286382930.db2.gz HHRAINCVHLNRLZ-GJZGRUSLSA-N 1 1 307.350 1.513 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069744287 406765012 /nfs/dbraw/zinc/76/50/12/406765012.db2.gz OGPPXIYQBQUKMQ-GFCCVEGCSA-N 1 1 323.349 1.372 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000081573399 407077574 /nfs/dbraw/zinc/07/75/74/407077574.db2.gz GWEXASAPDQAIKV-KCXAZCMYSA-N 1 1 316.361 1.845 20 5 DDBDMO CCC[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090548986 407169203 /nfs/dbraw/zinc/16/92/03/407169203.db2.gz GRABVJZIMWMDMU-UHFFFAOYSA-N 1 1 308.382 1.174 20 5 DDBDMO CC[NH+]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000057827652 407217341 /nfs/dbraw/zinc/21/73/41/407217341.db2.gz VQAJYDJGFIBBBR-UHFFFAOYSA-N 1 1 317.349 1.782 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000107694963 407377895 /nfs/dbraw/zinc/37/78/95/407377895.db2.gz DUOFPMUULPFVTK-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO CCOCC[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000107680446 407378533 /nfs/dbraw/zinc/37/85/33/407378533.db2.gz IGDNSSBUYJVEOZ-UHFFFAOYSA-N 1 1 309.366 1.916 20 5 DDBDMO CCOCC[N@@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000107680446 407378535 /nfs/dbraw/zinc/37/85/35/407378535.db2.gz IGDNSSBUYJVEOZ-UHFFFAOYSA-N 1 1 309.366 1.916 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000124861086 407372010 /nfs/dbraw/zinc/37/20/10/407372010.db2.gz BAPWVLVMJVBGOC-OAHLLOKOSA-N 1 1 317.349 1.212 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000107894127 407381045 /nfs/dbraw/zinc/38/10/45/407381045.db2.gz YKPMVPRUJSFGPU-LBPRGKRZSA-N 1 1 320.393 1.732 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)c1[nH]nc(CCC)c1[N+](=O)[O-] ZINC000112401144 407428137 /nfs/dbraw/zinc/42/81/37/407428137.db2.gz QQZHLJPQQFKRNZ-UHFFFAOYSA-N 1 1 311.386 1.732 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000185592444 407457732 /nfs/dbraw/zinc/45/77/32/407457732.db2.gz BBHFTWPBBIMRIZ-LLVKDONJSA-N 1 1 321.381 1.422 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178632977 407520603 /nfs/dbraw/zinc/52/06/03/407520603.db2.gz OTVMHRMIFUDWKR-QWHCGFSZSA-N 1 1 318.377 1.702 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266709482 407608872 /nfs/dbraw/zinc/60/88/72/407608872.db2.gz DFPSPAYLUUVTHR-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266709482 407608879 /nfs/dbraw/zinc/60/88/79/407608879.db2.gz DFPSPAYLUUVTHR-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171199289 407628628 /nfs/dbraw/zinc/62/86/28/407628628.db2.gz WPBRHQNSJOCWDS-GFCCVEGCSA-N 1 1 324.381 1.533 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000186755908 407766033 /nfs/dbraw/zinc/76/60/33/407766033.db2.gz HKYPRQOCVOWYLG-LLVKDONJSA-N 1 1 321.381 1.566 20 5 DDBDMO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000153332337 407802703 /nfs/dbraw/zinc/80/27/03/407802703.db2.gz BJVRMUCRGCVZOH-NSHDSACASA-N 1 1 317.340 1.453 20 5 DDBDMO CC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000153332337 407802708 /nfs/dbraw/zinc/80/27/08/407802708.db2.gz BJVRMUCRGCVZOH-NSHDSACASA-N 1 1 317.340 1.453 20 5 DDBDMO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000153721150 407888037 /nfs/dbraw/zinc/88/80/37/407888037.db2.gz CGXSTGQGPRJLKX-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187394393 407851127 /nfs/dbraw/zinc/85/11/27/407851127.db2.gz VDXXBHKNNKMMFG-AAEUAGOBSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187394393 407851132 /nfs/dbraw/zinc/85/11/32/407851132.db2.gz VDXXBHKNNKMMFG-AAEUAGOBSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158911 407920319 /nfs/dbraw/zinc/92/03/19/407920319.db2.gz HNJFNEJZLORCAO-UFBFGSQYSA-N 1 1 322.340 1.529 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245638994 408032308 /nfs/dbraw/zinc/03/23/08/408032308.db2.gz ARJHYFJUWAIJNK-AXFHLTTASA-N 1 1 309.370 1.414 20 5 DDBDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245638994 408032316 /nfs/dbraw/zinc/03/23/16/408032316.db2.gz ARJHYFJUWAIJNK-AXFHLTTASA-N 1 1 309.370 1.414 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245638994 408032321 /nfs/dbraw/zinc/03/23/21/408032321.db2.gz ARJHYFJUWAIJNK-AXFHLTTASA-N 1 1 309.370 1.414 20 5 DDBDMO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272738697 408012331 /nfs/dbraw/zinc/01/23/31/408012331.db2.gz CLEHEUDGEADIMX-JTQLQIEISA-N 1 1 304.350 1.557 20 5 DDBDMO CC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189682945 408080116 /nfs/dbraw/zinc/08/01/16/408080116.db2.gz INNOPVBTPTZUAO-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189682945 408080120 /nfs/dbraw/zinc/08/01/20/408080120.db2.gz INNOPVBTPTZUAO-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155525853 408176946 /nfs/dbraw/zinc/17/69/46/408176946.db2.gz SUENZZMPOSULBG-UKRRQHHQSA-N 1 1 319.361 1.695 20 5 DDBDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273572936 408251304 /nfs/dbraw/zinc/25/13/04/408251304.db2.gz DMZVKHCBNHDWEH-GXTWGEPZSA-N 1 1 323.397 1.934 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190364282 408228450 /nfs/dbraw/zinc/22/84/50/408228450.db2.gz NHKDPQYNPIALBG-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000190364282 408228460 /nfs/dbraw/zinc/22/84/60/408228460.db2.gz NHKDPQYNPIALBG-RISCZKNCSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269333257 408274531 /nfs/dbraw/zinc/27/45/31/408274531.db2.gz AUCGKSRMPUCEEX-WDEREUQCSA-N 1 1 323.397 1.900 20 5 DDBDMO O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134916888 162090625 /nfs/dbraw/zinc/09/06/25/162090625.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 1 1 319.409 1.740 20 5 DDBDMO Cc1nc(N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274526599 408437306 /nfs/dbraw/zinc/43/73/06/408437306.db2.gz XUQOYQFZNHZADF-LBPRGKRZSA-N 1 1 307.398 1.736 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000191789296 408493137 /nfs/dbraw/zinc/49/31/37/408493137.db2.gz NABKWVDFGJGSJG-GFCCVEGCSA-N 1 1 323.397 1.661 20 5 DDBDMO CCC[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248070142 408530357 /nfs/dbraw/zinc/53/03/57/408530357.db2.gz QFYKMKQBPCUQHZ-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000248070142 408530361 /nfs/dbraw/zinc/53/03/61/408530361.db2.gz QFYKMKQBPCUQHZ-ZBFHGGJFSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248344809 408550876 /nfs/dbraw/zinc/55/08/76/408550876.db2.gz MASKDINFEUFIKL-BONVTDFDSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000248344809 408550879 /nfs/dbraw/zinc/55/08/79/408550879.db2.gz MASKDINFEUFIKL-BONVTDFDSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc(N2CC[NH+](CCCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000270577916 408587956 /nfs/dbraw/zinc/58/79/56/408587956.db2.gz RDFPWTRJOCYWLR-UHFFFAOYSA-N 1 1 313.329 1.247 20 5 DDBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000184453465 408620512 /nfs/dbraw/zinc/62/05/12/408620512.db2.gz XTUUMZBHAFCUBC-CYBMUJFWSA-N 1 1 324.381 1.845 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000193246965 408704890 /nfs/dbraw/zinc/70/48/90/408704890.db2.gz PMOPKSVWCQBKJE-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249733598 408760469 /nfs/dbraw/zinc/76/04/69/408760469.db2.gz CLDIVELLORBZQE-MNOVXSKESA-N 1 1 323.397 1.487 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)CC ZINC000290825381 408839042 /nfs/dbraw/zinc/83/90/42/408839042.db2.gz PBCZREVIBVJNAO-UHFFFAOYSA-N 1 1 322.365 1.164 20 5 DDBDMO CO[C@@H](C)C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285747579 408855446 /nfs/dbraw/zinc/85/54/46/408855446.db2.gz QRRGCOODICEDML-NSHDSACASA-N 1 1 307.350 1.451 20 5 DDBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285747579 408855449 /nfs/dbraw/zinc/85/54/49/408855449.db2.gz QRRGCOODICEDML-NSHDSACASA-N 1 1 307.350 1.451 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285767963 408859875 /nfs/dbraw/zinc/85/98/75/408859875.db2.gz ZWVCYQSYRKDWIE-NSHDSACASA-N 1 1 322.287 1.571 20 5 DDBDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276583946 408887836 /nfs/dbraw/zinc/88/78/36/408887836.db2.gz PAMMEWDSICUION-MBNYWOFBSA-N 1 1 320.345 1.530 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291749670 408916480 /nfs/dbraw/zinc/91/64/80/408916480.db2.gz KLEZNGPASRVKMM-DGCLKSJQSA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291749670 408916483 /nfs/dbraw/zinc/91/64/83/408916483.db2.gz KLEZNGPASRVKMM-DGCLKSJQSA-N 1 1 316.304 1.578 20 5 DDBDMO Cc1nc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286175876 408937321 /nfs/dbraw/zinc/93/73/21/408937321.db2.gz ADLRXUBZKVNDQH-AAEUAGOBSA-N 1 1 306.366 1.598 20 5 DDBDMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336545 409026892 /nfs/dbraw/zinc/02/68/92/409026892.db2.gz BCPJIDISWIIAHN-CABCVRRESA-N 1 1 309.341 1.952 20 5 DDBDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293248249 409075132 /nfs/dbraw/zinc/07/51/32/409075132.db2.gz BKFAUHWOPHATJM-CYBMUJFWSA-N 1 1 321.425 1.465 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084308 409084218 /nfs/dbraw/zinc/08/42/18/409084218.db2.gz KXSMVAUZRHYZNT-GFCCVEGCSA-N 1 1 307.325 1.931 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283084308 409084223 /nfs/dbraw/zinc/08/42/23/409084223.db2.gz KXSMVAUZRHYZNT-GFCCVEGCSA-N 1 1 307.325 1.931 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287785752 409093683 /nfs/dbraw/zinc/09/36/83/409093683.db2.gz IPUBHGGBBWSBHR-JTQLQIEISA-N 1 1 310.354 1.919 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293346125 409093887 /nfs/dbraw/zinc/09/38/87/409093887.db2.gz HJPCPPQVOSMFDW-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000293351445 409096987 /nfs/dbraw/zinc/09/69/87/409096987.db2.gz TWECKCWIRXRMQP-QWHCGFSZSA-N 1 1 311.407 1.951 20 5 DDBDMO Cc1nc(N(C)CCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000288870837 409190453 /nfs/dbraw/zinc/19/04/53/409190453.db2.gz LKKWDJRPZQGPON-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1nc(N(C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000288870837 409190454 /nfs/dbraw/zinc/19/04/54/409190454.db2.gz LKKWDJRPZQGPON-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294082090 409237927 /nfs/dbraw/zinc/23/79/27/409237927.db2.gz JTDZTCLQKWGBDA-AWEZNQCLSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294082090 409237929 /nfs/dbraw/zinc/23/79/29/409237929.db2.gz JTDZTCLQKWGBDA-AWEZNQCLSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294082090 409237930 /nfs/dbraw/zinc/23/79/30/409237930.db2.gz JTDZTCLQKWGBDA-AWEZNQCLSA-N 1 1 307.354 1.184 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294155094 409251127 /nfs/dbraw/zinc/25/11/27/409251127.db2.gz NRNGRPJOVWPALH-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000294155094 409251129 /nfs/dbraw/zinc/25/11/29/409251129.db2.gz NRNGRPJOVWPALH-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294155094 409251132 /nfs/dbraw/zinc/25/11/32/409251132.db2.gz NRNGRPJOVWPALH-OAHLLOKOSA-N 1 1 321.381 1.438 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000280305931 409289121 /nfs/dbraw/zinc/28/91/21/409289121.db2.gz SMSLDJNCYQDORX-UHFFFAOYSA-N 1 1 305.334 1.352 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000280622554 409384919 /nfs/dbraw/zinc/38/49/19/409384919.db2.gz BRZZPLZYEKNZRP-LBPRGKRZSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280622554 409384923 /nfs/dbraw/zinc/38/49/23/409384923.db2.gz BRZZPLZYEKNZRP-LBPRGKRZSA-N 1 1 321.381 1.845 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000280622554 409384929 /nfs/dbraw/zinc/38/49/29/409384929.db2.gz BRZZPLZYEKNZRP-LBPRGKRZSA-N 1 1 321.381 1.845 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000290497380 409423979 /nfs/dbraw/zinc/42/39/79/409423979.db2.gz ALVTTYSONHAHAQ-ZYHUDNBSSA-N 1 1 319.365 1.009 20 5 DDBDMO CNc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000321888211 164046288 /nfs/dbraw/zinc/04/62/88/164046288.db2.gz RMGHKINCVIRRAP-NWDGAFQWSA-N 1 1 318.377 1.993 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000347020223 164098236 /nfs/dbraw/zinc/09/82/36/164098236.db2.gz SXRZVVPNQMEPHY-GFCCVEGCSA-N 1 1 319.361 1.912 20 5 DDBDMO CS[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296233486 409473986 /nfs/dbraw/zinc/47/39/86/409473986.db2.gz KTIWJEMKZCPREF-RYUDHWBXSA-N 1 1 312.391 1.772 20 5 DDBDMO CC(C)(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000407986610 164189264 /nfs/dbraw/zinc/18/92/64/164189264.db2.gz MNFBCDKIQIMNTC-GFCCVEGCSA-N 1 1 321.381 1.223 20 5 DDBDMO CC(C)(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000407986610 164189266 /nfs/dbraw/zinc/18/92/66/164189266.db2.gz MNFBCDKIQIMNTC-GFCCVEGCSA-N 1 1 321.381 1.223 20 5 DDBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1C ZINC000408168195 164249369 /nfs/dbraw/zinc/24/93/69/164249369.db2.gz HOYDEXGSAMQLHL-PHIMTYICSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)[N@@H+]1C ZINC000408168195 164249370 /nfs/dbraw/zinc/24/93/70/164249370.db2.gz HOYDEXGSAMQLHL-PHIMTYICSA-N 1 1 309.370 1.077 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000408222166 164265671 /nfs/dbraw/zinc/26/56/71/164265671.db2.gz OXMFFGRYWHJAMN-UHFFFAOYSA-N 1 1 307.354 1.029 20 5 DDBDMO CNC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000344919660 409553542 /nfs/dbraw/zinc/55/35/42/409553542.db2.gz CXBYFKRAGPWNFT-DIECRNLCSA-N 1 1 304.350 1.611 20 5 DDBDMO CNC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000344919660 409553548 /nfs/dbraw/zinc/55/35/48/409553548.db2.gz CXBYFKRAGPWNFT-DIECRNLCSA-N 1 1 304.350 1.611 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452880 409643304 /nfs/dbraw/zinc/64/33/04/409643304.db2.gz QPLOYVQMBSLFLY-AAEUAGOBSA-N 1 1 319.361 1.573 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000296854703 409671426 /nfs/dbraw/zinc/67/14/26/409671426.db2.gz UMCMRHATTRNQIO-KBPBESRZSA-N 1 1 317.349 1.380 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357041240 409810985 /nfs/dbraw/zinc/81/09/85/409810985.db2.gz QMAHKHJNKVKHEN-GHMZBOCLSA-N 1 1 306.366 1.218 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000342835810 409939665 /nfs/dbraw/zinc/93/96/65/409939665.db2.gz QOPXAQBAOVVKHY-ZYHUDNBSSA-N 1 1 322.365 1.979 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357392604 410011086 /nfs/dbraw/zinc/01/10/86/410011086.db2.gz OAOIUFQQRAXKPC-QWHCGFSZSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1cn2cc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000357513043 410074708 /nfs/dbraw/zinc/07/47/08/410074708.db2.gz NAERCOMQSCFNJP-UHFFFAOYSA-N 1 1 312.289 1.788 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000346691742 410087020 /nfs/dbraw/zinc/08/70/20/410087020.db2.gz WAZSXXSPSZRMFJ-CABZTGNLSA-N 1 1 321.333 1.077 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000355043809 410263362 /nfs/dbraw/zinc/26/33/62/410263362.db2.gz SNXIWNUJOQSTQZ-ZYHUDNBSSA-N 1 1 324.333 1.102 20 5 DDBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332774 410479961 /nfs/dbraw/zinc/47/99/61/410479961.db2.gz IGYRQWBFOHNGPN-FZMZJTMJSA-N 1 1 319.321 1.899 20 5 DDBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000352033289 410431906 /nfs/dbraw/zinc/43/19/06/410431906.db2.gz RWKMGLCIIVPODY-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000352033289 410431914 /nfs/dbraw/zinc/43/19/14/410431914.db2.gz RWKMGLCIIVPODY-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000343564098 410535269 /nfs/dbraw/zinc/53/52/69/410535269.db2.gz GYRQCJLANSYZLP-LLVKDONJSA-N 1 1 308.338 1.300 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000330514257 410741630 /nfs/dbraw/zinc/74/16/30/410741630.db2.gz DLYDTRVTTYFQOA-BPNCWPANSA-N 1 1 307.350 1.491 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000330514257 410741638 /nfs/dbraw/zinc/74/16/38/410741638.db2.gz DLYDTRVTTYFQOA-BPNCWPANSA-N 1 1 307.350 1.491 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000347889536 410779047 /nfs/dbraw/zinc/77/90/47/410779047.db2.gz FYLSQLSAXYRSAB-UHFFFAOYSA-N 1 1 323.397 1.963 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)n1 ZINC000340205521 410750105 /nfs/dbraw/zinc/75/01/05/410750105.db2.gz YLPRUAYYCKUGKA-ONGXEEELSA-N 1 1 322.287 1.569 20 5 DDBDMO C[NH+](C)CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000348048124 410824740 /nfs/dbraw/zinc/82/47/40/410824740.db2.gz PESDBRPNROHUHC-UHFFFAOYSA-N 1 1 320.393 1.467 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356099560 410831878 /nfs/dbraw/zinc/83/18/78/410831878.db2.gz QSVFZZLZOCYGIV-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301958724 410835281 /nfs/dbraw/zinc/83/52/81/410835281.db2.gz LQJSMYGJTCKFMK-OAHLLOKOSA-N 1 1 318.377 1.513 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000341068136 410880000 /nfs/dbraw/zinc/88/00/00/410880000.db2.gz YCTMWNUAEPMJRT-TXEJJXNPSA-N 1 1 309.370 1.170 20 5 DDBDMO CC[NH+](CC)CC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000330603310 410817754 /nfs/dbraw/zinc/81/77/54/410817754.db2.gz JYAQETSJLUHGAA-UHFFFAOYSA-N 1 1 323.397 1.820 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000331296762 411064738 /nfs/dbraw/zinc/06/47/38/411064738.db2.gz OGVFEFXQMKQDMS-UHFFFAOYSA-N 1 1 309.370 1.180 20 5 DDBDMO Cc1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353708080 411114981 /nfs/dbraw/zinc/11/49/81/411114981.db2.gz HTQGJFWWHRYJAD-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000353708080 411114984 /nfs/dbraw/zinc/11/49/84/411114984.db2.gz HTQGJFWWHRYJAD-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000360651165 418483714 /nfs/dbraw/zinc/48/37/14/418483714.db2.gz FWWZAXQQUKBHDW-QWRGUYRKSA-N 1 1 313.379 1.356 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000368259873 418711953 /nfs/dbraw/zinc/71/19/53/418711953.db2.gz GTDCVJGUNWEDSF-MRXNPFEDSA-N 1 1 316.361 1.464 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000368259873 418711955 /nfs/dbraw/zinc/71/19/55/418711955.db2.gz GTDCVJGUNWEDSF-MRXNPFEDSA-N 1 1 316.361 1.464 20 5 DDBDMO NC(=O)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367988737 418669964 /nfs/dbraw/zinc/66/99/64/418669964.db2.gz MPJPSEHGSDMWMW-LLVKDONJSA-N 1 1 320.349 1.121 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000386438225 418740342 /nfs/dbraw/zinc/74/03/42/418740342.db2.gz PIWDYMCHBBJYFG-MRVPVSSYSA-N 1 1 321.175 1.255 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000362058659 418746686 /nfs/dbraw/zinc/74/66/86/418746686.db2.gz DLHBHDLOSCFXCP-WDEREUQCSA-N 1 1 309.322 1.171 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000362058659 418746688 /nfs/dbraw/zinc/74/66/88/418746688.db2.gz DLHBHDLOSCFXCP-WDEREUQCSA-N 1 1 309.322 1.171 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000371559693 418800324 /nfs/dbraw/zinc/80/03/24/418800324.db2.gz AHDIACKQTAIOBH-ZWNOBZJWSA-N 1 1 304.350 1.343 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000365055775 418834649 /nfs/dbraw/zinc/83/46/49/418834649.db2.gz WJBLFOZWVNJZTE-VXGBXAGGSA-N 1 1 320.349 1.815 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000364932853 418825305 /nfs/dbraw/zinc/82/53/05/418825305.db2.gz KRYWPAUYNHKPAH-ZDUSSCGKSA-N 1 1 321.377 1.052 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000365587279 418878675 /nfs/dbraw/zinc/87/86/75/418878675.db2.gz KLXZKYVHNKTIBK-HRCADAONSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000365587279 418878678 /nfs/dbraw/zinc/87/86/78/418878678.db2.gz KLXZKYVHNKTIBK-HRCADAONSA-N 1 1 317.389 1.680 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000365587279 418878679 /nfs/dbraw/zinc/87/86/79/418878679.db2.gz KLXZKYVHNKTIBK-HRCADAONSA-N 1 1 317.389 1.680 20 5 DDBDMO CCCCNC(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411476440 418908197 /nfs/dbraw/zinc/90/81/97/418908197.db2.gz GPSBJMFKQNQQQO-UHFFFAOYSA-N 1 1 306.366 1.654 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933225 419367172 /nfs/dbraw/zinc/36/71/72/419367172.db2.gz FYGHRIPISSZYKS-AGIUHOORSA-N 1 1 321.377 1.872 20 5 DDBDMO Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nc1[N+](=O)[O-] ZINC000421215398 419526800 /nfs/dbraw/zinc/52/68/00/419526800.db2.gz ODPYZGOJSXZTNW-UHFFFAOYSA-N 1 1 316.361 1.980 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411938083 419511013 /nfs/dbraw/zinc/51/10/13/419511013.db2.gz JOCWHSLPFUPVNQ-LSDHHAIUSA-N 1 1 302.334 1.599 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411943424 419513696 /nfs/dbraw/zinc/51/36/96/419513696.db2.gz QOZXWQUDZGHPBC-LLVKDONJSA-N 1 1 307.350 1.514 20 5 DDBDMO COc1c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000421711926 419696979 /nfs/dbraw/zinc/69/69/79/419696979.db2.gz PKHYHDPDUDAWGP-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CNc1nc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000422032233 419818637 /nfs/dbraw/zinc/81/86/37/419818637.db2.gz FCOASEBGMXDZJM-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000430280255 420102350 /nfs/dbraw/zinc/10/23/50/420102350.db2.gz VPRBDNVJBDZSLS-HNNXBMFYSA-N 1 1 307.350 1.561 20 5 DDBDMO C[NH2+]C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430605189 420156386 /nfs/dbraw/zinc/15/63/86/420156386.db2.gz QARJNIVNTDMAAJ-ZDUSSCGKSA-N 1 1 320.393 1.855 20 5 DDBDMO Cc1cccc(NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000302523194 230285415 /nfs/dbraw/zinc/28/54/15/230285415.db2.gz YSGDEQRMLQARBS-OAHLLOKOSA-N 1 1 309.366 1.398 20 5 DDBDMO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315460 230362879 /nfs/dbraw/zinc/36/28/79/230362879.db2.gz QPCFGKMJVSJFRL-BLLLJJGKSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447315460 230362880 /nfs/dbraw/zinc/36/28/80/230362880.db2.gz QPCFGKMJVSJFRL-BLLLJJGKSA-N 1 1 324.377 1.365 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000452123214 420623281 /nfs/dbraw/zinc/62/32/81/420623281.db2.gz VIKUPPZXNZFQNA-CYBMUJFWSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000493134898 420765153 /nfs/dbraw/zinc/76/51/53/420765153.db2.gz WAAYCDOUBMNUSO-QEAXDZPNSA-N 1 1 301.346 1.771 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000493157645 420772384 /nfs/dbraw/zinc/77/23/84/420772384.db2.gz OLPNVXGBMRMFLU-DKIZZRPMSA-N 1 1 301.346 1.771 20 5 DDBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]2CCCCN12 ZINC000453628717 420738888 /nfs/dbraw/zinc/73/88/88/420738888.db2.gz NOBLTICRJVPHLS-FZMZJTMJSA-N 1 1 307.325 1.977 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459657314 420841498 /nfs/dbraw/zinc/84/14/98/420841498.db2.gz FQDQOCPPLVNBHD-KGLIPLIRSA-N 1 1 319.361 1.257 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449569785 421029517 /nfs/dbraw/zinc/02/95/17/421029517.db2.gz DLBAHKQRQLJEMH-AWEZNQCLSA-N 1 1 311.313 1.377 20 5 DDBDMO CN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000523435962 421238863 /nfs/dbraw/zinc/23/88/63/421238863.db2.gz ZALUSHDFXLQAMH-OAHLLOKOSA-N 1 1 318.377 1.973 20 5 DDBDMO CC(C)[N@H+](Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782933 421300962 /nfs/dbraw/zinc/30/09/62/421300962.db2.gz HBGSRULPXSNCLH-HNNXBMFYSA-N 1 1 319.365 1.458 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641938 421441189 /nfs/dbraw/zinc/44/11/89/421441189.db2.gz RHHHKVXYMYQRGN-QWHCGFSZSA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000514641938 421441190 /nfs/dbraw/zinc/44/11/90/421441190.db2.gz RHHHKVXYMYQRGN-QWHCGFSZSA-N 1 1 321.377 1.223 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548714449 421466408 /nfs/dbraw/zinc/46/64/08/421466408.db2.gz JUGKHPHISIVVFY-NSHDSACASA-N 1 1 321.381 1.280 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000549412645 421500382 /nfs/dbraw/zinc/50/03/82/421500382.db2.gz BCLLOMRKVLLYRI-JTQLQIEISA-N 1 1 315.276 1.507 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000549412645 421500385 /nfs/dbraw/zinc/50/03/85/421500385.db2.gz BCLLOMRKVLLYRI-JTQLQIEISA-N 1 1 315.276 1.507 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCCC1=O ZINC000554558457 421650093 /nfs/dbraw/zinc/65/00/93/421650093.db2.gz LBPQMGXATUSGFR-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[NH+]1CCN(CCCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000571144997 421691305 /nfs/dbraw/zinc/69/13/05/421691305.db2.gz JJXIBHVZOUAIJZ-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000542778314 421828791 /nfs/dbraw/zinc/82/87/91/421828791.db2.gz KUWDZIAQYYHDGQ-ZFWWWQNUSA-N 1 1 318.377 1.830 20 5 DDBDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422985 421786818 /nfs/dbraw/zinc/78/68/18/421786818.db2.gz NYKVOLPWCDIQIX-XJKSGUPXSA-N 1 1 318.421 1.808 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000584089903 422254380 /nfs/dbraw/zinc/25/43/80/422254380.db2.gz VIGMWIAEKHPEGA-NSHDSACASA-N 1 1 309.370 1.271 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576885956 422379250 /nfs/dbraw/zinc/37/92/50/422379250.db2.gz MQGQAFACXBGIQV-NSHDSACASA-N 1 1 321.381 1.376 20 5 DDBDMO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000577294244 422384149 /nfs/dbraw/zinc/38/41/49/422384149.db2.gz MGMOGRLPXSVXFO-QWRGUYRKSA-N 1 1 321.381 1.565 20 5 DDBDMO Nc1nccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600469294 422411170 /nfs/dbraw/zinc/41/11/70/422411170.db2.gz JCDYSLYCGFVORQ-NSHDSACASA-N 1 1 319.365 1.319 20 5 DDBDMO Nc1ccc(N2CCN(c3ccsc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000601108546 422417436 /nfs/dbraw/zinc/41/74/36/422417436.db2.gz IPWQHOQMGBINBY-UHFFFAOYSA-N 1 1 305.363 1.960 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000342063026 271287885 /nfs/dbraw/zinc/28/78/85/271287885.db2.gz NZHSYUOKIOTAQT-LLVKDONJSA-N 1 1 309.370 1.209 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000342063026 271287888 /nfs/dbraw/zinc/28/78/88/271287888.db2.gz NZHSYUOKIOTAQT-LLVKDONJSA-N 1 1 309.370 1.209 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000342815370 271526331 /nfs/dbraw/zinc/52/63/31/271526331.db2.gz PLXGENCFMHUOOB-UHFFFAOYSA-N 1 1 309.370 1.172 20 5 DDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000345901809 272361749 /nfs/dbraw/zinc/36/17/49/272361749.db2.gz HYEOVJBUCXZQFD-ZJUUUORDSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000345901809 272361751 /nfs/dbraw/zinc/36/17/51/272361751.db2.gz HYEOVJBUCXZQFD-ZJUUUORDSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345916003 272364253 /nfs/dbraw/zinc/36/42/53/272364253.db2.gz YZAZCAXIQRZOND-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000266326252 274118213 /nfs/dbraw/zinc/11/82/13/274118213.db2.gz GGUIRBWWCXXQEK-RYUDHWBXSA-N 1 1 309.366 1.495 20 5 DDBDMO O=[N+]([O-])c1c(N2CCC[N@H+](C3CC3)CC2)nc2sccn21 ZINC000057857711 275032707 /nfs/dbraw/zinc/03/27/07/275032707.db2.gz ZTGSUYKSITVQNS-UHFFFAOYSA-N 1 1 307.379 1.979 20 5 DDBDMO C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000119943293 277050369 /nfs/dbraw/zinc/05/03/69/277050369.db2.gz LYYIFFHGIABHKR-UHFFFAOYSA-N 1 1 314.345 1.921 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000290497377 277070720 /nfs/dbraw/zinc/07/07/20/277070720.db2.gz ALVTTYSONHAHAQ-PWSUYJOCSA-N 1 1 319.365 1.009 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228306 277159253 /nfs/dbraw/zinc/15/92/53/277159253.db2.gz OJZOZNGWYMZMKJ-NVXWUHKLSA-N 1 1 319.405 1.973 20 5 DDBDMO CN1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228306 277159254 /nfs/dbraw/zinc/15/92/54/277159254.db2.gz OJZOZNGWYMZMKJ-NVXWUHKLSA-N 1 1 319.405 1.973 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000279723159 278262962 /nfs/dbraw/zinc/26/29/62/278262962.db2.gz MCQSLXKZMJXTSB-AWEZNQCLSA-N 1 1 323.393 1.626 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000323707577 298261477 /nfs/dbraw/zinc/26/14/77/298261477.db2.gz JYZZKQMROPUFIJ-MRXNPFEDSA-N 1 1 318.377 1.804 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000362100565 300005500 /nfs/dbraw/zinc/00/55/00/300005500.db2.gz XSZMJBSKTGDBPE-ZYHUDNBSSA-N 1 1 318.333 1.705 20 5 DDBDMO CC(C)OC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364324176 300376230 /nfs/dbraw/zinc/37/62/30/300376230.db2.gz LIWRERDPRKHYBO-GFCCVEGCSA-N 1 1 310.354 1.770 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000368587741 301059335 /nfs/dbraw/zinc/05/93/35/301059335.db2.gz DRYJEIJFSCZHAM-XJKSGUPXSA-N 1 1 317.389 1.998 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000408025351 301204913 /nfs/dbraw/zinc/20/49/13/301204913.db2.gz BCEFJGYNIBODNU-QWHCGFSZSA-N 1 1 306.366 1.516 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3CCCCCC[C@@H]32)c1 ZINC000375852257 302004657 /nfs/dbraw/zinc/00/46/57/302004657.db2.gz WLCXRYGDGQNBPW-YUELXQCFSA-N 1 1 308.382 1.807 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000375987995 302019853 /nfs/dbraw/zinc/01/98/53/302019853.db2.gz YRXKEIXKGWPANK-HNNXBMFYSA-N 1 1 321.377 1.316 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000375987995 302019855 /nfs/dbraw/zinc/01/98/55/302019855.db2.gz YRXKEIXKGWPANK-HNNXBMFYSA-N 1 1 321.377 1.316 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641904 302360059 /nfs/dbraw/zinc/36/00/59/302360059.db2.gz XMMALNVQKMATHG-NEPJUHHUSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000398641904 302360061 /nfs/dbraw/zinc/36/00/61/302360061.db2.gz XMMALNVQKMATHG-NEPJUHHUSA-N 1 1 307.350 1.484 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000531726628 303253030 /nfs/dbraw/zinc/25/30/30/303253030.db2.gz QXIZQSMBMSFAAQ-AAEUAGOBSA-N 1 1 306.366 1.490 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@H]1C ZINC000532134480 303276355 /nfs/dbraw/zinc/27/63/55/303276355.db2.gz ZCMFMQXNBZBRBK-VXGBXAGGSA-N 1 1 306.366 1.983 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367782057 307104083 /nfs/dbraw/zinc/10/40/83/307104083.db2.gz TWPFKBLEHSRNIE-OLRMPSLUSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367782057 307104084 /nfs/dbraw/zinc/10/40/84/307104084.db2.gz TWPFKBLEHSRNIE-OLRMPSLUSA-N 1 1 305.334 1.092 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000565174952 308023561 /nfs/dbraw/zinc/02/35/61/308023561.db2.gz UPIYRRWJLWRCIX-MRXNPFEDSA-N 1 1 305.378 1.891 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000565233516 308026394 /nfs/dbraw/zinc/02/63/94/308026394.db2.gz MXSWYMBAZHCRHD-ZDUSSCGKSA-N 1 1 319.365 1.554 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000576977164 308353782 /nfs/dbraw/zinc/35/37/82/308353782.db2.gz HLWJITCVPDHQRI-LLVKDONJSA-N 1 1 302.290 1.370 20 5 DDBDMO COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361708 332353644 /nfs/dbraw/zinc/35/36/44/332353644.db2.gz PNXLTCHCCYVXKF-TZMCWYRMSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@@H](C)OC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361708 332353645 /nfs/dbraw/zinc/35/36/45/332353645.db2.gz PNXLTCHCCYVXKF-TZMCWYRMSA-N 1 1 324.377 1.365 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451341753 534889321 /nfs/dbraw/zinc/88/93/21/534889321.db2.gz LQYRKOANRNAYGL-ZNMIVQPWSA-N 1 1 308.382 1.807 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459600193 528035079 /nfs/dbraw/zinc/03/50/79/528035079.db2.gz SOVLTNBECCZATD-UHFFFAOYSA-N 1 1 322.365 1.346 20 5 DDBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)OC ZINC000299373401 528400786 /nfs/dbraw/zinc/40/07/86/528400786.db2.gz ZMKYMGCITSKFCW-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)OC ZINC000299373401 528400789 /nfs/dbraw/zinc/40/07/89/528400789.db2.gz ZMKYMGCITSKFCW-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC(C)[C@H]([NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803807 529068924 /nfs/dbraw/zinc/06/89/24/529068924.db2.gz WVXWYEILVWPLLG-SMDDNHRTSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@H](N)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414803807 529068928 /nfs/dbraw/zinc/06/89/28/529068928.db2.gz WVXWYEILVWPLLG-SMDDNHRTSA-N 1 1 308.382 1.885 20 5 DDBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC000820664754 599588645 /nfs/dbraw/zinc/58/86/45/599588645.db2.gz BQDHMOSQSCXTNL-NXEZZACHSA-N 1 1 317.353 1.670 20 5 DDBDMO CCC[N@@H+](CC)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821094299 606715032 /nfs/dbraw/zinc/71/50/32/606715032.db2.gz GDAULUBHJGEDEC-UHFFFAOYSA-N 1 1 320.357 1.314 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070076982 696387220 /nfs/dbraw/zinc/38/72/20/696387220.db2.gz DRSUPVCBPYVIJT-GHMZBOCLSA-N 1 1 313.379 1.274 20 5 DDBDMO CON(C)C(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000799143227 700122467 /nfs/dbraw/zinc/12/24/67/700122467.db2.gz KIQCFMYPUCGOGJ-UHFFFAOYSA-N 1 1 307.350 1.969 20 5 DDBDMO O=C(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782480617 698728196 /nfs/dbraw/zinc/72/81/96/698728196.db2.gz BAGCJZICIGYUMC-QWRGUYRKSA-N 1 1 322.340 1.214 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1O ZINC000782524607 698734127 /nfs/dbraw/zinc/73/41/27/698734127.db2.gz OMGPJTVWRLUXRF-RNCFNFMXSA-N 1 1 311.313 1.375 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@H]3C[C@@]3(CO)C1)OCCO2 ZINC000783735357 698871701 /nfs/dbraw/zinc/87/17/01/698871701.db2.gz PQGSBTPKJAAICQ-ABAIWWIYSA-N 1 1 306.318 1.180 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@H]3C[C@@]3(CO)C1)OCCO2 ZINC000783735357 698871706 /nfs/dbraw/zinc/87/17/06/698871706.db2.gz PQGSBTPKJAAICQ-ABAIWWIYSA-N 1 1 306.318 1.180 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455911 699529194 /nfs/dbraw/zinc/52/91/94/699529194.db2.gz XGRXQMVBAAUZTA-OCCSQVGLSA-N 1 1 323.324 1.327 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000731947252 699542272 /nfs/dbraw/zinc/54/22/72/699542272.db2.gz BOIQHLTZPRIKBG-ZDUSSCGKSA-N 1 1 323.422 1.127 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000731947252 699542273 /nfs/dbraw/zinc/54/22/73/699542273.db2.gz BOIQHLTZPRIKBG-ZDUSSCGKSA-N 1 1 323.422 1.127 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796556224 699938840 /nfs/dbraw/zinc/93/88/40/699938840.db2.gz ODHIYUYCDFVFIL-KCXAZCMYSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000796556224 699938842 /nfs/dbraw/zinc/93/88/42/699938842.db2.gz ODHIYUYCDFVFIL-KCXAZCMYSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761077383 700840758 /nfs/dbraw/zinc/84/07/58/700840758.db2.gz RTSBDVIZGKKQQU-VXGBXAGGSA-N 1 1 306.366 1.558 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000766207791 701042427 /nfs/dbraw/zinc/04/24/27/701042427.db2.gz ZUZCRICEWQCUFA-LLVKDONJSA-N 1 1 314.345 1.919 20 5 DDBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000766207791 701042429 /nfs/dbraw/zinc/04/24/29/701042429.db2.gz ZUZCRICEWQCUFA-LLVKDONJSA-N 1 1 314.345 1.919 20 5 DDBDMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC000839543359 701730965 /nfs/dbraw/zinc/73/09/65/701730965.db2.gz JHVICWWDLNQHCX-HUUCEWRRSA-N 1 1 318.377 1.432 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000839670015 701774539 /nfs/dbraw/zinc/77/45/39/701774539.db2.gz REVCMAGDSHXZLG-UKRRQHHQSA-N 1 1 321.377 1.617 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000867982199 701872078 /nfs/dbraw/zinc/87/20/78/701872078.db2.gz LXRYOIAYZOPOAF-XFJVYGCCSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000867985314 701874550 /nfs/dbraw/zinc/87/45/50/701874550.db2.gz AFOVKEQDEZTNIQ-BFQNTYOBSA-N 1 1 321.377 1.795 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1 ZINC000812321484 702147332 /nfs/dbraw/zinc/14/73/32/702147332.db2.gz DWQWIIJRFGEUKA-OLZOCXBDSA-N 1 1 303.362 1.927 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccn4c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206013 706648542 /nfs/dbraw/zinc/64/85/42/706648542.db2.gz ICIDIQGBTCXJBY-NEPJUHHUSA-N 1 1 301.350 1.773 20 5 DDBDMO CC1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)COC1 ZINC000813173597 702307967 /nfs/dbraw/zinc/30/79/67/702307967.db2.gz GQAHZQQZKNTRKH-AWEZNQCLSA-N 1 1 320.345 1.749 20 5 DDBDMO CC1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)COC1 ZINC000813173597 702307975 /nfs/dbraw/zinc/30/79/75/702307975.db2.gz GQAHZQQZKNTRKH-AWEZNQCLSA-N 1 1 320.345 1.749 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000843061136 702810462 /nfs/dbraw/zinc/81/04/62/702810462.db2.gz AAJPSUNNQKQVQC-MRXNPFEDSA-N 1 1 323.393 1.065 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847827374 703473827 /nfs/dbraw/zinc/47/38/27/703473827.db2.gz PFULRFHUMFBASK-GFCCVEGCSA-N 1 1 310.354 1.375 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000850431473 703730728 /nfs/dbraw/zinc/73/07/28/703730728.db2.gz XMQNDPDTDMRSDN-VIFPVBQESA-N 1 1 302.352 1.299 20 5 DDBDMO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC000869784698 703852548 /nfs/dbraw/zinc/85/25/48/703852548.db2.gz NBAAFPHGXIPWFC-LBPRGKRZSA-N 1 1 321.377 1.478 20 5 DDBDMO O=C1OCCN1[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000852432693 704045478 /nfs/dbraw/zinc/04/54/78/704045478.db2.gz NXNFLGZXRVLXBC-GFCCVEGCSA-N 1 1 321.333 1.500 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000819338134 704110175 /nfs/dbraw/zinc/11/01/75/704110175.db2.gz WZPIWZSLBTVAJT-JSGCOSHPSA-N 1 1 318.333 1.266 20 5 DDBDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789995 704133028 /nfs/dbraw/zinc/13/30/28/704133028.db2.gz LXJYCTUEUGYULM-NEPJUHHUSA-N 1 1 310.354 1.597 20 5 DDBDMO Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000874047782 704926543 /nfs/dbraw/zinc/92/65/43/704926543.db2.gz ASLRXUNMZJLBEW-UHFFFAOYSA-N 1 1 307.350 1.542 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874848152 705201352 /nfs/dbraw/zinc/20/13/52/705201352.db2.gz RUWYMZWEGNRLQP-ZIAGYGMSSA-N 1 1 304.350 1.607 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968187 705347041 /nfs/dbraw/zinc/34/70/41/705347041.db2.gz MNTNISDNQSXLPM-VHSXEESVSA-N 1 1 307.354 1.733 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825338284 705649046 /nfs/dbraw/zinc/64/90/46/705649046.db2.gz NXBXCIBCJIUHIL-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379940 705658573 /nfs/dbraw/zinc/65/85/73/705658573.db2.gz UECFAZGVPIEYPG-IAQYHMDHSA-N 1 1 319.361 1.229 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830353 705735328 /nfs/dbraw/zinc/73/53/28/705735328.db2.gz KNQHOVDEIUKUMP-HUUCEWRRSA-N 1 1 321.377 1.619 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000826970467 705902930 /nfs/dbraw/zinc/90/29/30/705902930.db2.gz MPINPKCLVFHPEF-GMXABZIVSA-N 1 1 319.361 1.370 20 5 DDBDMO COc1c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264786 705963257 /nfs/dbraw/zinc/96/32/57/705963257.db2.gz DOTUQMFNNVMITF-WCQYABFASA-N 1 1 319.361 1.770 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000877330675 706066498 /nfs/dbraw/zinc/06/64/98/706066498.db2.gz GDTRKUSFXUCAFD-CQSZACIVSA-N 1 1 305.378 1.728 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000877330675 706066499 /nfs/dbraw/zinc/06/64/99/706066499.db2.gz GDTRKUSFXUCAFD-CQSZACIVSA-N 1 1 305.378 1.728 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057861 706338086 /nfs/dbraw/zinc/33/80/86/706338086.db2.gz FXDTVXVYTQFIDS-QWRGUYRKSA-N 1 1 323.324 1.327 20 5 DDBDMO C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036702 707284460 /nfs/dbraw/zinc/28/44/60/707284460.db2.gz VKXWGKMFSIKDOI-NEPJUHHUSA-N 1 1 310.373 1.630 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872271631 707359140 /nfs/dbraw/zinc/35/91/40/707359140.db2.gz TUFFVRFWRTWCJL-QWHCGFSZSA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872271631 707359143 /nfs/dbraw/zinc/35/91/43/707359143.db2.gz TUFFVRFWRTWCJL-QWHCGFSZSA-N 1 1 316.304 1.984 20 5 DDBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882580879 707706976 /nfs/dbraw/zinc/70/69/76/707706976.db2.gz JANBXEBDMOQICV-NSHDSACASA-N 1 1 313.377 1.813 20 5 DDBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882580879 707706978 /nfs/dbraw/zinc/70/69/78/707706978.db2.gz JANBXEBDMOQICV-NSHDSACASA-N 1 1 313.377 1.813 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CCO[C@H]3CCOC3)nc2c1 ZINC000897202162 708251613 /nfs/dbraw/zinc/25/16/13/708251613.db2.gz QJQMYMRJUHBGAX-NSHDSACASA-N 1 1 307.306 1.631 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897221630 708259563 /nfs/dbraw/zinc/25/95/63/708259563.db2.gz NXPCAXCOMKJUPJ-UONOGXRCSA-N 1 1 305.378 1.939 20 5 DDBDMO Cc1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897222597 708260097 /nfs/dbraw/zinc/26/00/97/708260097.db2.gz WCXCMIPNHGEWCN-KBPBESRZSA-N 1 1 305.378 1.939 20 5 DDBDMO CN(C)C(=O)C1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCCC1 ZINC000886226521 708719484 /nfs/dbraw/zinc/71/94/84/708719484.db2.gz NMNRTEBAYOTPKQ-UHFFFAOYSA-N 1 1 306.366 1.871 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000886284501 708735686 /nfs/dbraw/zinc/73/56/86/708735686.db2.gz ZAOBRZFQSHUGLT-UHFFFAOYSA-N 1 1 320.393 1.534 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000886284501 708735689 /nfs/dbraw/zinc/73/56/89/708735689.db2.gz ZAOBRZFQSHUGLT-UHFFFAOYSA-N 1 1 320.393 1.534 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000886584516 708782659 /nfs/dbraw/zinc/78/26/59/708782659.db2.gz QISFDSGASFYJDQ-YUDUHTQSSA-N 1 1 322.361 1.037 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985091 709422116 /nfs/dbraw/zinc/42/21/16/709422116.db2.gz KYACHMZITJADNU-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985091 709422118 /nfs/dbraw/zinc/42/21/18/709422118.db2.gz KYACHMZITJADNU-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900812299 709773657 /nfs/dbraw/zinc/77/36/57/709773657.db2.gz UVXVWWDWHOUBEI-JSGCOSHPSA-N 1 1 320.393 1.267 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104023 713132173 /nfs/dbraw/zinc/13/21/73/713132173.db2.gz STCAQWJFTNIOJO-ZIAGYGMSSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000928104023 713132175 /nfs/dbraw/zinc/13/21/75/713132175.db2.gz STCAQWJFTNIOJO-ZIAGYGMSSA-N 1 1 321.402 1.904 20 5 DDBDMO COc1c(O)ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000891941322 710333897 /nfs/dbraw/zinc/33/38/97/710333897.db2.gz WGEXUYHLQFHFFF-CYBMUJFWSA-N 1 1 321.377 1.978 20 5 DDBDMO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913286020 713191809 /nfs/dbraw/zinc/19/18/09/713191809.db2.gz XUXNZWFCZNPVIP-HZPDHXFCSA-N 1 1 319.361 1.714 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000928434470 713194334 /nfs/dbraw/zinc/19/43/34/713194334.db2.gz DZEZKJQHPJYNKJ-SCZZXKLOSA-N 1 1 307.306 1.146 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637878 710833057 /nfs/dbraw/zinc/83/30/57/710833057.db2.gz KTQAUNVEMMGILO-JSGCOSHPSA-N 1 1 317.349 1.920 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000902637878 710833060 /nfs/dbraw/zinc/83/30/60/710833060.db2.gz KTQAUNVEMMGILO-JSGCOSHPSA-N 1 1 317.349 1.920 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902906047 710953435 /nfs/dbraw/zinc/95/34/35/710953435.db2.gz RKCDXWKPFIFWPG-YPMHNXCESA-N 1 1 324.406 1.243 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000902906047 710953440 /nfs/dbraw/zinc/95/34/40/710953440.db2.gz RKCDXWKPFIFWPG-YPMHNXCESA-N 1 1 324.406 1.243 20 5 DDBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1CO ZINC000894885676 711308154 /nfs/dbraw/zinc/30/81/54/711308154.db2.gz RRAWAJWPCHPJPC-SECBINFHSA-N 1 1 320.271 1.121 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1CO ZINC000894885676 711308158 /nfs/dbraw/zinc/30/81/58/711308158.db2.gz RRAWAJWPCHPJPC-SECBINFHSA-N 1 1 320.271 1.121 20 5 DDBDMO COc1c(O)ccc(CN(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000894981423 711349435 /nfs/dbraw/zinc/34/94/35/711349435.db2.gz IFUVBUPBGVTVQW-GFCCVEGCSA-N 1 1 309.366 1.835 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc2ccccn2c1[N+](=O)[O-] ZINC000895192996 711449578 /nfs/dbraw/zinc/44/95/78/711449578.db2.gz PIGWKFPJTLNSKR-NWDGAFQWSA-N 1 1 301.350 1.915 20 5 DDBDMO CC[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929110710 713548486 /nfs/dbraw/zinc/54/84/86/713548486.db2.gz FUTJHLCMZUGKHH-GJZGRUSLSA-N 1 1 303.362 1.862 20 5 DDBDMO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044510 713989626 /nfs/dbraw/zinc/98/96/26/713989626.db2.gz NNODNCYMAIEMTG-IUODEOHRSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044510 713989627 /nfs/dbraw/zinc/98/96/27/713989627.db2.gz NNODNCYMAIEMTG-IUODEOHRSA-N 1 1 320.393 1.948 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000931392357 714082863 /nfs/dbraw/zinc/08/28/63/714082863.db2.gz WEZMIKMKOQYTPL-TXEJJXNPSA-N 1 1 301.350 1.750 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCn2cc[nH+]c21 ZINC000931523491 714119049 /nfs/dbraw/zinc/11/90/49/714119049.db2.gz DBWQFNOLEDKQIB-JTQLQIEISA-N 1 1 301.306 1.639 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000931609186 714138116 /nfs/dbraw/zinc/13/81/16/714138116.db2.gz DDQFAIYHSHJTTG-TVQRCGJNSA-N 1 1 308.313 1.902 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000931609187 714138143 /nfs/dbraw/zinc/13/81/43/714138143.db2.gz DDQFAIYHSHJTTG-ZANVPECISA-N 1 1 308.313 1.902 20 5 DDBDMO CCOc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000931903648 714209278 /nfs/dbraw/zinc/20/92/78/714209278.db2.gz OYMVLNHVUGYSAL-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO C[C@]1([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932016808 714235872 /nfs/dbraw/zinc/23/58/72/714235872.db2.gz PLDAUXNTJOCUFG-SWLSCSKDSA-N 1 1 320.349 1.700 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602268 714365770 /nfs/dbraw/zinc/36/57/70/714365770.db2.gz XHPJPKJHCABEJM-UHFFFAOYSA-N 1 1 316.365 1.689 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602268 714365771 /nfs/dbraw/zinc/36/57/71/714365771.db2.gz XHPJPKJHCABEJM-UHFFFAOYSA-N 1 1 316.365 1.689 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC[N@@H+](C)CC1 ZINC000933991422 714716447 /nfs/dbraw/zinc/71/64/47/714716447.db2.gz DJBDZFVBRUJBOP-UHFFFAOYSA-N 1 1 322.409 1.283 20 5 DDBDMO COc1ccc(CN2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000933998608 714719410 /nfs/dbraw/zinc/71/94/10/714719410.db2.gz LIMDIPCSNNSVGS-UHFFFAOYSA-N 1 1 322.409 1.283 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000934003574 714720391 /nfs/dbraw/zinc/72/03/91/714720391.db2.gz ATOMTWBNGFQMHM-CQSZACIVSA-N 1 1 306.322 1.410 20 5 DDBDMO C/C(=C/C(=O)NCC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000924997444 714720895 /nfs/dbraw/zinc/72/08/95/714720895.db2.gz HNMSCKKMOPZTJK-QXMHVHEDSA-N 1 1 307.350 1.038 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000935169259 714994039 /nfs/dbraw/zinc/99/40/39/714994039.db2.gz YWZQJRPKMBNCBK-MNOVXSKESA-N 1 1 309.370 1.041 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164643042 719178182 /nfs/dbraw/zinc/17/81/82/719178182.db2.gz YWMJDCJFZDVXNV-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001164643042 719178185 /nfs/dbraw/zinc/17/81/85/719178185.db2.gz YWMJDCJFZDVXNV-NXEZZACHSA-N 1 1 308.338 1.305 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923251 721848930 /nfs/dbraw/zinc/84/89/30/721848930.db2.gz UNHOKRDCMBXEFW-KBPBESRZSA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])ccn1 ZINC001164923251 721848932 /nfs/dbraw/zinc/84/89/32/721848932.db2.gz UNHOKRDCMBXEFW-KBPBESRZSA-N 1 1 305.382 1.204 20 5 DDBDMO C[N@@H+]1CCc2c(NCC(C)(C)C(N)=O)ccc([N+](=O)[O-])c2C1 ZINC001167606282 734813135 /nfs/dbraw/zinc/81/31/35/734813135.db2.gz TVDXFSATIBTMKI-UHFFFAOYSA-N 1 1 306.366 1.506 20 5 DDBDMO C[N@H+]1CCc2c(NCC(C)(C)C(N)=O)ccc([N+](=O)[O-])c2C1 ZINC001167606282 734813139 /nfs/dbraw/zinc/81/31/39/734813139.db2.gz TVDXFSATIBTMKI-UHFFFAOYSA-N 1 1 306.366 1.506 20 5 DDBDMO COC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001182763372 743708912 /nfs/dbraw/zinc/70/89/12/743708912.db2.gz DKZXEMZAYWCFBR-UHFFFAOYSA-N 1 1 305.290 1.921 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001184065549 743956734 /nfs/dbraw/zinc/95/67/34/743956734.db2.gz IOJPHULCHZTONT-LLVKDONJSA-N 1 1 324.333 1.694 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001184065549 743956736 /nfs/dbraw/zinc/95/67/36/743956736.db2.gz IOJPHULCHZTONT-LLVKDONJSA-N 1 1 324.333 1.694 20 5 DDBDMO CC(C)[N@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001190485512 745223096 /nfs/dbraw/zinc/22/30/96/745223096.db2.gz LHNKYHFREGNHHN-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO CC(C)[N@@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001190485512 745223102 /nfs/dbraw/zinc/22/31/02/745223102.db2.gz LHNKYHFREGNHHN-UHFFFAOYSA-N 1 1 306.322 1.848 20 5 DDBDMO [NH3+]C1(c2cccnc2)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992058 762165708 /nfs/dbraw/zinc/16/57/08/762165708.db2.gz JFHAJNCAOBBSHF-HIFRSBDPSA-N 1 1 304.394 1.777 20 5 DDBDMO O=C1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCN12 ZINC001169010277 762177939 /nfs/dbraw/zinc/17/79/39/762177939.db2.gz CCIKQPDPOMNBPE-ZENOOKHLSA-N 1 1 315.373 1.945 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169017562 762198223 /nfs/dbraw/zinc/19/82/23/762198223.db2.gz AOKLOEYQEHEVGY-VHDGCEQUSA-N 1 1 322.409 1.801 20 5 DDBDMO CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048632668 769597198 /nfs/dbraw/zinc/59/71/98/769597198.db2.gz SFQOMSNOTFQSJE-OKILXGFUSA-N 1 1 303.362 1.895 20 5 DDBDMO CCCC1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001133458320 769860558 /nfs/dbraw/zinc/86/05/58/769860558.db2.gz SEMHMNLHMCHTBE-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO Cc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC001148855629 773617859 /nfs/dbraw/zinc/61/78/59/773617859.db2.gz LUCQYABKHAAUDT-UHFFFAOYSA-N 1 1 317.349 1.156 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093642076 774939635 /nfs/dbraw/zinc/93/96/35/774939635.db2.gz JIUQTWJRTPECOZ-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-])C1CCC1 ZINC001094221807 775543856 /nfs/dbraw/zinc/54/38/56/775543856.db2.gz RMKJDOXGUJZDIE-UHFFFAOYSA-N 1 1 324.356 1.746 20 5 DDBDMO CC[N@H+](CCNC(=O)c1ccon1)Cc1ccccc1[N+](=O)[O-] ZINC001267238566 837583097 /nfs/dbraw/zinc/58/30/97/837583097.db2.gz OZJUUDGNJPBWIG-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccon1)Cc1ccccc1[N+](=O)[O-] ZINC001267238566 837583100 /nfs/dbraw/zinc/58/31/00/837583100.db2.gz OZJUUDGNJPBWIG-UHFFFAOYSA-N 1 1 318.333 1.835 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC001266560589 836470232 /nfs/dbraw/zinc/47/02/32/836470232.db2.gz SEPWDTQHMVUJMQ-VXGBXAGGSA-N 1 1 319.352 1.525 20 5 DDBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC001266560589 836470240 /nfs/dbraw/zinc/47/02/40/836470240.db2.gz SEPWDTQHMVUJMQ-VXGBXAGGSA-N 1 1 319.352 1.525 20 5 DDBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC001266560589 836470243 /nfs/dbraw/zinc/47/02/43/836470243.db2.gz SEPWDTQHMVUJMQ-VXGBXAGGSA-N 1 1 319.352 1.525 20 5 DDBDMO CC(C)OCC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001268703116 840691006 /nfs/dbraw/zinc/69/10/06/840691006.db2.gz IZTOFFNDHMCWIF-UHFFFAOYSA-N 1 1 321.377 1.568 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001150119812 862099318 /nfs/dbraw/zinc/09/93/18/862099318.db2.gz LJLLJXDRMCAQIV-LKFCYVNXSA-N 1 1 304.350 1.390 20 5 DDBDMO CC(C)[N@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001123508018 859271528 /nfs/dbraw/zinc/27/15/28/859271528.db2.gz USKSLRQDRCYWOA-UHFFFAOYSA-N 1 1 322.413 1.385 20 5 DDBDMO CC(C)[C@]1(CO)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001325875294 860910525 /nfs/dbraw/zinc/91/05/25/860910525.db2.gz UILNHUPTGUHFSQ-HZPDHXFCSA-N 1 1 308.378 1.969 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001157259095 863688636 /nfs/dbraw/zinc/68/86/36/863688636.db2.gz CQCIZUODGUGMID-ZWNOBZJWSA-N 1 1 320.349 1.307 20 5 DDBDMO CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C1CN(C)C1 ZINC001157456616 863831473 /nfs/dbraw/zinc/83/14/73/863831473.db2.gz SABZBGQLVUQUOQ-VOTSOKGWSA-N 1 1 305.382 1.662 20 5 DDBDMO C[N@@H+](CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001330235317 864177800 /nfs/dbraw/zinc/17/78/00/864177800.db2.gz BMXWAJUIZVQNJC-UHFFFAOYSA-N 1 1 304.350 1.714 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154022541 864331081 /nfs/dbraw/zinc/33/10/81/864331081.db2.gz LBJNKABUFLTMNJ-YUMQZZPRSA-N 1 1 313.745 1.280 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001330570310 864458059 /nfs/dbraw/zinc/45/80/59/864458059.db2.gz AESZOOKKNROUAC-KYOSRNDESA-N 1 1 321.377 1.569 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3CC[C@H]3C2)nn1 ZINC001158430068 864650673 /nfs/dbraw/zinc/65/06/73/864650673.db2.gz AUENFEDYXJOSCL-LBPRGKRZSA-N 1 1 311.345 1.946 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@H](O)C(F)(F)F)ncc1[N+](=O)[O-] ZINC001158542397 864715328 /nfs/dbraw/zinc/71/53/28/864715328.db2.gz FTRNROLFUOUFEC-FSIBCCDJSA-N 1 1 320.271 1.857 20 5 DDBDMO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277055341 881909987 /nfs/dbraw/zinc/90/99/87/881909987.db2.gz ODZGVMHYYHEKSE-ZIAGYGMSSA-N 1 1 303.362 1.399 20 5 DDBDMO COc1c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001321043544 867257790 /nfs/dbraw/zinc/25/77/90/867257790.db2.gz SSDMQDCDWKYZBJ-GFCCVEGCSA-N 1 1 319.361 1.914 20 5 DDBDMO Cc1nn(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001334748336 867809233 /nfs/dbraw/zinc/80/92/33/867809233.db2.gz OSEVXSJYWMIWHO-MJBXVCDLSA-N 1 1 307.398 1.719 20 5 DDBDMO COc1ncnc(NCC[C@@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001162810282 867843735 /nfs/dbraw/zinc/84/37/35/867843735.db2.gz KEHSYCLPSYRFEC-QMMMGPOBSA-N 1 1 317.296 1.440 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001336836577 869174137 /nfs/dbraw/zinc/17/41/37/869174137.db2.gz IOTRVKKINRNRJA-AAEUAGOBSA-N 1 1 308.407 1.712 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2cncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494232 869232722 /nfs/dbraw/zinc/23/27/22/869232722.db2.gz AJEFGVZRZVQSPN-VXGBXAGGSA-N 1 1 324.406 1.184 20 5 DDBDMO CC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494924 869233499 /nfs/dbraw/zinc/23/34/99/869233499.db2.gz YNNIGXHLCIXAQW-JHZNUDOXSA-N 1 1 309.410 1.884 20 5 DDBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339266723 870430508 /nfs/dbraw/zinc/43/05/08/870430508.db2.gz VXWKGQCZUCTSJX-GFCCVEGCSA-N 1 1 307.350 1.818 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1[NH2+]CCc2occc21 ZINC001339960906 870808330 /nfs/dbraw/zinc/80/83/30/870808330.db2.gz WLEVZKUQYZPULH-AWEZNQCLSA-N 1 1 301.302 1.691 20 5 DDBDMO Cc1[nH]c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c(C)[nH+]1 ZINC001307319287 871419527 /nfs/dbraw/zinc/41/95/27/871419527.db2.gz CMZGXTTWYZFFEQ-UHFFFAOYSA-N 1 1 315.289 1.800 20 5 DDBDMO COc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001316823114 872116995 /nfs/dbraw/zinc/11/69/95/872116995.db2.gz CNPVFBOWYNYNCZ-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO COc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001316823114 872117000 /nfs/dbraw/zinc/11/70/00/872117000.db2.gz CNPVFBOWYNYNCZ-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO COc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001316823114 872117004 /nfs/dbraw/zinc/11/70/04/872117004.db2.gz CNPVFBOWYNYNCZ-HUUCEWRRSA-N 1 1 321.377 1.299 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001344019077 872837201 /nfs/dbraw/zinc/83/72/01/872837201.db2.gz RQJUTHHKTJLXGJ-PHIMTYICSA-N 1 1 304.350 1.270 20 5 DDBDMO COCC[NH2+]Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC001345956551 873570934 /nfs/dbraw/zinc/57/09/34/873570934.db2.gz DGDFVUWTBXUIHT-UHFFFAOYSA-N 1 1 306.322 1.998 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001351794317 876436254 /nfs/dbraw/zinc/43/62/54/876436254.db2.gz MJVUHJWKMRCGBX-UHFFFAOYSA-N 1 1 319.409 1.514 20 5 DDBDMO O=C([C@@H]1[NH2+]CCc2occc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001353395012 877297527 /nfs/dbraw/zinc/29/75/27/877297527.db2.gz WMJWTPDOMJESDI-OAHLLOKOSA-N 1 1 313.313 1.917 20 5 DDBDMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC001472059018 877630728 /nfs/dbraw/zinc/63/07/28/877630728.db2.gz RQPYGYMVEUITRT-ZDUSSCGKSA-N 1 1 306.366 1.637 20 5 DDBDMO COc1ccc(CC(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001353895727 877635356 /nfs/dbraw/zinc/63/53/56/877635356.db2.gz WHGZUBQHMLMDGQ-CYBMUJFWSA-N 1 1 321.377 1.746 20 5 DDBDMO CC[N@H+]1CC[C@H](OCc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001223449767 880966986 /nfs/dbraw/zinc/96/69/86/880966986.db2.gz GTWKJWITLIWEKS-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCn1cc[nH+]c1C ZINC001292410324 913665828 /nfs/dbraw/zinc/66/58/28/913665828.db2.gz JATVRPCFNLXFCA-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1N ZINC001246562396 892702106 /nfs/dbraw/zinc/70/21/06/892702106.db2.gz MIHSBMROIOUPIG-MLGOLLRUSA-N 1 1 304.394 1.843 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1N ZINC001246562396 892702112 /nfs/dbraw/zinc/70/21/12/892702112.db2.gz MIHSBMROIOUPIG-MLGOLLRUSA-N 1 1 304.394 1.843 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001262652333 900287089 /nfs/dbraw/zinc/28/70/89/900287089.db2.gz CXAYTRVUFRXTPU-CYBMUJFWSA-N 1 1 320.393 1.997 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248453910 282084481 /nfs/dbraw/zinc/08/44/81/282084481.db2.gz KDVUQCYUCGMXRW-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248453910 282084486 /nfs/dbraw/zinc/08/44/86/282084486.db2.gz KDVUQCYUCGMXRW-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278503520 214196369 /nfs/dbraw/zinc/19/63/69/214196369.db2.gz VVHBUINZYQHHKX-HNNXBMFYSA-N 1 1 303.362 1.880 20 5 DDBDMO COCC[N@@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278524895 214211379 /nfs/dbraw/zinc/21/13/79/214211379.db2.gz ZITUTPAGKKLXPV-UHFFFAOYSA-N 1 1 322.287 1.999 20 5 DDBDMO COC[C@H](C)OC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513716 214203325 /nfs/dbraw/zinc/20/33/25/214203325.db2.gz FJLDQMLXMSZKAJ-GXTWGEPZSA-N 1 1 312.366 1.439 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249499775 282161355 /nfs/dbraw/zinc/16/13/55/282161355.db2.gz ICOIXYYZYNDWIM-KGLIPLIRSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263370 529481475 /nfs/dbraw/zinc/48/14/75/529481475.db2.gz YUTPSTXYJUQYIG-HZSPNIEDSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000452072220 231291036 /nfs/dbraw/zinc/29/10/36/231291036.db2.gz WIVAFEZXICPFTG-FZMZJTMJSA-N 1 1 321.377 1.935 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000331844452 529804433 /nfs/dbraw/zinc/80/44/33/529804433.db2.gz UCVZSXPOONHHRC-SNVBAGLBSA-N 1 1 302.334 1.758 20 5 DDBDMO CCc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000266883388 282303488 /nfs/dbraw/zinc/30/34/88/282303488.db2.gz COYXFXMQPAGRHS-CQSZACIVSA-N 1 1 320.393 1.133 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000183357209 199579921 /nfs/dbraw/zinc/57/99/21/199579921.db2.gz LOEFWJROOHZNNS-GFCCVEGCSA-N 1 1 313.379 1.027 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000183357209 199579923 /nfs/dbraw/zinc/57/99/23/199579923.db2.gz LOEFWJROOHZNNS-GFCCVEGCSA-N 1 1 313.379 1.027 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000279757547 215121183 /nfs/dbraw/zinc/12/11/83/215121183.db2.gz ACFCCODOJHHAJV-CMDGGOBGSA-N 1 1 301.346 1.986 20 5 DDBDMO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000279929631 215246705 /nfs/dbraw/zinc/24/67/05/215246705.db2.gz WQMCUTCIVWBCPI-ZDUSSCGKSA-N 1 1 308.334 1.664 20 5 DDBDMO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000279929631 215246709 /nfs/dbraw/zinc/24/67/09/215246709.db2.gz WQMCUTCIVWBCPI-ZDUSSCGKSA-N 1 1 308.334 1.664 20 5 DDBDMO CC[N@@H+](CCNC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171508888 186170220 /nfs/dbraw/zinc/17/02/20/186170220.db2.gz FVIUJPJQOPTEOL-UHFFFAOYSA-N 1 1 321.377 1.964 20 5 DDBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000045032676 352400227 /nfs/dbraw/zinc/40/02/27/352400227.db2.gz HIRCZMIFNCUBQJ-UHFFFAOYSA-N 1 1 314.345 1.711 20 5 DDBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000045032676 352400231 /nfs/dbraw/zinc/40/02/31/352400231.db2.gz HIRCZMIFNCUBQJ-UHFFFAOYSA-N 1 1 314.345 1.711 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065675191 352958139 /nfs/dbraw/zinc/95/81/39/352958139.db2.gz XOGZHPKFVRGPIG-NEPJUHHUSA-N 1 1 309.370 1.028 20 5 DDBDMO C[N@@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000066924216 353026046 /nfs/dbraw/zinc/02/60/46/353026046.db2.gz HRNLPCIZNZDHCC-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO C[N@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000066924216 353026047 /nfs/dbraw/zinc/02/60/47/353026047.db2.gz HRNLPCIZNZDHCC-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO C[N@@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000066924216 353026049 /nfs/dbraw/zinc/02/60/49/353026049.db2.gz HRNLPCIZNZDHCC-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000068118528 353090040 /nfs/dbraw/zinc/09/00/40/353090040.db2.gz HDUTYEPVCRTIJZ-STQMWFEESA-N 1 1 323.397 1.418 20 5 DDBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCN2CCOCC2)CC1 ZINC000070979103 353188445 /nfs/dbraw/zinc/18/84/45/353188445.db2.gz FCDRAUCTMAFJTI-UHFFFAOYSA-N 1 1 320.393 1.049 20 5 DDBDMO O=C1C[C@]2(CN1)CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000072829607 353218221 /nfs/dbraw/zinc/21/82/21/353218221.db2.gz LPDRYUVCIAXNGD-INIZCTEOSA-N 1 1 319.361 1.576 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000174285688 198315868 /nfs/dbraw/zinc/31/58/68/198315868.db2.gz IBVQYERAMSWKOL-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000174285688 198315869 /nfs/dbraw/zinc/31/58/69/198315869.db2.gz IBVQYERAMSWKOL-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO Cc1cc(N2CCC[N@@H+](CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074747467 353328299 /nfs/dbraw/zinc/32/82/99/353328299.db2.gz MZFYZXZMYOAFFP-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO Cc1cc(N2CCC[N@H+](CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074747467 353328301 /nfs/dbraw/zinc/32/83/01/353328301.db2.gz MZFYZXZMYOAFFP-UHFFFAOYSA-N 1 1 307.398 1.372 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000080611189 353617999 /nfs/dbraw/zinc/61/79/99/353617999.db2.gz IKWGTFMBAMGEAI-CYBMUJFWSA-N 1 1 322.409 1.789 20 5 DDBDMO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000084259674 353719250 /nfs/dbraw/zinc/71/92/50/353719250.db2.gz CBXNSHIHRSKCQV-HOTGVXAUSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000088724449 353757876 /nfs/dbraw/zinc/75/78/76/353757876.db2.gz KUIUSGIBEZXXNG-UHFFFAOYSA-N 1 1 301.350 1.963 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000093332119 353895591 /nfs/dbraw/zinc/89/55/91/353895591.db2.gz DZSQEQUULCUGQU-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000093332119 353895595 /nfs/dbraw/zinc/89/55/95/353895595.db2.gz DZSQEQUULCUGQU-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108299431 353949643 /nfs/dbraw/zinc/94/96/43/353949643.db2.gz IZGNSAOMMZAHLV-CQSZACIVSA-N 1 1 303.362 1.738 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000305690722 354470667 /nfs/dbraw/zinc/47/06/67/354470667.db2.gz BBWCUSVSXPPPPV-CQSZACIVSA-N 1 1 307.350 1.626 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000589503314 354998005 /nfs/dbraw/zinc/99/80/05/354998005.db2.gz RFSQEXSHCSMIDI-MRXNPFEDSA-N 1 1 320.345 1.994 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590010375 355039027 /nfs/dbraw/zinc/03/90/27/355039027.db2.gz CIDCVFWUCWCRRI-WFASDCNBSA-N 1 1 318.377 1.478 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590010692 355040563 /nfs/dbraw/zinc/04/05/63/355040563.db2.gz OTTZBKPGGDFLLC-TZMCWYRMSA-N 1 1 318.377 1.478 20 5 DDBDMO COc1cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000590011040 355040840 /nfs/dbraw/zinc/04/08/40/355040840.db2.gz GHOUWWSSBDIVIL-YGRLFVJLSA-N 1 1 309.341 1.878 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392243 355084104 /nfs/dbraw/zinc/08/41/04/355084104.db2.gz KHCAXWNJJGGOTL-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000590554879 355112759 /nfs/dbraw/zinc/11/27/59/355112759.db2.gz IZTLJYMCJUYPDG-LLVKDONJSA-N 1 1 323.349 1.513 20 5 DDBDMO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000590566933 355115069 /nfs/dbraw/zinc/11/50/69/355115069.db2.gz SVJYMRHYZUMJDY-RNCFNFMXSA-N 1 1 317.349 1.636 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC(C[NH+]2CCOCC2)C1 ZINC000590567679 355115773 /nfs/dbraw/zinc/11/57/73/355115773.db2.gz BIIRJGAQPWIRAM-UHFFFAOYSA-N 1 1 312.757 1.412 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972411 355227276 /nfs/dbraw/zinc/22/72/76/355227276.db2.gz QUANIECLBTVHRC-INWMFGNUSA-N 1 1 322.361 1.445 20 5 DDBDMO C[N@H+]1CC[C@H](Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000592349566 355564163 /nfs/dbraw/zinc/56/41/63/355564163.db2.gz GKUGKDQXDGANSV-JTQLQIEISA-N 1 1 304.306 1.363 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071882 355787363 /nfs/dbraw/zinc/78/73/63/355787363.db2.gz VMYXVCQUPFIUKS-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107649 355800233 /nfs/dbraw/zinc/80/02/33/355800233.db2.gz LZSFWKCNOSWICL-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107649 355800234 /nfs/dbraw/zinc/80/02/34/355800234.db2.gz LZSFWKCNOSWICL-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000593424997 355881714 /nfs/dbraw/zinc/88/17/14/355881714.db2.gz WBYMSAQZRLSGQL-UHFFFAOYSA-N 1 1 307.325 1.583 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594575374 356253378 /nfs/dbraw/zinc/25/33/78/356253378.db2.gz FJBRDEJNUGYGRL-LBPRGKRZSA-N 1 1 324.381 1.280 20 5 DDBDMO CC(C)Oc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594575374 356253382 /nfs/dbraw/zinc/25/33/82/356253382.db2.gz FJBRDEJNUGYGRL-LBPRGKRZSA-N 1 1 324.381 1.280 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000595011339 356372063 /nfs/dbraw/zinc/37/20/63/356372063.db2.gz HDPFPLKKBLKDMO-MFKMUULPSA-N 1 1 307.350 1.875 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326048 356449858 /nfs/dbraw/zinc/44/98/58/356449858.db2.gz ILYSOYQCKQPKEW-LBPRGKRZSA-N 1 1 310.354 1.045 20 5 DDBDMO Cc1noc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326048 356449862 /nfs/dbraw/zinc/44/98/62/356449862.db2.gz ILYSOYQCKQPKEW-LBPRGKRZSA-N 1 1 310.354 1.045 20 5 DDBDMO CC[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000595535541 356538221 /nfs/dbraw/zinc/53/82/21/356538221.db2.gz HBYFIXNVSDTIEY-CYBMUJFWSA-N 1 1 308.382 1.173 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1COCCO1 ZINC000595744939 356632022 /nfs/dbraw/zinc/63/20/22/356632022.db2.gz WJBFRGARQPGQTO-RISCZKNCSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1COCCO1 ZINC000595744939 356632026 /nfs/dbraw/zinc/63/20/26/356632026.db2.gz WJBFRGARQPGQTO-RISCZKNCSA-N 1 1 323.349 1.269 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595762101 356641875 /nfs/dbraw/zinc/64/18/75/356641875.db2.gz ZYDPHSWCRAVKSJ-MLGOLLRUSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595762101 356641876 /nfs/dbraw/zinc/64/18/76/356641876.db2.gz ZYDPHSWCRAVKSJ-MLGOLLRUSA-N 1 1 319.361 1.810 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C ZINC000596176406 356803027 /nfs/dbraw/zinc/80/30/27/356803027.db2.gz FVCYCRMVWFQOGI-GHMZBOCLSA-N 1 1 306.366 1.613 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596257506 356835028 /nfs/dbraw/zinc/83/50/28/356835028.db2.gz PCUWOVRNECHJDS-NSHDSACASA-N 1 1 306.366 1.614 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000596499064 356898202 /nfs/dbraw/zinc/89/82/02/356898202.db2.gz MDFIEPGTTUEJLM-GFCCVEGCSA-N 1 1 306.366 1.775 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514828 356902438 /nfs/dbraw/zinc/90/24/38/356902438.db2.gz KDMGXFKYCPIBLJ-VXGBXAGGSA-N 1 1 321.381 1.384 20 5 DDBDMO COc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC000276883442 213154150 /nfs/dbraw/zinc/15/41/50/213154150.db2.gz SNWYRSFXPSTEKU-UHFFFAOYSA-N 1 1 319.361 1.904 20 5 DDBDMO O=C(NCC12CCC[NH+]1CCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597586652 357239871 /nfs/dbraw/zinc/23/98/71/357239871.db2.gz FYBIAIXKVSJHPD-UHFFFAOYSA-N 1 1 305.334 1.659 20 5 DDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000597944462 357394251 /nfs/dbraw/zinc/39/42/51/357394251.db2.gz CYTDSSJHSUHBJI-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000598626351 357660063 /nfs/dbraw/zinc/66/00/63/357660063.db2.gz AYLBBXZCFJNSEZ-QMMMGPOBSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000598626351 357660068 /nfs/dbraw/zinc/66/00/68/357660068.db2.gz AYLBBXZCFJNSEZ-QMMMGPOBSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000598626351 357660070 /nfs/dbraw/zinc/66/00/70/357660070.db2.gz AYLBBXZCFJNSEZ-QMMMGPOBSA-N 1 1 317.305 1.469 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598648526 357668961 /nfs/dbraw/zinc/66/89/61/357668961.db2.gz UCQWXYUOKGHQGN-HZSPNIEDSA-N 1 1 324.377 1.285 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000179397625 199027830 /nfs/dbraw/zinc/02/78/30/199027830.db2.gz AYUQMGYPONJATK-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO CNC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179413440 199031208 /nfs/dbraw/zinc/03/12/08/199031208.db2.gz HJRQPNXGZBBQSK-UHFFFAOYSA-N 1 1 317.292 1.764 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179413440 199031209 /nfs/dbraw/zinc/03/12/09/199031209.db2.gz HJRQPNXGZBBQSK-UHFFFAOYSA-N 1 1 317.292 1.764 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCC[C@@H]21 ZINC000599661222 358013554 /nfs/dbraw/zinc/01/35/54/358013554.db2.gz TVCUSCRLCKCBBO-JHJVBQTASA-N 1 1 322.365 1.455 20 5 DDBDMO Cc1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599695556 358029981 /nfs/dbraw/zinc/02/99/81/358029981.db2.gz MWHITPZXABXGOX-LBPRGKRZSA-N 1 1 308.338 1.091 20 5 DDBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600068471 358113934 /nfs/dbraw/zinc/11/39/34/358113934.db2.gz DDZZTLWLYCQLQR-UHFFFAOYSA-N 1 1 323.324 1.327 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600313739 358192739 /nfs/dbraw/zinc/19/27/39/358192739.db2.gz JOBPLGAMVBCFBV-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2COCC[NH2+]2)o1 ZINC000600677936 358280529 /nfs/dbraw/zinc/28/05/29/358280529.db2.gz LQOPDIGPWLDLKA-GFCCVEGCSA-N 1 1 317.345 1.933 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC000601115800 358408429 /nfs/dbraw/zinc/40/84/29/358408429.db2.gz CGYCLGUSIHKEKC-ZDUSSCGKSA-N 1 1 323.372 1.345 20 5 DDBDMO CN1CCC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000601125893 358412223 /nfs/dbraw/zinc/41/22/23/358412223.db2.gz RLLLUUVABYEBKU-CQSZACIVSA-N 1 1 300.318 1.598 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000601154583 358424815 /nfs/dbraw/zinc/42/48/15/358424815.db2.gz PGOXPBSBVUDECJ-OCAPTIKFSA-N 1 1 319.287 1.345 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CC[C@@H](CO)O3)c2c1 ZINC000601168272 358430489 /nfs/dbraw/zinc/43/04/89/358430489.db2.gz UHMVJLLTPYCBKN-NEPJUHHUSA-N 1 1 303.318 1.517 20 5 DDBDMO O=C1NCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602705410 359136037 /nfs/dbraw/zinc/13/60/37/359136037.db2.gz LRWKURZKOMYJNY-ZETCQYMHSA-N 1 1 320.168 1.397 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000602840408 359229980 /nfs/dbraw/zinc/22/99/80/359229980.db2.gz MWBQJCRIZMZUJH-HNNXBMFYSA-N 1 1 318.377 1.635 20 5 DDBDMO CC[NH+]1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198033 /nfs/dbraw/zinc/19/80/33/359198033.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198038 /nfs/dbraw/zinc/19/80/38/359198038.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198042 /nfs/dbraw/zinc/19/80/42/359198042.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 1 1 309.414 1.762 20 5 DDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198047 /nfs/dbraw/zinc/19/80/47/359198047.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198049 /nfs/dbraw/zinc/19/80/49/359198049.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 1 1 309.414 1.762 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198055 /nfs/dbraw/zinc/19/80/55/359198055.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 1 1 309.414 1.762 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000602796886 359199170 /nfs/dbraw/zinc/19/91/70/359199170.db2.gz ALCHBFJFLALGSF-KGLIPLIRSA-N 1 1 308.382 1.848 20 5 DDBDMO CCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000602959758 359322989 /nfs/dbraw/zinc/32/29/89/359322989.db2.gz FUJNKGFHRZJZBE-NSHDSACASA-N 1 1 307.354 1.278 20 5 DDBDMO CO[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@](C)(CO)C1 ZINC000602964531 359327516 /nfs/dbraw/zinc/32/75/16/359327516.db2.gz QZKMVBBUWMCDFW-HUUCEWRRSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H]1C(C)(C)C ZINC000603144069 359433408 /nfs/dbraw/zinc/43/34/08/359433408.db2.gz VQENQIOOQQLVDV-LBPRGKRZSA-N 1 1 322.365 1.498 20 5 DDBDMO Cc1nn(C)c(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000603401244 359617593 /nfs/dbraw/zinc/61/75/93/359617593.db2.gz KLAPQGZBMONJCR-LLVKDONJSA-N 1 1 323.397 1.326 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092537 360621242 /nfs/dbraw/zinc/62/12/42/360621242.db2.gz YCXOVAUXQWYFGX-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611560748 360760170 /nfs/dbraw/zinc/76/01/70/360760170.db2.gz MLOODOMKHJNHOU-CQSZACIVSA-N 1 1 316.361 1.780 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000281389961 216266784 /nfs/dbraw/zinc/26/67/84/216266784.db2.gz GGBLTGDWLZNXDJ-QWRGUYRKSA-N 1 1 319.365 1.362 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271894686 209302728 /nfs/dbraw/zinc/30/27/28/209302728.db2.gz FMEDUKSZLQKOHW-UHFFFAOYSA-N 1 1 320.349 1.987 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000612589973 361075395 /nfs/dbraw/zinc/07/53/95/361075395.db2.gz FLKNFBMWDIWPML-UYWPIULCSA-N 1 1 303.362 1.624 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000612589973 361075399 /nfs/dbraw/zinc/07/53/99/361075399.db2.gz FLKNFBMWDIWPML-UYWPIULCSA-N 1 1 303.362 1.624 20 5 DDBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349242782 283880976 /nfs/dbraw/zinc/88/09/76/283880976.db2.gz PBJQHWWUCIXUMH-WDEREUQCSA-N 1 1 307.306 1.673 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000264615139 204029583 /nfs/dbraw/zinc/02/95/83/204029583.db2.gz QPCNBJVRHXMAHW-SECBINFHSA-N 1 1 307.354 1.094 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000288260251 220048397 /nfs/dbraw/zinc/04/83/97/220048397.db2.gz FMVSWVIRKSXUCF-LLVKDONJSA-N 1 1 309.370 1.042 20 5 DDBDMO CO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000267810299 206297774 /nfs/dbraw/zinc/29/77/74/206297774.db2.gz MRRZCRWZOJDWOA-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284481188 218044530 /nfs/dbraw/zinc/04/45/30/218044530.db2.gz AWCVUDAWKDAUMK-ZBFHGGJFSA-N 1 1 321.377 1.379 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000338583385 250039301 /nfs/dbraw/zinc/03/93/01/250039301.db2.gz ZFYFCMUPCNVMDP-NSHDSACASA-N 1 1 319.361 1.960 20 5 DDBDMO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000105827364 194138819 /nfs/dbraw/zinc/13/88/19/194138819.db2.gz XGBSDKIGFSONRA-YPMHNXCESA-N 1 1 313.423 1.933 20 5 DDBDMO COCC[N@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000061376323 184169592 /nfs/dbraw/zinc/16/95/92/184169592.db2.gz RPKYHLDMUHVZLJ-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO COCC[N@@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000061376323 184169593 /nfs/dbraw/zinc/16/95/93/184169593.db2.gz RPKYHLDMUHVZLJ-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO O=C(NCC[NH+]1CCCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269103308 207242035 /nfs/dbraw/zinc/24/20/35/207242035.db2.gz AOFVNCPYCJUMOW-UHFFFAOYSA-N 1 1 307.350 1.906 20 5 DDBDMO C[N@@H+]1CCO[C@H](CSc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000567767240 304241116 /nfs/dbraw/zinc/24/11/16/304241116.db2.gz GIZLLVPFCSXBSU-JTQLQIEISA-N 1 1 320.374 1.961 20 5 DDBDMO C[N@H+]1CCO[C@H](CSc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000567767240 304241119 /nfs/dbraw/zinc/24/11/19/304241119.db2.gz GIZLLVPFCSXBSU-JTQLQIEISA-N 1 1 320.374 1.961 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417933 285037526 /nfs/dbraw/zinc/03/75/26/285037526.db2.gz WHRRDHIYLSHZOJ-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](CCO)CC1CC1 ZINC000352458683 285063997 /nfs/dbraw/zinc/06/39/97/285063997.db2.gz NSMWTTMUZFJJFM-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](O)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156258867 197099605 /nfs/dbraw/zinc/09/96/05/197099605.db2.gz JGSYEFRZOVFTPH-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156258867 197099607 /nfs/dbraw/zinc/09/96/07/197099607.db2.gz JGSYEFRZOVFTPH-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000156258737 197099684 /nfs/dbraw/zinc/09/96/84/197099684.db2.gz VTKPJYOJPIIESW-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000156258737 197099687 /nfs/dbraw/zinc/09/96/87/197099687.db2.gz VTKPJYOJPIIESW-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352687914 285228410 /nfs/dbraw/zinc/22/84/10/285228410.db2.gz ACFUCHFWQHXUSX-QWHCGFSZSA-N 1 1 323.349 1.387 20 5 DDBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[C@H]1O ZINC000352692827 285232509 /nfs/dbraw/zinc/23/25/09/285232509.db2.gz GZAWORRXVKCKKC-UONOGXRCSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H](O)C[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289802995 221237373 /nfs/dbraw/zinc/23/73/73/221237373.db2.gz NBOSDIXLCXIIMJ-LLVKDONJSA-N 1 1 321.333 1.425 20 5 DDBDMO C[C@@H](O)C[N@@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289802995 221237376 /nfs/dbraw/zinc/23/73/76/221237376.db2.gz NBOSDIXLCXIIMJ-LLVKDONJSA-N 1 1 321.333 1.425 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000569256644 304344332 /nfs/dbraw/zinc/34/43/32/304344332.db2.gz QUDJAGVOSZKERB-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052556121 407152358 /nfs/dbraw/zinc/15/23/58/407152358.db2.gz HOLXGRGRZUYEFY-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000055209810 407198363 /nfs/dbraw/zinc/19/83/63/407198363.db2.gz ATSBKNSUSSREGL-ZDUSSCGKSA-N 1 1 320.393 1.997 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000124500974 407359956 /nfs/dbraw/zinc/35/99/56/407359956.db2.gz YZFCDLXBUMBENU-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000106885830 407364933 /nfs/dbraw/zinc/36/49/33/407364933.db2.gz NWNDGKZSCPNNEC-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000125691769 407395378 /nfs/dbraw/zinc/39/53/78/407395378.db2.gz JWGRVHQASYQFNV-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725431 407487029 /nfs/dbraw/zinc/48/70/29/407487029.db2.gz QZVOVBDFJQJIKV-CMPLNLGQSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725431 407487038 /nfs/dbraw/zinc/48/70/38/407487038.db2.gz QZVOVBDFJQJIKV-CMPLNLGQSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000185725431 407487044 /nfs/dbraw/zinc/48/70/44/407487044.db2.gz QZVOVBDFJQJIKV-CMPLNLGQSA-N 1 1 323.397 1.683 20 5 DDBDMO CN(CCCN1CC[NH+](C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000266968360 407696386 /nfs/dbraw/zinc/69/63/86/407696386.db2.gz YUPDUPBTEZEWTL-UHFFFAOYSA-N 1 1 312.439 1.726 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000267248822 407806573 /nfs/dbraw/zinc/80/65/73/407806573.db2.gz GFBSVEKXBJOHPB-NWDGAFQWSA-N 1 1 304.350 1.534 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186993400 407807898 /nfs/dbraw/zinc/80/78/98/407807898.db2.gz OVSJZTDOVMRASZ-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCSC ZINC000134211573 407892619 /nfs/dbraw/zinc/89/26/19/407892619.db2.gz IMBJHIVFBBKIEM-UHFFFAOYSA-N 1 1 313.379 1.837 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCSC ZINC000134211573 407892623 /nfs/dbraw/zinc/89/26/23/407892623.db2.gz IMBJHIVFBBKIEM-UHFFFAOYSA-N 1 1 313.379 1.837 20 5 DDBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000181184835 407962424 /nfs/dbraw/zinc/96/24/24/407962424.db2.gz NXDVFILTVWYRNR-JQWIXIFHSA-N 1 1 306.366 1.636 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268162935 407924033 /nfs/dbraw/zinc/92/40/33/407924033.db2.gz ILSBHFSSDNCDSJ-GXFFZTMASA-N 1 1 319.361 1.816 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000190203318 408188838 /nfs/dbraw/zinc/18/88/38/408188838.db2.gz MWCASBDHCSCZOB-UHFFFAOYSA-N 1 1 314.292 1.493 20 5 DDBDMO C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000156654908 408269709 /nfs/dbraw/zinc/26/97/09/408269709.db2.gz FIMBZDGVSAXHPG-ZANVPECISA-N 1 1 317.349 1.671 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000273674899 408284233 /nfs/dbraw/zinc/28/42/33/408284233.db2.gz YDVNYZKTOZYGDU-NSHDSACASA-N 1 1 313.379 1.167 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246819612 408346964 /nfs/dbraw/zinc/34/69/64/408346964.db2.gz RHBTUNGJJKYYNF-IUODEOHRSA-N 1 1 305.378 1.936 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246844246 408354484 /nfs/dbraw/zinc/35/44/84/408354484.db2.gz UMHLTFHMGWLTJB-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246844246 408354490 /nfs/dbraw/zinc/35/44/90/408354490.db2.gz UMHLTFHMGWLTJB-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000171654129 162233487 /nfs/dbraw/zinc/23/34/87/162233487.db2.gz CTLVQBIUQQLGCY-UHFFFAOYSA-N 1 1 313.379 1.185 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000248359153 408549709 /nfs/dbraw/zinc/54/97/09/408549709.db2.gz RPJIKRUQQIEKCB-BMIGLBTASA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC000248359153 408549713 /nfs/dbraw/zinc/54/97/13/408549713.db2.gz RPJIKRUQQIEKCB-BMIGLBTASA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000248359154 408549933 /nfs/dbraw/zinc/54/99/33/408549933.db2.gz RPJIKRUQQIEKCB-BONVTDFDSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC000248359154 408549942 /nfs/dbraw/zinc/54/99/42/408549942.db2.gz RPJIKRUQQIEKCB-BONVTDFDSA-N 1 1 323.349 1.387 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177213560 408552348 /nfs/dbraw/zinc/55/23/48/408552348.db2.gz CNXGJJXMYGKGBZ-PWSUYJOCSA-N 1 1 321.381 1.231 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000248374766 408552707 /nfs/dbraw/zinc/55/27/07/408552707.db2.gz TYTJKUCFSCMHCS-CHWSQXEVSA-N 1 1 310.350 1.039 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000248446234 408569147 /nfs/dbraw/zinc/56/91/47/408569147.db2.gz WQRUBPNGLYTCSS-QWRGUYRKSA-N 1 1 321.381 1.422 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000248457538 408571379 /nfs/dbraw/zinc/57/13/79/408571379.db2.gz MKFVNZSTJWOKKL-ZIAGYGMSSA-N 1 1 324.377 1.835 20 5 DDBDMO CC1(O)CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000177299519 408575674 /nfs/dbraw/zinc/57/56/74/408575674.db2.gz BERRWWZETKAUEW-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184857658 408704352 /nfs/dbraw/zinc/70/43/52/408704352.db2.gz MHPIDPCBYKVJNI-LLVKDONJSA-N 1 1 321.381 1.518 20 5 DDBDMO Cc1c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249492434 408731629 /nfs/dbraw/zinc/73/16/29/408731629.db2.gz FNXHOTOTDUYEIS-CHWSQXEVSA-N 1 1 307.394 1.790 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270947485 408753957 /nfs/dbraw/zinc/75/39/57/408753957.db2.gz UNUWCRRTYYQEMK-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280840870 408843821 /nfs/dbraw/zinc/84/38/21/408843821.db2.gz XBCHDTHBKJUMRE-HNNXBMFYSA-N 1 1 307.350 1.691 20 5 DDBDMO C[N@H+](CCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000276390948 408848498 /nfs/dbraw/zinc/84/84/98/408848498.db2.gz MWAAWDOGMQRQLC-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[N@@H+](CCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000276390948 408848500 /nfs/dbraw/zinc/84/85/00/408848500.db2.gz MWAAWDOGMQRQLC-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000281830598 408936642 /nfs/dbraw/zinc/93/66/42/408936642.db2.gz MHIOJKRSFYIXMS-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000281830598 408936645 /nfs/dbraw/zinc/93/66/45/408936645.db2.gz MHIOJKRSFYIXMS-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO CCSCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245449878 163412328 /nfs/dbraw/zinc/41/23/28/163412328.db2.gz OCPWBMFZPPXVSR-DGCLKSJQSA-N 1 1 316.427 1.616 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000292005913 408962020 /nfs/dbraw/zinc/96/20/20/408962020.db2.gz RSKOLPSAYMEGEH-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCO1 ZINC000277619722 408978610 /nfs/dbraw/zinc/97/86/10/408978610.db2.gz QWGAUCABUBPVER-NSHDSACASA-N 1 1 310.354 1.154 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000287723360 409082411 /nfs/dbraw/zinc/08/24/11/409082411.db2.gz FKUQSNPAWRNZQE-ZJUUUORDSA-N 1 1 320.349 1.814 20 5 DDBDMO CC(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000278700075 409086090 /nfs/dbraw/zinc/08/60/90/409086090.db2.gz MVSSHPLXJQEMJG-UHFFFAOYSA-N 1 1 315.333 1.847 20 5 DDBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)[N@@H+]1C ZINC000293328650 409090365 /nfs/dbraw/zinc/09/03/65/409090365.db2.gz GILIUFRVYZQEER-TXEJJXNPSA-N 1 1 321.377 1.986 20 5 DDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293709209 409165973 /nfs/dbraw/zinc/16/59/73/409165973.db2.gz POKDAVJDBZUYIR-BXUZGUMPSA-N 1 1 307.350 1.122 20 5 DDBDMO CNC(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280174340 409263841 /nfs/dbraw/zinc/26/38/41/409263841.db2.gz HMINFFINQMPSHD-UHFFFAOYSA-N 1 1 304.350 1.628 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000284195882 409294294 /nfs/dbraw/zinc/29/42/94/409294294.db2.gz ZFXGDLQTEGTKKE-VHSXEESVSA-N 1 1 324.356 1.871 20 5 DDBDMO O=C(CC[N@@H+](C1CC1)C1COC1)Nc1ccccc1[N+](=O)[O-] ZINC000295563635 409349094 /nfs/dbraw/zinc/34/90/94/409349094.db2.gz YBVZJFXUTTXPHE-UHFFFAOYSA-N 1 1 305.334 1.787 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc2sccn21 ZINC000316905081 164024704 /nfs/dbraw/zinc/02/47/04/164024704.db2.gz XYHZFJRXEWLBRM-VHSXEESVSA-N 1 1 323.378 1.579 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000316971047 164025278 /nfs/dbraw/zinc/02/52/78/164025278.db2.gz ZUTZPVUIULXIKP-GFCCVEGCSA-N 1 1 307.350 1.912 20 5 DDBDMO COc1c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000356745521 409567395 /nfs/dbraw/zinc/56/73/95/409567395.db2.gz OJECNHLAZLKMMZ-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000296311650 409500036 /nfs/dbraw/zinc/50/00/36/409500036.db2.gz OEVHPXSPBSAWDC-INIZCTEOSA-N 1 1 322.361 1.915 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)n1 ZINC000285594904 409502674 /nfs/dbraw/zinc/50/26/74/409502674.db2.gz PGTGLWLFVMFPPE-NSHDSACASA-N 1 1 322.287 1.571 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356725561 409551726 /nfs/dbraw/zinc/55/17/26/409551726.db2.gz DSTOOFZDYMHJKQ-NSHDSACASA-N 1 1 318.337 1.138 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348947559 409602246 /nfs/dbraw/zinc/60/22/46/409602246.db2.gz JLUPVZQASZAZAD-OAHLLOKOSA-N 1 1 321.377 1.648 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000356793063 409612746 /nfs/dbraw/zinc/61/27/46/409612746.db2.gz MFDVNPIRHISQSJ-GHMZBOCLSA-N 1 1 306.366 1.483 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356843271 409654500 /nfs/dbraw/zinc/65/45/00/409654500.db2.gz GIBLQKDZLQTATP-OLZOCXBDSA-N 1 1 320.393 1.582 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356883934 409685849 /nfs/dbraw/zinc/68/58/49/409685849.db2.gz QOZPOKXFFUTXNZ-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356883934 409685854 /nfs/dbraw/zinc/68/58/54/409685854.db2.gz QOZPOKXFFUTXNZ-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@]1(O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000331651140 409735108 /nfs/dbraw/zinc/73/51/08/409735108.db2.gz MAMWMEURASMNDR-OAHLLOKOSA-N 1 1 321.333 1.350 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000332024447 409812318 /nfs/dbraw/zinc/81/23/18/409812318.db2.gz ZYTCQYXWZHDMCZ-BZUAXINKSA-N 1 1 306.362 1.957 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000332024447 409812326 /nfs/dbraw/zinc/81/23/26/409812326.db2.gz ZYTCQYXWZHDMCZ-BZUAXINKSA-N 1 1 306.362 1.957 20 5 DDBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052078 409818968 /nfs/dbraw/zinc/81/89/68/409818968.db2.gz QXMANWCXANSZMM-GHMZBOCLSA-N 1 1 307.354 1.027 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)C1 ZINC000346229487 409871325 /nfs/dbraw/zinc/87/13/25/409871325.db2.gz MBNUOODYTMMJMR-NHCYSSNCSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000320233251 409903133 /nfs/dbraw/zinc/90/31/33/409903133.db2.gz HQWCRHGZFNNQIQ-SFYZADRCSA-N 1 1 305.331 1.138 20 5 DDBDMO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000357308651 409967736 /nfs/dbraw/zinc/96/77/36/409967736.db2.gz WQTOKLLVZUTBRL-GHMZBOCLSA-N 1 1 321.381 1.764 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000338475727 410015718 /nfs/dbraw/zinc/01/57/18/410015718.db2.gz WZTCRNTXTAURJO-UHFFFAOYSA-N 1 1 323.397 1.646 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000357457085 410051322 /nfs/dbraw/zinc/05/13/22/410051322.db2.gz VAALKWLSJYAIDC-ZIAGYGMSSA-N 1 1 306.366 1.417 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000332394029 410121340 /nfs/dbraw/zinc/12/13/40/410121340.db2.gz WGXIXJWZDAEUKU-CVEARBPZSA-N 1 1 305.378 1.542 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000351720127 410182579 /nfs/dbraw/zinc/18/25/79/410182579.db2.gz MUSZUJHVEJGFRQ-UHFFFAOYSA-N 1 1 323.349 1.784 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC1(C)C ZINC000346914587 410244608 /nfs/dbraw/zinc/24/46/08/410244608.db2.gz YYIKSDXJAHEOLS-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000346914587 410244613 /nfs/dbraw/zinc/24/46/13/410244613.db2.gz YYIKSDXJAHEOLS-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346999106 410298902 /nfs/dbraw/zinc/29/89/02/410298902.db2.gz PCXYUSDBCOKDFI-LSDHHAIUSA-N 1 1 317.349 1.384 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CC[N@@H+](C)C1 ZINC000358132109 410379058 /nfs/dbraw/zinc/37/90/58/410379058.db2.gz GMFMLLZVKOZNFX-OAHLLOKOSA-N 1 1 309.366 1.150 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343437286 410450898 /nfs/dbraw/zinc/45/08/98/410450898.db2.gz KYKOCKJMZVDLRB-YGRLFVJLSA-N 1 1 309.341 1.875 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299069154 410506042 /nfs/dbraw/zinc/50/60/42/410506042.db2.gz OISGJUWUXRNRDP-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000352235566 410568602 /nfs/dbraw/zinc/56/86/02/410568602.db2.gz XCLXGDKRLJPDCR-GFCCVEGCSA-N 1 1 319.361 1.452 20 5 DDBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299330840 410588157 /nfs/dbraw/zinc/58/81/57/410588157.db2.gz JLYLPBPRXGPCKD-UHFFFAOYSA-N 1 1 306.366 1.243 20 5 DDBDMO CCNC(=O)C[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299330840 410588162 /nfs/dbraw/zinc/58/81/62/410588162.db2.gz JLYLPBPRXGPCKD-UHFFFAOYSA-N 1 1 306.366 1.243 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243513 410670104 /nfs/dbraw/zinc/67/01/04/410670104.db2.gz HGVHLLITUISMBA-VXGBXAGGSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337243513 410670107 /nfs/dbraw/zinc/67/01/07/410670107.db2.gz HGVHLLITUISMBA-VXGBXAGGSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343719439 410648451 /nfs/dbraw/zinc/64/84/51/410648451.db2.gz CZLLPQJUQRXBKB-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719439 410648458 /nfs/dbraw/zinc/64/84/58/410648458.db2.gz CZLLPQJUQRXBKB-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343719439 410648462 /nfs/dbraw/zinc/64/84/62/410648462.db2.gz CZLLPQJUQRXBKB-MGPQQGTHSA-N 1 1 323.393 1.359 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600203 410814232 /nfs/dbraw/zinc/81/42/32/410814232.db2.gz FQIZJXFWBXMKHV-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600203 410814240 /nfs/dbraw/zinc/81/42/40/410814240.db2.gz FQIZJXFWBXMKHV-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600203 410814246 /nfs/dbraw/zinc/81/42/46/410814246.db2.gz FQIZJXFWBXMKHV-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600203 410814249 /nfs/dbraw/zinc/81/42/49/410814249.db2.gz FQIZJXFWBXMKHV-UWVGGRQHSA-N 1 1 309.370 1.435 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000348176451 410839206 /nfs/dbraw/zinc/83/92/06/410839206.db2.gz SDCWTYFLOFKRBR-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000348176451 410839208 /nfs/dbraw/zinc/83/92/08/410839208.db2.gz SDCWTYFLOFKRBR-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000359816002 410897398 /nfs/dbraw/zinc/89/73/98/410897398.db2.gz VOVBIKKUMUTBED-INIZCTEOSA-N 1 1 324.377 1.965 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359816002 410897403 /nfs/dbraw/zinc/89/74/03/410897403.db2.gz VOVBIKKUMUTBED-INIZCTEOSA-N 1 1 324.377 1.965 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000353292748 410906622 /nfs/dbraw/zinc/90/66/22/410906622.db2.gz GFRMXPJQHQLTJJ-NSHDSACASA-N 1 1 309.370 1.654 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)nc2c1 ZINC000344041285 410915065 /nfs/dbraw/zinc/91/50/65/410915065.db2.gz IEIFVKSIBZPONF-GAFUQQFSSA-N 1 1 303.318 1.939 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000356286586 410943902 /nfs/dbraw/zinc/94/39/02/410943902.db2.gz XKNBSOVRYRPQOQ-UHFFFAOYSA-N 1 1 317.349 1.916 20 5 DDBDMO C[C@H](O)CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353528656 411049371 /nfs/dbraw/zinc/04/93/71/411049371.db2.gz OLRUYFITWCWUOA-FZMZJTMJSA-N 1 1 304.350 1.778 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000341837822 411069464 /nfs/dbraw/zinc/06/94/64/411069464.db2.gz GIUFMCKFBRFDNL-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000341837822 411069469 /nfs/dbraw/zinc/06/94/69/411069469.db2.gz GIUFMCKFBRFDNL-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000134119722 196363228 /nfs/dbraw/zinc/36/32/28/196363228.db2.gz IZJJGUPQFPVGAV-GFCCVEGCSA-N 1 1 307.350 1.293 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419000360 226001551 /nfs/dbraw/zinc/00/15/51/226001551.db2.gz OGAHVCDWMXBZHS-GHMZBOCLSA-N 1 1 319.365 1.362 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290903640 222007482 /nfs/dbraw/zinc/00/74/82/222007482.db2.gz VMGPUQCFVKOXRS-SNVBAGLBSA-N 1 1 309.370 1.621 20 5 DDBDMO CC[N@@H+](C[C@@H](C)OC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000291348788 222329888 /nfs/dbraw/zinc/32/98/88/222329888.db2.gz XQHMJHLNLMXWPD-OCCSQVGLSA-N 1 1 312.366 1.691 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000367836212 418642638 /nfs/dbraw/zinc/64/26/38/418642638.db2.gz RTQOLCUZXMFHDJ-WQAKAFBOSA-N 1 1 303.318 1.250 20 5 DDBDMO C[C@@H]1COCC[N@@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000352645459 418645100 /nfs/dbraw/zinc/64/51/00/418645100.db2.gz MDYRVWWCZQEJRK-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@@H]1COCC[N@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000352645459 418645102 /nfs/dbraw/zinc/64/51/02/418645102.db2.gz MDYRVWWCZQEJRK-GFCCVEGCSA-N 1 1 316.361 2.276 20 5 DDBDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000354501586 418647361 /nfs/dbraw/zinc/64/73/61/418647361.db2.gz FCHBBDZIADUZHJ-UHFFFAOYSA-N 1 1 310.317 2.491 20 5 DDBDMO Cc1ccc2c(c1)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000361848649 418718191 /nfs/dbraw/zinc/71/81/91/418718191.db2.gz AZLXRUAORUQNAY-INIZCTEOSA-N 1 1 316.361 1.519 20 5 DDBDMO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000370938555 418752031 /nfs/dbraw/zinc/75/20/31/418752031.db2.gz BFUBWUIXPRNQAS-CVSAEHQPSA-N 1 1 309.410 1.811 20 5 DDBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000370997494 418756118 /nfs/dbraw/zinc/75/61/18/418756118.db2.gz INPQNSPQKYHIRA-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000370997494 418756119 /nfs/dbraw/zinc/75/61/19/418756119.db2.gz INPQNSPQKYHIRA-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c2ncccc12 ZINC000371801216 418817014 /nfs/dbraw/zinc/81/70/14/418817014.db2.gz FKPXOFZUOZOMPO-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c2ncccc12 ZINC000371801216 418817016 /nfs/dbraw/zinc/81/70/16/418817016.db2.gz FKPXOFZUOZOMPO-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2ccncc21 ZINC000364879250 418819983 /nfs/dbraw/zinc/81/99/83/418819983.db2.gz CTEODIXXLXKUGK-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c2ccncc21 ZINC000364879250 418819984 /nfs/dbraw/zinc/81/99/84/418819984.db2.gz CTEODIXXLXKUGK-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000372298892 418852421 /nfs/dbraw/zinc/85/24/21/418852421.db2.gz STPWUEODGMSDLF-HNNXBMFYSA-N 1 1 312.329 1.906 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000372298892 418852423 /nfs/dbraw/zinc/85/24/23/418852423.db2.gz STPWUEODGMSDLF-HNNXBMFYSA-N 1 1 312.329 1.906 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000411179045 418876623 /nfs/dbraw/zinc/87/66/23/418876623.db2.gz BHUIFIVZWQEVEN-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO Cn1ccnc1[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000365633761 418886685 /nfs/dbraw/zinc/88/66/85/418886685.db2.gz WIWGCESWCKCTOQ-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000365633761 418886686 /nfs/dbraw/zinc/88/66/86/418886686.db2.gz WIWGCESWCKCTOQ-NSHDSACASA-N 1 1 304.354 1.441 20 5 DDBDMO Cc1cc(C2=CC[N@H+](CC(=O)N(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000365887566 418919606 /nfs/dbraw/zinc/91/96/06/418919606.db2.gz XDMSIVGZIHJJRW-UHFFFAOYSA-N 1 1 318.377 1.663 20 5 DDBDMO Cc1cc(C2=CC[N@@H+](CC(=O)N(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000365887566 418919608 /nfs/dbraw/zinc/91/96/08/418919608.db2.gz XDMSIVGZIHJJRW-UHFFFAOYSA-N 1 1 318.377 1.663 20 5 DDBDMO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000420944537 419372691 /nfs/dbraw/zinc/37/26/91/419372691.db2.gz SIJNLJSTZADROP-AWEZNQCLSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000420944537 419372697 /nfs/dbraw/zinc/37/26/97/419372697.db2.gz SIJNLJSTZADROP-AWEZNQCLSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000420998103 419433449 /nfs/dbraw/zinc/43/34/49/419433449.db2.gz HWFKNEPOUXGRKW-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411903816 419465205 /nfs/dbraw/zinc/46/52/05/419465205.db2.gz KXVFUKPIOQBMPH-LSDHHAIUSA-N 1 1 321.377 1.393 20 5 DDBDMO COC(=O)[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000411910619 419468700 /nfs/dbraw/zinc/46/87/00/419468700.db2.gz SLBXIWUVPZYWHL-TZMCWYRMSA-N 1 1 321.377 1.692 20 5 DDBDMO COC(=O)[C@]1(C)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412065340 419616877 /nfs/dbraw/zinc/61/68/77/419616877.db2.gz KRBCHJIJZFHECA-OAHLLOKOSA-N 1 1 323.349 1.032 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421704093 419689291 /nfs/dbraw/zinc/68/92/91/419689291.db2.gz NTQRGJOYUJFVFY-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO C[NH2+]CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414861621 419848233 /nfs/dbraw/zinc/84/82/33/419848233.db2.gz SIFZJKPEPIGLDN-UHFFFAOYSA-N 1 1 303.366 1.694 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430237705 420094592 /nfs/dbraw/zinc/09/45/92/420094592.db2.gz PKCYTMKOQBPCKU-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415665441 420140372 /nfs/dbraw/zinc/14/03/72/420140372.db2.gz VKIZWUZSVKBBCU-UHFFFAOYSA-N 1 1 318.280 1.709 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000430220981 420091699 /nfs/dbraw/zinc/09/16/99/420091699.db2.gz RFRZANMWEFCQRU-CYBMUJFWSA-N 1 1 312.391 1.903 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H]1CCO ZINC000430220981 420091703 /nfs/dbraw/zinc/09/17/03/420091703.db2.gz RFRZANMWEFCQRU-CYBMUJFWSA-N 1 1 312.391 1.903 20 5 DDBDMO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430214430 420092709 /nfs/dbraw/zinc/09/27/09/420092709.db2.gz ZGBKONBPJSKQSO-UHFFFAOYSA-N 1 1 308.334 1.988 20 5 DDBDMO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000420290197 420184044 /nfs/dbraw/zinc/18/40/44/420184044.db2.gz LMSPBEDFMLCXRQ-WFASDCNBSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CN ZINC000420290197 420184049 /nfs/dbraw/zinc/18/40/49/420184049.db2.gz LMSPBEDFMLCXRQ-WFASDCNBSA-N 1 1 320.393 1.983 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)CN ZINC000420298269 420189809 /nfs/dbraw/zinc/18/98/09/420189809.db2.gz ZUTYWVCRLGHROK-JTQLQIEISA-N 1 1 310.354 1.211 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)CN ZINC000420298269 420189814 /nfs/dbraw/zinc/18/98/14/420189814.db2.gz ZUTYWVCRLGHROK-JTQLQIEISA-N 1 1 310.354 1.211 20 5 DDBDMO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000420591465 420325131 /nfs/dbraw/zinc/32/51/31/420325131.db2.gz AERHAAXFAVQEIU-NSHDSACASA-N 1 1 322.365 1.074 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000420614223 420332374 /nfs/dbraw/zinc/33/23/74/420332374.db2.gz WKGNUKXTMAWMAZ-VIFPVBQESA-N 1 1 301.306 1.317 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000436009894 420301700 /nfs/dbraw/zinc/30/17/00/420301700.db2.gz WQFWEDXBHYCHOU-NWDGAFQWSA-N 1 1 319.361 1.960 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645142 230116334 /nfs/dbraw/zinc/11/63/34/230116334.db2.gz XHHSFNPOCAMOQO-JTQLQIEISA-N 1 1 317.349 1.559 20 5 DDBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645142 230116339 /nfs/dbraw/zinc/11/63/39/230116339.db2.gz XHHSFNPOCAMOQO-JTQLQIEISA-N 1 1 317.349 1.559 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457117278 420622617 /nfs/dbraw/zinc/62/26/17/420622617.db2.gz JLRHTFRETXVJKZ-GFCCVEGCSA-N 1 1 321.377 1.296 20 5 DDBDMO CCc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457117278 420622620 /nfs/dbraw/zinc/62/26/20/420622620.db2.gz JLRHTFRETXVJKZ-GFCCVEGCSA-N 1 1 321.377 1.296 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000493442113 420851856 /nfs/dbraw/zinc/85/18/56/420851856.db2.gz JANCTOQYPNFLPO-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000493442113 420851860 /nfs/dbraw/zinc/85/18/60/420851860.db2.gz JANCTOQYPNFLPO-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)o2)cc1 ZINC000459718019 420855783 /nfs/dbraw/zinc/85/57/83/420855783.db2.gz XHCSYBPJSKIOHS-DOMZBBRYSA-N 1 1 318.329 1.640 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449723275 421068840 /nfs/dbraw/zinc/06/88/40/421068840.db2.gz WZDVMUCEHCMDBS-ZIAGYGMSSA-N 1 1 324.333 1.355 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@](O)(C4CC4)C3)nc2c1 ZINC000489268597 421142609 /nfs/dbraw/zinc/14/26/09/421142609.db2.gz NELPWOSYIDGMKB-HNNXBMFYSA-N 1 1 302.334 1.818 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@](O)(C4CC4)C3)nc2c1 ZINC000489268597 421142612 /nfs/dbraw/zinc/14/26/12/421142612.db2.gz NELPWOSYIDGMKB-HNNXBMFYSA-N 1 1 302.334 1.818 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCCCC1 ZINC000569740287 421628055 /nfs/dbraw/zinc/62/80/55/421628055.db2.gz YNUOKNCOQOTOJF-UHFFFAOYSA-N 1 1 321.381 1.566 20 5 DDBDMO CC(C)Oc1nc(NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000571105991 421689976 /nfs/dbraw/zinc/68/99/76/421689976.db2.gz SJRAFGOCOCMKNK-UHFFFAOYSA-N 1 1 324.381 1.911 20 5 DDBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000571396120 421711734 /nfs/dbraw/zinc/71/17/34/421711734.db2.gz FCYKVIXEEOATOX-CYBMUJFWSA-N 1 1 315.333 1.115 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000519853566 421734526 /nfs/dbraw/zinc/73/45/26/421734526.db2.gz WJLXBRZFMPNRGO-CYBMUJFWSA-N 1 1 312.366 1.821 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000520065304 421738803 /nfs/dbraw/zinc/73/88/03/421738803.db2.gz RKEMPGWJNQTONA-SNVBAGLBSA-N 1 1 307.354 1.231 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000521142595 421773746 /nfs/dbraw/zinc/77/37/46/421773746.db2.gz XWPGWWDGYVLEHJ-UHFFFAOYSA-N 1 1 309.370 1.124 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000581056287 421891312 /nfs/dbraw/zinc/89/13/12/421891312.db2.gz KPJHDKVUXOHWBG-AWEZNQCLSA-N 1 1 314.345 1.720 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000574782459 422180463 /nfs/dbraw/zinc/18/04/63/422180463.db2.gz ZNYIQFLKWVORDN-NSHDSACASA-N 1 1 309.370 1.275 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000299220895 278865210 /nfs/dbraw/zinc/86/52/10/278865210.db2.gz LTOQEXUTGQTEDJ-UHFFFAOYSA-N 1 1 307.350 1.446 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368595220 301061439 /nfs/dbraw/zinc/06/14/39/301061439.db2.gz SIERBSLNASWEIP-OLZOCXBDSA-N 1 1 321.381 1.042 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369144145 301136800 /nfs/dbraw/zinc/13/68/00/301136800.db2.gz OFQGBABHUQSSKC-GHMZBOCLSA-N 1 1 321.381 1.627 20 5 DDBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369441276 301186303 /nfs/dbraw/zinc/18/63/03/301186303.db2.gz TYMHFXJSGAZLFW-ZDUSSCGKSA-N 1 1 318.333 1.063 20 5 DDBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369441276 301186306 /nfs/dbraw/zinc/18/63/06/301186306.db2.gz TYMHFXJSGAZLFW-ZDUSSCGKSA-N 1 1 318.333 1.063 20 5 DDBDMO Nc1ccc(N2CCC[N@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000376170198 302044220 /nfs/dbraw/zinc/04/42/20/302044220.db2.gz DWOOEABYWLEIKK-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1c[nH+]c2n1CCCC2 ZINC000376476208 302082280 /nfs/dbraw/zinc/08/22/80/302082280.db2.gz YEVOBHPKTAATID-UHFFFAOYSA-N 1 1 316.321 1.234 20 5 DDBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000518758827 302829660 /nfs/dbraw/zinc/82/96/60/302829660.db2.gz CTHHHBZDDYCSLR-JTQLQIEISA-N 1 1 318.337 1.403 20 5 DDBDMO CC(C)(O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000530938979 303221598 /nfs/dbraw/zinc/22/15/98/303221598.db2.gz GXSDJMIAFCHQTK-UHFFFAOYSA-N 1 1 312.370 1.043 20 5 DDBDMO Cc1nn(CCC(=O)Nc2cc(C)[nH+]cc2C)c(C)c1[N+](=O)[O-] ZINC000536574596 303364629 /nfs/dbraw/zinc/36/46/29/303364629.db2.gz HPOBSRANURRUEG-UHFFFAOYSA-N 1 1 317.349 1.871 20 5 DDBDMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000364485935 307046490 /nfs/dbraw/zinc/04/64/90/307046490.db2.gz SKMBJLXENRHXNE-ZNMIVQPWSA-N 1 1 309.410 1.622 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000364905434 307053513 /nfs/dbraw/zinc/05/35/13/307053513.db2.gz LVXJPPHNFUMHJX-JTQLQIEISA-N 1 1 319.365 1.319 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000365018717 307056624 /nfs/dbraw/zinc/05/66/24/307056624.db2.gz ORTLMWBXFZELFR-NHYWBVRUSA-N 1 1 318.377 1.485 20 5 DDBDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000365182777 307060838 /nfs/dbraw/zinc/06/08/38/307060838.db2.gz IQJICXBJMOYVQU-NWDGAFQWSA-N 1 1 318.377 1.842 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000366316042 307070526 /nfs/dbraw/zinc/07/05/26/307070526.db2.gz TXZBQYXNATVWHL-GHMZBOCLSA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]12 ZINC000366316042 307070527 /nfs/dbraw/zinc/07/05/27/307070527.db2.gz TXZBQYXNATVWHL-GHMZBOCLSA-N 1 1 323.736 1.343 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367785152 307104313 /nfs/dbraw/zinc/10/43/13/307104313.db2.gz WGLWHWVAZDVHBT-QQUHWDOBSA-N 1 1 305.334 1.092 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367785152 307104314 /nfs/dbraw/zinc/10/43/14/307104314.db2.gz WGLWHWVAZDVHBT-QQUHWDOBSA-N 1 1 305.334 1.092 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374052569 307201004 /nfs/dbraw/zinc/20/10/04/307201004.db2.gz VSRKLTILUHHPJM-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H](CO)C1 ZINC000374052569 307201005 /nfs/dbraw/zinc/20/10/05/307201005.db2.gz VSRKLTILUHHPJM-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000497296030 307389251 /nfs/dbraw/zinc/38/92/51/307389251.db2.gz HKBZDPJBVIVITF-CYBMUJFWSA-N 1 1 305.334 1.869 20 5 DDBDMO Cn1cc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2(C)C)cn1 ZINC000573264018 308235022 /nfs/dbraw/zinc/23/50/22/308235022.db2.gz QGWUQZYOUOGEFW-ZDUSSCGKSA-N 1 1 318.381 1.650 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000576400198 308311976 /nfs/dbraw/zinc/31/19/76/308311976.db2.gz AJPVBOKXPZISKV-LBPRGKRZSA-N 1 1 315.333 1.325 20 5 DDBDMO CC1(C)CC[N@@H+](CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000577189169 308369274 /nfs/dbraw/zinc/36/92/74/308369274.db2.gz QSOWZUPVCZQIGE-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000209700669 484136938 /nfs/dbraw/zinc/13/69/38/484136938.db2.gz IGTGBAFALUPENP-FPLPWBNLSA-N 1 1 307.350 1.302 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728931 484215958 /nfs/dbraw/zinc/21/59/58/484215958.db2.gz IVLIYSNHWQLVRT-BZPMIXESSA-N 1 1 310.350 1.037 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)C(F)(F)F)nc2c1 ZINC000563003298 484331246 /nfs/dbraw/zinc/33/12/46/484331246.db2.gz QLQZBMUZSRWCRY-SECBINFHSA-N 1 1 304.228 1.484 20 5 DDBDMO COC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000414163801 534280096 /nfs/dbraw/zinc/28/00/96/534280096.db2.gz GOUIPMMWBHIYEH-NSHDSACASA-N 1 1 324.333 1.215 20 5 DDBDMO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544109 534382254 /nfs/dbraw/zinc/38/22/54/534382254.db2.gz DSGSLGLXDQQQQS-GFCCVEGCSA-N 1 1 320.349 1.359 20 5 DDBDMO [NH3+]C1CCN(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000433140015 534567626 /nfs/dbraw/zinc/56/76/26/534567626.db2.gz DNLHXFUCXPOMCB-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO CC(C)OC[C@@H](CO)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000433266840 528010474 /nfs/dbraw/zinc/01/04/74/528010474.db2.gz BRZGMOQSBOHKKF-CYBMUJFWSA-N 1 1 312.366 1.691 20 5 DDBDMO CCOc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419007324 528313823 /nfs/dbraw/zinc/31/38/23/528313823.db2.gz RKITYCALSFULKG-QWHCGFSZSA-N 1 1 323.393 1.885 20 5 DDBDMO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000294776215 529147002 /nfs/dbraw/zinc/14/70/02/529147002.db2.gz ABILGWYCHUZBHU-LBPRGKRZSA-N 1 1 322.413 1.379 20 5 DDBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261675 529339676 /nfs/dbraw/zinc/33/96/76/529339676.db2.gz WDGFJIVZOJCWDU-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821242873 606732198 /nfs/dbraw/zinc/73/21/98/606732198.db2.gz XGIKUCLABASLQB-NOZJJQNGSA-N 1 1 317.353 1.527 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070076983 696387166 /nfs/dbraw/zinc/38/71/66/696387166.db2.gz DRSUPVCBPYVIJT-QWRGUYRKSA-N 1 1 313.379 1.274 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000748349641 700112471 /nfs/dbraw/zinc/11/24/71/700112471.db2.gz CJAOMKDADXXHOG-LLVKDONJSA-N 1 1 323.349 1.145 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000748349641 700112473 /nfs/dbraw/zinc/11/24/73/700112473.db2.gz CJAOMKDADXXHOG-LLVKDONJSA-N 1 1 323.349 1.145 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000748487046 700121452 /nfs/dbraw/zinc/12/14/52/700121452.db2.gz VQYUPMJHXWLPSM-LBPRGKRZSA-N 1 1 323.349 1.174 20 5 DDBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+]1CCOCC1 ZINC000748493863 700121655 /nfs/dbraw/zinc/12/16/55/700121655.db2.gz XSUAPOJZAFNCEZ-UHFFFAOYSA-N 1 1 309.322 1.056 20 5 DDBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](C4CC4)CC3)cc2N1 ZINC000195190557 697734573 /nfs/dbraw/zinc/73/45/73/697734573.db2.gz HSKQKGFEVONTIK-UHFFFAOYSA-N 1 1 316.361 1.764 20 5 DDBDMO CC(C)C1(O)C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000773893208 697820244 /nfs/dbraw/zinc/82/02/44/697820244.db2.gz LUJJMKUMVUDPTI-UHFFFAOYSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@H+](C[C@H]1CCOC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000749965339 700195938 /nfs/dbraw/zinc/19/59/38/700195938.db2.gz ZRJRCBQNGSUYPL-MRVPVSSYSA-N 1 1 319.159 1.480 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000749965339 700195939 /nfs/dbraw/zinc/19/59/39/700195939.db2.gz ZRJRCBQNGSUYPL-MRVPVSSYSA-N 1 1 319.159 1.480 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000776585906 698122100 /nfs/dbraw/zinc/12/21/00/698122100.db2.gz CTBGIDVLTUBFEA-ZIAGYGMSSA-N 1 1 312.391 1.428 20 5 DDBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc[nH]n1 ZINC000782491820 698730013 /nfs/dbraw/zinc/73/00/13/698730013.db2.gz KMOQENFSWATYEW-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc[nH]n1 ZINC000782491820 698730015 /nfs/dbraw/zinc/73/00/15/698730015.db2.gz KMOQENFSWATYEW-UHFFFAOYSA-N 1 1 321.312 1.918 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000424023267 699147205 /nfs/dbraw/zinc/14/72/05/699147205.db2.gz FJWPWKLCQBBFAB-CQSZACIVSA-N 1 1 307.354 1.239 20 5 DDBDMO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786878705 699176484 /nfs/dbraw/zinc/17/64/84/699176484.db2.gz GIDXRNKAIZAUMU-AWEZNQCLSA-N 1 1 322.365 1.742 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000787187634 699194811 /nfs/dbraw/zinc/19/48/11/699194811.db2.gz TUFJOXFXHPPYAT-WDEREUQCSA-N 1 1 306.366 1.732 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000787237361 699198985 /nfs/dbraw/zinc/19/89/85/699198985.db2.gz FTZVOTUFUCVZTN-GXFFZTMASA-N 1 1 318.333 1.785 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788114518 699279763 /nfs/dbraw/zinc/27/97/63/699279763.db2.gz FCOOEUVZPJXXTJ-DGCLKSJQSA-N 1 1 308.338 1.351 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000791051366 699608903 /nfs/dbraw/zinc/60/89/03/699608903.db2.gz BRDSXRDAQYMNHO-JTQLQIEISA-N 1 1 322.283 1.654 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H](O)COc1ccccc1C(F)(F)F ZINC000791051366 699608904 /nfs/dbraw/zinc/60/89/04/699608904.db2.gz BRDSXRDAQYMNHO-JTQLQIEISA-N 1 1 322.283 1.654 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801854264 700346534 /nfs/dbraw/zinc/34/65/34/700346534.db2.gz GBPGYDDJDXILGI-SNVBAGLBSA-N 1 1 324.356 1.776 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000753805062 700458418 /nfs/dbraw/zinc/45/84/18/700458418.db2.gz KFRUZRHRPTZLMV-UHFFFAOYSA-N 1 1 319.365 1.668 20 5 DDBDMO COCC1(O)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000758376978 700702010 /nfs/dbraw/zinc/70/20/10/700702010.db2.gz QZSCOORSIJOTAB-UHFFFAOYSA-N 1 1 320.349 1.375 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761711011 700867748 /nfs/dbraw/zinc/86/77/48/700867748.db2.gz IVKRFSOUHDXMDC-SECBINFHSA-N 1 1 305.256 1.641 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000762708805 700903610 /nfs/dbraw/zinc/90/36/10/700903610.db2.gz ZRPIJBOXOWIZKD-UHFFFAOYSA-N 1 1 304.350 1.559 20 5 DDBDMO Cc1nn(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840090641 701962825 /nfs/dbraw/zinc/96/28/25/701962825.db2.gz RKYXGGRZUOMTEG-PHIMTYICSA-N 1 1 318.381 1.630 20 5 DDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840110641 701973785 /nfs/dbraw/zinc/97/37/85/701973785.db2.gz SBEVOGBPGNSHKK-NWDGAFQWSA-N 1 1 315.333 1.030 20 5 DDBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840110641 701973787 /nfs/dbraw/zinc/97/37/87/701973787.db2.gz SBEVOGBPGNSHKK-NWDGAFQWSA-N 1 1 315.333 1.030 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261386 706633221 /nfs/dbraw/zinc/63/32/21/706633221.db2.gz JMGVNWZFIXPNRL-RRFJBIMHSA-N 1 1 310.350 1.100 20 5 DDBDMO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868366317 702089960 /nfs/dbraw/zinc/08/99/60/702089960.db2.gz PSDWMCDHNRBYRK-CYBMUJFWSA-N 1 1 318.377 1.939 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000866210742 706650131 /nfs/dbraw/zinc/65/01/31/706650131.db2.gz BKZDGBNZVKVSDH-UHFFFAOYSA-N 1 1 310.423 1.873 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000817374757 702361582 /nfs/dbraw/zinc/36/15/82/702361582.db2.gz VKXVOCPPFBBPFI-GFCCVEGCSA-N 1 1 320.349 1.486 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017219 702555154 /nfs/dbraw/zinc/55/51/54/702555154.db2.gz XTTUQWFASWGBBG-HNNXBMFYSA-N 1 1 315.333 1.439 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000842047202 702663475 /nfs/dbraw/zinc/66/34/75/702663475.db2.gz MISZGXMZKAQFID-VXGBXAGGSA-N 1 1 319.365 1.134 20 5 DDBDMO Cc1cc(N2CCC[C@H](OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000842304157 702700311 /nfs/dbraw/zinc/70/03/11/702700311.db2.gz VIOFRRQLALMYAT-YNEHKIRRSA-N 1 1 320.349 1.271 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000842832238 702781404 /nfs/dbraw/zinc/78/14/04/702781404.db2.gz BLMGPPDXEBVNHH-GFCCVEGCSA-N 1 1 310.354 1.455 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843858240 702934476 /nfs/dbraw/zinc/93/44/76/702934476.db2.gz SZTHHRRIFOKOGG-UHFFFAOYSA-N 1 1 313.329 1.086 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866540341 706724178 /nfs/dbraw/zinc/72/41/78/706724178.db2.gz LYAKAWKTDUMUGS-HZMBPMFUSA-N 1 1 321.352 1.875 20 5 DDBDMO O=C1N=NCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000846884579 703347037 /nfs/dbraw/zinc/34/70/37/703347037.db2.gz DKZSEUDBYCKBDH-UHFFFAOYSA-N 1 1 321.312 1.868 20 5 DDBDMO C[N@H+]1CC[C@@H](CCOC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000847823445 703473097 /nfs/dbraw/zinc/47/30/97/703473097.db2.gz FFSYFYXGXQIOSY-LBPRGKRZSA-N 1 1 308.334 1.859 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869777318 703848511 /nfs/dbraw/zinc/84/85/11/703848511.db2.gz MNSHKQQCERWLLJ-LBPRGKRZSA-N 1 1 321.377 1.478 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852313493 704007445 /nfs/dbraw/zinc/00/74/45/704007445.db2.gz IHIBQZHFUCGHFS-DOMZBBRYSA-N 1 1 317.349 1.242 20 5 DDBDMO C[C@@]12COC[C@]1(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852462033 704054147 /nfs/dbraw/zinc/05/41/47/704054147.db2.gz DVBMLBUWUZIDOQ-HRCADAONSA-N 1 1 306.362 1.987 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000819155072 704077587 /nfs/dbraw/zinc/07/75/87/704077587.db2.gz OKXGSMGTSRQLQO-SWLSCSKDSA-N 1 1 302.334 1.498 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000852664839 704095968 /nfs/dbraw/zinc/09/59/68/704095968.db2.gz DNQGDSFIORBDOF-VXGBXAGGSA-N 1 1 307.306 1.971 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1F ZINC000852708127 704103285 /nfs/dbraw/zinc/10/32/85/704103285.db2.gz RJDMDSLDLQJSJW-AWEZNQCLSA-N 1 1 323.368 1.765 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819643545 704155698 /nfs/dbraw/zinc/15/56/98/704155698.db2.gz XYRSOQXDLCWRTH-ZJIFWQFVSA-N 1 1 315.373 1.385 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819643545 704155701 /nfs/dbraw/zinc/15/57/01/704155701.db2.gz XYRSOQXDLCWRTH-ZJIFWQFVSA-N 1 1 315.373 1.385 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819643545 704155703 /nfs/dbraw/zinc/15/57/03/704155703.db2.gz XYRSOQXDLCWRTH-ZJIFWQFVSA-N 1 1 315.373 1.385 20 5 DDBDMO CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000870885058 704157125 /nfs/dbraw/zinc/15/71/25/704157125.db2.gz AGLRRNHDFYEVGA-XFJVYGCCSA-N 1 1 321.377 1.795 20 5 DDBDMO COc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1C ZINC000853451249 704241580 /nfs/dbraw/zinc/24/15/80/704241580.db2.gz DMFVDIKZEJMHAE-CYBMUJFWSA-N 1 1 321.377 1.823 20 5 DDBDMO CN(c1ccccc1)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853585517 704276067 /nfs/dbraw/zinc/27/60/67/704276067.db2.gz QHZQGIOCMHCEEW-CQSZACIVSA-N 1 1 301.350 1.960 20 5 DDBDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000853585517 704276069 /nfs/dbraw/zinc/27/60/69/704276069.db2.gz QHZQGIOCMHCEEW-CQSZACIVSA-N 1 1 301.350 1.960 20 5 DDBDMO Cc1ccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000821587788 704425453 /nfs/dbraw/zinc/42/54/53/704425453.db2.gz MNDACIDMNLDEDH-OKILXGFUSA-N 1 1 320.345 1.923 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000856280689 704521360 /nfs/dbraw/zinc/52/13/60/704521360.db2.gz BJOAFUMAGSEIPC-UHFFFAOYSA-N 1 1 309.370 1.422 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1COC(=O)Cn1c[nH+]cc1C ZINC000859947467 705049793 /nfs/dbraw/zinc/04/97/93/705049793.db2.gz GHORVGHKYBQVIO-UHFFFAOYSA-N 1 1 305.290 1.852 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000874457157 705074278 /nfs/dbraw/zinc/07/42/78/705074278.db2.gz HVVDXIASOJPFGI-CYBMUJFWSA-N 1 1 320.393 1.187 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160101 705118071 /nfs/dbraw/zinc/11/80/71/705118071.db2.gz LCSMLUJYNVFPIH-GIPNMCIBSA-N 1 1 319.317 1.027 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160101 705118075 /nfs/dbraw/zinc/11/80/75/705118075.db2.gz LCSMLUJYNVFPIH-GIPNMCIBSA-N 1 1 319.317 1.027 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC000874840447 705195990 /nfs/dbraw/zinc/19/59/90/705195990.db2.gz OBJVCMICRZAPKI-CHWSQXEVSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000874846917 705201467 /nfs/dbraw/zinc/20/14/67/705201467.db2.gz LNBKUOHJJLRLNO-LSDHHAIUSA-N 1 1 319.361 1.669 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000874851035 705204147 /nfs/dbraw/zinc/20/41/47/705204147.db2.gz ZCGGRJPAIMYLEC-OLZOCXBDSA-N 1 1 319.361 1.669 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343132 705434936 /nfs/dbraw/zinc/43/49/36/705434936.db2.gz YYEATNIWWZEMQO-XHDPSFHLSA-N 1 1 323.349 1.443 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000893877407 710870691 /nfs/dbraw/zinc/87/06/91/710870691.db2.gz WRCHCWUTQHRLMY-UKRRQHHQSA-N 1 1 318.377 1.483 20 5 DDBDMO O=C(OCC[NH+]1CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000861385548 705452239 /nfs/dbraw/zinc/45/22/39/705452239.db2.gz WBUYKCGHKPPAGE-UHFFFAOYSA-N 1 1 317.305 1.038 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861718167 705549471 /nfs/dbraw/zinc/54/94/71/705549471.db2.gz WMWSWAOTWQTABW-NEPJUHHUSA-N 1 1 323.324 1.015 20 5 DDBDMO CCOC(=O)Cc1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000825512489 705684940 /nfs/dbraw/zinc/68/49/40/705684940.db2.gz GIPCQLCNOSXURV-UHFFFAOYSA-N 1 1 307.350 1.452 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000863318921 705899847 /nfs/dbraw/zinc/89/98/47/705899847.db2.gz XZCIVSFPVUVRSX-SECBINFHSA-N 1 1 313.741 1.045 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374766 705988830 /nfs/dbraw/zinc/98/88/30/705988830.db2.gz PUIPHAFKSICHDQ-CHWSQXEVSA-N 1 1 319.361 1.526 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000828095281 706117267 /nfs/dbraw/zinc/11/72/67/706117267.db2.gz LWXFGHNKNAAQTN-SLEUVZQESA-N 1 1 321.377 1.569 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000877720289 706188658 /nfs/dbraw/zinc/18/86/58/706188658.db2.gz NFRZRGFBHAZIHK-KMUUFKDPSA-N 1 1 315.329 1.155 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829015543 706274093 /nfs/dbraw/zinc/27/40/93/706274093.db2.gz LQAORRWDRNUISP-PHIMTYICSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829015543 706274096 /nfs/dbraw/zinc/27/40/96/706274096.db2.gz LQAORRWDRNUISP-PHIMTYICSA-N 1 1 324.337 1.394 20 5 DDBDMO COCCC[N@@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865559729 706463568 /nfs/dbraw/zinc/46/35/68/706463568.db2.gz YLIREBUMXSOGCQ-UHFFFAOYSA-N 1 1 315.345 1.606 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000880571072 707022124 /nfs/dbraw/zinc/02/21/24/707022124.db2.gz KXKCEPFJURHGDW-UHFFFAOYSA-N 1 1 320.349 1.294 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000872779585 707597109 /nfs/dbraw/zinc/59/71/09/707597109.db2.gz GTERTWXKJNRIIW-UONOGXRCSA-N 1 1 306.366 1.342 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1nc2ccccn2c1[N+](=O)[O-] ZINC000872781394 707597408 /nfs/dbraw/zinc/59/74/08/707597408.db2.gz SNOOOTIVEXZASB-VXGBXAGGSA-N 1 1 301.350 1.915 20 5 DDBDMO Nc1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219934 708257833 /nfs/dbraw/zinc/25/78/33/708257833.db2.gz QIXSAFORLSYVGA-CHWSQXEVSA-N 1 1 306.366 1.212 20 5 DDBDMO Nc1c(F)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221450 708259604 /nfs/dbraw/zinc/25/96/04/708259604.db2.gz NBLFYSJHYRECOP-WDEREUQCSA-N 1 1 324.356 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)CCO)c1C ZINC000912611253 713049582 /nfs/dbraw/zinc/04/95/82/713049582.db2.gz AOESXHLMMSHHOI-UHFFFAOYSA-N 1 1 309.366 1.208 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@@H+](C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739943 713080446 /nfs/dbraw/zinc/08/04/46/713080446.db2.gz KSLCERPVUGYWPH-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\C(=O)N1CC[N@H+](C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000912739943 713080448 /nfs/dbraw/zinc/08/04/48/713080448.db2.gz KSLCERPVUGYWPH-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099387 713129970 /nfs/dbraw/zinc/12/99/70/713129970.db2.gz JTYUCHPVIXRPDE-NXEZZACHSA-N 1 1 311.363 1.497 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000928099387 713129972 /nfs/dbraw/zinc/12/99/72/713129972.db2.gz JTYUCHPVIXRPDE-NXEZZACHSA-N 1 1 311.363 1.497 20 5 DDBDMO Cc1cc[nH+]c(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000892943905 710529557 /nfs/dbraw/zinc/52/95/57/710529557.db2.gz ATRVCZWMAAYKCH-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000892984675 710536681 /nfs/dbraw/zinc/53/66/81/710536681.db2.gz FIRKGUYRMJMOEG-JTQLQIEISA-N 1 1 303.322 1.726 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000893266467 710583141 /nfs/dbraw/zinc/58/31/41/710583141.db2.gz RDDPMBWBZVTTQQ-CYBMUJFWSA-N 1 1 320.393 1.778 20 5 DDBDMO C[C@H]1[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000928441882 713197266 /nfs/dbraw/zinc/19/72/66/713197266.db2.gz PTMZBRMUWIOEHC-IINYFYTJSA-N 1 1 316.361 1.827 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000928444787 713198971 /nfs/dbraw/zinc/19/89/71/713198971.db2.gz MLGGHNJTRINTNB-MWLCHTKSSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000928450126 713202320 /nfs/dbraw/zinc/20/23/20/713202320.db2.gz SHNDEZSYVZZIEP-JOYOIKCWSA-N 1 1 321.333 1.188 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928452035 713202906 /nfs/dbraw/zinc/20/29/06/713202906.db2.gz MNJPKXBZVBTAQL-IUODEOHRSA-N 1 1 320.393 1.996 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895246338 711463831 /nfs/dbraw/zinc/46/38/31/711463831.db2.gz NBFHJVGEASGMPJ-CMPLNLGQSA-N 1 1 310.402 1.166 20 5 DDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000895248479 711465274 /nfs/dbraw/zinc/46/52/74/711465274.db2.gz LYUYYPNWFLNRFB-SKDRFNHKSA-N 1 1 313.789 1.689 20 5 DDBDMO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000895249500 711465619 /nfs/dbraw/zinc/46/56/19/711465619.db2.gz UVQBBJUJDQHKMM-TVQRCGJNSA-N 1 1 314.336 1.919 20 5 DDBDMO COc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC000895811140 711613244 /nfs/dbraw/zinc/61/32/44/711613244.db2.gz DCVRJOXCJVCTIO-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO CC1(C)CC[N@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905678293 712115329 /nfs/dbraw/zinc/11/53/29/712115329.db2.gz KEAUMOCPRVREJG-OAHLLOKOSA-N 1 1 307.394 1.950 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905678293 712115330 /nfs/dbraw/zinc/11/53/30/712115330.db2.gz KEAUMOCPRVREJG-OAHLLOKOSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccns3)CC2)cn1 ZINC000929171150 713560688 /nfs/dbraw/zinc/56/06/88/713560688.db2.gz GRKOJUKFHQNHQV-UHFFFAOYSA-N 1 1 319.390 1.811 20 5 DDBDMO C[C@H]1[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000920599393 713682137 /nfs/dbraw/zinc/68/21/37/713682137.db2.gz TUYFZWKSOOISLL-WCQYABFASA-N 1 1 306.366 1.529 20 5 DDBDMO C[C@H]1CCC[N@H+](CC[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000929778921 713688363 /nfs/dbraw/zinc/68/83/63/713688363.db2.gz KSNRRSVNOIAULF-RYUDHWBXSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000929778921 713688364 /nfs/dbraw/zinc/68/83/64/713688364.db2.gz KSNRRSVNOIAULF-RYUDHWBXSA-N 1 1 301.387 1.888 20 5 DDBDMO CCOC(=O)/C=C/C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985540 713728880 /nfs/dbraw/zinc/72/88/80/713728880.db2.gz BUQSPQPDYJHYCX-PCAWENJQSA-N 1 1 320.349 1.595 20 5 DDBDMO CCOC(=O)/C=C/C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929985540 713728884 /nfs/dbraw/zinc/72/88/84/713728884.db2.gz BUQSPQPDYJHYCX-PCAWENJQSA-N 1 1 320.349 1.595 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000930361977 713813624 /nfs/dbraw/zinc/81/36/24/713813624.db2.gz AWGXOEAAVUAMEK-BYCMXARLSA-N 1 1 303.362 1.766 20 5 DDBDMO O=C(CN1CCn2cc[nH+]c21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000931522447 714118647 /nfs/dbraw/zinc/11/86/47/714118647.db2.gz DLFNWMLVNZZDES-UHFFFAOYSA-N 1 1 313.317 1.201 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627344 714141783 /nfs/dbraw/zinc/14/17/83/714141783.db2.gz NVLMIROGUDLLCA-LSDHHAIUSA-N 1 1 321.377 1.393 20 5 DDBDMO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932105413 714260177 /nfs/dbraw/zinc/26/01/77/714260177.db2.gz UXICHFLJEWKUET-KYOSRNDESA-N 1 1 322.361 1.759 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000932348344 714315572 /nfs/dbraw/zinc/31/55/72/714315572.db2.gz MVJBYCKZTWJVDC-TZMCWYRMSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933079258 714513274 /nfs/dbraw/zinc/51/32/74/714513274.db2.gz KTQLPTDYNHVNGW-CQSZACIVSA-N 1 1 308.382 1.930 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000933560411 714617252 /nfs/dbraw/zinc/61/72/52/714617252.db2.gz UWINTAAYUBDXEA-UGFHNGPFSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000933560411 714617254 /nfs/dbraw/zinc/61/72/54/714617254.db2.gz UWINTAAYUBDXEA-UGFHNGPFSA-N 1 1 303.362 1.861 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CC[N@@H+](C)CC1 ZINC000933995524 714717706 /nfs/dbraw/zinc/71/77/06/714717706.db2.gz DKHCHTIIZQWYNC-AWEZNQCLSA-N 1 1 306.410 1.835 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114484 714745251 /nfs/dbraw/zinc/74/52/51/714745251.db2.gz JCDOJVLCJOUKJX-SOUVJXGZSA-N 1 1 319.361 1.809 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000934114484 714745252 /nfs/dbraw/zinc/74/52/52/714745252.db2.gz JCDOJVLCJOUKJX-SOUVJXGZSA-N 1 1 319.361 1.809 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121653 714747827 /nfs/dbraw/zinc/74/78/27/714747827.db2.gz NZZFCBHPBKAFSJ-ZIAGYGMSSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000934121653 714747829 /nfs/dbraw/zinc/74/78/29/714747829.db2.gz NZZFCBHPBKAFSJ-ZIAGYGMSSA-N 1 1 307.350 1.951 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935479318 715065754 /nfs/dbraw/zinc/06/57/54/715065754.db2.gz SQXNEUMYGXWSBY-HUUCEWRRSA-N 1 1 303.362 1.907 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC1CCC1 ZINC001125380607 733087348 /nfs/dbraw/zinc/08/73/48/733087348.db2.gz VYUCYAJUAGAFEG-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO Cc1sccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126838586 742350068 /nfs/dbraw/zinc/35/00/68/742350068.db2.gz IFKBQVLIRYPMSF-UHFFFAOYSA-N 1 1 323.378 1.218 20 5 DDBDMO Cc1nc(C(C)C)ccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936218 742830119 /nfs/dbraw/zinc/83/01/19/742830119.db2.gz BFSZQGMNNXSLJQ-UKRRQHHQSA-N 1 1 320.393 1.384 20 5 DDBDMO CC(C)(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936464 742840431 /nfs/dbraw/zinc/84/04/31/742840431.db2.gz JKIMGDSGNOXSRB-HUUCEWRRSA-N 1 1 319.405 1.855 20 5 DDBDMO CCOCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194725301 746449706 /nfs/dbraw/zinc/44/97/06/746449706.db2.gz CESQZIFPXNTVQD-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO CCOCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194725301 746449709 /nfs/dbraw/zinc/44/97/09/746449709.db2.gz CESQZIFPXNTVQD-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO C[N@@H+]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001195642405 746663640 /nfs/dbraw/zinc/66/36/40/746663640.db2.gz IQPRANDFWCDIOR-LBPRGKRZSA-N 1 1 313.379 1.213 20 5 DDBDMO C[N@H+]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001195642405 746663643 /nfs/dbraw/zinc/66/36/43/746663643.db2.gz IQPRANDFWCDIOR-LBPRGKRZSA-N 1 1 313.379 1.213 20 5 DDBDMO COCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195771184 746693529 /nfs/dbraw/zinc/69/35/29/746693529.db2.gz ZGPINXVFONWPRL-ZIAGYGMSSA-N 1 1 313.398 1.003 20 5 DDBDMO COCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195771184 746693531 /nfs/dbraw/zinc/69/35/31/746693531.db2.gz ZGPINXVFONWPRL-ZIAGYGMSSA-N 1 1 313.398 1.003 20 5 DDBDMO COCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195771184 746693533 /nfs/dbraw/zinc/69/35/33/746693533.db2.gz ZGPINXVFONWPRL-ZIAGYGMSSA-N 1 1 313.398 1.003 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccc[nH]1 ZINC001031543930 746994995 /nfs/dbraw/zinc/99/49/95/746994995.db2.gz OJDZSGQSFITPKU-UHFFFAOYSA-N 1 1 314.345 1.785 20 5 DDBDMO Cc1cccc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662175 747336519 /nfs/dbraw/zinc/33/65/19/747336519.db2.gz WAGJFBCNHFIDBK-GDBMZVCRSA-N 1 1 317.389 1.517 20 5 DDBDMO O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662257 747336585 /nfs/dbraw/zinc/33/65/85/747336585.db2.gz ZFFOATVHAJMJMM-HUUCEWRRSA-N 1 1 309.410 1.670 20 5 DDBDMO CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471363 748265460 /nfs/dbraw/zinc/26/54/60/748265460.db2.gz FPNNULGSUSBUSD-DPOFCPOHSA-N 1 1 309.410 1.979 20 5 DDBDMO CN(C)c1cc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001137170437 749377085 /nfs/dbraw/zinc/37/70/85/749377085.db2.gz RAEZNGSVAIUNOU-AWEZNQCLSA-N 1 1 316.317 1.728 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCC2CCCC2)CC1 ZINC000996440894 749574794 /nfs/dbraw/zinc/57/47/94/749574794.db2.gz OJQNWRVWHWHYCW-HUUCEWRRSA-N 1 1 309.410 1.813 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007604 762175580 /nfs/dbraw/zinc/17/55/80/762175580.db2.gz OMIMZTMCAYEEAZ-MMWGEVLESA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007604 762175583 /nfs/dbraw/zinc/17/55/83/762175583.db2.gz OMIMZTMCAYEEAZ-MMWGEVLESA-N 1 1 314.279 1.769 20 5 DDBDMO C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038237 762193473 /nfs/dbraw/zinc/19/34/73/762193473.db2.gz XGUXSHACXFZCFQ-RYUDHWBXSA-N 1 1 313.398 1.983 20 5 DDBDMO Cc1cnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057630 762210945 /nfs/dbraw/zinc/21/09/45/762210945.db2.gz WKJXUXIZWWHSSM-MGPQQGTHSA-N 1 1 306.366 1.684 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001097189729 756978636 /nfs/dbraw/zinc/97/86/36/756978636.db2.gz CNDZANFWLRWRHI-TXEJJXNPSA-N 1 1 321.381 1.389 20 5 DDBDMO CCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000148480 761541630 /nfs/dbraw/zinc/54/16/30/761541630.db2.gz FHUQCKIATFEOQS-ZIAGYGMSSA-N 1 1 309.410 1.813 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136225125 771917803 /nfs/dbraw/zinc/91/78/03/771917803.db2.gz TTZJPQDVKCJUFA-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094434479 775858619 /nfs/dbraw/zinc/85/86/19/775858619.db2.gz JPPSYYIMSHBFSL-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094456347 775894924 /nfs/dbraw/zinc/89/49/24/775894924.db2.gz BLFBQDLZALFWEA-UHFFFAOYSA-N 1 1 308.382 1.853 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001173234402 777065010 /nfs/dbraw/zinc/06/50/10/777065010.db2.gz RCAZYNUBEFAXDT-IUODEOHRSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@](CO)([NH2+]Cc1cc(=O)c(O)co1)c1cccc([N+](=O)[O-])c1 ZINC001175322338 777751293 /nfs/dbraw/zinc/75/12/93/777751293.db2.gz BEFKLGCAZLOPFZ-HNNXBMFYSA-N 1 1 320.301 1.251 20 5 DDBDMO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001119344397 781413563 /nfs/dbraw/zinc/41/35/63/781413563.db2.gz LIBNWZQUPGSACE-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001119344397 781413565 /nfs/dbraw/zinc/41/35/65/781413565.db2.gz LIBNWZQUPGSACE-CYBMUJFWSA-N 1 1 313.379 1.108 20 5 DDBDMO CN(CC[N@@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268237488 839874532 /nfs/dbraw/zinc/87/45/32/839874532.db2.gz KDHAAGCRLQAEHW-ZIAGYGMSSA-N 1 1 309.341 1.381 20 5 DDBDMO CN(CC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268237488 839874546 /nfs/dbraw/zinc/87/45/46/839874546.db2.gz KDHAAGCRLQAEHW-ZIAGYGMSSA-N 1 1 309.341 1.381 20 5 DDBDMO CN(CC[N@@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268237488 839874553 /nfs/dbraw/zinc/87/45/53/839874553.db2.gz KDHAAGCRLQAEHW-ZIAGYGMSSA-N 1 1 309.341 1.381 20 5 DDBDMO O=C(NCC1([NH2+]Cc2ccsc2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001270743854 842864200 /nfs/dbraw/zinc/86/42/00/842864200.db2.gz XFGVQLSUXFGOKM-CHWSQXEVSA-N 1 1 323.418 1.932 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c2n1CCC2 ZINC001154937228 861584870 /nfs/dbraw/zinc/58/48/70/861584870.db2.gz JLPYOWVXUHJMII-UHFFFAOYSA-N 1 1 316.317 1.676 20 5 DDBDMO CCOC(=O)c1cc(-c2nnc(C[NH+](C)C)o2)cc([N+](=O)[O-])c1 ZINC001328432230 862970291 /nfs/dbraw/zinc/97/02/91/862970291.db2.gz AAAJWBNHKDCYMM-UHFFFAOYSA-N 1 1 320.305 1.883 20 5 DDBDMO CC(=O)NC1(CO)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001328509477 863015462 /nfs/dbraw/zinc/01/54/62/863015462.db2.gz KBTWCNRRXIDLDJ-UHFFFAOYSA-N 1 1 307.350 1.058 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C[N+](=O)[O-])n2CC)C1 ZINC001121792138 858598583 /nfs/dbraw/zinc/59/85/83/858598583.db2.gz RJXUXUHEOBNEKH-GFCCVEGCSA-N 1 1 310.402 1.243 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001122962746 859030032 /nfs/dbraw/zinc/03/00/32/859030032.db2.gz UTHOFHBWLYSEPG-YHWZYXNKSA-N 1 1 322.365 1.516 20 5 DDBDMO Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001123474148 859251042 /nfs/dbraw/zinc/25/10/42/859251042.db2.gz YRWUPTCNQVKGHP-SMDDNHRTSA-N 1 1 304.350 1.230 20 5 DDBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC001332381214 865803163 /nfs/dbraw/zinc/80/31/63/865803163.db2.gz NHLUSMSGSHGZRJ-UHFFFAOYSA-N 1 1 322.365 1.040 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001320704252 866964287 /nfs/dbraw/zinc/96/42/87/866964287.db2.gz YLMDGTYJFGHKCM-NSHDSACASA-N 1 1 306.366 1.851 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001163347007 868379075 /nfs/dbraw/zinc/37/90/75/868379075.db2.gz QDCTYUNKSBJJPW-ABAIWWIYSA-N 1 1 319.361 1.830 20 5 DDBDMO Cc1cccc(N2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC001163666818 868610173 /nfs/dbraw/zinc/61/01/73/868610173.db2.gz VYTADOXYQDGTJJ-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO CC(=O)c1cc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727476 869112593 /nfs/dbraw/zinc/11/25/93/869112593.db2.gz WLMFEQYQKCLRNX-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO CC(=O)c1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001336727476 869112597 /nfs/dbraw/zinc/11/25/97/869112597.db2.gz WLMFEQYQKCLRNX-BDJLRTHQSA-N 1 1 320.393 1.844 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001165151425 869410798 /nfs/dbraw/zinc/41/07/98/869410798.db2.gz QREOMDMSXVFIGE-PHIMTYICSA-N 1 1 320.349 1.164 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001166032259 869809419 /nfs/dbraw/zinc/80/94/19/869809419.db2.gz BJEZPIJILZUKAP-UHFFFAOYSA-N 1 1 320.353 1.206 20 5 DDBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001166034714 869810708 /nfs/dbraw/zinc/81/07/08/869810708.db2.gz JZKJYQKZLIEMFV-UHFFFAOYSA-N 1 1 320.353 1.206 20 5 DDBDMO CC[N@H+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC001338461280 869991112 /nfs/dbraw/zinc/99/11/12/869991112.db2.gz KXYDTMACCSGZMN-JTQLQIEISA-N 1 1 319.369 1.249 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441030 882433573 /nfs/dbraw/zinc/43/35/73/882433573.db2.gz LEILDYOYRZYGGE-GFCCVEGCSA-N 1 1 318.333 1.638 20 5 DDBDMO C[C@H]1[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303799178 871155867 /nfs/dbraw/zinc/15/58/67/871155867.db2.gz DHFCYMBXQYIYGB-JOYOIKCWSA-N 1 1 311.769 2.000 20 5 DDBDMO Cc1cccc(C)c1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316823041 871966546 /nfs/dbraw/zinc/96/65/46/871966546.db2.gz BLIUDEXZMVFPLF-GDBMZVCRSA-N 1 1 319.405 1.907 20 5 DDBDMO Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316823041 871966557 /nfs/dbraw/zinc/96/65/57/871966557.db2.gz BLIUDEXZMVFPLF-GDBMZVCRSA-N 1 1 319.405 1.907 20 5 DDBDMO Cc1cccc(C)c1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316823041 871966574 /nfs/dbraw/zinc/96/65/74/871966574.db2.gz BLIUDEXZMVFPLF-GDBMZVCRSA-N 1 1 319.405 1.907 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1COC[C@@H]1C[N@H+](C)CCO1 ZINC001222777102 880692528 /nfs/dbraw/zinc/69/25/28/880692528.db2.gz GHQHYWLFUSSXOR-NSHDSACASA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1COC[C@@H]1C[N@@H+](C)CCO1 ZINC001222777102 880692532 /nfs/dbraw/zinc/69/25/32/880692532.db2.gz GHQHYWLFUSSXOR-NSHDSACASA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1c(COC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223296153 880911922 /nfs/dbraw/zinc/91/19/22/880911922.db2.gz YFHAKBRSCWWWCG-LBPRGKRZSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1c(COC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001223296153 880911929 /nfs/dbraw/zinc/91/19/29/880911929.db2.gz YFHAKBRSCWWWCG-LBPRGKRZSA-N 1 1 324.333 1.229 20 5 DDBDMO O=[N+]([O-])c1c[nH]cc2nc(O[C@@H]3CCc4[nH+]ccn4C3)nc1-2 ZINC001230231517 884381818 /nfs/dbraw/zinc/38/18/18/884381818.db2.gz MAXTXGGUPNGZBI-MRVPVSSYSA-N 1 1 300.278 1.456 20 5 DDBDMO CC(=O)N1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601096 896524859 /nfs/dbraw/zinc/52/48/59/896524859.db2.gz ZGLCGSBFIFJSJL-MRXNPFEDSA-N 1 1 303.362 1.616 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC001263980098 900854096 /nfs/dbraw/zinc/85/40/96/900854096.db2.gz NEVFFFPZJIZKOD-DUFXMDAXSA-N 1 1 307.325 1.804 20 5 DDBDMO Cc1cnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000278651100 214303062 /nfs/dbraw/zinc/30/30/62/214303062.db2.gz DONPPXDIJPIHRP-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO COCC[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714469 214347147 /nfs/dbraw/zinc/34/71/47/214347147.db2.gz OWEDLDITSDGYJV-NSHDSACASA-N 1 1 319.365 1.281 20 5 DDBDMO COCC[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278714469 214347152 /nfs/dbraw/zinc/34/71/52/214347152.db2.gz OWEDLDITSDGYJV-NSHDSACASA-N 1 1 319.365 1.281 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000278779445 214396493 /nfs/dbraw/zinc/39/64/93/214396493.db2.gz DBNAGSRALJTOQX-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451253359 529480550 /nfs/dbraw/zinc/48/05/50/529480550.db2.gz JNZSTJUTPAXASJ-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452390477 231375529 /nfs/dbraw/zinc/37/55/29/231375529.db2.gz OFHNHNCEUUGBNP-HNNXBMFYSA-N 1 1 321.377 1.100 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250337 529577221 /nfs/dbraw/zinc/57/72/21/529577221.db2.gz IXQRRSOSLGFNBW-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000495250337 529577225 /nfs/dbraw/zinc/57/72/25/529577225.db2.gz IXQRRSOSLGFNBW-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000090551233 185302700 /nfs/dbraw/zinc/30/27/00/185302700.db2.gz KJWXBHPLYSUPIB-ZDUSSCGKSA-N 1 1 311.407 1.830 20 5 DDBDMO CC(C)CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552306 185303037 /nfs/dbraw/zinc/30/30/37/185303037.db2.gz ZWIAVYVWMGIOGR-AWEZNQCLSA-N 1 1 309.366 1.503 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181418558 199293938 /nfs/dbraw/zinc/29/39/38/199293938.db2.gz ANODRUJPMIVBEZ-JTQLQIEISA-N 1 1 323.349 1.784 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181606769 199326455 /nfs/dbraw/zinc/32/64/55/199326455.db2.gz JPYXOAIKOIKUMK-LLVKDONJSA-N 1 1 321.333 1.538 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000458178851 530054666 /nfs/dbraw/zinc/05/46/66/530054666.db2.gz XEUUUKAKUIFLAQ-ZDUSSCGKSA-N 1 1 305.378 1.985 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413149591 530071285 /nfs/dbraw/zinc/07/12/85/530071285.db2.gz VAHCVMPHWOXKCH-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413149591 530071287 /nfs/dbraw/zinc/07/12/87/530071287.db2.gz VAHCVMPHWOXKCH-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413149591 530071288 /nfs/dbraw/zinc/07/12/88/530071288.db2.gz VAHCVMPHWOXKCH-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000295159743 282363728 /nfs/dbraw/zinc/36/37/28/282363728.db2.gz FCLYWGFYLMNPGR-UHFFFAOYSA-N 1 1 309.366 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)CO ZINC000295159743 282363730 /nfs/dbraw/zinc/36/37/30/282363730.db2.gz FCLYWGFYLMNPGR-UHFFFAOYSA-N 1 1 309.366 1.792 20 5 DDBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000279646289 215030072 /nfs/dbraw/zinc/03/00/72/215030072.db2.gz BEEXUOKDORHDDC-OAHLLOKOSA-N 1 1 318.377 1.750 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682293 186097036 /nfs/dbraw/zinc/09/70/36/186097036.db2.gz PXQXDRABJSXNJL-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152682293 186097038 /nfs/dbraw/zinc/09/70/38/186097038.db2.gz PXQXDRABJSXNJL-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO O=[N+]([O-])c1cc2c(ncnc2NCCC[NH+]2CCOCC2)s1 ZINC000287183240 219364530 /nfs/dbraw/zinc/36/45/30/219364530.db2.gz ZQHAMIJECKHADV-UHFFFAOYSA-N 1 1 323.378 1.734 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086620 215364596 /nfs/dbraw/zinc/36/45/96/215364596.db2.gz OETZZGNDABLOOQ-HOCLYGCPSA-N 1 1 324.377 1.571 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172293478 198073264 /nfs/dbraw/zinc/07/32/64/198073264.db2.gz SWXXYFDCEJVILC-MRXNPFEDSA-N 1 1 324.377 1.837 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000066149655 352980024 /nfs/dbraw/zinc/98/00/24/352980024.db2.gz FUMGNXZAWJCOPP-LLVKDONJSA-N 1 1 311.386 1.373 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173399895 198211341 /nfs/dbraw/zinc/21/13/41/198211341.db2.gz VAEBQHUEWHQDFD-ZIAGYGMSSA-N 1 1 306.410 1.881 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000069139261 353148361 /nfs/dbraw/zinc/14/83/61/353148361.db2.gz UTAAEWABFIKOIN-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074288477 353304779 /nfs/dbraw/zinc/30/47/79/353304779.db2.gz LXODERJXTFFJAO-GFCCVEGCSA-N 1 1 313.379 1.095 20 5 DDBDMO COc1ccc([C@@H](CO)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174861038 198394061 /nfs/dbraw/zinc/39/40/61/198394061.db2.gz WQNQAXAKUQLYRN-OAHLLOKOSA-N 1 1 320.349 1.465 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078562777 353521687 /nfs/dbraw/zinc/52/16/87/353521687.db2.gz OABDMTCCLHWNBH-LBPRGKRZSA-N 1 1 320.393 1.862 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277096734 213290630 /nfs/dbraw/zinc/29/06/30/213290630.db2.gz CBCKHUJKYUDRQN-LLVKDONJSA-N 1 1 323.397 1.827 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080160867 353594444 /nfs/dbraw/zinc/59/44/44/353594444.db2.gz WILQFJRNQPMLST-UHFFFAOYSA-N 1 1 320.393 1.585 20 5 DDBDMO CNC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000084714861 353727039 /nfs/dbraw/zinc/72/70/39/353727039.db2.gz WLJPXDJOMDEFOM-UHFFFAOYSA-N 1 1 322.365 1.321 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700599 353757546 /nfs/dbraw/zinc/75/75/46/353757546.db2.gz KYVKFLKQNFVXNQ-UHFFFAOYSA-N 1 1 306.366 1.526 20 5 DDBDMO CCc1nn(C)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000091480069 353828192 /nfs/dbraw/zinc/82/81/92/353828192.db2.gz KMAQYRREEBPHQE-JTQLQIEISA-N 1 1 304.354 1.998 20 5 DDBDMO COC1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549564 353795185 /nfs/dbraw/zinc/79/51/85/353795185.db2.gz PHHWDKGAOKXELG-UHFFFAOYSA-N 1 1 309.366 1.646 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000156606961 354220268 /nfs/dbraw/zinc/22/02/68/354220268.db2.gz PNDOJNKNPZWOPM-CYBMUJFWSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000156606961 354220273 /nfs/dbraw/zinc/22/02/73/354220273.db2.gz PNDOJNKNPZWOPM-CYBMUJFWSA-N 1 1 323.349 1.245 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)C1 ZINC000346178543 283014158 /nfs/dbraw/zinc/01/41/58/283014158.db2.gz LLZLRWIMXJCWIV-SRVKXCTJSA-N 1 1 321.381 1.131 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H](O)C1CC1 ZINC000305233213 354469804 /nfs/dbraw/zinc/46/98/04/354469804.db2.gz MQDMZYPZIPOCBJ-OAHLLOKOSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1ccc2nc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)ccc2c1 ZINC000405210732 354677108 /nfs/dbraw/zinc/67/71/08/354677108.db2.gz HZTAWBQJAIABEO-UONOGXRCSA-N 1 1 314.345 1.398 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000589497057 354996573 /nfs/dbraw/zinc/99/65/73/354996573.db2.gz LKRJUTDYVNJRRT-LLVKDONJSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC000589497057 354996576 /nfs/dbraw/zinc/99/65/76/354996576.db2.gz LKRJUTDYVNJRRT-LLVKDONJSA-N 1 1 308.334 1.992 20 5 DDBDMO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000590566935 355114914 /nfs/dbraw/zinc/11/49/14/355114914.db2.gz SVJYMRHYZUMJDY-ZANVPECISA-N 1 1 317.349 1.636 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590443437 355097546 /nfs/dbraw/zinc/09/75/46/355097546.db2.gz IRCCTHOBQYUGRL-RISCZKNCSA-N 1 1 305.334 1.136 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590446501 355099820 /nfs/dbraw/zinc/09/98/20/355099820.db2.gz VZFCVKRQXNRXCN-GXFFZTMASA-N 1 1 305.334 1.380 20 5 DDBDMO COCc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000590957086 355222701 /nfs/dbraw/zinc/22/27/01/355222701.db2.gz NSNLJXWPHWOYKF-UHFFFAOYSA-N 1 1 307.306 1.898 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000591767829 355381189 /nfs/dbraw/zinc/38/11/89/355381189.db2.gz QIBDMLFAETUWFL-OLZOCXBDSA-N 1 1 316.354 1.849 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000593035332 355776596 /nfs/dbraw/zinc/77/65/96/355776596.db2.gz SUBTUZVEOCSYGC-GWCFXTLKSA-N 1 1 308.334 1.727 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000593035332 355776600 /nfs/dbraw/zinc/77/66/00/355776600.db2.gz SUBTUZVEOCSYGC-GWCFXTLKSA-N 1 1 308.334 1.727 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593103322 355799317 /nfs/dbraw/zinc/79/93/17/355799317.db2.gz YTKLWFOTSNMACI-QENPMARHSA-N 1 1 310.375 1.569 20 5 DDBDMO CCOc1cccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593505966 355907237 /nfs/dbraw/zinc/90/72/37/355907237.db2.gz ZCPDGIZYOWZPOM-GFCCVEGCSA-N 1 1 307.350 1.249 20 5 DDBDMO CCOc1cccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593505966 355907239 /nfs/dbraw/zinc/90/72/39/355907239.db2.gz ZCPDGIZYOWZPOM-GFCCVEGCSA-N 1 1 307.350 1.249 20 5 DDBDMO [NH3+]C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727029 355977420 /nfs/dbraw/zinc/97/74/20/355977420.db2.gz APWCMFNOQRIXEH-CYBMUJFWSA-N 1 1 321.377 1.488 20 5 DDBDMO [NH3+]C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000593727029 355977423 /nfs/dbraw/zinc/97/74/23/355977423.db2.gz APWCMFNOQRIXEH-CYBMUJFWSA-N 1 1 321.377 1.488 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025433 356093215 /nfs/dbraw/zinc/09/32/15/356093215.db2.gz LFSIHTKIQZFGKR-VHDGCEQUSA-N 1 1 305.378 1.715 20 5 DDBDMO C[C@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064217 356103572 /nfs/dbraw/zinc/10/35/72/356103572.db2.gz LMVISJBGXCYUIC-NSHDSACASA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000594064217 356103576 /nfs/dbraw/zinc/10/35/76/356103576.db2.gz LMVISJBGXCYUIC-NSHDSACASA-N 1 1 319.361 1.329 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594418566 356204156 /nfs/dbraw/zinc/20/41/56/356204156.db2.gz KDZXQNSEIRHDJO-VXGBXAGGSA-N 1 1 321.381 1.627 20 5 DDBDMO O=[N+]([O-])c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594502527 356238137 /nfs/dbraw/zinc/23/81/37/356238137.db2.gz KIIUTQHOMRAUKZ-MRXNPFEDSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000594501974 356238783 /nfs/dbraw/zinc/23/87/83/356238783.db2.gz GNAVEBJPJOMEAZ-OAHLLOKOSA-N 1 1 305.378 1.938 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000081556137 192290570 /nfs/dbraw/zinc/29/05/70/192290570.db2.gz FHHCUHKBWNXXPX-LLVKDONJSA-N 1 1 322.365 1.237 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607971 356574711 /nfs/dbraw/zinc/57/47/11/356574711.db2.gz MDYPAKFZKWAYHZ-CYBMUJFWSA-N 1 1 317.349 1.717 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595741353 356630210 /nfs/dbraw/zinc/63/02/10/356630210.db2.gz MXSGOSBVTLBLFC-MFKMUULPSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595741353 356630212 /nfs/dbraw/zinc/63/02/12/356630212.db2.gz MXSGOSBVTLBLFC-MFKMUULPSA-N 1 1 307.325 1.834 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c2c(c1)COCO2 ZINC000595830708 356667926 /nfs/dbraw/zinc/66/79/26/356667926.db2.gz LGUJHLHFENSEBX-BXUZGUMPSA-N 1 1 320.345 1.930 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595877535 356688240 /nfs/dbraw/zinc/68/82/40/356688240.db2.gz UYMUJAUPTGUPTE-MLGOLLRUSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595877535 356688242 /nfs/dbraw/zinc/68/82/42/356688242.db2.gz UYMUJAUPTGUPTE-MLGOLLRUSA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000596133309 356785498 /nfs/dbraw/zinc/78/54/98/356785498.db2.gz HAVNBBFFPSPGMS-SNVBAGLBSA-N 1 1 314.773 1.445 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCC23CC(C2)C[NH2+]3)n1 ZINC000596655751 356943893 /nfs/dbraw/zinc/94/38/93/356943893.db2.gz YMPOMNMHHOOICJ-SBEAFCBVSA-N 1 1 305.382 1.617 20 5 DDBDMO Cc1[nH+]cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C ZINC000596989686 357034844 /nfs/dbraw/zinc/03/48/44/357034844.db2.gz VENOFBQVGOAQQC-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000597682371 357283553 /nfs/dbraw/zinc/28/35/53/357283553.db2.gz NWLLWZIRRZULOH-UHFFFAOYSA-N 1 1 319.361 1.307 20 5 DDBDMO CCN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](CC)C1 ZINC000598040928 357438096 /nfs/dbraw/zinc/43/80/96/357438096.db2.gz JKFYCCIUYZAVBY-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598599464 357648830 /nfs/dbraw/zinc/64/88/30/357648830.db2.gz OIWMFSGPDNZREM-UWVGGRQHSA-N 1 1 308.338 1.671 20 5 DDBDMO COc1nc(C)cc(C)c1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000598650257 357670050 /nfs/dbraw/zinc/67/00/50/357670050.db2.gz UATGJQROTWOCHZ-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000598650257 357670055 /nfs/dbraw/zinc/67/00/55/357670055.db2.gz UATGJQROTWOCHZ-UHFFFAOYSA-N 1 1 319.365 1.944 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000598563068 357634361 /nfs/dbraw/zinc/63/43/61/357634361.db2.gz ZXLLAWLYSUKOFZ-LBPRGKRZSA-N 1 1 321.381 1.180 20 5 DDBDMO COc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599175503 357840272 /nfs/dbraw/zinc/84/02/72/357840272.db2.gz DDYOGIJAIUPXRP-SECBINFHSA-N 1 1 315.757 1.735 20 5 DDBDMO COc1cc(NCC[N@H+]2CC[C@@H](O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599175503 357840276 /nfs/dbraw/zinc/84/02/76/357840276.db2.gz DDYOGIJAIUPXRP-SECBINFHSA-N 1 1 315.757 1.735 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC1(C)COC1 ZINC000599571635 357979141 /nfs/dbraw/zinc/97/91/41/357979141.db2.gz OKMJQLAWSBIYKR-NSHDSACASA-N 1 1 307.350 1.890 20 5 DDBDMO O=C(C[NH+](C1CC1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599594204 357986005 /nfs/dbraw/zinc/98/60/05/357986005.db2.gz LRRBZSOOHRSKTA-UHFFFAOYSA-N 1 1 319.317 1.889 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000600835037 358329366 /nfs/dbraw/zinc/32/93/66/358329366.db2.gz HAMIOUGPZSRLNE-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000348090771 283363460 /nfs/dbraw/zinc/36/34/60/283363460.db2.gz YHOFYWXSOAVSNB-UHFFFAOYSA-N 1 1 323.349 1.048 20 5 DDBDMO COc1ccc(CC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000565581206 304077021 /nfs/dbraw/zinc/07/70/21/304077021.db2.gz YCPYOZVSIZQUGU-GXTWGEPZSA-N 1 1 319.361 1.308 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180931574 199228869 /nfs/dbraw/zinc/22/88/69/199228869.db2.gz DDQMAYLUHYSTNI-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601134819 358416316 /nfs/dbraw/zinc/41/63/16/358416316.db2.gz LXJVXQBCFXDYOB-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO CC[N@H+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601134819 358416321 /nfs/dbraw/zinc/41/63/21/358416321.db2.gz LXJVXQBCFXDYOB-MRVPVSSYSA-N 1 1 321.303 1.878 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776273 358690551 /nfs/dbraw/zinc/69/05/51/358690551.db2.gz IGBIWJSGGJZNGJ-OAHLLOKOSA-N 1 1 309.366 1.259 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4COC[C@@H]4C3)o2)cc1 ZINC000601974903 358760964 /nfs/dbraw/zinc/76/09/64/358760964.db2.gz STUTTZCABTYDMW-TXEJJXNPSA-N 1 1 316.317 1.723 20 5 DDBDMO C[N@H+](CCC(N)=O)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653703 359103171 /nfs/dbraw/zinc/10/31/71/359103171.db2.gz IXXRFCUTUPVNIU-UHFFFAOYSA-N 1 1 322.184 1.726 20 5 DDBDMO C[N@@H+](CCC(N)=O)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653703 359103175 /nfs/dbraw/zinc/10/31/75/359103175.db2.gz IXXRFCUTUPVNIU-UHFFFAOYSA-N 1 1 322.184 1.726 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602931188 359300541 /nfs/dbraw/zinc/30/05/41/359300541.db2.gz MJZOEUBALIEKHX-SNPRPXQTSA-N 1 1 324.377 1.427 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000603141670 359430162 /nfs/dbraw/zinc/43/01/62/359430162.db2.gz HDDVXJUNRCGEPM-LBPRGKRZSA-N 1 1 323.397 1.614 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n1 ZINC000603141670 359430165 /nfs/dbraw/zinc/43/01/65/359430165.db2.gz HDDVXJUNRCGEPM-LBPRGKRZSA-N 1 1 323.397 1.614 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000186935309 200035070 /nfs/dbraw/zinc/03/50/70/200035070.db2.gz CTDNJNKHJHUNAT-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000186935309 200035072 /nfs/dbraw/zinc/03/50/72/200035072.db2.gz CTDNJNKHJHUNAT-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO Cc1cc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603400378 359616638 /nfs/dbraw/zinc/61/66/38/359616638.db2.gz GZOMUBLASOXKNQ-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186965925 200039882 /nfs/dbraw/zinc/03/98/82/200039882.db2.gz BFJYEJUMUQSHHD-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000189212025 200364855 /nfs/dbraw/zinc/36/48/55/200364855.db2.gz OTPIPEORKNZCNY-LBPRGKRZSA-N 1 1 321.377 1.983 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610446799 360438218 /nfs/dbraw/zinc/43/82/18/360438218.db2.gz GNHGTMHZQSFTTF-UHFFFAOYSA-N 1 1 323.349 1.785 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610580821 360476148 /nfs/dbraw/zinc/47/61/48/360476148.db2.gz NJEMIZQZBXWWPK-VIFPVBQESA-N 1 1 304.306 1.433 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610580821 360476150 /nfs/dbraw/zinc/47/61/50/360476150.db2.gz NJEMIZQZBXWWPK-VIFPVBQESA-N 1 1 304.306 1.433 20 5 DDBDMO O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762619 360530943 /nfs/dbraw/zinc/53/09/43/360530943.db2.gz GUAXHQIEJUSUCF-TZMCWYRMSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@H]2CCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610762619 360530947 /nfs/dbraw/zinc/53/09/47/360530947.db2.gz GUAXHQIEJUSUCF-TZMCWYRMSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359028229 299310922 /nfs/dbraw/zinc/31/09/22/299310922.db2.gz PJPJJKMDNPUGDK-VXGBXAGGSA-N 1 1 305.338 1.160 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611255648 360680688 /nfs/dbraw/zinc/68/06/88/360680688.db2.gz XIYXXHDOTCYQHG-JTQLQIEISA-N 1 1 322.317 1.361 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611255648 360680691 /nfs/dbraw/zinc/68/06/91/360680691.db2.gz XIYXXHDOTCYQHG-JTQLQIEISA-N 1 1 322.317 1.361 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](CCO)C1)OCCO2 ZINC000611268915 360683799 /nfs/dbraw/zinc/68/37/99/360683799.db2.gz FAIQNSNPZRQYAD-LBPRGKRZSA-N 1 1 322.361 1.960 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000611287540 360689609 /nfs/dbraw/zinc/68/96/09/360689609.db2.gz HFCOGYMXJSLJBM-MFKMUULPSA-N 1 1 308.334 1.569 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000611223065 360667325 /nfs/dbraw/zinc/66/73/25/360667325.db2.gz QFCAMVJYTOTHEO-NSHDSACASA-N 1 1 314.345 1.967 20 5 DDBDMO C[N@H+](Cc1cn[nH]c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612108173 360921663 /nfs/dbraw/zinc/92/16/63/360921663.db2.gz QKZYCFKIEDMEAN-LBPRGKRZSA-N 1 1 306.322 1.190 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000264595009 204016401 /nfs/dbraw/zinc/01/64/01/204016401.db2.gz AYWYXVQJSNDVTL-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO Cc1nn(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000266408993 205325724 /nfs/dbraw/zinc/32/57/24/205325724.db2.gz ZFPQYZTZKJBFBI-YOGCLGLASA-N 1 1 321.381 1.382 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273764917 211038739 /nfs/dbraw/zinc/03/87/39/211038739.db2.gz PSROXLNKMUHJPH-AWEZNQCLSA-N 1 1 318.377 1.939 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939983 251289478 /nfs/dbraw/zinc/28/94/78/251289478.db2.gz XTJUVCLSYINTFS-CABZTGNLSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000340939983 251289483 /nfs/dbraw/zinc/28/94/83/251289483.db2.gz XTJUVCLSYINTFS-CABZTGNLSA-N 1 1 304.306 1.600 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000063711008 184286593 /nfs/dbraw/zinc/28/65/93/184286593.db2.gz QSNWPMXPANBSSG-ZDUSSCGKSA-N 1 1 323.397 1.336 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000269189254 207309315 /nfs/dbraw/zinc/30/93/15/207309315.db2.gz GZOLZZLGUOXHQZ-UHFFFAOYSA-N 1 1 307.354 1.231 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000114374054 194651259 /nfs/dbraw/zinc/65/12/59/194651259.db2.gz PYHMIDVSMXQSII-LLVKDONJSA-N 1 1 322.365 1.139 20 5 DDBDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000120085523 195093715 /nfs/dbraw/zinc/09/37/15/195093715.db2.gz XVTPQQOKTXGMFA-CQSZACIVSA-N 1 1 321.377 1.941 20 5 DDBDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000120085523 195093717 /nfs/dbraw/zinc/09/37/17/195093717.db2.gz XVTPQQOKTXGMFA-CQSZACIVSA-N 1 1 321.377 1.941 20 5 DDBDMO O=c1[nH]cnc2cc(N3CC[NH+](C4CC4)CC3)c([N+](=O)[O-])cc21 ZINC000301067230 285098553 /nfs/dbraw/zinc/09/85/53/285098553.db2.gz DEMFBJSAEQUROG-UHFFFAOYSA-N 1 1 315.333 1.528 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000120178157 195113276 /nfs/dbraw/zinc/11/32/76/195113276.db2.gz ZIKLIVQIAPNKFI-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000413475027 533101766 /nfs/dbraw/zinc/10/17/66/533101766.db2.gz NLQQEVQQHORBKD-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352657690 285201668 /nfs/dbraw/zinc/20/16/68/285201668.db2.gz BYTRMFTTXVUSFK-KGLIPLIRSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000120691067 195218417 /nfs/dbraw/zinc/21/84/17/195218417.db2.gz HMGIBVXCJZTOJJ-WFASDCNBSA-N 1 1 321.377 1.772 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295101438 533218732 /nfs/dbraw/zinc/21/87/32/533218732.db2.gz SVMBYHFEFPINML-ZDUSSCGKSA-N 1 1 314.363 1.668 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295101438 533218738 /nfs/dbraw/zinc/21/87/38/533218738.db2.gz SVMBYHFEFPINML-ZDUSSCGKSA-N 1 1 314.363 1.668 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000289812284 221243042 /nfs/dbraw/zinc/24/30/42/221243042.db2.gz ZJMXQQGSIBPXFY-UHFFFAOYSA-N 1 1 305.342 1.169 20 5 DDBDMO COCCCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419385610 533251112 /nfs/dbraw/zinc/25/11/12/533251112.db2.gz LDANYKXTWWVLLS-UHFFFAOYSA-N 1 1 321.377 1.842 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000579730210 422823716 /nfs/dbraw/zinc/82/37/16/422823716.db2.gz LWADTVMDQFOPTC-SNVBAGLBSA-N 1 1 309.370 1.422 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C(C)(C)C1 ZINC000569496849 304358657 /nfs/dbraw/zinc/35/86/57/304358657.db2.gz WLKSHYCOQLOGQV-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286103529 292295026 /nfs/dbraw/zinc/29/50/26/292295026.db2.gz IMKWPJREWIEHLL-ABAIWWIYSA-N 1 1 307.350 1.276 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000570083596 304395024 /nfs/dbraw/zinc/39/50/24/304395024.db2.gz GGINRTPZSPYELO-UHFFFAOYSA-N 1 1 322.365 1.173 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000069220831 406692635 /nfs/dbraw/zinc/69/26/35/406692635.db2.gz JPLWMAXQUJVQNB-JTQLQIEISA-N 1 1 309.370 1.485 20 5 DDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000070076793 406808856 /nfs/dbraw/zinc/80/88/56/406808856.db2.gz QNYMVCFDOJRHAQ-AOOOYVTPSA-N 1 1 313.379 1.274 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000073997594 406899290 /nfs/dbraw/zinc/89/92/90/406899290.db2.gz JGWXCWQPPJAIJI-DZGCQCFKSA-N 1 1 303.362 1.832 20 5 DDBDMO CN1CC[NH+](CCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044355473 407022418 /nfs/dbraw/zinc/02/24/18/407022418.db2.gz PRQNUENTEZRXSO-UHFFFAOYSA-N 1 1 312.395 1.024 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522634 407151602 /nfs/dbraw/zinc/15/16/02/407151602.db2.gz BPSBCYFCVHBNSC-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO CC(C)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102329203 407321544 /nfs/dbraw/zinc/32/15/44/407321544.db2.gz SAFQJEKFQIFXKC-UHFFFAOYSA-N 1 1 309.370 1.079 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123964011 407344228 /nfs/dbraw/zinc/34/42/28/407344228.db2.gz FZGLJLNHCFQXAB-IUCAKERBSA-N 1 1 317.342 1.105 20 5 DDBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)o1 ZINC000125384276 407387601 /nfs/dbraw/zinc/38/76/01/407387601.db2.gz GXWHGOOBJZNBOP-UHFFFAOYSA-N 1 1 308.338 1.841 20 5 DDBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C)o1 ZINC000125384276 407387603 /nfs/dbraw/zinc/38/76/03/407387603.db2.gz GXWHGOOBJZNBOP-UHFFFAOYSA-N 1 1 308.338 1.841 20 5 DDBDMO C[C@@H](C[S@](C)=O)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159122 407407035 /nfs/dbraw/zinc/40/70/35/407407035.db2.gz DBVNIYMGBRDROW-QZHJKPJSSA-N 1 1 300.380 1.327 20 5 DDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000126159122 407407037 /nfs/dbraw/zinc/40/70/37/407407037.db2.gz DBVNIYMGBRDROW-QZHJKPJSSA-N 1 1 300.380 1.327 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000127418420 407435946 /nfs/dbraw/zinc/43/59/46/407435946.db2.gz MGUPOCLOGORBCA-BXUZGUMPSA-N 1 1 320.393 1.979 20 5 DDBDMO CC(C)c1ccc(CN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000127864140 407473645 /nfs/dbraw/zinc/47/36/45/407473645.db2.gz HHONTAXJBODQQY-UHFFFAOYSA-N 1 1 307.394 1.828 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270983942 407451673 /nfs/dbraw/zinc/45/16/73/407451673.db2.gz XOXCUFLCPGPQHA-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270983942 407451677 /nfs/dbraw/zinc/45/16/77/407451677.db2.gz XOXCUFLCPGPQHA-JTNHKYCSSA-N 1 1 307.350 1.625 20 5 DDBDMO CC(C)CC[NH+]1CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000152329956 407609562 /nfs/dbraw/zinc/60/95/62/407609562.db2.gz IFUOQSATSWLQTJ-UHFFFAOYSA-N 1 1 323.397 1.806 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171192861 407625021 /nfs/dbraw/zinc/62/50/21/407625021.db2.gz XNCUOZIHKRVUMO-CQSZACIVSA-N 1 1 306.366 1.531 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)Cc2cccnc2)c1 ZINC000178867033 407633791 /nfs/dbraw/zinc/63/37/91/407633791.db2.gz ROLYUIYRMNQTIA-INIZCTEOSA-N 1 1 317.345 1.518 20 5 DDBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879420 407708915 /nfs/dbraw/zinc/70/89/15/407708915.db2.gz PTXFMOQIANTXKX-IPYPFGDCSA-N 1 1 324.377 1.570 20 5 DDBDMO Cc1[nH]nc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272242306 407830662 /nfs/dbraw/zinc/83/06/62/407830662.db2.gz XUHORKZOQHLCMZ-SNVBAGLBSA-N 1 1 309.370 1.429 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000268147748 407913343 /nfs/dbraw/zinc/91/33/43/407913343.db2.gz FKWCDIKLEIEZFC-LKFCYVNXSA-N 1 1 307.325 1.946 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499373 407949954 /nfs/dbraw/zinc/94/99/54/407949954.db2.gz DLLOUYOSBCQEPA-AVGNSLFASA-N 1 1 321.377 1.933 20 5 DDBDMO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000262768046 407922745 /nfs/dbraw/zinc/92/27/45/407922745.db2.gz TVDXZADYHAEZKR-NOZJJQNGSA-N 1 1 317.349 1.813 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000118751820 407940236 /nfs/dbraw/zinc/94/02/36/407940236.db2.gz FBKHIMUNNXASHQ-CQSZACIVSA-N 1 1 322.365 1.515 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000135532077 408028013 /nfs/dbraw/zinc/02/80/13/408028013.db2.gz JASJCATXCOAPOF-LBPRGKRZSA-N 1 1 321.381 1.343 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024088 408023122 /nfs/dbraw/zinc/02/31/22/408023122.db2.gz LNIAOFZVFUROPF-MJBXVCDLSA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273024088 408023127 /nfs/dbraw/zinc/02/31/27/408023127.db2.gz LNIAOFZVFUROPF-MJBXVCDLSA-N 1 1 324.377 1.834 20 5 DDBDMO COC(=O)c1cc(NC(=O)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000136150392 408082684 /nfs/dbraw/zinc/08/26/84/408082684.db2.gz SBYKLVZMZVMNKY-UHFFFAOYSA-N 1 1 309.322 1.660 20 5 DDBDMO CNC(=O)CCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000154969738 408109146 /nfs/dbraw/zinc/10/91/46/408109146.db2.gz GCWGUSBXQIFJES-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000154969738 408109152 /nfs/dbraw/zinc/10/91/52/408109152.db2.gz GCWGUSBXQIFJES-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000175405472 408122345 /nfs/dbraw/zinc/12/23/45/408122345.db2.gz WWVZXTYJWQYNKW-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273572937 408251874 /nfs/dbraw/zinc/25/18/74/408251874.db2.gz DMZVKHCBNHDWEH-JSGCOSHPSA-N 1 1 323.397 1.934 20 5 DDBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1CCC[N@@H+](C)C1 ZINC000151119976 408259959 /nfs/dbraw/zinc/25/99/59/408259959.db2.gz SMVRCFPDQYRAEB-SNVBAGLBSA-N 1 1 310.329 1.482 20 5 DDBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182625933 408208736 /nfs/dbraw/zinc/20/87/36/408208736.db2.gz QOBRXDPWTZDNBD-NSHDSACASA-N 1 1 311.338 1.030 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3nccs3)CC2)n1 ZINC000176218172 408312939 /nfs/dbraw/zinc/31/29/39/408312939.db2.gz IBUJBKGYHSDPRR-UHFFFAOYSA-N 1 1 322.394 1.460 20 5 DDBDMO CN1CCO[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000130962712 162000931 /nfs/dbraw/zinc/00/09/31/162000931.db2.gz IXIQNULCYYRIOZ-JKSUJKDBSA-N 1 1 321.377 1.379 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000173466629 162341836 /nfs/dbraw/zinc/34/18/36/162341836.db2.gz ARMXDQKYESMEPD-LBPRGKRZSA-N 1 1 302.338 1.410 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543562 408445631 /nfs/dbraw/zinc/44/56/31/408445631.db2.gz UUUKGIOXRAHXEU-IINYFYTJSA-N 1 1 306.366 1.589 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000274417842 408397743 /nfs/dbraw/zinc/39/77/43/408397743.db2.gz IFRIZGKRLSRQMH-LLVKDONJSA-N 1 1 306.366 1.591 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000274660456 408485491 /nfs/dbraw/zinc/48/54/91/408485491.db2.gz YSMGRNGSUQXUFB-MNOVXSKESA-N 1 1 306.366 1.732 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000264477037 408506138 /nfs/dbraw/zinc/50/61/38/408506138.db2.gz HFHMAWUWEDMDIC-LBPRGKRZSA-N 1 1 323.349 1.054 20 5 DDBDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475396 408507159 /nfs/dbraw/zinc/50/71/59/408507159.db2.gz YPJSBOZDQBIYQZ-DOMZBBRYSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000264475396 408507166 /nfs/dbraw/zinc/50/71/66/408507166.db2.gz YPJSBOZDQBIYQZ-DOMZBBRYSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177131067 408528009 /nfs/dbraw/zinc/52/80/09/408528009.db2.gz IPPDAVNWHXXDAH-YPMHNXCESA-N 1 1 303.362 1.879 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161403773 408600518 /nfs/dbraw/zinc/60/05/18/408600518.db2.gz MIJYZYZAUUQHTQ-GXSJLCMTSA-N 1 1 309.370 1.095 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264622037 408543324 /nfs/dbraw/zinc/54/33/24/408543324.db2.gz LKXWOEHDEDPEFO-UHFFFAOYSA-N 1 1 307.350 1.528 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248691459 408616672 /nfs/dbraw/zinc/61/66/72/408616672.db2.gz ZAJZBEXLTFMJHT-BONVTDFDSA-N 1 1 318.333 1.330 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000248691459 408616675 /nfs/dbraw/zinc/61/66/75/408616675.db2.gz ZAJZBEXLTFMJHT-BONVTDFDSA-N 1 1 318.333 1.330 20 5 DDBDMO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1[N+](=O)[O-] ZINC000192688227 408632531 /nfs/dbraw/zinc/63/25/31/408632531.db2.gz VINLCSHBZIEAMB-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1[N+](=O)[O-] ZINC000192688227 408632536 /nfs/dbraw/zinc/63/25/36/408632536.db2.gz VINLCSHBZIEAMB-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1[N+](=O)[O-] ZINC000192688227 408632542 /nfs/dbraw/zinc/63/25/42/408632542.db2.gz VINLCSHBZIEAMB-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000192782701 408646014 /nfs/dbraw/zinc/64/60/14/408646014.db2.gz LIAJAQUQUVLQKS-GFCCVEGCSA-N 1 1 320.393 1.867 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000248958887 408666837 /nfs/dbraw/zinc/66/68/37/408666837.db2.gz QPTVSRPXTLNHJM-QMTHXVAHSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000248958887 408666841 /nfs/dbraw/zinc/66/68/41/408666841.db2.gz QPTVSRPXTLNHJM-QMTHXVAHSA-N 1 1 307.350 1.544 20 5 DDBDMO Nc1nc(N2CCC[N@H+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000265553913 408693619 /nfs/dbraw/zinc/69/36/19/408693619.db2.gz HPEKSBWOCKCLMA-UHFFFAOYSA-N 1 1 306.370 1.422 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142193 408700227 /nfs/dbraw/zinc/70/02/27/408700227.db2.gz QZVOVBDFJQJIKV-ZYHUDNBSSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142193 408700234 /nfs/dbraw/zinc/70/02/34/408700234.db2.gz QZVOVBDFJQJIKV-ZYHUDNBSSA-N 1 1 323.397 1.683 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000249142193 408700238 /nfs/dbraw/zinc/70/02/38/408700238.db2.gz QZVOVBDFJQJIKV-ZYHUDNBSSA-N 1 1 323.397 1.683 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270840121 408702690 /nfs/dbraw/zinc/70/26/90/408702690.db2.gz DXEKGTVXRFHTLQ-ZLDLUXBVSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178347978 408809690 /nfs/dbraw/zinc/80/96/90/408809690.db2.gz BIDBDBXQIXEQFI-GFCCVEGCSA-N 1 1 310.350 1.951 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756985 408772388 /nfs/dbraw/zinc/77/23/88/408772388.db2.gz GITOOJMKOJQUNZ-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000191481362 163188290 /nfs/dbraw/zinc/18/82/90/163188290.db2.gz GILBIRPHFOUZQG-UHFFFAOYSA-N 1 1 301.302 1.962 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286174127 408936656 /nfs/dbraw/zinc/93/66/56/408936656.db2.gz WXNUBHGNSABBKV-WMLDXEAASA-N 1 1 319.405 1.932 20 5 DDBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000286223742 408945155 /nfs/dbraw/zinc/94/51/55/408945155.db2.gz YVIGNNKPZVQCDH-XJKSGUPXSA-N 1 1 305.378 1.890 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCC1 ZINC000292098068 408979675 /nfs/dbraw/zinc/97/96/75/408979675.db2.gz HPRNTFJOPZGDSY-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)C1 ZINC000277791492 409012705 /nfs/dbraw/zinc/01/27/05/409012705.db2.gz NJIXGLTXAXHXQR-NXEZZACHSA-N 1 1 321.337 1.022 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4nonc43)C2)C1 ZINC000292329193 409025648 /nfs/dbraw/zinc/02/56/48/409025648.db2.gz PHPBHUSLAXTPQP-CQSZACIVSA-N 1 1 303.322 1.663 20 5 DDBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282349959 409038798 /nfs/dbraw/zinc/03/87/98/409038798.db2.gz ANMHSDHKQXSCPT-CYBMUJFWSA-N 1 1 305.334 1.564 20 5 DDBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282349959 409038799 /nfs/dbraw/zinc/03/87/99/409038799.db2.gz ANMHSDHKQXSCPT-CYBMUJFWSA-N 1 1 305.334 1.564 20 5 DDBDMO C[N@H+](CCCS(C)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282402660 409048352 /nfs/dbraw/zinc/04/83/52/409048352.db2.gz HUPKJSMQWYCBDR-UHFFFAOYSA-N 1 1 300.380 1.504 20 5 DDBDMO C[N@@H+](CCCS(C)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282402660 409048355 /nfs/dbraw/zinc/04/83/55/409048355.db2.gz HUPKJSMQWYCBDR-UHFFFAOYSA-N 1 1 300.380 1.504 20 5 DDBDMO O=[N+]([O-])c1c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc2sccn21 ZINC000316905083 164024573 /nfs/dbraw/zinc/02/45/73/164024573.db2.gz XYHZFJRXEWLBRM-ZJUUUORDSA-N 1 1 323.378 1.579 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408069487 164216799 /nfs/dbraw/zinc/21/67/99/164216799.db2.gz BVJUOJIYYHSDGS-GHMZBOCLSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408069487 164216801 /nfs/dbraw/zinc/21/68/01/164216801.db2.gz BVJUOJIYYHSDGS-GHMZBOCLSA-N 1 1 309.370 1.077 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408112161 164231942 /nfs/dbraw/zinc/23/19/42/164231942.db2.gz IPURNLOLOVAOKJ-VIFPVBQESA-N 1 1 303.322 1.247 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408112161 164231943 /nfs/dbraw/zinc/23/19/43/164231943.db2.gz IPURNLOLOVAOKJ-VIFPVBQESA-N 1 1 303.322 1.247 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000290682248 409485576 /nfs/dbraw/zinc/48/55/76/409485576.db2.gz QPGNKRGOFMJGHQ-UHFFFAOYSA-N 1 1 322.409 1.550 20 5 DDBDMO CN(CCCN(C)C(=O)c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000290682248 409485580 /nfs/dbraw/zinc/48/55/80/409485580.db2.gz QPGNKRGOFMJGHQ-UHFFFAOYSA-N 1 1 322.409 1.550 20 5 DDBDMO O=C1[C@@H]([NH+]2CCC(O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304001329 409561638 /nfs/dbraw/zinc/56/16/38/409561638.db2.gz RETLHZHUZUYZRJ-AWEZNQCLSA-N 1 1 305.334 1.157 20 5 DDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000304237606 409581813 /nfs/dbraw/zinc/58/18/13/409581813.db2.gz QOBSBPLWXBPQDL-UHFFFAOYSA-N 1 1 323.349 1.596 20 5 DDBDMO C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304290952 409596899 /nfs/dbraw/zinc/59/68/99/409596899.db2.gz GNVBVCABYHPNED-CQSZACIVSA-N 1 1 308.313 1.423 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000297169129 409837205 /nfs/dbraw/zinc/83/72/05/409837205.db2.gz PKYXVPFMHMMACH-SNVBAGLBSA-N 1 1 305.338 1.604 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354371979 409802119 /nfs/dbraw/zinc/80/21/19/409802119.db2.gz LCBIOUGEKGJWLR-NSHDSACASA-N 1 1 306.366 1.639 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2cccnc2)CC1 ZINC000298059937 410095261 /nfs/dbraw/zinc/09/52/61/410095261.db2.gz JZOCNWFJPZUPSM-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CO)C1 ZINC000298085333 410105313 /nfs/dbraw/zinc/10/53/13/410105313.db2.gz HDSOPHLPDZHQMR-CYBMUJFWSA-N 1 1 321.377 1.936 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000346729355 410116837 /nfs/dbraw/zinc/11/68/37/410116837.db2.gz OGJSTBVDCUNGMH-MRXNPFEDSA-N 1 1 321.377 1.055 20 5 DDBDMO CC(C)OCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298159931 410124327 /nfs/dbraw/zinc/12/43/27/410124327.db2.gz SKBVIJYGZRHBTP-UHFFFAOYSA-N 1 1 308.382 1.927 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000193143901 306726547 /nfs/dbraw/zinc/72/65/47/306726547.db2.gz QMYDYYIBZOVPST-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO COc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000332671546 410203520 /nfs/dbraw/zinc/20/35/20/410203520.db2.gz ZQYJLPVWNKONAF-NWDGAFQWSA-N 1 1 319.361 1.912 20 5 DDBDMO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347011820 410312434 /nfs/dbraw/zinc/31/24/34/410312434.db2.gz MNMPLZRQMTYPPW-CQSZACIVSA-N 1 1 319.361 1.669 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299109238 410526675 /nfs/dbraw/zinc/52/66/75/410526675.db2.gz WHOKHPUMAZIVRA-OLZOCXBDSA-N 1 1 304.350 1.534 20 5 DDBDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000352228520 410561089 /nfs/dbraw/zinc/56/10/89/410561089.db2.gz ZYXFCXVOVABRBI-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000352952636 410699652 /nfs/dbraw/zinc/69/96/52/410699652.db2.gz VXJVMUKNUPRGIM-MNOVXSKESA-N 1 1 313.379 1.356 20 5 DDBDMO CC[C@]1(C)COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762177 410678912 /nfs/dbraw/zinc/67/89/12/410678912.db2.gz KUQLDNKEIYNLCT-XJKSGUPXSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762177 410678916 /nfs/dbraw/zinc/67/89/16/410678916.db2.gz KUQLDNKEIYNLCT-XJKSGUPXSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)CC1(C)C ZINC000330574539 410792436 /nfs/dbraw/zinc/79/24/36/410792436.db2.gz POFNBKCZVTVQNH-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000302747397 410857379 /nfs/dbraw/zinc/85/73/79/410857379.db2.gz GAVZRNVOLWPSLG-SNVBAGLBSA-N 1 1 308.338 1.530 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000343995408 410876250 /nfs/dbraw/zinc/87/62/50/410876250.db2.gz QISFDSGASFYJDQ-YOENINGUSA-N 1 1 322.361 1.037 20 5 DDBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC1 ZINC000337621267 410902609 /nfs/dbraw/zinc/90/26/09/410902609.db2.gz OSPRHTBGMRSZRW-NSHDSACASA-N 1 1 309.391 1.897 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000290970449 222037590 /nfs/dbraw/zinc/03/75/90/222037590.db2.gz SXFBKXSPSVGPIY-GFCCVEGCSA-N 1 1 309.366 1.819 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]12 ZINC000368238174 418708875 /nfs/dbraw/zinc/70/88/75/418708875.db2.gz BLLGAWVFIYEJSD-PWSUYJOCSA-N 1 1 309.753 1.816 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]12 ZINC000368238174 418708878 /nfs/dbraw/zinc/70/88/78/418708878.db2.gz BLLGAWVFIYEJSD-PWSUYJOCSA-N 1 1 309.753 1.816 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000361587999 418687577 /nfs/dbraw/zinc/68/75/77/418687577.db2.gz DBNGDFMBAXEBQE-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000361587999 418687581 /nfs/dbraw/zinc/68/75/81/418687581.db2.gz DBNGDFMBAXEBQE-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408106102 418788822 /nfs/dbraw/zinc/78/88/22/418788822.db2.gz XBISAYXQOTZOKR-VHSXEESVSA-N 1 1 317.349 1.772 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000364620491 418794810 /nfs/dbraw/zinc/79/48/10/418794810.db2.gz TVUPZUQCDXLGGN-INIZCTEOSA-N 1 1 321.377 1.792 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[N@@H+]3CCOC[C@H]3C1)CCN2 ZINC000365544870 418874320 /nfs/dbraw/zinc/87/43/20/418874320.db2.gz IJPJDSFDLITJKK-LLVKDONJSA-N 1 1 304.350 1.084 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1N1CC[N@H+]3CCOC[C@H]3C1)CCN2 ZINC000365544870 418874322 /nfs/dbraw/zinc/87/43/22/418874322.db2.gz IJPJDSFDLITJKK-LLVKDONJSA-N 1 1 304.350 1.084 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000411692355 419381654 /nfs/dbraw/zinc/38/16/54/419381654.db2.gz JZVUSVAGNACHDM-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000412044204 419586276 /nfs/dbraw/zinc/58/62/76/419586276.db2.gz WIVAFEZXICPFTG-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000427058710 419589517 /nfs/dbraw/zinc/58/95/17/419589517.db2.gz FIPLTUINBOLBGI-MFKMUULPSA-N 1 1 307.350 1.816 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079256 419629441 /nfs/dbraw/zinc/62/94/41/419629441.db2.gz LCOYBTLIODQPGN-OLZOCXBDSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412079256 419629448 /nfs/dbraw/zinc/62/94/48/419629448.db2.gz LCOYBTLIODQPGN-OLZOCXBDSA-N 1 1 321.377 1.650 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1 ZINC000427393466 419651630 /nfs/dbraw/zinc/65/16/30/419651630.db2.gz ZZDSLKBDXISRBV-QWRGUYRKSA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1 ZINC000427393466 419651636 /nfs/dbraw/zinc/65/16/36/419651636.db2.gz ZZDSLKBDXISRBV-QWRGUYRKSA-N 1 1 309.370 1.366 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299263971 229015808 /nfs/dbraw/zinc/01/58/08/229015808.db2.gz WMZWNTVRDGMPQO-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO C[C@@]12CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]1C2(F)F ZINC000428736053 419922870 /nfs/dbraw/zinc/92/28/70/419922870.db2.gz RQGYYOFJHXSQDJ-WCQYABFASA-N 1 1 313.304 1.734 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435244260 229365906 /nfs/dbraw/zinc/36/59/06/229365906.db2.gz CKYAVMRFGJEGPK-LLVKDONJSA-N 1 1 315.333 1.438 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429881829 420056100 /nfs/dbraw/zinc/05/61/00/420056100.db2.gz DMRUDBQORPFEMZ-LBPRGKRZSA-N 1 1 305.378 1.940 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CN)CCC1 ZINC000420325101 420210718 /nfs/dbraw/zinc/21/07/18/420210718.db2.gz IAVIUVKRNWRKJV-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(CN)CCC1 ZINC000420325101 420210724 /nfs/dbraw/zinc/21/07/24/420210724.db2.gz IAVIUVKRNWRKJV-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000434709119 420261317 /nfs/dbraw/zinc/26/13/17/420261317.db2.gz FRKBWCINOMJVRJ-CYBMUJFWSA-N 1 1 323.393 1.756 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000434709119 420261322 /nfs/dbraw/zinc/26/13/22/420261322.db2.gz FRKBWCINOMJVRJ-CYBMUJFWSA-N 1 1 323.393 1.756 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)nc2c1 ZINC000444689729 230121596 /nfs/dbraw/zinc/12/15/96/230121596.db2.gz OQTYTQARUOFPNU-DRCTWCGVSA-N 1 1 302.334 1.674 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)nc2c1 ZINC000444689729 230121601 /nfs/dbraw/zinc/12/16/01/230121601.db2.gz OQTYTQARUOFPNU-DRCTWCGVSA-N 1 1 302.334 1.674 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000454155782 420808249 /nfs/dbraw/zinc/80/82/49/420808249.db2.gz XCDJSJUUHMQXQM-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000454155782 420808251 /nfs/dbraw/zinc/80/82/51/420808251.db2.gz XCDJSJUUHMQXQM-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)o2)c1 ZINC000459694206 420849259 /nfs/dbraw/zinc/84/92/59/420849259.db2.gz GDAOKEYKYPTNSD-DOMZBBRYSA-N 1 1 318.329 1.640 20 5 DDBDMO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449697427 421061426 /nfs/dbraw/zinc/06/14/26/421061426.db2.gz KWXHVWAKRHXNIT-GFCCVEGCSA-N 1 1 317.349 1.589 20 5 DDBDMO CNc1nc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000455996174 421085995 /nfs/dbraw/zinc/08/59/95/421085995.db2.gz OZMSABPLEXPVTN-ZWNOBZJWSA-N 1 1 319.365 1.198 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799334 421118404 /nfs/dbraw/zinc/11/84/04/421118404.db2.gz KJQKZVIWGSCKEF-YPMHNXCESA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000456342926 421146186 /nfs/dbraw/zinc/14/61/86/421146186.db2.gz GFBRLGPRYXDJKX-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450311680 421180519 /nfs/dbraw/zinc/18/05/19/421180519.db2.gz IXYXKWABQIHZCK-LLVKDONJSA-N 1 1 309.370 1.240 20 5 DDBDMO CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450311680 421180521 /nfs/dbraw/zinc/18/05/21/421180521.db2.gz IXYXKWABQIHZCK-LLVKDONJSA-N 1 1 309.370 1.240 20 5 DDBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539287 421207496 /nfs/dbraw/zinc/20/74/96/421207496.db2.gz JMAMGXCROZNZDX-NQBHXWOUSA-N 1 1 305.382 1.860 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000563530336 421518521 /nfs/dbraw/zinc/51/85/21/421518521.db2.gz OXQFHDRSPGEQCR-JTQLQIEISA-N 1 1 315.276 1.283 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563396122 421501894 /nfs/dbraw/zinc/50/18/94/421501894.db2.gz VCABHULQHQWGSK-NSHDSACASA-N 1 1 323.397 1.882 20 5 DDBDMO CN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010348 421588437 /nfs/dbraw/zinc/58/84/37/421588437.db2.gz JOZYWROWBHFUFA-TZMCWYRMSA-N 1 1 317.345 1.532 20 5 DDBDMO CN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000517010348 421588438 /nfs/dbraw/zinc/58/84/38/421588438.db2.gz JOZYWROWBHFUFA-TZMCWYRMSA-N 1 1 317.345 1.532 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(O)c1 ZINC000536377848 421717699 /nfs/dbraw/zinc/71/76/99/421717699.db2.gz GYLFPDNENQKKSL-UHFFFAOYSA-N 1 1 303.318 1.594 20 5 DDBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000556806916 421739858 /nfs/dbraw/zinc/73/98/58/421739858.db2.gz MFFPTKUTXOTPBR-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000556806916 421739860 /nfs/dbraw/zinc/73/98/60/421739860.db2.gz MFFPTKUTXOTPBR-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537814635 421735877 /nfs/dbraw/zinc/73/58/77/421735877.db2.gz FXYBWTMIMGMJGL-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000537814635 421735880 /nfs/dbraw/zinc/73/58/80/421735880.db2.gz FXYBWTMIMGMJGL-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000542652055 421826362 /nfs/dbraw/zinc/82/63/62/421826362.db2.gz UXGAFUVQZIOMTL-LLVKDONJSA-N 1 1 323.397 1.903 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201828 422330140 /nfs/dbraw/zinc/33/01/40/422330140.db2.gz WDTKQPMHNPKIDS-IJLUTSLNSA-N 1 1 308.334 1.512 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000597860961 422391916 /nfs/dbraw/zinc/39/19/16/422391916.db2.gz QJOFBPKBEAYUJV-SECBINFHSA-N 1 1 307.354 1.175 20 5 DDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000578503620 422583002 /nfs/dbraw/zinc/58/30/02/422583002.db2.gz BMOCHXFNLRIPFF-UHFFFAOYSA-N 1 1 309.322 1.992 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000341847523 271221426 /nfs/dbraw/zinc/22/14/26/271221426.db2.gz XYORYLQZPCGIJR-SNVBAGLBSA-N 1 1 320.349 1.733 20 5 DDBDMO COc1ccc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936393 533688360 /nfs/dbraw/zinc/68/83/60/533688360.db2.gz BNIXBNRPQNYNGA-HOTGVXAUSA-N 1 1 321.377 1.460 20 5 DDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964279 272376940 /nfs/dbraw/zinc/37/69/40/272376940.db2.gz QGPUQGUHNXXJDB-MNOVXSKESA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964279 272376943 /nfs/dbraw/zinc/37/69/43/272376943.db2.gz QGPUQGUHNXXJDB-MNOVXSKESA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964279 272376947 /nfs/dbraw/zinc/37/69/47/272376947.db2.gz QGPUQGUHNXXJDB-MNOVXSKESA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964279 272376950 /nfs/dbraw/zinc/37/69/50/272376950.db2.gz QGPUQGUHNXXJDB-MNOVXSKESA-N 1 1 323.397 1.996 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)C)CC2)n1 ZINC000280937188 274004309 /nfs/dbraw/zinc/00/43/09/274004309.db2.gz IAPTZTDYLKNOJP-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000127272871 281269867 /nfs/dbraw/zinc/26/98/67/281269867.db2.gz MEPPICMXHSDOKR-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732642 290244386 /nfs/dbraw/zinc/24/43/86/290244386.db2.gz GCQVBDUUNXUHKH-PWSUYJOCSA-N 1 1 319.365 1.009 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358062406 299061628 /nfs/dbraw/zinc/06/16/28/299061628.db2.gz HTVXAXXVGZNKIE-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO COc1ccc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000362588268 300102854 /nfs/dbraw/zinc/10/28/54/300102854.db2.gz KHXCRGXFWCFQNU-JQWIXIFHSA-N 1 1 307.350 1.417 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000362931670 300181452 /nfs/dbraw/zinc/18/14/52/300181452.db2.gz RWJLHNYEROKIGY-IAQYHMDHSA-N 1 1 303.362 1.677 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000363689697 300296173 /nfs/dbraw/zinc/29/61/73/300296173.db2.gz GWNPRVCFQTYLCF-OLZOCXBDSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363699845 300298116 /nfs/dbraw/zinc/29/81/16/300298116.db2.gz IZHDTXBHLAMCFQ-LBPRGKRZSA-N 1 1 305.334 1.611 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364433728 300396440 /nfs/dbraw/zinc/39/64/40/300396440.db2.gz VLOSITAVPPYYMG-LSDHHAIUSA-N 1 1 319.361 1.266 20 5 DDBDMO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422063 301024825 /nfs/dbraw/zinc/02/48/25/301024825.db2.gz KGZPAKLKQORXRQ-NWDGAFQWSA-N 1 1 302.338 1.979 20 5 DDBDMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422063 301024829 /nfs/dbraw/zinc/02/48/29/301024829.db2.gz KGZPAKLKQORXRQ-NWDGAFQWSA-N 1 1 302.338 1.979 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000368596850 301061935 /nfs/dbraw/zinc/06/19/35/301061935.db2.gz WFOKGLZMQIUMCF-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC000369981749 301251284 /nfs/dbraw/zinc/25/12/84/301251284.db2.gz CYMBKKKSLFGHQJ-MFKMUULPSA-N 1 1 319.365 1.128 20 5 DDBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000370261698 301304185 /nfs/dbraw/zinc/30/41/85/301304185.db2.gz NQCGUFRXCMXIKD-UHFFFAOYSA-N 1 1 301.306 1.453 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3CCCCCC[C@H]32)c1 ZINC000375852253 302004988 /nfs/dbraw/zinc/00/49/88/302004988.db2.gz WLCXRYGDGQNBPW-BPLDGKMQSA-N 1 1 308.382 1.807 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366304611 307070413 /nfs/dbraw/zinc/07/04/13/307070413.db2.gz ANBYSSWQTDZQJO-SUHUHFCYSA-N 1 1 317.345 1.559 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000366630832 307077886 /nfs/dbraw/zinc/07/78/86/307077886.db2.gz HLNCXLJEUMTGJN-OAHLLOKOSA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369542153 307123047 /nfs/dbraw/zinc/12/30/47/307123047.db2.gz RRWUGKMGWBOVGW-XJKSGUPXSA-N 1 1 320.345 1.606 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370886710 307139079 /nfs/dbraw/zinc/13/90/79/307139079.db2.gz QKRPFBLTDWWPQJ-JTQLQIEISA-N 1 1 307.354 1.191 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370886710 307139080 /nfs/dbraw/zinc/13/90/80/307139080.db2.gz QKRPFBLTDWWPQJ-JTQLQIEISA-N 1 1 307.354 1.191 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000370886710 307139081 /nfs/dbraw/zinc/13/90/81/307139081.db2.gz QKRPFBLTDWWPQJ-JTQLQIEISA-N 1 1 307.354 1.191 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1c[nH+]c2n1CCCC2 ZINC000375300490 307221095 /nfs/dbraw/zinc/22/10/95/307221095.db2.gz BBUSPVYQFAPTPM-UHFFFAOYSA-N 1 1 314.345 1.987 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000421021023 307300497 /nfs/dbraw/zinc/30/04/97/307300497.db2.gz NVWXYBAYCGTULF-VXGBXAGGSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000570780247 308179433 /nfs/dbraw/zinc/17/94/33/308179433.db2.gz NAJRSLZYSBVGRY-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC(C)O[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000570926353 308185924 /nfs/dbraw/zinc/18/59/24/308185924.db2.gz WCOBEQBLAIYVCG-GOEBONIOSA-N 1 1 324.377 1.834 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168850 308264009 /nfs/dbraw/zinc/26/40/09/308264009.db2.gz KUTFCXRCVTYYPU-WFASDCNBSA-N 1 1 311.382 1.185 20 5 DDBDMO COCCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574168850 308264010 /nfs/dbraw/zinc/26/40/10/308264010.db2.gz KUTFCXRCVTYYPU-WFASDCNBSA-N 1 1 311.382 1.185 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000583892211 337384068 /nfs/dbraw/zinc/38/40/68/337384068.db2.gz ZIFGKSKNRJFWGB-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331908278 534250035 /nfs/dbraw/zinc/25/00/35/534250035.db2.gz ALQZSRQGYVHPQL-VHSXEESVSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331908278 534250040 /nfs/dbraw/zinc/25/00/40/534250040.db2.gz ALQZSRQGYVHPQL-VHSXEESVSA-N 1 1 317.349 1.636 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000158198653 521612653 /nfs/dbraw/zinc/61/26/53/521612653.db2.gz PUQWPKFCVMMZAB-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCOCC1 ZINC000338375431 522946612 /nfs/dbraw/zinc/94/66/12/522946612.db2.gz GDDHLLGFICRFAQ-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CCOCC1 ZINC000338375431 522946619 /nfs/dbraw/zinc/94/66/19/522946619.db2.gz GDDHLLGFICRFAQ-UHFFFAOYSA-N 1 1 321.377 1.364 20 5 DDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000154777671 525730562 /nfs/dbraw/zinc/73/05/62/525730562.db2.gz SFYBMKYSJITJPQ-LDYMZIIASA-N 1 1 300.746 1.774 20 5 DDBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000154777671 525730572 /nfs/dbraw/zinc/73/05/72/525730572.db2.gz SFYBMKYSJITJPQ-LDYMZIIASA-N 1 1 300.746 1.774 20 5 DDBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459575334 526514550 /nfs/dbraw/zinc/51/45/50/526514550.db2.gz FJAAWLOTPGMXLO-HNNXBMFYSA-N 1 1 324.381 1.845 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299517422 528809333 /nfs/dbraw/zinc/80/93/33/528809333.db2.gz XBGPPGBZCPRYEU-UHFFFAOYSA-N 1 1 320.393 1.584 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000824994183 608554941 /nfs/dbraw/zinc/55/49/41/608554941.db2.gz UBYRWGVADQRACN-VHSXEESVSA-N 1 1 317.353 1.304 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000078231710 696448518 /nfs/dbraw/zinc/44/85/18/696448518.db2.gz OTXCSKKCCUKYJX-LLVKDONJSA-N 1 1 322.321 1.717 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000748350066 700112381 /nfs/dbraw/zinc/11/23/81/700112381.db2.gz NJFYHHMKNLRXBR-LLVKDONJSA-N 1 1 317.349 1.107 20 5 DDBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000748350066 700112383 /nfs/dbraw/zinc/11/23/83/700112383.db2.gz NJFYHHMKNLRXBR-LLVKDONJSA-N 1 1 317.349 1.107 20 5 DDBDMO NC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776581544 698120972 /nfs/dbraw/zinc/12/09/72/698120972.db2.gz JRXZQWUDTBNCMZ-CQSZACIVSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000777494324 698195614 /nfs/dbraw/zinc/19/56/14/698195614.db2.gz GCKZRFHVWLNVDT-LLVKDONJSA-N 1 1 324.406 1.290 20 5 DDBDMO C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000777494324 698195615 /nfs/dbraw/zinc/19/56/15/698195615.db2.gz GCKZRFHVWLNVDT-LLVKDONJSA-N 1 1 324.406 1.290 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000452182672 699185752 /nfs/dbraw/zinc/18/57/52/699185752.db2.gz IGNAKWAWHLDOFR-BPNCWPANSA-N 1 1 307.350 1.491 20 5 DDBDMO CO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000452182672 699185753 /nfs/dbraw/zinc/18/57/53/699185753.db2.gz IGNAKWAWHLDOFR-BPNCWPANSA-N 1 1 307.350 1.491 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)ccc1Cl ZINC000704788664 699238116 /nfs/dbraw/zinc/23/81/16/699238116.db2.gz QXZUHMMOOWFMOL-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)ccc1Cl ZINC000704788664 699238119 /nfs/dbraw/zinc/23/81/19/699238119.db2.gz QXZUHMMOOWFMOL-PHIMTYICSA-N 1 1 300.742 1.281 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CN1 ZINC000788385349 699310505 /nfs/dbraw/zinc/31/05/05/699310505.db2.gz YZLDFMJUXSNOPB-OAHLLOKOSA-N 1 1 315.333 1.114 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CC1 ZINC000790533071 699465514 /nfs/dbraw/zinc/46/55/14/699465514.db2.gz JLZRTUIPDDUMDO-NOZJJQNGSA-N 1 1 318.337 1.300 20 5 DDBDMO Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000731018845 699520957 /nfs/dbraw/zinc/52/09/57/699520957.db2.gz AWBWQIJAQSWFAQ-GFCCVEGCSA-N 1 1 304.350 1.391 20 5 DDBDMO C[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000791121124 699612169 /nfs/dbraw/zinc/61/21/69/699612169.db2.gz IPZDZCABHMPFDS-UHFFFAOYSA-N 1 1 315.732 1.704 20 5 DDBDMO COCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146629 699861723 /nfs/dbraw/zinc/86/17/23/699861723.db2.gz JHBWSCMFNUKICA-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO COCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146629 699861725 /nfs/dbraw/zinc/86/17/25/699861725.db2.gz JHBWSCMFNUKICA-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000742239462 699868876 /nfs/dbraw/zinc/86/88/76/699868876.db2.gz NDZVPLKILFQDNT-SNVBAGLBSA-N 1 1 317.349 1.685 20 5 DDBDMO NC(CC1CC1)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000742365505 699875876 /nfs/dbraw/zinc/87/58/76/699875876.db2.gz VTASGUVIVRNEFS-UHFFFAOYSA-N 1 1 318.333 1.782 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000796081346 699911018 /nfs/dbraw/zinc/91/10/18/699911018.db2.gz TUNPYINNYUAFOV-JKSUJKDBSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000796081346 699911019 /nfs/dbraw/zinc/91/10/19/699911019.db2.gz TUNPYINNYUAFOV-JKSUJKDBSA-N 1 1 322.361 1.510 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762715297 700904189 /nfs/dbraw/zinc/90/41/89/700904189.db2.gz BCVCMXSAFDSHKQ-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO COCCOCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000808236724 701510277 /nfs/dbraw/zinc/51/02/77/701510277.db2.gz KYUGHTIQDWHXDP-UHFFFAOYSA-N 1 1 323.353 1.200 20 5 DDBDMO COCCOCC[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000808236724 701510279 /nfs/dbraw/zinc/51/02/79/701510279.db2.gz KYUGHTIQDWHXDP-UHFFFAOYSA-N 1 1 323.353 1.200 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689950 701784930 /nfs/dbraw/zinc/78/49/30/701784930.db2.gz BFFUIIZGLKHCMK-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689950 701784934 /nfs/dbraw/zinc/78/49/34/701784934.db2.gz BFFUIIZGLKHCMK-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689950 701784938 /nfs/dbraw/zinc/78/49/38/701784938.db2.gz BFFUIIZGLKHCMK-NUEKZKHPSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000839718433 701795870 /nfs/dbraw/zinc/79/58/70/701795870.db2.gz POWFVVJUBHXFIP-OCVGTWLNSA-N 1 1 317.389 1.773 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879214395 706616757 /nfs/dbraw/zinc/61/67/57/706616757.db2.gz QSVROAPUFFUICX-VXGBXAGGSA-N 1 1 319.365 1.278 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812330340 702154983 /nfs/dbraw/zinc/15/49/83/702154983.db2.gz BLGXZXDQXFDRNE-OLZOCXBDSA-N 1 1 319.361 1.384 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC[C@H]21 ZINC000866208677 706649220 /nfs/dbraw/zinc/64/92/20/706649220.db2.gz KJNKXKOGPUMAFU-GXFFZTMASA-N 1 1 304.350 1.224 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000866210128 706649766 /nfs/dbraw/zinc/64/97/66/706649766.db2.gz YFGYRTVUFHDXIL-STQMWFEESA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CN)C1CC1 ZINC000843386340 702871152 /nfs/dbraw/zinc/87/11/52/702871152.db2.gz HFKYPGYFSSCQDQ-AWEZNQCLSA-N 1 1 324.356 1.732 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](CN)C1CC1 ZINC000843386340 702871155 /nfs/dbraw/zinc/87/11/55/702871155.db2.gz HFKYPGYFSSCQDQ-AWEZNQCLSA-N 1 1 324.356 1.732 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846047713 703230718 /nfs/dbraw/zinc/23/07/18/703230718.db2.gz QEQSDXJFSWPSTJ-WDEREUQCSA-N 1 1 300.742 1.830 20 5 DDBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846047713 703230719 /nfs/dbraw/zinc/23/07/19/703230719.db2.gz QEQSDXJFSWPSTJ-WDEREUQCSA-N 1 1 300.742 1.830 20 5 DDBDMO CC1(C)OC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000851717436 703836218 /nfs/dbraw/zinc/83/62/18/703836218.db2.gz SFQASUDJUYKCRA-CYBMUJFWSA-N 1 1 322.365 1.263 20 5 DDBDMO COCC[N@@H+](CCF)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000852481965 704058606 /nfs/dbraw/zinc/05/86/06/704058606.db2.gz AJOMPCWCWQGXJM-UHFFFAOYSA-N 1 1 313.329 1.841 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852710030 704103780 /nfs/dbraw/zinc/10/37/80/704103780.db2.gz HZLQNZGOBIKNOA-OAHLLOKOSA-N 1 1 323.368 1.765 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000853586440 704276448 /nfs/dbraw/zinc/27/64/48/704276448.db2.gz RMQXRUCMLFGDFL-YPMHNXCESA-N 1 1 302.334 1.870 20 5 DDBDMO O=C1CC[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000821354874 704395806 /nfs/dbraw/zinc/39/58/06/704395806.db2.gz LACXBCMCUHWBCU-CQSZACIVSA-N 1 1 305.334 1.422 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CC1(O)CCC1)C2 ZINC000859208957 704821944 /nfs/dbraw/zinc/82/19/44/704821944.db2.gz VABIJGZKLLMEAX-ZDUSSCGKSA-N 1 1 306.362 1.619 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)CC1(O)CCC1)C2 ZINC000859208957 704821951 /nfs/dbraw/zinc/82/19/51/704821951.db2.gz VABIJGZKLLMEAX-ZDUSSCGKSA-N 1 1 306.362 1.619 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842041 705196975 /nfs/dbraw/zinc/19/69/75/705196975.db2.gz ZNFYMKGSWSYDER-WDEREUQCSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874842041 705196977 /nfs/dbraw/zinc/19/69/77/705196977.db2.gz ZNFYMKGSWSYDER-WDEREUQCSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874842041 705196978 /nfs/dbraw/zinc/19/69/78/705196978.db2.gz ZNFYMKGSWSYDER-WDEREUQCSA-N 1 1 307.354 1.189 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000825682718 705713836 /nfs/dbraw/zinc/71/38/36/705713836.db2.gz BHPMLWLCTXRDFF-CQSZACIVSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777196 705729469 /nfs/dbraw/zinc/72/94/69/705729469.db2.gz RFSZPCQOXBVXDG-BXUZGUMPSA-N 1 1 307.350 1.086 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825830354 705735144 /nfs/dbraw/zinc/73/51/44/705735144.db2.gz KNQHOVDEIUKUMP-LSDHHAIUSA-N 1 1 321.377 1.619 20 5 DDBDMO CCN1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876989400 705950159 /nfs/dbraw/zinc/95/01/59/705950159.db2.gz XZAWGYNAPMGDJC-HSBZDZAISA-N 1 1 307.398 1.816 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000827264788 705963294 /nfs/dbraw/zinc/96/32/94/705963294.db2.gz DOTUQMFNNVMITF-YPMHNXCESA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827374769 705988879 /nfs/dbraw/zinc/98/88/79/705988879.db2.gz PUIPHAFKSICHDQ-STQMWFEESA-N 1 1 319.361 1.526 20 5 DDBDMO COc1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1[N+](=O)[O-] ZINC000877797614 706218712 /nfs/dbraw/zinc/21/87/12/706218712.db2.gz MITGAXMARBMXEV-UHFFFAOYSA-N 1 1 310.350 1.170 20 5 DDBDMO C[N@H+]1CC[C@H]1CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000877875788 706230731 /nfs/dbraw/zinc/23/07/31/706230731.db2.gz RQLYKLFSRBTRLW-SWLSCSKDSA-N 1 1 318.333 1.066 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000829261954 706311013 /nfs/dbraw/zinc/31/10/13/706311013.db2.gz QRXDTIZWXNGNJY-GJZGRUSLSA-N 1 1 324.402 1.836 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000829261954 706311015 /nfs/dbraw/zinc/31/10/15/706311015.db2.gz QRXDTIZWXNGNJY-GJZGRUSLSA-N 1 1 324.402 1.836 20 5 DDBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880434020 706975309 /nfs/dbraw/zinc/97/53/09/706975309.db2.gz VOMMNTDVPXIFIM-RRFJBIMHSA-N 1 1 310.350 1.364 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835158557 707185240 /nfs/dbraw/zinc/18/52/40/707185240.db2.gz HXYIFZXVUJOUEI-CYBMUJFWSA-N 1 1 316.398 1.722 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882480313 707650531 /nfs/dbraw/zinc/65/05/31/707650531.db2.gz PWFVRBAXXPUEMC-SNVBAGLBSA-N 1 1 321.333 1.190 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000883167697 707945553 /nfs/dbraw/zinc/94/55/53/707945553.db2.gz FPMWESZPAHYUEF-CYBMUJFWSA-N 1 1 322.365 1.497 20 5 DDBDMO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839463373 708049333 /nfs/dbraw/zinc/04/93/33/708049333.db2.gz OKRPWTBLJHUPAR-RBSFLKMASA-N 1 1 303.362 1.605 20 5 DDBDMO Cc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000897221120 708258711 /nfs/dbraw/zinc/25/87/11/708258711.db2.gz HLOXKMMTJRIJSF-KGLIPLIRSA-N 1 1 306.366 1.334 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000897683208 708418752 /nfs/dbraw/zinc/41/87/52/708418752.db2.gz ATSMIWYWIBSXOU-IAQYHMDHSA-N 1 1 316.361 1.808 20 5 DDBDMO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000886160427 708707789 /nfs/dbraw/zinc/70/77/89/708707789.db2.gz SVLJNRVOFCZLAZ-LBPRGKRZSA-N 1 1 308.382 1.267 20 5 DDBDMO CC(C)(CCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[N+](=O)[O-] ZINC000928084741 713122347 /nfs/dbraw/zinc/12/23/47/713122347.db2.gz XPRKLSFGLPZEPD-RYUDHWBXSA-N 1 1 315.439 1.518 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910286366 709867100 /nfs/dbraw/zinc/86/71/00/709867100.db2.gz GPTVXIKTWPKVDJ-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910286366 709867104 /nfs/dbraw/zinc/86/71/04/709867104.db2.gz GPTVXIKTWPKVDJ-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000910286366 709867106 /nfs/dbraw/zinc/86/71/06/709867106.db2.gz GPTVXIKTWPKVDJ-SNVBAGLBSA-N 1 1 309.370 1.437 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+](C)CCCO)CC1 ZINC000892560326 710458446 /nfs/dbraw/zinc/45/84/46/710458446.db2.gz GOZDEJAIQXPMQT-UHFFFAOYSA-N 1 1 324.381 1.281 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000928448990 713201557 /nfs/dbraw/zinc/20/15/57/713201557.db2.gz DGOWJJVFLKARCK-SCZZXKLOSA-N 1 1 307.306 1.146 20 5 DDBDMO CC1(C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1[NH+]1CCOCC1 ZINC000911837029 711023749 /nfs/dbraw/zinc/02/37/49/711023749.db2.gz BTWMRJDQWWSYAD-RYUDHWBXSA-N 1 1 323.349 1.417 20 5 DDBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000911837028 711023943 /nfs/dbraw/zinc/02/39/43/711023943.db2.gz BTWMRJDQWWSYAD-NWDGAFQWSA-N 1 1 323.349 1.417 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000894569437 711185638 /nfs/dbraw/zinc/18/56/38/711185638.db2.gz VMEJAVXLURQNLX-LBPRGKRZSA-N 1 1 318.333 1.953 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000894569437 711185643 /nfs/dbraw/zinc/18/56/43/711185643.db2.gz VMEJAVXLURQNLX-LBPRGKRZSA-N 1 1 318.333 1.953 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894973825 711346397 /nfs/dbraw/zinc/34/63/97/711346397.db2.gz BECKRDUSKGUBBT-MNOVXSKESA-N 1 1 310.350 1.759 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000895386248 711500144 /nfs/dbraw/zinc/50/01/44/711500144.db2.gz PIUCGUBEOSRVSC-IAQYHMDHSA-N 1 1 308.334 1.777 20 5 DDBDMO CCN1CCC[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000895899323 711641091 /nfs/dbraw/zinc/64/10/91/711641091.db2.gz LPBBCXJSIXXUGG-OAHLLOKOSA-N 1 1 314.345 1.988 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NCCO[C@@H]3CCOC3)c2c1 ZINC000896472530 711730463 /nfs/dbraw/zinc/73/04/63/711730463.db2.gz BBLBMPBEIFFBCQ-GFCCVEGCSA-N 1 1 303.318 1.782 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CNOC2)ccc1N1CCCCC1 ZINC000904425453 711856399 /nfs/dbraw/zinc/85/63/99/711856399.db2.gz MULPJRQIEVQZFS-ZDUSSCGKSA-N 1 1 306.366 1.578 20 5 DDBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCCN1Cc1ccc(F)cc1F ZINC000905229260 711975001 /nfs/dbraw/zinc/97/50/01/711975001.db2.gz LTXNXPPUBDCHSR-CYBMUJFWSA-N 1 1 313.304 1.322 20 5 DDBDMO CC1(C)CC[N@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905678289 712115305 /nfs/dbraw/zinc/11/53/05/712115305.db2.gz KEAUMOCPRVREJG-HNNXBMFYSA-N 1 1 307.394 1.950 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905678289 712115307 /nfs/dbraw/zinc/11/53/07/712115307.db2.gz KEAUMOCPRVREJG-HNNXBMFYSA-N 1 1 307.394 1.950 20 5 DDBDMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929110713 713548600 /nfs/dbraw/zinc/54/86/00/713548600.db2.gz FUTJHLCMZUGKHH-LSDHHAIUSA-N 1 1 303.362 1.862 20 5 DDBDMO COC(=O)/C=C(\C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989015 713729907 /nfs/dbraw/zinc/72/99/07/713729907.db2.gz POUJFPYDXUQZKY-YTRUQHMWSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C=C(\C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929989015 713729909 /nfs/dbraw/zinc/72/99/09/713729909.db2.gz POUJFPYDXUQZKY-YTRUQHMWSA-N 1 1 320.349 1.595 20 5 DDBDMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])CC1 ZINC000930468079 713842363 /nfs/dbraw/zinc/84/23/63/713842363.db2.gz WJPBJKLOJCWIRO-AWEZNQCLSA-N 1 1 313.398 1.986 20 5 DDBDMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[N+](=O)[O-])CC1 ZINC000930468079 713842365 /nfs/dbraw/zinc/84/23/65/713842365.db2.gz WJPBJKLOJCWIRO-AWEZNQCLSA-N 1 1 313.398 1.986 20 5 DDBDMO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000931024543 713985048 /nfs/dbraw/zinc/98/50/48/713985048.db2.gz KWVDHXBWZHFPFW-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000931024543 713985049 /nfs/dbraw/zinc/98/50/49/713985049.db2.gz KWVDHXBWZHFPFW-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO COc1cc(C[NH2+][C@H](C)C(OC)OC)c([N+](=O)[O-])cc1OC ZINC000922311598 714017838 /nfs/dbraw/zinc/01/78/38/714017838.db2.gz INTJEINOHWPCIN-SECBINFHSA-N 1 1 314.338 1.709 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC000931459974 714102720 /nfs/dbraw/zinc/10/27/20/714102720.db2.gz CPFNJDDRWVUTRU-YGRLFVJLSA-N 1 1 302.334 1.971 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000923312880 714308080 /nfs/dbraw/zinc/30/80/80/714308080.db2.gz MMYONLCYFOYMMV-UONOGXRCSA-N 1 1 303.362 1.832 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000932892607 714431936 /nfs/dbraw/zinc/43/19/36/714431936.db2.gz GLWLVFRKILCELN-VNQPRFMTSA-N 1 1 320.393 1.663 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115522 714745240 /nfs/dbraw/zinc/74/52/40/714745240.db2.gz ATJKKNOKBRBEEN-HIFRSBDPSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934115522 714745241 /nfs/dbraw/zinc/74/52/41/714745241.db2.gz ATJKKNOKBRBEEN-HIFRSBDPSA-N 1 1 319.361 1.593 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000925317519 714807022 /nfs/dbraw/zinc/80/70/22/714807022.db2.gz MCKAOCIKYMURRK-DGCLKSJQSA-N 1 1 306.366 1.829 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000935942630 715139328 /nfs/dbraw/zinc/13/93/28/715139328.db2.gz QRQJRKWUFRBWCW-FUNVUKJBSA-N 1 1 321.381 1.183 20 5 DDBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932529 721853772 /nfs/dbraw/zinc/85/37/72/721853772.db2.gz YQVAGGKZVBCUMK-STQMWFEESA-N 1 1 305.382 1.204 20 5 DDBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cccc([N+](=O)[O-])n1 ZINC001164932529 721853773 /nfs/dbraw/zinc/85/37/73/721853773.db2.gz YQVAGGKZVBCUMK-STQMWFEESA-N 1 1 305.382 1.204 20 5 DDBDMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)c1ccc([N+](=O)[O-])cn1 ZINC001100386632 732305336 /nfs/dbraw/zinc/30/53/36/732305336.db2.gz METMRJMYLMZWLD-UHFFFAOYSA-N 1 1 321.381 1.027 20 5 DDBDMO C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)[C@@H]1C[N@@H+](C)CCN1C ZINC001120960719 782258382 /nfs/dbraw/zinc/25/83/82/782258382.db2.gz WTKRFGWXGPFIAZ-ABAIWWIYSA-N 1 1 319.409 1.609 20 5 DDBDMO O=C(N[C@@H]1[C@H]2CN(CC=C(Cl)Cl)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776605 736853099 /nfs/dbraw/zinc/85/30/99/736853099.db2.gz CIPRRKUVTHPSOF-DZEUPHNYSA-N 1 1 320.176 1.017 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001196790816 746963503 /nfs/dbraw/zinc/96/35/03/746963503.db2.gz YTYUUFXSIZCLGM-OCCSQVGLSA-N 1 1 305.378 1.987 20 5 DDBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCOCCO ZINC001198943013 747656368 /nfs/dbraw/zinc/65/63/68/747656368.db2.gz OLKHJKWTRPBTIL-UHFFFAOYSA-N 1 1 319.155 1.456 20 5 DDBDMO COc1cc(NCC2(N(C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001156181856 761935580 /nfs/dbraw/zinc/93/55/80/761935580.db2.gz GRGABIOKVIQNNG-UHFFFAOYSA-N 1 1 323.397 1.436 20 5 DDBDMO Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034642888 750624632 /nfs/dbraw/zinc/62/46/32/750624632.db2.gz HFZBRGXVBHZXLL-AAVRWANBSA-N 1 1 322.365 1.165 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cnn(C)c21 ZINC001169018949 762199130 /nfs/dbraw/zinc/19/91/30/762199130.db2.gz FROZHUPOLHAYDY-QEJZJMRPSA-N 1 1 322.409 1.801 20 5 DDBDMO CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169025767 762203466 /nfs/dbraw/zinc/20/34/66/762203466.db2.gz UVKOYHBALNIAKV-QWHCGFSZSA-N 1 1 308.382 1.681 20 5 DDBDMO CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169025767 762203472 /nfs/dbraw/zinc/20/34/72/762203472.db2.gz UVKOYHBALNIAKV-QWHCGFSZSA-N 1 1 308.382 1.681 20 5 DDBDMO COc1ccc(C[C@@H](C)n2[nH]c(=O)nc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170305833 766231435 /nfs/dbraw/zinc/23/14/35/766231435.db2.gz QLNYXLUWMOQXIS-MRVPVSSYSA-N 1 1 307.310 1.163 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170344926 766277333 /nfs/dbraw/zinc/27/73/33/766277333.db2.gz FRPPPTBOEXJNFB-LLVKDONJSA-N 1 1 309.366 1.554 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170344926 766277337 /nfs/dbraw/zinc/27/73/37/766277337.db2.gz FRPPPTBOEXJNFB-LLVKDONJSA-N 1 1 309.366 1.554 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC001094221921 775543824 /nfs/dbraw/zinc/54/38/24/775543824.db2.gz VCGFOWTYGSVCOO-UHFFFAOYSA-N 1 1 324.356 1.746 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101756546 777478475 /nfs/dbraw/zinc/47/84/75/777478475.db2.gz DBJUSJADNWMNRF-UHFFFAOYSA-N 1 1 308.382 1.807 20 5 DDBDMO CC(=O)N(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001102409564 778120346 /nfs/dbraw/zinc/12/03/46/778120346.db2.gz IEGXQDLNRKQCID-UHFFFAOYSA-N 1 1 320.393 1.504 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@]2(C)C1 ZINC001120065728 781744631 /nfs/dbraw/zinc/74/46/31/781744631.db2.gz JQIMOFFLYBMDEG-BZNIZROVSA-N 1 1 302.378 1.951 20 5 DDBDMO O=C(NC1(C[NH2+]Cc2ccns2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267838028 839059665 /nfs/dbraw/zinc/05/96/65/839059665.db2.gz QVSVUEVZIJJWOA-VXGBXAGGSA-N 1 1 324.406 1.327 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)C=C1CCC1 ZINC001268527387 840388961 /nfs/dbraw/zinc/38/89/61/840388961.db2.gz GDHHUILLPXKEKD-NSCUHMNNSA-N 1 1 319.365 1.201 20 5 DDBDMO C[NH+](C)Cc1nnc(-c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC001327305720 862046681 /nfs/dbraw/zinc/04/66/81/862046681.db2.gz QMIMAEYWFBMOBG-UHFFFAOYSA-N 1 1 314.305 1.892 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001224779575 881531883 /nfs/dbraw/zinc/53/18/83/881531883.db2.gz WERGCTAXRLEFCE-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001277013062 881658235 /nfs/dbraw/zinc/65/82/35/881658235.db2.gz AVNBOXVVOVEORS-VZUCSPMQSA-N 1 1 321.381 1.423 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC001152578245 863442670 /nfs/dbraw/zinc/44/26/70/863442670.db2.gz TZFHNVJSCIACQO-UHFFFAOYSA-N 1 1 306.366 1.634 20 5 DDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157260244 863688100 /nfs/dbraw/zinc/68/81/00/863688100.db2.gz INIQPVVXJDNMCV-ZJUUUORDSA-N 1 1 311.773 1.877 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001157271045 863700931 /nfs/dbraw/zinc/70/09/31/863700931.db2.gz HGXSPGPUIWXBTK-KOLCDFICSA-N 1 1 312.757 1.412 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)nc21 ZINC001157585494 863955695 /nfs/dbraw/zinc/95/56/95/863955695.db2.gz LOWQEQVHPBAFTQ-SNVBAGLBSA-N 1 1 317.349 1.746 20 5 DDBDMO O=[N+]([O-])c1c[nH]c2ccc(N[C@@H]3CCC[N@H+](C4COC4)C3)nc21 ZINC001157585494 863955703 /nfs/dbraw/zinc/95/57/03/863955703.db2.gz LOWQEQVHPBAFTQ-SNVBAGLBSA-N 1 1 317.349 1.746 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC001153776751 864091860 /nfs/dbraw/zinc/09/18/60/864091860.db2.gz FYPRDQKXLMTDLM-QWHCGFSZSA-N 1 1 319.361 1.184 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC001153801749 864115117 /nfs/dbraw/zinc/11/51/17/864115117.db2.gz BPWGHKOKJYZAMH-GFCCVEGCSA-N 1 1 323.397 1.515 20 5 DDBDMO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001157767056 864117828 /nfs/dbraw/zinc/11/78/28/864117828.db2.gz FVHFNANIPQURMU-ZIAGYGMSSA-N 1 1 321.377 1.265 20 5 DDBDMO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001157767147 864118712 /nfs/dbraw/zinc/11/87/12/864118712.db2.gz IDAVNEKYXMKFMF-ZIAGYGMSSA-N 1 1 321.377 1.265 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC001333288960 866596299 /nfs/dbraw/zinc/59/62/99/866596299.db2.gz JPHLFNGQKXMZQU-LLVKDONJSA-N 1 1 309.370 1.090 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2C3CCC2(CO)CC3)c2c(c1)COCO2 ZINC001333319080 866630905 /nfs/dbraw/zinc/63/09/05/866630905.db2.gz OTKJOWKZSDPYIE-UHFFFAOYSA-N 1 1 320.345 1.951 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C3CCC2(CO)CC3)c2c(c1)COCO2 ZINC001333319080 866630909 /nfs/dbraw/zinc/63/09/09/866630909.db2.gz OTKJOWKZSDPYIE-UHFFFAOYSA-N 1 1 320.345 1.951 20 5 DDBDMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333721526 866964074 /nfs/dbraw/zinc/96/40/74/866964074.db2.gz IKMANHXZMYLWKT-IAQYHMDHSA-N 1 1 317.349 1.574 20 5 DDBDMO COc1ncnc(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163361647 868395259 /nfs/dbraw/zinc/39/52/59/868395259.db2.gz JYHWABWIEFKTKG-GHMZBOCLSA-N 1 1 309.370 1.924 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001336523189 868991762 /nfs/dbraw/zinc/99/17/62/868991762.db2.gz ZCZYNZZXEVCGGS-GFCCVEGCSA-N 1 1 315.333 1.115 20 5 DDBDMO CC(C)(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494452 869232026 /nfs/dbraw/zinc/23/20/26/869232026.db2.gz KKQJKYSRGQNZQT-CHWSQXEVSA-N 1 1 311.426 1.964 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C(C)C)[C@H](C)C2)n1 ZINC001165199439 869422561 /nfs/dbraw/zinc/42/25/61/869422561.db2.gz VLYNTGDRRGBMHN-SNVBAGLBSA-N 1 1 309.370 1.621 20 5 DDBDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC001318910735 872341328 /nfs/dbraw/zinc/34/13/28/872341328.db2.gz PGJCBERXCQFKIC-CYBMUJFWSA-N 1 1 310.354 1.599 20 5 DDBDMO C[NH+]1CCN(CCCO[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001206591220 872459693 /nfs/dbraw/zinc/45/96/93/872459693.db2.gz RCUIEJWSOZTIAU-HNNXBMFYSA-N 1 1 308.382 1.054 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001348969841 874901845 /nfs/dbraw/zinc/90/18/45/874901845.db2.gz JICKUAJEBJEVGG-IAQYHMDHSA-N 1 1 318.377 1.803 20 5 DDBDMO COc1cc2nc(=O)[nH]c(O[C@H](C)C[N+](C)(C)C)c2cc1OC ZINC001227283394 882953628 /nfs/dbraw/zinc/95/36/28/882953628.db2.gz VHCFLZWRGOKRFY-SNVBAGLBSA-O 1 1 322.385 1.826 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001350754893 875872244 /nfs/dbraw/zinc/87/22/44/875872244.db2.gz XTVIXRFTWNABFF-LLVKDONJSA-N 1 1 321.337 1.112 20 5 DDBDMO CC(C)(C(=O)NC[C@@]12CC[N@@H+](C1)CCC2)n1cc([N+](=O)[O-])cn1 ZINC001352412599 876734310 /nfs/dbraw/zinc/73/43/10/876734310.db2.gz LBALBFXSMDPDLH-OAHLLOKOSA-N 1 1 321.381 1.129 20 5 DDBDMO N[C@@H]1C[NH2+][C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218980181 877851138 /nfs/dbraw/zinc/85/11/38/877851138.db2.gz VQGCPAUGKASTMW-FZMZJTMJSA-N 1 1 307.357 1.411 20 5 DDBDMO CC(C)[NH+]1CC(Oc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242049 883403976 /nfs/dbraw/zinc/40/39/76/883403976.db2.gz JRUHHLQWLDQNHA-UHFFFAOYSA-N 1 1 304.306 1.715 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)cc1O ZINC001228810887 883681518 /nfs/dbraw/zinc/68/15/18/883681518.db2.gz LDEHIJHPAQYESL-CQSZACIVSA-N 1 1 322.317 1.560 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365922 883946511 /nfs/dbraw/zinc/94/65/11/883946511.db2.gz YMVNPXQZWFWCEK-SNVBAGLBSA-N 1 1 304.306 1.717 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001252361529 895105226 /nfs/dbraw/zinc/10/52/26/895105226.db2.gz KFZWYDSJHSPOCF-UHFFFAOYSA-N 1 1 315.333 1.825 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](F)[C@H](O)C3)CC2)cc1 ZINC001254476032 896455686 /nfs/dbraw/zinc/45/56/86/896455686.db2.gz JRDYLFDMQZAHSL-JKSUJKDBSA-N 1 1 323.368 1.968 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)[C@@H](F)C3)CC2)cc1 ZINC001254474921 896456310 /nfs/dbraw/zinc/45/63/10/896456310.db2.gz WNBLXZYSFVKJAQ-JKSUJKDBSA-N 1 1 323.368 1.968 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C)CC1 ZINC001254532674 896489116 /nfs/dbraw/zinc/48/91/16/896489116.db2.gz PYFOIEFYMXLTMU-AWEZNQCLSA-N 1 1 306.410 1.363 20 5 DDBDMO C[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001254545136 896496360 /nfs/dbraw/zinc/49/63/60/896496360.db2.gz JEBJSZLTNZEBCX-BBRMVZONSA-N 1 1 324.377 1.429 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001254553472 896498593 /nfs/dbraw/zinc/49/85/93/896498593.db2.gz VQMKCQCKIIQZBL-BQGCOEIASA-N 1 1 320.389 1.998 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001254553472 896498603 /nfs/dbraw/zinc/49/86/03/896498603.db2.gz VQMKCQCKIIQZBL-BQGCOEIASA-N 1 1 320.389 1.998 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC001254596771 896522969 /nfs/dbraw/zinc/52/29/69/896522969.db2.gz GAYUFNYIZDIGGT-SJORKVTESA-N 1 1 317.389 1.469 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN([C@@H]3CCOC3)CC1)C2 ZINC001254596771 896522978 /nfs/dbraw/zinc/52/29/78/896522978.db2.gz GAYUFNYIZDIGGT-SJORKVTESA-N 1 1 317.389 1.469 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001262725519 900337237 /nfs/dbraw/zinc/33/72/37/900337237.db2.gz YWPUOKDYXNPLGK-WDBKCZKBSA-N 1 1 318.377 1.707 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000248664419 282097540 /nfs/dbraw/zinc/09/75/40/282097540.db2.gz KYURIMWZMSHPGJ-MNOVXSKESA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248994357 282125308 /nfs/dbraw/zinc/12/53/08/282125308.db2.gz XTJXPORVIIWHPV-KYOSRNDESA-N 1 1 310.350 1.037 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278585910 214256563 /nfs/dbraw/zinc/25/65/63/214256563.db2.gz DBFURKAYUFEOTJ-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278585910 214256565 /nfs/dbraw/zinc/25/65/65/214256565.db2.gz DBFURKAYUFEOTJ-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000614895493 362066618 /nfs/dbraw/zinc/06/66/18/362066618.db2.gz VHTRKJAJOPONGN-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000614895493 362066624 /nfs/dbraw/zinc/06/66/24/362066624.db2.gz VHTRKJAJOPONGN-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552016 185302638 /nfs/dbraw/zinc/30/26/38/185302638.db2.gz HNKXJZGFTYHNJB-KGLIPLIRSA-N 1 1 320.393 1.315 20 5 DDBDMO Cc1nn(C)c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000301324763 282272311 /nfs/dbraw/zinc/27/23/11/282272311.db2.gz ACWCFPCQNVDJRL-YNEHKIRRSA-N 1 1 305.382 1.557 20 5 DDBDMO CC1(C)COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181576038 199321326 /nfs/dbraw/zinc/32/13/26/199321326.db2.gz WXVBHIBUESYASM-GFCCVEGCSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181576038 199321327 /nfs/dbraw/zinc/32/13/27/199321327.db2.gz WXVBHIBUESYASM-GFCCVEGCSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161386368 290784151 /nfs/dbraw/zinc/78/41/51/290784151.db2.gz ZWUPXOAPACAQTL-LLVKDONJSA-N 1 1 322.287 1.427 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000272670740 210076695 /nfs/dbraw/zinc/07/66/95/210076695.db2.gz KNLJKQDYOPFQJW-MWLCHTKSSA-N 1 1 305.334 1.655 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000272670740 210076692 /nfs/dbraw/zinc/07/66/92/210076692.db2.gz KNLJKQDYOPFQJW-MWLCHTKSSA-N 1 1 305.334 1.655 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358466566 299162511 /nfs/dbraw/zinc/16/25/11/299162511.db2.gz XROBKILXXXNTNF-HNNXBMFYSA-N 1 1 322.365 1.400 20 5 DDBDMO C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280008697 215307182 /nfs/dbraw/zinc/30/71/82/215307182.db2.gz JROQQGVIUDUXHW-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280008697 215307184 /nfs/dbraw/zinc/30/71/84/215307184.db2.gz JROQQGVIUDUXHW-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000152537146 186083423 /nfs/dbraw/zinc/08/34/23/186083423.db2.gz DSVZRLHBDONWON-RMKNXTFCSA-N 1 1 321.377 1.693 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000042286702 352333223 /nfs/dbraw/zinc/33/32/23/352333223.db2.gz WXFJIQWSDCGWCJ-RYUDHWBXSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000042286702 352333224 /nfs/dbraw/zinc/33/32/24/352333224.db2.gz WXFJIQWSDCGWCJ-RYUDHWBXSA-N 1 1 307.350 1.687 20 5 DDBDMO CNc1ccc(C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000052193059 352604727 /nfs/dbraw/zinc/60/47/27/352604727.db2.gz ZJUATMRCXVGVPI-UHFFFAOYSA-N 1 1 303.322 1.571 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173213437 198196522 /nfs/dbraw/zinc/19/65/22/198196522.db2.gz RHBTUNGJJKYYNF-WFASDCNBSA-N 1 1 305.378 1.936 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3CO)n2)c1 ZINC000063512442 352914981 /nfs/dbraw/zinc/91/49/81/352914981.db2.gz MJQQJTUNWYWOEC-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3CO)n2)c1 ZINC000063512442 352914985 /nfs/dbraw/zinc/91/49/85/352914985.db2.gz MJQQJTUNWYWOEC-GFCCVEGCSA-N 1 1 304.306 1.602 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063782732 352924650 /nfs/dbraw/zinc/92/46/50/352924650.db2.gz UJVHJAQYLHQRJF-UHFFFAOYSA-N 1 1 312.345 1.776 20 5 DDBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000067413200 353047553 /nfs/dbraw/zinc/04/75/53/353047553.db2.gz GDYCPJAYVACURP-AWEZNQCLSA-N 1 1 321.377 1.822 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069485734 353162913 /nfs/dbraw/zinc/16/29/13/353162913.db2.gz DCMQZXFWQYRQAG-GFCCVEGCSA-N 1 1 323.393 1.992 20 5 DDBDMO CN(C)C(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174833654 198391263 /nfs/dbraw/zinc/39/12/63/198391263.db2.gz IWIMNWWRMSODNO-CQSZACIVSA-N 1 1 317.349 1.210 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083245272 353708753 /nfs/dbraw/zinc/70/87/53/353708753.db2.gz ZKFPPDTWCDGLCT-KBPBESRZSA-N 1 1 323.393 1.281 20 5 DDBDMO Cc1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000092186524 353845983 /nfs/dbraw/zinc/84/59/83/353845983.db2.gz VMBXIZPQXBSGDA-UHFFFAOYSA-N 1 1 323.393 1.030 20 5 DDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000157515270 354225104 /nfs/dbraw/zinc/22/51/04/354225104.db2.gz GGKZTTCZVMWCFS-NOZJJQNGSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000157515270 354225105 /nfs/dbraw/zinc/22/51/05/354225105.db2.gz GGKZTTCZVMWCFS-NOZJJQNGSA-N 1 1 311.313 1.183 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000157920905 354227575 /nfs/dbraw/zinc/22/75/75/354227575.db2.gz PZQGPLAJVNMBNZ-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000157920905 354227577 /nfs/dbraw/zinc/22/75/77/354227577.db2.gz PZQGPLAJVNMBNZ-IINYFYTJSA-N 1 1 323.349 1.052 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000322570961 354537392 /nfs/dbraw/zinc/53/73/92/354537392.db2.gz FUMKGRKYHOUMSJ-QWHCGFSZSA-N 1 1 318.377 1.993 20 5 DDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000588002843 354892276 /nfs/dbraw/zinc/89/22/76/354892276.db2.gz VKCVGKITFHZQIL-WPRPVWTQSA-N 1 1 323.378 1.731 20 5 DDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000588002843 354892280 /nfs/dbraw/zinc/89/22/80/354892280.db2.gz VKCVGKITFHZQIL-WPRPVWTQSA-N 1 1 323.378 1.731 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000589879249 355028758 /nfs/dbraw/zinc/02/87/58/355028758.db2.gz WLZNZBRYIADHQN-OAHLLOKOSA-N 1 1 306.366 1.201 20 5 DDBDMO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000590566928 355115162 /nfs/dbraw/zinc/11/51/62/355115162.db2.gz SVJYMRHYZUMJDY-NOZJJQNGSA-N 1 1 317.349 1.636 20 5 DDBDMO CCOc1cc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972774 213211234 /nfs/dbraw/zinc/21/12/34/213211234.db2.gz XFELUBQVIIKZMC-VXGBXAGGSA-N 1 1 312.366 1.557 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000590660003 355140139 /nfs/dbraw/zinc/14/01/39/355140139.db2.gz YQQCVPQNYLDXDG-SWLSCSKDSA-N 1 1 319.361 1.517 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000590910316 355211129 /nfs/dbraw/zinc/21/11/29/355211129.db2.gz IRSBBTIXWUIQNJ-UHFFFAOYSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@H]([NH3+])C1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592423665 355578777 /nfs/dbraw/zinc/57/87/77/355578777.db2.gz CVRXMBRFVQTQSM-NSHDSACASA-N 1 1 321.377 1.925 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](CC)CO1 ZINC000593058261 355782500 /nfs/dbraw/zinc/78/25/00/355782500.db2.gz KBGSRWKILUBZRK-TZMCWYRMSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](CC)CO1 ZINC000593058261 355782503 /nfs/dbraw/zinc/78/25/03/355782503.db2.gz KBGSRWKILUBZRK-TZMCWYRMSA-N 1 1 309.366 1.646 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000593485965 355900140 /nfs/dbraw/zinc/90/01/40/355900140.db2.gz DRZSJBMUUCYXHG-GXFFZTMASA-N 1 1 309.341 1.875 20 5 DDBDMO CC1(C)[C@H]([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000594003567 356084231 /nfs/dbraw/zinc/08/42/31/356084231.db2.gz APOPJUAZDSBZJQ-NEPJUHHUSA-N 1 1 318.333 1.894 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000594195392 356135774 /nfs/dbraw/zinc/13/57/74/356135774.db2.gz GKRZYTBDVXILAL-GXTWGEPZSA-N 1 1 304.350 1.737 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1COCCO1 ZINC000595744993 356632098 /nfs/dbraw/zinc/63/20/98/356632098.db2.gz XQNZRENLMQTPJL-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000595744993 356632100 /nfs/dbraw/zinc/63/21/00/356632100.db2.gz XQNZRENLMQTPJL-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000595754983 356637551 /nfs/dbraw/zinc/63/75/51/356637551.db2.gz DOMQTFNESKNIKO-BJJXKVORSA-N 1 1 322.361 1.303 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595829061 356667003 /nfs/dbraw/zinc/66/70/03/356667003.db2.gz GZIPKAKGGPCPEG-OLZOCXBDSA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595829061 356667005 /nfs/dbraw/zinc/66/70/05/356667005.db2.gz GZIPKAKGGPCPEG-OLZOCXBDSA-N 1 1 319.361 1.810 20 5 DDBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596173926 356801642 /nfs/dbraw/zinc/80/16/42/356801642.db2.gz CBCLDTXAPKKFDQ-SNVBAGLBSA-N 1 1 315.333 1.421 20 5 DDBDMO CCC[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000596177476 356802978 /nfs/dbraw/zinc/80/29/78/356802978.db2.gz LWRWWDDXJOWOTF-LBPRGKRZSA-N 1 1 323.397 1.509 20 5 DDBDMO C[N@H+]1CCN(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000596221892 356821160 /nfs/dbraw/zinc/82/11/60/356821160.db2.gz GGZZDXJLLDVRST-UHFFFAOYSA-N 1 1 309.370 1.133 20 5 DDBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000358788525 299255295 /nfs/dbraw/zinc/25/52/95/299255295.db2.gz FSTWMGBATNBYBF-JTQLQIEISA-N 1 1 318.337 1.403 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598512440 357611952 /nfs/dbraw/zinc/61/19/52/357611952.db2.gz SQXHOCALEUJVLA-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000598512440 357611959 /nfs/dbraw/zinc/61/19/59/357611959.db2.gz SQXHOCALEUJVLA-GFCCVEGCSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598559946 357632038 /nfs/dbraw/zinc/63/20/38/357632038.db2.gz JLXRHSBADRQABS-GFCCVEGCSA-N 1 1 306.366 1.775 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000598560043 357632150 /nfs/dbraw/zinc/63/21/50/357632150.db2.gz JYWDGXRPYVQGBJ-CYBMUJFWSA-N 1 1 318.377 1.842 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598574512 357637982 /nfs/dbraw/zinc/63/79/82/357637982.db2.gz RHDNQAHQALDEGK-NSHDSACASA-N 1 1 309.370 1.340 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599780221 358056855 /nfs/dbraw/zinc/05/68/55/358056855.db2.gz UEDOPZDXTLIDAL-LBPRGKRZSA-N 1 1 322.365 1.400 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000180104357 199117792 /nfs/dbraw/zinc/11/77/92/199117792.db2.gz IVOMJZFPMLYDTF-NWDGAFQWSA-N 1 1 305.334 1.609 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000348082278 283358939 /nfs/dbraw/zinc/35/89/39/283358939.db2.gz YGGDOVFQSOPOPK-UHFFFAOYSA-N 1 1 323.397 1.503 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600809577 358320921 /nfs/dbraw/zinc/32/09/21/358320921.db2.gz VIEDSHLOXWFURH-LBPRGKRZSA-N 1 1 319.317 1.137 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000180854361 199219044 /nfs/dbraw/zinc/21/90/44/199219044.db2.gz XSNCBTBHPRGMNV-ZJUUUORDSA-N 1 1 304.350 1.532 20 5 DDBDMO CCN1CC[NH+](CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104362 358403550 /nfs/dbraw/zinc/40/35/50/358403550.db2.gz UHFDKTITOMXFSR-UHFFFAOYSA-N 1 1 311.361 1.568 20 5 DDBDMO CC[C@H]1C(=O)NCCN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601125040 358412265 /nfs/dbraw/zinc/41/22/65/358412265.db2.gz LYRDXDFJVRNLSU-ZDUSSCGKSA-N 1 1 300.318 1.858 20 5 DDBDMO CNC(=O)[C@@H](C)CN(C)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601124856 358412778 /nfs/dbraw/zinc/41/27/78/358412778.db2.gz VFLTZTQVIUMGAE-JTQLQIEISA-N 1 1 302.334 1.961 20 5 DDBDMO CCn1nccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149879 358422540 /nfs/dbraw/zinc/42/25/40/358422540.db2.gz RFXPYWKBAIITNJ-OAHLLOKOSA-N 1 1 304.350 1.809 20 5 DDBDMO Cn1nnc2c1CC[C@H](Nc1cc[nH+]c3ccc([N+](=O)[O-])cc13)C2 ZINC000601186829 358439366 /nfs/dbraw/zinc/43/93/66/358439366.db2.gz CBCVQADFACTVAP-JTQLQIEISA-N 1 1 324.344 1.663 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601976240 358762712 /nfs/dbraw/zinc/76/27/12/358762712.db2.gz OVXQFGDAQMUICC-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276510831 212927781 /nfs/dbraw/zinc/92/77/81/212927781.db2.gz DTXNBLDIJCIQQA-LLVKDONJSA-N 1 1 308.338 1.673 20 5 DDBDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602452658 358985718 /nfs/dbraw/zinc/98/57/18/358985718.db2.gz FKRLAIYQXOBXKT-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602452658 358985720 /nfs/dbraw/zinc/98/57/20/358985720.db2.gz FKRLAIYQXOBXKT-LBPRGKRZSA-N 1 1 323.397 1.457 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602665048 359111748 /nfs/dbraw/zinc/11/17/48/359111748.db2.gz XVQUXWGLSJAHBF-NSHDSACASA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602665048 359111753 /nfs/dbraw/zinc/11/17/53/359111753.db2.gz XVQUXWGLSJAHBF-NSHDSACASA-N 1 1 324.381 1.882 20 5 DDBDMO CO[C@@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCOC1 ZINC000602689100 359127327 /nfs/dbraw/zinc/12/73/27/359127327.db2.gz QSPULLAVXWQNIN-WBMJQRKESA-N 1 1 322.361 1.709 20 5 DDBDMO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602792800 359195118 /nfs/dbraw/zinc/19/51/18/359195118.db2.gz COOYBKKAGPOJKV-RWMBFGLXSA-N 1 1 306.366 1.901 20 5 DDBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000602837064 359227743 /nfs/dbraw/zinc/22/77/43/359227743.db2.gz SSLCJSSRUCPKKP-MGPQQGTHSA-N 1 1 308.382 1.844 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000602822145 359216494 /nfs/dbraw/zinc/21/64/94/359216494.db2.gz SBXDMTKMXLQUNQ-OAHLLOKOSA-N 1 1 324.381 1.370 20 5 DDBDMO Cn1cc(CN[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822938 359217502 /nfs/dbraw/zinc/21/75/02/359217502.db2.gz HJXFEDOHUVNYHR-GJZGRUSLSA-N 1 1 315.377 1.863 20 5 DDBDMO Cn1cc(CN[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602822938 359217504 /nfs/dbraw/zinc/21/75/04/359217504.db2.gz HJXFEDOHUVNYHR-GJZGRUSLSA-N 1 1 315.377 1.863 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000602831143 359223363 /nfs/dbraw/zinc/22/33/63/359223363.db2.gz ZCKKLFJEWGBIME-WFASDCNBSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000602831143 359223368 /nfs/dbraw/zinc/22/33/68/359223368.db2.gz ZCKKLFJEWGBIME-WFASDCNBSA-N 1 1 324.381 1.370 20 5 DDBDMO CCCN(C(=O)Nc1c(C)cncc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000602961593 359325612 /nfs/dbraw/zinc/32/56/12/359325612.db2.gz WJTKGAHDVBRHJL-LBPRGKRZSA-N 1 1 321.381 1.668 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964606 359327448 /nfs/dbraw/zinc/32/74/48/359327448.db2.gz RWDUEEYRCIIWSC-SWLSCSKDSA-N 1 1 310.350 1.575 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000187688124 200145070 /nfs/dbraw/zinc/14/50/70/200145070.db2.gz LFKFMYYOLJLXNB-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000604485749 359756458 /nfs/dbraw/zinc/75/64/58/359756458.db2.gz WMMUBKBQKYMSTM-ZDUSSCGKSA-N 1 1 316.361 1.760 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604198285 359724827 /nfs/dbraw/zinc/72/48/27/359724827.db2.gz FLIZECBHDHLYLN-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000609631761 360339203 /nfs/dbraw/zinc/33/92/03/360339203.db2.gz VPCPNGQEWWRJNU-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609584783 360329206 /nfs/dbraw/zinc/32/92/06/360329206.db2.gz ITLHELYXWFRKQB-LBPRGKRZSA-N 1 1 321.377 1.699 20 5 DDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208766 360390653 /nfs/dbraw/zinc/39/06/53/360390653.db2.gz KRPRCMCVDQXJMO-AAEUAGOBSA-N 1 1 321.377 1.745 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000610447494 360438432 /nfs/dbraw/zinc/43/84/32/360438432.db2.gz ODZGYKRHHIDUPP-UHFFFAOYSA-N 1 1 320.349 1.941 20 5 DDBDMO Cc1nccc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000610485030 360447688 /nfs/dbraw/zinc/44/76/88/360447688.db2.gz ZTJODGNTFQBSTG-ZDUSSCGKSA-N 1 1 316.365 1.769 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610808456 360541926 /nfs/dbraw/zinc/54/19/26/360541926.db2.gz SOCHJZGXYXZZBC-NSHDSACASA-N 1 1 324.406 1.399 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087605 360618438 /nfs/dbraw/zinc/61/84/38/360618438.db2.gz YAMJNRRRANMUFK-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000611287541 360690424 /nfs/dbraw/zinc/69/04/24/360690424.db2.gz HFCOGYMXJSLJBM-ZWNOBZJWSA-N 1 1 308.334 1.569 20 5 DDBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000611712051 360802396 /nfs/dbraw/zinc/80/23/96/360802396.db2.gz UXOZEQZGEUHUMC-QMTHXVAHSA-N 1 1 317.349 1.669 20 5 DDBDMO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000611712051 360802401 /nfs/dbraw/zinc/80/24/01/360802401.db2.gz UXOZEQZGEUHUMC-QMTHXVAHSA-N 1 1 317.349 1.669 20 5 DDBDMO COc1cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000193651805 201096452 /nfs/dbraw/zinc/09/64/52/201096452.db2.gz XMFHCHKRELALFN-ISVAXAHUSA-N 1 1 311.313 1.357 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000194761634 201283844 /nfs/dbraw/zinc/28/38/44/201283844.db2.gz RBOHAOCLEWAHQY-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000194761634 201283847 /nfs/dbraw/zinc/28/38/47/201283847.db2.gz RBOHAOCLEWAHQY-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251944 363945359 /nfs/dbraw/zinc/94/53/59/363945359.db2.gz CBQXYTQMULKXNZ-ZIAGYGMSSA-N 1 1 307.325 1.853 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359276123 299391233 /nfs/dbraw/zinc/39/12/33/299391233.db2.gz CJSTXIZJDLWXAY-STQMWFEESA-N 1 1 318.377 1.383 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)n1C ZINC000359321075 299411952 /nfs/dbraw/zinc/41/19/52/299411952.db2.gz VEWOQSJADBJXKT-UHFFFAOYSA-N 1 1 317.349 1.253 20 5 DDBDMO C[C@@H](CC[NH+](C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264953496 204299143 /nfs/dbraw/zinc/29/91/43/204299143.db2.gz YJZHXZJBWHCDLV-VIFPVBQESA-N 1 1 305.338 1.541 20 5 DDBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCF ZINC000282748583 217223687 /nfs/dbraw/zinc/22/36/87/217223687.db2.gz SFSWCXSIPQCDFM-QMMMGPOBSA-N 1 1 303.721 1.812 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091897333 248241405 /nfs/dbraw/zinc/24/14/05/248241405.db2.gz PGTMTKHEDNTZBJ-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091897333 248241409 /nfs/dbraw/zinc/24/14/09/248241409.db2.gz PGTMTKHEDNTZBJ-UHFFFAOYSA-N 1 1 317.320 1.954 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000046034661 248197952 /nfs/dbraw/zinc/19/79/52/248197952.db2.gz OAMGCNZRIAZICU-UHFFFAOYSA-N 1 1 313.379 1.359 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284504883 218055590 /nfs/dbraw/zinc/05/55/90/218055590.db2.gz XXKNHUTVJNGTLR-HZPDHXFCSA-N 1 1 305.378 1.808 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338768807 250128965 /nfs/dbraw/zinc/12/89/65/250128965.db2.gz XFPPAIRKPXUSDH-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000106393825 194205937 /nfs/dbraw/zinc/20/59/37/194205937.db2.gz CFDKGQSRSXCDMX-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000285212537 218335258 /nfs/dbraw/zinc/33/52/58/218335258.db2.gz DRVAPGNZRLONCZ-LBPRGKRZSA-N 1 1 312.391 1.504 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000285212537 218335260 /nfs/dbraw/zinc/33/52/60/218335260.db2.gz DRVAPGNZRLONCZ-LBPRGKRZSA-N 1 1 312.391 1.504 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2=CCCOC2)CC1 ZINC000295868914 285165496 /nfs/dbraw/zinc/16/54/96/285165496.db2.gz AHBSLKMIKAHUCC-UHFFFAOYSA-N 1 1 304.350 1.459 20 5 DDBDMO COc1ccc(C[N@H+](C)CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000157412352 197185506 /nfs/dbraw/zinc/18/55/06/197185506.db2.gz SMNDWQXYGYLZIF-UHFFFAOYSA-N 1 1 309.366 1.807 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000157412352 197185509 /nfs/dbraw/zinc/18/55/09/197185509.db2.gz SMNDWQXYGYLZIF-UHFFFAOYSA-N 1 1 309.366 1.807 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444348970 533399766 /nfs/dbraw/zinc/39/97/66/533399766.db2.gz CPIADANUQANLFB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000444348970 533399771 /nfs/dbraw/zinc/39/97/71/533399771.db2.gz CPIADANUQANLFB-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC000193248257 292086539 /nfs/dbraw/zinc/08/65/39/292086539.db2.gz XCTHZPAETDCFRZ-LLVKDONJSA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000286103538 292295904 /nfs/dbraw/zinc/29/59/04/292295904.db2.gz IMKWPJREWIEHLL-NHYWBVRUSA-N 1 1 307.350 1.276 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000114368933 407563907 /nfs/dbraw/zinc/56/39/07/407563907.db2.gz VFUMZELNBUVUIK-ZDUSSCGKSA-N 1 1 321.377 1.744 20 5 DDBDMO Cc1ncsc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719587 406940703 /nfs/dbraw/zinc/94/07/03/406940703.db2.gz HOIOYHJYNOWGGM-NSHDSACASA-N 1 1 311.367 1.049 20 5 DDBDMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440157 407089168 /nfs/dbraw/zinc/08/91/68/407089168.db2.gz QIVXXCWMVNOYLO-MRVPVSSYSA-N 1 1 306.771 1.771 20 5 DDBDMO CC(C)NC(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899608 407208128 /nfs/dbraw/zinc/20/81/28/407208128.db2.gz VCOQKVZTZVQKEN-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000102486964 407323746 /nfs/dbraw/zinc/32/37/46/407323746.db2.gz IDMTWLYJRKIHBE-CYBMUJFWSA-N 1 1 323.397 1.399 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067118875 407267396 /nfs/dbraw/zinc/26/73/96/407267396.db2.gz CMEAPEWZXJZZIR-SECBINFHSA-N 1 1 321.424 1.665 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000125323952 407385516 /nfs/dbraw/zinc/38/55/16/407385516.db2.gz ANQPYLWKAOELEE-LLVKDONJSA-N 1 1 309.370 1.132 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000107887208 407381114 /nfs/dbraw/zinc/38/11/14/407381114.db2.gz QGOROFAZHSPSAT-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO CC[N@@H+]1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000107887208 407381116 /nfs/dbraw/zinc/38/11/16/407381116.db2.gz QGOROFAZHSPSAT-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000107887208 407381118 /nfs/dbraw/zinc/38/11/18/407381118.db2.gz QGOROFAZHSPSAT-SNVBAGLBSA-N 1 1 317.349 1.543 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000111265913 407403960 /nfs/dbraw/zinc/40/39/60/407403960.db2.gz IMYRYRYBWOLBGF-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000127236767 407432035 /nfs/dbraw/zinc/43/20/35/407432035.db2.gz FTKBUCGKSJEOAN-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000127236767 407432037 /nfs/dbraw/zinc/43/20/37/407432037.db2.gz FTKBUCGKSJEOAN-UHFFFAOYSA-N 1 1 313.379 1.229 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270968068 407443846 /nfs/dbraw/zinc/44/38/46/407443846.db2.gz VTOGBQOVBXQCDG-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000265947303 407522442 /nfs/dbraw/zinc/52/24/42/407522442.db2.gz KAYVJKIEIKPNQH-JQWIXIFHSA-N 1 1 323.397 1.439 20 5 DDBDMO COC(=O)C1(O)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000271237102 407591772 /nfs/dbraw/zinc/59/17/72/407591772.db2.gz FHIBRHNNWDVZCU-UHFFFAOYSA-N 1 1 308.334 1.403 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CCO)c1ccccc1 ZINC000266940279 407683412 /nfs/dbraw/zinc/68/34/12/407683412.db2.gz PRMMKQAQSFIAMS-HNNXBMFYSA-N 1 1 304.350 1.847 20 5 DDBDMO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000236623380 407734675 /nfs/dbraw/zinc/73/46/75/407734675.db2.gz FSEFYYMFRVFYBL-GFCCVEGCSA-N 1 1 319.365 1.917 20 5 DDBDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222553 407757806 /nfs/dbraw/zinc/75/78/06/407757806.db2.gz PFXFMMLYMMWZSJ-HNNXBMFYSA-N 1 1 316.361 1.932 20 5 DDBDMO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187418276 407855171 /nfs/dbraw/zinc/85/51/71/407855171.db2.gz NFEFQCMPAUSPEK-FZMZJTMJSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187418276 407855177 /nfs/dbraw/zinc/85/51/77/407855177.db2.gz NFEFQCMPAUSPEK-FZMZJTMJSA-N 1 1 307.350 1.559 20 5 DDBDMO [NH3+]CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237992222 407865979 /nfs/dbraw/zinc/86/59/79/407865979.db2.gz XLBPEJDMJUBVFK-UHFFFAOYSA-N 1 1 314.150 1.139 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134306172 407895590 /nfs/dbraw/zinc/89/55/90/407895590.db2.gz QKULMJMVVSFIEQ-GFCCVEGCSA-N 1 1 307.325 1.948 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000272490068 407944552 /nfs/dbraw/zinc/94/45/52/407944552.db2.gz HCWQBHSFQVGWCV-LBPRGKRZSA-N 1 1 319.361 1.858 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000175068283 408043483 /nfs/dbraw/zinc/04/34/83/408043483.db2.gz JYSINGWBFNHPAC-LLVKDONJSA-N 1 1 307.350 1.691 20 5 DDBDMO Cc1nc(N2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000268533843 408085883 /nfs/dbraw/zinc/08/58/83/408085883.db2.gz XXDHDBJTGRBZAH-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000189899942 408132579 /nfs/dbraw/zinc/13/25/79/408132579.db2.gz WGMFJVXYLFZBGQ-CQSZACIVSA-N 1 1 321.421 1.914 20 5 DDBDMO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190093435 408163307 /nfs/dbraw/zinc/16/33/07/408163307.db2.gz CZQCZPOLZLBHOQ-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 ZINC000190093435 408163313 /nfs/dbraw/zinc/16/33/13/408163313.db2.gz CZQCZPOLZLBHOQ-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1CO ZINC000190422679 408242473 /nfs/dbraw/zinc/24/24/73/408242473.db2.gz AVQZUULGYJRHQY-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000273644834 408275657 /nfs/dbraw/zinc/27/56/57/408275657.db2.gz SVKXTEZOMOQCCI-AWEZNQCLSA-N 1 1 323.397 1.934 20 5 DDBDMO CC[N@H+]1CCC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000171100292 162206474 /nfs/dbraw/zinc/20/64/74/162206474.db2.gz YDSBMTBOJSVGAL-ZDUSSCGKSA-N 1 1 323.397 1.399 20 5 DDBDMO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247090689 408407453 /nfs/dbraw/zinc/40/74/53/408407453.db2.gz UJCROWLDZBLADJ-YRGRVCCFSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000247285275 408444217 /nfs/dbraw/zinc/44/42/17/408444217.db2.gz GDPPBWZYJCQJLZ-GXTWGEPZSA-N 1 1 320.393 1.805 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@H](O)C[C@H]3CO)co2)cc1 ZINC000248388055 408555350 /nfs/dbraw/zinc/55/53/50/408555350.db2.gz CUGQWYKCQLVBAN-UONOGXRCSA-N 1 1 319.317 1.177 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3CO)co2)cc1 ZINC000248388055 408555352 /nfs/dbraw/zinc/55/53/52/408555352.db2.gz CUGQWYKCQLVBAN-UONOGXRCSA-N 1 1 319.317 1.177 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000248406086 408560404 /nfs/dbraw/zinc/56/04/04/408560404.db2.gz SAYDBMBTINCZTD-WCQYABFASA-N 1 1 319.365 1.938 20 5 DDBDMO Nc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000161926268 408652936 /nfs/dbraw/zinc/65/29/36/408652936.db2.gz OJQKNFJRHJVVPE-PWSUYJOCSA-N 1 1 318.381 1.420 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000162614503 408719373 /nfs/dbraw/zinc/71/93/73/408719373.db2.gz VQSOVEMHNMHAQT-LLVKDONJSA-N 1 1 309.370 1.416 20 5 DDBDMO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000162614503 408719379 /nfs/dbraw/zinc/71/93/79/408719379.db2.gz VQSOVEMHNMHAQT-LLVKDONJSA-N 1 1 309.370 1.416 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000162614503 408719388 /nfs/dbraw/zinc/71/93/88/408719388.db2.gz VQSOVEMHNMHAQT-LLVKDONJSA-N 1 1 309.370 1.416 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249545168 408738785 /nfs/dbraw/zinc/73/87/85/408738785.db2.gz GAVVBQOOGJOHDK-KBPBESRZSA-N 1 1 307.394 1.963 20 5 DDBDMO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000185130862 408765327 /nfs/dbraw/zinc/76/53/27/408765327.db2.gz NBERQTNIEKNCIX-XXILOJSOSA-N 1 1 315.333 1.280 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000250046728 408773693 /nfs/dbraw/zinc/77/36/93/408773693.db2.gz CXIGFPVFGCSJGP-ZFWWWQNUSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285628913 408832081 /nfs/dbraw/zinc/83/20/81/408832081.db2.gz DWTWENZGNXLTMU-HUUCEWRRSA-N 1 1 319.361 1.448 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000277552488 408963721 /nfs/dbraw/zinc/96/37/21/408963721.db2.gz JANSLHDXRLEDJL-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277678350 408990341 /nfs/dbraw/zinc/99/03/41/408990341.db2.gz GDMNTLCUGLZLNR-KOLCDFICSA-N 1 1 322.287 1.427 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCOCCO ZINC000282133252 408997927 /nfs/dbraw/zinc/99/79/27/408997927.db2.gz RLXMLHRBVPEBMY-UHFFFAOYSA-N 1 1 312.366 1.824 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCOCCO ZINC000282133252 408997928 /nfs/dbraw/zinc/99/79/28/408997928.db2.gz RLXMLHRBVPEBMY-UHFFFAOYSA-N 1 1 312.366 1.824 20 5 DDBDMO O=C(CC[N@@H+]1CCCC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000282193598 409007990 /nfs/dbraw/zinc/00/79/90/409007990.db2.gz BQTMJDQOCNJXHS-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668333 409158303 /nfs/dbraw/zinc/15/83/03/409158303.db2.gz JPMLFWIXVHELFN-WCQYABFASA-N 1 1 307.398 1.073 20 5 DDBDMO C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293668333 409158305 /nfs/dbraw/zinc/15/83/05/409158305.db2.gz JPMLFWIXVHELFN-WCQYABFASA-N 1 1 307.398 1.073 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000279186470 409165937 /nfs/dbraw/zinc/16/59/37/409165937.db2.gz JHOHQMYMDWVGGB-BETUJISGSA-N 1 1 317.389 1.892 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293807807 409183751 /nfs/dbraw/zinc/18/37/51/409183751.db2.gz AMAJZJICWOGWFQ-HNNXBMFYSA-N 1 1 320.349 1.253 20 5 DDBDMO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000293945826 409212002 /nfs/dbraw/zinc/21/20/02/409212002.db2.gz RRSRQQMENMSJFB-OAHLLOKOSA-N 1 1 305.334 1.468 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 ZINC000293945826 409212006 /nfs/dbraw/zinc/21/20/06/409212006.db2.gz RRSRQQMENMSJFB-OAHLLOKOSA-N 1 1 305.334 1.468 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295101436 409323574 /nfs/dbraw/zinc/32/35/74/409323574.db2.gz SVMBYHFEFPINML-CYBMUJFWSA-N 1 1 314.363 1.668 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000295101436 409323580 /nfs/dbraw/zinc/32/35/80/409323580.db2.gz SVMBYHFEFPINML-CYBMUJFWSA-N 1 1 314.363 1.668 20 5 DDBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000295221551 409383119 /nfs/dbraw/zinc/38/31/19/409383119.db2.gz MSWMQAVOMITKRP-CQSZACIVSA-N 1 1 311.313 1.134 20 5 DDBDMO C[C@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223016 409383548 /nfs/dbraw/zinc/38/35/48/409383548.db2.gz VVKRZAWYDIXMDI-NWDGAFQWSA-N 1 1 312.366 1.426 20 5 DDBDMO CCc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304371957 409615989 /nfs/dbraw/zinc/61/59/89/409615989.db2.gz WICHQQOBOBVPNV-INIZCTEOSA-N 1 1 318.377 1.847 20 5 DDBDMO COC(=O)Cc1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000297192644 409845680 /nfs/dbraw/zinc/84/56/80/409845680.db2.gz QTVQEBQRQBCNKP-LBPRGKRZSA-N 1 1 307.350 1.674 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000297122781 409813902 /nfs/dbraw/zinc/81/39/02/409813902.db2.gz PFQBRPTXWCPHQF-UHFFFAOYSA-N 1 1 302.334 1.801 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357049851 409820413 /nfs/dbraw/zinc/82/04/13/409820413.db2.gz HOLQMOAPOWWGLM-WDEREUQCSA-N 1 1 309.370 1.273 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000342695698 409820805 /nfs/dbraw/zinc/82/08/05/409820805.db2.gz PTEULVODKBKSNJ-CYBMUJFWSA-N 1 1 310.350 1.445 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000297731374 409974664 /nfs/dbraw/zinc/97/46/64/409974664.db2.gz CABWOBLFUNAHPE-LLVKDONJSA-N 1 1 323.349 1.389 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354664326 410002135 /nfs/dbraw/zinc/00/21/35/410002135.db2.gz QLWMGJWPHVGUCC-UWVGGRQHSA-N 1 1 309.370 1.619 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298035778 410086139 /nfs/dbraw/zinc/08/61/39/410086139.db2.gz GBDJBJURJHKAIN-UHFFFAOYSA-N 1 1 322.365 1.218 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332351226 410086505 /nfs/dbraw/zinc/08/65/05/410086505.db2.gz PJTGIVKPGZMIMR-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@H](C)C1 ZINC000332351226 410086510 /nfs/dbraw/zinc/08/65/10/410086510.db2.gz PJTGIVKPGZMIMR-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H]1CC[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000298036796 410088655 /nfs/dbraw/zinc/08/86/55/410088655.db2.gz GVJWYPUQRMXLDV-STQMWFEESA-N 1 1 306.366 1.679 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539614 410091106 /nfs/dbraw/zinc/09/11/06/410091106.db2.gz SPUCXKIPEOSMCA-LLVKDONJSA-N 1 1 321.381 1.479 20 5 DDBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000351635839 410125087 /nfs/dbraw/zinc/12/50/87/410125087.db2.gz QKRIXZNWIIQUOB-QWHCGFSZSA-N 1 1 309.366 1.239 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357682296 410186288 /nfs/dbraw/zinc/18/62/88/410186288.db2.gz KERITXAMEGWMQK-KOLCDFICSA-N 1 1 308.338 1.671 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000355043807 410262430 /nfs/dbraw/zinc/26/24/30/410262430.db2.gz SNXIWNUJOQSTQZ-PWSUYJOCSA-N 1 1 324.333 1.102 20 5 DDBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347010714 410308455 /nfs/dbraw/zinc/30/84/55/410308455.db2.gz HIHHMBGAUOULKK-HNNXBMFYSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCO1 ZINC000347187229 410378566 /nfs/dbraw/zinc/37/85/66/410378566.db2.gz KVJMEMUEHODSKM-LLVKDONJSA-N 1 1 310.354 1.154 20 5 DDBDMO C[C@H]1[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000343441164 410454796 /nfs/dbraw/zinc/45/47/96/410454796.db2.gz BXNVMZSQHMQHPT-SMDDNHRTSA-N 1 1 307.350 1.573 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343451720 410463910 /nfs/dbraw/zinc/46/39/10/410463910.db2.gz OLEBVOQRUXOEFW-OLZOCXBDSA-N 1 1 321.377 1.963 20 5 DDBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332779 410479365 /nfs/dbraw/zinc/47/93/65/410479365.db2.gz IGYRQWBFOHNGPN-RISCZKNCSA-N 1 1 319.321 1.899 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480431 410576291 /nfs/dbraw/zinc/57/62/91/410576291.db2.gz RCPNUUPTIDFHAB-CHWSQXEVSA-N 1 1 312.366 1.427 20 5 DDBDMO CCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000301256056 410688048 /nfs/dbraw/zinc/68/80/48/410688048.db2.gz FOAVMABJQHIAHM-UHFFFAOYSA-N 1 1 307.354 1.011 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478269 410814990 /nfs/dbraw/zinc/81/49/90/410814990.db2.gz UFCUVYKRIREALX-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000331125792 410964244 /nfs/dbraw/zinc/96/42/44/410964244.db2.gz HQRADMAHUDFHLH-HNNXBMFYSA-N 1 1 321.377 1.772 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3(O)CCCC3)C2)nc1 ZINC000331420066 411080290 /nfs/dbraw/zinc/08/02/90/411080290.db2.gz KTPOLQGHQZDGFG-LBPRGKRZSA-N 1 1 306.366 1.781 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000331216406 411023411 /nfs/dbraw/zinc/02/34/11/411023411.db2.gz VVYBLNLRTWBHDE-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000331216406 411023416 /nfs/dbraw/zinc/02/34/16/411023416.db2.gz VVYBLNLRTWBHDE-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134407463 196387338 /nfs/dbraw/zinc/38/73/38/196387338.db2.gz BPWDJWDWVYRILD-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000361342569 418629834 /nfs/dbraw/zinc/62/98/34/418629834.db2.gz NLRPSRQTIDVRPF-ZNMIVQPWSA-N 1 1 303.362 1.432 20 5 DDBDMO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400322 418635394 /nfs/dbraw/zinc/63/53/94/418635394.db2.gz BUPXGKJSNJVKFQ-OLZOCXBDSA-N 1 1 323.397 1.684 20 5 DDBDMO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375400322 418635396 /nfs/dbraw/zinc/63/53/96/418635396.db2.gz BUPXGKJSNJVKFQ-OLZOCXBDSA-N 1 1 323.397 1.684 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])n2C)[nH+]c1 ZINC000347129653 418638333 /nfs/dbraw/zinc/63/83/33/418638333.db2.gz VZWAXRARZMNWMW-UHFFFAOYSA-N 1 1 317.349 1.869 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000361586783 418687906 /nfs/dbraw/zinc/68/79/06/418687906.db2.gz UJOCKURRZLRCRE-OLZOCXBDSA-N 1 1 310.350 1.445 20 5 DDBDMO Cn1c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000362054579 418745427 /nfs/dbraw/zinc/74/54/27/418745427.db2.gz DLPUGEMOZJGPGX-CYBMUJFWSA-N 1 1 320.393 1.928 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092752 418786861 /nfs/dbraw/zinc/78/68/61/418786861.db2.gz ZRAIIPQQDYTWGJ-UWVGGRQHSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092752 418786862 /nfs/dbraw/zinc/78/68/62/418786862.db2.gz ZRAIIPQQDYTWGJ-UWVGGRQHSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000408092752 418786864 /nfs/dbraw/zinc/78/68/64/418786864.db2.gz ZRAIIPQQDYTWGJ-UWVGGRQHSA-N 1 1 309.370 1.606 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000371827898 418820111 /nfs/dbraw/zinc/82/01/11/418820111.db2.gz BCUJNUMRAKMFRF-HNNXBMFYSA-N 1 1 321.377 1.380 20 5 DDBDMO C[N@H+]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411157156 418875186 /nfs/dbraw/zinc/87/51/86/418875186.db2.gz PXZGOYHOVWKEFD-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000365839913 418915554 /nfs/dbraw/zinc/91/55/54/418915554.db2.gz UBWWCQCCKPVOTO-MEDUHNTESA-N 1 1 319.361 1.769 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411905765 419464897 /nfs/dbraw/zinc/46/48/97/419464897.db2.gz CDPHQUFCFPNGCX-RYUDHWBXSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412042793 419581865 /nfs/dbraw/zinc/58/18/65/419581865.db2.gz UMKDNEFYWOJEQQ-COPLHBTASA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412042793 419581874 /nfs/dbraw/zinc/58/18/74/419581874.db2.gz UMKDNEFYWOJEQQ-COPLHBTASA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436338279 420321004 /nfs/dbraw/zinc/32/10/04/420321004.db2.gz BRHJFFAQOSAFRF-NSHDSACASA-N 1 1 320.271 1.487 20 5 DDBDMO CC1=CC[N@@H+](CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420610414 420330489 /nfs/dbraw/zinc/33/04/89/420330489.db2.gz KALRYRJHWDIRPB-UHFFFAOYSA-N 1 1 304.350 1.758 20 5 DDBDMO COc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000436009896 420301169 /nfs/dbraw/zinc/30/11/69/420301169.db2.gz WQFWEDXBHYCHOU-RYUDHWBXSA-N 1 1 319.361 1.960 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450796662 420534429 /nfs/dbraw/zinc/53/44/29/420534429.db2.gz VSRZMUQDTUYCGE-TXEJJXNPSA-N 1 1 309.370 1.395 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080879 420606279 /nfs/dbraw/zinc/60/62/79/420606279.db2.gz CMKPQCUFLJPDFI-LLVKDONJSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080879 420606284 /nfs/dbraw/zinc/60/62/84/420606284.db2.gz CMKPQCUFLJPDFI-LLVKDONJSA-N 1 1 323.397 1.996 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000457080879 420606288 /nfs/dbraw/zinc/60/62/88/420606288.db2.gz CMKPQCUFLJPDFI-LLVKDONJSA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492693589 420631494 /nfs/dbraw/zinc/63/14/94/420631494.db2.gz YZFLECDAPKBHBG-FWWRYZNZSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000452970832 420692088 /nfs/dbraw/zinc/69/20/88/420692088.db2.gz GDMRKSNKBOJLPB-JRPNMDOOSA-N 1 1 321.352 2.000 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000453046872 420707887 /nfs/dbraw/zinc/70/78/87/420707887.db2.gz YRHOZWOCLGIWTF-ILXRZTDVSA-N 1 1 306.366 1.273 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)nc2c1 ZINC000447902564 420812912 /nfs/dbraw/zinc/81/29/12/420812912.db2.gz FKGKRJNAFDZGLW-RYUDHWBXSA-N 1 1 307.306 1.366 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000456346707 421146260 /nfs/dbraw/zinc/14/62/60/421146260.db2.gz IZODHVMDSDDVTK-GFCCVEGCSA-N 1 1 306.366 1.855 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000456346707 421146262 /nfs/dbraw/zinc/14/62/62/421146262.db2.gz IZODHVMDSDDVTK-GFCCVEGCSA-N 1 1 306.366 1.855 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450598114 421215594 /nfs/dbraw/zinc/21/55/94/421215594.db2.gz PVHAEUPDKPHDDR-HNNXBMFYSA-N 1 1 323.393 2.000 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000546878070 421314559 /nfs/dbraw/zinc/31/45/59/421314559.db2.gz BKQCDTDOSNFNRJ-NSHDSACASA-N 1 1 313.379 1.215 20 5 DDBDMO COc1ccc(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525291753 421284399 /nfs/dbraw/zinc/28/43/99/421284399.db2.gz PWAZROBVYGLOJA-GFCCVEGCSA-N 1 1 321.377 1.604 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525687617 421295827 /nfs/dbraw/zinc/29/58/27/421295827.db2.gz KQTUUITZNGHMNM-UHFFFAOYSA-N 1 1 316.383 1.000 20 5 DDBDMO COc1ccc(C[N@H+](C)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000549570800 421502393 /nfs/dbraw/zinc/50/23/93/421502393.db2.gz DHJLSIPSCCFCHS-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000549570800 421502395 /nfs/dbraw/zinc/50/23/95/421502395.db2.gz DHJLSIPSCCFCHS-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418849 421506081 /nfs/dbraw/zinc/50/60/81/421506081.db2.gz QINQVXDWMRYTBR-WFASDCNBSA-N 1 1 304.394 1.418 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418849 421506082 /nfs/dbraw/zinc/50/60/82/421506082.db2.gz QINQVXDWMRYTBR-WFASDCNBSA-N 1 1 304.394 1.418 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000549743606 421506614 /nfs/dbraw/zinc/50/66/14/421506614.db2.gz KILUMQLLWSXPAP-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000531634751 421641363 /nfs/dbraw/zinc/64/13/63/421641363.db2.gz JOTPWECCMASVLG-RYUDHWBXSA-N 1 1 306.366 1.935 20 5 DDBDMO O=C1NCC[C@@H]1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571893055 421750494 /nfs/dbraw/zinc/75/04/94/421750494.db2.gz NQFDDMQGMSTPKE-LLVKDONJSA-N 1 1 305.334 1.315 20 5 DDBDMO O=C1NCC[C@@H]1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571893055 421750495 /nfs/dbraw/zinc/75/04/95/421750495.db2.gz NQFDDMQGMSTPKE-LLVKDONJSA-N 1 1 305.334 1.315 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520766176 421761221 /nfs/dbraw/zinc/76/12/21/421761221.db2.gz MPRKGDCUYGEORL-SECBINFHSA-N 1 1 319.317 1.290 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000541349088 421791177 /nfs/dbraw/zinc/79/11/77/421791177.db2.gz QHRWNWNTMHZFTP-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000557919986 421794891 /nfs/dbraw/zinc/79/48/91/421794891.db2.gz LSUBYROQWPRWCX-GFCCVEGCSA-N 1 1 306.366 1.803 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000557919986 421794893 /nfs/dbraw/zinc/79/48/93/421794893.db2.gz LSUBYROQWPRWCX-GFCCVEGCSA-N 1 1 306.366 1.803 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000572977761 421890124 /nfs/dbraw/zinc/89/01/24/421890124.db2.gz HMBZEIHYVAPDQV-UHFFFAOYSA-N 1 1 307.354 1.408 20 5 DDBDMO Cc1nc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591804 422351751 /nfs/dbraw/zinc/35/17/51/422351751.db2.gz LGTFJSZVWXHBHU-SDDRHHMPSA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1nc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591804 422351756 /nfs/dbraw/zinc/35/17/56/422351756.db2.gz LGTFJSZVWXHBHU-SDDRHHMPSA-N 1 1 308.382 2.208 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596078371 422362469 /nfs/dbraw/zinc/36/24/69/422362469.db2.gz UHDBSVTUHNALFY-TXEJJXNPSA-N 1 1 307.398 2.352 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000578480307 422578245 /nfs/dbraw/zinc/57/82/45/422578245.db2.gz QGTYCKAIMVJGTO-GFCCVEGCSA-N 1 1 321.377 1.740 20 5 DDBDMO C[C@@](O)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F ZINC000578741026 422635899 /nfs/dbraw/zinc/63/58/99/422635899.db2.gz BMMDREPXNWYHKL-LLVKDONJSA-N 1 1 318.255 1.874 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000345372494 272233517 /nfs/dbraw/zinc/23/35/17/272233517.db2.gz RJUOOGFAXUSEFP-UHFFFAOYSA-N 1 1 314.411 1.270 20 5 DDBDMO CN(CCCNC(=O)c1ccc([N+](=O)[O-])s1)CC[NH+](C)C ZINC000345372494 272233520 /nfs/dbraw/zinc/23/35/20/272233520.db2.gz RJUOOGFAXUSEFP-UHFFFAOYSA-N 1 1 314.411 1.270 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000345901799 272361888 /nfs/dbraw/zinc/36/18/88/272361888.db2.gz HYEOVJBUCXZQFD-NXEZZACHSA-N 1 1 309.370 1.191 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C ZINC000345901799 272361889 /nfs/dbraw/zinc/36/18/89/272361889.db2.gz HYEOVJBUCXZQFD-NXEZZACHSA-N 1 1 309.370 1.191 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[C@H](NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423494111 275040126 /nfs/dbraw/zinc/04/01/26/275040126.db2.gz RPTADJVHIPDEGC-HOTGVXAUSA-N 1 1 319.405 1.884 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000284699804 280225736 /nfs/dbraw/zinc/22/57/36/280225736.db2.gz IJXQQJVAFCZVEJ-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c1C ZINC000193360748 281015799 /nfs/dbraw/zinc/01/57/99/281015799.db2.gz AOAOANVPDYIRRJ-JTQLQIEISA-N 1 1 313.379 1.194 20 5 DDBDMO CCN1CC[NH+](CCC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000101660549 281046216 /nfs/dbraw/zinc/04/62/16/281046216.db2.gz VIDWCSGTIHSERX-UHFFFAOYSA-N 1 1 320.393 1.239 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000126038161 281224249 /nfs/dbraw/zinc/22/42/49/281224249.db2.gz KGURSSPIIOIYIP-HOCLYGCPSA-N 1 1 324.377 1.835 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170808197 298221909 /nfs/dbraw/zinc/22/19/09/298221909.db2.gz ZWQSICPJOMLKJI-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000354021243 298341832 /nfs/dbraw/zinc/34/18/32/298341832.db2.gz DDJMAAREGNVPKT-UHFFFAOYSA-N 1 1 317.349 1.462 20 5 DDBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](C)CC)cc([N+](=O)[O-])c1 ZINC000354027213 298343067 /nfs/dbraw/zinc/34/30/67/298343067.db2.gz FVWINGBZIXPZPM-UHFFFAOYSA-N 1 1 323.349 1.453 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000363099274 300210595 /nfs/dbraw/zinc/21/05/95/300210595.db2.gz FQVFTMVTMDHMAQ-QWHCGFSZSA-N 1 1 318.377 1.993 20 5 DDBDMO CO[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000363651023 300292994 /nfs/dbraw/zinc/29/29/94/300292994.db2.gz JNNXLBTWHYODGB-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000369500096 301191403 /nfs/dbraw/zinc/19/14/03/301191403.db2.gz JFXSERHBLDDAIU-JTQLQIEISA-N 1 1 312.395 1.741 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000533230222 303314225 /nfs/dbraw/zinc/31/42/25/303314225.db2.gz YNSCCJALPQTSGY-SNVBAGLBSA-N 1 1 309.370 1.513 20 5 DDBDMO C[N@@H+](CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000536010203 303353819 /nfs/dbraw/zinc/35/38/19/303353819.db2.gz JMJSGJMGSUCERJ-UHFFFAOYSA-N 1 1 318.377 1.757 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000537272508 303372855 /nfs/dbraw/zinc/37/28/55/303372855.db2.gz XIUHHEUPGOOVHQ-UHFFFAOYSA-N 1 1 304.350 1.656 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365115559 307059146 /nfs/dbraw/zinc/05/91/46/307059146.db2.gz ZTSFIBGLJOAREM-BZNIZROVSA-N 1 1 319.361 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365115559 307059147 /nfs/dbraw/zinc/05/91/47/307059147.db2.gz ZTSFIBGLJOAREM-BZNIZROVSA-N 1 1 319.361 1.769 20 5 DDBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000376268386 307242053 /nfs/dbraw/zinc/24/20/53/307242053.db2.gz VKHIKEGCHHZLGN-RISCZKNCSA-N 1 1 308.338 1.066 20 5 DDBDMO CCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301695 307242582 /nfs/dbraw/zinc/24/25/82/307242582.db2.gz HTFUGVZZEAGRCO-XHSDSOJGSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301695 307242583 /nfs/dbraw/zinc/24/25/83/307242583.db2.gz HTFUGVZZEAGRCO-XHSDSOJGSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301695 307242584 /nfs/dbraw/zinc/24/25/84/307242584.db2.gz HTFUGVZZEAGRCO-XHSDSOJGSA-N 1 1 317.389 1.775 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377553376 307272749 /nfs/dbraw/zinc/27/27/49/307272749.db2.gz HTUALIWQXOAZLE-VIFPVBQESA-N 1 1 304.306 1.433 20 5 DDBDMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000421021458 307300455 /nfs/dbraw/zinc/30/04/55/307300455.db2.gz OBYSYWSVYKWLTO-AGIUHOORSA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3(CO)COC3)C2)cc1 ZINC000574129196 308261842 /nfs/dbraw/zinc/26/18/42/308261842.db2.gz DCTQIXSBBOXCFO-AWEZNQCLSA-N 1 1 306.362 1.783 20 5 DDBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000574140983 308262981 /nfs/dbraw/zinc/26/29/81/308262981.db2.gz UXSJWIYNCUQMPY-LBPRGKRZSA-N 1 1 301.306 1.105 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727962 484215657 /nfs/dbraw/zinc/21/56/57/484215657.db2.gz WZZVIZLGSRHLMJ-DGCLKSJQSA-N 1 1 319.361 1.187 20 5 DDBDMO Cc1nn(C)c(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361680002 484522973 /nfs/dbraw/zinc/52/29/73/484522973.db2.gz ASONWBOSDWKQJU-LBPRGKRZSA-N 1 1 322.413 1.217 20 5 DDBDMO Cc1nn(C)c(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000361680002 484522976 /nfs/dbraw/zinc/52/29/76/484522976.db2.gz ASONWBOSDWKQJU-LBPRGKRZSA-N 1 1 322.413 1.217 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305766036 533899385 /nfs/dbraw/zinc/89/93/85/533899385.db2.gz RFDFFFVWCCRSRD-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452132181 534481094 /nfs/dbraw/zinc/48/10/94/534481094.db2.gz QKFOHUREBNHZBC-NSHDSACASA-N 1 1 307.350 1.288 20 5 DDBDMO CC[N@H+](CCC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444600644 528404712 /nfs/dbraw/zinc/40/47/12/528404712.db2.gz CDPOKCOAXCUGLI-UHFFFAOYSA-N 1 1 306.322 1.856 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444600644 528404721 /nfs/dbraw/zinc/40/47/21/528404721.db2.gz CDPOKCOAXCUGLI-UHFFFAOYSA-N 1 1 306.322 1.856 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000444169179 528514194 /nfs/dbraw/zinc/51/41/94/528514194.db2.gz PADYPAHGUXEHEM-UHFFFAOYSA-N 1 1 315.395 1.603 20 5 DDBDMO CC[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736536113 598298581 /nfs/dbraw/zinc/29/85/81/598298581.db2.gz CPKBYPJHYOFBAT-UHFFFAOYSA-N 1 1 317.353 1.671 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821266424 607160893 /nfs/dbraw/zinc/16/08/93/607160893.db2.gz CMFAQIRNQFHOPN-VIFPVBQESA-N 1 1 318.341 1.066 20 5 DDBDMO COCCC[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066371013 696351819 /nfs/dbraw/zinc/35/18/19/696351819.db2.gz XCIXCEUPVCWWMS-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO C[N@H+](CCn1cccn1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000111169206 696642435 /nfs/dbraw/zinc/64/24/35/696642435.db2.gz LMJNVCNNJMXLFA-UHFFFAOYSA-N 1 1 300.322 1.731 20 5 DDBDMO C[N@@H+](CCn1cccn1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000111169206 696642436 /nfs/dbraw/zinc/64/24/36/696642436.db2.gz LMJNVCNNJMXLFA-UHFFFAOYSA-N 1 1 300.322 1.731 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748348858 700112026 /nfs/dbraw/zinc/11/20/26/700112026.db2.gz LGLJULVIDNMLQN-NSHDSACASA-N 1 1 307.350 1.308 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000748348858 700112027 /nfs/dbraw/zinc/11/20/27/700112027.db2.gz LGLJULVIDNMLQN-NSHDSACASA-N 1 1 307.350 1.308 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000781966865 698667632 /nfs/dbraw/zinc/66/76/32/698667632.db2.gz QBAGZWNZCPXVFM-CQSZACIVSA-N 1 1 310.350 1.102 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801911956 700351875 /nfs/dbraw/zinc/35/18/75/700351875.db2.gz WNCUUOLZMFWUOS-BDAKNGLRSA-N 1 1 310.329 1.529 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2C(C)C)n1 ZINC000756829282 700642944 /nfs/dbraw/zinc/64/29/44/700642944.db2.gz JZLOGHWQLFHGHU-UHFFFAOYSA-N 1 1 320.353 1.561 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000758476049 700707578 /nfs/dbraw/zinc/70/75/78/700707578.db2.gz XUNFANOETFPWQG-UHFFFAOYSA-N 1 1 306.297 1.977 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762817734 700908508 /nfs/dbraw/zinc/90/85/08/700908508.db2.gz KAPANDQTRBKPAG-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO NC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000769751123 701254669 /nfs/dbraw/zinc/25/46/69/701254669.db2.gz DUTHMOIRFWEPGL-UHFFFAOYSA-N 1 1 303.322 1.359 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000839663796 701771837 /nfs/dbraw/zinc/77/18/37/701771837.db2.gz JRWHDFDVFYUKGO-LQKXBSAESA-N 1 1 306.362 1.721 20 5 DDBDMO COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839759862 701814170 /nfs/dbraw/zinc/81/41/70/701814170.db2.gz DSWSKDCVFRFDCM-HZSPNIEDSA-N 1 1 307.350 1.079 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000831175544 706650380 /nfs/dbraw/zinc/65/03/80/706650380.db2.gz LMYQXBGVAGAOLT-WCQYABFASA-N 1 1 302.277 1.330 20 5 DDBDMO CN(CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843052955 702809303 /nfs/dbraw/zinc/80/93/03/702809303.db2.gz QGFMBRHGGQYSBQ-UHFFFAOYSA-N 1 1 312.801 1.585 20 5 DDBDMO CON1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000846975861 703359797 /nfs/dbraw/zinc/35/97/97/703359797.db2.gz DANDXLIGALDSNF-UHFFFAOYSA-N 1 1 322.365 1.411 20 5 DDBDMO Cc1noc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[N+](=O)[O-] ZINC000851853496 703871445 /nfs/dbraw/zinc/87/14/45/703871445.db2.gz JACHWQZQSKBRPJ-UHFFFAOYSA-N 1 1 311.338 1.866 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972942 704038879 /nfs/dbraw/zinc/03/88/79/704038879.db2.gz PHWLLUZTRRYJAF-MLGOLLRUSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000818972942 704038883 /nfs/dbraw/zinc/03/88/83/704038883.db2.gz PHWLLUZTRRYJAF-MLGOLLRUSA-N 1 1 305.378 1.702 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000818972942 704038885 /nfs/dbraw/zinc/03/88/85/704038885.db2.gz PHWLLUZTRRYJAF-MLGOLLRUSA-N 1 1 305.378 1.702 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCS1 ZINC000870881616 704155767 /nfs/dbraw/zinc/15/57/67/704155767.db2.gz CUIAKVXXBIZNSV-QMTHXVAHSA-N 1 1 309.391 1.733 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565543 704271962 /nfs/dbraw/zinc/27/19/62/704271962.db2.gz HBZNGGOPEKKTDR-IUODEOHRSA-N 1 1 302.334 1.870 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853587965 704277543 /nfs/dbraw/zinc/27/75/43/704277543.db2.gz OZXYYWZDBUJWDI-MNOVXSKESA-N 1 1 319.317 1.429 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853587965 704277544 /nfs/dbraw/zinc/27/75/44/704277544.db2.gz OZXYYWZDBUJWDI-MNOVXSKESA-N 1 1 319.317 1.429 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000853965042 704341515 /nfs/dbraw/zinc/34/15/15/704341515.db2.gz CWTZKGAOCCEMDJ-ZDUSSCGKSA-N 1 1 306.366 1.212 20 5 DDBDMO Cc1c(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000821587663 704425408 /nfs/dbraw/zinc/42/54/08/704425408.db2.gz HIVMBIFKNKSXQR-BETUJISGSA-N 1 1 320.345 1.923 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855165889 704471859 /nfs/dbraw/zinc/47/18/59/704471859.db2.gz ZTRFKZQOFIPPEU-VIFPVBQESA-N 1 1 324.356 1.919 20 5 DDBDMO CCON(CC)C(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000858219814 704680170 /nfs/dbraw/zinc/68/01/70/704680170.db2.gz ZRKJFVIBXXLSKE-UHFFFAOYSA-N 1 1 311.338 1.493 20 5 DDBDMO CC[C@@H]([NH3+])c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000823147099 705152938 /nfs/dbraw/zinc/15/29/38/705152938.db2.gz VYLRDLJRRJJPAD-SNVBAGLBSA-N 1 1 322.321 1.996 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874842458 705197706 /nfs/dbraw/zinc/19/77/06/705197706.db2.gz HSLDRILZNQFZLX-STQMWFEESA-N 1 1 321.381 1.185 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000827278209 705967334 /nfs/dbraw/zinc/96/73/34/705967334.db2.gz VDUYPHRLGNACGD-HZMBPMFUSA-N 1 1 304.350 1.343 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328920 705976402 /nfs/dbraw/zinc/97/64/02/705976402.db2.gz FTMIGKANZPNMFK-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328920 705976403 /nfs/dbraw/zinc/97/64/03/705976403.db2.gz FTMIGKANZPNMFK-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827328920 705976404 /nfs/dbraw/zinc/97/64/04/705976404.db2.gz FTMIGKANZPNMFK-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000881846503 707391354 /nfs/dbraw/zinc/39/13/54/707391354.db2.gz LNGNWQKKNJUSIN-CYBMUJFWSA-N 1 1 318.377 1.993 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2[C@H](CO)CC[C@H]2CO)c1 ZINC000878883643 706524612 /nfs/dbraw/zinc/52/46/12/706524612.db2.gz YXMGHAMKUVPTFX-RYUDHWBXSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000865996190 706588395 /nfs/dbraw/zinc/58/83/95/706588395.db2.gz CUYOVKSCOAIZKG-NSHDSACASA-N 1 1 309.366 1.861 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000879963214 706835964 /nfs/dbraw/zinc/83/59/64/706835964.db2.gz HFZJRASPROHBAM-LBPRGKRZSA-N 1 1 309.366 1.239 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880318446 706939311 /nfs/dbraw/zinc/93/93/11/706939311.db2.gz ZEQFUSSTOJCZJY-PWSUYJOCSA-N 1 1 323.378 1.098 20 5 DDBDMO NC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000880392732 706962094 /nfs/dbraw/zinc/96/20/94/706962094.db2.gz JHIGORMMVAWRII-UHFFFAOYSA-N 1 1 307.350 1.104 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@]2(C)C1 ZINC000896914717 708181699 /nfs/dbraw/zinc/18/16/99/708181699.db2.gz QCMVRPJSZLQMFE-YGRLFVJLSA-N 1 1 302.338 1.025 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219486 708257526 /nfs/dbraw/zinc/25/75/26/708257526.db2.gz LDJGUJPJMUMFSS-STQMWFEESA-N 1 1 321.377 1.639 20 5 DDBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)cn1 ZINC000886030126 708684993 /nfs/dbraw/zinc/68/49/93/708684993.db2.gz GWKBFGCEBCBNCQ-GFCCVEGCSA-N 1 1 301.350 1.788 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000886220301 708717723 /nfs/dbraw/zinc/71/77/23/708717723.db2.gz GEFRBSDXYDCFIL-AWEZNQCLSA-N 1 1 306.366 1.286 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000886220301 708717725 /nfs/dbraw/zinc/71/77/25/708717725.db2.gz GEFRBSDXYDCFIL-AWEZNQCLSA-N 1 1 306.366 1.286 20 5 DDBDMO COc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887926380 709166306 /nfs/dbraw/zinc/16/63/06/709166306.db2.gz HDBPGZONABZLEY-MEDUHNTESA-N 1 1 319.361 1.627 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C[C@]2(C)C1 ZINC000887932081 709169690 /nfs/dbraw/zinc/16/96/90/709169690.db2.gz UNQKLGKNWUIXGJ-BMIGLBTASA-N 1 1 304.350 1.201 20 5 DDBDMO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[N+](=O)[O-] ZINC000928084739 713122042 /nfs/dbraw/zinc/12/20/42/713122042.db2.gz XPRKLSFGLPZEPD-NEPJUHHUSA-N 1 1 315.439 1.518 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928438952 713196528 /nfs/dbraw/zinc/19/65/28/713196528.db2.gz VFZNLKJHLJPXBT-GHMZBOCLSA-N 1 1 307.350 1.816 20 5 DDBDMO COc1c(O)ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000893668094 710769748 /nfs/dbraw/zinc/76/97/48/710769748.db2.gz CXBDJEYSERJQBN-WDEREUQCSA-N 1 1 309.366 1.833 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000911502693 710826132 /nfs/dbraw/zinc/82/61/32/710826132.db2.gz SWQIFPMBFBTQPK-UHFFFAOYSA-N 1 1 321.381 1.068 20 5 DDBDMO Cc1c(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000894395848 711101730 /nfs/dbraw/zinc/10/17/30/711101730.db2.gz BZEASVCPSMRHBF-HIFRSBDPSA-N 1 1 318.377 1.749 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000895444178 711513910 /nfs/dbraw/zinc/51/39/10/711513910.db2.gz RFGFWHZJYRQKMC-VXGBXAGGSA-N 1 1 308.334 1.777 20 5 DDBDMO C[C@@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737534 711590809 /nfs/dbraw/zinc/59/08/09/711590809.db2.gz AZFLAUXCEGRXHF-MFKMUULPSA-N 1 1 318.377 1.992 20 5 DDBDMO C[C@H]1[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737532 711590918 /nfs/dbraw/zinc/59/09/18/711590918.db2.gz AZFLAUXCEGRXHF-GWCFXTLKSA-N 1 1 318.377 1.992 20 5 DDBDMO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@H+]1C ZINC000895739553 711591815 /nfs/dbraw/zinc/59/18/15/711591815.db2.gz GWAMZUUMLUEGIS-DTWKUNHWSA-N 1 1 306.322 1.430 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931435389 714096740 /nfs/dbraw/zinc/09/67/40/714096740.db2.gz ACICZPARHJHDPL-YPMHNXCESA-N 1 1 320.349 1.887 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCn2cc[nH+]c21 ZINC000931521724 714118348 /nfs/dbraw/zinc/11/83/48/714118348.db2.gz OCZYFJPWNFYPKC-LLVKDONJSA-N 1 1 304.306 1.051 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931721894 714168706 /nfs/dbraw/zinc/16/87/06/714168706.db2.gz WPQWWTOELQBWDM-NUEKZKHPSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000923281343 714296437 /nfs/dbraw/zinc/29/64/37/714296437.db2.gz PEZGXCBWOPZBDO-DZGCQCFKSA-N 1 1 303.362 1.832 20 5 DDBDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932631791 714370406 /nfs/dbraw/zinc/37/04/06/714370406.db2.gz IHOASLAQCSZGSF-LBPRGKRZSA-N 1 1 307.350 1.622 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933216259 714538890 /nfs/dbraw/zinc/53/88/90/714538890.db2.gz GNXQRYJQEYQTHY-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933216259 714538892 /nfs/dbraw/zinc/53/88/92/714538892.db2.gz GNXQRYJQEYQTHY-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO COC[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933326323 714562898 /nfs/dbraw/zinc/56/28/98/714562898.db2.gz ADWJTAFKSDLMMV-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933326323 714562900 /nfs/dbraw/zinc/56/29/00/714562900.db2.gz ADWJTAFKSDLMMV-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933502069 714604834 /nfs/dbraw/zinc/60/48/34/714604834.db2.gz KVZKKZLYTXSXAB-UHFFFAOYSA-N 1 1 317.386 1.269 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933968242 714711125 /nfs/dbraw/zinc/71/11/25/714711125.db2.gz JAPJXAUENBILAL-JKSUJKDBSA-N 1 1 322.361 1.853 20 5 DDBDMO CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933995142 714717607 /nfs/dbraw/zinc/71/76/07/714717607.db2.gz AEDUVOXQWRMANH-UHFFFAOYSA-N 1 1 310.373 1.413 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934121146 714747346 /nfs/dbraw/zinc/74/73/46/714747346.db2.gz KOUPFODPQIFTKG-JSGCOSHPSA-N 1 1 323.349 1.651 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000934121146 714747347 /nfs/dbraw/zinc/74/73/47/714747347.db2.gz KOUPFODPQIFTKG-JSGCOSHPSA-N 1 1 323.349 1.651 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934258284 714777427 /nfs/dbraw/zinc/77/74/27/714777427.db2.gz CMKGNSJLIGXJAX-HZPDHXFCSA-N 1 1 323.368 1.765 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000925345680 714822550 /nfs/dbraw/zinc/82/25/50/714822550.db2.gz XRTKDYAZUDWVDN-WFASDCNBSA-N 1 1 320.393 1.871 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000934832313 714912824 /nfs/dbraw/zinc/91/28/24/714912824.db2.gz AXMPUKYQDCYDRH-UONOGXRCSA-N 1 1 308.382 1.930 20 5 DDBDMO CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000957550318 715950774 /nfs/dbraw/zinc/95/07/74/715950774.db2.gz VGOHECLSDFASFE-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029304718 740550682 /nfs/dbraw/zinc/55/06/82/740550682.db2.gz HHONPVXIBCACKI-QKPAOTATSA-N 1 1 319.405 1.827 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001029304718 740550685 /nfs/dbraw/zinc/55/06/85/740550685.db2.gz HHONPVXIBCACKI-QKPAOTATSA-N 1 1 319.405 1.827 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001029304718 740550686 /nfs/dbraw/zinc/55/06/86/740550686.db2.gz HHONPVXIBCACKI-QKPAOTATSA-N 1 1 319.405 1.827 20 5 DDBDMO CC(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938940 742887428 /nfs/dbraw/zinc/88/74/28/742887428.db2.gz OHDTVSGSULQTJZ-HUUCEWRRSA-N 1 1 305.378 1.681 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC001198755070 747599608 /nfs/dbraw/zinc/59/96/08/747599608.db2.gz XGCAVCLQPDNHCO-UONOGXRCSA-N 1 1 324.377 1.416 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107234056 749664019 /nfs/dbraw/zinc/66/40/19/749664019.db2.gz WMEJFWXVVRDHJO-PLNGDYQASA-N 1 1 321.381 1.414 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001034642330 750625026 /nfs/dbraw/zinc/62/50/26/750625026.db2.gz AQSYICAJBARPTN-HBJVGIJOSA-N 1 1 322.365 1.165 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035187208 751287784 /nfs/dbraw/zinc/28/77/84/751287784.db2.gz QGFDBTDEIIFYOY-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035187208 751287789 /nfs/dbraw/zinc/28/77/89/751287789.db2.gz QGFDBTDEIIFYOY-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035187208 751287793 /nfs/dbraw/zinc/28/77/93/751287793.db2.gz QGFDBTDEIIFYOY-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCOC[C@](O)(C(F)(F)F)C2)C1 ZINC001169014419 762178976 /nfs/dbraw/zinc/17/89/76/762178976.db2.gz ZLZOUOGVAZSCLT-MXWKQRLJSA-N 1 1 312.288 1.057 20 5 DDBDMO Cc1ncccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083445 760943640 /nfs/dbraw/zinc/94/36/40/760943640.db2.gz YYLKSSJLJARPOH-FAAHXZRKSA-N 1 1 318.377 1.040 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328788 766253607 /nfs/dbraw/zinc/25/36/07/766253607.db2.gz MRXPYYZXZXWRNB-DRZSPHRISA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170328788 766253613 /nfs/dbraw/zinc/25/36/13/766253613.db2.gz MRXPYYZXZXWRNB-DRZSPHRISA-N 1 1 312.341 1.939 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354406 766260194 /nfs/dbraw/zinc/26/01/94/766260194.db2.gz KUXFFEQXLMAXRJ-BXUZGUMPSA-N 1 1 321.377 1.745 20 5 DDBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001170342987 766275120 /nfs/dbraw/zinc/27/51/20/766275120.db2.gz OAVPMOWSIOOPPQ-UHFFFAOYSA-N 1 1 313.317 1.844 20 5 DDBDMO CC1(C)CC(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)C1 ZINC001048814551 769933278 /nfs/dbraw/zinc/93/32/78/769933278.db2.gz RMQMIBBCIHSOKL-LXTVHRRPSA-N 1 1 321.421 1.478 20 5 DDBDMO CC1(C)CC(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)C1 ZINC001048814551 769933288 /nfs/dbraw/zinc/93/32/88/769933288.db2.gz RMQMIBBCIHSOKL-LXTVHRRPSA-N 1 1 321.421 1.478 20 5 DDBDMO CC1(C)CC(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)C1 ZINC001048814551 769933297 /nfs/dbraw/zinc/93/32/97/769933297.db2.gz RMQMIBBCIHSOKL-LXTVHRRPSA-N 1 1 321.421 1.478 20 5 DDBDMO CC[N@H+](C)CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001146718835 772926089 /nfs/dbraw/zinc/92/60/89/772926089.db2.gz HGNNDRNLCYSWOU-UHFFFAOYSA-N 1 1 308.382 1.142 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001146718835 772926091 /nfs/dbraw/zinc/92/60/91/772926091.db2.gz HGNNDRNLCYSWOU-UHFFFAOYSA-N 1 1 308.382 1.142 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093840794 775125248 /nfs/dbraw/zinc/12/52/48/775125248.db2.gz WWVFQDKQFXEXFF-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094008753 775326286 /nfs/dbraw/zinc/32/62/86/775326286.db2.gz WSZRYXHBMOJAJQ-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO C[N@@H+](CC(=O)NCCNc1ccc([N+](=O)[O-])cn1)CC(C)(C)C ZINC001094141380 775525585 /nfs/dbraw/zinc/52/55/85/775525585.db2.gz STVPTCMLJOKBPH-UHFFFAOYSA-N 1 1 323.397 1.496 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001173224864 777059414 /nfs/dbraw/zinc/05/94/14/777059414.db2.gz HLLUUNVAUXLRFI-WMLDXEAASA-N 1 1 319.405 1.932 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC001110193774 778067563 /nfs/dbraw/zinc/06/75/63/778067563.db2.gz XITSGDVAXPSAMF-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO Cc1n[nH]c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1C ZINC001179353393 779341965 /nfs/dbraw/zinc/34/19/65/779341965.db2.gz QPLQMPALFVGWAC-OAHLLOKOSA-N 1 1 304.350 1.932 20 5 DDBDMO C[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001267208273 837536098 /nfs/dbraw/zinc/53/60/98/837536098.db2.gz ZOHQXHAJCIQYTP-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001267208273 837536102 /nfs/dbraw/zinc/53/61/02/837536102.db2.gz ZOHQXHAJCIQYTP-UHFFFAOYSA-N 1 1 320.324 1.924 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001327616166 862320705 /nfs/dbraw/zinc/32/07/05/862320705.db2.gz KNTJAEAFWZBBBN-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO O=C(NC1(C[NH2+]CC2CCC2)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001276199910 854947363 /nfs/dbraw/zinc/94/73/63/854947363.db2.gz HRSONECDQGWFLC-ZIAGYGMSSA-N 1 1 309.410 1.860 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC001224776861 881529612 /nfs/dbraw/zinc/52/96/12/881529612.db2.gz GGONNRTXRQVWQA-CYBMUJFWSA-N 1 1 310.350 1.711 20 5 DDBDMO Cc1ccccc1OCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775681 864130752 /nfs/dbraw/zinc/13/07/52/864130752.db2.gz WGLPGZYHLUEHNB-ZIAGYGMSSA-N 1 1 321.377 1.135 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CC[C@@H]2C1 ZINC001158433928 864652665 /nfs/dbraw/zinc/65/26/65/864652665.db2.gz PUWMYHJYRPSINR-SNVBAGLBSA-N 1 1 306.322 1.061 20 5 DDBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC001320080722 866458072 /nfs/dbraw/zinc/45/80/72/866458072.db2.gz LLIAVZGHETUNQD-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC001320080722 866458077 /nfs/dbraw/zinc/45/80/77/866458077.db2.gz LLIAVZGHETUNQD-ZIAGYGMSSA-N 1 1 307.350 1.229 20 5 DDBDMO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)c1 ZINC001323440668 866611824 /nfs/dbraw/zinc/61/18/24/866611824.db2.gz BZOKKJXVMJXCHY-HUUCEWRRSA-N 1 1 317.389 1.707 20 5 DDBDMO COc1ccc(NCCC[NH+]2CCN(C)CC2)nc1[N+](=O)[O-] ZINC001161700495 866902136 /nfs/dbraw/zinc/90/21/36/866902136.db2.gz FZKSKEFHXFKSBV-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001322404725 868154794 /nfs/dbraw/zinc/15/47/94/868154794.db2.gz BRJGBTJJKKOTEA-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCCC[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001163552210 868524792 /nfs/dbraw/zinc/52/47/92/868524792.db2.gz BZABAXLTIXTERD-STMXVASLSA-N 1 1 306.366 1.873 20 5 DDBDMO Cc1[nH]c(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c(C)[nH+]1 ZINC001164181775 868998072 /nfs/dbraw/zinc/99/80/72/868998072.db2.gz HNKUXRFHQWOXSL-UHFFFAOYSA-N 1 1 324.362 1.950 20 5 DDBDMO C[N@@H+](C1CN(c2nccc(Cl)c2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165204105 869426238 /nfs/dbraw/zinc/42/62/38/869426238.db2.gz UDFUAOPTSRRWEJ-SECBINFHSA-N 1 1 312.757 1.553 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@H]2C1 ZINC001338161459 869841207 /nfs/dbraw/zinc/84/12/07/869841207.db2.gz CNOLYLVQGTYZJV-SDDRHHMPSA-N 1 1 301.350 1.995 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001339085890 870337591 /nfs/dbraw/zinc/33/75/91/870337591.db2.gz HMYUFMZTQLKAOI-INIZCTEOSA-N 1 1 319.361 1.284 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H]1C[N@@H+](C)CCN1C ZINC001348311187 874476311 /nfs/dbraw/zinc/47/63/11/874476311.db2.gz GOTGLUQOPDFAET-BXKDBHETSA-N 1 1 311.361 1.362 20 5 DDBDMO C[N@H+]1CC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227257546 882937353 /nfs/dbraw/zinc/93/73/53/882937353.db2.gz GPUXVINVWWIVTI-SSDOTTSWSA-N 1 1 302.128 1.835 20 5 DDBDMO NC(=O)c1cc(N2CCC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001350441022 875691753 /nfs/dbraw/zinc/69/17/53/875691753.db2.gz OYDUAHJYZYJKBT-GFCCVEGCSA-N 1 1 304.350 1.368 20 5 DDBDMO CCCSc1nc(O[C@H]2C[NH2+]C[C@@H]2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218020329 877374825 /nfs/dbraw/zinc/37/48/25/877374825.db2.gz QBXFQMXUYGCWOW-BQBZGAKWSA-N 1 1 318.330 1.281 20 5 DDBDMO CCOC(=O)c1ccc(CO[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001223963839 881164741 /nfs/dbraw/zinc/16/47/41/881164741.db2.gz RFBXIBAZEWJWCG-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]1CC(=O)C2 ZINC001227744020 883153259 /nfs/dbraw/zinc/15/32/59/883153259.db2.gz CRXUNZOJYMMNGX-CUOATXAZSA-N 1 1 316.317 1.654 20 5 DDBDMO OC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)CC[C@H]1O ZINC001232218313 886166378 /nfs/dbraw/zinc/16/63/78/886166378.db2.gz FUPHJKIPJQJFDN-DOTOQJQBSA-N 1 1 323.396 1.958 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](F)[C@@H](O)C3)CC2)cc1 ZINC001254476029 896456851 /nfs/dbraw/zinc/45/68/51/896456851.db2.gz JRDYLFDMQZAHSL-CVEARBPZSA-N 1 1 323.368 1.968 20 5 DDBDMO Cc1cc(N(C(N)=[NH2+])[C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001254550853 896498959 /nfs/dbraw/zinc/49/89/59/896498959.db2.gz SHNHGRZTBUZGMN-SNVBAGLBSA-N 1 1 302.338 1.957 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001254562873 896500630 /nfs/dbraw/zinc/50/06/30/896500630.db2.gz QKPRWMRYZQAKBV-GDBMZVCRSA-N 1 1 319.405 1.932 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](N3CCOCC3)C1)C2 ZINC001254601425 896525047 /nfs/dbraw/zinc/52/50/47/896525047.db2.gz ZSBKLWOGNIYUIX-IAGOWNOFSA-N 1 1 317.389 1.469 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250808 529442476 /nfs/dbraw/zinc/44/24/76/529442476.db2.gz JKFUQLFBXJVLEQ-ZFWWWQNUSA-N 1 1 310.350 1.181 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000452347586 231356066 /nfs/dbraw/zinc/35/60/66/231356066.db2.gz IYHRNZVZMMJIJJ-AWEZNQCLSA-N 1 1 307.350 1.171 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000089985404 185274681 /nfs/dbraw/zinc/27/46/81/185274681.db2.gz UTZYGJRMLTWTCR-UHFFFAOYSA-N 1 1 309.391 1.997 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000089985404 185274682 /nfs/dbraw/zinc/27/46/82/185274682.db2.gz UTZYGJRMLTWTCR-UHFFFAOYSA-N 1 1 309.391 1.997 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cn1 ZINC000286607748 219080753 /nfs/dbraw/zinc/08/07/53/219080753.db2.gz SYPNLVOITRPWQY-UHFFFAOYSA-N 1 1 305.338 1.936 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)C1 ZINC000292819013 530065616 /nfs/dbraw/zinc/06/56/16/530065616.db2.gz OTCJIYDFULUHKX-HNNXBMFYSA-N 1 1 319.365 1.011 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000457813589 232135108 /nfs/dbraw/zinc/13/51/08/232135108.db2.gz CIPBBVICQPCQAX-UHFFFAOYSA-N 1 1 316.317 1.521 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000279703197 215075148 /nfs/dbraw/zinc/07/51/48/215075148.db2.gz JHOHREBVFUXREU-AWEZNQCLSA-N 1 1 323.393 1.626 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000272616697 210016125 /nfs/dbraw/zinc/01/61/25/210016125.db2.gz LHZIWVGJOXKKOY-ZWNOBZJWSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272606285 210004375 /nfs/dbraw/zinc/00/43/75/210004375.db2.gz JRFRMVBCCCPRSP-HIFRSBDPSA-N 1 1 303.362 1.690 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280018160 215316064 /nfs/dbraw/zinc/31/60/64/215316064.db2.gz KGJLCEAQBQMINA-CZUORRHYSA-N 1 1 324.377 1.571 20 5 DDBDMO C[NH+](C)Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1F ZINC000159628888 186131939 /nfs/dbraw/zinc/13/19/39/186131939.db2.gz XUUYQKIJYSDYOX-UHFFFAOYSA-N 1 1 321.312 1.449 20 5 DDBDMO CC(C)(O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189946004 186253400 /nfs/dbraw/zinc/25/34/00/186253400.db2.gz BSFBPXXAWMFSMN-CYBMUJFWSA-N 1 1 324.377 1.570 20 5 DDBDMO CC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024670868 352191205 /nfs/dbraw/zinc/19/12/05/352191205.db2.gz RHWWFSMIHABCNQ-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO CC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024670868 352191208 /nfs/dbraw/zinc/19/12/08/352191208.db2.gz RHWWFSMIHABCNQ-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026342662 352208121 /nfs/dbraw/zinc/20/81/21/352208121.db2.gz PQFVCBKEVURODA-LLVKDONJSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026342662 352208124 /nfs/dbraw/zinc/20/81/24/352208124.db2.gz PQFVCBKEVURODA-LLVKDONJSA-N 1 1 307.350 1.953 20 5 DDBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000331719398 234041192 /nfs/dbraw/zinc/04/11/92/234041192.db2.gz QXIRWGVNCCZTAQ-HUUCEWRRSA-N 1 1 319.361 1.717 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072858394 191239908 /nfs/dbraw/zinc/23/99/08/191239908.db2.gz BTYNGUTYUDSHKK-GFCCVEGCSA-N 1 1 320.393 1.467 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000061469755 352887299 /nfs/dbraw/zinc/88/72/99/352887299.db2.gz SRPGXOWJNZOBNP-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000068219491 353096859 /nfs/dbraw/zinc/09/68/59/353096859.db2.gz VYWDVVUVJBBHSZ-LLVKDONJSA-N 1 1 307.350 1.573 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCc3ccccc3C2)c1 ZINC000173712840 198243615 /nfs/dbraw/zinc/24/36/15/198243615.db2.gz YNZWNYLWNZFDAY-MRXNPFEDSA-N 1 1 316.361 1.601 20 5 DDBDMO CCC[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072953257 353227172 /nfs/dbraw/zinc/22/71/72/353227172.db2.gz MKBUKFPVVMWQMA-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072953257 353227176 /nfs/dbraw/zinc/22/71/76/353227176.db2.gz MKBUKFPVVMWQMA-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000174313592 198318286 /nfs/dbraw/zinc/31/82/86/198318286.db2.gz WJDZJRWWWCUWAE-NWDGAFQWSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000174313592 198318288 /nfs/dbraw/zinc/31/82/88/198318288.db2.gz WJDZJRWWWCUWAE-NWDGAFQWSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1nn(C)c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772863 353330382 /nfs/dbraw/zinc/33/03/82/353330382.db2.gz DNZXIRVVONSORZ-CYBMUJFWSA-N 1 1 307.398 1.805 20 5 DDBDMO Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000074726073 353327025 /nfs/dbraw/zinc/32/70/25/353327025.db2.gz BKXYGDOAIZAATQ-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO C[N@@H+](CCOc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654226 198365312 /nfs/dbraw/zinc/36/53/12/198365312.db2.gz CRGOYXDNJYOEHV-AWEZNQCLSA-N 1 1 320.349 1.163 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3sccc3C2)c1 ZINC000174702839 198371903 /nfs/dbraw/zinc/37/19/03/198371903.db2.gz YROZFZDNIGTNTC-LBPRGKRZSA-N 1 1 308.363 1.272 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076795581 353438588 /nfs/dbraw/zinc/43/85/88/353438588.db2.gz WEFVZGCJHSKCQN-NSHDSACASA-N 1 1 308.386 1.891 20 5 DDBDMO Cc1cnc(NCCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000078630208 353526178 /nfs/dbraw/zinc/52/61/78/353526178.db2.gz GJFXSKJOCZHPFC-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO CN(C(=O)C[NH+]1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000079989949 353585938 /nfs/dbraw/zinc/58/59/38/353585938.db2.gz RSGLHMVDOWFDGF-UHFFFAOYSA-N 1 1 307.350 1.262 20 5 DDBDMO Cc1ccc(N2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000080645018 353620278 /nfs/dbraw/zinc/62/02/78/353620278.db2.gz MCSJPTJESAFTJZ-UHFFFAOYSA-N 1 1 301.350 1.963 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000093333333 353895811 /nfs/dbraw/zinc/89/58/11/353895811.db2.gz RBIXKICKSSNGLK-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000093333333 353895812 /nfs/dbraw/zinc/89/58/12/353895812.db2.gz RBIXKICKSSNGLK-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000617751301 363287507 /nfs/dbraw/zinc/28/75/07/363287507.db2.gz FHMPGKJKYBEFSW-ZOWXZIJZSA-N 1 1 321.377 1.534 20 5 DDBDMO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000617751301 363287512 /nfs/dbraw/zinc/28/75/12/363287512.db2.gz FHMPGKJKYBEFSW-ZOWXZIJZSA-N 1 1 321.377 1.534 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144479486 354154700 /nfs/dbraw/zinc/15/47/00/354154700.db2.gz UMISSTUGGPNSCQ-NSHDSACASA-N 1 1 305.334 1.327 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000317434369 354511426 /nfs/dbraw/zinc/51/14/26/354511426.db2.gz WTINYFNJTKCINS-CYBMUJFWSA-N 1 1 307.350 1.431 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCO)CC2CC2)c1 ZINC000589496924 354995954 /nfs/dbraw/zinc/99/59/54/354995954.db2.gz YYDRNSGWMYLHES-UHFFFAOYSA-N 1 1 308.334 1.586 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000590550119 355110833 /nfs/dbraw/zinc/11/08/33/355110833.db2.gz MFVMWJNHCAXSDI-ZDUSSCGKSA-N 1 1 320.393 1.786 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590763174 355171056 /nfs/dbraw/zinc/17/10/56/355171056.db2.gz PFROAHRSGSYUOW-MRXNPFEDSA-N 1 1 324.377 1.695 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cncs3)CC2)cn1 ZINC000591010575 355231997 /nfs/dbraw/zinc/23/19/97/355231997.db2.gz WGBRKLLOQGSQMH-UHFFFAOYSA-N 1 1 319.390 1.811 20 5 DDBDMO CNC(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591476896 355320606 /nfs/dbraw/zinc/32/06/06/355320606.db2.gz CKFAUOOPONSBDA-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256420 355548439 /nfs/dbraw/zinc/54/84/39/355548439.db2.gz YYVKIUTXUBTMKW-NWDGAFQWSA-N 1 1 321.381 1.478 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593067535 355785313 /nfs/dbraw/zinc/78/53/13/355785313.db2.gz VLCKHGDNBKUVJI-ZIAGYGMSSA-N 1 1 323.349 1.005 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594065079 356103910 /nfs/dbraw/zinc/10/39/10/356103910.db2.gz ODPVUIZCYUKFTE-LLVKDONJSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594065079 356103915 /nfs/dbraw/zinc/10/39/15/356103915.db2.gz ODPVUIZCYUKFTE-LLVKDONJSA-N 1 1 307.350 1.687 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080259627 192017935 /nfs/dbraw/zinc/01/79/35/192017935.db2.gz ZGMCQQUHYIFRMW-UHFFFAOYSA-N 1 1 308.382 1.487 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594596962 356260192 /nfs/dbraw/zinc/26/01/92/356260192.db2.gz BPNWVDFWHOWSND-NEPJUHHUSA-N 1 1 319.365 1.518 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000594716035 356294497 /nfs/dbraw/zinc/29/44/97/356294497.db2.gz GWZOXUPYWIFDGD-CABCVRRESA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000594716035 356294500 /nfs/dbraw/zinc/29/45/00/356294500.db2.gz GWZOXUPYWIFDGD-CABCVRRESA-N 1 1 320.324 1.738 20 5 DDBDMO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000595517276 356528975 /nfs/dbraw/zinc/52/89/75/356528975.db2.gz DLYDJPSKJIKIGW-UHFFFAOYSA-N 1 1 306.326 1.120 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)Cc1ccccc1 ZINC000595599571 356570385 /nfs/dbraw/zinc/57/03/85/356570385.db2.gz YRDQPWAHTHCERD-AWEZNQCLSA-N 1 1 304.350 1.327 20 5 DDBDMO CC1(C)CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1CCO ZINC000618164842 363484901 /nfs/dbraw/zinc/48/49/01/363484901.db2.gz TXOAGKWREBHQPP-UHFFFAOYSA-N 1 1 320.393 1.456 20 5 DDBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595679070 356607527 /nfs/dbraw/zinc/60/75/27/356607527.db2.gz UTICLVPURXOESR-TZMCWYRMSA-N 1 1 309.366 1.239 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000595664113 356599764 /nfs/dbraw/zinc/59/97/64/356599764.db2.gz YCLGCQYOUHPQNV-INIZCTEOSA-N 1 1 324.377 1.967 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000595664113 356599766 /nfs/dbraw/zinc/59/97/66/356599766.db2.gz YCLGCQYOUHPQNV-INIZCTEOSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748319 356635212 /nfs/dbraw/zinc/63/52/12/356635212.db2.gz FNDKNAFLWDZUBV-CQJJVWNLSA-N 1 1 324.377 1.283 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595762095 356641758 /nfs/dbraw/zinc/64/17/58/356641758.db2.gz ZXPOWZPUZRFGGD-BLLLJJGKSA-N 1 1 322.361 1.951 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596309345 356853462 /nfs/dbraw/zinc/85/34/62/356853462.db2.gz ZEVKPZNTHLNVTE-NSHDSACASA-N 1 1 306.366 1.978 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596539299 356911359 /nfs/dbraw/zinc/91/13/59/356911359.db2.gz OFQBCFZZJYCIJV-LBPRGKRZSA-N 1 1 309.341 1.769 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598220004 357497480 /nfs/dbraw/zinc/49/74/80/357497480.db2.gz NFWKKIKPUQUAJA-NSHDSACASA-N 1 1 321.381 1.465 20 5 DDBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CC)C(=O)OCC ZINC000276824295 213116131 /nfs/dbraw/zinc/11/61/31/213116131.db2.gz OUCPPYNTDWPOIQ-CYBMUJFWSA-N 1 1 312.370 1.845 20 5 DDBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CC)C(=O)OCC ZINC000276824295 213116135 /nfs/dbraw/zinc/11/61/35/213116135.db2.gz OUCPPYNTDWPOIQ-CYBMUJFWSA-N 1 1 312.370 1.845 20 5 DDBDMO COC[C@@]1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599693364 358028177 /nfs/dbraw/zinc/02/81/77/358028177.db2.gz ORMBXVFZDGIUNL-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO COC[C@@]1(C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599693364 358028179 /nfs/dbraw/zinc/02/81/79/358028179.db2.gz ORMBXVFZDGIUNL-OAHLLOKOSA-N 1 1 310.350 1.711 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000599704805 358032799 /nfs/dbraw/zinc/03/27/99/358032799.db2.gz UEEDGDSNYSOJJJ-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000600190538 358150952 /nfs/dbraw/zinc/15/09/52/358150952.db2.gz GWZFWJLAYGPXME-GMNBZTITSA-N 1 1 320.345 1.872 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000600190538 358150955 /nfs/dbraw/zinc/15/09/55/358150955.db2.gz GWZFWJLAYGPXME-GMNBZTITSA-N 1 1 320.345 1.872 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600229421 358163738 /nfs/dbraw/zinc/16/37/38/358163738.db2.gz SCSQJYGMXOXABN-ZDUSSCGKSA-N 1 1 321.381 1.315 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600313738 358193117 /nfs/dbraw/zinc/19/31/17/358193117.db2.gz JOBPLGAMVBCFBV-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO C[N@@H+](CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600816337 358323513 /nfs/dbraw/zinc/32/35/13/358323513.db2.gz BLDBPJYPBJSKJF-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000600974264 358364585 /nfs/dbraw/zinc/36/45/85/358364585.db2.gz XULPFFATCAKFQO-UHFFFAOYSA-N 1 1 317.349 1.839 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)C3CCOCC3)c2c1 ZINC000601118108 358409608 /nfs/dbraw/zinc/40/96/08/358409608.db2.gz HFCHNMMNBNSRCI-MRXNPFEDSA-N 1 1 317.345 1.764 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000601776162 358690798 /nfs/dbraw/zinc/69/07/98/358690798.db2.gz HICOPDMTSNUAEB-LRDDRELGSA-N 1 1 321.377 1.260 20 5 DDBDMO Cc1cc([N+](=O)[O-])nn1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601960862 358754407 /nfs/dbraw/zinc/75/44/07/358754407.db2.gz WVFGYYWAYBPQCM-MRXNPFEDSA-N 1 1 316.361 1.737 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602664763 359110992 /nfs/dbraw/zinc/11/09/92/359110992.db2.gz VEFRMBUKOUCIEN-NSHDSACASA-N 1 1 322.287 1.608 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602664763 359110993 /nfs/dbraw/zinc/11/09/93/359110993.db2.gz VEFRMBUKOUCIEN-NSHDSACASA-N 1 1 322.287 1.608 20 5 DDBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000602809676 359206498 /nfs/dbraw/zinc/20/64/98/359206498.db2.gz CDWHCBBZWFMONB-VIFPVBQESA-N 1 1 310.276 1.345 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000602831135 359223650 /nfs/dbraw/zinc/22/36/50/359223650.db2.gz ZCKKLFJEWGBIME-DOMZBBRYSA-N 1 1 324.381 1.370 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000602831135 359223656 /nfs/dbraw/zinc/22/36/56/359223656.db2.gz ZCKKLFJEWGBIME-DOMZBBRYSA-N 1 1 324.381 1.370 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000602910446 359288844 /nfs/dbraw/zinc/28/88/44/359288844.db2.gz YSPOIBZRKHUVFW-GOEBONIOSA-N 1 1 324.377 1.700 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000602910446 359288847 /nfs/dbraw/zinc/28/88/47/359288847.db2.gz YSPOIBZRKHUVFW-GOEBONIOSA-N 1 1 324.377 1.700 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000603223226 359495258 /nfs/dbraw/zinc/49/52/58/359495258.db2.gz FZYUBNOYRCSKDD-UHFFFAOYSA-N 1 1 305.313 1.970 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC1(CO)CC1 ZINC000186800296 200012937 /nfs/dbraw/zinc/01/29/37/200012937.db2.gz XTYAMHLEKSOYHN-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(CO)CC1 ZINC000186800296 200012940 /nfs/dbraw/zinc/01/29/40/200012940.db2.gz XTYAMHLEKSOYHN-LLVKDONJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000186935424 200034104 /nfs/dbraw/zinc/03/41/04/200034104.db2.gz KVAYODZSJMPBNN-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000186935424 200034106 /nfs/dbraw/zinc/03/41/06/200034106.db2.gz KVAYODZSJMPBNN-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000186963142 200039258 /nfs/dbraw/zinc/03/92/58/200039258.db2.gz UGLQOHGLRDBMOI-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000604197975 359725839 /nfs/dbraw/zinc/72/58/39/359725839.db2.gz CSELTQMFXFPEJI-SECBINFHSA-N 1 1 303.322 1.295 20 5 DDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604278209 359731753 /nfs/dbraw/zinc/73/17/53/359731753.db2.gz SMMSNAHAYKZONE-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604278209 359731754 /nfs/dbraw/zinc/73/17/54/359731754.db2.gz SMMSNAHAYKZONE-LBPRGKRZSA-N 1 1 313.379 1.108 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000609919666 360364882 /nfs/dbraw/zinc/36/48/82/360364882.db2.gz WWQNTAJVGAJIJP-CYBMUJFWSA-N 1 1 322.365 1.115 20 5 DDBDMO CN(C(=O)C[N@H+](CCCO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610132897 360384887 /nfs/dbraw/zinc/38/48/87/360384887.db2.gz AUOOJQPKLPKFQI-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO CN(C(=O)C[N@@H+](CCCO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610132897 360384889 /nfs/dbraw/zinc/38/48/89/360384889.db2.gz AUOOJQPKLPKFQI-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000612469105 361032139 /nfs/dbraw/zinc/03/21/39/361032139.db2.gz PBXQDVNMGDFQHZ-GASCZTMLSA-N 1 1 318.377 1.211 20 5 DDBDMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000612469105 361032140 /nfs/dbraw/zinc/03/21/40/361032140.db2.gz PBXQDVNMGDFQHZ-GASCZTMLSA-N 1 1 318.377 1.211 20 5 DDBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000193566984 201076754 /nfs/dbraw/zinc/07/67/54/201076754.db2.gz CHLSMWBPIZPQFM-NOZJJQNGSA-N 1 1 321.333 1.076 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619254979 363946741 /nfs/dbraw/zinc/94/67/41/363946741.db2.gz ROJGCUDFHWSZFV-ZFWWWQNUSA-N 1 1 321.352 1.782 20 5 DDBDMO C[NH2+][C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000261987858 203169050 /nfs/dbraw/zinc/16/90/50/203169050.db2.gz KRSHZZHQFGVOSO-ZDUSSCGKSA-N 1 1 303.322 1.536 20 5 DDBDMO Nc1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000264667577 204064709 /nfs/dbraw/zinc/06/47/09/204064709.db2.gz VMABBIJFNMVYTN-VIFPVBQESA-N 1 1 322.340 1.530 20 5 DDBDMO C[C@H](CC[NH+](C)C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264953495 204298052 /nfs/dbraw/zinc/29/80/52/204298052.db2.gz YJZHXZJBWHCDLV-SECBINFHSA-N 1 1 305.338 1.541 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111901 205106938 /nfs/dbraw/zinc/10/69/38/205106938.db2.gz VGVKNXXJQLGLJW-GXSJLCMTSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111901 205106943 /nfs/dbraw/zinc/10/69/43/205106943.db2.gz VGVKNXXJQLGLJW-GXSJLCMTSA-N 1 1 309.370 1.429 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266111901 205106948 /nfs/dbraw/zinc/10/69/48/205106948.db2.gz VGVKNXXJQLGLJW-GXSJLCMTSA-N 1 1 309.370 1.429 20 5 DDBDMO COc1ccc(OCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351501986 284349065 /nfs/dbraw/zinc/34/90/65/284349065.db2.gz YQKLZXUMUABKEY-FPMFFAJLSA-N 1 1 321.377 1.651 20 5 DDBDMO CC(C)[N@H+](Cc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266507268 205395932 /nfs/dbraw/zinc/39/59/32/205395932.db2.gz CEPXAMRFKBBVKY-CYBMUJFWSA-N 1 1 308.338 1.656 20 5 DDBDMO C[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000023695499 182366770 /nfs/dbraw/zinc/36/67/70/182366770.db2.gz CSZFSBICUWURTB-JTQLQIEISA-N 1 1 321.333 1.994 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000023695499 182366772 /nfs/dbraw/zinc/36/67/72/182366772.db2.gz CSZFSBICUWURTB-JTQLQIEISA-N 1 1 321.333 1.994 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000102488862 248243190 /nfs/dbraw/zinc/24/31/90/248243190.db2.gz JBLOXCFUHJLBRM-ZDUSSCGKSA-N 1 1 323.397 1.256 20 5 DDBDMO Cc1nn(C)c(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000104574578 194016193 /nfs/dbraw/zinc/01/61/93/194016193.db2.gz ZHAZCGSHMIHWCI-UHFFFAOYSA-N 1 1 309.370 1.241 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000338677708 250087127 /nfs/dbraw/zinc/08/71/27/250087127.db2.gz RFUPWIUWBBTOBS-GFCCVEGCSA-N 1 1 323.397 1.375 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339226007 250351175 /nfs/dbraw/zinc/35/11/75/250351175.db2.gz DLMMVQVNBYOBMI-LLVKDONJSA-N 1 1 321.333 1.418 20 5 DDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000285035015 218264665 /nfs/dbraw/zinc/26/46/65/218264665.db2.gz GHEMFMMXAAHJSR-UHFFFAOYSA-N 1 1 317.349 1.700 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414215259 532996746 /nfs/dbraw/zinc/99/67/46/532996746.db2.gz UJCRYSBAGVOQJB-NSHDSACASA-N 1 1 307.350 1.541 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417932 285037364 /nfs/dbraw/zinc/03/73/64/285037364.db2.gz WHRRDHIYLSHZOJ-GFCCVEGCSA-N 1 1 308.334 1.988 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000567882396 304251195 /nfs/dbraw/zinc/25/11/95/304251195.db2.gz WXIFSLTZKUBGPD-UHFFFAOYSA-N 1 1 301.306 1.078 20 5 DDBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[N@@H+]1CCCOCC1 ZINC000412995067 224117410 /nfs/dbraw/zinc/11/74/10/224117410.db2.gz BTXHXIYBJGMJMU-UHFFFAOYSA-N 1 1 301.730 1.132 20 5 DDBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1CC[N@H+]1CCCOCC1 ZINC000412995067 224117412 /nfs/dbraw/zinc/11/74/12/224117412.db2.gz BTXHXIYBJGMJMU-UHFFFAOYSA-N 1 1 301.730 1.132 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCc3occc3C2)c1 ZINC000288708673 220361261 /nfs/dbraw/zinc/36/12/61/220361261.db2.gz FEPOSAINMNUIKU-CYBMUJFWSA-N 1 1 306.322 1.194 20 5 DDBDMO Cc1csc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000157665454 197205918 /nfs/dbraw/zinc/20/59/18/197205918.db2.gz DGKBGZUBEVNUJB-UHFFFAOYSA-N 1 1 322.394 1.378 20 5 DDBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000155392132 197050802 /nfs/dbraw/zinc/05/08/02/197050802.db2.gz OQRCQNIWMKXKQK-TXEJJXNPSA-N 1 1 307.350 1.525 20 5 DDBDMO C[NH+](C)C1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294867572 224275404 /nfs/dbraw/zinc/27/54/04/224275404.db2.gz DNGFCECUJQHTRT-UHFFFAOYSA-N 1 1 315.333 1.371 20 5 DDBDMO COC(=O)[C@@H]([NH2+]CCCNc1ccc([N+](=O)[O-])c(C)n1)C(C)C ZINC000295033655 224391626 /nfs/dbraw/zinc/39/16/26/224391626.db2.gz VWRDSYYLNSRYNB-AWEZNQCLSA-N 1 1 324.381 1.887 20 5 DDBDMO CC[NH+](CC)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000074441009 184985751 /nfs/dbraw/zinc/98/57/51/184985751.db2.gz VLVIWMINYQKXOS-UHFFFAOYSA-N 1 1 319.365 1.933 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)n1 ZINC000292905829 292017873 /nfs/dbraw/zinc/01/78/73/292017873.db2.gz XAWNGFFAPXEYSW-AOOOYVTPSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000292905829 292017874 /nfs/dbraw/zinc/01/78/74/292017874.db2.gz XAWNGFFAPXEYSW-AOOOYVTPSA-N 1 1 308.338 1.305 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000430248476 286249540 /nfs/dbraw/zinc/24/95/40/286249540.db2.gz ZQKRBBPZMZWIOY-RISCZKNCSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000430248476 286249541 /nfs/dbraw/zinc/24/95/41/286249541.db2.gz ZQKRBBPZMZWIOY-RISCZKNCSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272937204 286381646 /nfs/dbraw/zinc/38/16/46/286381646.db2.gz LOBTVBQDHRFCOK-LLVKDONJSA-N 1 1 319.361 1.984 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000073996775 406899957 /nfs/dbraw/zinc/89/99/57/406899957.db2.gz AIALVDZDZFIRHF-GXTWGEPZSA-N 1 1 319.361 1.669 20 5 DDBDMO CCOCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000084680880 407093086 /nfs/dbraw/zinc/09/30/86/407093086.db2.gz QHPIHTQGGUXDFI-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO CCOCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000084680880 407093089 /nfs/dbraw/zinc/09/30/89/407093089.db2.gz QHPIHTQGGUXDFI-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000091081657 407177363 /nfs/dbraw/zinc/17/73/63/407177363.db2.gz JJCWLFCATOGALW-ZDUSSCGKSA-N 1 1 304.354 1.968 20 5 DDBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054371057 407183721 /nfs/dbraw/zinc/18/37/21/407183721.db2.gz BWBFMPPQXFCXJI-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124721029 407367927 /nfs/dbraw/zinc/36/79/27/407367927.db2.gz XNRBTZVELILIHX-ZYHUDNBSSA-N 1 1 306.366 1.853 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000108562523 407388553 /nfs/dbraw/zinc/38/85/53/407388553.db2.gz UQLZLLIEQYMZGI-AWEZNQCLSA-N 1 1 320.393 1.778 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111276887 407405048 /nfs/dbraw/zinc/40/50/48/407405048.db2.gz OVSZKHUTDFOXHO-AEGPPILISA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111276887 407405049 /nfs/dbraw/zinc/40/50/49/407405049.db2.gz OVSZKHUTDFOXHO-AEGPPILISA-N 1 1 324.377 1.834 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000126237109 407409284 /nfs/dbraw/zinc/40/92/84/407409284.db2.gz UMQOGJQANOALJJ-QWRGUYRKSA-N 1 1 323.397 1.487 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270980687 407449209 /nfs/dbraw/zinc/44/92/09/407449209.db2.gz XDCLSMQQAWQUCD-WDMOLILDSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270980687 407449216 /nfs/dbraw/zinc/44/92/16/407449216.db2.gz XDCLSMQQAWQUCD-WDMOLILDSA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639935 407460871 /nfs/dbraw/zinc/46/08/71/407460871.db2.gz VNZGNYLUFWGRDA-LLVKDONJSA-N 1 1 304.350 1.986 20 5 DDBDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266540028 407551943 /nfs/dbraw/zinc/55/19/43/407551943.db2.gz PRXSKKMKVQBXKL-IUODEOHRSA-N 1 1 316.361 1.772 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000185910952 407535236 /nfs/dbraw/zinc/53/52/36/407535236.db2.gz YGHSNHKDMOOOOU-OAHLLOKOSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@]1(C(N)=O)CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000185910952 407535244 /nfs/dbraw/zinc/53/52/44/407535244.db2.gz YGHSNHKDMOOOOU-OAHLLOKOSA-N 1 1 307.350 1.704 20 5 DDBDMO C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000178863962 407631248 /nfs/dbraw/zinc/63/12/48/407631248.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 1 1 307.394 1.902 20 5 DDBDMO C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000178863962 407631253 /nfs/dbraw/zinc/63/12/53/407631253.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 1 1 307.394 1.902 20 5 DDBDMO C[C@]1(CCCO)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000272064235 407761233 /nfs/dbraw/zinc/76/12/33/407761233.db2.gz XIJWNPQMJFRSDG-OAHLLOKOSA-N 1 1 309.366 1.384 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000171873521 407786927 /nfs/dbraw/zinc/78/69/27/407786927.db2.gz RLYZYNHKVCBBRR-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153582400 407853637 /nfs/dbraw/zinc/85/36/37/407853637.db2.gz AZTAFLKBERKPEJ-CYBMUJFWSA-N 1 1 307.350 1.526 20 5 DDBDMO O=C(NC[C@H]1CCCC[NH2+]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237982967 407863474 /nfs/dbraw/zinc/86/34/74/407863474.db2.gz ZDIRAEHYSPVJFD-SECBINFHSA-N 1 1 303.322 1.343 20 5 DDBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000134149271 407886970 /nfs/dbraw/zinc/88/69/70/407886970.db2.gz XRAXVCYAXAUHLS-GFCCVEGCSA-N 1 1 307.350 1.293 20 5 DDBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CCO ZINC000187739017 407887042 /nfs/dbraw/zinc/88/70/42/407887042.db2.gz VJOLOCDLVIATQQ-NSHDSACASA-N 1 1 320.349 1.234 20 5 DDBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1CCO ZINC000187739017 407887049 /nfs/dbraw/zinc/88/70/49/407887049.db2.gz VJOLOCDLVIATQQ-NSHDSACASA-N 1 1 320.349 1.234 20 5 DDBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272493321 407948127 /nfs/dbraw/zinc/94/81/27/407948127.db2.gz CPQSZZCAQHMBKT-IINYFYTJSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272493321 407948130 /nfs/dbraw/zinc/94/81/30/407948130.db2.gz CPQSZZCAQHMBKT-IINYFYTJSA-N 1 1 305.334 1.467 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000245613600 408028397 /nfs/dbraw/zinc/02/83/97/408028397.db2.gz LZDSXWDIFKBHCT-STQMWFEESA-N 1 1 312.391 1.772 20 5 DDBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000135560722 408032152 /nfs/dbraw/zinc/03/21/52/408032152.db2.gz WFJNOHUDNMQRMV-ZDUSSCGKSA-N 1 1 304.354 1.534 20 5 DDBDMO CC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000181545170 408012277 /nfs/dbraw/zinc/01/22/77/408012277.db2.gz YJIAXYPPVILBFZ-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000181545170 408012286 /nfs/dbraw/zinc/01/22/86/408012286.db2.gz YJIAXYPPVILBFZ-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000268505467 408074275 /nfs/dbraw/zinc/07/42/75/408074275.db2.gz QYJCYZHVXLHHHI-GFCCVEGCSA-N 1 1 307.354 1.050 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000154825454 408091533 /nfs/dbraw/zinc/09/15/33/408091533.db2.gz OJFLDAZPXYRQNP-YPMHNXCESA-N 1 1 318.377 1.733 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000263646377 408188537 /nfs/dbraw/zinc/18/85/37/408188537.db2.gz ASRWJJVSPZDJET-HNNXBMFYSA-N 1 1 320.393 1.949 20 5 DDBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156444273 408256116 /nfs/dbraw/zinc/25/61/16/408256116.db2.gz TXDRQJJIRSCENJ-CQSZACIVSA-N 1 1 321.377 1.774 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156455257 408260684 /nfs/dbraw/zinc/26/06/84/408260684.db2.gz HQVGIXBUAWPYII-AWEZNQCLSA-N 1 1 321.377 1.774 20 5 DDBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)CC1 ZINC000150794233 408202252 /nfs/dbraw/zinc/20/22/52/408202252.db2.gz PNSAVYVBXLQJAL-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCN(C)CC1 ZINC000263919405 408314602 /nfs/dbraw/zinc/31/46/02/408314602.db2.gz RWFDXSJZRRUXNN-SNVBAGLBSA-N 1 1 320.353 1.179 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246838158 408351434 /nfs/dbraw/zinc/35/14/34/408351434.db2.gz SUENZZMPOSULBG-ZFWWWQNUSA-N 1 1 319.361 1.695 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)n1 ZINC000191783808 408491355 /nfs/dbraw/zinc/49/13/55/408491355.db2.gz KHRLFCIDMYATHE-RYUDHWBXSA-N 1 1 323.397 1.661 20 5 DDBDMO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000264441945 408491749 /nfs/dbraw/zinc/49/17/49/408491749.db2.gz BVXRPEOWIUYCRO-SNVBAGLBSA-N 1 1 313.379 1.415 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000264441945 408491756 /nfs/dbraw/zinc/49/17/56/408491756.db2.gz BVXRPEOWIUYCRO-SNVBAGLBSA-N 1 1 313.379 1.415 20 5 DDBDMO CCc1ccc(C(=O)NCC[N@@H+](CC)CCO)cc1[N+](=O)[O-] ZINC000183993202 408523884 /nfs/dbraw/zinc/52/38/84/408523884.db2.gz GUWXAHQDVVQVRB-UHFFFAOYSA-N 1 1 309.366 1.201 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000192484770 408596610 /nfs/dbraw/zinc/59/66/10/408596610.db2.gz LPNOFZMLSQZYAL-PHIMTYICSA-N 1 1 304.350 1.119 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)C2CCC2)c1 ZINC000275801260 408682962 /nfs/dbraw/zinc/68/29/62/408682962.db2.gz GFYKAQXAXLMCLJ-CQSZACIVSA-N 1 1 310.350 1.181 20 5 DDBDMO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)o1 ZINC000184771773 408685020 /nfs/dbraw/zinc/68/50/20/408685020.db2.gz ISDCANOWHPUIML-CYBMUJFWSA-N 1 1 321.333 1.635 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193191 408785897 /nfs/dbraw/zinc/78/58/97/408785897.db2.gz LUWSFCMYYCQSCS-NSHDSACASA-N 1 1 322.365 1.018 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193175 408786208 /nfs/dbraw/zinc/78/62/08/408786208.db2.gz LUWSFCMYYCQSCS-LLVKDONJSA-N 1 1 322.365 1.018 20 5 DDBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105871 408759031 /nfs/dbraw/zinc/75/90/31/408759031.db2.gz VCVIFEGTUZTYFE-PRWKNARSSA-N 1 1 300.380 1.672 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194058899 408760899 /nfs/dbraw/zinc/76/08/99/408760899.db2.gz QSNILOWKNBHATI-VIFPVBQESA-N 1 1 310.310 1.317 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194058899 408760903 /nfs/dbraw/zinc/76/09/03/408760903.db2.gz QSNILOWKNBHATI-VIFPVBQESA-N 1 1 310.310 1.317 20 5 DDBDMO COCCOCCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000276145256 408822928 /nfs/dbraw/zinc/82/29/28/408822928.db2.gz FJVHOBXDAPQMMY-UHFFFAOYSA-N 1 1 312.366 1.706 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501250 408872114 /nfs/dbraw/zinc/87/21/14/408872114.db2.gz JMWODCZBGYTLRB-OTYXRUKQSA-N 1 1 304.350 1.390 20 5 DDBDMO COC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282261608 409021275 /nfs/dbraw/zinc/02/12/75/409021275.db2.gz CVQMMJVAEOFLSY-DJSGYFEHSA-N 1 1 322.361 1.759 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000278977720 409124641 /nfs/dbraw/zinc/12/46/41/409124641.db2.gz YQMBYBNYJQOQNR-UHFFFAOYSA-N 1 1 309.366 1.652 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293578268 409142131 /nfs/dbraw/zinc/14/21/31/409142131.db2.gz AYPICKHIBXWTIC-JTQLQIEISA-N 1 1 321.381 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293578268 409142133 /nfs/dbraw/zinc/14/21/33/409142133.db2.gz AYPICKHIBXWTIC-JTQLQIEISA-N 1 1 321.381 1.573 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000293578268 409142135 /nfs/dbraw/zinc/14/21/35/409142135.db2.gz AYPICKHIBXWTIC-JTQLQIEISA-N 1 1 321.381 1.573 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000279273767 409183168 /nfs/dbraw/zinc/18/31/68/409183168.db2.gz WOBVUHQGAKPONT-JTQLQIEISA-N 1 1 324.356 1.481 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000288820786 409183289 /nfs/dbraw/zinc/18/32/89/409183289.db2.gz HLVJTCFDTCQWBH-UHFFFAOYSA-N 1 1 315.805 1.939 20 5 DDBDMO CN(CCCNc1ncc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000288820786 409183292 /nfs/dbraw/zinc/18/32/92/409183292.db2.gz HLVJTCFDTCQWBH-UHFFFAOYSA-N 1 1 315.805 1.939 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2[nH+]ccn2C)CC1 ZINC000288817996 409183493 /nfs/dbraw/zinc/18/34/93/409183493.db2.gz HYBNMXKYJJMJPX-UHFFFAOYSA-N 1 1 319.369 1.180 20 5 DDBDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000296047300 409411095 /nfs/dbraw/zinc/41/10/95/409411095.db2.gz NMOJVCZPCHMFCC-ZDUSSCGKSA-N 1 1 321.377 1.677 20 5 DDBDMO CC(C)[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290612819 409460760 /nfs/dbraw/zinc/46/07/60/409460760.db2.gz KLFUJRXXLWXYOK-UHFFFAOYSA-N 1 1 307.354 1.009 20 5 DDBDMO CNc1c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000317037813 164024935 /nfs/dbraw/zinc/02/49/35/164024935.db2.gz RKJBJWNUNWEVEP-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO CN1CC[NH+](CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296220845 409467942 /nfs/dbraw/zinc/46/79/42/409467942.db2.gz DEQUUASWYXFJAM-UHFFFAOYSA-N 1 1 318.381 1.521 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000408073606 164219241 /nfs/dbraw/zinc/21/92/41/164219241.db2.gz QSZLWEPKKSPGMY-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000408073606 164219242 /nfs/dbraw/zinc/21/92/42/164219242.db2.gz QSZLWEPKKSPGMY-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO CC[C@H]1CCCC[N@H+]1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290674998 409484293 /nfs/dbraw/zinc/48/42/93/409484293.db2.gz RPLPIDOWTDAVQR-NSHDSACASA-N 1 1 321.381 1.765 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000356811742 409628069 /nfs/dbraw/zinc/62/80/69/409628069.db2.gz PPHSXLWOGHBMEO-SNVBAGLBSA-N 1 1 311.386 1.729 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357049849 409819374 /nfs/dbraw/zinc/81/93/74/409819374.db2.gz HOLQMOAPOWWGLM-MNOVXSKESA-N 1 1 309.370 1.273 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000346325883 409917948 /nfs/dbraw/zinc/91/79/48/409917948.db2.gz RRRDAOYGYDFOES-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350911925 410013015 /nfs/dbraw/zinc/01/30/15/410013015.db2.gz UZOVTCXTVZJMJV-DTORHVGOSA-N 1 1 306.326 1.751 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922040 410002328 /nfs/dbraw/zinc/00/23/28/410002328.db2.gz UAOJLNKCOJYTTK-JTQLQIEISA-N 1 1 302.334 1.900 20 5 DDBDMO CCNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000339325859 410096227 /nfs/dbraw/zinc/09/62/27/410096227.db2.gz POHWZVSTPPTBOQ-CQSZACIVSA-N 1 1 322.365 1.284 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298074726 410102193 /nfs/dbraw/zinc/10/21/93/410102193.db2.gz GVJKNODCEGJMIT-UHFFFAOYSA-N 1 1 302.334 1.854 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000346759146 410135514 /nfs/dbraw/zinc/13/55/14/410135514.db2.gz APHFVAVIVLZCLM-NEPJUHHUSA-N 1 1 323.397 1.468 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346759152 410136489 /nfs/dbraw/zinc/13/64/89/410136489.db2.gz APHFVAVIVLZCLM-NWDGAFQWSA-N 1 1 323.397 1.468 20 5 DDBDMO C[C@@H]1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339618879 410333728 /nfs/dbraw/zinc/33/37/28/410333728.db2.gz GNSGIIAPTLFDFG-NFAWXSAZSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000298840242 410422010 /nfs/dbraw/zinc/42/20/10/410422010.db2.gz HKWJQPAIXSAQGC-GHMZBOCLSA-N 1 1 324.381 1.541 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777818 410393230 /nfs/dbraw/zinc/39/32/30/410393230.db2.gz DIIBZXMFQSDFJR-WDEREUQCSA-N 1 1 321.333 1.417 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000298777818 410393234 /nfs/dbraw/zinc/39/32/34/410393234.db2.gz DIIBZXMFQSDFJR-WDEREUQCSA-N 1 1 321.333 1.417 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000355335627 410451196 /nfs/dbraw/zinc/45/11/96/410451196.db2.gz TYYMQOIXIOXHGC-CYBMUJFWSA-N 1 1 307.398 1.492 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@H]1CCO ZINC000347391510 410517224 /nfs/dbraw/zinc/51/72/24/410517224.db2.gz PLKWOBLLBXTRQN-GFCCVEGCSA-N 1 1 312.391 1.773 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347469558 410568071 /nfs/dbraw/zinc/56/80/71/410568071.db2.gz ZADUZMMJPMHGDP-NSHDSACASA-N 1 1 317.349 1.671 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480437 410577269 /nfs/dbraw/zinc/57/72/69/410577269.db2.gz RCPNUUPTIDFHAB-QWHCGFSZSA-N 1 1 312.366 1.427 20 5 DDBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359354891 410617294 /nfs/dbraw/zinc/61/72/94/410617294.db2.gz VEYHAIPMODNPCT-ZDUSSCGKSA-N 1 1 318.377 1.673 20 5 DDBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000352952631 410698513 /nfs/dbraw/zinc/69/85/13/410698513.db2.gz VXJVMUKNUPRGIM-GHMZBOCLSA-N 1 1 313.379 1.356 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000343829906 410732030 /nfs/dbraw/zinc/73/20/30/410732030.db2.gz NHUCSGXQWPTVRC-YGRLFVJLSA-N 1 1 319.361 1.816 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000330643408 410846280 /nfs/dbraw/zinc/84/62/80/410846280.db2.gz DZSQEQUULCUGQU-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1O ZINC000330643408 410846288 /nfs/dbraw/zinc/84/62/88/410846288.db2.gz DZSQEQUULCUGQU-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000359783585 410877183 /nfs/dbraw/zinc/87/71/83/410877183.db2.gz HVAGPFLYJSXNGN-NSHDSACASA-N 1 1 311.386 1.661 20 5 DDBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330604172 410821393 /nfs/dbraw/zinc/82/13/93/410821393.db2.gz GSFFMSXKURGQQN-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330604172 410821398 /nfs/dbraw/zinc/82/13/98/410821398.db2.gz GSFFMSXKURGQQN-GFCCVEGCSA-N 1 1 313.379 1.108 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517846 410994161 /nfs/dbraw/zinc/99/41/61/410994161.db2.gz YSFNXIDFZDVPPO-NSHDSACASA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517846 410994166 /nfs/dbraw/zinc/99/41/66/410994166.db2.gz YSFNXIDFZDVPPO-NSHDSACASA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000348517846 410994171 /nfs/dbraw/zinc/99/41/71/410994171.db2.gz YSFNXIDFZDVPPO-NSHDSACASA-N 1 1 321.381 1.579 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1(O)CCC1 ZINC000353467881 411004891 /nfs/dbraw/zinc/00/48/91/411004891.db2.gz NFCNGFORNMYMHA-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000344260585 411061341 /nfs/dbraw/zinc/06/13/41/411061341.db2.gz VZQYOBPWPUAFNH-UHFFFAOYSA-N 1 1 307.325 1.902 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000331209644 411019260 /nfs/dbraw/zinc/01/92/60/411019260.db2.gz GYYWYEUXBVELNF-UHFFFAOYSA-N 1 1 309.370 1.609 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC[C@H]2C)n1 ZINC000331209011 411021019 /nfs/dbraw/zinc/02/10/19/411021019.db2.gz QBQFQONQAIEBOI-LLVKDONJSA-N 1 1 309.370 1.415 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000361012714 418565263 /nfs/dbraw/zinc/56/52/63/418565263.db2.gz HCXGNKBEMNVJOI-GFCCVEGCSA-N 1 1 324.429 1.558 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000374857977 418570951 /nfs/dbraw/zinc/57/09/51/418570951.db2.gz PQJWRYCZIGEZAY-UHFFFAOYSA-N 1 1 321.381 1.187 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCN(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000291020897 222077531 /nfs/dbraw/zinc/07/75/31/222077531.db2.gz XPKWYBFWCBCBDH-UHFFFAOYSA-N 1 1 313.321 1.521 20 5 DDBDMO Cc1c([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000367320674 418584030 /nfs/dbraw/zinc/58/40/30/418584030.db2.gz YIRCZSPTEPTPLU-AWEZNQCLSA-N 1 1 304.354 1.670 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375038637 418592733 /nfs/dbraw/zinc/59/27/33/418592733.db2.gz MAZJASZGVMQJJD-DOMZBBRYSA-N 1 1 319.361 1.526 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000368269711 418713236 /nfs/dbraw/zinc/71/32/36/418713236.db2.gz NADPGSWZQSMRDC-HUUCEWRRSA-N 1 1 302.334 1.772 20 5 DDBDMO C[C@@](O)(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614010 418662728 /nfs/dbraw/zinc/66/27/28/418662728.db2.gz SXPBEALEFKPULM-MWLCHTKSSA-N 1 1 322.287 1.742 20 5 DDBDMO C[C@@](O)(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000375614010 418662731 /nfs/dbraw/zinc/66/27/31/418662731.db2.gz SXPBEALEFKPULM-MWLCHTKSSA-N 1 1 322.287 1.742 20 5 DDBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361593754 418689450 /nfs/dbraw/zinc/68/94/50/418689450.db2.gz HICVYHGTKJRNPY-KBPBESRZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC1 ZINC000361593777 418689729 /nfs/dbraw/zinc/68/97/29/418689729.db2.gz HMPDOPPHTOYDCD-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC1 ZINC000361593777 418689730 /nfs/dbraw/zinc/68/97/30/418689730.db2.gz HMPDOPPHTOYDCD-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000387573795 418743407 /nfs/dbraw/zinc/74/34/07/418743407.db2.gz XOWQLLCTPICGLJ-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408106101 418788863 /nfs/dbraw/zinc/78/88/63/418788863.db2.gz XBISAYXQOTZOKR-UWVGGRQHSA-N 1 1 317.349 1.772 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000371688061 418809185 /nfs/dbraw/zinc/80/91/85/418809185.db2.gz CLWUJUQLBRZLQK-KGLIPLIRSA-N 1 1 324.377 1.429 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788095 418902219 /nfs/dbraw/zinc/90/22/19/418902219.db2.gz TXJCABZQDQUKNR-IAQYHMDHSA-N 1 1 321.381 1.614 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000372155909 418841067 /nfs/dbraw/zinc/84/10/67/418841067.db2.gz HVBCRMVCOPUPMB-OCCSQVGLSA-N 1 1 319.361 1.552 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000411607708 419360711 /nfs/dbraw/zinc/36/07/11/419360711.db2.gz DFUYVQOBKFOFGS-BXUZGUMPSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000426213358 419406971 /nfs/dbraw/zinc/40/69/71/419406971.db2.gz CDVMVPOUUDWCSP-GZBFAFLISA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420933435 419366346 /nfs/dbraw/zinc/36/63/46/419366346.db2.gz FYGHRIPISSZYKS-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)n1 ZINC000411948343 419512784 /nfs/dbraw/zinc/51/27/84/419512784.db2.gz PQNWEPGZLRNRRD-ZIAGYGMSSA-N 1 1 302.334 1.599 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412067520 419613674 /nfs/dbraw/zinc/61/36/74/419613674.db2.gz DTNIRYVEFAANPZ-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412067520 419613683 /nfs/dbraw/zinc/61/36/83/419613683.db2.gz DTNIRYVEFAANPZ-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412111126 419674592 /nfs/dbraw/zinc/67/45/92/419674592.db2.gz VQTMZJJUJBKXEK-ZFWWWQNUSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412111126 419674595 /nfs/dbraw/zinc/67/45/95/419674595.db2.gz VQTMZJJUJBKXEK-ZFWWWQNUSA-N 1 1 324.377 1.557 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000421902517 419763212 /nfs/dbraw/zinc/76/32/12/419763212.db2.gz UXPSHEMLMVPKEY-ZDUSSCGKSA-N 1 1 321.377 1.350 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000421902517 419763216 /nfs/dbraw/zinc/76/32/16/419763216.db2.gz UXPSHEMLMVPKEY-ZDUSSCGKSA-N 1 1 321.377 1.350 20 5 DDBDMO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000422797485 419967439 /nfs/dbraw/zinc/96/74/39/419967439.db2.gz MVSSYNDIUSVOJJ-LBPRGKRZSA-N 1 1 317.349 1.871 20 5 DDBDMO CN1CCNC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423517859 420068900 /nfs/dbraw/zinc/06/89/00/420068900.db2.gz OJFZKFMBVPZIDI-HOCLYGCPSA-N 1 1 304.394 1.465 20 5 DDBDMO C[N@@H+](CCCNC(=O)C1CCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000429555788 420025570 /nfs/dbraw/zinc/02/55/70/420025570.db2.gz GBIOFBYZFOTNDL-UHFFFAOYSA-N 1 1 309.370 1.030 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996944 420041213 /nfs/dbraw/zinc/04/12/13/420041213.db2.gz FSHWWNFVEOOGTB-UWVGGRQHSA-N 1 1 312.345 1.207 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996944 420041216 /nfs/dbraw/zinc/04/12/16/420041216.db2.gz FSHWWNFVEOOGTB-UWVGGRQHSA-N 1 1 312.345 1.207 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000420283563 420181756 /nfs/dbraw/zinc/18/17/56/420181756.db2.gz CDIYZEASHPRQLL-DOMZBBRYSA-N 1 1 320.393 1.983 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420393351 420258443 /nfs/dbraw/zinc/25/84/43/420258443.db2.gz XNMAKNRYYJFIOJ-UHFFFAOYSA-N 1 1 324.381 1.473 20 5 DDBDMO Nc1c(F)c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450796776 420534381 /nfs/dbraw/zinc/53/43/81/420534381.db2.gz WKGKMKWBPNQOKA-AOOOYVTPSA-N 1 1 310.329 1.591 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000417788194 420479347 /nfs/dbraw/zinc/47/93/47/420479347.db2.gz IGRZCAMFQXNMPB-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000417788194 420479349 /nfs/dbraw/zinc/47/93/49/420479349.db2.gz IGRZCAMFQXNMPB-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000452068828 420620617 /nfs/dbraw/zinc/62/06/17/420620617.db2.gz PCPCWBCBKNHKGC-DGCLKSJQSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457132383 420626100 /nfs/dbraw/zinc/62/61/00/420626100.db2.gz USURNMVGDSNVIK-GFCCVEGCSA-N 1 1 306.366 1.853 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492817801 420673988 /nfs/dbraw/zinc/67/39/88/420673988.db2.gz LLNQYFOMDZVNNI-ZDUSSCGKSA-N 1 1 323.393 1.492 20 5 DDBDMO CNc1nc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000454728458 420915935 /nfs/dbraw/zinc/91/59/35/420915935.db2.gz DOEWHNFFURFHCC-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000449764502 421077266 /nfs/dbraw/zinc/07/72/66/421077266.db2.gz BQXCRFBHWDGTSZ-PWSUYJOCSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000449764502 421077269 /nfs/dbraw/zinc/07/72/69/421077269.db2.gz BQXCRFBHWDGTSZ-PWSUYJOCSA-N 1 1 310.350 1.815 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489254879 421141908 /nfs/dbraw/zinc/14/19/08/421141908.db2.gz NQJAJOMLHFOROH-INIZCTEOSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489254879 421141912 /nfs/dbraw/zinc/14/19/12/421141912.db2.gz NQJAJOMLHFOROH-INIZCTEOSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000489254880 421142117 /nfs/dbraw/zinc/14/21/17/421142117.db2.gz NQJAJOMLHFOROH-MRXNPFEDSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000489254880 421142120 /nfs/dbraw/zinc/14/21/20/421142120.db2.gz NQJAJOMLHFOROH-MRXNPFEDSA-N 1 1 319.361 1.689 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+]1CCO ZINC000450612628 421217246 /nfs/dbraw/zinc/21/72/46/421217246.db2.gz KFLJYXPBXLZHQT-GFCCVEGCSA-N 1 1 311.386 1.378 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000549745029 421506936 /nfs/dbraw/zinc/50/69/36/421506936.db2.gz XXYQDBSIATWGPU-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000549745029 421506938 /nfs/dbraw/zinc/50/69/38/421506938.db2.gz XXYQDBSIATWGPU-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000534514070 421692111 /nfs/dbraw/zinc/69/21/11/421692111.db2.gz AGXLPAXBUDAQNE-CYBMUJFWSA-N 1 1 302.334 1.211 20 5 DDBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000534514070 421692114 /nfs/dbraw/zinc/69/21/14/421692114.db2.gz AGXLPAXBUDAQNE-CYBMUJFWSA-N 1 1 302.334 1.211 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571162312 421693015 /nfs/dbraw/zinc/69/30/15/421693015.db2.gz PYFBGFASRWGYQX-NFAWXSAZSA-N 1 1 322.361 1.445 20 5 DDBDMO CNc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000520371552 421748183 /nfs/dbraw/zinc/74/81/83/421748183.db2.gz XGPMTTOAUPVEFC-ZDUSSCGKSA-N 1 1 318.377 1.945 20 5 DDBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000590762141 422323309 /nfs/dbraw/zinc/32/33/09/422323309.db2.gz GIADTGMAVFCUBS-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000590762141 422323315 /nfs/dbraw/zinc/32/33/15/422323315.db2.gz GIADTGMAVFCUBS-BXKDBHETSA-N 1 1 304.306 1.600 20 5 DDBDMO CSCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342316404 271373617 /nfs/dbraw/zinc/37/36/17/271373617.db2.gz WKKWKYGIILQALP-JTQLQIEISA-N 1 1 317.436 1.956 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269459873 276040250 /nfs/dbraw/zinc/04/02/50/276040250.db2.gz HMPWLOGPXKTCJK-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000269459873 276040252 /nfs/dbraw/zinc/04/02/52/276040252.db2.gz HMPWLOGPXKTCJK-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000269459873 276040254 /nfs/dbraw/zinc/04/02/54/276040254.db2.gz HMPWLOGPXKTCJK-SNVBAGLBSA-N 1 1 309.370 1.608 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC000123884187 281179562 /nfs/dbraw/zinc/17/95/62/281179562.db2.gz WHKUGSHQZJVSAZ-OCAPTIKFSA-N 1 1 305.381 1.027 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000170808195 298222232 /nfs/dbraw/zinc/22/22/32/298222232.db2.gz ZWQSICPJOMLKJI-AWEZNQCLSA-N 1 1 321.377 1.744 20 5 DDBDMO O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295549 300246633 /nfs/dbraw/zinc/24/66/33/300246633.db2.gz HVUGFFZWCLUJPT-CABCVRRESA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000363295549 300246635 /nfs/dbraw/zinc/24/66/35/300246635.db2.gz HVUGFFZWCLUJPT-CABCVRRESA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000363295549 300246636 /nfs/dbraw/zinc/24/66/36/300246636.db2.gz HVUGFFZWCLUJPT-CABCVRRESA-N 1 1 309.410 1.766 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCOCC1 ZINC000363378561 300259889 /nfs/dbraw/zinc/25/98/89/300259889.db2.gz ABYSBKQFAZKFRV-UHFFFAOYSA-N 1 1 307.350 1.954 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692485 300297194 /nfs/dbraw/zinc/29/71/94/300297194.db2.gz MRNJLXFDICYABA-NXEZZACHSA-N 1 1 311.363 1.249 20 5 DDBDMO CCn1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364328014 300377182 /nfs/dbraw/zinc/37/71/82/300377182.db2.gz LKJRSKVGBCUHFG-ZDUSSCGKSA-N 1 1 304.354 1.845 20 5 DDBDMO CCn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364328014 300377184 /nfs/dbraw/zinc/37/71/84/300377184.db2.gz LKJRSKVGBCUHFG-ZDUSSCGKSA-N 1 1 304.354 1.845 20 5 DDBDMO Cc1noc(C2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000365576532 300537435 /nfs/dbraw/zinc/53/74/35/300537435.db2.gz GYKBNUXNRRALMF-CYBMUJFWSA-N 1 1 304.306 1.419 20 5 DDBDMO Cc1cc(N2CCC[N@@H+](CC(C)(C)O)CC2)ncc1[N+](=O)[O-] ZINC000368720716 301080801 /nfs/dbraw/zinc/08/08/01/301080801.db2.gz AJYNZTTUCZRSGP-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957647 301109947 /nfs/dbraw/zinc/10/99/47/301109947.db2.gz FAFWREAWUAHILJ-UGFHNGPFSA-N 1 1 319.361 1.559 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019333 301120186 /nfs/dbraw/zinc/12/01/86/301120186.db2.gz XLGWVRMUWQDWJT-ZIAGYGMSSA-N 1 1 323.397 1.149 20 5 DDBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000369996092 301254976 /nfs/dbraw/zinc/25/49/76/301254976.db2.gz LQJCOBRTKQXBAW-CYBMUJFWSA-N 1 1 319.369 1.164 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079651 302140503 /nfs/dbraw/zinc/14/05/03/302140503.db2.gz CVGROMQSKOONJR-BEAPCOKYSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000377079651 302140504 /nfs/dbraw/zinc/14/05/04/302140504.db2.gz CVGROMQSKOONJR-BEAPCOKYSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000377079651 302140505 /nfs/dbraw/zinc/14/05/05/302140505.db2.gz CVGROMQSKOONJR-BEAPCOKYSA-N 1 1 303.362 1.431 20 5 DDBDMO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000377688093 302212344 /nfs/dbraw/zinc/21/23/44/302212344.db2.gz IHMBXLLDENHMKW-XGUBFFRZSA-N 1 1 303.362 1.386 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000538714002 303390307 /nfs/dbraw/zinc/39/03/07/303390307.db2.gz GFVUDZNREXXXAJ-IAQYHMDHSA-N 1 1 318.377 1.803 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000562979038 303905429 /nfs/dbraw/zinc/90/54/29/303905429.db2.gz BHFOEECAPOTELQ-JTQLQIEISA-N 1 1 303.240 1.413 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254139 307015741 /nfs/dbraw/zinc/01/57/41/307015741.db2.gz BOCBYPWNTBCYJH-ZYHUDNBSSA-N 1 1 321.381 1.437 20 5 DDBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365274993 307063303 /nfs/dbraw/zinc/06/33/03/307063303.db2.gz NMFBHCGXFVJEDS-CYBMUJFWSA-N 1 1 317.349 1.648 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000366630829 307077942 /nfs/dbraw/zinc/07/79/42/307077942.db2.gz HLNCXLJEUMTGJN-HNNXBMFYSA-N 1 1 308.334 1.988 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000367253623 307089854 /nfs/dbraw/zinc/08/98/54/307089854.db2.gz SQYSIDXJDYWSPB-YMTOWFKASA-N 1 1 322.340 1.482 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370887021 307139036 /nfs/dbraw/zinc/13/90/36/307139036.db2.gz SFTIZXPHFQAKTE-LLVKDONJSA-N 1 1 321.381 1.581 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370887021 307139037 /nfs/dbraw/zinc/13/90/37/307139037.db2.gz SFTIZXPHFQAKTE-LLVKDONJSA-N 1 1 321.381 1.581 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370887021 307139038 /nfs/dbraw/zinc/13/90/38/307139038.db2.gz SFTIZXPHFQAKTE-LLVKDONJSA-N 1 1 321.381 1.581 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370886711 307139095 /nfs/dbraw/zinc/13/90/95/307139095.db2.gz QKRPFBLTDWWPQJ-SNVBAGLBSA-N 1 1 307.354 1.191 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370886711 307139096 /nfs/dbraw/zinc/13/90/96/307139096.db2.gz QKRPFBLTDWWPQJ-SNVBAGLBSA-N 1 1 307.354 1.191 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000370886711 307139097 /nfs/dbraw/zinc/13/90/97/307139097.db2.gz QKRPFBLTDWWPQJ-SNVBAGLBSA-N 1 1 307.354 1.191 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373938683 307198206 /nfs/dbraw/zinc/19/82/06/307198206.db2.gz OGZYIQHHQBBERN-STQMWFEESA-N 1 1 319.361 1.717 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000373972939 307198857 /nfs/dbraw/zinc/19/88/57/307198857.db2.gz KXMQDAHWEVVUBZ-JYJNAYRXSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373972939 307198858 /nfs/dbraw/zinc/19/88/58/307198858.db2.gz KXMQDAHWEVVUBZ-JYJNAYRXSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000373972939 307198859 /nfs/dbraw/zinc/19/88/59/307198859.db2.gz KXMQDAHWEVVUBZ-JYJNAYRXSA-N 1 1 317.389 1.332 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000378474491 307288737 /nfs/dbraw/zinc/28/87/37/307288737.db2.gz RBEOYIPRHRRNOW-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425059416 307301807 /nfs/dbraw/zinc/30/18/07/307301807.db2.gz RPFRZOKBAZAKMR-IINYFYTJSA-N 1 1 307.325 1.900 20 5 DDBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000496535491 307349070 /nfs/dbraw/zinc/34/90/70/307349070.db2.gz RQGCYNCKCDOOLW-CYBMUJFWSA-N 1 1 305.334 1.869 20 5 DDBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000573705984 308249651 /nfs/dbraw/zinc/24/96/51/308249651.db2.gz KWTPKWXLRUFQKN-LLVKDONJSA-N 1 1 322.365 1.642 20 5 DDBDMO COc1cc(-c2nc(C[NH3+])no2)c([N+](=O)[O-])cc1OC(F)F ZINC000582180934 325985184 /nfs/dbraw/zinc/98/51/84/325985184.db2.gz XLEACMHXEGFUDN-UHFFFAOYSA-N 1 1 316.220 1.714 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488807092 484220194 /nfs/dbraw/zinc/22/01/94/484220194.db2.gz OFNZCSBCJPLCLI-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488807092 484220200 /nfs/dbraw/zinc/22/02/00/484220200.db2.gz OFNZCSBCJPLCLI-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875514 490372037 /nfs/dbraw/zinc/37/20/37/490372037.db2.gz QIPYMBLZMCVMNE-NHYWBVRUSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875514 490372042 /nfs/dbraw/zinc/37/20/42/490372042.db2.gz QIPYMBLZMCVMNE-NHYWBVRUSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875162 490372560 /nfs/dbraw/zinc/37/25/60/490372560.db2.gz PWFBSUPWRHBQGQ-IOASZLSFSA-N 1 1 324.377 1.285 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330923166 534103772 /nfs/dbraw/zinc/10/37/72/534103772.db2.gz SGBLICMNESKOFL-STQMWFEESA-N 1 1 320.393 1.630 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451893740 534321697 /nfs/dbraw/zinc/32/16/97/534321697.db2.gz CEORIJNSUGDCLN-OAHLLOKOSA-N 1 1 307.350 1.259 20 5 DDBDMO Cc1nc(NC2CC[NH+](CCN(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296651355 534486339 /nfs/dbraw/zinc/48/63/39/534486339.db2.gz XKFYBTBCUTYAKT-UHFFFAOYSA-N 1 1 308.386 1.131 20 5 DDBDMO CNC(=O)c1ccc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820892 521850688 /nfs/dbraw/zinc/85/06/88/521850688.db2.gz VFVWBQRLPQETAJ-QMTHXVAHSA-N 1 1 322.365 1.085 20 5 DDBDMO CNC(=O)c1ccc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000154820892 521850697 /nfs/dbraw/zinc/85/06/97/521850697.db2.gz VFVWBQRLPQETAJ-QMTHXVAHSA-N 1 1 322.365 1.085 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000101955417 696609438 /nfs/dbraw/zinc/60/94/38/696609438.db2.gz QASXBBNQRLAQDU-UHFFFAOYSA-N 1 1 324.337 1.881 20 5 DDBDMO C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000748128314 700101103 /nfs/dbraw/zinc/10/11/03/700101103.db2.gz DDXBBURXMYFOCY-GRYCIOLGSA-N 1 1 310.354 1.596 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000748349643 700112436 /nfs/dbraw/zinc/11/24/36/700112436.db2.gz CJAOMKDADXXHOG-NSHDSACASA-N 1 1 323.349 1.145 20 5 DDBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000748349643 700112438 /nfs/dbraw/zinc/11/24/38/700112438.db2.gz CJAOMKDADXXHOG-NSHDSACASA-N 1 1 323.349 1.145 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@@H+]1C ZINC000748345185 700111236 /nfs/dbraw/zinc/11/12/36/700111236.db2.gz KYAVWBOMQFXHPK-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[N@H+]1C ZINC000748345185 700111238 /nfs/dbraw/zinc/11/12/38/700111238.db2.gz KYAVWBOMQFXHPK-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000155591639 696950463 /nfs/dbraw/zinc/95/04/63/696950463.db2.gz DIFXFPSRAUGFEX-NXEZZACHSA-N 1 1 322.321 1.668 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653395 697286733 /nfs/dbraw/zinc/28/67/33/697286733.db2.gz JBKVEAUQFBCPGF-KBUPBQIOSA-N 1 1 303.362 1.336 20 5 DDBDMO Cc1nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000164764615 697337247 /nfs/dbraw/zinc/33/72/47/697337247.db2.gz MZAGRNWYCZOTBP-ZIAGYGMSSA-N 1 1 307.398 1.782 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000800860976 700250276 /nfs/dbraw/zinc/25/02/76/700250276.db2.gz ZQMUQDIUVBNNEN-LBPRGKRZSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000800860976 700250278 /nfs/dbraw/zinc/25/02/78/700250278.db2.gz ZQMUQDIUVBNNEN-LBPRGKRZSA-N 1 1 304.354 1.670 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC(=O)C1 ZINC000726791703 699380795 /nfs/dbraw/zinc/38/07/95/699380795.db2.gz GYLIYTNUCDHHFK-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC(=O)C1 ZINC000726791703 699380797 /nfs/dbraw/zinc/38/07/97/699380797.db2.gz GYLIYTNUCDHHFK-UHFFFAOYSA-N 1 1 320.349 1.054 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000791051367 699608942 /nfs/dbraw/zinc/60/89/42/699608942.db2.gz BRDSXRDAQYMNHO-SNVBAGLBSA-N 1 1 322.283 1.654 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000791051367 699608944 /nfs/dbraw/zinc/60/89/44/699608944.db2.gz BRDSXRDAQYMNHO-SNVBAGLBSA-N 1 1 322.283 1.654 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2nc3ccccn3c2[N+](=O)[O-])n1C ZINC000733896058 699622674 /nfs/dbraw/zinc/62/26/74/699622674.db2.gz ZKUBQYFMNITOPW-UHFFFAOYSA-N 1 1 315.337 1.654 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000794703009 699825358 /nfs/dbraw/zinc/82/53/58/699825358.db2.gz HALLPESKZSNYEL-CQSZACIVSA-N 1 1 303.322 1.099 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794990520 699840811 /nfs/dbraw/zinc/84/08/11/699840811.db2.gz GCARJBNSZUSZRI-WDNDVIMCSA-N 1 1 306.318 1.324 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801857541 700347373 /nfs/dbraw/zinc/34/73/73/700347373.db2.gz FIPXPVRLJVALTE-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000754222771 700490044 /nfs/dbraw/zinc/49/00/44/700490044.db2.gz DBFAIKMZGNGWIH-LLVKDONJSA-N 1 1 306.366 1.652 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000754222771 700490045 /nfs/dbraw/zinc/49/00/45/700490045.db2.gz DBFAIKMZGNGWIH-LLVKDONJSA-N 1 1 306.366 1.652 20 5 DDBDMO O=C(CCc1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCOCC1 ZINC000756530647 700626024 /nfs/dbraw/zinc/62/60/24/700626024.db2.gz YDUMSHPLMUGHKQ-UHFFFAOYSA-N 1 1 322.361 1.793 20 5 DDBDMO COC(C)(C)C[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000758411786 700704647 /nfs/dbraw/zinc/70/46/47/700704647.db2.gz IDWAOHZPWOSEFG-UHFFFAOYSA-N 1 1 321.175 1.868 20 5 DDBDMO COC(C)(C)C[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000758411786 700704648 /nfs/dbraw/zinc/70/46/48/700704648.db2.gz IDWAOHZPWOSEFG-UHFFFAOYSA-N 1 1 321.175 1.868 20 5 DDBDMO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000761078332 700841010 /nfs/dbraw/zinc/84/10/10/700841010.db2.gz BOPKJHNCSHYIBW-IUODEOHRSA-N 1 1 318.377 1.336 20 5 DDBDMO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000761078332 700841013 /nfs/dbraw/zinc/84/10/13/700841013.db2.gz BOPKJHNCSHYIBW-IUODEOHRSA-N 1 1 318.377 1.336 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000771200808 701313040 /nfs/dbraw/zinc/31/30/40/701313040.db2.gz UAFKABBJIQVMAR-SNVBAGLBSA-N 1 1 313.329 1.875 20 5 DDBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839517029 701721471 /nfs/dbraw/zinc/72/14/71/701721471.db2.gz LYZKGOGAUXKYRL-HUUCEWRRSA-N 1 1 303.362 1.216 20 5 DDBDMO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839517029 701721474 /nfs/dbraw/zinc/72/14/74/701721474.db2.gz LYZKGOGAUXKYRL-HUUCEWRRSA-N 1 1 303.362 1.216 20 5 DDBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839517029 701721480 /nfs/dbraw/zinc/72/14/80/701721480.db2.gz LYZKGOGAUXKYRL-HUUCEWRRSA-N 1 1 303.362 1.216 20 5 DDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839568213 701739101 /nfs/dbraw/zinc/73/91/01/701739101.db2.gz OBYUGTCXURKAEV-NMFUWQPSSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568213 701739106 /nfs/dbraw/zinc/73/91/06/701739106.db2.gz OBYUGTCXURKAEV-NMFUWQPSSA-N 1 1 303.362 1.603 20 5 DDBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839568213 701739111 /nfs/dbraw/zinc/73/91/11/701739111.db2.gz OBYUGTCXURKAEV-NMFUWQPSSA-N 1 1 303.362 1.603 20 5 DDBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000839660905 701769848 /nfs/dbraw/zinc/76/98/48/701769848.db2.gz ZLENMCAUWWDJEH-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660905 701769852 /nfs/dbraw/zinc/76/98/52/701769852.db2.gz ZLENMCAUWWDJEH-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000839660905 701769856 /nfs/dbraw/zinc/76/98/56/701769856.db2.gz ZLENMCAUWWDJEH-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660905 701769859 /nfs/dbraw/zinc/76/98/59/701769859.db2.gz ZLENMCAUWWDJEH-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000839660905 701769862 /nfs/dbraw/zinc/76/98/62/701769862.db2.gz ZLENMCAUWWDJEH-OCCSQVGLSA-N 1 1 317.349 1.544 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@](C)(CO)C1 ZINC000879261387 706633130 /nfs/dbraw/zinc/63/31/30/706633130.db2.gz JMGVNWZFIXPNRL-SOUVJXGZSA-N 1 1 310.350 1.100 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840963998 702294664 /nfs/dbraw/zinc/29/46/64/702294664.db2.gz FHKCAGAZJWQYQK-UHFFFAOYSA-N 1 1 318.782 1.915 20 5 DDBDMO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000842623178 702744435 /nfs/dbraw/zinc/74/44/35/702744435.db2.gz KMIDMSMANKTPJU-HNNXBMFYSA-N 1 1 302.334 1.515 20 5 DDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000842623178 702744437 /nfs/dbraw/zinc/74/44/37/702744437.db2.gz KMIDMSMANKTPJU-HNNXBMFYSA-N 1 1 302.334 1.515 20 5 DDBDMO C[C@@H]1[C@H](COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000845813596 703205311 /nfs/dbraw/zinc/20/53/11/703205311.db2.gz FDJWZSVNXOTQFE-ZJUUUORDSA-N 1 1 322.317 1.821 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000852495721 704062166 /nfs/dbraw/zinc/06/21/66/704062166.db2.gz MTMYJOHZMGXXQE-VHDGCEQUSA-N 1 1 319.361 1.229 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871149380 704230563 /nfs/dbraw/zinc/23/05/63/704230563.db2.gz FHJTUMFTDHHJTA-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587163 704276764 /nfs/dbraw/zinc/27/67/64/704276764.db2.gz FZHUKHOJHPWXHH-NEPJUHHUSA-N 1 1 317.349 1.574 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@@H+](C)C1 ZINC000855360483 704480773 /nfs/dbraw/zinc/48/07/73/704480773.db2.gz LYIQVGCUCRLZCY-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834284 705191547 /nfs/dbraw/zinc/19/15/47/705191547.db2.gz QUSLQUKNTWVUOJ-MNOVXSKESA-N 1 1 306.322 1.004 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827269759 705965014 /nfs/dbraw/zinc/96/50/14/705965014.db2.gz ZUSKEJGTJNQOAH-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000828249364 706146390 /nfs/dbraw/zinc/14/63/90/706146390.db2.gz ZZZUWWDCXBVOAY-UHIISALHSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000828249364 706146394 /nfs/dbraw/zinc/14/63/94/706146394.db2.gz ZZZUWWDCXBVOAY-UHIISALHSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829572829 706358717 /nfs/dbraw/zinc/35/87/17/706358717.db2.gz ZLEONQWLJQGVDS-SNVBAGLBSA-N 1 1 310.310 1.006 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829572829 706358719 /nfs/dbraw/zinc/35/87/19/706358719.db2.gz ZLEONQWLJQGVDS-SNVBAGLBSA-N 1 1 310.310 1.006 20 5 DDBDMO O=C1NCCCC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865459688 706437329 /nfs/dbraw/zinc/43/73/29/706437329.db2.gz JJGKXMRYFOZZMP-CQSZACIVSA-N 1 1 300.318 1.646 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430911 706973117 /nfs/dbraw/zinc/97/31/17/706973117.db2.gz XJLQPXNPKBBGEA-KBPBESRZSA-N 1 1 323.349 1.269 20 5 DDBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880430911 706973120 /nfs/dbraw/zinc/97/31/20/706973120.db2.gz XJLQPXNPKBBGEA-KBPBESRZSA-N 1 1 323.349 1.269 20 5 DDBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1[nH+]ccn1CC(F)F ZINC000871661478 707158410 /nfs/dbraw/zinc/15/84/10/707158410.db2.gz PUJYPXPOSLPOTI-UHFFFAOYSA-N 1 1 318.667 1.920 20 5 DDBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(Cl)c1 ZINC000872757710 707587141 /nfs/dbraw/zinc/58/71/41/707587141.db2.gz GFBWMBQUWJNOAW-NWDGAFQWSA-N 1 1 311.769 1.894 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000872781604 707597622 /nfs/dbraw/zinc/59/76/22/707597622.db2.gz VZKYNHHMICEPEL-CHWSQXEVSA-N 1 1 318.377 1.627 20 5 DDBDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882489550 707660678 /nfs/dbraw/zinc/66/06/78/707660678.db2.gz DBEQHIJKPLAMSB-LBPRGKRZSA-N 1 1 313.304 1.897 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882489550 707660682 /nfs/dbraw/zinc/66/06/82/707660682.db2.gz DBEQHIJKPLAMSB-LBPRGKRZSA-N 1 1 313.304 1.897 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000882490316 707661682 /nfs/dbraw/zinc/66/16/82/707661682.db2.gz MQSYWVSMDNSSRF-NSHDSACASA-N 1 1 314.345 1.967 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@]2(C)C1 ZINC000896913202 708181136 /nfs/dbraw/zinc/18/11/36/708181136.db2.gz OETNMDPWRYOBNO-BMIGLBTASA-N 1 1 301.350 1.859 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886561816 708777730 /nfs/dbraw/zinc/77/77/30/708777730.db2.gz JWGGMWPZLXMPOI-PHIMTYICSA-N 1 1 307.375 1.828 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000886561816 708777731 /nfs/dbraw/zinc/77/77/31/708777731.db2.gz JWGGMWPZLXMPOI-PHIMTYICSA-N 1 1 307.375 1.828 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886577974 708780274 /nfs/dbraw/zinc/78/02/74/708780274.db2.gz DXYADTZBPRABOV-AZHAFVHUSA-N 1 1 319.361 1.625 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC000886690626 708814925 /nfs/dbraw/zinc/81/49/25/708814925.db2.gz ZCZLNZFXNWVCCP-NSHDSACASA-N 1 1 302.338 1.498 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC000886690626 708814929 /nfs/dbraw/zinc/81/49/29/708814929.db2.gz ZCZLNZFXNWVCCP-NSHDSACASA-N 1 1 302.338 1.498 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910288546 709869112 /nfs/dbraw/zinc/86/91/12/709869112.db2.gz WUEOVJAKWNMZIH-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928459941 713206211 /nfs/dbraw/zinc/20/62/11/713206211.db2.gz YJMPGQZVGIOOKA-STQMWFEESA-N 1 1 321.377 1.881 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928559605 713226643 /nfs/dbraw/zinc/22/66/43/713226643.db2.gz ZYDDPLYNRUCVLR-LBPRGKRZSA-N 1 1 302.334 1.439 20 5 DDBDMO Cc1c(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000894395713 711101957 /nfs/dbraw/zinc/10/19/57/711101957.db2.gz HWUFSQNSRMBVCR-OKILXGFUSA-N 1 1 318.377 1.606 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCCCO)CC2)c(F)c1 ZINC000894965996 711342370 /nfs/dbraw/zinc/34/23/70/711342370.db2.gz KBBGUQCVORLXPE-UHFFFAOYSA-N 1 1 312.345 1.414 20 5 DDBDMO COC(=O)Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738495 711591375 /nfs/dbraw/zinc/59/13/75/711591375.db2.gz WTPHQFJXUIMQHK-JQWIXIFHSA-N 1 1 307.350 1.815 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000896524202 711738256 /nfs/dbraw/zinc/73/82/56/711738256.db2.gz WDBLAOPBOQATSP-CYBMUJFWSA-N 1 1 306.366 1.963 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(F)c1 ZINC000896525751 711738628 /nfs/dbraw/zinc/73/86/28/711738628.db2.gz OITVKBQLKOXQKD-NSHDSACASA-N 1 1 310.329 1.794 20 5 DDBDMO C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807203 713303491 /nfs/dbraw/zinc/30/34/91/713303491.db2.gz XTCOLYBPDLLWJQ-UEKVPHQBSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000913807203 713303493 /nfs/dbraw/zinc/30/34/93/713303493.db2.gz XTCOLYBPDLLWJQ-UEKVPHQBSA-N 1 1 307.350 1.227 20 5 DDBDMO C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000908512385 712793331 /nfs/dbraw/zinc/79/33/31/712793331.db2.gz LBZJLXMFZLQIGH-PSOPSSQASA-N 1 1 307.350 1.227 20 5 DDBDMO COC1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000931640970 714146822 /nfs/dbraw/zinc/14/68/22/714146822.db2.gz UBUBFYYPTRPYKJ-CQSZACIVSA-N 1 1 310.350 1.459 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932007806 714232754 /nfs/dbraw/zinc/23/27/54/714232754.db2.gz KDPLKWUHWJBEPQ-LBPRGKRZSA-N 1 1 308.334 1.668 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000923299361 714302234 /nfs/dbraw/zinc/30/22/34/714302234.db2.gz UDJLGXKWUPVSDP-WDEREUQCSA-N 1 1 322.340 1.625 20 5 DDBDMO CC(C)(C)c1cc2n(n1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000932614909 714367736 /nfs/dbraw/zinc/36/77/36/714367736.db2.gz QQAXJZWCBSPKSX-UHFFFAOYSA-N 1 1 318.381 1.801 20 5 DDBDMO CC(C)(C)c1cc2n(n1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000932614909 714367738 /nfs/dbraw/zinc/36/77/38/714367738.db2.gz QQAXJZWCBSPKSX-UHFFFAOYSA-N 1 1 318.381 1.801 20 5 DDBDMO CC(C)(C)[C@H]1CNC(=O)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933825197 714676675 /nfs/dbraw/zinc/67/66/75/714676675.db2.gz CSFVQFQVUIULKZ-CQSZACIVSA-N 1 1 305.378 1.984 20 5 DDBDMO CC(C)(C)[C@H]1CNC(=O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000933825197 714676677 /nfs/dbraw/zinc/67/66/77/714676677.db2.gz CSFVQFQVUIULKZ-CQSZACIVSA-N 1 1 305.378 1.984 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934258282 714777753 /nfs/dbraw/zinc/77/77/53/714777753.db2.gz CMKGNSJLIGXJAX-CVEARBPZSA-N 1 1 323.368 1.765 20 5 DDBDMO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001022063877 734368226 /nfs/dbraw/zinc/36/82/26/734368226.db2.gz NOQNJUGZKMDIQQ-LSCVPOLPSA-N 1 1 324.406 1.162 20 5 DDBDMO O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002782104 743423653 /nfs/dbraw/zinc/42/36/53/743423653.db2.gz HJHOKSJKKSQXLB-HUUCEWRRSA-N 1 1 307.394 1.733 20 5 DDBDMO O=c1cc([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]c(=O)[nH]1 ZINC001195694450 746680668 /nfs/dbraw/zinc/68/06/68/746680668.db2.gz MTYNGVDQMXJPRB-SECBINFHSA-N 1 1 322.346 1.847 20 5 DDBDMO O=c1cc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]c(=O)[nH]1 ZINC001195694450 746680669 /nfs/dbraw/zinc/68/06/69/746680669.db2.gz MTYNGVDQMXJPRB-SECBINFHSA-N 1 1 322.346 1.847 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccon1 ZINC001031561229 747039648 /nfs/dbraw/zinc/03/96/48/747039648.db2.gz CYBIPLOSYVMGJG-UHFFFAOYSA-N 1 1 316.317 1.445 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644062 750626130 /nfs/dbraw/zinc/62/61/30/750626130.db2.gz BGIIRCSOFFGYNC-FPQZTECRSA-N 1 1 324.406 1.325 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1cnc(C[NH3+])n1 ZINC001168756775 750746417 /nfs/dbraw/zinc/74/64/17/750746417.db2.gz RALYGECCBMFHGF-UHFFFAOYSA-N 1 1 311.685 1.074 20 5 DDBDMO CCOC[C@H]1Cn2nccc2C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169025784 762203486 /nfs/dbraw/zinc/20/34/86/762203486.db2.gz UWQQZUWGWUMIDE-ZNMIVQPWSA-N 1 1 322.409 1.797 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001097190241 756977603 /nfs/dbraw/zinc/97/76/03/756977603.db2.gz NAHWEXPHIFLHOD-TXEJJXNPSA-N 1 1 321.381 1.389 20 5 DDBDMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC001100386441 776082259 /nfs/dbraw/zinc/08/22/59/776082259.db2.gz AVFVNNIUDNREAX-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001101657888 777354809 /nfs/dbraw/zinc/35/48/09/777354809.db2.gz WLTYPQSRFRIJNW-UHFFFAOYSA-N 1 1 323.397 1.509 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001101756864 777479775 /nfs/dbraw/zinc/47/97/75/777479775.db2.gz PWRONXSVZMHOCQ-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267187961 837498595 /nfs/dbraw/zinc/49/85/95/837498595.db2.gz HUUYGCNXMBFBJB-UHFFFAOYSA-N 1 1 320.374 1.913 20 5 DDBDMO C[N@H+](CCNC(=O)Cn1cccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266254947 835992882 /nfs/dbraw/zinc/99/28/82/835992882.db2.gz ARGPPRXHLCEDIW-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO C[N@@H+](CCNC(=O)Cn1cccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266254947 835992886 /nfs/dbraw/zinc/99/28/86/835992886.db2.gz ARGPPRXHLCEDIW-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001326394348 861328860 /nfs/dbraw/zinc/32/88/60/861328860.db2.gz OBMWYYIXQOYYFC-CQSZACIVSA-N 1 1 319.409 1.514 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NC[C@H]2CCC(=O)N2)ncc1[N+](=O)[O-] ZINC001156151710 862755278 /nfs/dbraw/zinc/75/52/78/862755278.db2.gz ROJYWZVDODRBLA-MVIFTORASA-N 1 1 305.338 1.213 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001072725290 857642435 /nfs/dbraw/zinc/64/24/35/857642435.db2.gz LMXWDCIEBVRCJJ-HUUCEWRRSA-N 1 1 315.373 1.386 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC001072725290 857642441 /nfs/dbraw/zinc/64/24/41/857642441.db2.gz LMXWDCIEBVRCJJ-HUUCEWRRSA-N 1 1 315.373 1.386 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001072725290 857642445 /nfs/dbraw/zinc/64/24/45/857642445.db2.gz LMXWDCIEBVRCJJ-HUUCEWRRSA-N 1 1 315.373 1.386 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001123003172 859049493 /nfs/dbraw/zinc/04/94/93/859049493.db2.gz RHLDJEYWVMVRDE-RYUDHWBXSA-N 1 1 308.338 1.270 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)OC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001123376780 859202652 /nfs/dbraw/zinc/20/26/52/859202652.db2.gz UWFSHAITWDVGNE-ZDUSSCGKSA-N 1 1 322.365 1.599 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc(Cl)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761390 864111207 /nfs/dbraw/zinc/11/12/07/864111207.db2.gz QKUDTWIYBBUFTA-NXEZZACHSA-N 1 1 317.798 1.663 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001330570311 864458713 /nfs/dbraw/zinc/45/87/13/864458713.db2.gz AESZOOKKNROUAC-OSAQELSMSA-N 1 1 321.377 1.569 20 5 DDBDMO COc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001225436623 881832734 /nfs/dbraw/zinc/83/27/34/881832734.db2.gz XBQHPSRJVMFSDL-RJIBLYRGSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1cc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)ccc1[N+](=O)[O-] ZINC001225436623 881832750 /nfs/dbraw/zinc/83/27/50/881832750.db2.gz XBQHPSRJVMFSDL-RJIBLYRGSA-N 1 1 306.318 1.786 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001159788837 865524396 /nfs/dbraw/zinc/52/43/96/865524396.db2.gz NFXLGNVGHWFWIO-SNVBAGLBSA-N 1 1 310.745 1.627 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001323610529 866720248 /nfs/dbraw/zinc/72/02/48/866720248.db2.gz RJAFUHDNSAVRME-UHFFFAOYSA-N 1 1 324.429 1.558 20 5 DDBDMO C[N@@H+]1CCC[C@@](C)(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162338205 867468958 /nfs/dbraw/zinc/46/89/58/867468958.db2.gz YRTMQLZCZVDNLP-GFCCVEGCSA-N 1 1 300.746 1.778 20 5 DDBDMO C[N@H+]1CCC[C@@](C)(Nc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C1 ZINC001162338205 867468970 /nfs/dbraw/zinc/46/89/70/867468970.db2.gz YRTMQLZCZVDNLP-GFCCVEGCSA-N 1 1 300.746 1.778 20 5 DDBDMO O=[N+]([O-])c1cc[n+]([O-])c(NCC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001162808109 867841092 /nfs/dbraw/zinc/84/10/92/867841092.db2.gz LUGWAIQRSLNKAY-SECBINFHSA-N 1 1 302.281 1.275 20 5 DDBDMO C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335351187 868242064 /nfs/dbraw/zinc/24/20/64/868242064.db2.gz OWJOPHGVQKASJG-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO CN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335351187 868242079 /nfs/dbraw/zinc/24/20/79/868242079.db2.gz OWJOPHGVQKASJG-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC001298101786 870279797 /nfs/dbraw/zinc/27/97/97/870279797.db2.gz AJJNPSZBJPPSEO-INIZCTEOSA-N 1 1 318.377 1.856 20 5 DDBDMO C[NH+]1CCN(c2cc(Nc3ccc([N+](=O)[O-])nc3)ncn2)CC1 ZINC001203567058 870646738 /nfs/dbraw/zinc/64/67/38/870646738.db2.gz VWPKWKIJZCYMOU-UHFFFAOYSA-N 1 1 315.337 1.275 20 5 DDBDMO COc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815423 870712357 /nfs/dbraw/zinc/71/23/57/870712357.db2.gz MPDPUAWHOPFNBN-SMDDNHRTSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339815423 870712370 /nfs/dbraw/zinc/71/23/70/870712370.db2.gz MPDPUAWHOPFNBN-SMDDNHRTSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339815423 870712378 /nfs/dbraw/zinc/71/23/78/870712378.db2.gz MPDPUAWHOPFNBN-SMDDNHRTSA-N 1 1 308.382 1.650 20 5 DDBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001340112926 870899327 /nfs/dbraw/zinc/89/93/27/870899327.db2.gz IJJKCDFFKUBWGX-LBPRGKRZSA-N 1 1 322.413 1.385 20 5 DDBDMO CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317584655 871142210 /nfs/dbraw/zinc/14/22/10/871142210.db2.gz FKJCBFGCGOXHFZ-ZIAGYGMSSA-N 1 1 309.410 1.670 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001347505016 874165470 /nfs/dbraw/zinc/16/54/70/874165470.db2.gz UOOJJDVBKDPNPE-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891817 874300793 /nfs/dbraw/zinc/30/07/93/874300793.db2.gz VNQDRCAGKMQEMJ-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc([N+](=O)[O-])c1 ZINC001347891817 874300808 /nfs/dbraw/zinc/30/08/08/874300808.db2.gz VNQDRCAGKMQEMJ-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001348145019 874378764 /nfs/dbraw/zinc/37/87/64/874378764.db2.gz JLMLDVBFJILHMN-VXGBXAGGSA-N 1 1 322.413 1.556 20 5 DDBDMO O=[N+]([O-])c1cnc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227111410 882841208 /nfs/dbraw/zinc/84/12/08/882841208.db2.gz LGMBXRSGJSCRRT-SECBINFHSA-N 1 1 305.250 1.488 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1COC[C@H]1C[N@H+](C)CCO1 ZINC001222777090 880693216 /nfs/dbraw/zinc/69/32/16/880693216.db2.gz GHQHYWLFUSSXOR-LLVKDONJSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1cccc([N+](=O)[O-])c1COC[C@H]1C[N@@H+](C)CCO1 ZINC001222777090 880693231 /nfs/dbraw/zinc/69/32/31/880693231.db2.gz GHQHYWLFUSSXOR-LLVKDONJSA-N 1 1 324.333 1.229 20 5 DDBDMO COc1ccc(CO[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001223651403 881042309 /nfs/dbraw/zinc/04/23/09/881042309.db2.gz WXZNVYDRWRTFNU-GFCCVEGCSA-N 1 1 310.350 1.841 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](C(C)C)C2)cc1O ZINC001228814219 883685285 /nfs/dbraw/zinc/68/52/85/883685285.db2.gz KOGYCMLJDQMTNY-SNVBAGLBSA-N 1 1 324.333 1.949 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](C(C)C)C2)cc1O ZINC001228814219 883685289 /nfs/dbraw/zinc/68/52/89/883685289.db2.gz KOGYCMLJDQMTNY-SNVBAGLBSA-N 1 1 324.333 1.949 20 5 DDBDMO CC[N@H+]1CCC[C@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234911804 888246181 /nfs/dbraw/zinc/24/61/81/888246181.db2.gz QSDWWKMDKFECKM-NSHDSACASA-N 1 1 323.353 1.515 20 5 DDBDMO N[C@H](Cc1[nH]cc[nH+]1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247347709 893170532 /nfs/dbraw/zinc/17/05/32/893170532.db2.gz VIQSLHYKULFQOH-SSDOTTSWSA-N 1 1 319.256 1.145 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001254563643 896502952 /nfs/dbraw/zinc/50/29/52/896502952.db2.gz ABAOWLRLQWYDOQ-WFASDCNBSA-N 1 1 322.361 1.790 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@](O)(CF)[C@@H](F)C1)C2 ZINC001254595707 896521124 /nfs/dbraw/zinc/52/11/24/896521124.db2.gz YNCRIFUJDKGFDZ-KKUMJFAQSA-N 1 1 312.316 1.806 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@](O)(CF)[C@@H](F)C1)C2 ZINC001254595707 896521138 /nfs/dbraw/zinc/52/11/38/896521138.db2.gz YNCRIFUJDKGFDZ-KKUMJFAQSA-N 1 1 312.316 1.806 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCN3CCOC[C@@H]3C1)C2 ZINC001254593127 896521935 /nfs/dbraw/zinc/52/19/35/896521935.db2.gz ISWKNAHUSOXPGB-CVEARBPZSA-N 1 1 303.362 1.078 20 5 DDBDMO O=C1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]2CCCN12 ZINC001254605307 896526880 /nfs/dbraw/zinc/52/68/80/896526880.db2.gz BDLKYZGGFSAPOD-HOTGVXAUSA-N 1 1 315.373 1.759 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@]2(C)C1 ZINC001262346304 900128475 /nfs/dbraw/zinc/12/84/75/900128475.db2.gz PNZFAPBHZZSRGW-PSLIRLAXSA-N 1 1 322.340 1.340 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC001262360008 900130536 /nfs/dbraw/zinc/13/05/36/900130536.db2.gz RUHMTQZEZYHNKK-TXEJJXNPSA-N 1 1 311.386 1.630 20 5 DDBDMO C[N@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985076 901393641 /nfs/dbraw/zinc/39/36/41/901393641.db2.gz LUJKBWIHTWSMBL-IBBQAADRSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985076 901393651 /nfs/dbraw/zinc/39/36/51/901393651.db2.gz LUJKBWIHTWSMBL-IBBQAADRSA-N 1 1 317.389 1.803 20 5 DDBDMO C[N@H+](C/C=C/c1ccccc1)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985076 901393659 /nfs/dbraw/zinc/39/36/59/901393659.db2.gz LUJKBWIHTWSMBL-IBBQAADRSA-N 1 1 317.389 1.803 20 5 DDBDMO COc1ccc(OCCN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451626498 231143207 /nfs/dbraw/zinc/14/32/07/231143207.db2.gz FFXHXUFIWAMVEY-SWLSCSKDSA-N 1 1 321.377 1.618 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451661264 231155733 /nfs/dbraw/zinc/15/57/33/231155733.db2.gz HZGYZMDHFIRFTE-BETUJISGSA-N 1 1 323.393 1.490 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452347630 231355391 /nfs/dbraw/zinc/35/53/91/231355391.db2.gz JEQHZWIZBCMJOL-CQSZACIVSA-N 1 1 321.377 1.480 20 5 DDBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000358133231 299085181 /nfs/dbraw/zinc/08/51/81/299085181.db2.gz PZYMWISOBPTRID-LLVKDONJSA-N 1 1 311.386 1.371 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458180748 232268252 /nfs/dbraw/zinc/26/82/52/232268252.db2.gz ZAOAVZBBGVOJHH-GFCCVEGCSA-N 1 1 306.366 1.760 20 5 DDBDMO CON1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000459594187 233353151 /nfs/dbraw/zinc/35/31/51/233353151.db2.gz XPEHBVPKSPZJDX-UHFFFAOYSA-N 1 1 309.366 1.931 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000057554924 352820240 /nfs/dbraw/zinc/82/02/40/352820240.db2.gz SHQJJIGJHCWEKY-SNVBAGLBSA-N 1 1 305.334 1.570 20 5 DDBDMO COC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376137 353046312 /nfs/dbraw/zinc/04/63/12/353046312.db2.gz CZZIAJKDQQDQED-HNNXBMFYSA-N 1 1 319.361 1.811 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241754 198310260 /nfs/dbraw/zinc/31/02/60/198310260.db2.gz XKEDJNYAXJJLRC-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000108301062 353949006 /nfs/dbraw/zinc/94/90/06/353949006.db2.gz LPPIONYTSIAXAD-LBPRGKRZSA-N 1 1 319.361 1.818 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCCO)CC1 ZINC000154892600 354209463 /nfs/dbraw/zinc/20/94/63/354209463.db2.gz ARHNSNXZGFJNHB-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000156796135 354221818 /nfs/dbraw/zinc/22/18/18/354221818.db2.gz UBEZHSDJULELLZ-IUODEOHRSA-N 1 1 321.377 1.363 20 5 DDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156796135 354221819 /nfs/dbraw/zinc/22/18/19/354221819.db2.gz UBEZHSDJULELLZ-IUODEOHRSA-N 1 1 321.377 1.363 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000305730648 354471258 /nfs/dbraw/zinc/47/12/58/354471258.db2.gz KIYQMCRENGQLKC-YGRLFVJLSA-N 1 1 307.350 1.625 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000314019995 354483484 /nfs/dbraw/zinc/48/34/84/354483484.db2.gz IQBPWBFJHJBIKM-VIFPVBQESA-N 1 1 317.342 1.154 20 5 DDBDMO C[N@@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1CC1 ZINC000314998627 354490587 /nfs/dbraw/zinc/49/05/87/354490587.db2.gz IXZPXJQBFXLZHR-UHFFFAOYSA-N 1 1 303.322 1.750 20 5 DDBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589209261 354973977 /nfs/dbraw/zinc/97/39/77/354973977.db2.gz BLLWSSUWDRGVKZ-JTQLQIEISA-N 1 1 321.333 1.063 20 5 DDBDMO CCc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590044204 355042368 /nfs/dbraw/zinc/04/23/68/355042368.db2.gz IFRXHFZPJYPXOM-ZFWWWQNUSA-N 1 1 303.362 1.933 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000494623410 235062367 /nfs/dbraw/zinc/06/23/67/235062367.db2.gz ZBGUHCMTNDJBGU-SNVBAGLBSA-N 1 1 303.322 1.916 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441582 355095552 /nfs/dbraw/zinc/09/55/52/355095552.db2.gz DAKPKNWYHNDAFA-RISCZKNCSA-N 1 1 304.350 1.413 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000591147747 355254944 /nfs/dbraw/zinc/25/49/44/355254944.db2.gz LFMJFGXHONZIEV-LLVKDONJSA-N 1 1 310.329 1.287 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591155623 355256720 /nfs/dbraw/zinc/25/67/20/355256720.db2.gz SEIWNGBBKOLMSX-JTQLQIEISA-N 1 1 312.345 1.410 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000592798733 355696501 /nfs/dbraw/zinc/69/65/01/355696501.db2.gz RGOCUICLHIFEFK-TZMCWYRMSA-N 1 1 305.378 1.936 20 5 DDBDMO CCCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592828096 355704820 /nfs/dbraw/zinc/70/48/20/355704820.db2.gz BNJAXCRZURDKHR-LLVKDONJSA-N 1 1 308.338 1.252 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593175626 355817051 /nfs/dbraw/zinc/81/70/51/355817051.db2.gz WRBJKOAKQIAFHU-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000593505628 355906736 /nfs/dbraw/zinc/90/67/36/355906736.db2.gz YFJCJUFUXAJCAX-CQSZACIVSA-N 1 1 314.345 1.398 20 5 DDBDMO COCCOCC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000593516236 355910649 /nfs/dbraw/zinc/91/06/49/355910649.db2.gz BPVKVBLZQAIBLM-UHFFFAOYSA-N 1 1 324.381 1.083 20 5 DDBDMO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000593468918 355895537 /nfs/dbraw/zinc/89/55/37/355895537.db2.gz GAEWDFKGGWTRBO-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO COC(=O)C[C@]1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595442479 356494689 /nfs/dbraw/zinc/49/46/89/356494689.db2.gz SEZIVVWUXIMLIT-CQSZACIVSA-N 1 1 312.297 1.546 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595607967 356574105 /nfs/dbraw/zinc/57/41/05/356574105.db2.gz MDIBRYNZNAZYDG-CYBMUJFWSA-N 1 1 317.349 1.587 20 5 DDBDMO COc1cc(C[N@H+]2CCC[C@](CO)(OC)C2)ccc1[N+](=O)[O-] ZINC000595660250 356596603 /nfs/dbraw/zinc/59/66/03/356596603.db2.gz TVJYGDFAFWBDRL-HNNXBMFYSA-N 1 1 310.350 1.577 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC000595868025 356685165 /nfs/dbraw/zinc/68/51/65/356685165.db2.gz QQFNKWFOHMKRBG-CYBMUJFWSA-N 1 1 312.276 1.393 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596214205 356816776 /nfs/dbraw/zinc/81/67/76/356816776.db2.gz PDAGTDWCGQELAI-LLVKDONJSA-N 1 1 321.381 1.262 20 5 DDBDMO Cn1c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597855011 357359048 /nfs/dbraw/zinc/35/90/48/357359048.db2.gz OXIYLKXZGDFKGS-LLVKDONJSA-N 1 1 308.382 1.784 20 5 DDBDMO CCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598041279 357439415 /nfs/dbraw/zinc/43/94/15/357439415.db2.gz SFCAIXINGURTQK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598041279 357439416 /nfs/dbraw/zinc/43/94/16/357439416.db2.gz SFCAIXINGURTQK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598041279 357439418 /nfs/dbraw/zinc/43/94/18/357439418.db2.gz SFCAIXINGURTQK-NSHDSACASA-N 1 1 323.397 1.998 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000598341615 357543852 /nfs/dbraw/zinc/54/38/52/357543852.db2.gz DSGPGXBNXHXYGR-CYBMUJFWSA-N 1 1 323.397 1.399 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598592920 357645099 /nfs/dbraw/zinc/64/50/99/357645099.db2.gz NDEAINCJYVNSOB-SNVBAGLBSA-N 1 1 310.354 1.919 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c2ccncc21 ZINC000599176769 357840472 /nfs/dbraw/zinc/84/04/72/357840472.db2.gz XHTKEPVHVQVZMA-LLVKDONJSA-N 1 1 302.334 1.622 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[N@@H+]1CC[C@H](O)C1 ZINC000599198978 357847385 /nfs/dbraw/zinc/84/73/85/357847385.db2.gz DKHCPAFPIRQXNH-LBPRGKRZSA-N 1 1 302.334 1.622 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000599766048 358053023 /nfs/dbraw/zinc/05/30/23/358053023.db2.gz IJLOXWIFIPVZJX-GFCCVEGCSA-N 1 1 319.365 1.550 20 5 DDBDMO Nc1c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600474577 358234934 /nfs/dbraw/zinc/23/49/34/358234934.db2.gz YZZPAVIUFPFLPJ-GFCCVEGCSA-N 1 1 318.377 1.924 20 5 DDBDMO COc1cncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601148938 358422029 /nfs/dbraw/zinc/42/20/29/358422029.db2.gz HRKSBEZMBDESIH-MRXNPFEDSA-N 1 1 317.345 1.996 20 5 DDBDMO Cc1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601148454 358422146 /nfs/dbraw/zinc/42/21/46/358422146.db2.gz BZNIFKOGDOYAJP-HNNXBMFYSA-N 1 1 304.350 1.634 20 5 DDBDMO Cc1[nH+]cc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1C ZINC000601148454 358422147 /nfs/dbraw/zinc/42/21/47/358422147.db2.gz BZNIFKOGDOYAJP-HNNXBMFYSA-N 1 1 304.350 1.634 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@@H](CO)[C@@H]3CCCOC3)c2c1 ZINC000601176870 358434513 /nfs/dbraw/zinc/43/45/13/358434513.db2.gz SGVZNHMPAOSTDK-BZNIZROVSA-N 1 1 317.345 1.764 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601776271 358690567 /nfs/dbraw/zinc/69/05/67/358690567.db2.gz IGBIWJSGGJZNGJ-HNNXBMFYSA-N 1 1 309.366 1.259 20 5 DDBDMO C[N@H+]1CC[C@@H](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000602045169 358789407 /nfs/dbraw/zinc/78/94/07/358789407.db2.gz KYOVQFFXBJXILI-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000602673584 359118592 /nfs/dbraw/zinc/11/85/92/359118592.db2.gz WAVQSHPJGFRCTJ-ZWNOBZJWSA-N 1 1 302.334 1.872 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000602775667 359182486 /nfs/dbraw/zinc/18/24/86/359182486.db2.gz MAFJAVFFTSAAQN-MWLCHTKSSA-N 1 1 322.287 1.487 20 5 DDBDMO CCOCCO[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602800424 359200248 /nfs/dbraw/zinc/20/02/48/359200248.db2.gz MNAIXOODUKTZKJ-ZDUSSCGKSA-N 1 1 312.370 1.227 20 5 DDBDMO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC000602962492 359325416 /nfs/dbraw/zinc/32/54/16/359325416.db2.gz KIKBKXNBPGGHJM-INIZCTEOSA-N 1 1 317.345 1.996 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000603244837 359511422 /nfs/dbraw/zinc/51/14/22/359511422.db2.gz VTRXRXNHHAYPFS-UHFFFAOYSA-N 1 1 317.349 1.839 20 5 DDBDMO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186766430 200006107 /nfs/dbraw/zinc/00/61/07/200006107.db2.gz HFBXFUUYFWPKBJ-QPUJVOFHSA-N 1 1 303.322 1.199 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187091458 200060482 /nfs/dbraw/zinc/06/04/82/200060482.db2.gz DXCIILOFYYGNSQ-GFCCVEGCSA-N 1 1 322.365 1.690 20 5 DDBDMO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000618588303 363684034 /nfs/dbraw/zinc/68/40/34/363684034.db2.gz XCBNDNGXHGCPRH-NOZJJQNGSA-N 1 1 305.338 1.024 20 5 DDBDMO C[C@@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000618588303 363684035 /nfs/dbraw/zinc/68/40/35/363684035.db2.gz XCBNDNGXHGCPRH-NOZJJQNGSA-N 1 1 305.338 1.024 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000188838523 200310970 /nfs/dbraw/zinc/31/09/70/200310970.db2.gz ZFQZWJRXUNHARZ-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609269456 360285184 /nfs/dbraw/zinc/28/51/84/360285184.db2.gz QZNBVVCFFCBFAW-NSHDSACASA-N 1 1 313.379 1.497 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269443 360285289 /nfs/dbraw/zinc/28/52/89/360285289.db2.gz QPVCPWUCNSVRDW-CYBMUJFWSA-N 1 1 307.350 1.435 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)CO ZINC000609894842 360362779 /nfs/dbraw/zinc/36/27/79/360362779.db2.gz DPHHJHDRWCLUAX-UHFFFAOYSA-N 1 1 307.350 1.187 20 5 DDBDMO Cc1ccc(NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000610069332 360378295 /nfs/dbraw/zinc/37/82/95/360378295.db2.gz LOVBDWGOQAHPGN-CYBMUJFWSA-N 1 1 320.393 1.773 20 5 DDBDMO Cc1cc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489196 360449882 /nfs/dbraw/zinc/44/98/82/360449882.db2.gz LSBXRSSWQOHHQG-CQSZACIVSA-N 1 1 320.393 1.989 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000610920549 360571554 /nfs/dbraw/zinc/57/15/54/360571554.db2.gz QFTVDFSDQFVLLY-VIFPVBQESA-N 1 1 307.354 1.408 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000610922439 360572714 /nfs/dbraw/zinc/57/27/14/360572714.db2.gz BALPZUZKTOJCGC-LLVKDONJSA-N 1 1 321.381 1.655 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561471 360759776 /nfs/dbraw/zinc/75/97/76/360759776.db2.gz JKYVDYALLWVJPW-GHMZBOCLSA-N 1 1 308.334 1.569 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc1 ZINC000612778499 361142824 /nfs/dbraw/zinc/14/28/24/361142824.db2.gz LVZLZLUYQLTMEU-CYBMUJFWSA-N 1 1 307.354 1.076 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193470345 201058287 /nfs/dbraw/zinc/05/82/87/201058287.db2.gz ZMOKORLBYKWWAX-HNNXBMFYSA-N 1 1 318.333 1.077 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000193470345 201058291 /nfs/dbraw/zinc/05/82/91/201058291.db2.gz ZMOKORLBYKWWAX-HNNXBMFYSA-N 1 1 318.333 1.077 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000194908248 201309616 /nfs/dbraw/zinc/30/96/16/201309616.db2.gz BPQHJBKYXMEZLJ-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000619536090 364051360 /nfs/dbraw/zinc/05/13/60/364051360.db2.gz IQOMHTJAJVKRLU-GFCCVEGCSA-N 1 1 307.350 1.492 20 5 DDBDMO CCOCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000093315164 193230185 /nfs/dbraw/zinc/23/01/85/193230185.db2.gz XYTNYROZMBIXPI-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CCOCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000093315164 193230187 /nfs/dbraw/zinc/23/01/87/193230187.db2.gz XYTNYROZMBIXPI-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000264821343 204182944 /nfs/dbraw/zinc/18/29/44/204182944.db2.gz XUCLYZWBXHSKLE-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000264821343 204182949 /nfs/dbraw/zinc/18/29/49/204182949.db2.gz XUCLYZWBXHSKLE-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000264821343 204182952 /nfs/dbraw/zinc/18/29/52/204182952.db2.gz XUCLYZWBXHSKLE-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000288336161 220092141 /nfs/dbraw/zinc/09/21/41/220092141.db2.gz IMGRSZJNGZKJJN-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000288336161 220092143 /nfs/dbraw/zinc/09/21/43/220092143.db2.gz IMGRSZJNGZKJJN-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000266210213 205184433 /nfs/dbraw/zinc/18/44/33/205184433.db2.gz XSVFDSGCWVYEHG-LBPRGKRZSA-N 1 1 309.370 1.124 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000288403708 220135918 /nfs/dbraw/zinc/13/59/18/220135918.db2.gz LHQIHRJATASARS-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000288403708 220135920 /nfs/dbraw/zinc/13/59/20/220135920.db2.gz LHQIHRJATASARS-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000266418134 205331570 /nfs/dbraw/zinc/33/15/70/205331570.db2.gz PDQDLBBEIAIUMO-AWEZNQCLSA-N 1 1 305.378 1.938 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000282941041 217340472 /nfs/dbraw/zinc/34/04/72/217340472.db2.gz ZVKZATMVDHPORN-TXEJJXNPSA-N 1 1 319.361 1.627 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284481179 218045100 /nfs/dbraw/zinc/04/51/00/218045100.db2.gz AWCVUDAWKDAUMK-GDBMZVCRSA-N 1 1 321.377 1.379 20 5 DDBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285113222 218295240 /nfs/dbraw/zinc/29/52/40/218295240.db2.gz MBYFAJZNJKEWSC-UHFFFAOYSA-N 1 1 309.370 1.654 20 5 DDBDMO CC(C)(O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339736769 250634772 /nfs/dbraw/zinc/63/47/72/250634772.db2.gz NZEFZOTVABSYAP-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000058925582 184131567 /nfs/dbraw/zinc/13/15/67/184131567.db2.gz QCZHVDCRFWLFDL-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000341004208 251329878 /nfs/dbraw/zinc/32/98/78/251329878.db2.gz AMLIPNGNJFPAGQ-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000341004208 251329881 /nfs/dbraw/zinc/32/98/81/251329881.db2.gz AMLIPNGNJFPAGQ-BXUZGUMPSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000269159268 207283429 /nfs/dbraw/zinc/28/34/29/207283429.db2.gz APJHZENUJBSFQX-UWVGGRQHSA-N 1 1 317.349 1.589 20 5 DDBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+](C)C1 ZINC000413503516 533010025 /nfs/dbraw/zinc/01/00/25/533010025.db2.gz SJFOYMIULPJFII-LLVKDONJSA-N 1 1 323.349 1.144 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000156561677 197123311 /nfs/dbraw/zinc/12/33/11/197123311.db2.gz JQJBSKOPJPPVAD-DYEKYZERSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1[C@H](C)OCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000156561677 197123313 /nfs/dbraw/zinc/12/33/13/197123313.db2.gz JQJBSKOPJPPVAD-DYEKYZERSA-N 1 1 310.350 1.444 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072860139 406886203 /nfs/dbraw/zinc/88/62/03/406886203.db2.gz WSLXWTJMPNKUCC-CYBMUJFWSA-N 1 1 320.393 1.807 20 5 DDBDMO C[N@H+](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000089620214 407141974 /nfs/dbraw/zinc/14/19/74/407141974.db2.gz RNQAJMXTDXVLKZ-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@@H+](CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000089620214 407141975 /nfs/dbraw/zinc/14/19/75/407141975.db2.gz RNQAJMXTDXVLKZ-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102486956 407323409 /nfs/dbraw/zinc/32/34/09/407323409.db2.gz WQHLALCCZDXHMF-LLVKDONJSA-N 1 1 309.370 1.127 20 5 DDBDMO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000098066287 407304972 /nfs/dbraw/zinc/30/49/72/407304972.db2.gz OPLCOLNJLYMJAW-AWEZNQCLSA-N 1 1 323.393 1.503 20 5 DDBDMO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000105790869 407354349 /nfs/dbraw/zinc/35/43/49/407354349.db2.gz FMSNPSPUTHJMCY-UHFFFAOYSA-N 1 1 324.337 1.662 20 5 DDBDMO CCOC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000105795384 407354825 /nfs/dbraw/zinc/35/48/25/407354825.db2.gz WZVCPCMDWFUWAI-CYBMUJFWSA-N 1 1 309.366 1.114 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000107892727 407381300 /nfs/dbraw/zinc/38/13/00/407381300.db2.gz YNNJVWSYAYKFJO-SNVBAGLBSA-N 1 1 322.321 1.575 20 5 DDBDMO CCC(=O)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125589329 407392443 /nfs/dbraw/zinc/39/24/43/407392443.db2.gz SJRCFKKKLDOXSP-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469145 407413684 /nfs/dbraw/zinc/41/36/84/407413684.db2.gz LLGLWCJQYKMWLV-BIBXISHDSA-N 1 1 300.380 1.672 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000271005834 407464975 /nfs/dbraw/zinc/46/49/75/407464975.db2.gz ZEZYSRVSKDWVEW-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000271005834 407464980 /nfs/dbraw/zinc/46/49/80/407464980.db2.gz ZEZYSRVSKDWVEW-NHYWBVRUSA-N 1 1 319.361 1.187 20 5 DDBDMO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000265821215 407469014 /nfs/dbraw/zinc/46/90/14/407469014.db2.gz RZKBQDHNBMYEHP-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000265821215 407469020 /nfs/dbraw/zinc/46/90/20/407469020.db2.gz RZKBQDHNBMYEHP-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270968062 407443910 /nfs/dbraw/zinc/44/39/10/407443910.db2.gz VTOGBQOVBXQCDG-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000270999638 407460261 /nfs/dbraw/zinc/46/02/61/407460261.db2.gz YSKBSBUVENXMOG-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000270999638 407460263 /nfs/dbraw/zinc/46/02/63/407460263.db2.gz YSKBSBUVENXMOG-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152180022 407579291 /nfs/dbraw/zinc/57/92/91/407579291.db2.gz YOVHCXMAXUXUHX-CQSZACIVSA-N 1 1 324.377 1.571 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)(C)O ZINC000114487147 407582696 /nfs/dbraw/zinc/58/26/96/407582696.db2.gz KJKZDTMOTVMLNB-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000266624925 407582993 /nfs/dbraw/zinc/58/29/93/407582993.db2.gz HAULTVOPEKZBFP-OCCSQVGLSA-N 1 1 305.338 1.317 20 5 DDBDMO COCC1=CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000185815515 407511183 /nfs/dbraw/zinc/51/11/83/407511183.db2.gz SVAPUADVUQQFDB-AWEZNQCLSA-N 1 1 322.361 1.613 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000152331060 407614155 /nfs/dbraw/zinc/61/41/55/407614155.db2.gz CABKFYHKLUYYPD-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000271347252 407646327 /nfs/dbraw/zinc/64/63/27/407646327.db2.gz PGOWBHLFANAJPY-GXFFZTMASA-N 1 1 310.350 1.815 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152821604 407698435 /nfs/dbraw/zinc/69/84/35/407698435.db2.gz XVMUNMUJUVJSFZ-GFCCVEGCSA-N 1 1 309.341 1.877 20 5 DDBDMO CC[NH+](CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CC(C)C ZINC000152903839 407712603 /nfs/dbraw/zinc/71/26/03/407712603.db2.gz IMUCKVAKTAKJPA-LLVKDONJSA-N 1 1 311.386 1.804 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000267062575 407732841 /nfs/dbraw/zinc/73/28/41/407732841.db2.gz AEQCCZJJUYNBGQ-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000267062575 407732845 /nfs/dbraw/zinc/73/28/45/407732845.db2.gz AEQCCZJJUYNBGQ-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000267062575 407732849 /nfs/dbraw/zinc/73/28/49/407732849.db2.gz AEQCCZJJUYNBGQ-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1O ZINC000186797456 407773258 /nfs/dbraw/zinc/77/32/58/407773258.db2.gz VGJPRKOGAFGXNM-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1O ZINC000186797456 407773263 /nfs/dbraw/zinc/77/32/63/407773263.db2.gz VGJPRKOGAFGXNM-YGRLFVJLSA-N 1 1 308.334 1.664 20 5 DDBDMO C[N@@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000132349127 407781447 /nfs/dbraw/zinc/78/14/47/407781447.db2.gz LCXCWUCRSYDNKO-UHFFFAOYSA-N 1 1 321.312 1.319 20 5 DDBDMO C[N@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000132349127 407781454 /nfs/dbraw/zinc/78/14/54/407781454.db2.gz LCXCWUCRSYDNKO-UHFFFAOYSA-N 1 1 321.312 1.319 20 5 DDBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000181330647 407982067 /nfs/dbraw/zinc/98/20/67/407982067.db2.gz ZEPSXCHONSRGOP-NSHDSACASA-N 1 1 321.362 1.177 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158901 407921438 /nfs/dbraw/zinc/92/14/38/407921438.db2.gz HNJFNEJZLORCAO-PELKAZGASA-N 1 1 322.340 1.529 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000268162288 407924337 /nfs/dbraw/zinc/92/43/37/407924337.db2.gz CZEFGTNBLRUUKA-SMDDNHRTSA-N 1 1 303.362 1.736 20 5 DDBDMO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272488349 407943246 /nfs/dbraw/zinc/94/32/46/407943246.db2.gz GXIRMJJMCVPDLT-GFCCVEGCSA-N 1 1 307.350 1.857 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272562886 407984800 /nfs/dbraw/zinc/98/48/00/407984800.db2.gz UNRDILDCLUKAFC-GXTWGEPZSA-N 1 1 319.361 1.526 20 5 DDBDMO NC(=O)NC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229126 407991566 /nfs/dbraw/zinc/99/15/66/407991566.db2.gz SDFUTZRLGJJUHM-UHFFFAOYSA-N 1 1 306.322 1.144 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175239084 408088235 /nfs/dbraw/zinc/08/82/35/408088235.db2.gz VPLXMZAZNHIVHC-LLVKDONJSA-N 1 1 320.349 1.121 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000175239084 408088240 /nfs/dbraw/zinc/08/82/40/408088240.db2.gz VPLXMZAZNHIVHC-LLVKDONJSA-N 1 1 320.349 1.121 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000175326421 408106498 /nfs/dbraw/zinc/10/64/98/408106498.db2.gz XBIRNPJFFYGBLD-NSHDSACASA-N 1 1 322.365 1.499 20 5 DDBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155586885 408183022 /nfs/dbraw/zinc/18/30/22/408183022.db2.gz TWHUBHJJPUJWOF-UHFFFAOYSA-N 1 1 301.368 1.213 20 5 DDBDMO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)CO ZINC000190831599 408327897 /nfs/dbraw/zinc/32/78/97/408327897.db2.gz AICUYZCJOPXMML-UWVGGRQHSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)CO ZINC000190831599 408327901 /nfs/dbraw/zinc/32/79/01/408327901.db2.gz AICUYZCJOPXMML-UWVGGRQHSA-N 1 1 302.758 1.812 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190860780 408333273 /nfs/dbraw/zinc/33/32/73/408333273.db2.gz UHYUGJWVKWSEHX-MNOVXSKESA-N 1 1 323.349 1.102 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190860780 408333277 /nfs/dbraw/zinc/33/32/77/408333277.db2.gz UHYUGJWVKWSEHX-MNOVXSKESA-N 1 1 323.349 1.102 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000158575569 408347936 /nfs/dbraw/zinc/34/79/36/408347936.db2.gz AQUIAOSMNBEMLR-GXTWGEPZSA-N 1 1 321.352 1.972 20 5 DDBDMO Cc1ccnc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265196172 408576575 /nfs/dbraw/zinc/57/65/75/408576575.db2.gz LTEZMZBQDGJXFK-AWEZNQCLSA-N 1 1 321.425 1.982 20 5 DDBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000248683820 408614874 /nfs/dbraw/zinc/61/48/74/408614874.db2.gz XXCHNHFZLGYWLR-RYUDHWBXSA-N 1 1 321.381 1.510 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCO)C2CCOCC2)c1 ZINC000275667034 408640410 /nfs/dbraw/zinc/64/04/10/408640410.db2.gz YTNNWDRPETTZRF-OAHLLOKOSA-N 1 1 310.350 1.102 20 5 DDBDMO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1O ZINC000270855089 408708613 /nfs/dbraw/zinc/70/86/13/408708613.db2.gz HGYXFZWRMWGFDJ-SMDDNHRTSA-N 1 1 310.350 1.685 20 5 DDBDMO Cc1cnc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275891325 408709881 /nfs/dbraw/zinc/70/98/81/408709881.db2.gz XZZINADPICLJJL-GFCCVEGCSA-N 1 1 308.382 1.580 20 5 DDBDMO O=C1CCCN1[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270827429 408697906 /nfs/dbraw/zinc/69/79/06/408697906.db2.gz CDHJAPFWEPRQCH-CQSZACIVSA-N 1 1 319.361 1.670 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000250146518 408777606 /nfs/dbraw/zinc/77/76/06/408777606.db2.gz ZXASDKLSINTJPX-GXFFZTMASA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000250146518 408777607 /nfs/dbraw/zinc/77/76/07/408777607.db2.gz ZXASDKLSINTJPX-GXFFZTMASA-N 1 1 310.350 1.815 20 5 DDBDMO CCC(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000280763762 408830929 /nfs/dbraw/zinc/83/09/29/408830929.db2.gz RBLBZIHSNBVKTJ-UHFFFAOYSA-N 1 1 321.377 1.692 20 5 DDBDMO CCC(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000280763762 408830932 /nfs/dbraw/zinc/83/09/32/408830932.db2.gz RBLBZIHSNBVKTJ-UHFFFAOYSA-N 1 1 321.377 1.692 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2[nH+]ccn2C)CC1 ZINC000280814141 408839103 /nfs/dbraw/zinc/83/91/03/408839103.db2.gz XGTATFWHJHICAN-UHFFFAOYSA-N 1 1 319.369 1.180 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285780968 408862261 /nfs/dbraw/zinc/86/22/61/408862261.db2.gz NAVAKFBQSMKVFV-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000192507272 163225512 /nfs/dbraw/zinc/22/55/12/163225512.db2.gz QNGDUVNADMIHEL-TXEJJXNPSA-N 1 1 305.334 1.237 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](CO)(c3ccccc3)C2)n1 ZINC000291925581 408945866 /nfs/dbraw/zinc/94/58/66/408945866.db2.gz SNFSXELCUPSXFU-INIZCTEOSA-N 1 1 316.361 1.427 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000292184019 408997009 /nfs/dbraw/zinc/99/70/09/408997009.db2.gz GQYVOAFGMZQIRC-CYBMUJFWSA-N 1 1 313.333 1.479 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000287757713 409087729 /nfs/dbraw/zinc/08/77/29/409087729.db2.gz NBKXMMQWPSERFO-DTORHVGOSA-N 1 1 305.363 1.597 20 5 DDBDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000288808733 409182048 /nfs/dbraw/zinc/18/20/48/409182048.db2.gz MHWCNUUTXCJWNH-INIZCTEOSA-N 1 1 321.377 1.678 20 5 DDBDMO Cc1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000289421946 409268526 /nfs/dbraw/zinc/26/85/26/409268526.db2.gz JFROFMJOLUGPEJ-UHFFFAOYSA-N 1 1 320.437 1.973 20 5 DDBDMO Cc1ccc(C[N@H+](C)CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000289421946 409268530 /nfs/dbraw/zinc/26/85/30/409268530.db2.gz JFROFMJOLUGPEJ-UHFFFAOYSA-N 1 1 320.437 1.973 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000280541784 409349717 /nfs/dbraw/zinc/34/97/17/409349717.db2.gz DKSFFOWVIGTSKP-MRXNPFEDSA-N 1 1 321.377 1.952 20 5 DDBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000280721286 409426620 /nfs/dbraw/zinc/42/66/20/409426620.db2.gz IAYJDADTFAWPQV-HIFRSBDPSA-N 1 1 307.350 1.086 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295379974 409456801 /nfs/dbraw/zinc/45/68/01/409456801.db2.gz KJENQXSYSJNPIO-BBRMVZONSA-N 1 1 321.377 1.379 20 5 DDBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000357033803 164136840 /nfs/dbraw/zinc/13/68/40/164136840.db2.gz GXSOQCXWDHFBCF-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO O=C1[C@H]([NH+]2CCC(O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304001330 409559249 /nfs/dbraw/zinc/55/92/49/409559249.db2.gz RETLHZHUZUYZRJ-CQSZACIVSA-N 1 1 305.334 1.157 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739012 409562769 /nfs/dbraw/zinc/56/27/69/409562769.db2.gz NOWIZDLTRVWKGT-NSHDSACASA-N 1 1 309.370 1.036 20 5 DDBDMO Cc1nc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000296794498 409641829 /nfs/dbraw/zinc/64/18/29/409641829.db2.gz OLFJDDMFURQBLY-LLVKDONJSA-N 1 1 321.381 1.383 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](O)C1 ZINC000304228583 409581136 /nfs/dbraw/zinc/58/11/36/409581136.db2.gz MLYBWZAXZBQJOR-GFCCVEGCSA-N 1 1 321.333 1.350 20 5 DDBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304315512 409600665 /nfs/dbraw/zinc/60/06/65/409600665.db2.gz OEGKCHNRGHITIU-UKRRQHHQSA-N 1 1 310.398 1.910 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348946813 409603431 /nfs/dbraw/zinc/60/34/31/409603431.db2.gz HLNCJNFAGKKWQM-GJZGRUSLSA-N 1 1 324.381 1.043 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331536073 409609828 /nfs/dbraw/zinc/60/98/28/409609828.db2.gz PWWSKSKGHUIPHR-SNVBAGLBSA-N 1 1 305.334 1.570 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356835254 409647712 /nfs/dbraw/zinc/64/77/12/409647712.db2.gz BLKAMKFRESEIQY-RYUDHWBXSA-N 1 1 307.350 1.525 20 5 DDBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349242775 409758632 /nfs/dbraw/zinc/75/86/32/409758632.db2.gz PBJQHWWUCIXUMH-GHMZBOCLSA-N 1 1 307.306 1.673 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000338423276 409978415 /nfs/dbraw/zinc/97/84/15/409978415.db2.gz VMDYMWVBVSFZOB-UHFFFAOYSA-N 1 1 323.349 1.436 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346609482 410035519 /nfs/dbraw/zinc/03/55/19/410035519.db2.gz CZPGRZWINQMHCX-FZMZJTMJSA-N 1 1 308.334 1.857 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000357774925 410241623 /nfs/dbraw/zinc/24/16/23/410241623.db2.gz NCEWVVNOITVOCE-SNVBAGLBSA-N 1 1 309.370 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](CO)C3)o2)cc1 ZINC000298654192 410330686 /nfs/dbraw/zinc/33/06/86/410330686.db2.gz FLBJJEZWMJFFSF-LLVKDONJSA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CO)C3)o2)cc1 ZINC000298654192 410330692 /nfs/dbraw/zinc/33/06/92/410330692.db2.gz FLBJJEZWMJFFSF-LLVKDONJSA-N 1 1 318.333 1.849 20 5 DDBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](C)O ZINC000352188385 410534108 /nfs/dbraw/zinc/53/41/08/410534108.db2.gz YJVZYJUWKHEQOF-LLVKDONJSA-N 1 1 323.349 1.596 20 5 DDBDMO Cn1c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000347411460 410531203 /nfs/dbraw/zinc/53/12/03/410531203.db2.gz ANPGINCNBZQOMU-UHFFFAOYSA-N 1 1 308.382 1.785 20 5 DDBDMO COC1CC([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000352229233 410564705 /nfs/dbraw/zinc/56/47/05/410564705.db2.gz DGMJXAXZVGHEDD-UHFFFAOYSA-N 1 1 319.361 1.593 20 5 DDBDMO COC1CC([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000352229233 410564710 /nfs/dbraw/zinc/56/47/10/410564710.db2.gz DGMJXAXZVGHEDD-UHFFFAOYSA-N 1 1 319.361 1.593 20 5 DDBDMO COc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299251543 410582277 /nfs/dbraw/zinc/58/22/77/410582277.db2.gz PJETXVMGTSHDGU-LBPRGKRZSA-N 1 1 322.365 1.497 20 5 DDBDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000352228064 410561915 /nfs/dbraw/zinc/56/19/15/410561915.db2.gz VBZJAZSRRGRBSQ-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000352228064 410561921 /nfs/dbraw/zinc/56/19/21/410561921.db2.gz VBZJAZSRRGRBSQ-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347662138 410661279 /nfs/dbraw/zinc/66/12/79/410661279.db2.gz YYTVUFAVBCOGGT-LLVKDONJSA-N 1 1 322.365 1.248 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000347610940 410630930 /nfs/dbraw/zinc/63/09/30/410630930.db2.gz CAALOCHHZNNECA-LBPRGKRZSA-N 1 1 318.324 1.662 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355748223 410675446 /nfs/dbraw/zinc/67/54/46/410675446.db2.gz QMHGTNZXBQCZOO-GFCCVEGCSA-N 1 1 324.333 1.367 20 5 DDBDMO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000301097633 410655615 /nfs/dbraw/zinc/65/56/15/410655615.db2.gz QDRJLFLVUUDYKZ-CYBMUJFWSA-N 1 1 308.386 1.069 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000301530276 410739006 /nfs/dbraw/zinc/73/90/06/410739006.db2.gz KWBFAPNDMVVBMY-QWHCGFSZSA-N 1 1 306.366 1.415 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000301530274 410739543 /nfs/dbraw/zinc/73/95/43/410739543.db2.gz KWBFAPNDMVVBMY-CHWSQXEVSA-N 1 1 306.366 1.415 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353022928 410740891 /nfs/dbraw/zinc/74/08/91/410740891.db2.gz FIRGITBYLDXRNG-SNVBAGLBSA-N 1 1 317.292 1.318 20 5 DDBDMO CC(C)[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761722 410678770 /nfs/dbraw/zinc/67/87/70/410678770.db2.gz SVXYYAOUBPXEOD-CZUORRHYSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761722 410678774 /nfs/dbraw/zinc/67/87/74/410678774.db2.gz SVXYYAOUBPXEOD-CZUORRHYSA-N 1 1 324.377 1.691 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000301782129 410795924 /nfs/dbraw/zinc/79/59/24/410795924.db2.gz SZNOVUPFBPYXNZ-HNNXBMFYSA-N 1 1 309.366 1.398 20 5 DDBDMO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(C)nn(C)c1C ZINC000348048394 410824282 /nfs/dbraw/zinc/82/42/82/410824282.db2.gz PPUAAGFCLVUXTE-LLVKDONJSA-N 1 1 306.370 1.920 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000330628561 410837976 /nfs/dbraw/zinc/83/79/76/410837976.db2.gz LSAIBLVRRMKWLC-CHWSQXEVSA-N 1 1 305.378 1.997 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000330636885 410842340 /nfs/dbraw/zinc/84/23/40/410842340.db2.gz ANSTWDJEZUYFLX-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000330636885 410842343 /nfs/dbraw/zinc/84/23/43/410842343.db2.gz ANSTWDJEZUYFLX-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330676361 410868684 /nfs/dbraw/zinc/86/86/84/410868684.db2.gz UHCPHSOIBNHLIM-LLVKDONJSA-N 1 1 317.349 1.781 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331074818 410932283 /nfs/dbraw/zinc/93/22/83/410932283.db2.gz VNEWCCORWXVJQG-LBPRGKRZSA-N 1 1 323.397 1.313 20 5 DDBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331074818 410932290 /nfs/dbraw/zinc/93/22/90/410932290.db2.gz VNEWCCORWXVJQG-LBPRGKRZSA-N 1 1 323.397 1.313 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331425004 411083270 /nfs/dbraw/zinc/08/32/70/411083270.db2.gz UWHUPZZCAOFOJW-LBPRGKRZSA-N 1 1 321.381 1.163 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331425004 411083275 /nfs/dbraw/zinc/08/32/75/411083275.db2.gz UWHUPZZCAOFOJW-LBPRGKRZSA-N 1 1 321.381 1.163 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353484650 411023747 /nfs/dbraw/zinc/02/37/47/411023747.db2.gz KJAWONGSLRXSKF-GFCCVEGCSA-N 1 1 310.350 1.181 20 5 DDBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000134035370 196356141 /nfs/dbraw/zinc/35/61/41/196356141.db2.gz HKZCIOMABTUESF-GFCCVEGCSA-N 1 1 307.350 1.293 20 5 DDBDMO Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010077 226003823 /nfs/dbraw/zinc/00/38/23/226003823.db2.gz YFVAZCJARKURGQ-RYUDHWBXSA-N 1 1 311.357 1.934 20 5 DDBDMO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000419010077 226003828 /nfs/dbraw/zinc/00/38/28/226003828.db2.gz YFVAZCJARKURGQ-RYUDHWBXSA-N 1 1 311.357 1.934 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362644508 307023347 /nfs/dbraw/zinc/02/33/47/307023347.db2.gz RXULOAZCXQIHFN-MFKMUULPSA-N 1 1 307.350 1.417 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000373285249 418419401 /nfs/dbraw/zinc/41/94/01/418419401.db2.gz AESSLYKARVTVCH-LLVKDONJSA-N 1 1 305.338 1.114 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366453332 418474833 /nfs/dbraw/zinc/47/48/33/418474833.db2.gz ZRGQPBHIWXAEFL-WDNDVIMCSA-N 1 1 319.361 1.402 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000367774498 418632146 /nfs/dbraw/zinc/63/21/46/418632146.db2.gz WMDLOSUEGQLINP-HNNXBMFYSA-N 1 1 319.361 1.513 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)C1 ZINC000367774498 418632151 /nfs/dbraw/zinc/63/21/51/418632151.db2.gz WMDLOSUEGQLINP-HNNXBMFYSA-N 1 1 319.361 1.513 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1ccnc1 ZINC000371324963 418779907 /nfs/dbraw/zinc/77/99/07/418779907.db2.gz BLOWXHVWFZAVOA-VXGBXAGGSA-N 1 1 304.354 1.608 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1n1ccnc1 ZINC000371324963 418779909 /nfs/dbraw/zinc/77/99/09/418779909.db2.gz BLOWXHVWFZAVOA-VXGBXAGGSA-N 1 1 304.354 1.608 20 5 DDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000371866470 418822335 /nfs/dbraw/zinc/82/23/35/418822335.db2.gz LCMOWYPJBBJYGM-SNVBAGLBSA-N 1 1 317.353 1.395 20 5 DDBDMO C[C@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344353 418894327 /nfs/dbraw/zinc/89/43/27/418894327.db2.gz JDFDCYLZUQBWII-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344353 418894328 /nfs/dbraw/zinc/89/43/28/418894328.db2.gz JDFDCYLZUQBWII-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365839914 418915133 /nfs/dbraw/zinc/91/51/33/418915133.db2.gz UBWWCQCCKPVOTO-ZBEGNZNMSA-N 1 1 319.361 1.769 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365870513 418918062 /nfs/dbraw/zinc/91/80/62/418918062.db2.gz PSHBIKQDZYWVIR-JTQLQIEISA-N 1 1 311.363 1.451 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411724179 419391427 /nfs/dbraw/zinc/39/14/27/419391427.db2.gz YMFTWGOZDKSRLO-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411724179 419391432 /nfs/dbraw/zinc/39/14/32/419391432.db2.gz YMFTWGOZDKSRLO-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000420929418 419362569 /nfs/dbraw/zinc/36/25/69/419362569.db2.gz BJNRJJAFFNBGPT-MGPQQGTHSA-N 1 1 324.377 1.285 20 5 DDBDMO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936983 419371570 /nfs/dbraw/zinc/37/15/70/419371570.db2.gz JFWLARRQKOJEGQ-STQMWFEESA-N 1 1 321.377 1.508 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421041763 419466229 /nfs/dbraw/zinc/46/62/29/419466229.db2.gz YPJDGCDNRPXWOY-ZFWWWQNUSA-N 1 1 308.334 1.199 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411940632 419510028 /nfs/dbraw/zinc/51/00/28/419510028.db2.gz KNPVQLVNMGVLMH-JTQLQIEISA-N 1 1 318.333 1.646 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988699 419959157 /nfs/dbraw/zinc/95/91/57/419959157.db2.gz ARZCVJZOSYXDDJ-NFAWXSAZSA-N 1 1 307.398 1.453 20 5 DDBDMO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CCC2)C1 ZINC000429404341 420015117 /nfs/dbraw/zinc/01/51/17/420015117.db2.gz QDLBKENHKLSLEJ-GFCCVEGCSA-N 1 1 307.398 1.635 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000430248479 420096490 /nfs/dbraw/zinc/09/64/90/420096490.db2.gz ZQKRBBPZMZWIOY-SMDDNHRTSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000430248479 420096495 /nfs/dbraw/zinc/09/64/95/420096495.db2.gz ZQKRBBPZMZWIOY-SMDDNHRTSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc(OCC[NH2+][C@](C)(CN)C(C)C)c([N+](=O)[O-])c1 ZINC000430540694 420132193 /nfs/dbraw/zinc/13/21/93/420132193.db2.gz AIBDESYXPRUAPI-OAHLLOKOSA-N 1 1 311.382 1.945 20 5 DDBDMO COc1ccc(OCCN[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430540694 420132200 /nfs/dbraw/zinc/13/22/00/420132200.db2.gz AIBDESYXPRUAPI-OAHLLOKOSA-N 1 1 311.382 1.945 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443065773 229988307 /nfs/dbraw/zinc/98/83/07/229988307.db2.gz CRPMLZFNSRDGPR-CHWSQXEVSA-N 1 1 320.393 1.983 20 5 DDBDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444699050 230124142 /nfs/dbraw/zinc/12/41/42/230124142.db2.gz DQLPWOKCBDDLBB-INIZCTEOSA-N 1 1 318.377 1.901 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439174041 420499476 /nfs/dbraw/zinc/49/94/76/420499476.db2.gz YEJPJNVEZHADIP-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450958719 420571047 /nfs/dbraw/zinc/57/10/47/420571047.db2.gz WPLQARPVOZHQEF-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO CC(=O)c1cc(N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450959492 420571645 /nfs/dbraw/zinc/57/16/45/420571645.db2.gz YMYPIELANMSHOV-LLVKDONJSA-N 1 1 307.350 1.300 20 5 DDBDMO CC(=O)c1cc(N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450959492 420571648 /nfs/dbraw/zinc/57/16/48/420571648.db2.gz YMYPIELANMSHOV-LLVKDONJSA-N 1 1 307.350 1.300 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452069540 420619556 /nfs/dbraw/zinc/61/95/56/420619556.db2.gz QCBAGQNWARKFBT-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000452069540 420619563 /nfs/dbraw/zinc/61/95/63/420619563.db2.gz QCBAGQNWARKFBT-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000452067395 420620477 /nfs/dbraw/zinc/62/04/77/420620477.db2.gz MHNDMTOVROIHGC-KGYLQXTDSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000452067395 420620480 /nfs/dbraw/zinc/62/04/80/420620480.db2.gz MHNDMTOVROIHGC-KGYLQXTDSA-N 1 1 321.377 1.933 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000457122580 420621645 /nfs/dbraw/zinc/62/16/45/420621645.db2.gz OUONMQHGLMTUHE-ZDUSSCGKSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457130102 420626805 /nfs/dbraw/zinc/62/68/05/420626805.db2.gz RCXZLZBOMDHQSA-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000457130102 420626807 /nfs/dbraw/zinc/62/68/07/420626807.db2.gz RCXZLZBOMDHQSA-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000457137205 420627472 /nfs/dbraw/zinc/62/74/72/420627472.db2.gz XDRRAHPYLJUSIY-GFCCVEGCSA-N 1 1 309.370 1.123 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493085674 420753184 /nfs/dbraw/zinc/75/31/84/420753184.db2.gz POVAVVFRPOUYAQ-RQOWECAXSA-N 1 1 303.240 1.457 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792257 420874655 /nfs/dbraw/zinc/87/46/55/420874655.db2.gz JKYOLDJJCJKUGA-SRVKXCTJSA-N 1 1 310.375 1.524 20 5 DDBDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449442823 421012491 /nfs/dbraw/zinc/01/24/91/421012491.db2.gz NDMSLRSXMZKMGO-VIFPVBQESA-N 1 1 307.397 1.074 20 5 DDBDMO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449697429 421061977 /nfs/dbraw/zinc/06/19/77/421061977.db2.gz KWXHVWAKRHXNIT-LBPRGKRZSA-N 1 1 317.349 1.589 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799333 421118348 /nfs/dbraw/zinc/11/83/48/421118348.db2.gz KJQKZVIWGSCKEF-WCQYABFASA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000456353020 421148151 /nfs/dbraw/zinc/14/81/51/421148151.db2.gz NVXFOGHGEVNDLU-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000525804609 421302544 /nfs/dbraw/zinc/30/25/44/421302544.db2.gz FHHOMFUTJUKDLI-CYBMUJFWSA-N 1 1 320.393 1.489 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(F)CC2)cc1 ZINC000526984745 421344926 /nfs/dbraw/zinc/34/49/26/421344926.db2.gz JZLOJZLGOBIIPI-UHFFFAOYSA-N 1 1 302.327 1.460 20 5 DDBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCC2)O1 ZINC000563080877 421452356 /nfs/dbraw/zinc/45/23/56/421452356.db2.gz IHAQWKIPSPSCOG-GFCCVEGCSA-N 1 1 307.350 1.400 20 5 DDBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCC2)O1 ZINC000563080877 421452357 /nfs/dbraw/zinc/45/23/57/421452357.db2.gz IHAQWKIPSPSCOG-GFCCVEGCSA-N 1 1 307.350 1.400 20 5 DDBDMO Cc1[nH+]ccn1CCCCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000563898755 421555259 /nfs/dbraw/zinc/55/52/59/421555259.db2.gz LGNTVLIJLIBFSS-UHFFFAOYSA-N 1 1 308.367 2.044 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000536639858 421723149 /nfs/dbraw/zinc/72/31/49/421723149.db2.gz APQSADAIZHZYTN-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000536639858 421723152 /nfs/dbraw/zinc/72/31/52/421723152.db2.gz APQSADAIZHZYTN-GHMZBOCLSA-N 1 1 306.366 1.801 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCOCC1 ZINC000533447240 421674395 /nfs/dbraw/zinc/67/43/95/421674395.db2.gz RIWOFRFUFNZZTP-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO O=C1CCCN1CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804411 421683904 /nfs/dbraw/zinc/68/39/04/421683904.db2.gz YLKPQTQXIYNJQU-UHFFFAOYSA-N 1 1 303.362 1.965 20 5 DDBDMO O=C1CCCN1CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804411 421683906 /nfs/dbraw/zinc/68/39/06/421683906.db2.gz YLKPQTQXIYNJQU-UHFFFAOYSA-N 1 1 303.362 1.965 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000521031737 421770181 /nfs/dbraw/zinc/77/01/81/421770181.db2.gz SBCJANNHDAYNNY-UHFFFAOYSA-N 1 1 322.365 1.321 20 5 DDBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201835 422330221 /nfs/dbraw/zinc/33/02/21/422330221.db2.gz WDTKQPMHNPKIDS-UTUOFQBUSA-N 1 1 308.334 1.512 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596075741 422361952 /nfs/dbraw/zinc/36/19/52/422361952.db2.gz KHKVRQGOERFOOE-GFCCVEGCSA-N 1 1 307.398 2.496 20 5 DDBDMO CNC(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000578374866 422559247 /nfs/dbraw/zinc/55/92/47/422559247.db2.gz TWXMPSKXVFDHAW-NSHDSACASA-N 1 1 307.354 1.002 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000345300447 272213157 /nfs/dbraw/zinc/21/31/57/272213157.db2.gz KAGSXLZTEIJZJU-GFCCVEGCSA-N 1 1 321.381 1.323 20 5 DDBDMO Cn1c[nH+]cc1CCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000345677647 272302861 /nfs/dbraw/zinc/30/28/61/272302861.db2.gz ZYYKEJBHZDVOIY-UHFFFAOYSA-N 1 1 314.305 1.746 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000345925023 272366648 /nfs/dbraw/zinc/36/66/48/272366648.db2.gz LDPMHUSLQDSQDQ-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CCO)CC1 ZINC000276626901 275034441 /nfs/dbraw/zinc/03/44/41/275034441.db2.gz NMXLCXMKHGUKSX-UHFFFAOYSA-N 1 1 302.334 1.257 20 5 DDBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](CC)CC2)c1[N+](=O)[O-] ZINC000150836874 276300599 /nfs/dbraw/zinc/30/05/99/276300599.db2.gz HKJFEIQSCTVFKB-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)[NH2+]1 ZINC000123884401 281179537 /nfs/dbraw/zinc/17/95/37/281179537.db2.gz WHKUGSHQZJVSAZ-YUMQZZPRSA-N 1 1 305.381 1.027 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362697232 300117243 /nfs/dbraw/zinc/11/72/43/300117243.db2.gz JNSCFWAAGGLLOG-UHFFFAOYSA-N 1 1 324.287 1.737 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904171 300323804 /nfs/dbraw/zinc/32/38/04/300323804.db2.gz LBUQBWLFSCICAU-MFKMUULPSA-N 1 1 319.365 1.128 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364433726 300395971 /nfs/dbraw/zinc/39/59/71/300395971.db2.gz VLOSITAVPPYYMG-GJZGRUSLSA-N 1 1 319.361 1.266 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000368579778 301056456 /nfs/dbraw/zinc/05/64/56/301056456.db2.gz UIIKPGDLXUFWMH-GHMZBOCLSA-N 1 1 320.349 1.119 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)o2)c1 ZINC000370385924 301328056 /nfs/dbraw/zinc/32/80/56/301328056.db2.gz HLDKAWJFYPQMRQ-UONOGXRCSA-N 1 1 318.329 1.782 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000370465582 301344669 /nfs/dbraw/zinc/34/46/69/301344669.db2.gz TWVADDFRNRVSHC-VXGBXAGGSA-N 1 1 323.324 1.327 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534349514 303332585 /nfs/dbraw/zinc/33/25/85/303332585.db2.gz SMQHUBFECGTETN-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534349514 303332588 /nfs/dbraw/zinc/33/25/88/303332588.db2.gz SMQHUBFECGTETN-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000536608800 303365795 /nfs/dbraw/zinc/36/57/95/303365795.db2.gz RRAFJVGRAVLPBN-NWDGAFQWSA-N 1 1 321.377 1.697 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000532 307113987 /nfs/dbraw/zinc/11/39/87/307113987.db2.gz ITNSNNQZROEUJL-VXGBXAGGSA-N 1 1 309.370 1.343 20 5 DDBDMO CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369000532 307113988 /nfs/dbraw/zinc/11/39/88/307113988.db2.gz ITNSNNQZROEUJL-VXGBXAGGSA-N 1 1 309.370 1.343 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1 ZINC000371892912 307159678 /nfs/dbraw/zinc/15/96/78/307159678.db2.gz BOZOJJHHZZXAGI-QWHCGFSZSA-N 1 1 307.354 1.440 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000570118845 308159636 /nfs/dbraw/zinc/15/96/36/308159636.db2.gz YWHNPMKLKOUCEF-UKRRQHHQSA-N 1 1 317.349 1.037 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000576762989 308338240 /nfs/dbraw/zinc/33/82/40/308338240.db2.gz KBQAZJFDCIZIRV-JTQLQIEISA-N 1 1 307.354 1.025 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000299331996 534063646 /nfs/dbraw/zinc/06/36/46/534063646.db2.gz PWGGKHMRUMNOGT-LLVKDONJSA-N 1 1 323.349 1.653 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000330986162 534889228 /nfs/dbraw/zinc/88/92/28/534889228.db2.gz IULZYLMMCCVQTO-SNVBAGLBSA-N 1 1 308.260 1.181 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000330986162 534889229 /nfs/dbraw/zinc/88/92/29/534889229.db2.gz IULZYLMMCCVQTO-SNVBAGLBSA-N 1 1 308.260 1.181 20 5 DDBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cnn(C)c1 ZINC000459587287 527944140 /nfs/dbraw/zinc/94/41/40/527944140.db2.gz FXEAPCVAMLARHH-UHFFFAOYSA-N 1 1 306.370 1.683 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302456818 528310623 /nfs/dbraw/zinc/31/06/23/528310623.db2.gz QPDDJNDBRQPHQA-OLZOCXBDSA-N 1 1 323.393 1.885 20 5 DDBDMO CCOc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000301506475 528312365 /nfs/dbraw/zinc/31/23/65/528312365.db2.gz CXVKJYZEZRNNEK-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000457141265 529060458 /nfs/dbraw/zinc/06/04/58/529060458.db2.gz ZAOWVKSSWITJQI-GFCCVEGCSA-N 1 1 323.397 1.468 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451735509 529289808 /nfs/dbraw/zinc/28/98/08/529289808.db2.gz YHRAJKWSHVWHMP-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736854502 598503942 /nfs/dbraw/zinc/50/39/42/598503942.db2.gz CYZJMABRABLCLL-SNVBAGLBSA-N 1 1 317.353 1.529 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000072501209 696394019 /nfs/dbraw/zinc/39/40/19/696394019.db2.gz FCFGLPDCEZTAIE-CYBMUJFWSA-N 1 1 320.393 1.875 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799191555 700127433 /nfs/dbraw/zinc/12/74/33/700127433.db2.gz NAELIFJNSVYBRE-JSGCOSHPSA-N 1 1 317.349 1.037 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000749675172 700176438 /nfs/dbraw/zinc/17/64/38/700176438.db2.gz JAAZODVCTXJBDV-ZDUSSCGKSA-N 1 1 317.349 1.346 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596661 698124741 /nfs/dbraw/zinc/12/47/41/698124741.db2.gz HKDQJZHPLPYYDN-AWEZNQCLSA-N 1 1 309.366 1.332 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000776777818 698139380 /nfs/dbraw/zinc/13/93/80/698139380.db2.gz RNUWTAGEGVZFEG-ZDUSSCGKSA-N 1 1 313.321 1.441 20 5 DDBDMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000776777818 698139381 /nfs/dbraw/zinc/13/93/81/698139381.db2.gz RNUWTAGEGVZFEG-ZDUSSCGKSA-N 1 1 313.321 1.441 20 5 DDBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1CCO ZINC000777831403 698225756 /nfs/dbraw/zinc/22/57/56/698225756.db2.gz CVLQEYWPGCWLCU-SNVBAGLBSA-N 1 1 322.390 1.707 20 5 DDBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1CCO ZINC000777831403 698225758 /nfs/dbraw/zinc/22/57/58/698225758.db2.gz CVLQEYWPGCWLCU-SNVBAGLBSA-N 1 1 322.390 1.707 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000778307514 698259890 /nfs/dbraw/zinc/25/98/90/698259890.db2.gz GGMPLFHPPXRURA-LBPRGKRZSA-N 1 1 316.304 1.720 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000800374541 700218824 /nfs/dbraw/zinc/21/88/24/700218824.db2.gz RTVUHMXMGJIIPE-WWGRRREGSA-N 1 1 323.393 1.015 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000786922549 699180127 /nfs/dbraw/zinc/18/01/27/699180127.db2.gz ISHQUXRFQVNLHJ-NSHDSACASA-N 1 1 304.350 1.391 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000735893733 699708894 /nfs/dbraw/zinc/70/88/94/699708894.db2.gz GZTBNZQHNATDAK-UHFFFAOYSA-N 1 1 308.334 1.782 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000742197898 699866637 /nfs/dbraw/zinc/86/66/37/699866637.db2.gz VXNXKJXNNADINH-SNVBAGLBSA-N 1 1 323.349 1.388 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000742197898 699866639 /nfs/dbraw/zinc/86/66/39/699866639.db2.gz VXNXKJXNNADINH-SNVBAGLBSA-N 1 1 323.349 1.388 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1 ZINC000742242478 699869931 /nfs/dbraw/zinc/86/99/31/699869931.db2.gz WDQZKQIIZDCWIT-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803522 700388746 /nfs/dbraw/zinc/38/87/46/700388746.db2.gz JNMLIZQRTPCRKH-PWSUYJOCSA-N 1 1 319.365 1.841 20 5 DDBDMO COc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000762817210 700908471 /nfs/dbraw/zinc/90/84/71/700908471.db2.gz ZACHRROYHAFNEF-CQSZACIVSA-N 1 1 311.338 1.091 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000804613453 701203731 /nfs/dbraw/zinc/20/37/31/701203731.db2.gz SFANILZDNQUGSK-JTQLQIEISA-N 1 1 308.294 1.024 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000804613453 701203734 /nfs/dbraw/zinc/20/37/34/701203734.db2.gz SFANILZDNQUGSK-JTQLQIEISA-N 1 1 308.294 1.024 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839649483 701766163 /nfs/dbraw/zinc/76/61/63/701766163.db2.gz KXMQDAHWEVVUBZ-BZUAXINKSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839649483 701766166 /nfs/dbraw/zinc/76/61/66/701766166.db2.gz KXMQDAHWEVVUBZ-BZUAXINKSA-N 1 1 317.389 1.332 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839649483 701766172 /nfs/dbraw/zinc/76/61/72/701766172.db2.gz KXMQDAHWEVVUBZ-BZUAXINKSA-N 1 1 317.389 1.332 20 5 DDBDMO CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839659367 701768684 /nfs/dbraw/zinc/76/86/84/701768684.db2.gz ZIFCQGGHIRGCCM-HUUCEWRRSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000867949632 701848971 /nfs/dbraw/zinc/84/89/71/701848971.db2.gz FGTPOUYGZBHEJE-IAQYHMDHSA-N 1 1 307.350 1.406 20 5 DDBDMO CCN(C[C@@H]1CCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867970190 701862516 /nfs/dbraw/zinc/86/25/16/701862516.db2.gz YRBNEPMMHNJUEQ-GOEBONIOSA-N 1 1 321.377 1.796 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000866121520 706625227 /nfs/dbraw/zinc/62/52/27/706625227.db2.gz RNTOOPJRYFUMCI-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO CC(C)(C[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1)C(N)=O ZINC000840110810 701973780 /nfs/dbraw/zinc/97/37/80/701973780.db2.gz ULCUXEBFKFGTNY-LLVKDONJSA-N 1 1 309.370 1.362 20 5 DDBDMO CC(C)(C[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1)C(N)=O ZINC000840110810 701973781 /nfs/dbraw/zinc/97/37/81/701973781.db2.gz ULCUXEBFKFGTNY-LLVKDONJSA-N 1 1 309.370 1.362 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000840460140 702117803 /nfs/dbraw/zinc/11/78/03/702117803.db2.gz MLTATZXMWIDAQK-HUUCEWRRSA-N 1 1 309.410 1.909 20 5 DDBDMO C[NH+]1CCN(C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000866213103 706650746 /nfs/dbraw/zinc/65/07/46/706650746.db2.gz ZDAHHHWMQDVCIT-UHFFFAOYSA-N 1 1 305.382 1.206 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000879362268 706661346 /nfs/dbraw/zinc/66/13/46/706661346.db2.gz SRSHOBKTQVPKQU-SWLSCSKDSA-N 1 1 310.350 1.039 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817679648 702449046 /nfs/dbraw/zinc/44/90/46/702449046.db2.gz VENUOKWZJGOQBL-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842334523 702705224 /nfs/dbraw/zinc/70/52/24/702705224.db2.gz YEYJABGMGGAVLZ-RRFJBIMHSA-N 1 1 304.346 1.859 20 5 DDBDMO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842334523 702705226 /nfs/dbraw/zinc/70/52/26/702705226.db2.gz YEYJABGMGGAVLZ-RRFJBIMHSA-N 1 1 304.346 1.859 20 5 DDBDMO O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842334523 702705228 /nfs/dbraw/zinc/70/52/28/702705228.db2.gz YEYJABGMGGAVLZ-RRFJBIMHSA-N 1 1 304.346 1.859 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000842624158 702744722 /nfs/dbraw/zinc/74/47/22/702744722.db2.gz NDDLFUFCAWFUFM-INIZCTEOSA-N 1 1 316.361 1.823 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000842624158 702744724 /nfs/dbraw/zinc/74/47/24/702744724.db2.gz NDDLFUFCAWFUFM-INIZCTEOSA-N 1 1 316.361 1.823 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1[NH3+] ZINC000843353690 702865205 /nfs/dbraw/zinc/86/52/05/702865205.db2.gz MXRDREDUEFAZAB-ZWNOBZJWSA-N 1 1 324.356 1.732 20 5 DDBDMO C[N@@H+]1CC[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582502 703565514 /nfs/dbraw/zinc/56/55/14/703565514.db2.gz MVOWAFRTJONCCP-SECBINFHSA-N 1 1 315.276 1.387 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582502 703565516 /nfs/dbraw/zinc/56/55/16/703565516.db2.gz MVOWAFRTJONCCP-SECBINFHSA-N 1 1 315.276 1.387 20 5 DDBDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(N)c([N+](=O)[O-])c1 ZINC000819719284 704164469 /nfs/dbraw/zinc/16/44/69/704164469.db2.gz RHVHFRTZZHTNFB-SMDDNHRTSA-N 1 1 318.377 1.652 20 5 DDBDMO C[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871157340 704233961 /nfs/dbraw/zinc/23/39/61/704233961.db2.gz LTKPCXCQNAHSMK-CQSZACIVSA-N 1 1 321.377 1.571 20 5 DDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575709 704274225 /nfs/dbraw/zinc/27/42/25/704274225.db2.gz JHDLEIWPXHHOGR-HSMVNMDESA-N 1 1 317.345 1.831 20 5 DDBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000853575709 704274226 /nfs/dbraw/zinc/27/42/26/704274226.db2.gz JHDLEIWPXHHOGR-HSMVNMDESA-N 1 1 317.345 1.831 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000820591094 704306637 /nfs/dbraw/zinc/30/66/37/704306637.db2.gz CINCNFFIWMWSEJ-UHFFFAOYSA-N 1 1 322.321 1.271 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188240 706918776 /nfs/dbraw/zinc/91/87/76/706918776.db2.gz WEFPIJJBOZJQGQ-WDEREUQCSA-N 1 1 309.341 1.827 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000874834286 705192179 /nfs/dbraw/zinc/19/21/79/705192179.db2.gz QUSLQUKNTWVUOJ-WDEREUQCSA-N 1 1 306.322 1.004 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc([N+](=O)[O-])c1N ZINC000874836916 705193674 /nfs/dbraw/zinc/19/36/74/705193674.db2.gz IDKKXSPBGAGTDT-RYUDHWBXSA-N 1 1 304.350 1.486 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839961 705196076 /nfs/dbraw/zinc/19/60/76/705196076.db2.gz YOHLHBPDTOZNQS-QWRGUYRKSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874839961 705196079 /nfs/dbraw/zinc/19/60/79/705196079.db2.gz YOHLHBPDTOZNQS-QWRGUYRKSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874839961 705196081 /nfs/dbraw/zinc/19/60/81/705196081.db2.gz YOHLHBPDTOZNQS-QWRGUYRKSA-N 1 1 321.381 1.750 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000860651468 705246446 /nfs/dbraw/zinc/24/64/46/705246446.db2.gz RAUDIWNVYOCMRT-UHFFFAOYSA-N 1 1 318.333 1.909 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825099415 705599498 /nfs/dbraw/zinc/59/94/98/705599498.db2.gz ZCLTXVLJADWJHE-WFASDCNBSA-N 1 1 321.377 1.619 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827231535 705956212 /nfs/dbraw/zinc/95/62/12/705956212.db2.gz HIHXYACCLVHVAP-JSGCOSHPSA-N 1 1 321.352 1.829 20 5 DDBDMO CNc1nccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827252913 705960513 /nfs/dbraw/zinc/96/05/13/705960513.db2.gz ALTDZYPUZWNRQK-PWSUYJOCSA-N 1 1 319.365 1.198 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374768 705988678 /nfs/dbraw/zinc/98/86/78/705988678.db2.gz PUIPHAFKSICHDQ-QWHCGFSZSA-N 1 1 319.361 1.526 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835298519 707217426 /nfs/dbraw/zinc/21/74/26/707217426.db2.gz VUKQEINRPZLLRJ-GFCCVEGCSA-N 1 1 302.371 1.474 20 5 DDBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)(CO)CC2)ccc1Cl ZINC000877797164 706218582 /nfs/dbraw/zinc/21/85/82/706218582.db2.gz DRTQARORIHNCDA-UHFFFAOYSA-N 1 1 314.769 1.815 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])[C@H]12 ZINC000880528599 707005427 /nfs/dbraw/zinc/00/54/27/707005427.db2.gz FMNQXOKFKALGIU-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])[C@H]12 ZINC000880528599 707005429 /nfs/dbraw/zinc/00/54/29/707005429.db2.gz FMNQXOKFKALGIU-DOMZBBRYSA-N 1 1 319.361 1.574 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000837188358 707594500 /nfs/dbraw/zinc/59/45/00/707594500.db2.gz DYPQRCQZBDTDOS-JTQLQIEISA-N 1 1 324.356 1.871 20 5 DDBDMO Cc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000838145137 707854570 /nfs/dbraw/zinc/85/45/70/707854570.db2.gz VHZMXFXUDSXNGC-GFCCVEGCSA-N 1 1 320.393 1.947 20 5 DDBDMO CCc1ccc([C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000839461509 708049170 /nfs/dbraw/zinc/04/91/70/708049170.db2.gz ANFDRSZNOGURLM-KFWWJZLASA-N 1 1 305.378 1.633 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219485 708257157 /nfs/dbraw/zinc/25/71/57/708257157.db2.gz LDJGUJPJMUMFSS-QWHCGFSZSA-N 1 1 321.377 1.639 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000912606065 713045749 /nfs/dbraw/zinc/04/57/49/713045749.db2.gz JDXGQSGNERELRN-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])CN1 ZINC000886098676 708698058 /nfs/dbraw/zinc/69/80/58/708698058.db2.gz PKHFKEMSRIYGQE-CHWSQXEVSA-N 1 1 304.350 1.480 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912610451 713048844 /nfs/dbraw/zinc/04/88/44/713048844.db2.gz QNGUVNPQXYDXNS-UHFFFAOYSA-N 1 1 315.757 1.244 20 5 DDBDMO COCc1ncc2c(n1)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886303866 708738873 /nfs/dbraw/zinc/73/88/73/708738873.db2.gz HWCDWDJDMVMWMT-UHFFFAOYSA-N 1 1 315.333 1.485 20 5 DDBDMO COCc1ncc2c(n1)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886303866 708738874 /nfs/dbraw/zinc/73/88/74/708738874.db2.gz HWCDWDJDMVMWMT-UHFFFAOYSA-N 1 1 315.333 1.485 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000886602163 708791215 /nfs/dbraw/zinc/79/12/15/708791215.db2.gz LCVJREXQFSTCEI-ZDUSSCGKSA-N 1 1 323.397 1.288 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886631176 708799016 /nfs/dbraw/zinc/79/90/16/708799016.db2.gz FWGGFDQSAGZJHH-ARFHVFGLSA-N 1 1 306.362 1.865 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888992287 709425478 /nfs/dbraw/zinc/42/54/78/709425478.db2.gz FHNDYIVZDYZQKN-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900807972 709769319 /nfs/dbraw/zinc/76/93/19/709769319.db2.gz XMSLQNVDPQEXSA-MFKMUULPSA-N 1 1 324.356 1.098 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000893264037 710582476 /nfs/dbraw/zinc/58/24/76/710582476.db2.gz BDGGRMJXCSNDBN-OKILXGFUSA-N 1 1 318.377 1.340 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913394502 713207868 /nfs/dbraw/zinc/20/78/68/713207868.db2.gz FQYPMCWSEMVIFN-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451245 713202585 /nfs/dbraw/zinc/20/25/85/713202585.db2.gz VIRSIIPMANSJNQ-CMPLNLGQSA-N 1 1 307.350 1.355 20 5 DDBDMO CCC(=O)c1ccc(N(C)CC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000894590607 711198313 /nfs/dbraw/zinc/19/83/13/711198313.db2.gz JTMHOLWALQHPML-UHFFFAOYSA-N 1 1 309.366 1.548 20 5 DDBDMO CNC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c([N+](=O)[O-])c1 ZINC000895192662 711449540 /nfs/dbraw/zinc/44/95/40/711449540.db2.gz KCCFQFAFPUVSII-OLZOCXBDSA-N 1 1 318.377 1.627 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895249675 711466031 /nfs/dbraw/zinc/46/60/31/711466031.db2.gz WOFKARMZULHBHF-VXGBXAGGSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895249675 711466035 /nfs/dbraw/zinc/46/60/35/711466035.db2.gz WOFKARMZULHBHF-VXGBXAGGSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895249675 711466037 /nfs/dbraw/zinc/46/60/37/711466037.db2.gz WOFKARMZULHBHF-VXGBXAGGSA-N 1 1 318.381 1.289 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328398 711485777 /nfs/dbraw/zinc/48/57/77/711485777.db2.gz FZUADFQDTPVDTO-GXFFZTMASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328398 711485778 /nfs/dbraw/zinc/48/57/78/711485778.db2.gz FZUADFQDTPVDTO-GXFFZTMASA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@H]1[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1C ZINC000895735270 711590199 /nfs/dbraw/zinc/59/01/99/711590199.db2.gz CBRDJOPBCDHFMI-NKWVEPMBSA-N 1 1 307.276 1.852 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000918395946 713541559 /nfs/dbraw/zinc/54/15/59/713541559.db2.gz VXPQYEYIZQAUCL-NSHDSACASA-N 1 1 322.321 1.635 20 5 DDBDMO C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439820 714098612 /nfs/dbraw/zinc/09/86/12/714098612.db2.gz ONZCVWNFGRTWCP-IJEWVQPXSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439820 714098620 /nfs/dbraw/zinc/09/86/20/714098620.db2.gz ONZCVWNFGRTWCP-IJEWVQPXSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439820 714098621 /nfs/dbraw/zinc/09/86/21/714098621.db2.gz ONZCVWNFGRTWCP-IJEWVQPXSA-N 1 1 305.378 1.512 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000931609185 714138032 /nfs/dbraw/zinc/13/80/32/714138032.db2.gz DDQFAIYHSHJTTG-RNCFNFMXSA-N 1 1 308.313 1.902 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720608 714169033 /nfs/dbraw/zinc/16/90/33/714169033.db2.gz SYWPOAHYXFCAEG-IMJJTQAJSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720608 714169036 /nfs/dbraw/zinc/16/90/36/714169036.db2.gz SYWPOAHYXFCAEG-IMJJTQAJSA-N 1 1 305.378 1.797 20 5 DDBDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931720608 714169039 /nfs/dbraw/zinc/16/90/39/714169039.db2.gz SYWPOAHYXFCAEG-IMJJTQAJSA-N 1 1 305.378 1.797 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370497 714331152 /nfs/dbraw/zinc/33/11/52/714331152.db2.gz PHLSTBNHCOKJCQ-UNIGVISCSA-N 1 1 323.393 1.311 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933171383 714527240 /nfs/dbraw/zinc/52/72/40/714527240.db2.gz STKQZOXRRYPUAP-KYOSRNDESA-N 1 1 322.361 1.902 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933229978 714542555 /nfs/dbraw/zinc/54/25/55/714542555.db2.gz QVGVFUVUDKIYSE-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933229978 714542559 /nfs/dbraw/zinc/54/25/59/714542559.db2.gz QVGVFUVUDKIYSE-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933737577 714659343 /nfs/dbraw/zinc/65/93/43/714659343.db2.gz BGSLKPLPROIBOM-WBMJQRKESA-N 1 1 318.377 1.417 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117983 714746187 /nfs/dbraw/zinc/74/61/87/714746187.db2.gz QWTYMKBEIMBFFC-OUCADQQQSA-N 1 1 310.350 1.444 20 5 DDBDMO O=C1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCCN1 ZINC000934156288 714756874 /nfs/dbraw/zinc/75/68/74/714756874.db2.gz CEFLBPNGFJHNTK-HNNXBMFYSA-N 1 1 321.377 1.620 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])n1 ZINC000934329821 714796598 /nfs/dbraw/zinc/79/65/98/714796598.db2.gz UGRYKKDACKQZFH-JTQLQIEISA-N 1 1 307.379 1.849 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935779422 715128000 /nfs/dbraw/zinc/12/80/00/715128000.db2.gz YISRWQHOACKXLS-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC001183270340 743813292 /nfs/dbraw/zinc/81/32/92/743813292.db2.gz SRTXBZCHEKJWTA-KBUNVGBDSA-N 1 1 324.255 1.710 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001187670100 744589466 /nfs/dbraw/zinc/58/94/66/744589466.db2.gz XSLSMMGIPONXFE-UHFFFAOYSA-N 1 1 318.337 1.521 20 5 DDBDMO CS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001116150369 752112715 /nfs/dbraw/zinc/11/27/15/752112715.db2.gz NSIRQVHNMORPOP-WCFLWFBJSA-N 1 1 314.411 1.368 20 5 DDBDMO CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCS1 ZINC001169046744 762204176 /nfs/dbraw/zinc/20/41/76/762204176.db2.gz MKCKNRQCOBDCHI-TUAOUCFPSA-N 1 1 302.396 1.412 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000823784950 758362803 /nfs/dbraw/zinc/36/28/03/758362803.db2.gz UIEZYFQHNVDZSL-YGRLFVJLSA-N 1 1 324.356 1.098 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040699260 762652653 /nfs/dbraw/zinc/65/26/53/762652653.db2.gz AUIJITRLYWOBGH-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086364056 761500767 /nfs/dbraw/zinc/50/07/67/761500767.db2.gz RVSYIQJUTPENSI-KBUPBQIOSA-N 1 1 309.410 1.716 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097037499 771590816 /nfs/dbraw/zinc/59/08/16/771590816.db2.gz NEMHZIQMNPQIOV-HDJSIYSDSA-N 1 1 320.393 1.994 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093642352 774924301 /nfs/dbraw/zinc/92/43/01/774924301.db2.gz YRXDHNGUFOBOTO-UHFFFAOYSA-N 1 1 318.337 1.031 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093787412 775078504 /nfs/dbraw/zinc/07/85/04/775078504.db2.gz BXNDLDPLUKOPEI-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC001100203914 775817067 /nfs/dbraw/zinc/81/70/67/775817067.db2.gz LWYPQXKFPMRINM-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO [NH3+]Cc1nc(=O)[nH]n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901204 776916140 /nfs/dbraw/zinc/91/61/40/776916140.db2.gz KYATZUUXTSCEIH-LLVKDONJSA-N 1 1 303.322 1.471 20 5 DDBDMO Cc1nc(NCCN(C)C(=O)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC001101657942 777354853 /nfs/dbraw/zinc/35/48/53/777354853.db2.gz ZGIPLIWLYJAKLQ-UHFFFAOYSA-N 1 1 323.397 1.509 20 5 DDBDMO Cc1ncc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)o1 ZINC001267257864 837679554 /nfs/dbraw/zinc/67/95/54/837679554.db2.gz YPCVLUWQEQTIKZ-ZIAGYGMSSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1ncc(C[N@@H+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)o1 ZINC001267257864 837679560 /nfs/dbraw/zinc/67/95/60/837679560.db2.gz YPCVLUWQEQTIKZ-ZIAGYGMSSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1ncc(C[N@H+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)o1 ZINC001267257864 837679566 /nfs/dbraw/zinc/67/95/66/837679566.db2.gz YPCVLUWQEQTIKZ-ZIAGYGMSSA-N 1 1 324.381 1.365 20 5 DDBDMO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900784 837028521 /nfs/dbraw/zinc/02/85/21/837028521.db2.gz GDTAHGBAXUWVJE-VZFUPFRKSA-N 1 1 307.394 1.444 20 5 DDBDMO CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900784 837028532 /nfs/dbraw/zinc/02/85/32/837028532.db2.gz GDTAHGBAXUWVJE-VZFUPFRKSA-N 1 1 307.394 1.444 20 5 DDBDMO CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900784 837028540 /nfs/dbraw/zinc/02/85/40/837028540.db2.gz GDTAHGBAXUWVJE-VZFUPFRKSA-N 1 1 307.394 1.444 20 5 DDBDMO CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371614 837933754 /nfs/dbraw/zinc/93/37/54/837933754.db2.gz NYDAIOAIBYXZKO-HZPDHXFCSA-N 1 1 317.389 1.777 20 5 DDBDMO O=C(NCCC1CC[NH+](CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267943249 839233182 /nfs/dbraw/zinc/23/31/82/839233182.db2.gz GOXWPHCZNWQNLP-CHWSQXEVSA-N 1 1 301.362 1.230 20 5 DDBDMO Nc1c(C(=O)NCC[NH+]2CCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001137707445 859965965 /nfs/dbraw/zinc/96/59/65/859965965.db2.gz OEFAVTQAGFRBCF-UHFFFAOYSA-N 1 1 316.720 1.405 20 5 DDBDMO CC(C)[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001157011150 863517510 /nfs/dbraw/zinc/51/75/10/863517510.db2.gz XHJFJNPCEFXKHV-JTQLQIEISA-N 1 1 309.326 1.817 20 5 DDBDMO CO[C@@H]1COCC[C@H]1Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001157409994 863798289 /nfs/dbraw/zinc/79/82/89/863798289.db2.gz NGWWBPCQQHFHDZ-FAQJLRJSSA-N 1 1 322.365 1.738 20 5 DDBDMO CCOc1nc(NCC2([NH+]3CCCC3)COC2)ccc1[N+](=O)[O-] ZINC001157655999 864023620 /nfs/dbraw/zinc/02/36/20/864023620.db2.gz QMVJOVITNHYHTJ-UHFFFAOYSA-N 1 1 322.365 1.665 20 5 DDBDMO O=C(NCCC[NH2+]Cc1nc2ccccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761134 864110932 /nfs/dbraw/zinc/11/09/32/864110932.db2.gz NVIABKCLEOKDLJ-ZYHUDNBSSA-N 1 1 318.333 1.089 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001161493722 866711502 /nfs/dbraw/zinc/71/15/02/866711502.db2.gz GSLBVFDWIMHFDD-NSHDSACASA-N 1 1 319.361 1.912 20 5 DDBDMO COc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001161493722 866711510 /nfs/dbraw/zinc/71/15/10/866711510.db2.gz GSLBVFDWIMHFDD-NSHDSACASA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C3CCC2(CO)CC3)c1 ZINC001334498110 867622663 /nfs/dbraw/zinc/62/26/63/867622663.db2.gz YVZOUDQGMRHKLF-UGWHAMFMSA-N 1 1 322.361 1.324 20 5 DDBDMO COC(=O)CC(C)(C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335183510 868116954 /nfs/dbraw/zinc/11/69/54/868116954.db2.gz VIZINMBIVDWPGV-CYBMUJFWSA-N 1 1 310.350 1.902 20 5 DDBDMO C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335351186 868242304 /nfs/dbraw/zinc/24/23/04/868242304.db2.gz OWJOPHGVQKASJG-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO CN1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335351186 868242320 /nfs/dbraw/zinc/24/23/20/868242320.db2.gz OWJOPHGVQKASJG-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001163771262 868691111 /nfs/dbraw/zinc/69/11/11/868691111.db2.gz JMPCAWIJJPWXIL-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1C(C)(C)C ZINC001163929783 868801985 /nfs/dbraw/zinc/80/19/85/868801985.db2.gz NENIAYAIQVLCNR-AWEZNQCLSA-N 1 1 320.393 1.979 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@H]3CCC(=O)N3)ccc([N+](=O)[O-])c2C1 ZINC001164170825 868989798 /nfs/dbraw/zinc/98/97/98/868989798.db2.gz IVFUVVBRAHNUFI-SNVBAGLBSA-N 1 1 304.350 1.273 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@H]3CCC(=O)N3)ccc([N+](=O)[O-])c2C1 ZINC001164170825 868989806 /nfs/dbraw/zinc/98/98/06/868989806.db2.gz IVFUVVBRAHNUFI-SNVBAGLBSA-N 1 1 304.350 1.273 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001339316050 870442490 /nfs/dbraw/zinc/44/24/90/870442490.db2.gz GECHUHDHBHXLHO-LERXQTSPSA-N 1 1 319.361 1.673 20 5 DDBDMO COc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC001339815422 870712296 /nfs/dbraw/zinc/71/22/96/870712296.db2.gz MPDPUAWHOPFNBN-RISCZKNCSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001339815422 870712301 /nfs/dbraw/zinc/71/23/01/870712301.db2.gz MPDPUAWHOPFNBN-RISCZKNCSA-N 1 1 308.382 1.650 20 5 DDBDMO COc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001339815422 870712310 /nfs/dbraw/zinc/71/23/10/870712310.db2.gz MPDPUAWHOPFNBN-RISCZKNCSA-N 1 1 308.382 1.650 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC001307799319 871453997 /nfs/dbraw/zinc/45/39/97/871453997.db2.gz ODPATYVWDJBPQE-GDNZZTSVSA-N 1 1 316.317 1.315 20 5 DDBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC001307799319 871454002 /nfs/dbraw/zinc/45/40/02/871454002.db2.gz ODPATYVWDJBPQE-GDNZZTSVSA-N 1 1 316.317 1.315 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c([N+](=O)[O-])n1 ZINC001307781893 871454621 /nfs/dbraw/zinc/45/46/21/871454621.db2.gz QDNYIKWJATWXFZ-LLVKDONJSA-N 1 1 323.397 1.442 20 5 DDBDMO C[C@H]1COCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001341004479 871462666 /nfs/dbraw/zinc/46/26/66/871462666.db2.gz HHWPXGALRIUCIH-ABAIWWIYSA-N 1 1 307.350 1.264 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001310518888 871638752 /nfs/dbraw/zinc/63/87/52/871638752.db2.gz LLCLDSTWQLNPBN-NSHDSACASA-N 1 1 309.370 1.572 20 5 DDBDMO COC(=O)c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])c1 ZINC001227297270 882957675 /nfs/dbraw/zinc/95/76/75/882957675.db2.gz BYLWJYGIUCPWHU-LLVKDONJSA-N 1 1 317.301 1.972 20 5 DDBDMO COc1ccc(CC(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001353895728 877636362 /nfs/dbraw/zinc/63/63/62/877636362.db2.gz WHGZUBQHMLMDGQ-ZDUSSCGKSA-N 1 1 321.377 1.746 20 5 DDBDMO COC(=O)c1ccc(COC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223414677 880954213 /nfs/dbraw/zinc/95/42/13/880954213.db2.gz MKKGLQBMKAIIQT-CYBMUJFWSA-N 1 1 324.333 1.229 20 5 DDBDMO COC(=O)c1ccc(COC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001223414677 880954217 /nfs/dbraw/zinc/95/42/17/880954217.db2.gz MKKGLQBMKAIIQT-CYBMUJFWSA-N 1 1 324.333 1.229 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CO[C@H](C)C[NH+]1CCOCC1 ZINC001223944143 881158363 /nfs/dbraw/zinc/15/83/63/881158363.db2.gz XPELJJNZNVVRKS-GFCCVEGCSA-N 1 1 310.350 1.841 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001254553296 896499576 /nfs/dbraw/zinc/49/95/76/896499576.db2.gz UQIKMOKMRJMVPR-UHOFOFEASA-N 1 1 308.378 1.591 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001254560870 896501497 /nfs/dbraw/zinc/50/14/97/896501497.db2.gz YRCBPKGSOPROFU-DZGCQCFKSA-N 1 1 319.405 1.931 20 5 DDBDMO COC(=O)CN1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561128 896502691 /nfs/dbraw/zinc/50/26/91/896502691.db2.gz FLRYLLQCJDKOFL-ZDUSSCGKSA-N 1 1 321.377 1.316 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610923 896531192 /nfs/dbraw/zinc/53/11/92/896531192.db2.gz MTWOTTIBRBDBGM-HUUCEWRRSA-N 1 1 320.345 1.326 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[NH+](CCO)CC2)cccc1C(F)(F)F ZINC001262056138 899921361 /nfs/dbraw/zinc/92/13/61/899921361.db2.gz FXGYVUYLVNLTLJ-UHFFFAOYSA-N 1 1 319.283 1.728 20 5 DDBDMO CC(C)[N@H+](C)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262564502 900247842 /nfs/dbraw/zinc/24/78/42/900247842.db2.gz KFUSBHGQBYNKDU-CYBMUJFWSA-N 1 1 311.382 1.264 20 5 DDBDMO CC(C)[N@@H+](C)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001262564502 900247856 /nfs/dbraw/zinc/24/78/56/900247856.db2.gz KFUSBHGQBYNKDU-CYBMUJFWSA-N 1 1 311.382 1.264 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCCCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279555420 903325042 /nfs/dbraw/zinc/32/50/42/903325042.db2.gz ZFOXCSBNLGDLMW-ZIAGYGMSSA-N 1 1 313.373 1.540 20 5 DDBDMO O=C(NCC1=CC[N@H+](CCCCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001279555420 903325049 /nfs/dbraw/zinc/32/50/49/903325049.db2.gz ZFOXCSBNLGDLMW-ZIAGYGMSSA-N 1 1 313.373 1.540 20 5 DDBDMO O=C(NCC1=CC[N@@H+](CCCCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001279555420 903325061 /nfs/dbraw/zinc/32/50/61/903325061.db2.gz ZFOXCSBNLGDLMW-ZIAGYGMSSA-N 1 1 313.373 1.540 20 5 DDBDMO CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001280387929 903626265 /nfs/dbraw/zinc/62/62/65/903626265.db2.gz JQDWZAUQMUURGQ-ZIAGYGMSSA-N 1 1 309.410 1.766 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001297253833 916840973 /nfs/dbraw/zinc/84/09/73/916840973.db2.gz ZCORBULHTHNXPU-TXEJJXNPSA-N 1 1 319.361 1.627 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000305361544 231004432 /nfs/dbraw/zinc/00/44/32/231004432.db2.gz UEYDNHKERNMGSR-IUODEOHRSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000452135391 231315667 /nfs/dbraw/zinc/31/56/67/231315667.db2.gz VWWUZLUEUSBKAP-ZFWWWQNUSA-N 1 1 324.377 1.429 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000495224769 529576226 /nfs/dbraw/zinc/57/62/26/529576226.db2.gz NQILQEBMMRGVCA-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000495224769 529576231 /nfs/dbraw/zinc/57/62/31/529576231.db2.gz NQILQEBMMRGVCA-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000272865333 282318844 /nfs/dbraw/zinc/31/88/44/282318844.db2.gz RKKRNKQAOPRSJB-SSDOTTSWSA-N 1 1 307.397 1.422 20 5 DDBDMO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000458215462 530054741 /nfs/dbraw/zinc/05/47/41/530054741.db2.gz NHABCSBYMVMHQP-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000458215462 530054742 /nfs/dbraw/zinc/05/47/42/530054742.db2.gz NHABCSBYMVMHQP-NSHDSACASA-N 1 1 307.350 1.762 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358335166 299124669 /nfs/dbraw/zinc/12/46/69/299124669.db2.gz ZBKFUNWRLTUXAF-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000272659564 210064124 /nfs/dbraw/zinc/06/41/24/210064124.db2.gz BRSGBXCBIVDJNX-GFCCVEGCSA-N 1 1 319.361 1.740 20 5 DDBDMO C[N@@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000138213331 186014764 /nfs/dbraw/zinc/01/47/64/186014764.db2.gz GRKCEKGCDHCYJO-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO C[N@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000138213331 186014765 /nfs/dbraw/zinc/01/47/65/186014765.db2.gz GRKCEKGCDHCYJO-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO C[N@@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000138213331 186014768 /nfs/dbraw/zinc/01/47/68/186014768.db2.gz GRKCEKGCDHCYJO-UHFFFAOYSA-N 1 1 303.322 1.180 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000287208647 219381926 /nfs/dbraw/zinc/38/19/26/219381926.db2.gz IGJJTNGWMJPGHO-LBPRGKRZSA-N 1 1 320.393 1.845 20 5 DDBDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC1[N+](=O)[O-] ZINC000044521421 352387319 /nfs/dbraw/zinc/38/73/19/352387319.db2.gz FNIXITJXMUASFJ-NWDGAFQWSA-N 1 1 313.423 1.129 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996832 352475890 /nfs/dbraw/zinc/47/58/90/352475890.db2.gz UWLQOFPMZNTXFY-UONOGXRCSA-N 1 1 304.350 1.655 20 5 DDBDMO Cc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000057026675 352795818 /nfs/dbraw/zinc/79/58/18/352795818.db2.gz VAOPKGAGMCZDJK-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000073900367 353277460 /nfs/dbraw/zinc/27/74/60/353277460.db2.gz ZKTKQJIKKXSIKF-CQSZACIVSA-N 1 1 306.366 1.878 20 5 DDBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000078661374 353527010 /nfs/dbraw/zinc/52/70/10/353527010.db2.gz HEKCIOXXIXOMCW-LBPRGKRZSA-N 1 1 302.352 1.714 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000089265453 353763764 /nfs/dbraw/zinc/76/37/64/353763764.db2.gz OLUJPFRONYIQBT-NSHDSACASA-N 1 1 308.338 1.063 20 5 DDBDMO COc1cc(C[N@@H+](CCO)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000092506012 353859812 /nfs/dbraw/zinc/85/98/12/353859812.db2.gz ARJLHKBXBXSQEF-UHFFFAOYSA-N 1 1 310.350 1.816 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000129903800 354087427 /nfs/dbraw/zinc/08/74/27/354087427.db2.gz ITJFZHNJHZWWOT-GWCFXTLKSA-N 1 1 308.338 1.435 20 5 DDBDMO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000129903800 354087432 /nfs/dbraw/zinc/08/74/32/354087432.db2.gz ITJFZHNJHZWWOT-GWCFXTLKSA-N 1 1 308.338 1.435 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000139418043 354127523 /nfs/dbraw/zinc/12/75/23/354127523.db2.gz LAYWJMZDPGZJQN-AWEZNQCLSA-N 1 1 321.381 1.400 20 5 DDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156795822 354221466 /nfs/dbraw/zinc/22/14/66/354221466.db2.gz UBEZHSDJULELLZ-DOMZBBRYSA-N 1 1 321.377 1.363 20 5 DDBDMO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156795822 354221469 /nfs/dbraw/zinc/22/14/69/354221469.db2.gz UBEZHSDJULELLZ-DOMZBBRYSA-N 1 1 321.377 1.363 20 5 DDBDMO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156798663 354221855 /nfs/dbraw/zinc/22/18/55/354221855.db2.gz NOIQEBRKNSMXIU-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000156798663 354221857 /nfs/dbraw/zinc/22/18/57/354221857.db2.gz NOIQEBRKNSMXIU-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1NCCC[NH+]1CCOCC1 ZINC000312660233 354477610 /nfs/dbraw/zinc/47/76/10/354477610.db2.gz WDIRVVOCXVUUDO-UHFFFAOYSA-N 1 1 300.746 1.777 20 5 DDBDMO CC(C)[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587780534 354885634 /nfs/dbraw/zinc/88/56/34/354885634.db2.gz YEOHCNZMCSSVBX-UHFFFAOYSA-N 1 1 321.381 1.537 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000588860629 354943689 /nfs/dbraw/zinc/94/36/89/354943689.db2.gz KIAFLSQLMLJQHT-DZGCQCFKSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H](C)O)CC2)c1 ZINC000589496995 354996117 /nfs/dbraw/zinc/99/61/17/354996117.db2.gz AHCAGJKRQVUJSX-LLVKDONJSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000589494678 354996303 /nfs/dbraw/zinc/99/63/03/354996303.db2.gz XRYAFVJQUSHKMJ-NSHDSACASA-N 1 1 308.334 1.586 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000589494678 354996305 /nfs/dbraw/zinc/99/63/05/354996305.db2.gz XRYAFVJQUSHKMJ-NSHDSACASA-N 1 1 308.334 1.586 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590011105 355040785 /nfs/dbraw/zinc/04/07/85/355040785.db2.gz HUKWCDIBACTPPT-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@H]2[C@@H](CC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590011105 355040787 /nfs/dbraw/zinc/04/07/87/355040787.db2.gz HUKWCDIBACTPPT-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1C[C@H]2[C@@H](CC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000590011105 355040789 /nfs/dbraw/zinc/04/07/89/355040789.db2.gz HUKWCDIBACTPPT-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000494851688 235095944 /nfs/dbraw/zinc/09/59/44/235095944.db2.gz SGIYUXBVSNLYKQ-UHFFFAOYSA-N 1 1 322.409 1.137 20 5 DDBDMO CN(CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000494851688 235095946 /nfs/dbraw/zinc/09/59/46/235095946.db2.gz SGIYUXBVSNLYKQ-UHFFFAOYSA-N 1 1 322.409 1.137 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446390 355099625 /nfs/dbraw/zinc/09/96/25/355099625.db2.gz TVSMNOSSPTXYPE-NOZJJQNGSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+]1C[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446390 355099628 /nfs/dbraw/zinc/09/96/28/355099628.db2.gz TVSMNOSSPTXYPE-NOZJJQNGSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590446390 355099631 /nfs/dbraw/zinc/09/96/31/355099631.db2.gz TVSMNOSSPTXYPE-NOZJJQNGSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@@H]21 ZINC000590720105 355155511 /nfs/dbraw/zinc/15/55/11/355155511.db2.gz MLCASZGKJPDXSV-RNCFNFMXSA-N 1 1 315.333 1.384 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971660 355227441 /nfs/dbraw/zinc/22/74/41/355227441.db2.gz DHGZITCHKUVJBV-NFAWXSAZSA-N 1 1 322.361 1.445 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCNC1CC1 ZINC000591577223 355329829 /nfs/dbraw/zinc/32/98/29/355329829.db2.gz CPJSDIDIILUTIN-NSHDSACASA-N 1 1 306.366 1.654 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cscn2)c1 ZINC000591728817 355372957 /nfs/dbraw/zinc/37/29/57/355372957.db2.gz SDFSDISKNWDLCR-GFCCVEGCSA-N 1 1 309.347 1.581 20 5 DDBDMO CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489678 355598567 /nfs/dbraw/zinc/59/85/67/355598567.db2.gz ZMKOUBPUZMGZFT-QWHCGFSZSA-N 1 1 320.393 1.983 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000593067543 355785680 /nfs/dbraw/zinc/78/56/80/355785680.db2.gz VPQABKZFSHYHGU-HUUCEWRRSA-N 1 1 324.377 1.964 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000593067543 355785682 /nfs/dbraw/zinc/78/56/82/355785682.db2.gz VPQABKZFSHYHGU-HUUCEWRRSA-N 1 1 324.377 1.964 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593070267 355786366 /nfs/dbraw/zinc/78/63/66/355786366.db2.gz VYTWCBRCFGPTNF-LSDHHAIUSA-N 1 1 324.377 1.835 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593188847 355821071 /nfs/dbraw/zinc/82/10/71/355821071.db2.gz RPHPUJJZCQSUDQ-GMTAPVOTSA-N 1 1 309.370 1.039 20 5 DDBDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594063590 356103597 /nfs/dbraw/zinc/10/35/97/356103597.db2.gz IWUUKZBUTQZDGQ-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000594570237 356252853 /nfs/dbraw/zinc/25/28/53/356252853.db2.gz IPBODRLWVUFJQN-LLVKDONJSA-N 1 1 314.288 1.676 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595327870 356450811 /nfs/dbraw/zinc/45/08/11/356450811.db2.gz VJAMMJXPDBPUTI-LBPRGKRZSA-N 1 1 310.354 1.188 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595327870 356450814 /nfs/dbraw/zinc/45/08/14/356450814.db2.gz VJAMMJXPDBPUTI-LBPRGKRZSA-N 1 1 310.354 1.188 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000595477492 356509966 /nfs/dbraw/zinc/50/99/66/356509966.db2.gz UOUQAPAHMKRUCZ-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOCCO)C1CCC1 ZINC000595602938 356571806 /nfs/dbraw/zinc/57/18/06/356571806.db2.gz ZCLGRHUQHJNKLY-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO COc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595742405 356631129 /nfs/dbraw/zinc/63/11/29/356631129.db2.gz GARUDNIRZYTCEU-ATCWAGBWSA-N 1 1 324.377 1.931 20 5 DDBDMO C[C@H]1COC2(CCCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595815620 356661768 /nfs/dbraw/zinc/66/17/68/356661768.db2.gz OTDLWVORBHPVOV-ZDUSSCGKSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595815620 356661770 /nfs/dbraw/zinc/66/17/70/356661770.db2.gz OTDLWVORBHPVOV-ZDUSSCGKSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(COC2)C1 ZINC000595833480 356670461 /nfs/dbraw/zinc/67/04/61/356670461.db2.gz KORNYVQGAPVJAC-LLVKDONJSA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(COC2)C1 ZINC000595833480 356670462 /nfs/dbraw/zinc/67/04/62/356670462.db2.gz KORNYVQGAPVJAC-LLVKDONJSA-N 1 1 305.334 1.644 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595856992 356679546 /nfs/dbraw/zinc/67/95/46/356679546.db2.gz HERBBDFSXKPMRO-IVMMDQJWSA-N 1 1 324.377 1.285 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H]2COC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595826933 356665924 /nfs/dbraw/zinc/66/59/24/356665924.db2.gz BESAWYNBWBZWAS-CHWSQXEVSA-N 1 1 319.361 1.892 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC(CO)(CO)C1 ZINC000597218849 357098325 /nfs/dbraw/zinc/09/83/25/357098325.db2.gz LZYHZANPUFTNPA-NTUHNPAUSA-N 1 1 306.362 1.675 20 5 DDBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000347622523 283243561 /nfs/dbraw/zinc/24/35/61/283243561.db2.gz JAFHLRBBDOVKCB-ZDUSSCGKSA-N 1 1 309.370 1.030 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000597854820 357359235 /nfs/dbraw/zinc/35/92/35/357359235.db2.gz MSPQBEOXKBEUHW-LLVKDONJSA-N 1 1 309.370 1.028 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922500 357382519 /nfs/dbraw/zinc/38/25/19/357382519.db2.gz DXKBIFOBTVBAOG-JTQLQIEISA-N 1 1 309.370 1.239 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000598342080 357543818 /nfs/dbraw/zinc/54/38/18/357543818.db2.gz DKUPRFKMUXLSFR-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599164768 357835576 /nfs/dbraw/zinc/83/55/76/357835576.db2.gz MBKZHRHWEZVVSU-LLVKDONJSA-N 1 1 319.365 1.518 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000599633295 358000118 /nfs/dbraw/zinc/00/01/18/358000118.db2.gz PNUUOOZQBAVLGE-CABCVRRESA-N 1 1 324.402 1.789 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000599633295 358000120 /nfs/dbraw/zinc/00/01/20/358000120.db2.gz PNUUOOZQBAVLGE-CABCVRRESA-N 1 1 324.402 1.789 20 5 DDBDMO Cc1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599695554 358029864 /nfs/dbraw/zinc/02/98/64/358029864.db2.gz MWHITPZXABXGOX-GFCCVEGCSA-N 1 1 308.338 1.091 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000347975829 283313216 /nfs/dbraw/zinc/31/32/16/283313216.db2.gz HZIIGDBQCAKDMB-LBPRGKRZSA-N 1 1 306.366 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599779355 358056500 /nfs/dbraw/zinc/05/65/00/358056500.db2.gz HCSGWDYQEUDRRB-GFCCVEGCSA-N 1 1 308.338 1.091 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600809159 358320817 /nfs/dbraw/zinc/32/08/17/358320817.db2.gz TZKRPVZWSQPUDE-JTQLQIEISA-N 1 1 313.741 1.045 20 5 DDBDMO CCN1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000601142413 358418506 /nfs/dbraw/zinc/41/85/06/358418506.db2.gz QIEDLVHTYWCVSU-UHFFFAOYSA-N 1 1 300.318 1.812 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(O)(CO)CC3)c2c1 ZINC000601194619 358442176 /nfs/dbraw/zinc/44/21/76/358442176.db2.gz LQWWRXVHHYWWKG-UHFFFAOYSA-N 1 1 303.318 1.467 20 5 DDBDMO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(N)=O ZINC000602637652 359090612 /nfs/dbraw/zinc/09/06/12/359090612.db2.gz NUDUBDPYOKPTHU-SCSAIBSYSA-N 1 1 308.157 1.382 20 5 DDBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000602577940 359051982 /nfs/dbraw/zinc/05/19/82/359051982.db2.gz RLQBZOARTZJLIO-ZQJOYCHOSA-N 1 1 322.390 1.917 20 5 DDBDMO CO[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602683816 359123150 /nfs/dbraw/zinc/12/31/50/359123150.db2.gz SWACCMLWHXFSOR-VXGBXAGGSA-N 1 1 320.267 1.805 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602683816 359123153 /nfs/dbraw/zinc/12/31/53/359123153.db2.gz SWACCMLWHXFSOR-VXGBXAGGSA-N 1 1 320.267 1.805 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000602789027 359193375 /nfs/dbraw/zinc/19/33/75/359193375.db2.gz WPSMSCLYYFODSE-UHFFFAOYSA-N 1 1 316.361 1.906 20 5 DDBDMO COC(=O)CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(C)C ZINC000602767096 359176350 /nfs/dbraw/zinc/17/63/50/359176350.db2.gz VSAFZGLHJNTJIY-UHFFFAOYSA-N 1 1 312.370 1.621 20 5 DDBDMO O=c1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc[nH]1 ZINC000602837880 359227967 /nfs/dbraw/zinc/22/79/67/359227967.db2.gz PNIDXPHNTMEUTC-UHFFFAOYSA-N 1 1 315.333 1.413 20 5 DDBDMO COC(=O)C1([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602798934 359200414 /nfs/dbraw/zinc/20/04/14/359200414.db2.gz YUUOMNHULVDSJB-UHFFFAOYSA-N 1 1 310.354 1.517 20 5 DDBDMO COC(=O)C1([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000602798934 359200418 /nfs/dbraw/zinc/20/04/18/359200418.db2.gz YUUOMNHULVDSJB-UHFFFAOYSA-N 1 1 310.354 1.517 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602823132 359217387 /nfs/dbraw/zinc/21/73/87/359217387.db2.gz YUGJCAGSRPPTMG-UKRRQHHQSA-N 1 1 324.381 1.370 20 5 DDBDMO Cn1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602823746 359218899 /nfs/dbraw/zinc/21/88/99/359218899.db2.gz CUIVTDNUZCGRRQ-MRXNPFEDSA-N 1 1 316.361 1.642 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602825507 359220079 /nfs/dbraw/zinc/22/00/79/359220079.db2.gz CFQVTGNSUBDLGZ-ZDUSSCGKSA-N 1 1 323.397 1.480 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901552 359283396 /nfs/dbraw/zinc/28/33/96/359283396.db2.gz ZZASTAKXRNCCNN-SWLSCSKDSA-N 1 1 310.350 1.311 20 5 DDBDMO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000603428644 359634812 /nfs/dbraw/zinc/63/48/12/359634812.db2.gz KUPMIBYDHRBWCQ-CYBMUJFWSA-N 1 1 307.398 1.540 20 5 DDBDMO CNC(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188496033 200256441 /nfs/dbraw/zinc/25/64/41/200256441.db2.gz BWPKEHLASUVOFI-UHFFFAOYSA-N 1 1 322.365 1.089 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609269558 360285405 /nfs/dbraw/zinc/28/54/05/360285405.db2.gz UAONIOPJQPNDGO-LBPRGKRZSA-N 1 1 307.350 1.435 20 5 DDBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000609269896 360285537 /nfs/dbraw/zinc/28/55/37/360285537.db2.gz ZDPHISSCBIJCJB-CQSZACIVSA-N 1 1 321.377 1.744 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609279557 360287504 /nfs/dbraw/zinc/28/75/04/360287504.db2.gz JRIQMJQZOOLONE-ZDUSSCGKSA-N 1 1 322.365 1.827 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccsc3[N+](=O)[O-])CC2)C1 ZINC000609674473 360343178 /nfs/dbraw/zinc/34/31/78/360343178.db2.gz HBJMZBRFGZRJHO-GFCCVEGCSA-N 1 1 310.423 1.873 20 5 DDBDMO Cc1nccc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000610485029 360447503 /nfs/dbraw/zinc/44/75/03/360447503.db2.gz ZTJODGNTFQBSTG-CYBMUJFWSA-N 1 1 316.365 1.769 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000610571772 360472383 /nfs/dbraw/zinc/47/23/83/360472383.db2.gz NQZUPMMCYGSXOF-CQSZACIVSA-N 1 1 310.350 1.685 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000610514158 360457405 /nfs/dbraw/zinc/45/74/05/360457405.db2.gz AJZPNRVVLBMBMV-CQSZACIVSA-N 1 1 321.377 1.904 20 5 DDBDMO O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762770 360530976 /nfs/dbraw/zinc/53/09/76/360530976.db2.gz UDRNEYHHSZMTFO-TZMCWYRMSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(C[N@H+]1C[C@H]2CCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610762770 360530981 /nfs/dbraw/zinc/53/09/81/360530981.db2.gz UDRNEYHHSZMTFO-TZMCWYRMSA-N 1 1 301.346 1.968 20 5 DDBDMO O=C(CC[N@H+]1CCc2c[nH]nc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611008783 360599982 /nfs/dbraw/zinc/59/99/82/360599982.db2.gz KOYFXAVTIPDMTE-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO O=C(CC[N@@H+]1CCc2cn[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611008783 360599983 /nfs/dbraw/zinc/59/99/83/360599983.db2.gz KOYFXAVTIPDMTE-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO O=C(CC[N@H+]1CCc2cn[nH]c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611008783 360599985 /nfs/dbraw/zinc/59/99/85/360599985.db2.gz KOYFXAVTIPDMTE-UHFFFAOYSA-N 1 1 315.333 1.705 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000611088480 360620101 /nfs/dbraw/zinc/62/01/01/360620101.db2.gz YXKGVFQFWIPSRX-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000611088480 360620104 /nfs/dbraw/zinc/62/01/04/360620104.db2.gz YXKGVFQFWIPSRX-SNVBAGLBSA-N 1 1 321.333 1.490 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611263732 360682978 /nfs/dbraw/zinc/68/29/78/360682978.db2.gz CZYQWDXEQVCRMX-UHFFFAOYSA-N 1 1 324.333 1.751 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281287260 216212587 /nfs/dbraw/zinc/21/25/87/216212587.db2.gz GTLNBITZTVPLCQ-HUUCEWRRSA-N 1 1 324.377 1.835 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c2c(c1)COCO2 ZINC000612134114 360928773 /nfs/dbraw/zinc/92/87/73/360928773.db2.gz GSJRKLHXOVSRQX-LKTVYLICSA-N 1 1 320.345 1.664 20 5 DDBDMO CC1(CO)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000613043361 361251987 /nfs/dbraw/zinc/25/19/87/361251987.db2.gz ZJZPTJQBVLKCIT-UHFFFAOYSA-N 1 1 322.361 1.960 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252418 363945852 /nfs/dbraw/zinc/94/58/52/363945852.db2.gz KYKRSZAHBNJPOE-UWVGGRQHSA-N 1 1 313.354 1.915 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000293041671 223366854 /nfs/dbraw/zinc/36/68/54/223366854.db2.gz SIFLOJPBDFODPC-OAHLLOKOSA-N 1 1 317.349 1.516 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000293041671 223366856 /nfs/dbraw/zinc/36/68/56/223366856.db2.gz SIFLOJPBDFODPC-OAHLLOKOSA-N 1 1 317.349 1.516 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](CC=Cc1ccccc1[N+](=O)[O-])C2 ZINC000274974940 212052204 /nfs/dbraw/zinc/05/22/04/212052204.db2.gz WSHVOHGALCFBTK-HWKANZROSA-N 1 1 312.329 1.750 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000566458979 304160894 /nfs/dbraw/zinc/16/08/94/304160894.db2.gz ZORIYEPEGZBEBZ-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000264641021 204047963 /nfs/dbraw/zinc/04/79/63/204047963.db2.gz BWPBBGBLWYNIBY-NSHDSACASA-N 1 1 323.397 1.875 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000288243903 220039427 /nfs/dbraw/zinc/03/94/27/220039427.db2.gz DUBJXGUIZFLICF-CYBMUJFWSA-N 1 1 321.377 1.835 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000266421459 205334351 /nfs/dbraw/zinc/33/43/51/205334351.db2.gz ARLODDCNTPJGML-MRVPVSSYSA-N 1 1 305.256 1.924 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288490005 220175469 /nfs/dbraw/zinc/17/54/69/220175469.db2.gz ROIRPQDEJWBKOD-GHMZBOCLSA-N 1 1 321.381 1.579 20 5 DDBDMO C[N@@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000338889655 250183535 /nfs/dbraw/zinc/18/35/35/250183535.db2.gz IIZARROGGLISIJ-UHFFFAOYSA-N 1 1 302.334 1.900 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273764919 211038622 /nfs/dbraw/zinc/03/86/22/211038622.db2.gz PSROXLNKMUHJPH-CQSZACIVSA-N 1 1 318.377 1.939 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000109849691 194294207 /nfs/dbraw/zinc/29/42/07/194294207.db2.gz BGWMDYGRGUEWBB-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO CC[C@]1(C)COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871827 251253931 /nfs/dbraw/zinc/25/39/31/251253931.db2.gz CXSDYYZHWCYEMM-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@]1(C)COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000340871827 251253934 /nfs/dbraw/zinc/25/39/34/251253934.db2.gz CXSDYYZHWCYEMM-GOEBONIOSA-N 1 1 324.377 1.835 20 5 DDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000340968971 251310105 /nfs/dbraw/zinc/31/01/05/251310105.db2.gz DBCWWZJCCVILRK-LBPRGKRZSA-N 1 1 319.361 1.717 20 5 DDBDMO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000341004209 251330011 /nfs/dbraw/zinc/33/00/11/251330011.db2.gz AMLIPNGNJFPAGQ-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1O ZINC000341004209 251330013 /nfs/dbraw/zinc/33/00/13/251330013.db2.gz AMLIPNGNJFPAGQ-FZMZJTMJSA-N 1 1 307.350 1.544 20 5 DDBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000425007373 533092639 /nfs/dbraw/zinc/09/26/39/533092639.db2.gz ZGYBFKBCNWYAMO-UHFFFAOYSA-N 1 1 324.381 1.116 20 5 DDBDMO CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271152510 208663889 /nfs/dbraw/zinc/66/38/89/208663889.db2.gz ITQUOXXUPVTEFU-CQSZACIVSA-N 1 1 309.366 1.332 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186687422 285189518 /nfs/dbraw/zinc/18/95/18/285189518.db2.gz BPXUSMKUXCGTKN-MRXNPFEDSA-N 1 1 314.345 1.923 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1O ZINC000352657976 285202531 /nfs/dbraw/zinc/20/25/31/285202531.db2.gz CPNFMVGJLPMTBJ-QWHCGFSZSA-N 1 1 318.333 1.990 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422718202 533221909 /nfs/dbraw/zinc/22/19/09/533221909.db2.gz PIEMKJNPXZSSRX-HZPDHXFCSA-N 1 1 321.377 1.460 20 5 DDBDMO C[C@H](NC(=O)NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417128310 533630363 /nfs/dbraw/zinc/63/03/63/533630363.db2.gz IAKYPRIMDMNACQ-QMMMGPOBSA-N 1 1 302.281 1.549 20 5 DDBDMO C[C@@H](O)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353528655 285786856 /nfs/dbraw/zinc/78/68/56/285786856.db2.gz OLRUYFITWCWUOA-BXUZGUMPSA-N 1 1 304.350 1.778 20 5 DDBDMO Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cnc[nH]2)c1[N+](=O)[O-] ZINC000579733166 422827224 /nfs/dbraw/zinc/82/72/24/422827224.db2.gz IRQHXZOBBYGCIP-UHFFFAOYSA-N 1 1 324.362 1.755 20 5 DDBDMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)c2nonc21 ZINC000015206722 406879545 /nfs/dbraw/zinc/87/95/45/406879545.db2.gz AHEMIUVVYXNQKC-UHFFFAOYSA-N 1 1 307.310 1.265 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000071794361 406842370 /nfs/dbraw/zinc/84/23/70/406842370.db2.gz CXIGFPVFGCSJGP-HIFRSBDPSA-N 1 1 324.377 1.571 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000076299723 406962538 /nfs/dbraw/zinc/96/25/38/406962538.db2.gz QBCZRMUIVXAVIG-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000076299723 406962541 /nfs/dbraw/zinc/96/25/41/406962541.db2.gz QBCZRMUIVXAVIG-ZDUSSCGKSA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000078639874 407037189 /nfs/dbraw/zinc/03/71/89/407037189.db2.gz DFXLLUPQKHTNFG-QMMMGPOBSA-N 1 1 306.771 1.771 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066835224 407260147 /nfs/dbraw/zinc/26/01/47/407260147.db2.gz XYORAEABXDJNPV-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000066835224 407260149 /nfs/dbraw/zinc/26/01/49/407260149.db2.gz XYORAEABXDJNPV-NSHDSACASA-N 1 1 308.334 1.988 20 5 DDBDMO C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000123963508 407344170 /nfs/dbraw/zinc/34/41/70/407344170.db2.gz KFCVBOGQZZBZII-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO COC[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265822722 407469182 /nfs/dbraw/zinc/46/91/82/407469182.db2.gz SFFZMFDQGPCZGC-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO COc1cc(OCC(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000114675591 407596287 /nfs/dbraw/zinc/59/62/87/407596287.db2.gz VPQHHLKEZMZNIL-UHFFFAOYSA-N 1 1 323.349 1.146 20 5 DDBDMO CCOC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266959743 407692237 /nfs/dbraw/zinc/69/22/37/407692237.db2.gz WHFLTKSBKCPFMT-UHFFFAOYSA-N 1 1 308.334 1.485 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186775444 407770370 /nfs/dbraw/zinc/77/03/70/407770370.db2.gz WRJBQPODGKRFPX-UHFFFAOYSA-N 1 1 307.350 1.628 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186844194 407783779 /nfs/dbraw/zinc/78/37/79/407783779.db2.gz HDCBNFZNMDSCTB-GMXABZIVSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000186844194 407783781 /nfs/dbraw/zinc/78/37/81/407783781.db2.gz HDCBNFZNMDSCTB-GMXABZIVSA-N 1 1 321.377 1.933 20 5 DDBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(N)=O)o2)c([N+](=O)[O-])c1 ZINC000237288630 407809182 /nfs/dbraw/zinc/80/91/82/407809182.db2.gz RKESGYHKQZQBFS-SECBINFHSA-N 1 1 319.317 1.827 20 5 DDBDMO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187727828 407883544 /nfs/dbraw/zinc/88/35/44/407883544.db2.gz YGIRYTXGFJISRV-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187727828 407883553 /nfs/dbraw/zinc/88/35/53/407883553.db2.gz YGIRYTXGFJISRV-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187727828 407883557 /nfs/dbraw/zinc/88/35/57/407883557.db2.gz YGIRYTXGFJISRV-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268278936 407982570 /nfs/dbraw/zinc/98/25/70/407982570.db2.gz WUSBWOKCUIEELZ-GWCFXTLKSA-N 1 1 321.381 1.089 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181663481 408025462 /nfs/dbraw/zinc/02/54/62/408025462.db2.gz NLAFWVDQLQAKAA-SNVBAGLBSA-N 1 1 321.333 1.395 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154747723 408078026 /nfs/dbraw/zinc/07/80/26/408078026.db2.gz SAEWQPORRKZVSO-LLVKDONJSA-N 1 1 314.345 1.967 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000175250752 408088263 /nfs/dbraw/zinc/08/82/63/408088263.db2.gz UGQAPVYUGKRRDD-GFCCVEGCSA-N 1 1 307.350 1.561 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(O)CCOCC1 ZINC000189776713 408103000 /nfs/dbraw/zinc/10/30/00/408103000.db2.gz LZXWVSHQXPBYRN-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000151100540 408255851 /nfs/dbraw/zinc/25/58/51/408255851.db2.gz YPRSQQCYOKACRS-LBPRGKRZSA-N 1 1 306.366 1.559 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246284900 408203606 /nfs/dbraw/zinc/20/36/06/408203606.db2.gz XESUDVFLGSKCDT-GHMZBOCLSA-N 1 1 322.365 1.236 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328125 408270021 /nfs/dbraw/zinc/27/00/21/408270021.db2.gz DMSYRUHWKIRJJX-QWRGUYRKSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328125 408270026 /nfs/dbraw/zinc/27/00/26/408270026.db2.gz DMSYRUHWKIRJJX-QWRGUYRKSA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000269328125 408270032 /nfs/dbraw/zinc/27/00/32/408270032.db2.gz DMSYRUHWKIRJJX-QWRGUYRKSA-N 1 1 321.381 1.750 20 5 DDBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176210438 408309269 /nfs/dbraw/zinc/30/92/69/408309269.db2.gz SIZWUWPDOLROML-CYBMUJFWSA-N 1 1 321.381 1.030 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000246908159 408364795 /nfs/dbraw/zinc/36/47/95/408364795.db2.gz RPYCQNDTIORNGG-FRRDWIJNSA-N 1 1 310.354 1.060 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)[C@H]2C1 ZINC000246908159 408364801 /nfs/dbraw/zinc/36/48/01/408364801.db2.gz RPYCQNDTIORNGG-FRRDWIJNSA-N 1 1 310.354 1.060 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270414113 408526475 /nfs/dbraw/zinc/52/64/75/408526475.db2.gz SCHDRSYYDYRGBY-OAHLLOKOSA-N 1 1 320.393 1.921 20 5 DDBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000191666485 408468002 /nfs/dbraw/zinc/46/80/02/408468002.db2.gz OYQCLZHTIPLASC-MRXNPFEDSA-N 1 1 323.393 1.630 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247410647 408468907 /nfs/dbraw/zinc/46/89/07/408468907.db2.gz NFQPZUUGNMGDEL-TZMCWYRMSA-N 1 1 305.378 1.936 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000264680832 408544603 /nfs/dbraw/zinc/54/46/03/408544603.db2.gz PFOULJVORCDCCB-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000264680832 408544605 /nfs/dbraw/zinc/54/46/05/408544605.db2.gz PFOULJVORCDCCB-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000264680832 408544610 /nfs/dbraw/zinc/54/46/10/408544610.db2.gz PFOULJVORCDCCB-JTQLQIEISA-N 1 1 309.370 1.294 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000270492124 408550749 /nfs/dbraw/zinc/55/07/49/408550749.db2.gz ATWDHSSXBDMVHX-CYBMUJFWSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000270492124 408550753 /nfs/dbraw/zinc/55/07/53/408550753.db2.gz ATWDHSSXBDMVHX-CYBMUJFWSA-N 1 1 319.361 1.800 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000270544555 408572845 /nfs/dbraw/zinc/57/28/45/408572845.db2.gz MBWJOXNFVCFQGS-HUUCEWRRSA-N 1 1 317.349 1.384 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184229433 408572939 /nfs/dbraw/zinc/57/29/39/408572939.db2.gz PLGXTWGVGPYFOX-SECBINFHSA-N 1 1 313.329 1.556 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000248478435 408577571 /nfs/dbraw/zinc/57/75/71/408577571.db2.gz ZGOFVNJCMWRHLN-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO COC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265204225 408578671 /nfs/dbraw/zinc/57/86/71/408578671.db2.gz UKCIPGSZZPPZPX-LBPRGKRZSA-N 1 1 307.350 1.388 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+]1CCOC ZINC000265319938 408613086 /nfs/dbraw/zinc/61/30/86/408613086.db2.gz KNMQHKBVAIBYQP-NSHDSACASA-N 1 1 311.338 1.371 20 5 DDBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1CCOC ZINC000265319938 408613092 /nfs/dbraw/zinc/61/30/92/408613092.db2.gz KNMQHKBVAIBYQP-NSHDSACASA-N 1 1 311.338 1.371 20 5 DDBDMO CC(C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000192772068 408643735 /nfs/dbraw/zinc/64/37/35/408643735.db2.gz VAXRZWNHCYKEPM-OAHLLOKOSA-N 1 1 308.382 1.946 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000270872995 408720251 /nfs/dbraw/zinc/72/02/51/408720251.db2.gz JLEMJKCGSARHGN-ZDUSSCGKSA-N 1 1 319.361 1.670 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249507528 408733633 /nfs/dbraw/zinc/73/36/33/408733633.db2.gz LKVRLXFUBPWPED-OLZOCXBDSA-N 1 1 323.393 1.490 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000185338656 408797996 /nfs/dbraw/zinc/79/79/96/408797996.db2.gz XDZFPCKEJOJPDB-UHFFFAOYSA-N 1 1 310.354 1.339 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000168307105 408818711 /nfs/dbraw/zinc/81/87/11/408818711.db2.gz NDYSOTJPMMEURY-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000285912850 408887058 /nfs/dbraw/zinc/88/70/58/408887058.db2.gz ZECFFXYIXNLSNO-LLVKDONJSA-N 1 1 309.370 1.416 20 5 DDBDMO C[N@H+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000281718686 408916464 /nfs/dbraw/zinc/91/64/64/408916464.db2.gz IINPGMVVBFWKGN-UHFFFAOYSA-N 1 1 320.393 1.351 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000277362801 408926372 /nfs/dbraw/zinc/92/63/72/408926372.db2.gz CKBMXQOAIOQJFW-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCF ZINC000281832928 408937489 /nfs/dbraw/zinc/93/74/89/408937489.db2.gz ABQWWGSZXURJNI-MRVPVSSYSA-N 1 1 303.721 1.812 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC000286332328 408965219 /nfs/dbraw/zinc/96/52/19/408965219.db2.gz BKJHXSYMOLICTC-SECBINFHSA-N 1 1 308.338 1.671 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292078771 408975516 /nfs/dbraw/zinc/97/55/16/408975516.db2.gz FLJCKMZLTQYALI-HOTGVXAUSA-N 1 1 305.378 1.656 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277613994 408977679 /nfs/dbraw/zinc/97/76/79/408977679.db2.gz BBEMLJBQTNVZGQ-UHFFFAOYSA-N 1 1 320.353 1.222 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286447334 408986904 /nfs/dbraw/zinc/98/69/04/408986904.db2.gz JQPMKXHCGYSHGD-LERXQTSPSA-N 1 1 307.350 1.767 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287304866 409016565 /nfs/dbraw/zinc/01/65/65/409016565.db2.gz LOEOOZAHOHWQPG-SECBINFHSA-N 1 1 322.394 1.257 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000277895385 409030209 /nfs/dbraw/zinc/03/02/09/409030209.db2.gz GDRCOEPNCLMJOQ-SNVBAGLBSA-N 1 1 309.370 1.483 20 5 DDBDMO CC(C)[C@]1(CO)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000293241511 409074357 /nfs/dbraw/zinc/07/43/57/409074357.db2.gz YYSOWAHRKPNYKB-MRXNPFEDSA-N 1 1 323.393 1.487 20 5 DDBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000278398491 409080393 /nfs/dbraw/zinc/08/03/93/409080393.db2.gz WCFCSRITTLIYLB-GDBMZVCRSA-N 1 1 324.377 1.441 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293797181 409181879 /nfs/dbraw/zinc/18/18/79/409181879.db2.gz XXOOKENUVQHEKS-IUODEOHRSA-N 1 1 321.377 1.430 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294017886 409226484 /nfs/dbraw/zinc/22/64/84/409226484.db2.gz QGVSHFHNWMBGGZ-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294017886 409226488 /nfs/dbraw/zinc/22/64/88/409226488.db2.gz QGVSHFHNWMBGGZ-AOOOYVTPSA-N 1 1 309.370 1.435 20 5 DDBDMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293926784 409207924 /nfs/dbraw/zinc/20/79/24/409207924.db2.gz HNJXYKXBBJMSCP-TXEJJXNPSA-N 1 1 306.366 1.558 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC[C@@](C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280275886 409283122 /nfs/dbraw/zinc/28/31/22/409283122.db2.gz YNEVBANIAGAOLW-MRXNPFEDSA-N 1 1 321.377 1.795 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295083734 409315798 /nfs/dbraw/zinc/31/57/98/409315798.db2.gz RMVOBGIQMXOMLI-NSHDSACASA-N 1 1 309.370 1.606 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000319187105 164034880 /nfs/dbraw/zinc/03/48/80/164034880.db2.gz OSBAEQIEXGKSQB-NXEZZACHSA-N 1 1 308.338 1.671 20 5 DDBDMO COC(=O)c1cc(OC[C@H](O)C[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000290750587 409508418 /nfs/dbraw/zinc/50/84/18/409508418.db2.gz ISCFUJJJPHANIL-LLVKDONJSA-N 1 1 324.333 1.215 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000342452882 409643158 /nfs/dbraw/zinc/64/31/58/409643158.db2.gz QPLOYVQMBSLFLY-DGCLKSJQSA-N 1 1 319.361 1.573 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000356835252 409646629 /nfs/dbraw/zinc/64/66/29/409646629.db2.gz BLKAMKFRESEIQY-NWDGAFQWSA-N 1 1 307.350 1.525 20 5 DDBDMO COc1cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000342630490 409775331 /nfs/dbraw/zinc/77/53/31/409775331.db2.gz FKWJIRCJPGGSPN-CFMSYZGJSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000342630490 409775338 /nfs/dbraw/zinc/77/53/38/409775338.db2.gz FKWJIRCJPGGSPN-CFMSYZGJSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412982 409826137 /nfs/dbraw/zinc/82/61/37/409826137.db2.gz ZMTAPUSKLHXABR-GWCFXTLKSA-N 1 1 310.350 1.815 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000349412982 409826144 /nfs/dbraw/zinc/82/61/44/409826144.db2.gz ZMTAPUSKLHXABR-GWCFXTLKSA-N 1 1 310.350 1.815 20 5 DDBDMO Cc1[nH+]ccn1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000342658783 409796172 /nfs/dbraw/zinc/79/61/72/409796172.db2.gz CTTLCRUIPXHELP-UHFFFAOYSA-N 1 1 300.274 1.396 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319630 409913949 /nfs/dbraw/zinc/91/39/49/409913949.db2.gz CMGLOKKIDHYPHZ-JKOKRWQUSA-N 1 1 322.361 1.815 20 5 DDBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000354450204 409865613 /nfs/dbraw/zinc/86/56/13/409865613.db2.gz JXTMVVOUERYFPW-CYBMUJFWSA-N 1 1 312.391 1.504 20 5 DDBDMO CCC(=O)N[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000354675092 410009172 /nfs/dbraw/zinc/00/91/72/410009172.db2.gz GLSKJLTUEUKKIY-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000354675092 410009181 /nfs/dbraw/zinc/00/91/81/410009181.db2.gz GLSKJLTUEUKKIY-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000571396121 304458373 /nfs/dbraw/zinc/45/83/73/304458373.db2.gz FCYKVIXEEOATOX-ZDUSSCGKSA-N 1 1 315.333 1.115 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+]1C ZINC000332695036 410218005 /nfs/dbraw/zinc/21/80/05/410218005.db2.gz RJERJTBNEAAPTB-ONGXEEELSA-N 1 1 321.333 1.536 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817062 410259272 /nfs/dbraw/zinc/25/92/72/410259272.db2.gz UEMHOAMURUYANV-GBIKHYSHSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817062 410259280 /nfs/dbraw/zinc/25/92/80/410259280.db2.gz UEMHOAMURUYANV-GBIKHYSHSA-N 1 1 323.349 1.243 20 5 DDBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000298571327 410293926 /nfs/dbraw/zinc/29/39/26/410293926.db2.gz QIBDNNVVSNBAOP-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298784507 410397701 /nfs/dbraw/zinc/39/77/01/410397701.db2.gz YQRNYRNHFXQZCG-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298784507 410397707 /nfs/dbraw/zinc/39/77/07/410397707.db2.gz YQRNYRNHFXQZCG-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000343463244 410475003 /nfs/dbraw/zinc/47/50/03/410475003.db2.gz UPHOZFAEEILLOA-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000358295507 410441893 /nfs/dbraw/zinc/44/18/93/410441893.db2.gz BRBMLXOIMXDKGO-ZDUSSCGKSA-N 1 1 317.292 1.675 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343525034 410508762 /nfs/dbraw/zinc/50/87/62/410508762.db2.gz LSZZEVSEIMJNMJ-JQWIXIFHSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299247952 410582927 /nfs/dbraw/zinc/58/29/27/410582927.db2.gz XWNOFEASLYBYQX-LBPRGKRZSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299247952 410582932 /nfs/dbraw/zinc/58/29/32/410582932.db2.gz XWNOFEASLYBYQX-LBPRGKRZSA-N 1 1 313.379 1.276 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000340088159 410665828 /nfs/dbraw/zinc/66/58/28/410665828.db2.gz IOHJJXLZKQLDTC-CYBMUJFWSA-N 1 1 318.377 1.673 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CC2)CC1 ZINC000301080538 410653029 /nfs/dbraw/zinc/65/30/29/410653029.db2.gz HSDQTQFFXUSHRC-UHFFFAOYSA-N 1 1 304.350 1.239 20 5 DDBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000301301643 410695157 /nfs/dbraw/zinc/69/51/57/410695157.db2.gz RKKUVLFDLJKLEJ-ZDUSSCGKSA-N 1 1 305.382 1.206 20 5 DDBDMO Cc1ccnc(N2CCC[N@H+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301369505 410709183 /nfs/dbraw/zinc/70/91/83/410709183.db2.gz PHWXIJMHWHXBOX-UHFFFAOYSA-N 1 1 320.393 1.989 20 5 DDBDMO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000359533384 410713748 /nfs/dbraw/zinc/71/37/48/410713748.db2.gz AFCSYKBEFBUAQV-ZJUUUORDSA-N 1 1 321.337 1.770 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330575841 410792185 /nfs/dbraw/zinc/79/21/85/410792185.db2.gz GEEHLZVIRMOIPO-CHWSQXEVSA-N 1 1 320.393 1.866 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330597690 410810744 /nfs/dbraw/zinc/81/07/44/410810744.db2.gz SJQMLWYEKVHNTN-VXGBXAGGSA-N 1 1 307.350 1.525 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000330607323 410820568 /nfs/dbraw/zinc/82/05/68/410820568.db2.gz LMRNKWVMHAOSGO-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000330607323 410820577 /nfs/dbraw/zinc/82/05/77/410820577.db2.gz LMRNKWVMHAOSGO-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330836109 410896341 /nfs/dbraw/zinc/89/63/41/410896341.db2.gz KMIAPKLTJKLNKR-DYEKYZERSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330836108 410897106 /nfs/dbraw/zinc/89/71/06/410897106.db2.gz KMIAPKLTJKLNKR-BZPMIXESSA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344117206 410966323 /nfs/dbraw/zinc/96/63/23/410966323.db2.gz BLLUILYXXDOUDF-UMVBOHGHSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000344349939 411095021 /nfs/dbraw/zinc/09/50/21/411095021.db2.gz KXMLGWSCCXMGLC-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000344349939 411095024 /nfs/dbraw/zinc/09/50/24/411095024.db2.gz KXMLGWSCCXMGLC-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@H]2CCc3[nH+]ccn3C2)n1 ZINC000350892675 306758894 /nfs/dbraw/zinc/75/88/94/306758894.db2.gz SYIQOZSEFWCPNU-QMMMGPOBSA-N 1 1 315.293 1.305 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188823663 222028792 /nfs/dbraw/zinc/02/87/92/222028792.db2.gz XUBNRWRDDRFULA-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188823663 222028794 /nfs/dbraw/zinc/02/87/94/222028794.db2.gz XUBNRWRDDRFULA-LBPRGKRZSA-N 1 1 322.365 1.434 20 5 DDBDMO C[C@H]1CCOCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992224 418585371 /nfs/dbraw/zinc/58/53/71/418585371.db2.gz WLEHDDKDNVWDMB-JSGCOSHPSA-N 1 1 310.350 1.445 20 5 DDBDMO CO[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361355984 418633368 /nfs/dbraw/zinc/63/33/68/418633368.db2.gz KHLMITUNAQEBIN-GFCCVEGCSA-N 1 1 304.306 1.866 20 5 DDBDMO CO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000361355984 418633370 /nfs/dbraw/zinc/63/33/70/418633370.db2.gz KHLMITUNAQEBIN-GFCCVEGCSA-N 1 1 304.306 1.866 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC1 ZINC000361579495 418684788 /nfs/dbraw/zinc/68/47/88/418684788.db2.gz WFJRXQIQUXCZLL-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC1 ZINC000361579495 418684790 /nfs/dbraw/zinc/68/47/90/418684790.db2.gz WFJRXQIQUXCZLL-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368138690 418695188 /nfs/dbraw/zinc/69/51/88/418695188.db2.gz KJLVTPWBKGNQCR-CQSZACIVSA-N 1 1 301.350 1.751 20 5 DDBDMO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000382486475 418731288 /nfs/dbraw/zinc/73/12/88/418731288.db2.gz GTGOHOPRRAUTAQ-BDAKNGLRSA-N 1 1 317.342 1.140 20 5 DDBDMO C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000411430315 418904221 /nfs/dbraw/zinc/90/42/21/418904221.db2.gz OALBNPRODBTTJM-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430315 418904225 /nfs/dbraw/zinc/90/42/25/418904225.db2.gz OALBNPRODBTTJM-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411430315 418904226 /nfs/dbraw/zinc/90/42/26/418904226.db2.gz OALBNPRODBTTJM-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(CC[N@@H+]1CCCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411167300 418876065 /nfs/dbraw/zinc/87/60/65/418876065.db2.gz NXBMBFKVQNSPNS-CQSZACIVSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000411413825 418901483 /nfs/dbraw/zinc/90/14/83/418901483.db2.gz AONLDTWRLPHYJY-CMPLNLGQSA-N 1 1 323.349 1.387 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000417859244 419357006 /nfs/dbraw/zinc/35/70/06/419357006.db2.gz VWFCIRVJWGHFEV-VIFPVBQESA-N 1 1 316.308 1.857 20 5 DDBDMO COC[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411914999 419484407 /nfs/dbraw/zinc/48/44/07/419484407.db2.gz VLCKHGDNBKUVJI-KBPBESRZSA-N 1 1 323.349 1.005 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000427597694 419691668 /nfs/dbraw/zinc/69/16/68/419691668.db2.gz XIMOIRKXSVPUJC-CYBMUJFWSA-N 1 1 319.361 1.912 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]([NH3+])C1CC1 ZINC000414884731 419858173 /nfs/dbraw/zinc/85/81/73/419858173.db2.gz FZHOVYGFGKOITK-IINYFYTJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](N)C1CC1 ZINC000414884731 419858180 /nfs/dbraw/zinc/85/81/80/419858180.db2.gz FZHOVYGFGKOITK-IINYFYTJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000429005575 419961362 /nfs/dbraw/zinc/96/13/62/419961362.db2.gz MNMRJNRJCPYETF-FRRDWIJNSA-N 1 1 307.398 1.490 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(N)=O)CC1 ZINC000430200878 420090867 /nfs/dbraw/zinc/09/08/67/420090867.db2.gz BEPLPRALZSHDBY-UHFFFAOYSA-N 1 1 308.338 1.236 20 5 DDBDMO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CN ZINC000420290195 420185089 /nfs/dbraw/zinc/18/50/89/420185089.db2.gz LMSPBEDFMLCXRQ-SWLSCSKDSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CN ZINC000420290195 420185091 /nfs/dbraw/zinc/18/50/91/420185091.db2.gz LMSPBEDFMLCXRQ-SWLSCSKDSA-N 1 1 320.393 1.983 20 5 DDBDMO CCC[C@@H]1CNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308702 420195560 /nfs/dbraw/zinc/19/55/60/420195560.db2.gz NWWKLTRLBDYFCK-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO CCC[C@@H]1CNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420308702 420195564 /nfs/dbraw/zinc/19/55/64/420195564.db2.gz NWWKLTRLBDYFCK-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CN)C1CC1 ZINC000420312958 420201087 /nfs/dbraw/zinc/20/10/87/420201087.db2.gz JHWRWCLHTCGQOY-CQSZACIVSA-N 1 1 306.366 1.593 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CN)C1CC1 ZINC000420312958 420201091 /nfs/dbraw/zinc/20/10/91/420201091.db2.gz JHWRWCLHTCGQOY-CQSZACIVSA-N 1 1 306.366 1.593 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430940741 420215244 /nfs/dbraw/zinc/21/52/44/420215244.db2.gz QVIWFIOZHAPQQT-NEPJUHHUSA-N 1 1 306.366 1.593 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000420391298 420257838 /nfs/dbraw/zinc/25/78/38/420257838.db2.gz RXRKDVFVJUGOAQ-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430946077 420218486 /nfs/dbraw/zinc/21/84/86/420218486.db2.gz YYXIOKUZANYTAX-OCCSQVGLSA-N 1 1 320.393 1.901 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000424015910 420306692 /nfs/dbraw/zinc/30/66/92/420306692.db2.gz NIMYRURNZZBLPF-UWVGGRQHSA-N 1 1 309.370 1.327 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000420590583 420325472 /nfs/dbraw/zinc/32/54/72/420325472.db2.gz VUFNGXOBNLBSIO-GHMZBOCLSA-N 1 1 304.350 1.732 20 5 DDBDMO COC(=O)c1cnc(N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000420643887 420340482 /nfs/dbraw/zinc/34/04/82/420340482.db2.gz XPYUJPGSWOFAHT-NSHDSACASA-N 1 1 308.338 1.307 20 5 DDBDMO Cc1cc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302521283 230281686 /nfs/dbraw/zinc/28/16/86/230281686.db2.gz ITVOOOVPJJDDQT-GFCCVEGCSA-N 1 1 308.382 1.580 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492384913 420541743 /nfs/dbraw/zinc/54/17/43/420541743.db2.gz HBKMBITUWLKJSG-WAYWQWQTSA-N 1 1 301.346 1.986 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456980610 420580419 /nfs/dbraw/zinc/58/04/19/420580419.db2.gz DDCGZWPXJZWXSV-CYBMUJFWSA-N 1 1 300.318 1.710 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451300862 420596895 /nfs/dbraw/zinc/59/68/95/420596895.db2.gz MREMEGJMKQVKRJ-LZWOXQAQSA-N 1 1 306.362 1.957 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000457118799 420620979 /nfs/dbraw/zinc/62/09/79/420620979.db2.gz KKAHNYYGONKDKC-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000457118799 420620985 /nfs/dbraw/zinc/62/09/85/420620985.db2.gz KKAHNYYGONKDKC-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457132384 420625869 /nfs/dbraw/zinc/62/58/69/420625869.db2.gz USURNMVGDSNVIK-LBPRGKRZSA-N 1 1 306.366 1.853 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492988043 420728820 /nfs/dbraw/zinc/72/88/20/420728820.db2.gz NPYRFTZVECOGRS-KTRBRXNASA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492988043 420728823 /nfs/dbraw/zinc/72/88/23/420728823.db2.gz NPYRFTZVECOGRS-KTRBRXNASA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459727657 420858078 /nfs/dbraw/zinc/85/80/78/420858078.db2.gz RADGWICRIFVNAM-LPDYGMJQSA-N 1 1 306.362 1.817 20 5 DDBDMO CC(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000488012769 421062511 /nfs/dbraw/zinc/06/25/11/421062511.db2.gz UYKPOJNDOMZEAV-OAHLLOKOSA-N 1 1 320.393 1.466 20 5 DDBDMO CC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH+]1CCOCC1 ZINC000450397523 421193189 /nfs/dbraw/zinc/19/31/89/421193189.db2.gz VWFKRBWZRARDEF-GXTWGEPZSA-N 1 1 306.366 1.537 20 5 DDBDMO COCC[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516904002 421577001 /nfs/dbraw/zinc/57/70/01/421577001.db2.gz BFYAJTZEOLLNLS-CYBMUJFWSA-N 1 1 321.377 1.489 20 5 DDBDMO CCC[C@H](NCC(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000573108296 421921055 /nfs/dbraw/zinc/92/10/55/421921055.db2.gz LOXHRAFSTVPWFX-HNNXBMFYSA-N 1 1 320.393 1.457 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000574782371 422180715 /nfs/dbraw/zinc/18/07/15/422180715.db2.gz DVJOWUYVBRGFAB-LBPRGKRZSA-N 1 1 323.397 1.758 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576885955 422380061 /nfs/dbraw/zinc/38/00/61/422380061.db2.gz MQGQAFACXBGIQV-LLVKDONJSA-N 1 1 321.381 1.376 20 5 DDBDMO CC[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000602983367 422441012 /nfs/dbraw/zinc/44/10/12/422441012.db2.gz IWZIWTXEPXHMNH-CZUORRHYSA-N 1 1 324.377 1.571 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC1 ZINC000577745450 422418941 /nfs/dbraw/zinc/41/89/41/422418941.db2.gz KCFGGBBTZAJTIS-UHFFFAOYSA-N 1 1 307.354 1.176 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589561 422602493 /nfs/dbraw/zinc/60/24/93/422602493.db2.gz ZVUCRLSZDBDBCQ-ZFWWWQNUSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589561 422602501 /nfs/dbraw/zinc/60/25/01/422602501.db2.gz ZVUCRLSZDBDBCQ-ZFWWWQNUSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@H]1CN(C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578589561 422602506 /nfs/dbraw/zinc/60/25/06/422602506.db2.gz ZVUCRLSZDBDBCQ-ZFWWWQNUSA-N 1 1 323.393 1.361 20 5 DDBDMO Cn1c(C(=O)Nc2c[nH+]ccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000337643839 271038356 /nfs/dbraw/zinc/03/83/56/271038356.db2.gz WMOOWQZBBHXLIT-UHFFFAOYSA-N 1 1 312.289 1.766 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000341934864 271251740 /nfs/dbraw/zinc/25/17/40/271251740.db2.gz YCWAQMNBLZTNBF-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000341978025 271265384 /nfs/dbraw/zinc/26/53/84/271265384.db2.gz XFMBTZBXLBURAG-HOCLYGCPSA-N 1 1 322.361 1.589 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000342074446 271291021 /nfs/dbraw/zinc/29/10/21/271291021.db2.gz XEZPBTHPHPACLH-AWEZNQCLSA-N 1 1 321.377 1.821 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000344426752 272023096 /nfs/dbraw/zinc/02/30/96/272023096.db2.gz PUJQHSUKLGSAPL-PHIMTYICSA-N 1 1 306.366 1.853 20 5 DDBDMO CCOCC[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266388549 273699377 /nfs/dbraw/zinc/69/93/77/273699377.db2.gz NTTOOYNFQZVLNK-UHFFFAOYSA-N 1 1 309.366 1.762 20 5 DDBDMO COCC[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112073257 274031008 /nfs/dbraw/zinc/03/10/08/274031008.db2.gz NAMHODRDIBUVCJ-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000302482888 274095973 /nfs/dbraw/zinc/09/59/73/274095973.db2.gz XZXSAQXZUOEVJQ-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000302569096 274096002 /nfs/dbraw/zinc/09/60/02/274096002.db2.gz XZXSAQXZUOEVJQ-SNVBAGLBSA-N 1 1 313.329 1.245 20 5 DDBDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292664754 277087262 /nfs/dbraw/zinc/08/72/62/277087262.db2.gz CSDOWAYRXXZSDI-INIZCTEOSA-N 1 1 318.377 1.616 20 5 DDBDMO CC[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000419289658 280826797 /nfs/dbraw/zinc/82/67/97/280826797.db2.gz QXNOUSOOAUKWLD-CYBMUJFWSA-N 1 1 321.377 1.778 20 5 DDBDMO O=[N+]([O-])c1ccc(CSC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000128868375 281325019 /nfs/dbraw/zinc/32/50/19/281325019.db2.gz XTFXXWFCGXTSOG-CQSZACIVSA-N 1 1 312.391 1.521 20 5 DDBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000362699972 300117886 /nfs/dbraw/zinc/11/78/86/300117886.db2.gz XFEUHDOGPQCDLV-LBPRGKRZSA-N 1 1 324.406 1.053 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000362718787 300122407 /nfs/dbraw/zinc/12/24/07/300122407.db2.gz BJRFOMPVGFFEQN-STQMWFEESA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1[N+](=O)[O-] ZINC000362718787 300122409 /nfs/dbraw/zinc/12/24/09/300122409.db2.gz BJRFOMPVGFFEQN-STQMWFEESA-N 1 1 319.361 1.578 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982493 300193726 /nfs/dbraw/zinc/19/37/26/300193726.db2.gz MEEQCJVGNRZGER-ZWNOBZJWSA-N 1 1 304.350 1.072 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363265557 300241751 /nfs/dbraw/zinc/24/17/51/300241751.db2.gz FYFAKBOAEKPFSW-CABCVRRESA-N 1 1 319.361 1.117 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364209511 300357127 /nfs/dbraw/zinc/35/71/27/300357127.db2.gz BRJBKHCNFVXUJK-ZDUSSCGKSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000368404319 301019969 /nfs/dbraw/zinc/01/99/69/301019969.db2.gz LIHNCFGZVNSCLG-RYUDHWBXSA-N 1 1 323.378 1.446 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000368404319 301019971 /nfs/dbraw/zinc/01/99/71/301019971.db2.gz LIHNCFGZVNSCLG-RYUDHWBXSA-N 1 1 323.378 1.446 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368587931 301058952 /nfs/dbraw/zinc/05/89/52/301058952.db2.gz BUQQVMYWXKYPHJ-JSGCOSHPSA-N 1 1 319.361 1.526 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369143535 301136654 /nfs/dbraw/zinc/13/66/54/301136654.db2.gz KWOZVDDEPSBEQC-UWVGGRQHSA-N 1 1 307.354 1.237 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])C1 ZINC000369709207 301215206 /nfs/dbraw/zinc/21/52/06/301215206.db2.gz CHJBGEOSVBZVHU-ILXRZTDVSA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000369709207 301215208 /nfs/dbraw/zinc/21/52/08/301215208.db2.gz CHJBGEOSVBZVHU-ILXRZTDVSA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000369709207 301215209 /nfs/dbraw/zinc/21/52/09/301215209.db2.gz CHJBGEOSVBZVHU-ILXRZTDVSA-N 1 1 303.362 1.385 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000363646008 307032476 /nfs/dbraw/zinc/03/24/76/307032476.db2.gz SWLWDCXQIQJUSK-UHFFFAOYSA-N 1 1 306.366 1.735 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000530869160 303217886 /nfs/dbraw/zinc/21/78/86/303217886.db2.gz OCYFRNAJURALEO-UHFFFAOYSA-N 1 1 309.414 1.881 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531804457 303257760 /nfs/dbraw/zinc/25/77/60/303257760.db2.gz ZPGCKLGGYGKRCB-IAQYHMDHSA-N 1 1 318.377 1.877 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531912028 303265693 /nfs/dbraw/zinc/26/56/93/303265693.db2.gz QPXMKRKSUVLUTE-VXGBXAGGSA-N 1 1 309.370 1.384 20 5 DDBDMO CN1CCC[C@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000558442028 303770817 /nfs/dbraw/zinc/77/08/17/303770817.db2.gz JNUBDDSWTMBTNH-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000361854987 307009101 /nfs/dbraw/zinc/00/91/01/307009101.db2.gz MWMIWJBCSQSZPP-OAHLLOKOSA-N 1 1 322.365 1.400 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362080613 307013127 /nfs/dbraw/zinc/01/31/27/307013127.db2.gz YGRBIKKXWWFXOJ-QWHCGFSZSA-N 1 1 321.377 1.792 20 5 DDBDMO O=C1N[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC000369720396 307127513 /nfs/dbraw/zinc/12/75/13/307127513.db2.gz HTUMZSCWEWMRQI-NEPJUHHUSA-N 1 1 321.333 1.404 20 5 DDBDMO O=C1N[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2CO1 ZINC000369720396 307127514 /nfs/dbraw/zinc/12/75/14/307127514.db2.gz HTUMZSCWEWMRQI-NEPJUHHUSA-N 1 1 321.333 1.404 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000375300179 307221026 /nfs/dbraw/zinc/22/10/26/307221026.db2.gz WJNYTUPGWDIQGA-CQSZACIVSA-N 1 1 308.334 1.569 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000375300179 307221027 /nfs/dbraw/zinc/22/10/27/307221027.db2.gz WJNYTUPGWDIQGA-CQSZACIVSA-N 1 1 308.334 1.569 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000533195924 307635952 /nfs/dbraw/zinc/63/59/52/307635952.db2.gz OONAZUZSXXUKQF-GFCCVEGCSA-N 1 1 305.334 1.611 20 5 DDBDMO Cc1cnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000566117600 308043807 /nfs/dbraw/zinc/04/38/07/308043807.db2.gz VXDXADVTHGTRMK-NSHDSACASA-N 1 1 323.374 1.889 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000582310095 326010377 /nfs/dbraw/zinc/01/03/77/326010377.db2.gz YVIDHKRLYZSGTD-LBPRGKRZSA-N 1 1 307.350 1.656 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488732574 484215381 /nfs/dbraw/zinc/21/53/81/484215381.db2.gz KHRLFTZTGGDMPB-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488732574 484215385 /nfs/dbraw/zinc/21/53/85/484215385.db2.gz KHRLFTZTGGDMPB-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295916211 534703700 /nfs/dbraw/zinc/70/37/00/534703700.db2.gz CQVFZMVNUGKNOT-CQSZACIVSA-N 1 1 321.377 1.100 20 5 DDBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000305427194 527360211 /nfs/dbraw/zinc/36/02/11/527360211.db2.gz CAMRGBVYKMBFNW-ZDUSSCGKSA-N 1 1 307.350 1.429 20 5 DDBDMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cnn(C)c1 ZINC000459594713 527944207 /nfs/dbraw/zinc/94/42/07/527944207.db2.gz LHYVNOKYUIEYNI-UHFFFAOYSA-N 1 1 306.370 1.683 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330872747 528114512 /nfs/dbraw/zinc/11/45/12/528114512.db2.gz HGBLKDSAJPCYLL-UHFFFAOYSA-N 1 1 321.381 1.295 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000981763040 696906856 /nfs/dbraw/zinc/90/68/56/696906856.db2.gz CEDYGGOQOUUXOG-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000981763040 696906858 /nfs/dbraw/zinc/90/68/58/696906858.db2.gz CEDYGGOQOUUXOG-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000981763040 696906859 /nfs/dbraw/zinc/90/68/59/696906859.db2.gz CEDYGGOQOUUXOG-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO C[N@@H+](Cc1cccnc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430640 697510176 /nfs/dbraw/zinc/51/01/76/697510176.db2.gz GXMYVEJWURVUEQ-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[N@H+](Cc1cccnc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430640 697510177 /nfs/dbraw/zinc/51/01/77/697510177.db2.gz GXMYVEJWURVUEQ-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[N@@H+](Cc1cccnc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430640 697510178 /nfs/dbraw/zinc/51/01/78/697510178.db2.gz GXMYVEJWURVUEQ-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773199222 697727310 /nfs/dbraw/zinc/72/73/10/697727310.db2.gz QCFBCOJYYVXKSC-SNVBAGLBSA-N 1 1 322.321 1.717 20 5 DDBDMO CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579645 698120387 /nfs/dbraw/zinc/12/03/87/698120387.db2.gz OWAKZGLEJRHOMA-AWEZNQCLSA-N 1 1 309.366 1.428 20 5 DDBDMO CCC[N@H+](CC(=O)N(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579645 698120389 /nfs/dbraw/zinc/12/03/89/698120389.db2.gz OWAKZGLEJRHOMA-AWEZNQCLSA-N 1 1 309.366 1.428 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854195 698144225 /nfs/dbraw/zinc/14/42/25/698144225.db2.gz PZKWPPHBZIBTOB-SMDDNHRTSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776854195 698144226 /nfs/dbraw/zinc/14/42/26/698144226.db2.gz PZKWPPHBZIBTOB-SMDDNHRTSA-N 1 1 323.393 1.863 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)OCCC[NH+]1CCOCC1 ZINC000750891960 700254785 /nfs/dbraw/zinc/25/47/85/700254785.db2.gz WFBBPMZFEBWQHL-UHFFFAOYSA-N 1 1 308.334 1.403 20 5 DDBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCC[NH+]2CCCC2)cs1 ZINC000788874144 699343853 /nfs/dbraw/zinc/34/38/53/699343853.db2.gz FULAKXIRKYTXRC-UHFFFAOYSA-N 1 1 305.381 1.030 20 5 DDBDMO COCC[N@@H+](C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000726908303 699388078 /nfs/dbraw/zinc/38/80/78/699388078.db2.gz XGBDWDZFSLABIB-UHFFFAOYSA-N 1 1 312.395 1.459 20 5 DDBDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000789588736 699397289 /nfs/dbraw/zinc/39/72/89/699397289.db2.gz BSJBLXBXXRDBJQ-UHFFFAOYSA-N 1 1 324.293 1.928 20 5 DDBDMO Cc1cccc2c1CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000743846584 699928850 /nfs/dbraw/zinc/92/88/50/699928850.db2.gz OCBGFFJQNBBRGW-OAHLLOKOSA-N 1 1 316.361 1.519 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000802135884 700369960 /nfs/dbraw/zinc/36/99/60/700369960.db2.gz BLZPXUWXMZVQGP-CQSZACIVSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000802135884 700369966 /nfs/dbraw/zinc/36/99/66/700369966.db2.gz BLZPXUWXMZVQGP-CQSZACIVSA-N 1 1 308.334 1.861 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000754778215 700527075 /nfs/dbraw/zinc/52/70/75/700527075.db2.gz MSAWEKNJFLJQPW-ZDUSSCGKSA-N 1 1 309.370 1.166 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000754778215 700527078 /nfs/dbraw/zinc/52/70/78/700527078.db2.gz MSAWEKNJFLJQPW-ZDUSSCGKSA-N 1 1 309.370 1.166 20 5 DDBDMO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1C ZINC000761078330 700840586 /nfs/dbraw/zinc/84/05/86/700840586.db2.gz BOPKJHNCSHYIBW-DOMZBBRYSA-N 1 1 318.377 1.336 20 5 DDBDMO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1C ZINC000761078330 700840588 /nfs/dbraw/zinc/84/05/88/700840588.db2.gz BOPKJHNCSHYIBW-DOMZBBRYSA-N 1 1 318.377 1.336 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000808131719 701499948 /nfs/dbraw/zinc/49/99/48/701499948.db2.gz SEIVTFWRHXMDTK-UHFFFAOYSA-N 1 1 320.397 1.538 20 5 DDBDMO CN(CCCNc1nc2ccccn2c1[N+](=O)[O-])CC[NH+](C)C ZINC000808131719 701499950 /nfs/dbraw/zinc/49/99/50/701499950.db2.gz SEIVTFWRHXMDTK-UHFFFAOYSA-N 1 1 320.397 1.538 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000879215057 706616564 /nfs/dbraw/zinc/61/65/64/706616564.db2.gz ZEIKAZWNIODEKO-UHFFFAOYSA-N 1 1 321.381 1.668 20 5 DDBDMO C[C@H]1CSCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927794 701834933 /nfs/dbraw/zinc/83/49/33/701834933.db2.gz OMWUBFXVHLOEEN-IINYFYTJSA-N 1 1 309.391 1.733 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000816954083 702237696 /nfs/dbraw/zinc/23/76/96/702237696.db2.gz STGALXSLNNAYNT-BPFGOOJPSA-N 1 1 301.346 1.771 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531857 706710841 /nfs/dbraw/zinc/71/08/41/706710841.db2.gz MFKDWKKAUYXLPE-TVYUQYBPSA-N 1 1 303.318 1.202 20 5 DDBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848353164 703542313 /nfs/dbraw/zinc/54/23/13/703542313.db2.gz YIITWRMBONOIPY-STQMWFEESA-N 1 1 319.365 1.319 20 5 DDBDMO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000879686200 706759068 /nfs/dbraw/zinc/75/90/68/706759068.db2.gz VUNHUAHVVPIVRL-LLVKDONJSA-N 1 1 317.349 1.642 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000852437701 704048243 /nfs/dbraw/zinc/04/82/43/704048243.db2.gz FPWBONWPEWWPNH-LBPRGKRZSA-N 1 1 321.333 1.630 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000852437701 704048244 /nfs/dbraw/zinc/04/82/44/704048244.db2.gz FPWBONWPEWWPNH-LBPRGKRZSA-N 1 1 321.333 1.630 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCn2ccnc21 ZINC000819337788 704109582 /nfs/dbraw/zinc/10/95/82/704109582.db2.gz PHCQPLBIQNUYBF-VXGBXAGGSA-N 1 1 318.333 1.266 20 5 DDBDMO CCO[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870873422 704152802 /nfs/dbraw/zinc/15/28/02/704152802.db2.gz CUDKDDWXHPKDOJ-HOCLYGCPSA-N 1 1 321.377 1.796 20 5 DDBDMO CCN(C[C@H]1CCOC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870875367 704153785 /nfs/dbraw/zinc/15/37/85/704153785.db2.gz LUKUNUFUXKUTHQ-WBMJQRKESA-N 1 1 321.377 1.654 20 5 DDBDMO CO[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870880780 704155265 /nfs/dbraw/zinc/15/52/65/704155265.db2.gz ONDRRDOGHYQEBH-UKRRQHHQSA-N 1 1 307.350 1.406 20 5 DDBDMO CCOC[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870897299 704161224 /nfs/dbraw/zinc/16/12/24/704161224.db2.gz BGUMDMIEIRNJSI-BLLLJJGKSA-N 1 1 321.377 1.654 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000819719807 704164242 /nfs/dbraw/zinc/16/42/42/704164242.db2.gz HPVXAXNCPQCGBM-CFVMTHIKSA-N 1 1 319.361 1.181 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176993 705124014 /nfs/dbraw/zinc/12/40/14/705124014.db2.gz LFPMQRHCWIYUGN-HOTGVXAUSA-N 1 1 321.377 1.619 20 5 DDBDMO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824003002 705353259 /nfs/dbraw/zinc/35/32/59/705353259.db2.gz LCFJYEHIXOROSD-VXGBXAGGSA-N 1 1 319.365 1.925 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC[C@@H]21 ZINC000827278212 705967111 /nfs/dbraw/zinc/96/71/11/705967111.db2.gz VDUYPHRLGNACGD-YGRLFVJLSA-N 1 1 304.350 1.343 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827373163 705988382 /nfs/dbraw/zinc/98/83/82/705988382.db2.gz GWWIERAYORVNBO-ZFWWWQNUSA-N 1 1 303.362 1.690 20 5 DDBDMO CO[C@@H]1CC[C@H](C)N(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000877197341 706014625 /nfs/dbraw/zinc/01/46/25/706014625.db2.gz IEARXBWZMSHOQZ-SGIREYDYSA-N 1 1 321.377 1.795 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CO)(CO)CC2)c1 ZINC000877797666 706218743 /nfs/dbraw/zinc/21/87/43/706218743.db2.gz PACCHTYVFSRTFI-UHFFFAOYSA-N 1 1 314.769 1.815 20 5 DDBDMO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000878356468 706368839 /nfs/dbraw/zinc/36/88/39/706368839.db2.gz VLRJETXXMLVHAX-GFCCVEGCSA-N 1 1 320.393 1.456 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605341 706475544 /nfs/dbraw/zinc/47/55/44/706475544.db2.gz SMVKPJRZIDHRHP-ZDUSSCGKSA-N 1 1 321.352 1.877 20 5 DDBDMO COC(=O)[C@H]1[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000865825830 706537671 /nfs/dbraw/zinc/53/76/71/706537671.db2.gz JBPLAGPHDYKEGG-JYAVWHMHSA-N 1 1 313.313 1.998 20 5 DDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H](C(F)(F)F)O1 ZINC000880056155 706865749 /nfs/dbraw/zinc/86/57/49/706865749.db2.gz CAELRYGIQQLFMN-UWVGGRQHSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H](C(F)(F)F)O1 ZINC000880056155 706865750 /nfs/dbraw/zinc/86/57/50/706865750.db2.gz CAELRYGIQQLFMN-UWVGGRQHSA-N 1 1 322.287 1.833 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000880311372 706937526 /nfs/dbraw/zinc/93/75/26/706937526.db2.gz DJAIWTWQMRPDDY-LZWOXQAQSA-N 1 1 319.361 1.038 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320733 706940020 /nfs/dbraw/zinc/94/00/20/706940020.db2.gz XKZZAWVFFHOCTR-NSHDSACASA-N 1 1 320.374 1.703 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)Cn2cc(C[NH+]3CCCC3)nn2)cc1 ZINC000881397500 707234302 /nfs/dbraw/zinc/23/43/02/707234302.db2.gz BZKJKQCDVDYRQX-HNNXBMFYSA-N 1 1 317.349 1.516 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[NH2+]2)c(C(F)F)c1 ZINC000882731110 707764372 /nfs/dbraw/zinc/76/43/72/707764372.db2.gz UAZSXQQDEQUVCA-ZDUSSCGKSA-N 1 1 317.292 1.295 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000888990976 709424786 /nfs/dbraw/zinc/42/47/86/709424786.db2.gz LIVGNBYQCICUKN-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000888990976 709424788 /nfs/dbraw/zinc/42/47/88/709424788.db2.gz LIVGNBYQCICUKN-UHFFFAOYSA-N 1 1 320.393 1.223 20 5 DDBDMO C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000928249273 713157375 /nfs/dbraw/zinc/15/73/75/713157375.db2.gz RFGYLYCKLAEGKR-IUODEOHRSA-N 1 1 318.377 1.162 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000891993968 710348889 /nfs/dbraw/zinc/34/88/89/710348889.db2.gz XSTLUYDQYPHEJK-LLVKDONJSA-N 1 1 309.366 1.835 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000892176465 710388535 /nfs/dbraw/zinc/38/85/35/710388535.db2.gz VHVFXTUVEAZCGO-HNNXBMFYSA-N 1 1 308.334 1.921 20 5 DDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451246 713202565 /nfs/dbraw/zinc/20/25/65/713202565.db2.gz VIRSIIPMANSJNQ-JQWIXIFHSA-N 1 1 307.350 1.355 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478900 710814679 /nfs/dbraw/zinc/81/46/79/710814679.db2.gz UYERBZPNUXOJNM-UHFFFAOYSA-N 1 1 301.293 1.829 20 5 DDBDMO CN(CCC[N@@H+](C)Cc1ccco1)c1c([N+](=O)[O-])cnn1C ZINC000893846966 710855735 /nfs/dbraw/zinc/85/57/35/710855735.db2.gz CFGQONYDZNQKDZ-UHFFFAOYSA-N 1 1 307.354 1.880 20 5 DDBDMO CC(C)Oc1nc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000893933533 710891395 /nfs/dbraw/zinc/89/13/95/710891395.db2.gz AQNYLQMMVITDOE-WCQYABFASA-N 1 1 306.366 1.917 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000893936012 710892121 /nfs/dbraw/zinc/89/21/21/710892121.db2.gz TYNZPZWGTDGQJQ-YUMQZZPRSA-N 1 1 319.287 1.487 20 5 DDBDMO Cc1c(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000894395846 711101897 /nfs/dbraw/zinc/10/18/97/711101897.db2.gz BZEASVCPSMRHBF-DZGCQCFKSA-N 1 1 318.377 1.749 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000928565978 713230607 /nfs/dbraw/zinc/23/06/07/713230607.db2.gz CHJDPHNZXUDFKO-CYBMUJFWSA-N 1 1 318.377 1.629 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000928565978 713230611 /nfs/dbraw/zinc/23/06/11/713230611.db2.gz CHJDPHNZXUDFKO-CYBMUJFWSA-N 1 1 318.377 1.629 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000912025198 711129627 /nfs/dbraw/zinc/12/96/27/711129627.db2.gz ZMLOUQNYDZYKQA-PHIMTYICSA-N 1 1 306.366 1.732 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000928571328 713233869 /nfs/dbraw/zinc/23/38/69/713233869.db2.gz MBFYKBCBMQHGQE-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000928571328 713233871 /nfs/dbraw/zinc/23/38/71/713233871.db2.gz MBFYKBCBMQHGQE-JTQLQIEISA-N 1 1 321.333 1.190 20 5 DDBDMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1CO ZINC000894885678 711308130 /nfs/dbraw/zinc/30/81/30/711308130.db2.gz RRAWAJWPCHPJPC-VIFPVBQESA-N 1 1 320.271 1.121 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1CO ZINC000894885678 711308135 /nfs/dbraw/zinc/30/81/35/711308135.db2.gz RRAWAJWPCHPJPC-VIFPVBQESA-N 1 1 320.271 1.121 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000913536140 713248789 /nfs/dbraw/zinc/24/87/89/713248789.db2.gz KBZUILSKACMKGR-GASCZTMLSA-N 1 1 303.362 1.832 20 5 DDBDMO CCN1CCC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1=O ZINC000895899322 711640995 /nfs/dbraw/zinc/64/09/95/711640995.db2.gz LPBBCXJSIXXUGG-HNNXBMFYSA-N 1 1 314.345 1.988 20 5 DDBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@@H+]2C2CCOCC2)cs1 ZINC000922950107 714195422 /nfs/dbraw/zinc/19/54/22/714195422.db2.gz CFACEEZLSAMTDE-ZDUSSCGKSA-N 1 1 311.407 1.999 20 5 DDBDMO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@H+]2C2CCOCC2)cs1 ZINC000922950107 714195424 /nfs/dbraw/zinc/19/54/24/714195424.db2.gz CFACEEZLSAMTDE-ZDUSSCGKSA-N 1 1 311.407 1.999 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932638781 714372084 /nfs/dbraw/zinc/37/20/84/714372084.db2.gz KMHPREFYQPWBMJ-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000932638781 714372088 /nfs/dbraw/zinc/37/20/88/714372088.db2.gz KMHPREFYQPWBMJ-LBPRGKRZSA-N 1 1 308.334 1.988 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C3CCOCC3)C2)n1 ZINC000933080066 714513302 /nfs/dbraw/zinc/51/33/02/714513302.db2.gz TVUDACMCZPHONK-AWEZNQCLSA-N 1 1 308.382 1.930 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000934321243 714794397 /nfs/dbraw/zinc/79/43/97/714794397.db2.gz BFDLIJVECFIEEK-OLZOCXBDSA-N 1 1 321.381 1.185 20 5 DDBDMO O=C(CC[N@H+]1CC[C@H](O)[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570362 714854139 /nfs/dbraw/zinc/85/41/39/714854139.db2.gz DXABTQLKKXUEBN-GWCFXTLKSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@H](O)[C@@H](F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000934570362 714854140 /nfs/dbraw/zinc/85/41/40/714854140.db2.gz DXABTQLKKXUEBN-GWCFXTLKSA-N 1 1 311.313 1.328 20 5 DDBDMO COC(=O)[C@H](C)N(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001167114317 732681616 /nfs/dbraw/zinc/68/16/16/732681616.db2.gz ZOOVJWNSVVFLAG-FGEFZZPRSA-N 1 1 308.338 1.520 20 5 DDBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001125546556 734481051 /nfs/dbraw/zinc/48/10/51/734481051.db2.gz GJWHPMDMIIWFGJ-UHFFFAOYSA-N 1 1 317.349 1.075 20 5 DDBDMO CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025685041 736820135 /nfs/dbraw/zinc/82/01/35/736820135.db2.gz AMPUANWWJUJOAU-NHAGDIPZSA-N 1 1 303.362 1.797 20 5 DDBDMO Cc1cncc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001002783492 743424625 /nfs/dbraw/zinc/42/46/25/743424625.db2.gz USLXDKFINSXPKF-HUUCEWRRSA-N 1 1 318.377 1.136 20 5 DDBDMO Cc1cc(-n2cnc(C[NH3+])n2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168750167 749047100 /nfs/dbraw/zinc/04/71/00/749047100.db2.gz KOWOKIDHUYAAFO-UHFFFAOYSA-N 1 1 311.305 1.400 20 5 DDBDMO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000996429229 749588313 /nfs/dbraw/zinc/58/83/13/749588313.db2.gz MTINNCNWXJNWQC-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO CCOC(=O)N1CCC([N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038631 762193684 /nfs/dbraw/zinc/19/36/84/762193684.db2.gz JMBWXFDHYSRBNK-OCCSQVGLSA-N 1 1 313.398 1.985 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)C1 ZINC001169023823 762202040 /nfs/dbraw/zinc/20/20/40/762202040.db2.gz FLWKVSDPPWPYRE-XUWVNRHRSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023823 762202046 /nfs/dbraw/zinc/20/20/46/762202046.db2.gz FLWKVSDPPWPYRE-XUWVNRHRSA-N 1 1 309.410 1.227 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C1 ZINC001169023823 762202050 /nfs/dbraw/zinc/20/20/50/762202050.db2.gz FLWKVSDPPWPYRE-XUWVNRHRSA-N 1 1 309.410 1.227 20 5 DDBDMO COC(=O)c1cnc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055915 762210799 /nfs/dbraw/zinc/21/07/99/762210799.db2.gz RFGKWGUWYYRBGX-RISCZKNCSA-N 1 1 319.361 1.672 20 5 DDBDMO COc1cc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056366 762211369 /nfs/dbraw/zinc/21/13/69/762211369.db2.gz SLESEXBMHIKDRB-KCQAQPDRSA-N 1 1 321.377 1.989 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000823785271 758362692 /nfs/dbraw/zinc/36/26/92/758362692.db2.gz ZZQIEMZNCHWRON-SWLSCSKDSA-N 1 1 320.393 1.267 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139565 760613987 /nfs/dbraw/zinc/61/39/87/760613987.db2.gz FWBWCMDAKVZSON-FPQZTECRSA-N 1 1 309.391 1.193 20 5 DDBDMO Cc1ncccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363518 761492711 /nfs/dbraw/zinc/49/27/11/761492711.db2.gz YYLKSSJLJARPOH-NMFUWQPSSA-N 1 1 318.377 1.040 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048524903 769493362 /nfs/dbraw/zinc/49/33/62/769493362.db2.gz FAJBFAHRJJXCDF-YIDVYQOGSA-N 1 1 321.421 1.811 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048524903 769493368 /nfs/dbraw/zinc/49/33/68/769493368.db2.gz FAJBFAHRJJXCDF-YIDVYQOGSA-N 1 1 321.421 1.811 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048524903 769493372 /nfs/dbraw/zinc/49/33/72/769493372.db2.gz FAJBFAHRJJXCDF-YIDVYQOGSA-N 1 1 321.421 1.811 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C[N@H+](C)C(C)C ZINC001093674055 774989050 /nfs/dbraw/zinc/98/90/50/774989050.db2.gz LWGUHCWUZCGWJC-UHFFFAOYSA-N 1 1 309.370 1.167 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093787770 775078692 /nfs/dbraw/zinc/07/86/92/775078692.db2.gz KKHZDSMALQYFSB-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093840565 775125133 /nfs/dbraw/zinc/12/51/33/775125133.db2.gz NKVKKJADTBGIIH-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCCNc1ncccc1[N+](=O)[O-] ZINC001094434758 775858690 /nfs/dbraw/zinc/85/86/90/775858690.db2.gz PZZCRJRAPGONAP-UHFFFAOYSA-N 1 1 318.337 1.113 20 5 DDBDMO CC(C)(C[NH2+]CC1CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101540679 777230897 /nfs/dbraw/zinc/23/08/97/777230897.db2.gz PBAFLDLBIKUUGT-HUUCEWRRSA-N 1 1 323.437 1.916 20 5 DDBDMO CC(C)OCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178450222 779035094 /nfs/dbraw/zinc/03/50/94/779035094.db2.gz YGFZQIFWFINRLJ-ZIAGYGMSSA-N 1 1 315.414 1.343 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816080 780904398 /nfs/dbraw/zinc/90/43/98/780904398.db2.gz QNDUSXVZRVVHMI-TZMCWYRMSA-N 1 1 307.350 1.181 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001117816080 780904403 /nfs/dbraw/zinc/90/44/03/780904403.db2.gz QNDUSXVZRVVHMI-TZMCWYRMSA-N 1 1 307.350 1.181 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C1(O)CCCC1)CC2 ZINC001119684609 781562552 /nfs/dbraw/zinc/56/25/52/781562552.db2.gz CPEJOVPFKCPDHM-HNNXBMFYSA-N 1 1 306.362 1.619 20 5 DDBDMO CC[C@@H]1[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC[C@]12CCC(=O)N2 ZINC001169021512 850518374 /nfs/dbraw/zinc/51/83/74/850518374.db2.gz LGKQCJPNRMFIDS-HOSILWTGSA-N 1 1 309.410 1.955 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001123003165 859049660 /nfs/dbraw/zinc/04/96/60/859049660.db2.gz RHLDJEYWVMVRDE-NEPJUHHUSA-N 1 1 308.338 1.270 20 5 DDBDMO Cc1cc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001124043321 859546251 /nfs/dbraw/zinc/54/62/51/859546251.db2.gz FRZYIXQDFHMEEB-LBPRGKRZSA-N 1 1 307.350 1.810 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2CCCC2)CC1 ZINC001276992296 881507855 /nfs/dbraw/zinc/50/78/55/881507855.db2.gz UNECGFBWYXYEDP-UHFFFAOYSA-N 1 1 321.381 1.257 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001156624410 863201237 /nfs/dbraw/zinc/20/12/37/863201237.db2.gz OKMIIDDQADZEHK-UHFFFAOYSA-N 1 1 315.120 1.420 20 5 DDBDMO O=C(NCCC[NH2+]CCCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001157767854 864118257 /nfs/dbraw/zinc/11/82/57/864118257.db2.gz YAEBBMRAAQLKGK-NXEZZACHSA-N 1 1 311.304 1.480 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)CC2 ZINC001334613746 867710672 /nfs/dbraw/zinc/71/06/72/867710672.db2.gz JGWGQTPHQHFIPT-VNQPRFMTSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)CC2 ZINC001334613746 867710676 /nfs/dbraw/zinc/71/06/76/867710676.db2.gz JGWGQTPHQHFIPT-VNQPRFMTSA-N 1 1 304.346 1.757 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335117118 868075678 /nfs/dbraw/zinc/07/56/78/868075678.db2.gz KNCAUYVTBUACJQ-OLZOCXBDSA-N 1 1 309.341 1.769 20 5 DDBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001163117444 868115230 /nfs/dbraw/zinc/11/52/30/868115230.db2.gz HACDMUKFKXQNOF-LBPRGKRZSA-N 1 1 308.338 1.095 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001335422077 868285486 /nfs/dbraw/zinc/28/54/86/868285486.db2.gz QPNBIYDLVCBQAI-HIFRSBDPSA-N 1 1 318.377 1.483 20 5 DDBDMO COc1c(O)ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-] ZINC001335420867 868285873 /nfs/dbraw/zinc/28/58/73/868285873.db2.gz JQXCEPBTWCFGMI-ODOQXGPZSA-N 1 1 322.361 1.902 20 5 DDBDMO CCNC(=O)CN(C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163913378 868786916 /nfs/dbraw/zinc/78/69/16/868786916.db2.gz FXVBWWVNRZJYSD-VOTSOKGWSA-N 1 1 307.354 1.094 20 5 DDBDMO COc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001336223740 868800088 /nfs/dbraw/zinc/80/00/88/868800088.db2.gz MIIXPVVUKIFVJN-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC001338463884 869992507 /nfs/dbraw/zinc/99/25/07/869992507.db2.gz NPNWPZZTTRJZBA-UMNHJUIQSA-N 1 1 307.325 1.804 20 5 DDBDMO Nc1cc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001339824727 870715802 /nfs/dbraw/zinc/71/58/02/870715802.db2.gz RKDIJPVPWZTSNG-JQWIXIFHSA-N 1 1 309.395 1.564 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001310993121 871668995 /nfs/dbraw/zinc/66/89/95/871668995.db2.gz WWHAWJNIEZZPSV-XHVZSJERSA-N 1 1 319.365 1.639 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001205641870 871670506 /nfs/dbraw/zinc/67/05/06/871670506.db2.gz WHUCUHDOTLWZAP-RNCFNFMXSA-N 1 1 308.313 1.902 20 5 DDBDMO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001350262730 875602424 /nfs/dbraw/zinc/60/24/24/875602424.db2.gz RYAGIUWPVSILIX-AWEZNQCLSA-N 1 1 321.381 1.271 20 5 DDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCC[N@H+](C)C1 ZINC001227541870 883070247 /nfs/dbraw/zinc/07/02/47/883070247.db2.gz PYMGEDGSCJHVEW-QMMMGPOBSA-N 1 1 300.336 1.916 20 5 DDBDMO COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C)C1 ZINC001227541870 883070262 /nfs/dbraw/zinc/07/02/62/883070262.db2.gz PYMGEDGSCJHVEW-QMMMGPOBSA-N 1 1 300.336 1.916 20 5 DDBDMO CC[NH+]1CCC(Oc2cc(O)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC001228809623 883682065 /nfs/dbraw/zinc/68/20/65/883682065.db2.gz GXIRWPGPLYYSON-UHFFFAOYSA-N 1 1 324.333 1.950 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]1CC(=O)C2 ZINC001229486054 884008627 /nfs/dbraw/zinc/00/86/27/884008627.db2.gz DKJKMWUBHCFRLQ-MRCXROJRSA-N 1 1 317.301 1.919 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]1CC(=O)C2 ZINC001229486054 884008635 /nfs/dbraw/zinc/00/86/35/884008635.db2.gz DKJKMWUBHCFRLQ-MRCXROJRSA-N 1 1 317.301 1.919 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)C1 ZINC001229941150 884239345 /nfs/dbraw/zinc/23/93/45/884239345.db2.gz JDFOATAIQFLTHR-SECBINFHSA-N 1 1 312.297 1.994 20 5 DDBDMO CC[N@H+]1CC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)C1 ZINC001229941151 884241103 /nfs/dbraw/zinc/24/11/03/884241103.db2.gz JDFOATAIQFLTHR-VIFPVBQESA-N 1 1 312.297 1.994 20 5 DDBDMO COCC[NH+]1CCC(Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230602000 884641471 /nfs/dbraw/zinc/64/14/71/884641471.db2.gz STNSIBRLKDQGAP-UHFFFAOYSA-N 1 1 320.349 1.961 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)[C@H](F)C3)CC2)cc1 ZINC001254474920 896456926 /nfs/dbraw/zinc/45/69/26/896456926.db2.gz WNBLXZYSFVKJAQ-HZPDHXFCSA-N 1 1 323.368 1.968 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC001254596766 896522578 /nfs/dbraw/zinc/52/25/78/896522578.db2.gz GAYUFNYIZDIGGT-IAGOWNOFSA-N 1 1 317.389 1.469 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN([C@@H]3CCOC3)CC1)C2 ZINC001254596766 896522586 /nfs/dbraw/zinc/52/25/86/896522586.db2.gz GAYUFNYIZDIGGT-IAGOWNOFSA-N 1 1 317.389 1.469 20 5 DDBDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597108 896524596 /nfs/dbraw/zinc/52/45/96/896524596.db2.gz USAHMBFSYMOLLW-BZUAXINKSA-N 1 1 315.373 1.757 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC12CC2 ZINC001254611174 896533247 /nfs/dbraw/zinc/53/32/47/896533247.db2.gz WPLVLYLUIDFOBV-LSDHHAIUSA-N 1 1 316.357 1.947 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000248684922 282099507 /nfs/dbraw/zinc/09/95/07/282099507.db2.gz YSHDXJJSJXCBME-VXGBXAGGSA-N 1 1 323.397 1.614 20 5 DDBDMO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000278396060 214140874 /nfs/dbraw/zinc/14/08/74/214140874.db2.gz FGJSMZMFOGGZSJ-ZDUSSCGKSA-N 1 1 319.361 1.846 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000278783563 214398778 /nfs/dbraw/zinc/39/87/78/214398778.db2.gz ZDGFYDYEQZLZTO-UHFFFAOYSA-N 1 1 302.334 1.899 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915447 529577072 /nfs/dbraw/zinc/57/70/72/529577072.db2.gz HHQVQVAKCIJVMZ-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000425915447 529577075 /nfs/dbraw/zinc/57/70/75/529577075.db2.gz HHQVQVAKCIJVMZ-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[N@@H+](CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC000358159152 299091084 /nfs/dbraw/zinc/09/10/84/299091084.db2.gz YTJTXQMAODOJKI-UHFFFAOYSA-N 1 1 310.354 1.919 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294423924 529803339 /nfs/dbraw/zinc/80/33/39/529803339.db2.gz GATYDGOCHQUQTF-GFCCVEGCSA-N 1 1 319.361 1.626 20 5 DDBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272773859 210179149 /nfs/dbraw/zinc/17/91/49/210179149.db2.gz XYOUQOCCGWOGKU-SNVBAGLBSA-N 1 1 305.338 1.762 20 5 DDBDMO C[NH2+]Cc1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000414497992 530011575 /nfs/dbraw/zinc/01/15/75/530011575.db2.gz HAGFGQFDKKZSNI-UHFFFAOYSA-N 1 1 303.322 1.964 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000458164607 530054678 /nfs/dbraw/zinc/05/46/78/530054678.db2.gz KICUYGSPTVGQFZ-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358417000 299147002 /nfs/dbraw/zinc/14/70/02/299147002.db2.gz WJTZSBJHICPBPC-RISCZKNCSA-N 1 1 321.352 1.972 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000155768691 186111570 /nfs/dbraw/zinc/11/15/70/186111570.db2.gz KCTHFDRRDGIYLI-RYUDHWBXSA-N 1 1 321.381 1.193 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000191828469 186260143 /nfs/dbraw/zinc/26/01/43/186260143.db2.gz GTCNCVSDGGZSTE-GFCCVEGCSA-N 1 1 323.397 1.758 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000026342665 352208047 /nfs/dbraw/zinc/20/80/47/352208047.db2.gz PQFVCBKEVURODA-NSHDSACASA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000026342665 352208051 /nfs/dbraw/zinc/20/80/51/352208051.db2.gz PQFVCBKEVURODA-NSHDSACASA-N 1 1 307.350 1.953 20 5 DDBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000047432964 352495444 /nfs/dbraw/zinc/49/54/44/352495444.db2.gz YZHZBALFGUFOST-BETUJISGSA-N 1 1 321.377 1.824 20 5 DDBDMO C[NH+]1CCC(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000050954334 352574283 /nfs/dbraw/zinc/57/42/83/352574283.db2.gz LOLQGPXCUGPDLP-UHFFFAOYSA-N 1 1 319.409 1.960 20 5 DDBDMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331807974 234143678 /nfs/dbraw/zinc/14/36/78/234143678.db2.gz KTDDYGRSNVDSBJ-NSHDSACASA-N 1 1 319.369 1.319 20 5 DDBDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000331807974 234143681 /nfs/dbraw/zinc/14/36/81/234143681.db2.gz KTDDYGRSNVDSBJ-NSHDSACASA-N 1 1 319.369 1.319 20 5 DDBDMO COCCC[N@@H+](CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000054365852 352689463 /nfs/dbraw/zinc/68/94/63/352689463.db2.gz HVUMEERSJDNJNG-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000061650266 352893512 /nfs/dbraw/zinc/89/35/12/352893512.db2.gz GWNPRVCFQTYLCF-STQMWFEESA-N 1 1 319.361 1.496 20 5 DDBDMO CN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448451 353313920 /nfs/dbraw/zinc/31/39/20/353313920.db2.gz MLUACXOGYBHBNP-OAGGEKHMSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448451 353313923 /nfs/dbraw/zinc/31/39/23/353313923.db2.gz MLUACXOGYBHBNP-OAGGEKHMSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448451 353313926 /nfs/dbraw/zinc/31/39/26/353313926.db2.gz MLUACXOGYBHBNP-OAGGEKHMSA-N 1 1 317.389 1.775 20 5 DDBDMO COCC[N@@H+]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000080948090 353638560 /nfs/dbraw/zinc/63/85/60/353638560.db2.gz HJMVAQXEITYQKL-UHFFFAOYSA-N 1 1 321.377 1.956 20 5 DDBDMO COCC[N@H+]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000080948090 353638561 /nfs/dbraw/zinc/63/85/61/353638561.db2.gz HJMVAQXEITYQKL-UHFFFAOYSA-N 1 1 321.377 1.956 20 5 DDBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091429774 353825922 /nfs/dbraw/zinc/82/59/22/353825922.db2.gz YHXYKBHMRGBOAU-UHFFFAOYSA-N 1 1 306.366 1.195 20 5 DDBDMO CN(C)C(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091429774 353825925 /nfs/dbraw/zinc/82/59/25/353825925.db2.gz YHXYKBHMRGBOAU-UHFFFAOYSA-N 1 1 306.366 1.195 20 5 DDBDMO COc1ccc(C[N@H+](C)C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000093212723 353889049 /nfs/dbraw/zinc/88/90/49/353889049.db2.gz COLNKCURRVFPMV-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1ccc(C[N@@H+](C)C2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000093212723 353889052 /nfs/dbraw/zinc/88/90/52/353889052.db2.gz COLNKCURRVFPMV-UHFFFAOYSA-N 1 1 307.350 1.833 20 5 DDBDMO CCc1nn(C)c(NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000094163898 353911762 /nfs/dbraw/zinc/91/17/62/353911762.db2.gz HDEASBHKFWRLRH-LLVKDONJSA-N 1 1 311.386 1.271 20 5 DDBDMO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)[N@@H+]1C ZINC000590378026 355078346 /nfs/dbraw/zinc/07/83/46/355078346.db2.gz VVZIYLSVXJZCSF-TXEJJXNPSA-N 1 1 321.377 1.890 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000591534394 355324519 /nfs/dbraw/zinc/32/45/19/355324519.db2.gz AHTTUCVQQBOUDM-WFASDCNBSA-N 1 1 303.362 1.988 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530722 355616062 /nfs/dbraw/zinc/61/60/62/355616062.db2.gz GILQIQUMOGUKBD-TZMCWYRMSA-N 1 1 308.334 1.259 20 5 DDBDMO [NH3+]Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000592357521 355566023 /nfs/dbraw/zinc/56/60/23/355566023.db2.gz JPOLFGWNTPMAPF-SSDOTTSWSA-N 1 1 323.334 1.475 20 5 DDBDMO [NH3+]Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000592357522 355566158 /nfs/dbraw/zinc/56/61/58/355566158.db2.gz JPOLFGWNTPMAPF-ZETCQYMHSA-N 1 1 323.334 1.475 20 5 DDBDMO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000593070124 355786435 /nfs/dbraw/zinc/78/64/35/355786435.db2.gz QEOYVGDPXCAEGZ-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593111191 355802673 /nfs/dbraw/zinc/80/26/73/355802673.db2.gz GJIGNEJKEUTLMD-UHFFFAOYSA-N 1 1 309.341 1.829 20 5 DDBDMO O=c1[nH]ccc2c1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000276961389 213204738 /nfs/dbraw/zinc/20/47/38/213204738.db2.gz PZAIOZWXQXMZAQ-OAHLLOKOSA-N 1 1 315.329 1.787 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C(C)(C)C1 ZINC000593339082 355857677 /nfs/dbraw/zinc/85/76/77/355857677.db2.gz OCDXLWAFMSHAGH-UHFFFAOYSA-N 1 1 324.381 1.116 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C(C)(C)C1 ZINC000593339082 355857680 /nfs/dbraw/zinc/85/76/80/355857680.db2.gz OCDXLWAFMSHAGH-UHFFFAOYSA-N 1 1 324.381 1.116 20 5 DDBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000080796241 192192380 /nfs/dbraw/zinc/19/23/80/192192380.db2.gz CYMWYGMILNWELS-ZDUSSCGKSA-N 1 1 322.365 1.515 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000594716037 356294154 /nfs/dbraw/zinc/29/41/54/356294154.db2.gz GWZOXUPYWIFDGD-HUUCEWRRSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000594716037 356294158 /nfs/dbraw/zinc/29/41/58/356294158.db2.gz GWZOXUPYWIFDGD-HUUCEWRRSA-N 1 1 320.324 1.738 20 5 DDBDMO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CS1(=O)=O ZINC000594976966 356366529 /nfs/dbraw/zinc/36/65/29/356366529.db2.gz RGECIYWDELVJQY-MWLCHTKSSA-N 1 1 316.354 1.789 20 5 DDBDMO Cc1noc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595299526 356439532 /nfs/dbraw/zinc/43/95/32/356439532.db2.gz TUYQJYCZMIRWKZ-CYBMUJFWSA-N 1 1 324.381 1.578 20 5 DDBDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000595554418 356547982 /nfs/dbraw/zinc/54/79/82/356547982.db2.gz NYLAREDPGGRZGY-OUCADQQQSA-N 1 1 324.381 1.843 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595745023 356632206 /nfs/dbraw/zinc/63/22/06/356632206.db2.gz NWTKNHQNKCMWPL-IJLUTSLNSA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595833833 356670475 /nfs/dbraw/zinc/67/04/75/356670475.db2.gz RZRUGRHRWBHWCM-AGIUHOORSA-N 1 1 319.361 1.890 20 5 DDBDMO O=[N+]([O-])c1cc(F)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865086 356683995 /nfs/dbraw/zinc/68/39/95/356683995.db2.gz ZAQMHISDEYMVAP-HNNXBMFYSA-N 1 1 323.368 1.765 20 5 DDBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596074332 356762431 /nfs/dbraw/zinc/76/24/31/356762431.db2.gz RATPAFLIMLQSBE-UHFFFAOYSA-N 1 1 310.354 1.074 20 5 DDBDMO O=c1[nH]ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596079016 356765084 /nfs/dbraw/zinc/76/50/84/356765084.db2.gz ZEDDSIXNIWOHFW-GFCCVEGCSA-N 1 1 322.365 1.387 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1=CC[N@@H+](C)CC1 ZINC000596186505 356806130 /nfs/dbraw/zinc/80/61/30/356806130.db2.gz LILQSWMSGICHFX-SNVBAGLBSA-N 1 1 304.350 1.756 20 5 DDBDMO Nc1ccc(N2CCC([N@H+]3CCCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596269340 356838931 /nfs/dbraw/zinc/83/89/31/356838931.db2.gz RNUNSSMMWLQIJH-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCC23CC(C2)C[NH2+]3)n1 ZINC000596655750 356944274 /nfs/dbraw/zinc/94/42/74/356944274.db2.gz YMPOMNMHHOOICJ-ICRTXTNUSA-N 1 1 305.382 1.617 20 5 DDBDMO Cc1ccc(CN2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000597255551 357111492 /nfs/dbraw/zinc/11/14/92/357111492.db2.gz OQINIUIRFZGUEN-UHFFFAOYSA-N 1 1 315.377 1.959 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000597680587 357282341 /nfs/dbraw/zinc/28/23/41/357282341.db2.gz WYNCABKWTXFAGG-NSHDSACASA-N 1 1 322.365 1.248 20 5 DDBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597858109 357360745 /nfs/dbraw/zinc/36/07/45/357360745.db2.gz JQDGAGBXAZMYSQ-NSHDSACASA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597858109 357360747 /nfs/dbraw/zinc/36/07/47/357360747.db2.gz JQDGAGBXAZMYSQ-NSHDSACASA-N 1 1 307.350 1.903 20 5 DDBDMO CC(C)[C@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000347698175 283261918 /nfs/dbraw/zinc/26/19/18/283261918.db2.gz DAZSSPUETINCET-HNNXBMFYSA-N 1 1 323.349 1.451 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000598645102 357667366 /nfs/dbraw/zinc/66/73/66/357667366.db2.gz DOKXKCKRNLTKSL-BXUZGUMPSA-N 1 1 322.361 1.912 20 5 DDBDMO COC(=O)c1cnc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000276732709 213073021 /nfs/dbraw/zinc/07/30/21/213073021.db2.gz LPWMCRZMLCBQFO-UHFFFAOYSA-N 1 1 319.321 1.784 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599544294 357967580 /nfs/dbraw/zinc/96/75/80/357967580.db2.gz ZKAOVJMAYWXBGC-ZDUSSCGKSA-N 1 1 324.381 1.045 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571976 357979676 /nfs/dbraw/zinc/97/96/76/357979676.db2.gz ZCCKYLTXPDUSBQ-UHFFFAOYSA-N 1 1 307.350 1.892 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](C2CC2)CC1 ZINC000601108270 358404516 /nfs/dbraw/zinc/40/45/16/358404516.db2.gz FYHMWRGHVZQSFD-UHFFFAOYSA-N 1 1 319.287 1.632 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](O)[C@H]3CCCO3)c2c1 ZINC000601201018 358445275 /nfs/dbraw/zinc/44/52/75/358445275.db2.gz JVICIHBNMZFSBM-LSDHHAIUSA-N 1 1 303.318 1.517 20 5 DDBDMO CCc1nn(C)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149544 358422443 /nfs/dbraw/zinc/42/24/43/358422443.db2.gz NXUKXUZYKOJOAC-MRXNPFEDSA-N 1 1 318.377 1.888 20 5 DDBDMO O=C1C[C@@]2(CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000601155806 358424961 /nfs/dbraw/zinc/42/49/61/358424961.db2.gz GPWXLBPOHRCSTP-INIZCTEOSA-N 1 1 312.329 1.859 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000601192549 358440634 /nfs/dbraw/zinc/44/06/34/358440634.db2.gz WRZFDEIKWGJSEF-CYBMUJFWSA-N 1 1 320.393 1.875 20 5 DDBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000420588276 283386295 /nfs/dbraw/zinc/38/62/95/283386295.db2.gz RVKSWZYIHKBRJA-UHFFFAOYSA-N 1 1 315.333 1.801 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](CO)C1 ZINC000601979433 358763671 /nfs/dbraw/zinc/76/36/71/358763671.db2.gz FZAVYLXSIBOFLA-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)CCc1ccccc1 ZINC000602786169 359189936 /nfs/dbraw/zinc/18/99/36/359189936.db2.gz OKDTYORWMVEMKQ-UHFFFAOYSA-N 1 1 318.377 1.637 20 5 DDBDMO Cn1cc(C[NH+]2CCC(Nc3ccccn3)CC2)c([N+](=O)[O-])n1 ZINC000602795683 359197636 /nfs/dbraw/zinc/19/76/36/359197636.db2.gz BQRKZFHQLFAQBH-UHFFFAOYSA-N 1 1 316.365 1.800 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000602815658 359211999 /nfs/dbraw/zinc/21/19/99/359211999.db2.gz FOWZWGKTNWPINC-JTQLQIEISA-N 1 1 311.386 1.335 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000602815658 359212005 /nfs/dbraw/zinc/21/20/05/359212005.db2.gz FOWZWGKTNWPINC-JTQLQIEISA-N 1 1 311.386 1.335 20 5 DDBDMO Cc1ccc(C[N@H+](CCO)CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602821617 359215865 /nfs/dbraw/zinc/21/58/65/359215865.db2.gz PLNKUVNVXWKHMS-UHFFFAOYSA-N 1 1 308.338 1.496 20 5 DDBDMO Cc1ccc(C[N@@H+](CCO)CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602821617 359215869 /nfs/dbraw/zinc/21/58/69/359215869.db2.gz PLNKUVNVXWKHMS-UHFFFAOYSA-N 1 1 308.338 1.496 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602892177 359275758 /nfs/dbraw/zinc/27/57/58/359275758.db2.gz MLBSMUKRWOIGQQ-ZDUSSCGKSA-N 1 1 319.369 1.418 20 5 DDBDMO CN(C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602962537 359324995 /nfs/dbraw/zinc/32/49/95/359324995.db2.gz LZQQAEKRUJGXJD-OAHLLOKOSA-N 1 1 307.350 1.013 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997844 359346809 /nfs/dbraw/zinc/34/68/09/359346809.db2.gz RXEPSEKECZRDHI-KKUMJFAQSA-N 1 1 321.377 1.382 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000603400392 359616456 /nfs/dbraw/zinc/61/64/56/359616456.db2.gz HLLCJWDUHKEZBL-GFCCVEGCSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000186955033 200038141 /nfs/dbraw/zinc/03/81/41/200038141.db2.gz VCEOYVBCGKHQMJ-CHWSQXEVSA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@@](C[NH3+])(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000237638910 202313317 /nfs/dbraw/zinc/31/33/17/202313317.db2.gz PTNGKAQLVAAWBN-AWEZNQCLSA-N 1 1 303.322 1.328 20 5 DDBDMO CNc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900751 360567553 /nfs/dbraw/zinc/56/75/53/360567553.db2.gz KAQDYUUAGJOTTC-YGRLFVJLSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900751 360567559 /nfs/dbraw/zinc/56/75/59/360567559.db2.gz KAQDYUUAGJOTTC-YGRLFVJLSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900748 360567987 /nfs/dbraw/zinc/56/79/87/360567987.db2.gz KAQDYUUAGJOTTC-HZMBPMFUSA-N 1 1 322.365 1.085 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900748 360567993 /nfs/dbraw/zinc/56/79/93/360567993.db2.gz KAQDYUUAGJOTTC-HZMBPMFUSA-N 1 1 322.365 1.085 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611512044 360742016 /nfs/dbraw/zinc/74/20/16/360742016.db2.gz YACOOVGFGPIIHO-JTQLQIEISA-N 1 1 319.317 1.290 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCCO)C1CC1 ZINC000612077641 360911890 /nfs/dbraw/zinc/91/18/90/360911890.db2.gz FYNUEMOPHGSLKS-ZDUSSCGKSA-N 1 1 310.350 1.181 20 5 DDBDMO O=[N+]([O-])c1ncccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000619745956 364138880 /nfs/dbraw/zinc/13/88/80/364138880.db2.gz YDOILUHDMFAQEP-CYBMUJFWSA-N 1 1 306.366 1.538 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000349976893 284124725 /nfs/dbraw/zinc/12/47/25/284124725.db2.gz XOZLZBKCEWBSPV-UHFFFAOYSA-N 1 1 306.322 1.077 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCO ZINC000267873320 206313610 /nfs/dbraw/zinc/31/36/10/206313610.db2.gz CWKVOYWTHICIAE-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCO ZINC000267873320 206313614 /nfs/dbraw/zinc/31/36/14/206313614.db2.gz CWKVOYWTHICIAE-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285090684 218286656 /nfs/dbraw/zinc/28/66/56/218286656.db2.gz DMCBIJLQIVNOMV-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(O)CCC1 ZINC000353482959 207380806 /nfs/dbraw/zinc/38/08/06/207380806.db2.gz GHMQZHRDONKHNL-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1(O)CCC1 ZINC000353482959 207380808 /nfs/dbraw/zinc/38/08/08/207380808.db2.gz GHMQZHRDONKHNL-UHFFFAOYSA-N 1 1 318.333 1.992 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCSC1 ZINC000119892368 195056573 /nfs/dbraw/zinc/05/65/73/195056573.db2.gz DFWLCNYVMOKLCN-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCSC1 ZINC000119892368 195056576 /nfs/dbraw/zinc/05/65/76/195056576.db2.gz DFWLCNYVMOKLCN-ZDUSSCGKSA-N 1 1 321.402 1.921 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119969190 195071983 /nfs/dbraw/zinc/07/19/83/195071983.db2.gz JKZDFLFYUMMLKC-UHFFFAOYSA-N 1 1 315.395 1.442 20 5 DDBDMO CNc1nc(C(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457170185 533076122 /nfs/dbraw/zinc/07/61/22/533076122.db2.gz FYXCQSPBIMPDCO-UHFFFAOYSA-N 1 1 321.381 1.636 20 5 DDBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000121848977 195360644 /nfs/dbraw/zinc/36/06/44/195360644.db2.gz DWVAZBZPNKPVMU-CYBMUJFWSA-N 1 1 320.393 1.208 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121624880 195320020 /nfs/dbraw/zinc/32/00/20/195320020.db2.gz BFVHPNCNYMQYKK-ZDUSSCGKSA-N 1 1 321.425 1.984 20 5 DDBDMO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccco1 ZINC000122437649 195451620 /nfs/dbraw/zinc/45/16/20/195451620.db2.gz KLZKWGXSGNUWAT-SNVBAGLBSA-N 1 1 321.337 1.724 20 5 DDBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000330741297 533658508 /nfs/dbraw/zinc/65/85/08/533658508.db2.gz RQWBTAPZQOPWCK-UHFFFAOYSA-N 1 1 309.370 1.573 20 5 DDBDMO C[NH+](C)CC(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000074441969 406912751 /nfs/dbraw/zinc/91/27/51/406912751.db2.gz UVDMVQMTCJRCEY-UHFFFAOYSA-N 1 1 319.365 1.789 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153782 407125237 /nfs/dbraw/zinc/12/52/37/407125237.db2.gz LMICUORNKNXPPL-HOTGVXAUSA-N 1 1 322.361 1.853 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000089153782 407125240 /nfs/dbraw/zinc/12/52/40/407125240.db2.gz LMICUORNKNXPPL-HOTGVXAUSA-N 1 1 322.361 1.853 20 5 DDBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000090465493 407168077 /nfs/dbraw/zinc/16/80/77/407168077.db2.gz DLHBHDLOSCFXCP-MNOVXSKESA-N 1 1 309.322 1.171 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])o1 ZINC000090465493 407168079 /nfs/dbraw/zinc/16/80/79/407168079.db2.gz DLHBHDLOSCFXCP-MNOVXSKESA-N 1 1 309.322 1.171 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(C)C ZINC000102897104 407328509 /nfs/dbraw/zinc/32/85/09/407328509.db2.gz WVQNTRQKHNBNAT-UHFFFAOYSA-N 1 1 312.345 1.776 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000185774960 407499337 /nfs/dbraw/zinc/49/93/37/407499337.db2.gz AQKWFDRVPVZNHT-ZJUUUORDSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000185774960 407499345 /nfs/dbraw/zinc/49/93/45/407499345.db2.gz AQKWFDRVPVZNHT-ZJUUUORDSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000185774960 407499352 /nfs/dbraw/zinc/49/93/52/407499352.db2.gz AQKWFDRVPVZNHT-ZJUUUORDSA-N 1 1 307.354 1.189 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225316914 407581372 /nfs/dbraw/zinc/58/13/72/407581372.db2.gz MEJMBFGNHDZNBO-ZDUSSCGKSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CCN(C)[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000225316914 407581378 /nfs/dbraw/zinc/58/13/78/407581378.db2.gz MEJMBFGNHDZNBO-ZDUSSCGKSA-N 1 1 312.801 1.584 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000178763724 407590540 /nfs/dbraw/zinc/59/05/40/407590540.db2.gz MZHMXAORDXUXKO-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000178760060 407591110 /nfs/dbraw/zinc/59/11/10/407591110.db2.gz FNNGOLQTRZYCFE-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171127661 407607575 /nfs/dbraw/zinc/60/75/75/407607575.db2.gz KCTUOGATBLIJHQ-UHFFFAOYSA-N 1 1 320.349 1.384 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000117295014 407828176 /nfs/dbraw/zinc/82/81/76/407828176.db2.gz WUISOKGMAHPNAD-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000117295014 407828179 /nfs/dbraw/zinc/82/81/79/407828179.db2.gz WUISOKGMAHPNAD-CYBMUJFWSA-N 1 1 321.377 1.696 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187298901 407842609 /nfs/dbraw/zinc/84/26/09/407842609.db2.gz LUKSVFFKQPLLRU-KTRBRXNASA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187298901 407842615 /nfs/dbraw/zinc/84/26/15/407842615.db2.gz LUKSVFFKQPLLRU-KTRBRXNASA-N 1 1 319.361 1.133 20 5 DDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000118494668 407920014 /nfs/dbraw/zinc/92/00/14/407920014.db2.gz WUBQLYLMQQJZNM-SNVBAGLBSA-N 1 1 322.321 1.493 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268188249 407937099 /nfs/dbraw/zinc/93/70/99/407937099.db2.gz YSLYYJPAQNBHQN-UHFFFAOYSA-N 1 1 313.354 1.513 20 5 DDBDMO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262812749 407941211 /nfs/dbraw/zinc/94/12/11/407941211.db2.gz YLJQOWKADJRFJA-SCZZXKLOSA-N 1 1 317.342 1.010 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026235 /nfs/dbraw/zinc/02/62/35/408026235.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026267 /nfs/dbraw/zinc/02/62/67/408026267.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 1 1 322.409 1.419 20 5 DDBDMO CCN1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026272 /nfs/dbraw/zinc/02/62/72/408026272.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 1 1 322.409 1.419 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154377239 408027754 /nfs/dbraw/zinc/02/77/54/408027754.db2.gz MJXZZJCNKWQYLU-CJNGLKHVSA-N 1 1 324.377 1.613 20 5 DDBDMO C[N@@H+](CCOCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000154712611 408073477 /nfs/dbraw/zinc/07/34/77/408073477.db2.gz IMLNNEIAWXTKLB-UHFFFAOYSA-N 1 1 304.350 1.940 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOCC(F)F)C2)nc1 ZINC000189677552 408077162 /nfs/dbraw/zinc/07/71/62/408077162.db2.gz VBZSFNHBNMBFGS-SNVBAGLBSA-N 1 1 316.308 1.758 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000189722695 408090495 /nfs/dbraw/zinc/09/04/95/408090495.db2.gz YWVTZMFIBSKNPA-LVDDQXARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246258568 408194168 /nfs/dbraw/zinc/19/41/68/408194168.db2.gz KNVDZKVPTDSYKV-VHDGCEQUSA-N 1 1 324.377 1.570 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000190191332 408185105 /nfs/dbraw/zinc/18/51/05/408185105.db2.gz DZPKIAJOPBUWEM-UHFFFAOYSA-N 1 1 303.265 1.074 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CO ZINC000190440529 408246767 /nfs/dbraw/zinc/24/67/67/408246767.db2.gz MYQNXVSWHMYHLY-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000263802368 408265476 /nfs/dbraw/zinc/26/54/76/408265476.db2.gz TVSKRFHXOWNMJH-UHFFFAOYSA-N 1 1 320.349 1.384 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155943624 408228885 /nfs/dbraw/zinc/22/88/85/408228885.db2.gz HUBJICSKXCWNDC-MFKMUULPSA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155943624 408228890 /nfs/dbraw/zinc/22/88/90/408228890.db2.gz HUBJICSKXCWNDC-MFKMUULPSA-N 1 1 313.379 1.279 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000121516683 408229593 /nfs/dbraw/zinc/22/95/93/408229593.db2.gz QCZHVDCRFWLFDL-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549186 408351652 /nfs/dbraw/zinc/35/16/52/408351652.db2.gz XJARPNMCFVNIPB-GHMZBOCLSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549186 408351657 /nfs/dbraw/zinc/35/16/57/408351657.db2.gz XJARPNMCFVNIPB-GHMZBOCLSA-N 1 1 323.397 1.854 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269549186 408351661 /nfs/dbraw/zinc/35/16/61/408351661.db2.gz XJARPNMCFVNIPB-GHMZBOCLSA-N 1 1 323.397 1.854 20 5 DDBDMO COCCCNC(=O)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000159477920 162148573 /nfs/dbraw/zinc/14/85/73/162148573.db2.gz QJBBQGXUTYELRC-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO COCCCNC(=O)C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000159477920 162148576 /nfs/dbraw/zinc/14/85/76/162148576.db2.gz QJBBQGXUTYELRC-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000171576074 162225838 /nfs/dbraw/zinc/22/58/38/162225838.db2.gz XCLUQTDWERMZDV-UHFFFAOYSA-N 1 1 306.366 1.902 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000172832756 162307165 /nfs/dbraw/zinc/30/71/65/162307165.db2.gz QCHLORYYCVBTDK-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000172940892 162311678 /nfs/dbraw/zinc/31/16/78/162311678.db2.gz XYVJLBNPFBYHTD-ZDUSSCGKSA-N 1 1 323.368 1.888 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000172940892 162311681 /nfs/dbraw/zinc/31/16/81/162311681.db2.gz XYVJLBNPFBYHTD-ZDUSSCGKSA-N 1 1 323.368 1.888 20 5 DDBDMO Cc1cc(C(=O)NCCC[N@H+](C)C(C)C)c(N)c([N+](=O)[O-])c1 ZINC000264219779 408410472 /nfs/dbraw/zinc/41/04/72/408410472.db2.gz JRJNRDITMCKAMQ-UHFFFAOYSA-N 1 1 308.382 1.946 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000191772693 408487787 /nfs/dbraw/zinc/48/77/87/408487787.db2.gz CYNJYGWUYIRUAQ-NSHDSACASA-N 1 1 309.370 1.273 20 5 DDBDMO COc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184255755 408578969 /nfs/dbraw/zinc/57/89/69/408578969.db2.gz DZDMIVYSYIFENA-GFCCVEGCSA-N 1 1 313.329 1.732 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000248584174 408592034 /nfs/dbraw/zinc/59/20/34/408592034.db2.gz QQHCYTHPSTUFMN-OUCADQQQSA-N 1 1 310.350 1.037 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275544150 408595118 /nfs/dbraw/zinc/59/51/18/408595118.db2.gz ZLRIYRBXYMLJQS-ZFWWWQNUSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1CC(C)(C)O ZINC000192543032 408607961 /nfs/dbraw/zinc/60/79/61/408607961.db2.gz UYPIGKHIUNQWTJ-SECBINFHSA-N 1 1 300.384 1.333 20 5 DDBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+]1CC(C)(C)O ZINC000192543032 408607969 /nfs/dbraw/zinc/60/79/69/408607969.db2.gz UYPIGKHIUNQWTJ-SECBINFHSA-N 1 1 300.384 1.333 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000192680936 408631418 /nfs/dbraw/zinc/63/14/18/408631418.db2.gz CTAOZEDNXZEFTQ-OAHLLOKOSA-N 1 1 318.333 1.077 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000192680936 408631424 /nfs/dbraw/zinc/63/14/24/408631424.db2.gz CTAOZEDNXZEFTQ-OAHLLOKOSA-N 1 1 318.333 1.077 20 5 DDBDMO COCC[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000192742859 408642034 /nfs/dbraw/zinc/64/20/34/408642034.db2.gz RJPIGXFLARZIPN-VOTSOKGWSA-N 1 1 319.361 1.399 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270761445 408669827 /nfs/dbraw/zinc/66/98/27/408669827.db2.gz MTKAFFZOLWEBHW-MNOVXSKESA-N 1 1 309.370 1.179 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000275923722 408720888 /nfs/dbraw/zinc/72/08/88/408720888.db2.gz UUPYKLJTYPFYEI-UHFFFAOYSA-N 1 1 323.397 1.998 20 5 DDBDMO CS(=O)(=O)c1cccc(NCC(F)(F)C[NH3+])c1[N+](=O)[O-] ZINC000162686783 408726706 /nfs/dbraw/zinc/72/67/06/408726706.db2.gz HRXJMWMEPKLEAI-UHFFFAOYSA-N 1 1 309.294 1.004 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000185348428 408797259 /nfs/dbraw/zinc/79/72/59/408797259.db2.gz PYSMSUBTOLIZLK-UHFFFAOYSA-N 1 1 310.354 1.339 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185170918 408773510 /nfs/dbraw/zinc/77/35/10/408773510.db2.gz RNNXSXOCVFASRQ-HNNXBMFYSA-N 1 1 308.334 1.465 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185170918 408773515 /nfs/dbraw/zinc/77/35/15/408773515.db2.gz RNNXSXOCVFASRQ-HNNXBMFYSA-N 1 1 308.334 1.465 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276223849 408826256 /nfs/dbraw/zinc/82/62/56/408826256.db2.gz BMJLJVQOOXPDMQ-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CCCCO)c([N+](=O)[O-])c1 ZINC000276223849 408826257 /nfs/dbraw/zinc/82/62/57/408826257.db2.gz BMJLJVQOOXPDMQ-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000285631148 408832398 /nfs/dbraw/zinc/83/23/98/408832398.db2.gz AFKVZRCVMLADTK-GXSJLCMTSA-N 1 1 322.287 1.284 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285704936 408847106 /nfs/dbraw/zinc/84/71/06/408847106.db2.gz IYVGSUYMFUFCBY-KBPBESRZSA-N 1 1 305.334 1.140 20 5 DDBDMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000285826302 408871682 /nfs/dbraw/zinc/87/16/82/408871682.db2.gz PDGPJDBCRMDJGP-VHSXEESVSA-N 1 1 311.363 1.201 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000285826302 408871684 /nfs/dbraw/zinc/87/16/84/408871684.db2.gz PDGPJDBCRMDJGP-VHSXEESVSA-N 1 1 311.363 1.201 20 5 DDBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000189208425 163089226 /nfs/dbraw/zinc/08/92/26/163089226.db2.gz OLVGBTGYXMZFMG-NSHDSACASA-N 1 1 307.350 1.593 20 5 DDBDMO CCc1n[nH]c(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000190676485 163152337 /nfs/dbraw/zinc/15/23/37/163152337.db2.gz AAEDUSJJVBGPHY-UHFFFAOYSA-N 1 1 319.369 1.351 20 5 DDBDMO CCc1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000190676485 163152338 /nfs/dbraw/zinc/15/23/38/163152338.db2.gz AAEDUSJJVBGPHY-UHFFFAOYSA-N 1 1 319.369 1.351 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292141079 408988673 /nfs/dbraw/zinc/98/86/73/408988673.db2.gz JNQYFQFKCHVJFA-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292141079 408988674 /nfs/dbraw/zinc/98/86/74/408988674.db2.gz JNQYFQFKCHVJFA-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000292269744 409013137 /nfs/dbraw/zinc/01/31/37/409013137.db2.gz QARTYDXPLQBCIV-INIZCTEOSA-N 1 1 319.361 1.771 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000287449633 409038187 /nfs/dbraw/zinc/03/81/87/409038187.db2.gz VPIHIZZALMAQPN-GFCCVEGCSA-N 1 1 309.341 1.892 20 5 DDBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000278814252 409094435 /nfs/dbraw/zinc/09/44/35/409094435.db2.gz SOUQIJLIJFPBQK-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486157 409224257 /nfs/dbraw/zinc/22/42/57/409224257.db2.gz RENRAPWRKUQVIZ-RNCFNFMXSA-N 1 1 324.356 1.728 20 5 DDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000280337217 409294171 /nfs/dbraw/zinc/29/41/71/409294171.db2.gz VUKNNQPDPOOOHL-UHFFFAOYSA-N 1 1 319.361 1.742 20 5 DDBDMO CCS(=O)(=O)NCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285275087 409407847 /nfs/dbraw/zinc/40/78/47/409407847.db2.gz IYCPSKQPPQFGNQ-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO CCS(=O)(=O)NCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285275087 409407850 /nfs/dbraw/zinc/40/78/50/409407850.db2.gz IYCPSKQPPQFGNQ-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO NC(=O)c1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317043685 164025214 /nfs/dbraw/zinc/02/52/14/164025214.db2.gz VBVFLVVBINSNDH-RYUDHWBXSA-N 1 1 304.350 1.732 20 5 DDBDMO Nc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000317417117 164027223 /nfs/dbraw/zinc/02/72/23/164027223.db2.gz YIWQBNGOTMTALC-WDEREUQCSA-N 1 1 304.350 1.534 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000317768834 164029181 /nfs/dbraw/zinc/02/91/81/164029181.db2.gz QKAMYUGUZPNYOR-CHWSQXEVSA-N 1 1 307.350 1.879 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000356823130 409638795 /nfs/dbraw/zinc/63/87/95/409638795.db2.gz SXFBKXSPSVGPIY-LBPRGKRZSA-N 1 1 309.366 1.819 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1CO ZINC000304220402 409581294 /nfs/dbraw/zinc/58/12/94/409581294.db2.gz INAKFEYRYIZXMR-GFCCVEGCSA-N 1 1 321.333 1.350 20 5 DDBDMO COc1c(C(=O)N(C)CC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000356776160 409595107 /nfs/dbraw/zinc/59/51/07/409595107.db2.gz JSVWPNLFLWGWCR-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296788002 409642210 /nfs/dbraw/zinc/64/22/10/409642210.db2.gz QNVUGJWMFUCFGU-OAHLLOKOSA-N 1 1 307.350 1.892 20 5 DDBDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000296788002 409642222 /nfs/dbraw/zinc/64/22/22/409642222.db2.gz QNVUGJWMFUCFGU-OAHLLOKOSA-N 1 1 307.350 1.892 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406688 409832312 /nfs/dbraw/zinc/83/23/12/409832312.db2.gz VZSMNDUYQDIFAZ-MWLCHTKSSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406688 409832319 /nfs/dbraw/zinc/83/23/19/409832319.db2.gz VZSMNDUYQDIFAZ-MWLCHTKSSA-N 1 1 309.370 1.571 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1C ZINC000354406688 409832327 /nfs/dbraw/zinc/83/23/27/409832327.db2.gz VZSMNDUYQDIFAZ-MWLCHTKSSA-N 1 1 309.370 1.571 20 5 DDBDMO COc1cccc(C(=O)NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000338316002 409899865 /nfs/dbraw/zinc/89/98/65/409899865.db2.gz FYLGIKHHYPAYAK-UHFFFAOYSA-N 1 1 318.333 1.928 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338465843 410010860 /nfs/dbraw/zinc/01/08/60/410010860.db2.gz YRIJECOQGZWOLW-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000357663689 410171330 /nfs/dbraw/zinc/17/13/30/410171330.db2.gz LZSLZOLLHHSKLM-LBPRGKRZSA-N 1 1 313.379 1.276 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355337101 410451971 /nfs/dbraw/zinc/45/19/71/410451971.db2.gz PRRPGHRCWWRBDP-UHFFFAOYSA-N 1 1 303.362 1.906 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358408009 410461753 /nfs/dbraw/zinc/46/17/53/410461753.db2.gz GOLHVTBXCIUCER-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000347480440 410575731 /nfs/dbraw/zinc/57/57/31/410575731.db2.gz RCPNUUPTIDFHAB-STQMWFEESA-N 1 1 312.366 1.427 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@H+](C)C(C)C ZINC000299518042 410595551 /nfs/dbraw/zinc/59/55/51/410595551.db2.gz OHISQRNMOADBCJ-UHFFFAOYSA-N 1 1 311.386 1.336 20 5 DDBDMO C[C@@H]1[C@H](C)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000343718213 410642684 /nfs/dbraw/zinc/64/26/84/410642684.db2.gz CZLLPQJUQRXBKB-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343718213 410642693 /nfs/dbraw/zinc/64/26/93/410642693.db2.gz CZLLPQJUQRXBKB-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1n[nH]c(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000330530010 410753530 /nfs/dbraw/zinc/75/35/30/410753530.db2.gz RIDFLTMJCAVRNQ-UHFFFAOYSA-N 1 1 309.370 1.621 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C1 ZINC000330553635 410772479 /nfs/dbraw/zinc/77/24/79/410772479.db2.gz CTZBMIFKUOKCGS-WDEREUQCSA-N 1 1 309.370 1.131 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565224 410781614 /nfs/dbraw/zinc/78/16/14/410781614.db2.gz ACZKFZRTZIDVSU-QWHCGFSZSA-N 1 1 320.393 1.582 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330569428 410785620 /nfs/dbraw/zinc/78/56/20/410785620.db2.gz MCUIDYLCPHOQLE-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301913966 410825789 /nfs/dbraw/zinc/82/57/89/410825789.db2.gz CTKCXNPCPMXCNC-UHFFFAOYSA-N 1 1 315.337 1.669 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000343995407 410875669 /nfs/dbraw/zinc/87/56/69/410875669.db2.gz QISFDSGASFYJDQ-RUAUBTSSSA-N 1 1 322.361 1.037 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882402 410902013 /nfs/dbraw/zinc/90/20/13/410902013.db2.gz ZSFLJIARVHBWQJ-MNOVXSKESA-N 1 1 309.341 2.000 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000330882402 410902017 /nfs/dbraw/zinc/90/20/17/410902017.db2.gz ZSFLJIARVHBWQJ-MNOVXSKESA-N 1 1 309.341 2.000 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000348307511 410910592 /nfs/dbraw/zinc/91/05/92/410910592.db2.gz MARAAYRSUFFCHK-NSHDSACASA-N 1 1 317.349 1.926 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126543 410965557 /nfs/dbraw/zinc/96/55/57/410965557.db2.gz HTGIQLWNOLWQDX-GFCCVEGCSA-N 1 1 323.397 1.683 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126543 410965559 /nfs/dbraw/zinc/96/55/59/410965559.db2.gz HTGIQLWNOLWQDX-GFCCVEGCSA-N 1 1 323.397 1.683 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126543 410965561 /nfs/dbraw/zinc/96/55/61/410965561.db2.gz HTGIQLWNOLWQDX-GFCCVEGCSA-N 1 1 323.397 1.683 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344121036 410970830 /nfs/dbraw/zinc/97/08/30/410970830.db2.gz DZRQLJBNZDCQAO-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344121036 410970836 /nfs/dbraw/zinc/97/08/36/410970836.db2.gz DZRQLJBNZDCQAO-CHWSQXEVSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356284391 410943973 /nfs/dbraw/zinc/94/39/73/410943973.db2.gz PBYBKJYFDVZRCO-VXGBXAGGSA-N 1 1 308.382 1.736 20 5 DDBDMO C[NH+](C)Cc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000134480996 196395628 /nfs/dbraw/zinc/39/56/28/196395628.db2.gz KLNQWSYBJLRDDW-UHFFFAOYSA-N 1 1 303.322 1.310 20 5 DDBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373929403 418474754 /nfs/dbraw/zinc/47/47/54/418474754.db2.gz ORJPRKPDEMNBOV-OLZOCXBDSA-N 1 1 319.361 1.717 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000360662144 418486849 /nfs/dbraw/zinc/48/68/49/418486849.db2.gz FEAOBPVJDNDGKJ-GFCCVEGCSA-N 1 1 321.381 1.298 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000191648136 418522328 /nfs/dbraw/zinc/52/23/28/418522328.db2.gz SZZHSEVRIDOBES-MNOVXSKESA-N 1 1 307.354 1.120 20 5 DDBDMO Cc1c([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000360848406 418533817 /nfs/dbraw/zinc/53/38/17/418533817.db2.gz KJNFMOQACJLTCD-ZDUSSCGKSA-N 1 1 304.354 1.670 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000375057013 418597602 /nfs/dbraw/zinc/59/76/02/418597602.db2.gz DPTNQYBJAPRMEX-SWLSCSKDSA-N 1 1 319.361 1.526 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000375057010 418598005 /nfs/dbraw/zinc/59/80/05/418598005.db2.gz DPTNQYBJAPRMEX-DOMZBBRYSA-N 1 1 319.361 1.526 20 5 DDBDMO CNc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000361220807 418607551 /nfs/dbraw/zinc/60/75/51/418607551.db2.gz MNRSOIYXDAIYCS-GFCCVEGCSA-N 1 1 318.377 1.945 20 5 DDBDMO CN(CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000361353925 418632718 /nfs/dbraw/zinc/63/27/18/418632718.db2.gz JGDGPGWREBSERO-GFCCVEGCSA-N 1 1 318.377 1.384 20 5 DDBDMO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c[nH+]1 ZINC000344427538 418633522 /nfs/dbraw/zinc/63/35/22/418633522.db2.gz FQTWWTLVLYKQFQ-UHFFFAOYSA-N 1 1 300.322 1.294 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000368240621 418708585 /nfs/dbraw/zinc/70/85/85/418708585.db2.gz DHANKWIXMBMHNI-UPJWGTAASA-N 1 1 308.334 1.198 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000368240621 418708586 /nfs/dbraw/zinc/70/85/86/418708586.db2.gz DHANKWIXMBMHNI-UPJWGTAASA-N 1 1 308.334 1.198 20 5 DDBDMO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000361463929 418657288 /nfs/dbraw/zinc/65/72/88/418657288.db2.gz HRZLKUZCMRIETO-ZDUSSCGKSA-N 1 1 316.379 1.839 20 5 DDBDMO COc1ccc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000361563861 418679192 /nfs/dbraw/zinc/67/91/92/418679192.db2.gz LMIMPQYUSNQCTM-YPMHNXCESA-N 1 1 310.350 1.575 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000361575867 418682799 /nfs/dbraw/zinc/68/27/99/418682799.db2.gz FKUGGPSGNIYVEV-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCOC1 ZINC000361575867 418682802 /nfs/dbraw/zinc/68/28/02/418682802.db2.gz FKUGGPSGNIYVEV-CQSZACIVSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904683 418738457 /nfs/dbraw/zinc/73/84/57/418738457.db2.gz PRYPEQPVFFEBJJ-DGCLKSJQSA-N 1 1 307.350 1.626 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000385904683 418738458 /nfs/dbraw/zinc/73/84/58/418738458.db2.gz PRYPEQPVFFEBJJ-DGCLKSJQSA-N 1 1 307.350 1.626 20 5 DDBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411420296 418902633 /nfs/dbraw/zinc/90/26/33/418902633.db2.gz JIUDIBBQMPHMIF-MNOVXSKESA-N 1 1 323.349 1.387 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000373184759 418931051 /nfs/dbraw/zinc/93/10/51/418931051.db2.gz XKQRDGBDSMYJOL-JTQLQIEISA-N 1 1 308.338 1.103 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC12CCC2 ZINC000373184759 418931052 /nfs/dbraw/zinc/93/10/52/418931052.db2.gz XKQRDGBDSMYJOL-JTQLQIEISA-N 1 1 308.338 1.103 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411758361 419400117 /nfs/dbraw/zinc/40/01/17/419400117.db2.gz NOIOCFHCQHWWOP-FZMZJTMJSA-N 1 1 307.350 1.769 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417941280 419404141 /nfs/dbraw/zinc/40/41/41/419404141.db2.gz MYLGOBGYWUBBDY-UHFFFAOYSA-N 1 1 302.281 1.031 20 5 DDBDMO COc1cc(CN2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000426484128 419484001 /nfs/dbraw/zinc/48/40/01/419484001.db2.gz KZIDLFIZJLALFQ-GFCCVEGCSA-N 1 1 309.366 1.102 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[N@H+]1C ZINC000421002727 419442229 /nfs/dbraw/zinc/44/22/29/419442229.db2.gz MOXRGLXWLLBSRP-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000421026670 419455798 /nfs/dbraw/zinc/45/57/98/419455798.db2.gz UODNIWIVZRKGLJ-NEPJUHHUSA-N 1 1 310.350 1.827 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000427266952 419629193 /nfs/dbraw/zinc/62/91/93/419629193.db2.gz MNIUHZNNJBBBGL-UHFFFAOYSA-N 1 1 323.275 1.322 20 5 DDBDMO CC[N@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427266952 419629212 /nfs/dbraw/zinc/62/92/12/419629212.db2.gz MNIUHZNNJBBBGL-UHFFFAOYSA-N 1 1 323.275 1.322 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427266952 419629218 /nfs/dbraw/zinc/62/92/18/419629218.db2.gz MNIUHZNNJBBBGL-UHFFFAOYSA-N 1 1 323.275 1.322 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]([NH3+])C1CC1 ZINC000423317285 420011631 /nfs/dbraw/zinc/01/16/31/420011631.db2.gz KGMTZPDVIJGKJM-IINYFYTJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](N)C1CC1 ZINC000423317285 420011636 /nfs/dbraw/zinc/01/16/36/420011636.db2.gz KGMTZPDVIJGKJM-IINYFYTJSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNCC[C@@H]1C ZINC000423355972 420024949 /nfs/dbraw/zinc/02/49/49/420024949.db2.gz GCHPJJCJACRMQK-YWPYICTPSA-N 1 1 320.393 1.900 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C[N@@H+]1CCO ZINC000418996946 420040918 /nfs/dbraw/zinc/04/09/18/420040918.db2.gz FSHWWNFVEOOGTB-ZJUUUORDSA-N 1 1 312.345 1.207 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)[C@@H](C)C[N@H+]1CCO ZINC000418996946 420040922 /nfs/dbraw/zinc/04/09/22/420040922.db2.gz FSHWWNFVEOOGTB-ZJUUUORDSA-N 1 1 312.345 1.207 20 5 DDBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC1 ZINC000430239612 420094500 /nfs/dbraw/zinc/09/45/00/420094500.db2.gz BFZHMHLSRPQHSE-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCOC1 ZINC000430239612 420094504 /nfs/dbraw/zinc/09/45/04/420094504.db2.gz BFZHMHLSRPQHSE-CQSZACIVSA-N 1 1 310.350 1.841 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CO)(OC)CC1 ZINC000430247949 420095748 /nfs/dbraw/zinc/09/57/48/420095748.db2.gz XKMWATCTAJNXTG-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000420324817 420209513 /nfs/dbraw/zinc/20/95/13/420209513.db2.gz BCNVERRSGCYPSH-DOMZBBRYSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000420324817 420209515 /nfs/dbraw/zinc/20/95/15/420209515.db2.gz BCNVERRSGCYPSH-DOMZBBRYSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH3+])CC1 ZINC000430606786 420155936 /nfs/dbraw/zinc/15/59/36/420155936.db2.gz WKNUSTXGPUXZOS-NSHDSACASA-N 1 1 306.366 1.593 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420766108 420383417 /nfs/dbraw/zinc/38/34/17/420383417.db2.gz LWBQONSKGARSOZ-GFCCVEGCSA-N 1 1 313.379 1.310 20 5 DDBDMO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000444979772 230147713 /nfs/dbraw/zinc/14/77/13/230147713.db2.gz AYEUQKMBXFCPBD-NSHDSACASA-N 1 1 306.322 1.004 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450800283 420533475 /nfs/dbraw/zinc/53/34/75/420533475.db2.gz YOOHJBGKHKWIBU-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450800283 420533479 /nfs/dbraw/zinc/53/34/79/420533479.db2.gz YOOHJBGKHKWIBU-TXEJJXNPSA-N 1 1 321.377 1.689 20 5 DDBDMO C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458894430 420756621 /nfs/dbraw/zinc/75/66/21/420756621.db2.gz YJCZUGXBDWYSHD-NHYWBVRUSA-N 1 1 322.365 1.022 20 5 DDBDMO CCC1C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000453601316 420734683 /nfs/dbraw/zinc/73/46/83/420734683.db2.gz GQCQMVLPXCWEED-UHFFFAOYSA-N 1 1 308.334 1.988 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000488725258 421107416 /nfs/dbraw/zinc/10/74/16/421107416.db2.gz ALCAOBWMBAYRQG-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488725258 421107417 /nfs/dbraw/zinc/10/74/17/421107417.db2.gz ALCAOBWMBAYRQG-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000450279456 421176443 /nfs/dbraw/zinc/17/64/43/421176443.db2.gz VHGUUFITBFQCBR-GFCCVEGCSA-N 1 1 319.361 1.959 20 5 DDBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC1 ZINC000490075666 421188251 /nfs/dbraw/zinc/18/82/51/421188251.db2.gz YSMONSYUAYDLQL-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC1 ZINC000490075666 421188252 /nfs/dbraw/zinc/18/82/52/421188252.db2.gz YSMONSYUAYDLQL-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000561147299 421309230 /nfs/dbraw/zinc/30/92/30/421309230.db2.gz LSQQBNPFQVFXIR-GFCCVEGCSA-N 1 1 321.377 1.699 20 5 DDBDMO C[N@@H+]([C@@H]1CCC[C@H]1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000511586256 421433245 /nfs/dbraw/zinc/43/32/45/421433245.db2.gz QQJFICOFDACSCV-QLFBSQMISA-N 1 1 319.361 1.545 20 5 DDBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000567289864 421611299 /nfs/dbraw/zinc/61/12/99/421611299.db2.gz RRIGNTIMCUBKAU-UHFFFAOYSA-N 1 1 321.381 1.424 20 5 DDBDMO CNc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000531482990 421634600 /nfs/dbraw/zinc/63/46/00/421634600.db2.gz JXPUARZCZCYKNO-PWSUYJOCSA-N 1 1 318.377 1.992 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000555926200 421694758 /nfs/dbraw/zinc/69/47/58/421694758.db2.gz CBWNZIMLOZRKFM-UHFFFAOYSA-N 1 1 322.365 1.298 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000542778313 421828682 /nfs/dbraw/zinc/82/86/82/421828682.db2.gz KUWDZIAQYYHDGQ-UKRRQHHQSA-N 1 1 318.377 1.830 20 5 DDBDMO COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582130958 422117724 /nfs/dbraw/zinc/11/77/24/422117724.db2.gz SDBWSRGMIFILSV-LLVKDONJSA-N 1 1 307.350 1.561 20 5 DDBDMO CC[NH2+]CCCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000574799846 422183540 /nfs/dbraw/zinc/18/35/40/422183540.db2.gz LLIIWLOEVRVWOA-LBPRGKRZSA-N 1 1 308.382 1.901 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000574857981 422196163 /nfs/dbraw/zinc/19/61/63/422196163.db2.gz OSHACRCQLAQGLC-QWRGUYRKSA-N 1 1 312.345 1.410 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@H](C)O ZINC000574857981 422196168 /nfs/dbraw/zinc/19/61/68/422196168.db2.gz OSHACRCQLAQGLC-QWRGUYRKSA-N 1 1 312.345 1.410 20 5 DDBDMO C[N@H+]1CC[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000590582374 422319874 /nfs/dbraw/zinc/31/98/74/422319874.db2.gz QUYRIZTUSIZDHK-ZFWWWQNUSA-N 1 1 313.361 2.429 20 5 DDBDMO C[N@H+]1CC[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000590582372 422320948 /nfs/dbraw/zinc/32/09/48/422320948.db2.gz QUYRIZTUSIZDHK-HIFRSBDPSA-N 1 1 313.361 2.429 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000341776958 271209614 /nfs/dbraw/zinc/20/96/14/271209614.db2.gz OHZWGOQWANFPEE-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000341873669 271228699 /nfs/dbraw/zinc/22/86/99/271228699.db2.gz AGEVXFVMOIIZSO-ZDUSSCGKSA-N 1 1 304.350 1.932 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344673729 272086842 /nfs/dbraw/zinc/08/68/42/272086842.db2.gz MPZMOHGNPARIKT-JTQLQIEISA-N 1 1 309.370 1.477 20 5 DDBDMO COCC[N@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275376325 274030246 /nfs/dbraw/zinc/03/02/46/274030246.db2.gz OGKISFCVPGQIDW-LBPRGKRZSA-N 1 1 320.393 1.720 20 5 DDBDMO COCC[N@@H+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000266443985 274030782 /nfs/dbraw/zinc/03/07/82/274030782.db2.gz WNDAFMBMUUTCMA-LBPRGKRZSA-N 1 1 309.366 1.760 20 5 DDBDMO COCC[N@H+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000266443985 274030784 /nfs/dbraw/zinc/03/07/84/274030784.db2.gz WNDAFMBMUUTCMA-LBPRGKRZSA-N 1 1 309.366 1.760 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000450949262 274348945 /nfs/dbraw/zinc/34/89/45/274348945.db2.gz AMDUUSOZTPNQDQ-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CC[N@@H+]4CCOC[C@H]4C3)ccnc21 ZINC000432178213 275039620 /nfs/dbraw/zinc/03/96/20/275039620.db2.gz SSEJJHRUJLPYCK-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1cccc2c(N3CC[N@H+]4CCOC[C@H]4C3)ccnc21 ZINC000432178213 275039621 /nfs/dbraw/zinc/03/96/21/275039621.db2.gz SSEJJHRUJLPYCK-GFCCVEGCSA-N 1 1 314.345 1.664 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000290920594 279360500 /nfs/dbraw/zinc/36/05/00/279360500.db2.gz KILOQOKVQZKXNI-CYBMUJFWSA-N 1 1 322.409 1.876 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000264194751 280187800 /nfs/dbraw/zinc/18/78/00/280187800.db2.gz OIXDPCHYZZQBJT-LLVKDONJSA-N 1 1 307.354 1.327 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363052878 300204338 /nfs/dbraw/zinc/20/43/38/300204338.db2.gz BFFUIIZGLKHCMK-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363052878 300204339 /nfs/dbraw/zinc/20/43/39/300204339.db2.gz BFFUIIZGLKHCMK-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000363052878 300204340 /nfs/dbraw/zinc/20/43/40/300204340.db2.gz BFFUIIZGLKHCMK-VNQPRFMTSA-N 1 1 317.389 1.775 20 5 DDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367288880 300822968 /nfs/dbraw/zinc/82/29/68/300822968.db2.gz ZOFNJOLSUALAAQ-GFCCVEGCSA-N 1 1 313.304 1.836 20 5 DDBDMO C[C@@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810577 301091673 /nfs/dbraw/zinc/09/16/73/301091673.db2.gz OOECYWHQNRSTFQ-JSGCOSHPSA-N 1 1 324.381 1.043 20 5 DDBDMO C[C@H]1[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC12CCOCC2 ZINC000368810579 301091826 /nfs/dbraw/zinc/09/18/26/301091826.db2.gz OOECYWHQNRSTFQ-OCCSQVGLSA-N 1 1 324.381 1.043 20 5 DDBDMO C[NH+]1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000369028597 301122202 /nfs/dbraw/zinc/12/22/02/301122202.db2.gz XHQWPJFHGWCGLR-CQSZACIVSA-N 1 1 319.409 1.454 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2Cn2cccn2)n1 ZINC000370027047 301261428 /nfs/dbraw/zinc/26/14/28/301261428.db2.gz NMCWFPGRRKLTIT-ZDUSSCGKSA-N 1 1 304.354 1.543 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469400 301345864 /nfs/dbraw/zinc/34/58/64/301345864.db2.gz CUEOTLHVBXFTEC-BEAPCOKYSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469400 301345866 /nfs/dbraw/zinc/34/58/66/301345866.db2.gz CUEOTLHVBXFTEC-BEAPCOKYSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469400 301345868 /nfs/dbraw/zinc/34/58/68/301345868.db2.gz CUEOTLHVBXFTEC-BEAPCOKYSA-N 1 1 303.362 1.431 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CCCCCC[C@H]32)c1 ZINC000375852255 302004653 /nfs/dbraw/zinc/00/46/53/302004653.db2.gz WLCXRYGDGQNBPW-NWANDNLSSA-N 1 1 308.382 1.807 20 5 DDBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000377647965 302203167 /nfs/dbraw/zinc/20/31/67/302203167.db2.gz WDRJPONZGXIKBW-CQSZACIVSA-N 1 1 307.350 1.320 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000530905033 303220170 /nfs/dbraw/zinc/22/01/70/303220170.db2.gz KWOWICGQEKQCFN-JTQLQIEISA-N 1 1 322.287 1.835 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](OCC(F)(F)F)C2)n1 ZINC000530905033 303220171 /nfs/dbraw/zinc/22/01/71/303220171.db2.gz KWOWICGQEKQCFN-JTQLQIEISA-N 1 1 322.287 1.835 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534349513 303332792 /nfs/dbraw/zinc/33/27/92/303332792.db2.gz SMQHUBFECGTETN-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000534349513 303332794 /nfs/dbraw/zinc/33/27/94/303332794.db2.gz SMQHUBFECGTETN-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO Nc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000375962591 307236261 /nfs/dbraw/zinc/23/62/61/307236261.db2.gz GZHJKXVGZKHWCV-UHFFFAOYSA-N 1 1 315.333 1.640 20 5 DDBDMO COCCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000378140212 307282843 /nfs/dbraw/zinc/28/28/43/307282843.db2.gz SPVCFUPJMVQCLD-UHFFFAOYSA-N 1 1 308.382 1.847 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000408028070 307298417 /nfs/dbraw/zinc/29/84/17/307298417.db2.gz CJENSKMOUNEANE-VHSXEESVSA-N 1 1 323.378 1.213 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)n1 ZINC000427252854 307302945 /nfs/dbraw/zinc/30/29/45/307302945.db2.gz ZBACYSYQQBXXMY-NEPJUHHUSA-N 1 1 323.397 1.804 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488733443 484217793 /nfs/dbraw/zinc/21/77/93/484217793.db2.gz JJHVGGFPYLKBLG-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000488733443 484217797 /nfs/dbraw/zinc/21/77/97/484217797.db2.gz JJHVGGFPYLKBLG-MNOVXSKESA-N 1 1 323.349 1.245 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390944 501075784 /nfs/dbraw/zinc/07/57/84/501075784.db2.gz LVOQJUZFWLPTKQ-UHFFFAOYSA-N 1 1 319.296 1.419 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598453198 501075989 /nfs/dbraw/zinc/07/59/89/501075989.db2.gz PZCFVWQXZXBOJP-HNNXBMFYSA-N 1 1 319.361 1.266 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C ZINC000330790358 533895997 /nfs/dbraw/zinc/89/59/97/533895997.db2.gz AOGWGFBYFQORTF-NXEZZACHSA-N 1 1 307.354 1.127 20 5 DDBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000428988700 534033960 /nfs/dbraw/zinc/03/39/60/534033960.db2.gz ARZCVJZOSYXDDJ-UMVBOHGHSA-N 1 1 307.398 1.453 20 5 DDBDMO Cc1nc(NCCN2CC[N@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000296691722 534489999 /nfs/dbraw/zinc/48/99/99/534489999.db2.gz CYCNWUSMDNJKKH-UHFFFAOYSA-N 1 1 308.386 1.131 20 5 DDBDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452345522 534608294 /nfs/dbraw/zinc/60/82/94/534608294.db2.gz FFOFPWADSJTUSW-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO CC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000412836461 527793259 /nfs/dbraw/zinc/79/32/59/527793259.db2.gz ISOHBVHTMUDFFQ-LLVKDONJSA-N 1 1 323.349 1.436 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820715714 599083897 /nfs/dbraw/zinc/08/38/97/599083897.db2.gz DNGHYCJVMXTLAG-JTQLQIEISA-N 1 1 317.353 1.671 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736324695 598420490 /nfs/dbraw/zinc/42/04/90/598420490.db2.gz HPRQLMWGUMSUQN-JTQLQIEISA-N 1 1 319.369 1.917 20 5 DDBDMO CNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000797518950 700012956 /nfs/dbraw/zinc/01/29/56/700012956.db2.gz PAGLREXIJQKFNG-UHFFFAOYSA-N 1 1 307.350 1.752 20 5 DDBDMO C[N@H+](C[C@@H]1CCCOC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000107672340 696631618 /nfs/dbraw/zinc/63/16/18/696631618.db2.gz DBIMZUJLVLFSJQ-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO C[N@@H+](C[C@@H]1CCCOC1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000107672340 696631620 /nfs/dbraw/zinc/63/16/20/696631620.db2.gz DBIMZUJLVLFSJQ-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO CC(=O)OC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000156884383 696969679 /nfs/dbraw/zinc/96/96/79/696969679.db2.gz SPIOVFVKJSAURL-UHFFFAOYSA-N 1 1 318.333 1.930 20 5 DDBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000775777998 698031248 /nfs/dbraw/zinc/03/12/48/698031248.db2.gz STIZPTWHCBAIMG-AWEZNQCLSA-N 1 1 316.317 1.182 20 5 DDBDMO CCOC[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959911 700195493 /nfs/dbraw/zinc/19/54/93/700195493.db2.gz SEKHETXHGGGZQL-LBPRGKRZSA-N 1 1 319.365 1.964 20 5 DDBDMO CCCNC(=O)C[N@H+](CCC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579868 698120586 /nfs/dbraw/zinc/12/05/86/698120586.db2.gz PAFXLQSBDZICOM-HNNXBMFYSA-N 1 1 323.393 1.866 20 5 DDBDMO CCCNC(=O)C[N@@H+](CCC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579868 698120591 /nfs/dbraw/zinc/12/05/91/698120591.db2.gz PAFXLQSBDZICOM-HNNXBMFYSA-N 1 1 323.393 1.866 20 5 DDBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000776604704 698125745 /nfs/dbraw/zinc/12/57/45/698125745.db2.gz FDFSJJPFMMKITK-MNOVXSKESA-N 1 1 308.256 1.483 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC000776604704 698125747 /nfs/dbraw/zinc/12/57/47/698125747.db2.gz FDFSJJPFMMKITK-MNOVXSKESA-N 1 1 308.256 1.483 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000776879239 698145195 /nfs/dbraw/zinc/14/51/95/698145195.db2.gz SKVWYKBZUYXXPZ-KBPBESRZSA-N 1 1 303.322 1.167 20 5 DDBDMO CNc1ccc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000750874257 700252280 /nfs/dbraw/zinc/25/22/80/700252280.db2.gz DTLKTSMYFZXNQJ-UHFFFAOYSA-N 1 1 323.349 1.516 20 5 DDBDMO O=C1CC2(CCC2)N1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000782860262 698774005 /nfs/dbraw/zinc/77/40/05/698774005.db2.gz OKRZGKIPIORLCZ-UHFFFAOYSA-N 1 1 319.365 1.541 20 5 DDBDMO C[C@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782859647 698774013 /nfs/dbraw/zinc/77/40/13/698774013.db2.gz IQPDYVQCHGUEGB-NSHDSACASA-N 1 1 307.354 1.254 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000787328291 699206049 /nfs/dbraw/zinc/20/60/49/699206049.db2.gz QKQBRDZKFRECBF-HONMWMINSA-N 1 1 308.334 1.512 20 5 DDBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000742195524 699865085 /nfs/dbraw/zinc/86/50/85/699865085.db2.gz PQWAYABJTPZLTN-LLVKDONJSA-N 1 1 309.391 1.849 20 5 DDBDMO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000742195524 699865088 /nfs/dbraw/zinc/86/50/88/699865088.db2.gz PQWAYABJTPZLTN-LLVKDONJSA-N 1 1 309.391 1.849 20 5 DDBDMO O=C(CC[N@@H+]1CCOCC12CC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000801981893 700362268 /nfs/dbraw/zinc/36/22/68/700362268.db2.gz VXWNPUGSWCWWBH-UHFFFAOYSA-N 1 1 323.324 1.927 20 5 DDBDMO O=C(CC[N@H+]1CCOCC12CC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000801981893 700362271 /nfs/dbraw/zinc/36/22/71/700362271.db2.gz VXWNPUGSWCWWBH-UHFFFAOYSA-N 1 1 323.324 1.927 20 5 DDBDMO Cc1[nH+]ccn1-c1ncccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000760581358 700815060 /nfs/dbraw/zinc/81/50/60/700815060.db2.gz YOQOZXAFKWUFLO-UHFFFAOYSA-N 1 1 311.305 1.886 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)C3CC3)o2)cc1 ZINC000763065892 700923620 /nfs/dbraw/zinc/92/36/20/700923620.db2.gz HJZULXFKCIFUNJ-GFCCVEGCSA-N 1 1 304.306 1.505 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000771407591 701318800 /nfs/dbraw/zinc/31/88/00/701318800.db2.gz RRVCBVIPLPVKEN-RYUDHWBXSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000771407591 701318801 /nfs/dbraw/zinc/31/88/01/701318801.db2.gz RRVCBVIPLPVKEN-RYUDHWBXSA-N 1 1 320.393 1.825 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000841066295 702333136 /nfs/dbraw/zinc/33/31/36/702333136.db2.gz ZYVJESPAMCDDBT-UMVBOHGHSA-N 1 1 301.346 1.663 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)C1 ZINC000813635638 702388086 /nfs/dbraw/zinc/38/80/86/702388086.db2.gz AHDHBKLIAMWTCE-OAHLLOKOSA-N 1 1 301.350 1.775 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000842831984 702781331 /nfs/dbraw/zinc/78/13/31/702781331.db2.gz RBAKTGUMUXOBEL-ZDUSSCGKSA-N 1 1 324.381 1.845 20 5 DDBDMO CCCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000843987272 702949294 /nfs/dbraw/zinc/94/92/94/702949294.db2.gz DLDPBLSKNZATNL-GJZGRUSLSA-N 1 1 321.377 1.571 20 5 DDBDMO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879534251 706711140 /nfs/dbraw/zinc/71/11/40/706711140.db2.gz NVOBMLXQQLQDNZ-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879534251 706711141 /nfs/dbraw/zinc/71/11/41/706711141.db2.gz NVOBMLXQQLQDNZ-PHIMTYICSA-N 1 1 323.736 1.295 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000869786230 703853536 /nfs/dbraw/zinc/85/35/36/703853536.db2.gz XXYVNVJCTHRLEQ-LBPRGKRZSA-N 1 1 307.350 1.170 20 5 DDBDMO CO[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870880781 704155962 /nfs/dbraw/zinc/15/59/62/704155962.db2.gz ONDRRDOGHYQEBH-ZFWWWQNUSA-N 1 1 307.350 1.406 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853485661 704247497 /nfs/dbraw/zinc/24/74/97/704247497.db2.gz NACBTAGHYXXBGC-GFCCVEGCSA-N 1 1 309.366 1.415 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853485661 704247500 /nfs/dbraw/zinc/24/75/00/704247500.db2.gz NACBTAGHYXXBGC-GFCCVEGCSA-N 1 1 309.366 1.415 20 5 DDBDMO COc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])cc1C ZINC000853537993 704262990 /nfs/dbraw/zinc/26/29/90/704262990.db2.gz LNKSEPZIVHVEEL-UHFFFAOYSA-N 1 1 317.349 1.962 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799557 704317025 /nfs/dbraw/zinc/31/70/25/704317025.db2.gz MGYRYBZROIGGRQ-RYUDHWBXSA-N 1 1 319.365 1.764 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853799557 704317027 /nfs/dbraw/zinc/31/70/27/704317027.db2.gz MGYRYBZROIGGRQ-RYUDHWBXSA-N 1 1 319.365 1.764 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854496264 704407901 /nfs/dbraw/zinc/40/79/01/704407901.db2.gz CQBKREVRPGCUAO-UHFFFAOYSA-N 1 1 321.381 1.143 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855164306 704471937 /nfs/dbraw/zinc/47/19/37/704471937.db2.gz HZWMLGKGQDZONT-LLVKDONJSA-N 1 1 306.366 1.780 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000824221683 705402506 /nfs/dbraw/zinc/40/25/06/705402506.db2.gz KTTOAVHLDWOZSH-PHIMTYICSA-N 1 1 309.370 1.041 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000824893155 705553178 /nfs/dbraw/zinc/55/31/78/705553178.db2.gz MCNAQRPXTBOSCX-RISCZKNCSA-N 1 1 306.322 1.639 20 5 DDBDMO O=[N+]([O-])c1cccc(-n2cc(CCC[NH+]3CCOCC3)nn2)c1 ZINC000864621174 706215815 /nfs/dbraw/zinc/21/58/15/706215815.db2.gz FBPASETYDKCWHL-UHFFFAOYSA-N 1 1 317.349 1.440 20 5 DDBDMO Cn1nnnc1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878206795 706327000 /nfs/dbraw/zinc/32/70/00/706327000.db2.gz BGAKAMWITFKDEY-UHFFFAOYSA-N 1 1 310.745 1.446 20 5 DDBDMO Cn1nnnc1CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878206795 706327001 /nfs/dbraw/zinc/32/70/01/706327001.db2.gz BGAKAMWITFKDEY-UHFFFAOYSA-N 1 1 310.745 1.446 20 5 DDBDMO O=C1OC[C@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CCN12 ZINC000865617153 706478817 /nfs/dbraw/zinc/47/88/17/706478817.db2.gz VSXNLICHYUPWAC-LLVKDONJSA-N 1 1 314.301 1.784 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510074 706528013 /nfs/dbraw/zinc/52/80/13/706528013.db2.gz QSOZCALVQHWYFH-ZIAGYGMSSA-N 1 1 323.349 1.401 20 5 DDBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830510074 706528015 /nfs/dbraw/zinc/52/80/15/706528015.db2.gz QSOZCALVQHWYFH-ZIAGYGMSSA-N 1 1 323.349 1.401 20 5 DDBDMO NC(=O)[C@H](F)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879048665 706573384 /nfs/dbraw/zinc/57/33/84/706573384.db2.gz XUMVHTYKMWFMFI-CYBMUJFWSA-N 1 1 313.304 1.769 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146191 706891924 /nfs/dbraw/zinc/89/19/24/706891924.db2.gz SFJFMPQBJHBXKV-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880146191 706891928 /nfs/dbraw/zinc/89/19/28/706891928.db2.gz SFJFMPQBJHBXKV-LBPRGKRZSA-N 1 1 321.377 1.935 20 5 DDBDMO CCO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN(C)C ZINC000926964185 712923360 /nfs/dbraw/zinc/92/33/60/712923360.db2.gz WKIYALGJDGAGJN-DGCLKSJQSA-N 1 1 310.398 1.794 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881985568 707454882 /nfs/dbraw/zinc/45/48/82/707454882.db2.gz OZXNVHIPYVQHJD-UHFFFAOYSA-N 1 1 312.345 1.412 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000873044067 707706092 /nfs/dbraw/zinc/70/60/92/707706092.db2.gz ASJQGEZKZQDMJT-AWEZNQCLSA-N 1 1 320.437 1.937 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000883468557 708009918 /nfs/dbraw/zinc/00/99/18/708009918.db2.gz WHFFAAJYPHVNAU-CYBMUJFWSA-N 1 1 306.366 1.531 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000884825304 708388435 /nfs/dbraw/zinc/38/84/35/708388435.db2.gz PESXUNDSOUYFRZ-UHFFFAOYSA-N 1 1 305.281 1.532 20 5 DDBDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956115 708670986 /nfs/dbraw/zinc/67/09/86/708670986.db2.gz JDUDKTOKEVNENP-AWEZNQCLSA-N 1 1 318.377 1.728 20 5 DDBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956115 708670988 /nfs/dbraw/zinc/67/09/88/708670988.db2.gz JDUDKTOKEVNENP-AWEZNQCLSA-N 1 1 318.377 1.728 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCn2nncc2C1 ZINC000886457536 708763455 /nfs/dbraw/zinc/76/34/55/708763455.db2.gz DNBBQAOXBRRNGC-UHFFFAOYSA-N 1 1 317.349 1.991 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCn2nncc2C1 ZINC000886457536 708763457 /nfs/dbraw/zinc/76/34/57/708763457.db2.gz DNBBQAOXBRRNGC-UHFFFAOYSA-N 1 1 317.349 1.991 20 5 DDBDMO COC(=O)N[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000886863839 708870310 /nfs/dbraw/zinc/87/03/10/708870310.db2.gz VLYVERXSWWUILU-NSHDSACASA-N 1 1 309.322 1.404 20 5 DDBDMO C[N@@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000899728737 709178727 /nfs/dbraw/zinc/17/87/27/709178727.db2.gz VXPAUDBZGBKYEF-UHFFFAOYSA-N 1 1 323.374 1.463 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090929 713126289 /nfs/dbraw/zinc/12/62/89/713126289.db2.gz BJPIUVKPLGRILA-KOLCDFICSA-N 1 1 310.379 1.233 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000928090929 713126290 /nfs/dbraw/zinc/12/62/90/713126290.db2.gz BJPIUVKPLGRILA-KOLCDFICSA-N 1 1 310.379 1.233 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000892098580 710372071 /nfs/dbraw/zinc/37/20/71/710372071.db2.gz IFNGTWKAULKRJT-UHFFFAOYSA-N 1 1 317.349 1.904 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417921 710434017 /nfs/dbraw/zinc/43/40/17/710434017.db2.gz KGYDYGUNERFCSF-GJZGRUSLSA-N 1 1 318.377 1.973 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928430891 713192291 /nfs/dbraw/zinc/19/22/91/713192291.db2.gz JUQJTQLZXFDYKF-AQNFWKISSA-N 1 1 303.362 1.907 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318419 711095948 /nfs/dbraw/zinc/09/59/48/711095948.db2.gz PMQIJENKOFUFDS-GJZGRUSLSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318419 711095953 /nfs/dbraw/zinc/09/59/53/711095953.db2.gz PMQIJENKOFUFDS-GJZGRUSLSA-N 1 1 315.377 1.711 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C(C)(C)C ZINC000912034946 711136422 /nfs/dbraw/zinc/13/64/22/711136422.db2.gz XBBUNZDAYKYBFT-AWEZNQCLSA-N 1 1 320.393 1.979 20 5 DDBDMO C[NH+]1CCC(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000894802020 711276230 /nfs/dbraw/zinc/27/62/30/711276230.db2.gz LSQGQCWGQLCFOZ-UHFFFAOYSA-N 1 1 319.409 1.454 20 5 DDBDMO CN1C[C@@H](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000895478109 711522138 /nfs/dbraw/zinc/52/21/38/711522138.db2.gz HZRQNZHITRKAFA-NSHDSACASA-N 1 1 314.345 1.845 20 5 DDBDMO C[C@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895737550 711590886 /nfs/dbraw/zinc/59/08/86/711590886.db2.gz BJCXSFDWTZCKML-CMPLNLGQSA-N 1 1 316.361 1.951 20 5 DDBDMO Cc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896581026 711758186 /nfs/dbraw/zinc/75/81/86/711758186.db2.gz FUJHYOMQCJFABI-OCCSQVGLSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1c(NC(=O)C2CN(C)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000905083904 711930643 /nfs/dbraw/zinc/93/06/43/711930643.db2.gz IERYSRDHHKWWHL-UHFFFAOYSA-N 1 1 306.366 1.335 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000905984563 712209674 /nfs/dbraw/zinc/20/96/74/712209674.db2.gz NCNNTYGLVNKZES-GMTAPVOTSA-N 1 1 309.370 1.039 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000913930631 713321485 /nfs/dbraw/zinc/32/14/85/713321485.db2.gz KEDWXUQPKIHLSM-BXUZGUMPSA-N 1 1 321.381 1.399 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000913933987 713321967 /nfs/dbraw/zinc/32/19/67/713321967.db2.gz YCFXHZKTPVRYJD-LLVKDONJSA-N 1 1 307.354 1.010 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908123562 712693434 /nfs/dbraw/zinc/69/34/34/712693434.db2.gz CUROJBWGSDJAMX-CJNGLKHVSA-N 1 1 321.377 1.051 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCO[C@@H]3CCOC3)CC2)c1 ZINC000929271409 713580275 /nfs/dbraw/zinc/58/02/75/713580275.db2.gz XPSZIBGTVIWWMO-MRXNPFEDSA-N 1 1 321.377 1.522 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000930785081 713920345 /nfs/dbraw/zinc/92/03/45/713920345.db2.gz OHDXAVGORMMGNE-UHFFFAOYSA-N 1 1 323.397 1.480 20 5 DDBDMO O=[N+]([O-])CCN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000930849527 713937082 /nfs/dbraw/zinc/93/70/82/713937082.db2.gz NISJLVXVZGMSAN-HOTGVXAUSA-N 1 1 305.378 1.238 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000931118450 714006221 /nfs/dbraw/zinc/00/62/21/714006221.db2.gz TVANXVPILZAVAO-CYBMUJFWSA-N 1 1 323.397 1.336 20 5 DDBDMO O=[N+]([O-])c1ncccc1CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283928 714057538 /nfs/dbraw/zinc/05/75/38/714057538.db2.gz HVOBSXMXQXQCEL-UHFFFAOYSA-N 1 1 320.393 1.677 20 5 DDBDMO CCO[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000932972989 714446679 /nfs/dbraw/zinc/44/66/79/714446679.db2.gz VSZWBNBHMVBEGI-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO CCO[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000932972989 714446682 /nfs/dbraw/zinc/44/66/82/714446682.db2.gz VSZWBNBHMVBEGI-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934255066 714776205 /nfs/dbraw/zinc/77/62/05/714776205.db2.gz OJJICVSFFDOSSH-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934255066 714776207 /nfs/dbraw/zinc/77/62/07/714776207.db2.gz OJJICVSFFDOSSH-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934255066 714776209 /nfs/dbraw/zinc/77/62/09/714776209.db2.gz OJJICVSFFDOSSH-HZPDHXFCSA-N 1 1 305.378 1.626 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000352355911 719413112 /nfs/dbraw/zinc/41/31/12/719413112.db2.gz JIQZEOKLQLWFFL-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO N=c1cc(C[NH3+])ncn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001167358612 733288513 /nfs/dbraw/zinc/28/85/13/733288513.db2.gz WPQJXMOQAKHAOB-UHFFFAOYSA-N 1 1 313.239 1.737 20 5 DDBDMO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001105423138 741452949 /nfs/dbraw/zinc/45/29/49/741452949.db2.gz FRIFXMFDJUEKRN-ANQUJSFKSA-N 1 1 317.389 1.478 20 5 DDBDMO O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788944 743431706 /nfs/dbraw/zinc/43/17/06/743431706.db2.gz QKEDARKJHJOUBG-NXEZZACHSA-N 1 1 309.288 1.185 20 5 DDBDMO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[N@@H+](C)C(C)C ZINC001106778559 746063659 /nfs/dbraw/zinc/06/36/59/746063659.db2.gz CJXKLKXJCNWVCO-UHFFFAOYSA-N 1 1 323.397 1.590 20 5 DDBDMO CCn1nnc(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001194029250 746258162 /nfs/dbraw/zinc/25/81/62/746258162.db2.gz CVQCLVLRHOYUPU-UHFFFAOYSA-N 1 1 319.369 1.548 20 5 DDBDMO COCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194622379 746427830 /nfs/dbraw/zinc/42/78/30/746427830.db2.gz ZTIWMYZEZOEZLP-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO COCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194622379 746427834 /nfs/dbraw/zinc/42/78/34/746427834.db2.gz ZTIWMYZEZOEZLP-UHFFFAOYSA-N 1 1 321.377 1.666 20 5 DDBDMO Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644986 750627099 /nfs/dbraw/zinc/62/70/99/750627099.db2.gz OWDGACUQXAVESP-AAVRWANBSA-N 1 1 322.365 1.165 20 5 DDBDMO CCOC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168977384 762147622 /nfs/dbraw/zinc/14/76/22/762147622.db2.gz BDBHWWROLXYGIF-KWCYVHTRSA-N 1 1 314.382 1.380 20 5 DDBDMO Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086082503 760941878 /nfs/dbraw/zinc/94/18/78/760941878.db2.gz RNUWYYRISSVKLE-LYIQGSDWSA-N 1 1 324.406 1.101 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347079 766277973 /nfs/dbraw/zinc/27/79/73/766277973.db2.gz QAHMXNMPQXBTEB-SMDDNHRTSA-N 1 1 321.377 1.874 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170347079 766277976 /nfs/dbraw/zinc/27/79/76/766277976.db2.gz QAHMXNMPQXBTEB-SMDDNHRTSA-N 1 1 321.377 1.874 20 5 DDBDMO COc1ccc(C[C@H](C)[N@@H+]2CCn3nncc3C2)c([N+](=O)[O-])c1 ZINC001170350686 766279956 /nfs/dbraw/zinc/27/99/56/766279956.db2.gz CCLYZZUYHRZTDI-NSHDSACASA-N 1 1 317.349 1.642 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCn3nncc3C2)c([N+](=O)[O-])c1 ZINC001170350686 766279960 /nfs/dbraw/zinc/27/99/60/766279960.db2.gz CCLYZZUYHRZTDI-NSHDSACASA-N 1 1 317.349 1.642 20 5 DDBDMO CCOC(=O)C1=C(Nc2nc(C)ccc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170518018 767757949 /nfs/dbraw/zinc/75/79/49/767757949.db2.gz XIRUPQRRXQNLCH-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO N[C@H](CCC[NH3+])Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001170900550 771898985 /nfs/dbraw/zinc/89/89/85/771898985.db2.gz VWLAULQULYPFBP-ZDUSSCGKSA-N 1 1 318.337 1.613 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001094456656 775894788 /nfs/dbraw/zinc/89/47/88/775894788.db2.gz LJKWYKSWASNREH-UHFFFAOYSA-N 1 1 323.397 1.557 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001094574237 776049284 /nfs/dbraw/zinc/04/92/84/776049284.db2.gz SBODASJWLKPAOU-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO CCN(CCNC(=O)C[N@@H+](C)C(C)C)c1ccc([N+](=O)[O-])cn1 ZINC001100546945 776293075 /nfs/dbraw/zinc/29/30/75/776293075.db2.gz ZZYVZCYLEQEUCL-UHFFFAOYSA-N 1 1 323.397 1.273 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907597 776918058 /nfs/dbraw/zinc/91/80/58/776918058.db2.gz GYVBLTOAYUESMD-HIFRSBDPSA-N 1 1 303.362 1.792 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nncn2CC1 ZINC001173219951 777052568 /nfs/dbraw/zinc/05/25/68/777052568.db2.gz ADLGVROIAJEPEF-GFCCVEGCSA-N 1 1 301.350 1.676 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001173224859 777059492 /nfs/dbraw/zinc/05/94/92/777059492.db2.gz HLLUUNVAUXLRFI-RHSMWYFYSA-N 1 1 319.405 1.932 20 5 DDBDMO CC[N@@H+](C)CCC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101757025 777479556 /nfs/dbraw/zinc/47/95/56/777479556.db2.gz WICGULUQGKZIFB-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO O=C(CN1CCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176102741 778047220 /nfs/dbraw/zinc/04/72/20/778047220.db2.gz KFMUKXASZLAYJJ-UHFFFAOYSA-N 1 1 320.393 1.287 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178857451 779213257 /nfs/dbraw/zinc/21/32/57/779213257.db2.gz VLERTWXNAUWGJQ-CQSZACIVSA-N 1 1 321.377 1.820 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001119948624 781693553 /nfs/dbraw/zinc/69/35/53/781693553.db2.gz QELVHAFMNDOANR-AAEUAGOBSA-N 1 1 305.382 1.781 20 5 DDBDMO C[C@H](c1nnc(N2CC[N@@H+](C)C(C)(C)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123415781 859225671 /nfs/dbraw/zinc/22/56/71/859225671.db2.gz UTWPJLCXBMSDOV-LLVKDONJSA-N 1 1 322.413 1.556 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001124109342 859583713 /nfs/dbraw/zinc/58/37/13/859583713.db2.gz MLWUUPLRAARESF-RWMBFGLXSA-N 1 1 318.377 1.707 20 5 DDBDMO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767689 864118057 /nfs/dbraw/zinc/11/80/57/864118057.db2.gz RNWDKXCCDVXZAZ-ZIAGYGMSSA-N 1 1 309.341 1.395 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001158784420 864906844 /nfs/dbraw/zinc/90/68/44/864906844.db2.gz FSPZDJAEJDTNSX-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001158784420 864906850 /nfs/dbraw/zinc/90/68/50/864906850.db2.gz FSPZDJAEJDTNSX-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001158784420 864906855 /nfs/dbraw/zinc/90/68/55/864906855.db2.gz FSPZDJAEJDTNSX-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO COc1nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160722694 866068452 /nfs/dbraw/zinc/06/84/52/866068452.db2.gz IDZJJQQQALMZNO-NEPJUHHUSA-N 1 1 322.365 1.664 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001323521909 866662632 /nfs/dbraw/zinc/66/26/32/866662632.db2.gz SCBUPAHBZUBCBP-UHFFFAOYSA-N 1 1 309.370 1.193 20 5 DDBDMO O=[N+]([O-])c1cnccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC001333776064 867003861 /nfs/dbraw/zinc/00/38/61/867003861.db2.gz CCWIKNPCXXQBDL-UHFFFAOYSA-N 1 1 313.361 1.750 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCC([N@@H+](C)CCCO)CC1 ZINC001321825292 867818395 /nfs/dbraw/zinc/81/83/95/867818395.db2.gz JBKVHIOEZBFCDT-UHFFFAOYSA-N 1 1 308.382 1.581 20 5 DDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@@H]1CC[NH2+]CC1(F)F ZINC001162812730 867846439 /nfs/dbraw/zinc/84/64/39/867846439.db2.gz NXIXDFKIFICMCK-JTQLQIEISA-N 1 1 316.308 1.583 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335565334 868386834 /nfs/dbraw/zinc/38/68/34/868386834.db2.gz HYCRISVRUHFJHN-ZIAGYGMSSA-N 1 1 306.366 1.334 20 5 DDBDMO CC(C)[N@H+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@H]1C ZINC001165200464 869423935 /nfs/dbraw/zinc/42/39/35/869423935.db2.gz ZNVHDCJYRWKCSF-SNVBAGLBSA-N 1 1 314.773 1.801 20 5 DDBDMO CCOc1nc(N2CCn3c(C)[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC001165384179 869556852 /nfs/dbraw/zinc/55/68/52/869556852.db2.gz DFNNZNQOJMXIFZ-UHFFFAOYSA-N 1 1 303.322 1.914 20 5 DDBDMO Nc1cc(N2CCC([N@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001337911289 869685083 /nfs/dbraw/zinc/68/50/83/869685083.db2.gz XEQRGNKXYHLFMU-UHFFFAOYSA-N 1 1 321.381 1.263 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC001338464796 869992226 /nfs/dbraw/zinc/99/22/26/869992226.db2.gz QRRKFOLAYBPVNA-YUTCNCBUSA-N 1 1 321.352 1.733 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC001338463880 869993038 /nfs/dbraw/zinc/99/30/38/869993038.db2.gz NPNWPZZTTRJZBA-JBLDHEPKSA-N 1 1 307.325 1.804 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001205224673 871443669 /nfs/dbraw/zinc/44/36/69/871443669.db2.gz WHZBPBMTUDMIPF-GHMZBOCLSA-N 1 1 323.315 1.432 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CCc2occc21 ZINC001341451900 871663115 /nfs/dbraw/zinc/66/31/15/871663115.db2.gz UINGDVPGUUVPSI-AWEZNQCLSA-N 1 1 301.302 1.691 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318836460 872294724 /nfs/dbraw/zinc/29/47/24/872294724.db2.gz DTIXZLZBFXRRGN-UHFFFAOYSA-N 1 1 322.365 1.198 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC001347181893 874044414 /nfs/dbraw/zinc/04/44/14/874044414.db2.gz PYCSMZQRQUPWOS-LLVKDONJSA-N 1 1 308.382 1.813 20 5 DDBDMO Cc1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC001347890094 874301250 /nfs/dbraw/zinc/30/12/50/874301250.db2.gz MLFLKONYKXOYGE-CQSZACIVSA-N 1 1 320.349 1.186 20 5 DDBDMO Cc1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC001347890094 874301263 /nfs/dbraw/zinc/30/12/63/874301263.db2.gz MLFLKONYKXOYGE-CQSZACIVSA-N 1 1 320.349 1.186 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000175249126 875871769 /nfs/dbraw/zinc/87/17/69/875871769.db2.gz IVONJECVJHBZHT-CYBMUJFWSA-N 1 1 321.377 1.951 20 5 DDBDMO Cc1nc(Cl)nc(O[C@H]2CCc3[nH+]ccn3C2)c1[N+](=O)[O-] ZINC001227339726 882974249 /nfs/dbraw/zinc/97/42/49/882974249.db2.gz JZTZNINDTISKMR-QMMMGPOBSA-N 1 1 309.713 1.937 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC001353381047 877291347 /nfs/dbraw/zinc/29/13/47/877291347.db2.gz VCZPPKUIGIVHSD-SGMGOOAPSA-N 1 1 321.352 1.733 20 5 DDBDMO CC(C)C(=O)NCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001222387352 880433052 /nfs/dbraw/zinc/43/30/52/880433052.db2.gz VZUCWUDQMLFFNY-UHFFFAOYSA-N 1 1 323.397 1.313 20 5 DDBDMO COC(=O)c1ccc(COC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001223412446 880952029 /nfs/dbraw/zinc/95/20/29/880952029.db2.gz CWEXLSLMROWEIC-UHFFFAOYSA-N 1 1 308.334 1.991 20 5 DDBDMO OC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001232219394 886166248 /nfs/dbraw/zinc/16/62/48/886166248.db2.gz TZIRRFBKKKXJGR-GOEBONIOSA-N 1 1 309.369 1.568 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@](O)(CF)[C@@H](F)C1)C2 ZINC001254595706 896520728 /nfs/dbraw/zinc/52/07/28/896520728.db2.gz YNCRIFUJDKGFDZ-ILXRZTDVSA-N 1 1 312.316 1.806 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@](O)(CF)[C@@H](F)C1)C2 ZINC001254595706 896520741 /nfs/dbraw/zinc/52/07/41/896520741.db2.gz YNCRIFUJDKGFDZ-ILXRZTDVSA-N 1 1 312.316 1.806 20 5 DDBDMO O=C1NCC[C@]12CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594361 896522472 /nfs/dbraw/zinc/52/24/72/896522472.db2.gz QIINQQHGKCDKHJ-GDBMZVCRSA-N 1 1 301.346 1.274 20 5 DDBDMO C[NH+](C)CCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600823 896524182 /nfs/dbraw/zinc/52/41/82/896524182.db2.gz VKGFQKRLYPDEFL-QGZVFWFLSA-N 1 1 318.421 1.241 20 5 DDBDMO O=[N+]([O-])c1cc2c(nc1N1CC([NH2+]C3COC3)C1)CCCC2 ZINC001307219481 916612373 /nfs/dbraw/zinc/61/23/73/916612373.db2.gz NWJPQLKPZUTBRN-UHFFFAOYSA-N 1 1 304.350 1.046 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278361389 214116350 /nfs/dbraw/zinc/11/63/50/214116350.db2.gz AWAZFSUSKFNMHZ-AWEZNQCLSA-N 1 1 319.361 1.846 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451925289 231236650 /nfs/dbraw/zinc/23/66/50/231236650.db2.gz GCWKSPBCOGYDRP-OAHLLOKOSA-N 1 1 310.350 1.434 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295617876 529784637 /nfs/dbraw/zinc/78/46/37/529784637.db2.gz WBGMAYDCMJKPMM-ZDUSSCGKSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295617876 529784639 /nfs/dbraw/zinc/78/46/39/529784639.db2.gz WBGMAYDCMJKPMM-ZDUSSCGKSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@@H+](CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000457204878 529883017 /nfs/dbraw/zinc/88/30/17/529883017.db2.gz PWBHKILJHNNUDS-UHFFFAOYSA-N 1 1 323.397 1.517 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000272209565 282317322 /nfs/dbraw/zinc/31/73/22/282317322.db2.gz PXRNYWMHVZGYGQ-NXEZZACHSA-N 1 1 307.379 1.834 20 5 DDBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299605311 530062180 /nfs/dbraw/zinc/06/21/80/530062180.db2.gz YCZGWUDRDWCSAS-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330860126 232120266 /nfs/dbraw/zinc/12/02/66/232120266.db2.gz VWMOXXFDSLBUBO-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330860126 232120269 /nfs/dbraw/zinc/12/02/69/232120269.db2.gz VWMOXXFDSLBUBO-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330860126 232120271 /nfs/dbraw/zinc/12/02/71/232120271.db2.gz VWMOXXFDSLBUBO-MCIONIFRSA-N 1 1 323.393 1.359 20 5 DDBDMO Cc1c(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358444990 299153601 /nfs/dbraw/zinc/15/36/01/299153601.db2.gz WSFLGYIXUXMIBL-CQSZACIVSA-N 1 1 308.338 1.091 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592478 233345644 /nfs/dbraw/zinc/34/56/44/233345644.db2.gz UOZXUZOCPZUJGE-OAHLLOKOSA-N 1 1 324.381 1.882 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592478 233345651 /nfs/dbraw/zinc/34/56/51/233345651.db2.gz UOZXUZOCPZUJGE-OAHLLOKOSA-N 1 1 324.381 1.882 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851815 186193641 /nfs/dbraw/zinc/19/36/41/186193641.db2.gz DOSKMLLLVZWTPP-FZMZJTMJSA-N 1 1 307.350 1.411 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851815 186193642 /nfs/dbraw/zinc/19/36/42/186193642.db2.gz DOSKMLLLVZWTPP-FZMZJTMJSA-N 1 1 307.350 1.411 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000172163781 198049714 /nfs/dbraw/zinc/04/97/14/198049714.db2.gz VXRMJCCSSMJFBA-NSHDSACASA-N 1 1 323.397 1.875 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000047142667 352483169 /nfs/dbraw/zinc/48/31/69/352483169.db2.gz AXLSJEJYDGTUKW-NSHDSACASA-N 1 1 306.366 1.781 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048023420 352521173 /nfs/dbraw/zinc/52/11/73/352521173.db2.gz NUPHTBALNDPNRZ-CQSZACIVSA-N 1 1 310.350 1.445 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000063489996 352914489 /nfs/dbraw/zinc/91/44/89/352914489.db2.gz FJYBTQVBKAIHCV-ZDUSSCGKSA-N 1 1 321.377 1.820 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2N)[nH+]1 ZINC000344928873 282873611 /nfs/dbraw/zinc/87/36/11/282873611.db2.gz VZICYRRMZPRVGF-UHFFFAOYSA-N 1 1 315.333 1.722 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000069475987 353162919 /nfs/dbraw/zinc/16/29/19/353162919.db2.gz PTFOIQJTEVFYLO-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000277123389 213308218 /nfs/dbraw/zinc/30/82/18/213308218.db2.gz BCZSNCNOCUNTAO-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075744948 353378949 /nfs/dbraw/zinc/37/89/49/353378949.db2.gz OEGKCHNRGHITIU-HIFRSBDPSA-N 1 1 310.398 1.910 20 5 DDBDMO Cc1cnc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000078657968 353526682 /nfs/dbraw/zinc/52/66/82/353526682.db2.gz USRGDATWKUFQML-LBPRGKRZSA-N 1 1 321.381 1.298 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601291479 358480102 /nfs/dbraw/zinc/48/01/02/358480102.db2.gz KQRHMNTXMFXBEY-OSAQELSMSA-N 1 1 316.361 1.778 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930601 353784033 /nfs/dbraw/zinc/78/40/33/353784033.db2.gz XHYRNOWWRRLCJY-CMPLNLGQSA-N 1 1 307.350 1.287 20 5 DDBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000093280903 353892058 /nfs/dbraw/zinc/89/20/58/353892058.db2.gz OCSYQBJWULVUSF-GFCCVEGCSA-N 1 1 324.381 1.703 20 5 DDBDMO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000093343562 353897640 /nfs/dbraw/zinc/89/76/40/353897640.db2.gz XINRGLZAGHATTP-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000093343562 353897642 /nfs/dbraw/zinc/89/76/42/353897642.db2.gz XINRGLZAGHATTP-DFBGVHRSSA-N 1 1 319.361 1.403 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(C)=O)CC1 ZINC000125172252 354044158 /nfs/dbraw/zinc/04/41/58/354044158.db2.gz GCESKLJELXQUMI-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000278830123 354416104 /nfs/dbraw/zinc/41/61/04/354416104.db2.gz IFWVELFHWDNLFG-INIZCTEOSA-N 1 1 319.361 1.576 20 5 DDBDMO O=C(C[N@H+]1CCCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000318623161 354515991 /nfs/dbraw/zinc/51/59/91/354515991.db2.gz PHQBXLAIUJFBHY-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(C[N@@H+]1CCCCC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000318623161 354515995 /nfs/dbraw/zinc/51/59/95/354515995.db2.gz PHQBXLAIUJFBHY-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@H]2C1 ZINC000585779640 354839602 /nfs/dbraw/zinc/83/96/02/354839602.db2.gz HPHVDOBKSKGTAJ-HZMBPMFUSA-N 1 1 306.366 1.200 20 5 DDBDMO Nc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587837757 354886609 /nfs/dbraw/zinc/88/66/09/354886609.db2.gz DLVJPJIHIVHQNS-JTQLQIEISA-N 1 1 317.349 1.776 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000588158180 354906305 /nfs/dbraw/zinc/90/63/05/354906305.db2.gz KPMBOFJAQDMCSL-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](O)C2CC2)c1 ZINC000589516403 354998658 /nfs/dbraw/zinc/99/86/58/354998658.db2.gz URFIWRTTWZFSHS-CQSZACIVSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H](O)C2CC2)c1 ZINC000589516403 354998662 /nfs/dbraw/zinc/99/86/62/354998662.db2.gz URFIWRTTWZFSHS-CQSZACIVSA-N 1 1 308.334 1.584 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590344481 355074885 /nfs/dbraw/zinc/07/48/85/355074885.db2.gz TYXRBPVZCXPUKN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000590344481 355074886 /nfs/dbraw/zinc/07/48/86/355074886.db2.gz TYXRBPVZCXPUKN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000590344481 355074889 /nfs/dbraw/zinc/07/48/89/355074889.db2.gz TYXRBPVZCXPUKN-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000590573554 355117331 /nfs/dbraw/zinc/11/73/31/355117331.db2.gz BPHVGQOIJOKFTG-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442880 355096354 /nfs/dbraw/zinc/09/63/54/355096354.db2.gz HRYNJIYFQBPIJK-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442880 355096356 /nfs/dbraw/zinc/09/63/56/355096356.db2.gz HRYNJIYFQBPIJK-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442880 355096358 /nfs/dbraw/zinc/09/63/58/355096358.db2.gz HRYNJIYFQBPIJK-KOLCDFICSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442883 355096746 /nfs/dbraw/zinc/09/67/46/355096746.db2.gz HRYNJIYFQBPIJK-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442883 355096752 /nfs/dbraw/zinc/09/67/52/355096752.db2.gz HRYNJIYFQBPIJK-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590442883 355096756 /nfs/dbraw/zinc/09/67/56/355096756.db2.gz HRYNJIYFQBPIJK-ONGXEEELSA-N 1 1 307.354 1.047 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000601319468 358494057 /nfs/dbraw/zinc/49/40/57/358494057.db2.gz AXZIRYGWOHCPEL-VIFPVBQESA-N 1 1 319.408 1.337 20 5 DDBDMO CC(C)O[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000593055559 355781896 /nfs/dbraw/zinc/78/18/96/355781896.db2.gz LQBZPPXGOBDPGM-UONOGXRCSA-N 1 1 312.370 1.042 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107650 355799858 /nfs/dbraw/zinc/79/98/58/355799858.db2.gz LZSFWKCNOSWICL-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107650 355799862 /nfs/dbraw/zinc/79/98/62/355799862.db2.gz LZSFWKCNOSWICL-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC000593424482 355880966 /nfs/dbraw/zinc/88/09/66/355880966.db2.gz IAOWLUCOUHSLQP-ZDUSSCGKSA-N 1 1 314.345 1.979 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026162 356092714 /nfs/dbraw/zinc/09/27/14/356092714.db2.gz DWROADFVBNQBCV-HNNXBMFYSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000594063657 356103960 /nfs/dbraw/zinc/10/39/60/356103960.db2.gz KPTCBJILEYSDGF-NSHDSACASA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000594063657 356103965 /nfs/dbraw/zinc/10/39/65/356103965.db2.gz KPTCBJILEYSDGF-NSHDSACASA-N 1 1 319.361 1.329 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594065569 356104141 /nfs/dbraw/zinc/10/41/41/356104141.db2.gz SKFINWNIXKNPIR-NSHDSACASA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000594065569 356104145 /nfs/dbraw/zinc/10/41/45/356104145.db2.gz SKFINWNIXKNPIR-NSHDSACASA-N 1 1 307.350 1.687 20 5 DDBDMO O=[N+]([O-])c1ccc(-n2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000594640748 356269116 /nfs/dbraw/zinc/26/91/16/356269116.db2.gz PSUPRSIYIVUQAU-CQSZACIVSA-N 1 1 303.322 1.132 20 5 DDBDMO O=[N+]([O-])c1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc1 ZINC000594640748 356269120 /nfs/dbraw/zinc/26/91/20/356269120.db2.gz PSUPRSIYIVUQAU-CQSZACIVSA-N 1 1 303.322 1.132 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000594501973 356238767 /nfs/dbraw/zinc/23/87/67/356238767.db2.gz GNAVEBJPJOMEAZ-HNNXBMFYSA-N 1 1 305.378 1.938 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000595032291 356374588 /nfs/dbraw/zinc/37/45/88/356374588.db2.gz MCVGCLPUDOIYEC-ABAIWWIYSA-N 1 1 309.366 1.321 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cnccn1 ZINC000595474086 356507748 /nfs/dbraw/zinc/50/77/48/356507748.db2.gz CUNBXQWHXMNQTF-UHFFFAOYSA-N 1 1 315.333 1.498 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cnccn1 ZINC000595474086 356507751 /nfs/dbraw/zinc/50/77/51/356507751.db2.gz CUNBXQWHXMNQTF-UHFFFAOYSA-N 1 1 315.333 1.498 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766585 356643958 /nfs/dbraw/zinc/64/39/58/356643958.db2.gz QDPKINPPQGBTGK-VXGBXAGGSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595766585 356643964 /nfs/dbraw/zinc/64/39/64/356643964.db2.gz QDPKINPPQGBTGK-VXGBXAGGSA-N 1 1 307.350 1.687 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC4(COC4)C3)o2)cc1 ZINC000595833157 356669293 /nfs/dbraw/zinc/66/92/93/356669293.db2.gz ANEICUNRDZXDIM-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC4(COC4)C3)o2)cc1 ZINC000595833157 356669299 /nfs/dbraw/zinc/66/92/99/356669299.db2.gz ANEICUNRDZXDIM-UHFFFAOYSA-N 1 1 316.317 1.867 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000595852193 356678296 /nfs/dbraw/zinc/67/82/96/356678296.db2.gz YOEOMARFWZMUJP-NSHDSACASA-N 1 1 310.354 1.628 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1[N+](=O)[O-] ZINC000595852193 356678299 /nfs/dbraw/zinc/67/82/99/356678299.db2.gz YOEOMARFWZMUJP-NSHDSACASA-N 1 1 310.354 1.628 20 5 DDBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595852037 356678373 /nfs/dbraw/zinc/67/83/73/356678373.db2.gz XDSVTKUGPDMXES-LBPRGKRZSA-N 1 1 309.370 1.028 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H]2COC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829508 356666651 /nfs/dbraw/zinc/66/66/51/356666651.db2.gz IGDDJANBBURVBU-CHWSQXEVSA-N 1 1 319.361 1.526 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595873315 356686872 /nfs/dbraw/zinc/68/68/72/356686872.db2.gz LLJFXEFQABKQIV-BLLLJJGKSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595873315 356686876 /nfs/dbraw/zinc/68/68/76/356686876.db2.gz LLJFXEFQABKQIV-BLLLJJGKSA-N 1 1 321.377 1.792 20 5 DDBDMO [NH3+]C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000595948241 356718458 /nfs/dbraw/zinc/71/84/58/356718458.db2.gz CDZODYAUAUOHDF-UHFFFAOYSA-N 1 1 303.322 1.472 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)CO ZINC000597237038 357105952 /nfs/dbraw/zinc/10/59/52/357105952.db2.gz VZCDNDMKWCXXHT-BZNIZROVSA-N 1 1 322.361 1.816 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1COCCO1 ZINC000597207824 357092663 /nfs/dbraw/zinc/09/26/63/357092663.db2.gz VYPVBXFDEOTGRS-GFCCVEGCSA-N 1 1 324.333 1.213 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1COCCO1 ZINC000597207824 357092666 /nfs/dbraw/zinc/09/26/66/357092666.db2.gz VYPVBXFDEOTGRS-GFCCVEGCSA-N 1 1 324.333 1.213 20 5 DDBDMO CN(CC1C[NH+](C)C1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598160602 357477927 /nfs/dbraw/zinc/47/79/27/357477927.db2.gz NMXASIJXXVVEQB-UHFFFAOYSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598453200 357588223 /nfs/dbraw/zinc/58/82/23/357588223.db2.gz PZCFVWQXZXBOJP-OAHLLOKOSA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651466 357671740 /nfs/dbraw/zinc/67/17/40/357671740.db2.gz SVENGAPEZBXIAW-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651466 357671745 /nfs/dbraw/zinc/67/17/45/357671745.db2.gz SVENGAPEZBXIAW-YPMHNXCESA-N 1 1 321.377 1.792 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c(OC(F)F)c1 ZINC000599199639 357847415 /nfs/dbraw/zinc/84/74/15/357847415.db2.gz ODFGSQDGDARXMJ-JTQLQIEISA-N 1 1 317.292 1.675 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000347975361 283312665 /nfs/dbraw/zinc/31/26/65/283312665.db2.gz HZIIGDBQCAKDMB-GFCCVEGCSA-N 1 1 306.366 1.901 20 5 DDBDMO CNC(=O)[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601140073 358417587 /nfs/dbraw/zinc/41/75/87/358417587.db2.gz RACNZRBGLZSFIF-AWEZNQCLSA-N 1 1 316.317 1.094 20 5 DDBDMO CCN1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000601170751 358431551 /nfs/dbraw/zinc/43/15/51/358431551.db2.gz DNJXTUPDUZIIBZ-JTQLQIEISA-N 1 1 300.318 1.598 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601172729 358432453 /nfs/dbraw/zinc/43/24/53/358432453.db2.gz HOACFGCBXCGJGP-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000601959801 358753403 /nfs/dbraw/zinc/75/34/03/358753403.db2.gz SHEDPSGHNMJXLX-HNNXBMFYSA-N 1 1 302.334 1.428 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601974854 358761346 /nfs/dbraw/zinc/76/13/46/358761346.db2.gz RPAVUXJBXDCPFT-BETUJISGSA-N 1 1 319.361 1.810 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602455886 358989234 /nfs/dbraw/zinc/98/92/34/358989234.db2.gz ZCBBORNLBMGDSI-LLVKDONJSA-N 1 1 309.370 1.067 20 5 DDBDMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000602577938 359052450 /nfs/dbraw/zinc/05/24/50/359052450.db2.gz RLQBZOARTZJLIO-STFLBKPXSA-N 1 1 322.390 1.917 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000602797809 359199514 /nfs/dbraw/zinc/19/95/14/359199514.db2.gz DOBVEGQYLQRIPK-ZDUSSCGKSA-N 1 1 319.369 1.103 20 5 DDBDMO Cn1cc(C[N@H+](C)[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602883146 359266868 /nfs/dbraw/zinc/26/68/68/359266868.db2.gz IGXFKVVMFXOLDX-AWEZNQCLSA-N 1 1 304.350 1.364 20 5 DDBDMO Cn1cc(C[N@@H+](C)[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602883146 359266871 /nfs/dbraw/zinc/26/68/71/359266871.db2.gz IGXFKVVMFXOLDX-AWEZNQCLSA-N 1 1 304.350 1.364 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997843 359346537 /nfs/dbraw/zinc/34/65/37/359346537.db2.gz RXEPSEKECZRDHI-KFWWJZLASA-N 1 1 321.377 1.382 20 5 DDBDMO Cc1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603400380 359616448 /nfs/dbraw/zinc/61/64/48/359616448.db2.gz GZOMUBLASOXKNQ-ZDUSSCGKSA-N 1 1 320.393 1.988 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000603400279 359616730 /nfs/dbraw/zinc/61/67/30/359616730.db2.gz FLKNNBQXFSXPKC-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO COc1ccc(OCCN[C@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])c1 ZINC000603430958 359635042 /nfs/dbraw/zinc/63/50/42/359635042.db2.gz DDEHABNBOZKNCT-KGLIPLIRSA-N 1 1 309.366 1.698 20 5 DDBDMO Cn1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431399 359636197 /nfs/dbraw/zinc/63/61/97/359636197.db2.gz WTRWYUQXPPVKMW-FPMFFAJLSA-N 1 1 323.397 1.047 20 5 DDBDMO C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000618588305 363683892 /nfs/dbraw/zinc/68/38/92/363683892.db2.gz XCBNDNGXHGCPRH-TVQRCGJNSA-N 1 1 305.338 1.024 20 5 DDBDMO C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000618588305 363683893 /nfs/dbraw/zinc/68/38/93/363683893.db2.gz XCBNDNGXHGCPRH-TVQRCGJNSA-N 1 1 305.338 1.024 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000609476892 360311281 /nfs/dbraw/zinc/31/12/81/360311281.db2.gz YEMCCKLJZKAJFI-NSHDSACASA-N 1 1 323.397 1.873 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000610112036 360382856 /nfs/dbraw/zinc/38/28/56/360382856.db2.gz SAMHGNSSJMCEBL-UHFFFAOYSA-N 1 1 311.386 1.684 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395584 360425311 /nfs/dbraw/zinc/42/53/11/360425311.db2.gz JTBJGWDGXNKHMQ-GFCCVEGCSA-N 1 1 321.377 1.797 20 5 DDBDMO C[C@@H]1CCN(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610395584 360425317 /nfs/dbraw/zinc/42/53/17/360425317.db2.gz JTBJGWDGXNKHMQ-GFCCVEGCSA-N 1 1 321.377 1.797 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000610705843 360511208 /nfs/dbraw/zinc/51/12/08/360511208.db2.gz JWRCTOILVVUBFQ-UHFFFAOYSA-N 1 1 319.361 1.268 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712469 360512350 /nfs/dbraw/zinc/51/23/50/360512350.db2.gz BWNUIPZHLWDQTB-GXFFZTMASA-N 1 1 321.381 1.125 20 5 DDBDMO Nc1ccc(N2CCN(c3sccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000301943083 283664287 /nfs/dbraw/zinc/66/42/87/283664287.db2.gz XWWKFDOLTYIYJI-UHFFFAOYSA-N 1 1 305.363 1.960 20 5 DDBDMO COc1cccc(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000195413664 201388412 /nfs/dbraw/zinc/38/84/12/201388412.db2.gz OTMFNFVYTBZYGB-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275347803 212284445 /nfs/dbraw/zinc/28/44/45/212284445.db2.gz JAPOOYRZSSNTPK-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275347803 212284448 /nfs/dbraw/zinc/28/44/48/212284448.db2.gz JAPOOYRZSSNTPK-VHSXEESVSA-N 1 1 314.773 1.535 20 5 DDBDMO O=C(NCC[C@H]1CC[NH2+]C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262607919 203350245 /nfs/dbraw/zinc/35/02/45/203350245.db2.gz ZRCPIRQUDURCDM-SECBINFHSA-N 1 1 303.322 1.201 20 5 DDBDMO NC(=O)c1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])on1 ZINC000350393965 284190130 /nfs/dbraw/zinc/19/01/30/284190130.db2.gz QFVIBHYTYWDZOF-HWKANZROSA-N 1 1 302.290 1.485 20 5 DDBDMO C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000264637232 204044943 /nfs/dbraw/zinc/04/49/43/204044943.db2.gz PJILIAOJRKMREE-UHFFFAOYSA-N 1 1 316.317 1.236 20 5 DDBDMO Cc1cnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000266226057 205198594 /nfs/dbraw/zinc/19/85/94/205198594.db2.gz RUKOCVKSIIUUQS-NSHDSACASA-N 1 1 307.354 1.050 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266276446 205232452 /nfs/dbraw/zinc/23/24/52/205232452.db2.gz SHIOMQRJXXMPFS-UHFFFAOYSA-N 1 1 304.310 1.096 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000336858941 249266482 /nfs/dbraw/zinc/26/64/82/249266482.db2.gz CYOFCGGTDQOVNZ-SECBINFHSA-N 1 1 306.322 1.425 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284740407 218158127 /nfs/dbraw/zinc/15/81/27/218158127.db2.gz DJIMXOKRVHQONB-JKSUJKDBSA-N 1 1 321.377 1.379 20 5 DDBDMO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000338966784 250222692 /nfs/dbraw/zinc/22/26/92/250222692.db2.gz YZIYJJBZDOTZBG-AWEZNQCLSA-N 1 1 319.361 1.873 20 5 DDBDMO CCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000338966784 250222695 /nfs/dbraw/zinc/22/26/95/250222695.db2.gz YZIYJJBZDOTZBG-AWEZNQCLSA-N 1 1 319.361 1.873 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000288597253 220274483 /nfs/dbraw/zinc/27/44/83/220274483.db2.gz DWVZTYJUKVMUTE-QWRGUYRKSA-N 1 1 307.350 1.287 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000109992420 194302764 /nfs/dbraw/zinc/30/27/64/194302764.db2.gz HDSYLTDERZKPPQ-VIFPVBQESA-N 1 1 303.322 1.153 20 5 DDBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109992420 194302766 /nfs/dbraw/zinc/30/27/66/194302766.db2.gz HDSYLTDERZKPPQ-VIFPVBQESA-N 1 1 303.322 1.153 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109992420 194302768 /nfs/dbraw/zinc/30/27/68/194302768.db2.gz HDSYLTDERZKPPQ-VIFPVBQESA-N 1 1 303.322 1.153 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000157319261 197178638 /nfs/dbraw/zinc/17/86/38/197178638.db2.gz YZVYADAHPHXOLR-UHFFFAOYSA-N 1 1 301.350 1.614 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000289679220 221149731 /nfs/dbraw/zinc/14/97/31/221149731.db2.gz VFGXCJHSQSJODT-LLVKDONJSA-N 1 1 315.395 1.602 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000294998560 224368629 /nfs/dbraw/zinc/36/86/29/224368629.db2.gz REXBEPDGAPARAB-LLVKDONJSA-N 1 1 314.773 1.902 20 5 DDBDMO Cc1nnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000570391252 304409104 /nfs/dbraw/zinc/40/91/04/304409104.db2.gz ZWVWCWRTHCNIGT-NSHDSACASA-N 1 1 324.362 1.284 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000068336845 406633143 /nfs/dbraw/zinc/63/31/43/406633143.db2.gz IGTGBAFALUPENP-BQYQJAHWSA-N 1 1 307.350 1.302 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000074137811 406902874 /nfs/dbraw/zinc/90/28/74/406902874.db2.gz WCVPUIDYCJZLLB-ZDUSSCGKSA-N 1 1 320.393 1.208 20 5 DDBDMO COCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054353622 407183181 /nfs/dbraw/zinc/18/31/81/407183181.db2.gz HTNQFYOOUPPZBR-UHFFFAOYSA-N 1 1 311.338 1.510 20 5 DDBDMO C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379399 407272325 /nfs/dbraw/zinc/27/23/25/407272325.db2.gz UIOMHPVRAMROAO-LSDHHAIUSA-N 1 1 319.361 1.811 20 5 DDBDMO C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379399 407272327 /nfs/dbraw/zinc/27/23/27/407272327.db2.gz UIOMHPVRAMROAO-LSDHHAIUSA-N 1 1 319.361 1.811 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000123941660 407343963 /nfs/dbraw/zinc/34/39/63/407343963.db2.gz LFMJRECRFNCDEQ-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000123941660 407343965 /nfs/dbraw/zinc/34/39/65/407343965.db2.gz LFMJRECRFNCDEQ-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000126103398 407405591 /nfs/dbraw/zinc/40/55/91/407405591.db2.gz GQJZUEIPCGIYDZ-FVINQWEUSA-N 1 1 300.380 1.802 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000126103398 407405593 /nfs/dbraw/zinc/40/55/93/407405593.db2.gz GQJZUEIPCGIYDZ-FVINQWEUSA-N 1 1 300.380 1.802 20 5 DDBDMO C[C@H](O)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111288402 407407107 /nfs/dbraw/zinc/40/71/07/407407107.db2.gz JGUVVFHTYITGOD-LBPRGKRZSA-N 1 1 321.377 1.650 20 5 DDBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270968060 407442643 /nfs/dbraw/zinc/44/26/43/407442643.db2.gz VTLDDFAQAVVHFE-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000185945534 407548147 /nfs/dbraw/zinc/54/81/47/407548147.db2.gz NRDTZBQHHSPDQH-HNNXBMFYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@]1(C(N)=O)CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000185945534 407548151 /nfs/dbraw/zinc/54/81/51/407548151.db2.gz NRDTZBQHHSPDQH-HNNXBMFYSA-N 1 1 307.350 1.704 20 5 DDBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186487629 407679747 /nfs/dbraw/zinc/67/97/47/407679747.db2.gz AEUAVUKWMKYAIH-YGRLFVJLSA-N 1 1 317.349 1.739 20 5 DDBDMO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000230993722 407696820 /nfs/dbraw/zinc/69/68/20/407696820.db2.gz GLSKUFOMJKRVDO-JTQLQIEISA-N 1 1 301.368 1.137 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000186710287 407751988 /nfs/dbraw/zinc/75/19/88/407751988.db2.gz NQLIWFXVMFZZMB-INIZCTEOSA-N 1 1 314.345 1.923 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000267150789 407768013 /nfs/dbraw/zinc/76/80/13/407768013.db2.gz MMVJBPXZXMBNKS-NSHDSACASA-N 1 1 309.366 1.933 20 5 DDBDMO COc1cc(CNC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000237242204 407807401 /nfs/dbraw/zinc/80/74/01/407807401.db2.gz CUPRTEHPFSMQJY-LBPRGKRZSA-N 1 1 309.366 1.796 20 5 DDBDMO COc1cc(CNC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000237242204 407807406 /nfs/dbraw/zinc/80/74/06/407807406.db2.gz CUPRTEHPFSMQJY-LBPRGKRZSA-N 1 1 309.366 1.796 20 5 DDBDMO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000268023576 407861221 /nfs/dbraw/zinc/86/12/21/407861221.db2.gz LJSJLZOMQIMVDH-LBPRGKRZSA-N 1 1 306.366 1.921 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154060549 407965972 /nfs/dbraw/zinc/96/59/72/407965972.db2.gz OOHUVZBFGXWWDP-CQSZACIVSA-N 1 1 321.377 1.772 20 5 DDBDMO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000175099405 408049018 /nfs/dbraw/zinc/04/90/18/408049018.db2.gz BQMTWEQJYXPOJY-UHFFFAOYSA-N 1 1 323.393 1.900 20 5 DDBDMO CC(C)[NH+]1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000268452732 408050755 /nfs/dbraw/zinc/05/07/55/408050755.db2.gz WJMUMNLQWICBLZ-UHFFFAOYSA-N 1 1 307.394 1.920 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000182320984 408125168 /nfs/dbraw/zinc/12/51/68/408125168.db2.gz ROFOEMRDWYTPEB-CYBMUJFWSA-N 1 1 322.361 1.589 20 5 DDBDMO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268505721 408073269 /nfs/dbraw/zinc/07/32/69/408073269.db2.gz BEJDHNNMDPOWNZ-UHFFFAOYSA-N 1 1 309.366 1.677 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC2(CCC2)C1 ZINC000182320984 408125172 /nfs/dbraw/zinc/12/51/72/408125172.db2.gz ROFOEMRDWYTPEB-CYBMUJFWSA-N 1 1 322.361 1.589 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182242495 408103045 /nfs/dbraw/zinc/10/30/45/408103045.db2.gz LTJHUTQBLAQSHH-MJBXVCDLSA-N 1 1 324.377 1.570 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]Cc2ccccc21 ZINC000269174817 408228586 /nfs/dbraw/zinc/22/85/86/408228586.db2.gz LJMYTIXRPLNIIC-UHFFFAOYSA-N 1 1 315.333 1.318 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173282380 162330177 /nfs/dbraw/zinc/33/01/77/162330177.db2.gz MUMSSJVNWSKRKU-CYBMUJFWSA-N 1 1 321.381 1.172 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000173751628 162361888 /nfs/dbraw/zinc/36/18/88/162361888.db2.gz ZHBOBZRHYAULQB-HOTGVXAUSA-N 1 1 320.393 1.975 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247302570 408447219 /nfs/dbraw/zinc/44/72/19/408447219.db2.gz LMICUORNKNXPPL-CVEARBPZSA-N 1 1 322.361 1.853 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000247302570 408447224 /nfs/dbraw/zinc/44/72/24/408447224.db2.gz LMICUORNKNXPPL-CVEARBPZSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247311822 408450598 /nfs/dbraw/zinc/45/05/98/408450598.db2.gz HMGIBVXCJZTOJJ-IUODEOHRSA-N 1 1 321.377 1.772 20 5 DDBDMO CC[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247157036 408418780 /nfs/dbraw/zinc/41/87/80/408418780.db2.gz IUEVFRFEEPCCHE-TZMCWYRMSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247157036 408418784 /nfs/dbraw/zinc/41/87/84/408418784.db2.gz IUEVFRFEEPCCHE-TZMCWYRMSA-N 1 1 310.350 1.445 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3ccccn3)CC2)n1 ZINC000183833107 408499234 /nfs/dbraw/zinc/49/92/34/408499234.db2.gz CXKJGGOIKBEOSC-UHFFFAOYSA-N 1 1 316.365 1.399 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183985440 408525751 /nfs/dbraw/zinc/52/57/51/408525751.db2.gz WWJDBSVIQVOCRK-OUKQBFOZSA-N 1 1 321.377 1.429 20 5 DDBDMO C[C@H](c1ccccn1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270680761 408633558 /nfs/dbraw/zinc/63/35/58/408633558.db2.gz URCSPOHINMCOLU-YPMHNXCESA-N 1 1 305.338 1.240 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1O ZINC000249568588 408742672 /nfs/dbraw/zinc/74/26/72/408742672.db2.gz NOXJMGAIKGNBIV-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1O ZINC000249568588 408742678 /nfs/dbraw/zinc/74/26/78/408742678.db2.gz NOXJMGAIKGNBIV-UGFHNGPFSA-N 1 1 319.361 1.403 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000275831882 408689369 /nfs/dbraw/zinc/68/93/69/408689369.db2.gz YMZWJAJCLJAMAZ-UHFFFAOYSA-N 1 1 320.349 1.987 20 5 DDBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251604256 408782449 /nfs/dbraw/zinc/78/24/49/408782449.db2.gz FWNVTPSLKZWTNH-QMTHXVAHSA-N 1 1 307.350 1.551 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000270932648 408746116 /nfs/dbraw/zinc/74/61/16/408746116.db2.gz QIWAYYPVQJQEHU-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1O ZINC000270932648 408746118 /nfs/dbraw/zinc/74/61/18/408746118.db2.gz QIWAYYPVQJQEHU-GWCFXTLKSA-N 1 1 318.333 1.848 20 5 DDBDMO COC(=O)c1cnc(N[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000276553291 408881768 /nfs/dbraw/zinc/88/17/68/408881768.db2.gz KODXESWOJLJMHU-NSHDSACASA-N 1 1 308.338 1.671 20 5 DDBDMO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000276300509 408831466 /nfs/dbraw/zinc/83/14/66/408831466.db2.gz MYQYRZUIVIYHLG-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CC1 ZINC000276300509 408831469 /nfs/dbraw/zinc/83/14/69/408831469.db2.gz MYQYRZUIVIYHLG-UHFFFAOYSA-N 1 1 313.379 1.504 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000290859521 408845052 /nfs/dbraw/zinc/84/50/52/408845052.db2.gz ADFBHCKBVNGQST-SNVBAGLBSA-N 1 1 311.386 1.900 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000281999010 408969193 /nfs/dbraw/zinc/96/91/93/408969193.db2.gz UDJBOBYHJDLXBC-SNVBAGLBSA-N 1 1 300.384 1.964 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000277638640 408982479 /nfs/dbraw/zinc/98/24/79/408982479.db2.gz TUHZCGDKHVQUOJ-HZMBPMFUSA-N 1 1 319.361 1.816 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292652552 409038869 /nfs/dbraw/zinc/03/88/69/409038869.db2.gz BVKBJFLJVQFFMA-PHIMTYICSA-N 1 1 322.365 1.695 20 5 DDBDMO CCOC(=O)c1ccnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292652552 409038871 /nfs/dbraw/zinc/03/88/71/409038871.db2.gz BVKBJFLJVQFFMA-PHIMTYICSA-N 1 1 322.365 1.695 20 5 DDBDMO CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000283142075 409096838 /nfs/dbraw/zinc/09/68/38/409096838.db2.gz XXLSIIATKJWCIE-JTQLQIEISA-N 1 1 305.294 1.546 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000248529512 163596911 /nfs/dbraw/zinc/59/69/11/163596911.db2.gz DSAWPCPXUKTZTM-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000293425310 409111057 /nfs/dbraw/zinc/11/10/57/409111057.db2.gz NIWCFUDNCHPELC-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293425310 409111063 /nfs/dbraw/zinc/11/10/63/409111063.db2.gz NIWCFUDNCHPELC-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293425310 409111065 /nfs/dbraw/zinc/11/10/65/409111065.db2.gz NIWCFUDNCHPELC-HZSPNIEDSA-N 1 1 323.393 1.359 20 5 DDBDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000283292916 409130217 /nfs/dbraw/zinc/13/02/17/409130217.db2.gz MSTPOZIUTSWEQQ-UHFFFAOYSA-N 1 1 322.365 1.509 20 5 DDBDMO C[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293872861 409198563 /nfs/dbraw/zinc/19/85/63/409198563.db2.gz VACFQQYKYWAMPZ-STQMWFEESA-N 1 1 321.425 1.464 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295164059 409350857 /nfs/dbraw/zinc/35/08/57/409350857.db2.gz FRTXTPVWMKNYMN-ZDUSSCGKSA-N 1 1 312.366 1.285 20 5 DDBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295389142 409460951 /nfs/dbraw/zinc/46/09/51/409460951.db2.gz KZODMTYQMSYXRX-JYJNAYRXSA-N 1 1 321.377 1.033 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318746110 164033537 /nfs/dbraw/zinc/03/35/37/164033537.db2.gz YGRJQQHAHLLALN-JTQLQIEISA-N 1 1 310.329 1.482 20 5 DDBDMO CNc1c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000324009200 164049249 /nfs/dbraw/zinc/04/92/49/164049249.db2.gz NQLAIUFRNHSLCE-INIZCTEOSA-N 1 1 318.377 1.804 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408075846 164220052 /nfs/dbraw/zinc/22/00/52/164220052.db2.gz ZYLWWTSLUVZGDQ-UWVGGRQHSA-N 1 1 317.349 1.636 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000408075846 164220054 /nfs/dbraw/zinc/22/00/54/164220054.db2.gz ZYLWWTSLUVZGDQ-UWVGGRQHSA-N 1 1 317.349 1.636 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290694980 409490015 /nfs/dbraw/zinc/49/00/15/409490015.db2.gz VDGLIZLEIRVDKA-NSHDSACASA-N 1 1 321.381 1.621 20 5 DDBDMO C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000296300777 409497579 /nfs/dbraw/zinc/49/75/79/409497579.db2.gz COBSTDSNBQEITK-BETUJISGSA-N 1 1 320.393 1.871 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342406695 409602286 /nfs/dbraw/zinc/60/22/86/409602286.db2.gz HWYPSNYELUMMQM-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891008 409690743 /nfs/dbraw/zinc/69/07/43/409690743.db2.gz WCVYAGCNCZKOSW-QWHCGFSZSA-N 1 1 320.393 1.948 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C ZINC000297929881 410050902 /nfs/dbraw/zinc/05/09/02/410050902.db2.gz RCTCQSDATWFAFU-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1C ZINC000297929881 410050910 /nfs/dbraw/zinc/05/09/10/410050910.db2.gz RCTCQSDATWFAFU-NSHDSACASA-N 1 1 323.349 1.653 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000339389467 410150437 /nfs/dbraw/zinc/15/04/37/410150437.db2.gz CCSAYMMOILPBAN-HOTGVXAUSA-N 1 1 305.378 1.890 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000346695007 410088909 /nfs/dbraw/zinc/08/89/09/410088909.db2.gz XRTIGVQTGIDDNE-ZWNOBZJWSA-N 1 1 308.334 1.987 20 5 DDBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000298236615 410144671 /nfs/dbraw/zinc/14/46/71/410144671.db2.gz IJHGZKDSSORGMO-INIZCTEOSA-N 1 1 318.377 1.901 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000355065542 410280224 /nfs/dbraw/zinc/28/02/24/410280224.db2.gz ZHTFFCWILVQLQO-UHFFFAOYSA-N 1 1 310.354 1.177 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000351774802 410224271 /nfs/dbraw/zinc/22/42/71/410224271.db2.gz NXSDZXPXNLWHRK-LERXQTSPSA-N 1 1 305.334 1.013 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000351774802 410224274 /nfs/dbraw/zinc/22/42/74/410224274.db2.gz NXSDZXPXNLWHRK-LERXQTSPSA-N 1 1 305.334 1.013 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000352013315 410411986 /nfs/dbraw/zinc/41/19/86/410411986.db2.gz IPRQUWYDWRMPJD-WDEREUQCSA-N 1 1 309.370 1.041 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347335062 410479392 /nfs/dbraw/zinc/47/93/92/410479392.db2.gz NHQVUIIBYNJRFP-AOOOYVTPSA-N 1 1 300.742 1.566 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347335062 410479400 /nfs/dbraw/zinc/47/94/00/410479400.db2.gz NHQVUIIBYNJRFP-AOOOYVTPSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343609415 410567543 /nfs/dbraw/zinc/56/75/43/410567543.db2.gz SJUUGEFOEVFGRD-AAEUAGOBSA-N 1 1 306.366 1.877 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000299213248 410570119 /nfs/dbraw/zinc/57/01/19/410570119.db2.gz HTDYELCWEUDVGJ-UHFFFAOYSA-N 1 1 307.350 1.389 20 5 DDBDMO O=C(CCN1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000359305296 410591809 /nfs/dbraw/zinc/59/18/09/410591809.db2.gz KTBHMENRKKTCNT-VXGBXAGGSA-N 1 1 304.350 1.075 20 5 DDBDMO Cc1c(NC(=O)CCN2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000359305457 410593675 /nfs/dbraw/zinc/59/36/75/410593675.db2.gz LCIQGKZSBDLDPQ-BETUJISGSA-N 1 1 318.377 1.383 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352204017 410543989 /nfs/dbraw/zinc/54/39/89/410543989.db2.gz WFKVQLKOLZATEZ-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000352204017 410543997 /nfs/dbraw/zinc/54/39/97/410543997.db2.gz WFKVQLKOLZATEZ-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000343583945 410552711 /nfs/dbraw/zinc/55/27/11/410552711.db2.gz ZIULSRCPHGZWRU-GFCCVEGCSA-N 1 1 323.397 1.517 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccco1 ZINC000352570402 410668544 /nfs/dbraw/zinc/66/85/44/410668544.db2.gz GWJBGJLVCDRIAX-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccco1 ZINC000352570402 410668548 /nfs/dbraw/zinc/66/85/48/410668548.db2.gz GWJBGJLVCDRIAX-UHFFFAOYSA-N 1 1 317.345 1.979 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301197145 410674866 /nfs/dbraw/zinc/67/48/66/410674866.db2.gz UQYJELUQTGODTP-NSHDSACASA-N 1 1 324.356 1.733 20 5 DDBDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343807241 410715231 /nfs/dbraw/zinc/71/52/31/410715231.db2.gz TURNZJDZRXJHQL-NEPJUHHUSA-N 1 1 323.397 1.948 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344064112 410933258 /nfs/dbraw/zinc/93/32/58/410933258.db2.gz OSNAMWMAWKDLEC-ZAZJYDDPSA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344064112 410933261 /nfs/dbraw/zinc/93/32/61/410933261.db2.gz OSNAMWMAWKDLEC-ZAZJYDDPSA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@@H]1C[C@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344133177 410979226 /nfs/dbraw/zinc/97/92/26/410979226.db2.gz PVXWHSINWAOKJG-MGPQQGTHSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353467329 411007068 /nfs/dbraw/zinc/00/70/68/411007068.db2.gz BFKHIONZKDEODA-GFCCVEGCSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353467329 411007073 /nfs/dbraw/zinc/00/70/73/411007073.db2.gz BFKHIONZKDEODA-GFCCVEGCSA-N 1 1 313.379 1.156 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356500216 411057154 /nfs/dbraw/zinc/05/71/54/411057154.db2.gz DNRFUSMFKOMQHG-UHFFFAOYSA-N 1 1 308.382 1.208 20 5 DDBDMO CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000356500216 411057157 /nfs/dbraw/zinc/05/71/57/411057157.db2.gz DNRFUSMFKOMQHG-UHFFFAOYSA-N 1 1 308.382 1.208 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000331294351 411063129 /nfs/dbraw/zinc/06/31/29/411063129.db2.gz XZKWBZGIPPBQTD-GXFFZTMASA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000331294351 411063136 /nfs/dbraw/zinc/06/31/36/411063136.db2.gz XZKWBZGIPPBQTD-GXFFZTMASA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331426581 411084640 /nfs/dbraw/zinc/08/46/40/411084640.db2.gz VCCZXDJVSPJGCL-CYBMUJFWSA-N 1 1 303.362 1.799 20 5 DDBDMO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc([S@](C)=O)cc1 ZINC000360211954 411102271 /nfs/dbraw/zinc/10/22/71/411102271.db2.gz HJUCOAFYFVMDQZ-STFLBKPXSA-N 1 1 322.390 1.917 20 5 DDBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000295908390 225368059 /nfs/dbraw/zinc/36/80/59/225368059.db2.gz HJGRIXHMGOEQPN-ZDUSSCGKSA-N 1 1 309.366 1.503 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000373805514 418462018 /nfs/dbraw/zinc/46/20/18/418462018.db2.gz ODQZJDFEPCJMAA-ZIAGYGMSSA-N 1 1 310.354 1.061 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000373805514 418462021 /nfs/dbraw/zinc/46/20/21/418462021.db2.gz ODQZJDFEPCJMAA-ZIAGYGMSSA-N 1 1 310.354 1.061 20 5 DDBDMO Cc1[nH+]ccn1CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000049331475 418477211 /nfs/dbraw/zinc/47/72/11/418477211.db2.gz RTWZWHVDFXJJSO-UHFFFAOYSA-N 1 1 300.116 1.759 20 5 DDBDMO C[C@H]1CCOCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000374992223 418586501 /nfs/dbraw/zinc/58/65/01/418586501.db2.gz WLEHDDKDNVWDMB-GXTWGEPZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408071342 418785805 /nfs/dbraw/zinc/78/58/05/418785805.db2.gz JVBCXBDCTJSHJD-NSHDSACASA-N 1 1 307.350 1.597 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000371559687 418800865 /nfs/dbraw/zinc/80/08/65/418800865.db2.gz AHDIACKQTAIOBH-GWCFXTLKSA-N 1 1 304.350 1.343 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000371823804 418819580 /nfs/dbraw/zinc/81/95/80/418819580.db2.gz GZOVUGPXLORWER-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000371823804 418819582 /nfs/dbraw/zinc/81/95/82/418819582.db2.gz GZOVUGPXLORWER-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364881382 418820798 /nfs/dbraw/zinc/82/07/98/418820798.db2.gz ITZZAKIHOUBVNR-NSHDSACASA-N 1 1 308.294 1.024 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364881382 418820801 /nfs/dbraw/zinc/82/08/01/418820801.db2.gz ITZZAKIHOUBVNR-NSHDSACASA-N 1 1 308.294 1.024 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000364950385 418827181 /nfs/dbraw/zinc/82/71/81/418827181.db2.gz BYWCCIDOUXKKAL-MRVPVSSYSA-N 1 1 301.306 1.187 20 5 DDBDMO COc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000364954103 418828238 /nfs/dbraw/zinc/82/82/38/418828238.db2.gz JLGDKYDOJOHHQG-LBPRGKRZSA-N 1 1 309.366 1.496 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788094 418902302 /nfs/dbraw/zinc/90/23/02/418902302.db2.gz TXJCABZQDQUKNR-ABAIWWIYSA-N 1 1 321.381 1.614 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411763643 419399732 /nfs/dbraw/zinc/39/97/32/419399732.db2.gz ZLKOUKRSHVYGMB-UHFFFAOYSA-N 1 1 308.338 1.121 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420981701 419406392 /nfs/dbraw/zinc/40/63/92/419406392.db2.gz YTNUTBIKHYNLGA-BETUJISGSA-N 1 1 319.361 1.124 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421008006 419443700 /nfs/dbraw/zinc/44/37/00/419443700.db2.gz CXJLJVBUCSCBLY-ZDUSSCGKSA-N 1 1 309.366 1.241 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000426899510 419569528 /nfs/dbraw/zinc/56/95/28/419569528.db2.gz UXUFCCGJMVHLSB-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000412030463 419572270 /nfs/dbraw/zinc/57/22/70/419572270.db2.gz FLPOSEODXIRBNI-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000412030463 419572277 /nfs/dbraw/zinc/57/22/77/419572277.db2.gz FLPOSEODXIRBNI-RISCZKNCSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(N)=O ZINC000428855623 228764412 /nfs/dbraw/zinc/76/44/12/228764412.db2.gz HICHYZIFRZTDMR-MFKMUULPSA-N 1 1 317.349 1.076 20 5 DDBDMO O=C(CN1CC[NH+](C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000299318747 229047657 /nfs/dbraw/zinc/04/76/57/229047657.db2.gz HIJLBRALCACXGD-UHFFFAOYSA-N 1 1 304.350 1.313 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CNCCO3)o2)c1 ZINC000415095710 419941641 /nfs/dbraw/zinc/94/16/41/419941641.db2.gz NTDHKMWCJDVLEJ-HNNXBMFYSA-N 1 1 317.345 1.933 20 5 DDBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429794232 420049322 /nfs/dbraw/zinc/04/93/22/420049322.db2.gz WTQKGLWUFBGJIV-RISCZKNCSA-N 1 1 321.377 1.677 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415586728 420119353 /nfs/dbraw/zinc/11/93/53/420119353.db2.gz VVWBYSWLXVPHQU-UHFFFAOYSA-N 1 1 302.281 1.927 20 5 DDBDMO COc1ccc(OCC[NH2+][C@](C)(CN)C2CC2)c([N+](=O)[O-])c1 ZINC000430562469 420139454 /nfs/dbraw/zinc/13/94/54/420139454.db2.gz RMYGMIGXXZPZGK-OAHLLOKOSA-N 1 1 309.366 1.699 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775382 420254002 /nfs/dbraw/zinc/25/40/02/420254002.db2.gz QUPDZYUWPHOVHM-NSHDSACASA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775382 420254004 /nfs/dbraw/zinc/25/40/04/420254004.db2.gz QUPDZYUWPHOVHM-NSHDSACASA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000433775382 420254008 /nfs/dbraw/zinc/25/40/08/420254008.db2.gz QUPDZYUWPHOVHM-NSHDSACASA-N 1 1 321.381 1.750 20 5 DDBDMO CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C[NH3+])C1CC1 ZINC000423949472 420280192 /nfs/dbraw/zinc/28/01/92/420280192.db2.gz MVHGOFHWGJPDBL-GFCCVEGCSA-N 1 1 303.322 1.280 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000416304218 420321519 /nfs/dbraw/zinc/32/15/19/420321519.db2.gz YRTXKVJVWFEWJT-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000416304218 420321523 /nfs/dbraw/zinc/32/15/23/420321523.db2.gz YRTXKVJVWFEWJT-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303860 420321971 /nfs/dbraw/zinc/32/19/71/420321971.db2.gz HMXGOVLBYDOHJA-QWHCGFSZSA-N 1 1 321.377 1.051 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)nc2c1 ZINC000425555122 420417982 /nfs/dbraw/zinc/41/79/82/420417982.db2.gz XKISTDSHLXGQEI-VIFPVBQESA-N 1 1 313.321 1.579 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](c4nnc[nH]4)C3)nc2c1 ZINC000425555122 420417984 /nfs/dbraw/zinc/41/79/84/420417984.db2.gz XKISTDSHLXGQEI-VIFPVBQESA-N 1 1 313.321 1.579 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450959792 420570686 /nfs/dbraw/zinc/57/06/86/420570686.db2.gz YXXGDUTWKVTWHG-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450959792 420570690 /nfs/dbraw/zinc/57/06/90/420570690.db2.gz YXXGDUTWKVTWHG-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000442132919 420671895 /nfs/dbraw/zinc/67/18/95/420671895.db2.gz QKSDANHFBDIYED-JQWIXIFHSA-N 1 1 320.349 1.132 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459657317 420841688 /nfs/dbraw/zinc/84/16/88/420841688.db2.gz FQDQOCPPLVNBHD-UONOGXRCSA-N 1 1 319.361 1.257 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459682949 420845293 /nfs/dbraw/zinc/84/52/93/420845293.db2.gz FJPRSIVYNTUKFQ-OCCSQVGLSA-N 1 1 310.350 1.167 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459682949 420845298 /nfs/dbraw/zinc/84/52/98/420845298.db2.gz FJPRSIVYNTUKFQ-OCCSQVGLSA-N 1 1 310.350 1.167 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000454924945 420944280 /nfs/dbraw/zinc/94/42/80/420944280.db2.gz LFYJYRSMSLIPJO-JTQLQIEISA-N 1 1 307.354 1.103 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489268547 421142906 /nfs/dbraw/zinc/14/29/06/421142906.db2.gz MSPKXGAXGXGEQD-INIZCTEOSA-N 1 1 319.361 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000489268547 421142909 /nfs/dbraw/zinc/14/29/09/421142909.db2.gz MSPKXGAXGXGEQD-INIZCTEOSA-N 1 1 319.361 1.689 20 5 DDBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCOC1 ZINC000490051797 421187016 /nfs/dbraw/zinc/18/70/16/421187016.db2.gz XEBJUUDGEGTODD-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCOC1 ZINC000490051797 421187018 /nfs/dbraw/zinc/18/70/18/421187018.db2.gz XEBJUUDGEGTODD-ZDUSSCGKSA-N 1 1 310.350 1.841 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC000450609718 421217011 /nfs/dbraw/zinc/21/70/11/421217011.db2.gz FZSZMAYFWBSXJI-CYBMUJFWSA-N 1 1 308.382 1.865 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000525803885 421303683 /nfs/dbraw/zinc/30/36/83/421303683.db2.gz XYXAXFMQIPQLIY-JTQLQIEISA-N 1 1 309.370 1.342 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000516382877 421542609 /nfs/dbraw/zinc/54/26/09/421542609.db2.gz MXEAFSRGTQFWER-GFCCVEGCSA-N 1 1 308.382 1.928 20 5 DDBDMO CN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000571225099 421698674 /nfs/dbraw/zinc/69/86/74/421698674.db2.gz SQHQITDMTLNZJF-INIZCTEOSA-N 1 1 318.421 1.809 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000556321753 421709036 /nfs/dbraw/zinc/70/90/36/421709036.db2.gz HARCNJZARQDTRO-UMNHJUIQSA-N 1 1 307.354 1.120 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000559368080 421833769 /nfs/dbraw/zinc/83/37/69/421833769.db2.gz VCGRNVOGNFSVKU-TXEJJXNPSA-N 1 1 323.397 1.806 20 5 DDBDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572422983 421786758 /nfs/dbraw/zinc/78/67/58/421786758.db2.gz NYKVOLPWCDIQIX-CJNGLKHVSA-N 1 1 318.421 1.808 20 5 DDBDMO CC(C)Oc1nc(N[C@H]2CCc3c[nH+]cn3C2)ccc1[N+](=O)[O-] ZINC000594581378 422349236 /nfs/dbraw/zinc/34/92/36/422349236.db2.gz QTGZWQQDTVOWMG-NSHDSACASA-N 1 1 317.349 2.400 20 5 DDBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 ZINC000597710152 422389715 /nfs/dbraw/zinc/38/97/15/422389715.db2.gz IJXUXVJQJFKMKS-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275333421 274271233 /nfs/dbraw/zinc/27/12/33/274271233.db2.gz GKGNAUPGRWGQCN-GHMZBOCLSA-N 1 1 324.337 1.394 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275333421 274271238 /nfs/dbraw/zinc/27/12/38/274271238.db2.gz GKGNAUPGRWGQCN-GHMZBOCLSA-N 1 1 324.337 1.394 20 5 DDBDMO Cc1nc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286175878 274843234 /nfs/dbraw/zinc/84/32/34/274843234.db2.gz ADLRXUBZKVNDQH-DGCLKSJQSA-N 1 1 306.366 1.598 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CCCO)CC1 ZINC000276542956 275034456 /nfs/dbraw/zinc/03/44/56/275034456.db2.gz DLDAENYBHYLCMA-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133614716 277084568 /nfs/dbraw/zinc/08/45/68/277084568.db2.gz SOPMXKQHYALAQB-STQMWFEESA-N 1 1 318.377 1.614 20 5 DDBDMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000285826301 277152609 /nfs/dbraw/zinc/15/26/09/277152609.db2.gz PDGPJDBCRMDJGP-UWVGGRQHSA-N 1 1 311.363 1.201 20 5 DDBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000285826301 277152610 /nfs/dbraw/zinc/15/26/10/277152610.db2.gz PDGPJDBCRMDJGP-UWVGGRQHSA-N 1 1 311.363 1.201 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[N@@H+](C)C1CC1 ZINC000186758734 279237319 /nfs/dbraw/zinc/23/73/19/279237319.db2.gz FVECSPLNBAMNCT-GFCCVEGCSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCCCN2CC[NH+](C)CC2)n1 ZINC000121247661 281135032 /nfs/dbraw/zinc/13/50/32/281135032.db2.gz BKQUGGNEHQNUNB-UHFFFAOYSA-N 1 1 307.398 1.738 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362079097 300002186 /nfs/dbraw/zinc/00/21/86/300002186.db2.gz SVIYDAWWXKFAQT-RYUDHWBXSA-N 1 1 307.350 1.402 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362079097 300002187 /nfs/dbraw/zinc/00/21/87/300002187.db2.gz SVIYDAWWXKFAQT-RYUDHWBXSA-N 1 1 307.350 1.402 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000362434294 300062074 /nfs/dbraw/zinc/06/20/74/300062074.db2.gz RMBWJUHRUCVAFZ-NSHDSACASA-N 1 1 301.306 1.234 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000362434294 300062075 /nfs/dbraw/zinc/06/20/75/300062075.db2.gz RMBWJUHRUCVAFZ-NSHDSACASA-N 1 1 301.306 1.234 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCOCC1 ZINC000363379584 300260267 /nfs/dbraw/zinc/26/02/67/300260267.db2.gz SQCQMPWRLQTTOL-UHFFFAOYSA-N 1 1 323.349 1.654 20 5 DDBDMO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000363616939 300288259 /nfs/dbraw/zinc/28/82/59/300288259.db2.gz YRKJPJBDRCESJV-GJZGRUSLSA-N 1 1 321.352 1.572 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692486 300297046 /nfs/dbraw/zinc/29/70/46/300297046.db2.gz MRNJLXFDICYABA-VHSXEESVSA-N 1 1 311.363 1.249 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363877258 300320345 /nfs/dbraw/zinc/32/03/45/300320345.db2.gz UGILMMBVZONAEV-WHOFXGATSA-N 1 1 316.361 1.546 20 5 DDBDMO O=C1NCCCC[C@@H]1[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012313 301119136 /nfs/dbraw/zinc/11/91/36/301119136.db2.gz UWTKDQWGXVZDII-YPMHNXCESA-N 1 1 307.354 1.097 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000369998240 301254733 /nfs/dbraw/zinc/25/47/33/301254733.db2.gz QRCPFOHZFWNPPX-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369998240 301254735 /nfs/dbraw/zinc/25/47/35/301254735.db2.gz QRCPFOHZFWNPPX-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000369998240 301254737 /nfs/dbraw/zinc/25/47/37/301254737.db2.gz QRCPFOHZFWNPPX-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000375869463 302007719 /nfs/dbraw/zinc/00/77/19/302007719.db2.gz AGBULJABLODGJF-STQMWFEESA-N 1 1 307.398 1.777 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377362861 302173075 /nfs/dbraw/zinc/17/30/75/302173075.db2.gz QSSHTEFZDMSRPO-VHSXEESVSA-N 1 1 305.338 1.127 20 5 DDBDMO COC(C)(C)C[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533481671 303319455 /nfs/dbraw/zinc/31/94/55/303319455.db2.gz WUKVPDDNCYSQLM-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO COC(C)(C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533481671 303319456 /nfs/dbraw/zinc/31/94/56/303319456.db2.gz WUKVPDDNCYSQLM-UHFFFAOYSA-N 1 1 321.377 1.841 20 5 DDBDMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000364485932 307046429 /nfs/dbraw/zinc/04/64/29/307046429.db2.gz SKMBJLXENRHXNE-KKUMJFAQSA-N 1 1 309.410 1.622 20 5 DDBDMO CSC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372294466 307167819 /nfs/dbraw/zinc/16/78/19/307167819.db2.gz JNMAYJPFDUZMTI-JQWIXIFHSA-N 1 1 300.384 1.152 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000373310102 307184279 /nfs/dbraw/zinc/18/42/79/307184279.db2.gz JPASZUPFUCVUKO-UHFFFAOYSA-N 1 1 316.321 1.546 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920460 307233163 /nfs/dbraw/zinc/23/31/63/307233163.db2.gz NRMMBEIURUTKPK-DYEKYZERSA-N 1 1 310.354 1.060 20 5 DDBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000375920460 307233164 /nfs/dbraw/zinc/23/31/64/307233164.db2.gz NRMMBEIURUTKPK-DYEKYZERSA-N 1 1 310.354 1.060 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000378510919 307290906 /nfs/dbraw/zinc/29/09/06/307290906.db2.gz JLIYIXYSOUMNIW-UHFFFAOYSA-N 1 1 318.377 1.877 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000569987101 308155361 /nfs/dbraw/zinc/15/53/61/308155361.db2.gz PMOAIIDHHQPIDY-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000569987101 308155362 /nfs/dbraw/zinc/15/53/62/308155362.db2.gz PMOAIIDHHQPIDY-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000570118843 308159547 /nfs/dbraw/zinc/15/95/47/308159547.db2.gz YWHNPMKLKOUCEF-HIFRSBDPSA-N 1 1 317.349 1.037 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000573968119 308257349 /nfs/dbraw/zinc/25/73/49/308257349.db2.gz GMLBVFAIRYRGCM-HNNXBMFYSA-N 1 1 321.381 1.486 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000574128206 308261891 /nfs/dbraw/zinc/26/18/91/308261891.db2.gz NLUKLTPAPUWNDR-UHFFFAOYSA-N 1 1 321.381 1.399 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000574228351 308266020 /nfs/dbraw/zinc/26/60/20/308266020.db2.gz ZBXWQMNEJKGHPQ-SWLSCSKDSA-N 1 1 324.377 1.557 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000574228351 308266021 /nfs/dbraw/zinc/26/60/21/308266021.db2.gz ZBXWQMNEJKGHPQ-SWLSCSKDSA-N 1 1 324.377 1.557 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1C ZINC000487986705 484212848 /nfs/dbraw/zinc/21/28/48/484212848.db2.gz JZFOEXLZWYEGIN-HIFRSBDPSA-N 1 1 323.393 1.894 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1C ZINC000487986707 484212997 /nfs/dbraw/zinc/21/29/97/484212997.db2.gz JZFOEXLZWYEGIN-ZFWWWQNUSA-N 1 1 323.393 1.894 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727964 484215512 /nfs/dbraw/zinc/21/55/12/484215512.db2.gz WZZVIZLGSRHLMJ-YPMHNXCESA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875163 490372424 /nfs/dbraw/zinc/37/24/24/490372424.db2.gz PWFBSUPWRHBQGQ-WWGRRREGSA-N 1 1 324.377 1.285 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000451637233 534338653 /nfs/dbraw/zinc/33/86/53/534338653.db2.gz XEMRYOZYPMUDKE-DOMZBBRYSA-N 1 1 318.377 1.478 20 5 DDBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NC1CCCC1 ZINC000331694822 534417533 /nfs/dbraw/zinc/41/75/33/534417533.db2.gz VZOLBIBKUOPVSP-UHFFFAOYSA-N 1 1 318.377 1.797 20 5 DDBDMO O=C(NCC[C@H]1CCC[NH2+]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000444268521 534427500 /nfs/dbraw/zinc/42/75/00/534427500.db2.gz RKELPCDSHPLVPW-SECBINFHSA-N 1 1 303.322 1.343 20 5 DDBDMO CC(C)(C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000295687089 527226980 /nfs/dbraw/zinc/22/69/80/527226980.db2.gz SHXVCKGNDHYREL-LBPRGKRZSA-N 1 1 323.397 1.405 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451933574 527785587 /nfs/dbraw/zinc/78/55/87/527785587.db2.gz FJWMSBSASUZPAI-ZIAGYGMSSA-N 1 1 323.349 1.235 20 5 DDBDMO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451938522 527789772 /nfs/dbraw/zinc/78/97/72/527789772.db2.gz OEUMTEMZJQTHOG-ZLKJLUDKSA-N 1 1 323.349 1.315 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000330832853 527827481 /nfs/dbraw/zinc/82/74/81/527827481.db2.gz VKJCIBVOVSVOEE-GWCFXTLKSA-N 1 1 321.381 1.374 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451546094 528062294 /nfs/dbraw/zinc/06/22/94/528062294.db2.gz RUWREUVSSJMUOK-NHYWBVRUSA-N 1 1 321.377 1.941 20 5 DDBDMO C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+](C)C1CC1 ZINC000736025457 598522897 /nfs/dbraw/zinc/52/28/97/598522897.db2.gz GXOQJEUSYRABMZ-SECBINFHSA-N 1 1 317.353 1.670 20 5 DDBDMO CCOCC[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092885242 696597853 /nfs/dbraw/zinc/59/78/53/696597853.db2.gz KPLXYMFGNCBMFO-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO CCOCC[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092885242 696597854 /nfs/dbraw/zinc/59/78/54/696597854.db2.gz KPLXYMFGNCBMFO-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000108461806 696634064 /nfs/dbraw/zinc/63/40/64/696634064.db2.gz RPAABVKNVLBBKM-NSHDSACASA-N 1 1 306.366 1.557 20 5 DDBDMO O=[N+]([O-])c1cnn(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000157987746 696984944 /nfs/dbraw/zinc/98/49/44/696984944.db2.gz OVAIUKVHOSXOKK-IUODEOHRSA-N 1 1 305.382 1.698 20 5 DDBDMO COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816053 700136364 /nfs/dbraw/zinc/13/63/64/700136364.db2.gz CKOORCXASLVZPM-QJGQKNTRSA-N 1 1 320.349 1.595 20 5 DDBDMO COC(=O)/C(C)=C\C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000748816053 700136365 /nfs/dbraw/zinc/13/63/65/700136365.db2.gz CKOORCXASLVZPM-QJGQKNTRSA-N 1 1 320.349 1.595 20 5 DDBDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000749413523 700163120 /nfs/dbraw/zinc/16/31/20/700163120.db2.gz MIANDDXFRXGKTM-JTQLQIEISA-N 1 1 306.366 1.557 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000776585044 698122117 /nfs/dbraw/zinc/12/21/17/698122117.db2.gz RQPJJGMQMHEHPO-GJZGRUSLSA-N 1 1 310.350 1.102 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778260573 698254753 /nfs/dbraw/zinc/25/47/53/698254753.db2.gz BKJBHQJUPKBTCL-VIFPVBQESA-N 1 1 321.362 1.424 20 5 DDBDMO O=[N+]([O-])c1ccnn1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246411953 698349279 /nfs/dbraw/zinc/34/92/79/698349279.db2.gz QSWSDVLYGBYIRR-GXTWGEPZSA-N 1 1 305.382 1.698 20 5 DDBDMO Cc1nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000247045956 698360203 /nfs/dbraw/zinc/36/02/03/698360203.db2.gz MZAGRNWYCZOTBP-KBPBESRZSA-N 1 1 307.398 1.782 20 5 DDBDMO Cn1ccnc1[C@H](N[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764751 698558305 /nfs/dbraw/zinc/55/83/05/698558305.db2.gz PVXHBMAJFBIZAR-UKRRQHHQSA-N 1 1 315.377 1.711 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731455909 699529176 /nfs/dbraw/zinc/52/91/76/699529176.db2.gz XGRXQMVBAAUZTA-GXTWGEPZSA-N 1 1 323.324 1.327 20 5 DDBDMO COc1cccc(OC)c1OC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791051975 699609010 /nfs/dbraw/zinc/60/90/10/699609010.db2.gz IZRHIHLYQOVGSU-UHFFFAOYSA-N 1 1 310.350 1.824 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791255962 699617862 /nfs/dbraw/zinc/61/78/62/699617862.db2.gz AWMIERYDCUSQTN-OCCSQVGLSA-N 1 1 322.340 1.435 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000742200598 699866946 /nfs/dbraw/zinc/86/69/46/699866946.db2.gz ZLJSMXICGUYTES-NSHDSACASA-N 1 1 306.366 1.437 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@H+]1C ZINC000742200598 699866949 /nfs/dbraw/zinc/86/69/49/699866949.db2.gz ZLJSMXICGUYTES-NSHDSACASA-N 1 1 306.366 1.437 20 5 DDBDMO COc1c(C(=O)OCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000796308983 699925378 /nfs/dbraw/zinc/92/53/78/699925378.db2.gz MCVNBJVDTVCPIE-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801939521 700358452 /nfs/dbraw/zinc/35/84/52/700358452.db2.gz FNPHLGVIWLEHOA-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801939521 700358456 /nfs/dbraw/zinc/35/84/56/700358456.db2.gz FNPHLGVIWLEHOA-DTWKUNHWSA-N 1 1 310.329 1.481 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762207903 700885117 /nfs/dbraw/zinc/88/51/17/700885117.db2.gz UUEZUKMKHBOGRZ-UHFFFAOYSA-N 1 1 303.322 1.740 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CCCCO)CC1 ZINC000804501868 701196383 /nfs/dbraw/zinc/19/63/83/701196383.db2.gz GESBEWQJFOXXJV-UHFFFAOYSA-N 1 1 324.337 1.398 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140404 701234023 /nfs/dbraw/zinc/23/40/23/701234023.db2.gz OJBJWARMTSCCDH-QWRGUYRKSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000769140404 701234025 /nfs/dbraw/zinc/23/40/25/701234025.db2.gz OJBJWARMTSCCDH-QWRGUYRKSA-N 1 1 306.366 1.650 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000769145161 701234423 /nfs/dbraw/zinc/23/44/23/701234423.db2.gz MHXOFCYHURQUEJ-RYUDHWBXSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000769145161 701234424 /nfs/dbraw/zinc/23/44/24/701234424.db2.gz MHXOFCYHURQUEJ-RYUDHWBXSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000866073870 706611283 /nfs/dbraw/zinc/61/12/83/706611283.db2.gz UVXIRYYAJSZOAI-CMPLNLGQSA-N 1 1 309.341 1.875 20 5 DDBDMO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+](C)C ZINC000839761216 701814800 /nfs/dbraw/zinc/81/48/00/701814800.db2.gz LYPMYJQNMIXRSA-NGFQHRJXSA-N 1 1 305.378 1.768 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1CC[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000867956014 701853069 /nfs/dbraw/zinc/85/30/69/701853069.db2.gz JRGPGFAYQNYDMO-HZPDHXFCSA-N 1 1 319.361 1.408 20 5 DDBDMO C[C@@H]1OCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000867970148 701862673 /nfs/dbraw/zinc/86/26/73/701862673.db2.gz WWQQIXYKRLNUPJ-ZIBATOQPSA-N 1 1 307.350 1.405 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000840356959 702082367 /nfs/dbraw/zinc/08/23/67/702082367.db2.gz FYUZBVVAFBEBKB-UHFFFAOYSA-N 1 1 323.393 1.687 20 5 DDBDMO Cc1c(CC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000812344177 702166878 /nfs/dbraw/zinc/16/68/78/702166878.db2.gz PVHAUXYQTVKAOE-CABCVRRESA-N 1 1 317.389 1.856 20 5 DDBDMO CNC(=O)c1ccc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205424 706647852 /nfs/dbraw/zinc/64/78/52/706647852.db2.gz LULDMJKBSFQFIX-CHWSQXEVSA-N 1 1 318.377 1.485 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000866209055 706649242 /nfs/dbraw/zinc/64/92/42/706649242.db2.gz PBMVOPDXBBHGPZ-JQWIXIFHSA-N 1 1 320.349 1.307 20 5 DDBDMO Cc1cc(F)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000816953612 702237968 /nfs/dbraw/zinc/23/79/68/702237968.db2.gz KJWUOKUPMYUVMQ-MFKMUULPSA-N 1 1 307.325 1.818 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000812860298 702252655 /nfs/dbraw/zinc/25/26/55/702252655.db2.gz XPGYTMJWWFGZPB-DGCLKSJQSA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000812860298 702252659 /nfs/dbraw/zinc/25/26/59/702252659.db2.gz XPGYTMJWWFGZPB-DGCLKSJQSA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000812860299 702253248 /nfs/dbraw/zinc/25/32/48/702253248.db2.gz XPGYTMJWWFGZPB-WCQYABFASA-N 1 1 316.304 1.578 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000812860299 702253254 /nfs/dbraw/zinc/25/32/54/702253254.db2.gz XPGYTMJWWFGZPB-WCQYABFASA-N 1 1 316.304 1.578 20 5 DDBDMO N[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841051027 702325824 /nfs/dbraw/zinc/32/58/24/702325824.db2.gz MSWDPBVLYZDAEM-MRXNPFEDSA-N 1 1 304.394 1.891 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000842832239 702781415 /nfs/dbraw/zinc/78/14/15/702781415.db2.gz BLMGPPDXEBVNHH-LBPRGKRZSA-N 1 1 310.354 1.455 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCOCC1 ZINC000843969267 702947575 /nfs/dbraw/zinc/94/75/75/702947575.db2.gz ZVDKBJXJJJCVEN-UHFFFAOYSA-N 1 1 308.338 1.297 20 5 DDBDMO CC1(C)C[C@@H](O)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879614943 706738842 /nfs/dbraw/zinc/73/88/42/706738842.db2.gz CKUFJPJTQLUXPA-ZIAGYGMSSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)[N@@H+]1CCO ZINC000831805358 706784156 /nfs/dbraw/zinc/78/41/56/706784156.db2.gz VFQIZBQVCLSECG-TXEJJXNPSA-N 1 1 311.357 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852500765 704064039 /nfs/dbraw/zinc/06/40/39/704064039.db2.gz DKDYKZIVGDFEFH-HOTGVXAUSA-N 1 1 306.362 1.865 20 5 DDBDMO CCOC[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870897301 704161273 /nfs/dbraw/zinc/16/12/73/704161273.db2.gz BGUMDMIEIRNJSI-MLGOLLRUSA-N 1 1 321.377 1.654 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870928108 704172281 /nfs/dbraw/zinc/17/22/81/704172281.db2.gz DXGVAHGXBNLCKV-MRXNPFEDSA-N 1 1 320.393 1.321 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCC1(C)C ZINC000871155840 704232994 /nfs/dbraw/zinc/23/29/94/704232994.db2.gz FBVKVOWZHHORTM-UHFFFAOYSA-N 1 1 306.366 1.733 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000820272087 704250371 /nfs/dbraw/zinc/25/03/71/704250371.db2.gz JGIOFBOYOXQOLY-XZDPQHSOSA-N 1 1 315.373 1.861 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821329052 704391827 /nfs/dbraw/zinc/39/18/27/704391827.db2.gz UORKZCKIBIBKOJ-GASCZTMLSA-N 1 1 303.362 1.547 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000874837367 705194219 /nfs/dbraw/zinc/19/42/19/705194219.db2.gz IGUMGLORBWHUKB-STQMWFEESA-N 1 1 321.381 1.222 20 5 DDBDMO CNc1ccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848396 705202409 /nfs/dbraw/zinc/20/24/09/705202409.db2.gz SGBVGBZXBBYDNV-UONOGXRCSA-N 1 1 318.377 1.945 20 5 DDBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823985929 705349740 /nfs/dbraw/zinc/34/97/40/705349740.db2.gz FGIWWIRHWPWGDE-LLVKDONJSA-N 1 1 321.381 1.983 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000826632483 705829680 /nfs/dbraw/zinc/82/96/80/705829680.db2.gz GXUMUOZLXJTCMT-PHIMTYICSA-N 1 1 312.345 1.674 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000826632483 705829684 /nfs/dbraw/zinc/82/96/84/705829684.db2.gz GXUMUOZLXJTCMT-PHIMTYICSA-N 1 1 312.345 1.674 20 5 DDBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)n1C ZINC000827471622 706009271 /nfs/dbraw/zinc/00/92/71/706009271.db2.gz RNMNKRZIJRDWCJ-UHFFFAOYSA-N 1 1 321.312 1.463 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877652129 706170630 /nfs/dbraw/zinc/17/06/30/706170630.db2.gz BFVNYHDZINXWDY-MRXNPFEDSA-N 1 1 322.361 1.976 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865608592 706476458 /nfs/dbraw/zinc/47/64/58/706476458.db2.gz LLRKTLWETGJQLA-LLVKDONJSA-N 1 1 309.341 1.734 20 5 DDBDMO Cn1c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cnc1Cl ZINC000865702901 706500233 /nfs/dbraw/zinc/50/02/33/706500233.db2.gz HYSZEXJKDYUOOS-AWEZNQCLSA-N 1 1 324.768 1.979 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865998869 706589791 /nfs/dbraw/zinc/58/97/91/706589791.db2.gz UJFFMCYVQUFREG-ZDUSSCGKSA-N 1 1 323.393 1.998 20 5 DDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H](C(F)(F)F)O1 ZINC000880056156 706865727 /nfs/dbraw/zinc/86/57/27/706865727.db2.gz CAELRYGIQQLFMN-VHSXEESVSA-N 1 1 322.287 1.833 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H](C(F)(F)F)O1 ZINC000880056156 706865729 /nfs/dbraw/zinc/86/57/29/706865729.db2.gz CAELRYGIQQLFMN-VHSXEESVSA-N 1 1 322.287 1.833 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134028 706886262 /nfs/dbraw/zinc/88/62/62/706886262.db2.gz LIXPZBIFJYGJHD-KBPBESRZSA-N 1 1 318.377 1.362 20 5 DDBDMO O=C1[C@H]([N@H+]2CC[C@H](CF)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880296667 706932030 /nfs/dbraw/zinc/93/20/30/706932030.db2.gz FSVYVZSPYRBSOS-BXUZGUMPSA-N 1 1 307.325 1.992 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432290 706973748 /nfs/dbraw/zinc/97/37/48/706973748.db2.gz NAQPICPLXRZSMY-ZIAGYGMSSA-N 1 1 320.349 1.707 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880432290 706973749 /nfs/dbraw/zinc/97/37/49/706973749.db2.gz NAQPICPLXRZSMY-ZIAGYGMSSA-N 1 1 320.349 1.707 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)cc1NC[C@]1(CO)COCC[NH2+]1 ZINC000882730913 707764327 /nfs/dbraw/zinc/76/43/27/707764327.db2.gz PVZYUWMJNHMUQN-LBPRGKRZSA-N 1 1 301.730 1.011 20 5 DDBDMO COc1cccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222344 708259697 /nfs/dbraw/zinc/25/96/97/708259697.db2.gz UQGGXSVURIMMGA-STQMWFEESA-N 1 1 321.377 1.639 20 5 DDBDMO Cn1cc(COC(=O)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])n1 ZINC000884504575 708318071 /nfs/dbraw/zinc/31/80/71/708318071.db2.gz LYAZYUVNFSVZON-LBPRGKRZSA-N 1 1 310.354 1.636 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC000886631177 708798963 /nfs/dbraw/zinc/79/89/63/708798963.db2.gz FWGGFDQSAGZJHH-BZUAXINKSA-N 1 1 306.362 1.865 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1 ZINC000886631260 708799036 /nfs/dbraw/zinc/79/90/36/708799036.db2.gz IITUCMKALCKUFG-ARFHVFGLSA-N 1 1 306.362 1.865 20 5 DDBDMO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887930362 709168414 /nfs/dbraw/zinc/16/84/14/709168414.db2.gz FHJSIRSMHYKDMD-ABAIWWIYSA-N 1 1 305.334 1.324 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887930362 709168417 /nfs/dbraw/zinc/16/84/17/709168417.db2.gz FHJSIRSMHYKDMD-ABAIWWIYSA-N 1 1 305.334 1.324 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910288547 709868876 /nfs/dbraw/zinc/86/88/76/709868876.db2.gz WUEOVJAKWNMZIH-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCOC(=O)c2ccc([N+](=O)[O-])n2C)CCO1 ZINC000893392419 710633823 /nfs/dbraw/zinc/63/38/23/710633823.db2.gz RULUGCJNNJPIOM-LLVKDONJSA-N 1 1 311.338 1.201 20 5 DDBDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000902635602 710830831 /nfs/dbraw/zinc/83/08/31/710830831.db2.gz AWYHMDWWNQMIRW-STQMWFEESA-N 1 1 305.338 1.715 20 5 DDBDMO CC(C)Oc1nc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893933534 710891597 /nfs/dbraw/zinc/89/15/97/710891597.db2.gz AQNYLQMMVITDOE-YPMHNXCESA-N 1 1 306.366 1.917 20 5 DDBDMO Cc1c(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000894395851 711102161 /nfs/dbraw/zinc/10/21/61/711102161.db2.gz BZEASVCPSMRHBF-ZFWWWQNUSA-N 1 1 318.377 1.749 20 5 DDBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000928564872 713230124 /nfs/dbraw/zinc/23/01/24/713230124.db2.gz GFFVDLSLQCFZRW-ZDUSSCGKSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000928564872 713230126 /nfs/dbraw/zinc/23/01/26/713230126.db2.gz GFFVDLSLQCFZRW-ZDUSSCGKSA-N 1 1 315.333 1.214 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328400 711485682 /nfs/dbraw/zinc/48/56/82/711485682.db2.gz FZUADFQDTPVDTO-MFKMUULPSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895328400 711485684 /nfs/dbraw/zinc/48/56/84/711485684.db2.gz FZUADFQDTPVDTO-MFKMUULPSA-N 1 1 300.742 1.566 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895570474 711545801 /nfs/dbraw/zinc/54/58/01/711545801.db2.gz UMDURPGDSTZAHN-NWDGAFQWSA-N 1 1 324.406 1.990 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895570474 711545802 /nfs/dbraw/zinc/54/58/02/711545802.db2.gz UMDURPGDSTZAHN-NWDGAFQWSA-N 1 1 324.406 1.990 20 5 DDBDMO CCOC(=O)c1ccnc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895739037 711591822 /nfs/dbraw/zinc/59/18/22/711591822.db2.gz AMOJNYWTCWUWIP-GXSJLCMTSA-N 1 1 308.338 1.671 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000914290940 713371543 /nfs/dbraw/zinc/37/15/43/713371543.db2.gz FIQKQXVWVFYDJR-GXFFZTMASA-N 1 1 322.365 1.495 20 5 DDBDMO C[N@H+]1CCC[C@@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000917686709 713509865 /nfs/dbraw/zinc/50/98/65/713509865.db2.gz XYXGWVNKDKWWGC-GFCCVEGCSA-N 1 1 304.306 1.506 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO[C@H]3CCOC3)CC2)cc1 ZINC000929154075 713557989 /nfs/dbraw/zinc/55/79/89/713557989.db2.gz HKAKXMFCQUTPCK-INIZCTEOSA-N 1 1 321.377 1.522 20 5 DDBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@H+](CC[N+](=O)[O-])C[C@]2(C)C1 ZINC000931328624 714068750 /nfs/dbraw/zinc/06/87/50/714068750.db2.gz DZRNQUHZHLVIBQ-GASCZTMLSA-N 1 1 313.398 1.842 20 5 DDBDMO CC(C)(C)OC(=O)N1C[C@]2(C)C[N@@H+](CC[N+](=O)[O-])C[C@]2(C)C1 ZINC000931328624 714068751 /nfs/dbraw/zinc/06/87/51/714068751.db2.gz DZRNQUHZHLVIBQ-GASCZTMLSA-N 1 1 313.398 1.842 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931664232 714154533 /nfs/dbraw/zinc/15/45/33/714154533.db2.gz YJHPXQNTGVOOHD-AWEZNQCLSA-N 1 1 321.377 1.996 20 5 DDBDMO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932105415 714260249 /nfs/dbraw/zinc/26/02/49/714260249.db2.gz UXICHFLJEWKUET-UXIGCNINSA-N 1 1 322.361 1.759 20 5 DDBDMO CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644235 714373376 /nfs/dbraw/zinc/37/33/76/714373376.db2.gz HKPUXNHGSIEVEU-JSGCOSHPSA-N 1 1 308.334 1.513 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOc3ccccc3[C@H]2CO)n1 ZINC000933383086 714577230 /nfs/dbraw/zinc/57/72/30/714577230.db2.gz KXQQAEPZBFQNCN-CYBMUJFWSA-N 1 1 318.333 1.219 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOc3ccccc3[C@H]2CO)n1 ZINC000933383086 714577232 /nfs/dbraw/zinc/57/72/32/714577232.db2.gz KXQQAEPZBFQNCN-CYBMUJFWSA-N 1 1 318.333 1.219 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCC(=O)NC ZINC000933867845 714687517 /nfs/dbraw/zinc/68/75/17/714687517.db2.gz QACITXCCNZJWSF-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122783 714748812 /nfs/dbraw/zinc/74/88/12/714748812.db2.gz WOIFGXQCGSYYQT-KGLIPLIRSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000934122783 714748815 /nfs/dbraw/zinc/74/88/15/714748815.db2.gz WOIFGXQCGSYYQT-KGLIPLIRSA-N 1 1 307.350 1.951 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000935779421 715127940 /nfs/dbraw/zinc/12/79/40/715127940.db2.gz YISRWQHOACKXLS-GFCCVEGCSA-N 1 1 309.370 1.042 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CCC2CCCC2)C1 ZINC000950056147 720469823 /nfs/dbraw/zinc/46/98/23/720469823.db2.gz UVQLXNINQWBDHW-HUUCEWRRSA-N 1 1 309.410 1.765 20 5 DDBDMO O=C(NCC[NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932243 742776643 /nfs/dbraw/zinc/77/66/43/742776643.db2.gz OAEHJTJOXAYHSP-BXKDBHETSA-N 1 1 315.732 1.350 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)CC(F)F)nc2c1 ZINC001180865675 742971065 /nfs/dbraw/zinc/97/10/65/742971065.db2.gz QVDGKBNVEDPOBZ-SSDOTTSWSA-N 1 1 301.249 1.842 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134270 743705418 /nfs/dbraw/zinc/70/54/18/743705418.db2.gz GUQDOYDNBAQSQB-AAEUAGOBSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134270 743705421 /nfs/dbraw/zinc/70/54/21/743705421.db2.gz GUQDOYDNBAQSQB-AAEUAGOBSA-N 1 1 300.742 1.566 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001184364203 744020051 /nfs/dbraw/zinc/02/00/51/744020051.db2.gz OOJSGTIPHGIZPV-HUTFFOLGSA-N 1 1 320.389 1.921 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001186881358 744458371 /nfs/dbraw/zinc/45/83/71/744458371.db2.gz NZKVDOUEJNUZSI-LLVKDONJSA-N 1 1 309.370 1.018 20 5 DDBDMO C[C@@H](O)[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723998 746449771 /nfs/dbraw/zinc/44/97/71/746449771.db2.gz PKXDHVRPLYZCIT-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO CCNC(=O)CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169039941 762193429 /nfs/dbraw/zinc/19/34/29/762193429.db2.gz WAXJDACLXJLFCZ-MGPQQGTHSA-N 1 1 313.398 1.049 20 5 DDBDMO COc1cc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)ccn1 ZINC001169056365 762211241 /nfs/dbraw/zinc/21/12/41/762211241.db2.gz SLESEXBMHIKDRB-GZBFAFLISA-N 1 1 321.377 1.989 20 5 DDBDMO C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000828725192 759755835 /nfs/dbraw/zinc/75/58/35/759755835.db2.gz RHRHIORXCJIEBH-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO C[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000828725192 759755839 /nfs/dbraw/zinc/75/58/39/759755839.db2.gz RHRHIORXCJIEBH-NSHDSACASA-N 1 1 302.334 1.256 20 5 DDBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138976 760613137 /nfs/dbraw/zinc/61/31/37/760613137.db2.gz KSBWPOAKKSSRDK-HKUMRIAESA-N 1 1 323.780 1.742 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001042710262 764378201 /nfs/dbraw/zinc/37/82/01/764378201.db2.gz AVGBIVRBXSPSGA-HUUCEWRRSA-N 1 1 321.421 1.765 20 5 DDBDMO CC(=O)NCCC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001096242590 768737862 /nfs/dbraw/zinc/73/78/62/768737862.db2.gz AUTUOPFPKLTKMP-UHFFFAOYSA-N 1 1 324.356 1.382 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1nccc(Br)c1[N+](=O)[O-] ZINC001170900030 771898318 /nfs/dbraw/zinc/89/83/18/771898318.db2.gz HIRSRMILQRRLPC-SSDOTTSWSA-N 1 1 304.148 1.188 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1F ZINC001093674328 774989278 /nfs/dbraw/zinc/98/92/78/774989278.db2.gz VHFYGDJRJOGMHN-UHFFFAOYSA-N 1 1 312.345 1.602 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001094008571 775325742 /nfs/dbraw/zinc/32/57/42/775325742.db2.gz QINJUTHMHHINNO-UHFFFAOYSA-N 1 1 317.349 1.636 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100204111 775816135 /nfs/dbraw/zinc/81/61/35/775816135.db2.gz UWSBPJAWPIEDFO-UHFFFAOYSA-N 1 1 323.397 1.273 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101875327 777634233 /nfs/dbraw/zinc/63/42/33/777634233.db2.gz SIRAEOGCRORLCL-UHFFFAOYSA-N 1 1 317.349 1.670 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001116230211 780487175 /nfs/dbraw/zinc/48/71/75/780487175.db2.gz URPUVMHRCBKOMS-QWRGUYRKSA-N 1 1 318.377 1.992 20 5 DDBDMO CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](C/C=C/Cl)CC1 ZINC001270878953 843004633 /nfs/dbraw/zinc/00/46/33/843004633.db2.gz GTCFZSIPJWVKDQ-JAVOVTSZSA-N 1 1 315.801 1.622 20 5 DDBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001149206804 861488390 /nfs/dbraw/zinc/48/83/90/861488390.db2.gz VHPXUSRDMABQKD-UHFFFAOYSA-N 1 1 320.349 1.072 20 5 DDBDMO CSCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233639498 846060066 /nfs/dbraw/zinc/06/00/66/846060066.db2.gz HOZMCYUZVAXFNS-UHFFFAOYSA-N 1 1 311.407 1.896 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCOCC23CC3)ncc1[N+](=O)[O-] ZINC001155840260 862493143 /nfs/dbraw/zinc/49/31/43/862493143.db2.gz IOVKAKSFTVORMO-ZZXKWVIFSA-N 1 1 304.350 1.891 20 5 DDBDMO COc1nc(NCCn2cc[nH+]c2C)nc(OC)c1[N+](=O)[O-] ZINC001156007381 862629770 /nfs/dbraw/zinc/62/97/70/862629770.db2.gz NYVMSJNZQABRHK-UHFFFAOYSA-N 1 1 308.298 1.019 20 5 DDBDMO Cc1nc(NCC2(N(C)C)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001156188215 862793260 /nfs/dbraw/zinc/79/32/60/862793260.db2.gz QLUZVFKMHOETBF-UHFFFAOYSA-N 1 1 308.386 1.131 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001072725780 857642318 /nfs/dbraw/zinc/64/23/18/857642318.db2.gz RJTDDYNNKMJREJ-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCCC1)C2 ZINC001072725780 857642323 /nfs/dbraw/zinc/64/23/23/857642323.db2.gz RJTDDYNNKMJREJ-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001072725780 857642332 /nfs/dbraw/zinc/64/23/32/857642332.db2.gz RJTDDYNNKMJREJ-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001328431113 862971066 /nfs/dbraw/zinc/97/10/66/862971066.db2.gz CFTBYDZVUWKSQA-NSHDSACASA-N 1 1 322.321 1.717 20 5 DDBDMO Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001124088462 859571806 /nfs/dbraw/zinc/57/18/06/859571806.db2.gz UWTJSHZIGRYCQP-BFHYXJOUSA-N 1 1 303.362 1.973 20 5 DDBDMO CN1CC[NH+](CCO[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001224551123 881445433 /nfs/dbraw/zinc/44/54/33/881445433.db2.gz CUFDBGZWXBCCOM-MRXNPFEDSA-N 1 1 305.378 1.326 20 5 DDBDMO O=C(NCCC[NH2+]Cc1cc(F)cc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767542 864117913 /nfs/dbraw/zinc/11/79/13/864117913.db2.gz PXUBHAMLCWKCMY-CHWSQXEVSA-N 1 1 313.304 1.226 20 5 DDBDMO C[NH+](C)Cc1ncccc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001225278725 881759179 /nfs/dbraw/zinc/75/91/79/881759179.db2.gz QFANQGIPVVIPCY-JTQLQIEISA-N 1 1 319.321 1.088 20 5 DDBDMO C[C@@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC001334027199 867247388 /nfs/dbraw/zinc/24/73/88/867247388.db2.gz YUTWTAVRGABIKY-LLVKDONJSA-N 1 1 307.350 1.794 20 5 DDBDMO Cc1nc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001324417764 867266628 /nfs/dbraw/zinc/26/66/28/867266628.db2.gz QKPXDKGHJYWEIR-CYBMUJFWSA-N 1 1 321.381 1.384 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001324580458 867373104 /nfs/dbraw/zinc/37/31/04/867373104.db2.gz MLGVWEUIYPRSNJ-HZMBPMFUSA-N 1 1 304.350 1.413 20 5 DDBDMO COc1nc(N[C@@]2(C)CCC[N@@H+](C)C2)nc(OC)c1[N+](=O)[O-] ZINC001162341390 867474232 /nfs/dbraw/zinc/47/42/32/867474232.db2.gz MARDQGXSGPMDQR-ZDUSSCGKSA-N 1 1 311.342 1.298 20 5 DDBDMO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022416 868684392 /nfs/dbraw/zinc/68/43/92/868684392.db2.gz XYWIZRYWSFNJMA-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022416 868684403 /nfs/dbraw/zinc/68/44/03/868684403.db2.gz XYWIZRYWSFNJMA-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO Cc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001163932768 868804106 /nfs/dbraw/zinc/80/41/06/868804106.db2.gz CFMIMRXYEQSWLG-UHFFFAOYSA-N 1 1 301.306 1.455 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001337735034 869611429 /nfs/dbraw/zinc/61/14/29/869611429.db2.gz RRJVFKFRLHUQKX-CABCVRRESA-N 1 1 318.377 1.993 20 5 DDBDMO Cc1nc(N2CCC([N@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001347251690 874070528 /nfs/dbraw/zinc/07/05/28/874070528.db2.gz DTRBPTXAIZXENH-UHFFFAOYSA-N 1 1 321.381 1.384 20 5 DDBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCOC2)o1 ZINC001217714153 877283734 /nfs/dbraw/zinc/28/37/34/877283734.db2.gz CURVNAFXYTUTLU-CMPLNLGQSA-N 1 1 304.306 1.724 20 5 DDBDMO Nc1ccc2n(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)c3ccccc3cc-2c1=O ZINC001219255824 878061221 /nfs/dbraw/zinc/06/12/21/878061221.db2.gz LXNWDLSRBIMRFY-FZMZJTMJSA-N 1 1 322.368 1.018 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)C1 ZINC001355414033 878544425 /nfs/dbraw/zinc/54/44/25/878544425.db2.gz ASNDSVMJQKZSSC-NWDGAFQWSA-N 1 1 310.402 1.321 20 5 DDBDMO C[C@@H](OCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001222542503 880548980 /nfs/dbraw/zinc/54/89/80/880548980.db2.gz GMDGLRFWLCILPN-GFCCVEGCSA-N 1 1 307.350 1.446 20 5 DDBDMO CC[N@H+]1CC[C@H](OCc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001223292835 880908922 /nfs/dbraw/zinc/90/89/22/880908922.db2.gz AJTJJWMSZGDPRC-LBPRGKRZSA-N 1 1 308.334 1.992 20 5 DDBDMO Cc1cnc(CO[C@@H](C)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC001224184957 881261228 /nfs/dbraw/zinc/26/12/28/881261228.db2.gz ZVYGNFLOIPVCHT-LBPRGKRZSA-N 1 1 309.366 1.844 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](C(C)C)C2)cc1O ZINC001228814218 883683388 /nfs/dbraw/zinc/68/33/88/883683388.db2.gz KOGYCMLJDQMTNY-JTQLQIEISA-N 1 1 324.333 1.949 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](C(C)C)C2)cc1O ZINC001228814218 883683397 /nfs/dbraw/zinc/68/33/97/883683397.db2.gz KOGYCMLJDQMTNY-JTQLQIEISA-N 1 1 324.333 1.949 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001246442575 892626570 /nfs/dbraw/zinc/62/65/70/892626570.db2.gz DCVMIGQHJJGKER-OAHLLOKOSA-N 1 1 302.378 1.515 20 5 DDBDMO C[C@@H]1[C@H](N)CC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246547578 892688615 /nfs/dbraw/zinc/68/86/15/892688615.db2.gz DRVDCYRJEVATCU-MLGOLLRUSA-N 1 1 304.394 1.985 20 5 DDBDMO C[C@@H]1[C@H](N)CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246547578 892688622 /nfs/dbraw/zinc/68/86/22/892688622.db2.gz DRVDCYRJEVATCU-MLGOLLRUSA-N 1 1 304.394 1.985 20 5 DDBDMO O=[N+]([O-])CCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255363596 896865007 /nfs/dbraw/zinc/86/50/07/896865007.db2.gz GIJGQTPZOOSWTO-ZDUSSCGKSA-N 1 1 302.334 1.878 20 5 DDBDMO CCOC(=O)C[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001262013463 899896318 /nfs/dbraw/zinc/89/63/18/899896318.db2.gz CVEFZZHVHQHGSJ-GFCCVEGCSA-N 1 1 310.354 1.517 20 5 DDBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](CC[N+](=O)[O-])C[C@H]21 ZINC001262256055 900055612 /nfs/dbraw/zinc/05/56/12/900055612.db2.gz DYEHYZDGVASTLZ-JHJVBQTASA-N 1 1 313.398 1.888 20 5 DDBDMO COC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC001262710401 900322706 /nfs/dbraw/zinc/32/27/06/900322706.db2.gz OTGBYDXAIPQOOP-JTQLQIEISA-N 1 1 308.338 1.673 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC001263222234 900540077 /nfs/dbraw/zinc/54/00/77/900540077.db2.gz SYOCEJRQKAGKMA-UHFFFAOYSA-N 1 1 322.409 1.797 20 5 DDBDMO CCOC(=O)c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000278297863 214074084 /nfs/dbraw/zinc/07/40/84/214074084.db2.gz DGGNOANGWPQUSP-TXEJJXNPSA-N 1 1 319.361 1.769 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000248668915 282097962 /nfs/dbraw/zinc/09/79/62/282097962.db2.gz PDMPXYUYXRYKGZ-GHMZBOCLSA-N 1 1 309.370 1.223 20 5 DDBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451662331 231156064 /nfs/dbraw/zinc/15/60/64/231156064.db2.gz ILLUCUVMZNEFFK-OKILXGFUSA-N 1 1 323.393 1.361 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250804 529442109 /nfs/dbraw/zinc/44/21/09/529442109.db2.gz JKFUQLFBXJVLEQ-HIFRSBDPSA-N 1 1 310.350 1.181 20 5 DDBDMO COC[C@]1(CO)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451920288 231232982 /nfs/dbraw/zinc/23/29/82/231232982.db2.gz ADTAKRRHYNJMLT-OAHLLOKOSA-N 1 1 310.350 1.304 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451261677 529485432 /nfs/dbraw/zinc/48/54/32/529485432.db2.gz WDGFJIVZOJCWDU-SWLSCSKDSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc([N+](=O)[O-])s1 ZINC000452348346 231355948 /nfs/dbraw/zinc/35/59/48/231355948.db2.gz LFBVLNQSJCCMRX-JTQLQIEISA-N 1 1 313.379 1.233 20 5 DDBDMO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413119384 529911747 /nfs/dbraw/zinc/91/17/47/529911747.db2.gz XODGBWNJEBGVQB-UHFFFAOYSA-N 1 1 316.361 1.911 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000226226469 201768459 /nfs/dbraw/zinc/76/84/59/201768459.db2.gz DZBTVGZOUXDWON-UHFFFAOYSA-N 1 1 313.354 1.513 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000358391864 299140824 /nfs/dbraw/zinc/14/08/24/299140824.db2.gz ITIQALUXLALPCD-JQWIXIFHSA-N 1 1 309.341 1.875 20 5 DDBDMO CCn1nncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379225 233148788 /nfs/dbraw/zinc/14/87/88/233148788.db2.gz PCZCPSWMVDXILY-NSHDSACASA-N 1 1 317.353 1.288 20 5 DDBDMO CCn1nncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379225 233148791 /nfs/dbraw/zinc/14/87/91/233148791.db2.gz PCZCPSWMVDXILY-NSHDSACASA-N 1 1 317.353 1.288 20 5 DDBDMO C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280086615 215365439 /nfs/dbraw/zinc/36/54/39/215365439.db2.gz OETZZGNDABLOOQ-GOEBONIOSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000021847334 352175124 /nfs/dbraw/zinc/17/51/24/352175124.db2.gz BARQAGDLSDRVSH-JTQLQIEISA-N 1 1 320.349 1.119 20 5 DDBDMO CCN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000041443587 352308472 /nfs/dbraw/zinc/30/84/72/352308472.db2.gz KCZPWJAQVXJZKA-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000331774298 234107299 /nfs/dbraw/zinc/10/72/99/234107299.db2.gz KWJAWZSCYDCDRB-CFVMTHIKSA-N 1 1 308.382 1.807 20 5 DDBDMO COCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054355564 352688738 /nfs/dbraw/zinc/68/87/38/352688738.db2.gz ZMILGEICMGQPKM-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO COCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054355564 352688745 /nfs/dbraw/zinc/68/87/45/352688745.db2.gz ZMILGEICMGQPKM-JTQLQIEISA-N 1 1 311.338 1.509 20 5 DDBDMO CC[N@@H+](CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000173048210 198180942 /nfs/dbraw/zinc/18/09/42/198180942.db2.gz IJMJZORHIPFDST-UHFFFAOYSA-N 1 1 320.393 1.632 20 5 DDBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000067701578 353062823 /nfs/dbraw/zinc/06/28/23/353062823.db2.gz VGFYDVHDNLNHNF-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC[C@H](C)O ZINC000173568788 198228926 /nfs/dbraw/zinc/22/89/26/198228926.db2.gz PPPJUHWZTGGEQS-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@H](C)O ZINC000173568788 198228928 /nfs/dbraw/zinc/22/89/28/198228928.db2.gz PPPJUHWZTGGEQS-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000073811940 353272192 /nfs/dbraw/zinc/27/21/92/353272192.db2.gz FOAUTBUMBSDAAO-CYBMUJFWSA-N 1 1 306.366 1.531 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174163412 198300697 /nfs/dbraw/zinc/30/06/97/198300697.db2.gz WMEDOTMATDNXCL-ZDUSSCGKSA-N 1 1 319.361 1.389 20 5 DDBDMO COC1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075745690 353379260 /nfs/dbraw/zinc/37/92/60/353379260.db2.gz ZJKLBYUIHKCOJJ-HRDQMINSSA-N 1 1 312.370 1.042 20 5 DDBDMO C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174749014 198379615 /nfs/dbraw/zinc/37/96/15/198379615.db2.gz JHDNCOZFFNPRIG-OAHLLOKOSA-N 1 1 322.340 1.466 20 5 DDBDMO COCCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000078302278 353509685 /nfs/dbraw/zinc/50/96/85/353509685.db2.gz LFRCCINQMLIDDX-UHFFFAOYSA-N 1 1 308.382 1.847 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108307521 353950458 /nfs/dbraw/zinc/95/04/58/353950458.db2.gz FXEWKQXZKNJNNV-CYBMUJFWSA-N 1 1 318.377 1.607 20 5 DDBDMO COc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000142316975 354143919 /nfs/dbraw/zinc/14/39/19/354143919.db2.gz NYYKIZHHPZHLTE-CYBMUJFWSA-N 1 1 319.361 1.914 20 5 DDBDMO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119142 354196393 /nfs/dbraw/zinc/19/63/93/354196393.db2.gz YKYWFEOVEGBPRU-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1CO[C@H](CO)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000153119142 354196396 /nfs/dbraw/zinc/19/63/96/354196396.db2.gz YKYWFEOVEGBPRU-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1cccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000153796989 354201810 /nfs/dbraw/zinc/20/18/10/354201810.db2.gz MTLKZMVBEPOREX-MGPQQGTHSA-N 1 1 324.377 1.752 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000281125847 354425815 /nfs/dbraw/zinc/42/58/15/354425815.db2.gz OAKVACLIVUTCRL-MRXNPFEDSA-N 1 1 321.377 1.822 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000317434370 354511112 /nfs/dbraw/zinc/51/11/12/354511112.db2.gz WTINYFNJTKCINS-ZDUSSCGKSA-N 1 1 307.350 1.431 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@@H](C)C1 ZINC000346231306 283035089 /nfs/dbraw/zinc/03/50/89/283035089.db2.gz OBROETMBQSTOQC-SGMGOOAPSA-N 1 1 320.393 1.736 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403826586 354670640 /nfs/dbraw/zinc/67/06/40/354670640.db2.gz CGDNGOOHPKBLNL-SNVBAGLBSA-N 1 1 304.297 1.049 20 5 DDBDMO C[N@@H+](CCCCS(C)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000586773500 354863558 /nfs/dbraw/zinc/86/35/58/354863558.db2.gz NOBYUVYXMXFNIH-UHFFFAOYSA-N 1 1 314.407 1.894 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC[C@@H]21 ZINC000588001106 354891736 /nfs/dbraw/zinc/89/17/36/354891736.db2.gz ONQNTEZXBNMFNE-ABAIWWIYSA-N 1 1 320.393 1.590 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000589510899 354997946 /nfs/dbraw/zinc/99/79/46/354997946.db2.gz UNJXPNISUIDLIX-JQWIXIFHSA-N 1 1 308.334 1.584 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000590537461 355109613 /nfs/dbraw/zinc/10/96/13/355109613.db2.gz JMHBBNQJBQUVED-AAEUAGOBSA-N 1 1 308.313 1.248 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590447658 355099075 /nfs/dbraw/zinc/09/90/75/355099075.db2.gz ZRENJKZSRAHWEG-GXFFZTMASA-N 1 1 305.334 1.380 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000590446553 355099858 /nfs/dbraw/zinc/09/98/58/355099858.db2.gz UJAAVCQKXDYSIK-WFASDCNBSA-N 1 1 318.377 1.559 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000590776644 355176525 /nfs/dbraw/zinc/17/65/25/355176525.db2.gz LHUHAGPYUWGOCP-WCQYABFASA-N 1 1 305.334 1.380 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000593036810 355776434 /nfs/dbraw/zinc/77/64/34/355776434.db2.gz UMKDYIOVSVHPBY-YPMHNXCESA-N 1 1 322.361 1.974 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CC)CO1 ZINC000593060283 355783786 /nfs/dbraw/zinc/78/37/86/355783786.db2.gz ZYKUJZVPGOESJM-KWCYVHTRSA-N 1 1 312.370 1.042 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593187607 355819855 /nfs/dbraw/zinc/81/98/55/355819855.db2.gz MKHPHXODYNUZKI-YUSALJHKSA-N 1 1 306.366 1.851 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594067156 356104865 /nfs/dbraw/zinc/10/48/65/356104865.db2.gz YSLSFIKXAWSMKR-SNVBAGLBSA-N 1 1 323.349 1.387 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594067156 356104868 /nfs/dbraw/zinc/10/48/68/356104868.db2.gz YSLSFIKXAWSMKR-SNVBAGLBSA-N 1 1 323.349 1.387 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000594016622 356089666 /nfs/dbraw/zinc/08/96/66/356089666.db2.gz ANVXTVLFXQWGQQ-OAHLLOKOSA-N 1 1 321.377 1.795 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000594198107 356136990 /nfs/dbraw/zinc/13/69/90/356136990.db2.gz RXLMSIDMLHIFIY-RYUDHWBXSA-N 1 1 321.381 1.558 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594600573 356261214 /nfs/dbraw/zinc/26/12/14/356261214.db2.gz MFEFLQSWRUFQBP-STQMWFEESA-N 1 1 319.365 1.518 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594614695 356267163 /nfs/dbraw/zinc/26/71/63/356267163.db2.gz ZAISAYMHTCYTDF-QWZUFBECSA-N 1 1 303.362 1.359 20 5 DDBDMO CCS(=O)(=O)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000594992465 356369278 /nfs/dbraw/zinc/36/92/78/356369278.db2.gz FJMYTESYRFCAGB-UHFFFAOYSA-N 1 1 304.393 1.713 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000595033062 356375098 /nfs/dbraw/zinc/37/50/98/356375098.db2.gz AJLZHVHTAXNYFS-VHSXEESVSA-N 1 1 316.379 1.687 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000595042998 356376007 /nfs/dbraw/zinc/37/60/07/356376007.db2.gz DKPLGODMRPSMAR-CABZTGNLSA-N 1 1 321.333 1.401 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NCc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000594992767 356370266 /nfs/dbraw/zinc/37/02/66/356370266.db2.gz XHGCQIRFAUDSJY-GFCCVEGCSA-N 1 1 309.366 1.883 20 5 DDBDMO CCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000594992767 356370270 /nfs/dbraw/zinc/37/02/70/356370270.db2.gz XHGCQIRFAUDSJY-GFCCVEGCSA-N 1 1 309.366 1.883 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595745025 356632199 /nfs/dbraw/zinc/63/21/99/356632199.db2.gz NWTKNHQNKCMWPL-UTUOFQBUSA-N 1 1 321.377 1.871 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595765912 356644277 /nfs/dbraw/zinc/64/42/77/356644277.db2.gz LMOMSJMVDSRSRK-SMDDNHRTSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595765912 356644279 /nfs/dbraw/zinc/64/42/79/356644279.db2.gz LMOMSJMVDSRSRK-SMDDNHRTSA-N 1 1 307.350 1.687 20 5 DDBDMO C[C@]12COC[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595759872 356640512 /nfs/dbraw/zinc/64/05/12/356640512.db2.gz QLCVJRQXWFAFMZ-LRDDRELGSA-N 1 1 319.361 1.892 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595836632 356671095 /nfs/dbraw/zinc/67/10/95/356671095.db2.gz XOVZGFKYJLBIMI-AGIUHOORSA-N 1 1 319.361 1.890 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595826501 356665986 /nfs/dbraw/zinc/66/59/86/356665986.db2.gz ABFDGELDKBEDBR-STQMWFEESA-N 1 1 322.361 1.951 20 5 DDBDMO C[C@@H]1C[N@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596155341 356794476 /nfs/dbraw/zinc/79/44/76/356794476.db2.gz ICEKCOSRLGJTEK-TXEJJXNPSA-N 1 1 324.381 1.997 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596268231 356838957 /nfs/dbraw/zinc/83/89/57/356838957.db2.gz GPYDAPKCOKBKQT-LLVKDONJSA-N 1 1 306.366 1.614 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596537853 356910413 /nfs/dbraw/zinc/91/04/13/356910413.db2.gz INFITWAPNXWMAR-CYBMUJFWSA-N 1 1 321.377 1.639 20 5 DDBDMO O=[N+]([O-])c1cnccc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514978 356902625 /nfs/dbraw/zinc/90/26/25/356902625.db2.gz PRXPWOCWFIDAGY-HUUCEWRRSA-N 1 1 318.377 1.467 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597223812 357100217 /nfs/dbraw/zinc/10/02/17/357100217.db2.gz UBBHKKQLORKJOJ-CHWSQXEVSA-N 1 1 320.345 1.988 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597921534 357382259 /nfs/dbraw/zinc/38/22/59/357382259.db2.gz GUQYPEPFMXZTSX-SNVBAGLBSA-N 1 1 323.397 1.873 20 5 DDBDMO CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000597947399 357394896 /nfs/dbraw/zinc/39/48/96/357394896.db2.gz XQZPROCXQQEQKG-ZDUSSCGKSA-N 1 1 321.377 1.835 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000618318413 363583159 /nfs/dbraw/zinc/58/31/59/363583159.db2.gz YHJCNXLCMWZWAE-UHFFFAOYSA-N 1 1 319.361 1.813 20 5 DDBDMO CN(C(=O)C[N@H+]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000618318413 363583164 /nfs/dbraw/zinc/58/31/64/363583164.db2.gz YHJCNXLCMWZWAE-UHFFFAOYSA-N 1 1 319.361 1.813 20 5 DDBDMO COC(=O)c1ccnc(NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598594799 357645734 /nfs/dbraw/zinc/64/57/34/357645734.db2.gz CSUMCRDCUQZKIP-SNVBAGLBSA-N 1 1 308.338 1.530 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000598572852 357637004 /nfs/dbraw/zinc/63/70/04/357637004.db2.gz LUAXPXPLEUJQSC-ZDUSSCGKSA-N 1 1 317.349 1.541 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599081268 357808967 /nfs/dbraw/zinc/80/89/67/357808967.db2.gz KQSCMFBJTVJIGU-GLQYFDAESA-N 1 1 316.361 1.778 20 5 DDBDMO C[C@]1(CO)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599627297 357998140 /nfs/dbraw/zinc/99/81/40/357998140.db2.gz WWCLKWKJIOGYFP-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO C[C@]1(CO)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599627297 357998145 /nfs/dbraw/zinc/99/81/45/357998145.db2.gz WWCLKWKJIOGYFP-GASCZTMLSA-N 1 1 312.341 1.547 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599552236 357970744 /nfs/dbraw/zinc/97/07/44/357970744.db2.gz YRRQYGYJTZSDGV-NSHDSACASA-N 1 1 304.297 1.273 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624097 357996362 /nfs/dbraw/zinc/99/63/62/357996362.db2.gz PFTKEMMCNOAEOF-WQVCFCJDSA-N 1 1 308.378 1.969 20 5 DDBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599639657 358002125 /nfs/dbraw/zinc/00/21/25/358002125.db2.gz LJYGLQDHTIUZRL-BLLLJJGKSA-N 1 1 319.361 1.628 20 5 DDBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599639657 358002126 /nfs/dbraw/zinc/00/21/26/358002126.db2.gz LJYGLQDHTIUZRL-BLLLJJGKSA-N 1 1 319.361 1.628 20 5 DDBDMO COC(=O)[C@@](C)(NC[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599648755 358007045 /nfs/dbraw/zinc/00/70/45/358007045.db2.gz FAWVWPIHGPCJBM-ZBFHGGJFSA-N 1 1 321.377 1.667 20 5 DDBDMO O=C(CC[N@@H+]1CCn2nncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000565489511 304071602 /nfs/dbraw/zinc/07/16/02/304071602.db2.gz YJIWLKBBXVYBTJ-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(CC[N@H+]1CCn2nncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000565489511 304071605 /nfs/dbraw/zinc/07/16/05/304071605.db2.gz YJIWLKBBXVYBTJ-UHFFFAOYSA-N 1 1 316.321 1.031 20 5 DDBDMO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCOCC2)C1 ZINC000600705921 358288168 /nfs/dbraw/zinc/28/81/68/358288168.db2.gz QSJDRKTWOQNNDU-UHFFFAOYSA-N 1 1 320.349 1.580 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000601002334 358377691 /nfs/dbraw/zinc/37/76/91/358377691.db2.gz NILODXYVJTUIBR-UHFFFAOYSA-N 1 1 307.325 1.902 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601116404 358409376 /nfs/dbraw/zinc/40/93/76/358409376.db2.gz SXOJPSDBCXLYHD-ZDUSSCGKSA-N 1 1 315.377 1.223 20 5 DDBDMO CCC(=O)N1CC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601129857 358414487 /nfs/dbraw/zinc/41/44/87/358414487.db2.gz NKGYRQMYBWJBIQ-NSHDSACASA-N 1 1 314.345 1.988 20 5 DDBDMO Cc1nn(C)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149161 358422222 /nfs/dbraw/zinc/42/22/22/358422222.db2.gz KBGQDAVFLFNBMJ-OAHLLOKOSA-N 1 1 304.350 1.634 20 5 DDBDMO CCn1nccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149878 358422248 /nfs/dbraw/zinc/42/22/48/358422248.db2.gz RFXPYWKBAIITNJ-HNNXBMFYSA-N 1 1 304.350 1.809 20 5 DDBDMO CC(C)(O)CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602585652 359057081 /nfs/dbraw/zinc/05/70/81/359057081.db2.gz HVSUQNIZJHCWMZ-UHFFFAOYSA-N 1 1 307.394 1.920 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000602771581 359179632 /nfs/dbraw/zinc/17/96/32/359179632.db2.gz FLFZTIUSGSAYHZ-ZDUSSCGKSA-N 1 1 304.354 1.633 20 5 DDBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2COC[C@H]2O)cc1Br ZINC000602725355 359151920 /nfs/dbraw/zinc/15/19/20/359151920.db2.gz PYRZNMLQNHRIAI-JGVFFNPUSA-N 1 1 323.168 1.268 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000602840560 359230061 /nfs/dbraw/zinc/23/00/61/359230061.db2.gz NUEJYOOMXWADMU-ZDUSSCGKSA-N 1 1 321.425 1.906 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602799672 359200846 /nfs/dbraw/zinc/20/08/46/359200846.db2.gz KVEIDWKVRUOEOK-UHFFFAOYSA-N 1 1 305.338 1.635 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000602832479 359223722 /nfs/dbraw/zinc/22/37/22/359223722.db2.gz NEGSTRTVKCJHQI-LBPRGKRZSA-N 1 1 307.398 1.516 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCc2ncnn21 ZINC000602832338 359223864 /nfs/dbraw/zinc/22/38/64/359223864.db2.gz UPMLFLLCGUVUBB-CYBMUJFWSA-N 1 1 301.350 1.848 20 5 DDBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602915329 359291314 /nfs/dbraw/zinc/29/13/14/359291314.db2.gz BAGAUWUFJGUZHV-CYBMUJFWSA-N 1 1 309.370 1.090 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602932434 359302028 /nfs/dbraw/zinc/30/20/28/359302028.db2.gz XQVISXSQXGOOSZ-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000602932434 359302033 /nfs/dbraw/zinc/30/20/33/359302033.db2.gz XQVISXSQXGOOSZ-RISCZKNCSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000602882356 359265476 /nfs/dbraw/zinc/26/54/76/359265476.db2.gz DDFNIVIKCKZGLR-HNNXBMFYSA-N 1 1 318.377 1.635 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000602961062 359323854 /nfs/dbraw/zinc/32/38/54/359323854.db2.gz UERXMIWYHKNGKM-WCQYABFASA-N 1 1 319.365 1.278 20 5 DDBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142271 359430672 /nfs/dbraw/zinc/43/06/72/359430672.db2.gz JCUJDUKSTJNDES-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142271 359430676 /nfs/dbraw/zinc/43/06/76/359430676.db2.gz JCUJDUKSTJNDES-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142271 359430680 /nfs/dbraw/zinc/43/06/80/359430680.db2.gz JCUJDUKSTJNDES-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603142271 359430685 /nfs/dbraw/zinc/43/06/85/359430685.db2.gz JCUJDUKSTJNDES-PHIMTYICSA-N 1 1 323.397 1.996 20 5 DDBDMO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1O ZINC000186884098 200026942 /nfs/dbraw/zinc/02/69/42/200026942.db2.gz NCLSMCTVUJXNSN-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1O ZINC000186884098 200026944 /nfs/dbraw/zinc/02/69/44/200026944.db2.gz NCLSMCTVUJXNSN-MFKMUULPSA-N 1 1 318.333 1.848 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000604264293 359730700 /nfs/dbraw/zinc/73/07/00/359730700.db2.gz CWNNYIHMUXOFPA-GFCCVEGCSA-N 1 1 322.365 1.250 20 5 DDBDMO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609802290 360352556 /nfs/dbraw/zinc/35/25/56/360352556.db2.gz OOVLWEGXVVHWIF-HNNXBMFYSA-N 1 1 319.409 1.595 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891567 360565120 /nfs/dbraw/zinc/56/51/20/360565120.db2.gz WEUWXUQQASLKHB-GFCCVEGCSA-N 1 1 305.334 1.515 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891567 360565124 /nfs/dbraw/zinc/56/51/24/360565124.db2.gz WEUWXUQQASLKHB-GFCCVEGCSA-N 1 1 305.334 1.515 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000611087776 360618646 /nfs/dbraw/zinc/61/86/46/360618646.db2.gz JIFXFADPXQIQHW-LLVKDONJSA-N 1 1 323.397 1.351 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611088456 360620032 /nfs/dbraw/zinc/62/00/32/360620032.db2.gz XEOSHALHXKIYFU-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292545280 223138628 /nfs/dbraw/zinc/13/86/28/223138628.db2.gz YDYXKYXETSBYTB-FZMZJTMJSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292545280 223138631 /nfs/dbraw/zinc/13/86/31/223138631.db2.gz YDYXKYXETSBYTB-FZMZJTMJSA-N 1 1 307.350 1.403 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000618898197 363787866 /nfs/dbraw/zinc/78/78/66/363787866.db2.gz ZYFLWGBOGOPOMC-XHDPSFHLSA-N 1 1 320.393 1.590 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261847106 203133381 /nfs/dbraw/zinc/13/33/81/203133381.db2.gz UYQYBBSPEMYQPD-OAHLLOKOSA-N 1 1 312.329 1.777 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CN1C(C)=O ZINC000350487490 284205622 /nfs/dbraw/zinc/20/56/22/284205622.db2.gz ZNBBBRJACONNRB-UONOGXRCSA-N 1 1 323.397 1.513 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](CC)CN1C(C)=O ZINC000350487490 284205625 /nfs/dbraw/zinc/20/56/25/284205625.db2.gz ZNBBBRJACONNRB-UONOGXRCSA-N 1 1 323.397 1.513 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264603317 204021862 /nfs/dbraw/zinc/02/18/62/204021862.db2.gz FIKOJISBOZOGFU-UHFFFAOYSA-N 1 1 320.393 1.304 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000264697666 204086386 /nfs/dbraw/zinc/08/63/86/204086386.db2.gz SQUZSEYDZLHAHP-SNVBAGLBSA-N 1 1 302.334 1.758 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000020514937 182226208 /nfs/dbraw/zinc/22/62/08/182226208.db2.gz ODENRIVYUJSRCB-UHFFFAOYSA-N 1 1 308.338 1.773 20 5 DDBDMO CCCC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000112310405 248255539 /nfs/dbraw/zinc/25/55/39/248255539.db2.gz FHRYVHVZGYXYMM-UHFFFAOYSA-N 1 1 309.366 1.822 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000334075897 249205703 /nfs/dbraw/zinc/20/57/03/249205703.db2.gz CRUROQPVJLBCGG-MNOVXSKESA-N 1 1 307.350 1.816 20 5 DDBDMO CNc1c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000336860618 249268627 /nfs/dbraw/zinc/26/86/27/249268627.db2.gz SOWXHAZUHRGCDQ-SNVBAGLBSA-N 1 1 304.350 1.603 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000106395772 194206241 /nfs/dbraw/zinc/20/62/41/194206241.db2.gz XNPRSZQIXZGPRD-LBPRGKRZSA-N 1 1 307.350 1.124 20 5 DDBDMO CN(C(=O)C[N@@H+]1CCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000109785747 194284357 /nfs/dbraw/zinc/28/43/57/194284357.db2.gz KFCHWULQBIENQJ-AWEZNQCLSA-N 1 1 321.377 1.795 20 5 DDBDMO CN(C(=O)C[N@H+]1CCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000109785747 194284359 /nfs/dbraw/zinc/28/43/59/194284359.db2.gz KFCHWULQBIENQJ-AWEZNQCLSA-N 1 1 321.377 1.795 20 5 DDBDMO C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000057701516 184047651 /nfs/dbraw/zinc/04/76/51/184047651.db2.gz NOSLVJJPHBRRPD-NSHDSACASA-N 1 1 306.366 1.606 20 5 DDBDMO Nc1c(C(=O)N2CCC[N@H+](C3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000061604189 184177508 /nfs/dbraw/zinc/17/75/08/184177508.db2.gz DDWBXPGTXODVRW-UHFFFAOYSA-N 1 1 322.340 1.626 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000341025439 251344706 /nfs/dbraw/zinc/34/47/06/251344706.db2.gz JCNSXHOKDYJJTC-JSGCOSHPSA-N 1 1 320.393 1.919 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269456558 207554487 /nfs/dbraw/zinc/55/44/87/207554487.db2.gz HCSVNYUIBCJXFH-CYBMUJFWSA-N 1 1 307.350 1.124 20 5 DDBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352404117 285027883 /nfs/dbraw/zinc/02/78/83/285027883.db2.gz CGCLMCGKIYZDIR-CMPLNLGQSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1c(CC(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000158779105 197300621 /nfs/dbraw/zinc/30/06/21/197300621.db2.gz VPODXYDJAGJREJ-UHFFFAOYSA-N 1 1 321.377 1.284 20 5 DDBDMO O=[N+]([O-])c1ccccc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413400773 224189578 /nfs/dbraw/zinc/18/95/78/224189578.db2.gz KRQDJNYCEFYMNE-UHFFFAOYSA-N 1 1 321.377 1.888 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)nc1 ZINC000413403930 224189838 /nfs/dbraw/zinc/18/98/38/224189838.db2.gz ODBLXQDBIASTSS-UHFFFAOYSA-N 1 1 322.365 1.283 20 5 DDBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294923310 533218126 /nfs/dbraw/zinc/21/81/26/533218126.db2.gz BBTMVMZGDDWETL-HNNXBMFYSA-N 1 1 308.334 1.606 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000294979688 224355627 /nfs/dbraw/zinc/35/56/27/224355627.db2.gz GKHWKYHRBQJRFA-MRXNPFEDSA-N 1 1 322.361 1.915 20 5 DDBDMO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414789837 224395121 /nfs/dbraw/zinc/39/51/21/224395121.db2.gz OTLBHYPXWCQDFL-AWEZNQCLSA-N 1 1 305.378 1.782 20 5 DDBDMO CON1CCC([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000459594218 533309471 /nfs/dbraw/zinc/30/94/71/533309471.db2.gz XPUFCYXUZVQIEQ-UHFFFAOYSA-N 1 1 322.365 1.151 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491262305 533311362 /nfs/dbraw/zinc/31/13/62/533311362.db2.gz MQBRTRLAQNPLTH-TWGQIWQCSA-N 1 1 321.377 1.693 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1 ZINC000423193934 533446350 /nfs/dbraw/zinc/44/63/50/533446350.db2.gz RCQRFWBUISWOOY-AAEUAGOBSA-N 1 1 306.366 1.654 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000124661320 407365828 /nfs/dbraw/zinc/36/58/28/407365828.db2.gz KAYBMWKJJWPKLA-NWDGAFQWSA-N 1 1 309.370 1.123 20 5 DDBDMO C[C@@H]1C[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000124661565 407365947 /nfs/dbraw/zinc/36/59/47/407365947.db2.gz KAYBMWKJJWPKLA-NEPJUHHUSA-N 1 1 309.370 1.123 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@H](C)O)C(C)C ZINC000107043096 407368531 /nfs/dbraw/zinc/36/85/31/407368531.db2.gz OUKSESGIEFHOKF-LBPRGKRZSA-N 1 1 309.366 1.933 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000124812242 407370418 /nfs/dbraw/zinc/37/04/18/407370418.db2.gz LLPVMHOMXAFNEL-STQMWFEESA-N 1 1 321.377 1.915 20 5 DDBDMO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108341337 407384573 /nfs/dbraw/zinc/38/45/73/407384573.db2.gz KSSVFQROQOSGLK-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC[N@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000107893579 407381032 /nfs/dbraw/zinc/38/10/32/407381032.db2.gz WAQPDQPAJPCAAU-LBPRGKRZSA-N 1 1 306.366 1.465 20 5 DDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000178402426 407446130 /nfs/dbraw/zinc/44/61/30/407446130.db2.gz BPJWMXLOUZXMPF-UHFFFAOYSA-N 1 1 307.398 1.742 20 5 DDBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000112983534 407454981 /nfs/dbraw/zinc/45/49/81/407454981.db2.gz JSZLOTUCRLWLNO-UHFFFAOYSA-N 1 1 321.333 1.994 20 5 DDBDMO CC[N@@H+](CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270992175 407457432 /nfs/dbraw/zinc/45/74/32/407457432.db2.gz IIDYDENJDAXJQL-UHFFFAOYSA-N 1 1 304.350 1.810 20 5 DDBDMO COC(=O)C1(O)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271369536 407655922 /nfs/dbraw/zinc/65/59/22/407655922.db2.gz JAYGEIUGMUPLDK-LLVKDONJSA-N 1 1 308.334 1.656 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000130147824 407657425 /nfs/dbraw/zinc/65/74/25/407657425.db2.gz YPCURRYZWUCUSL-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000132366116 407782408 /nfs/dbraw/zinc/78/24/08/407782408.db2.gz KGCCBBLIHBYOJK-LBPRGKRZSA-N 1 1 309.370 1.090 20 5 DDBDMO C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000133326680 407830292 /nfs/dbraw/zinc/83/02/92/407830292.db2.gz BGMPYHBUFKTADF-FZMZJTMJSA-N 1 1 322.365 1.113 20 5 DDBDMO C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000133326680 407830297 /nfs/dbraw/zinc/83/02/97/407830297.db2.gz BGMPYHBUFKTADF-FZMZJTMJSA-N 1 1 322.365 1.113 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000268023574 407859611 /nfs/dbraw/zinc/85/96/11/407859611.db2.gz LJSJLZOMQIMVDH-GFCCVEGCSA-N 1 1 306.366 1.921 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1C1CC1 ZINC000133592006 407863473 /nfs/dbraw/zinc/86/34/73/407863473.db2.gz BIXNSZRZIVMUNB-BDAKNGLRSA-N 1 1 306.322 1.050 20 5 DDBDMO [NH3+]C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000237883504 407847280 /nfs/dbraw/zinc/84/72/80/407847280.db2.gz FQUHQKYKKMEDMO-SECBINFHSA-N 1 1 303.322 1.282 20 5 DDBDMO COc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])cc1F ZINC000268223923 407956041 /nfs/dbraw/zinc/95/60/41/407956041.db2.gz SZLCFEGQVFGEOX-SNVBAGLBSA-N 1 1 312.345 1.400 20 5 DDBDMO COCCOC[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154377362 408027531 /nfs/dbraw/zinc/02/75/31/408027531.db2.gz MJXZZJCNKWQYLU-BBRMVZONSA-N 1 1 324.377 1.613 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(CO)CC1 ZINC000190033520 408151938 /nfs/dbraw/zinc/15/19/38/408151938.db2.gz NMDHQHRUQOOHRY-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(CO)CC1 ZINC000190033520 408151942 /nfs/dbraw/zinc/15/19/42/408151942.db2.gz NMDHQHRUQOOHRY-UHFFFAOYSA-N 1 1 319.361 1.188 20 5 DDBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1CCC[N@@H+](C)C1 ZINC000151119915 408260557 /nfs/dbraw/zinc/26/05/57/408260557.db2.gz SMVRCFPDQYRAEB-JTQLQIEISA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246483889 408268744 /nfs/dbraw/zinc/26/87/44/408268744.db2.gz QBSBOWGDUCLFAG-IUODEOHRSA-N 1 1 321.377 1.801 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000246483889 408268754 /nfs/dbraw/zinc/26/87/54/408268754.db2.gz QBSBOWGDUCLFAG-IUODEOHRSA-N 1 1 321.377 1.801 20 5 DDBDMO CCOC(=O)C1([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000151193973 408274201 /nfs/dbraw/zinc/27/42/01/408274201.db2.gz JPKKYWDTMBSTCE-UHFFFAOYSA-N 1 1 324.381 1.989 20 5 DDBDMO CCOC(=O)C1([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000151193973 408274212 /nfs/dbraw/zinc/27/42/12/408274212.db2.gz JPKKYWDTMBSTCE-UHFFFAOYSA-N 1 1 324.381 1.989 20 5 DDBDMO O=C(CCCC[NH+]1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000263880630 408299260 /nfs/dbraw/zinc/29/92/60/408299260.db2.gz BJHQOMJLPMCDBK-UHFFFAOYSA-N 1 1 321.377 1.714 20 5 DDBDMO C[N@@H+](CCOc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176198654 408305668 /nfs/dbraw/zinc/30/56/68/408305668.db2.gz ZHISDWBOUSVFJL-UHFFFAOYSA-N 1 1 308.313 1.941 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC1CCOCC1 ZINC000176424370 408363322 /nfs/dbraw/zinc/36/33/22/408363322.db2.gz DJAGHYGWORLLIB-AWEZNQCLSA-N 1 1 324.377 1.583 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246907599 408364872 /nfs/dbraw/zinc/36/48/72/408364872.db2.gz ROTUHNCMSRZPLI-IUODEOHRSA-N 1 1 321.377 1.650 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192041 408386038 /nfs/dbraw/zinc/38/60/38/408386038.db2.gz WVPGHUACUMNUMJ-MDZLAQPJSA-N 1 1 308.338 1.065 20 5 DDBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000191192041 408386040 /nfs/dbraw/zinc/38/60/40/408386040.db2.gz WVPGHUACUMNUMJ-MDZLAQPJSA-N 1 1 308.338 1.065 20 5 DDBDMO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173953214 162380380 /nfs/dbraw/zinc/38/03/80/162380380.db2.gz IZLJKNFXBJRSFE-CQSZACIVSA-N 1 1 321.377 1.510 20 5 DDBDMO COc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000173953214 162380386 /nfs/dbraw/zinc/38/03/86/162380386.db2.gz IZLJKNFXBJRSFE-CQSZACIVSA-N 1 1 321.377 1.510 20 5 DDBDMO CC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000183385610 408395562 /nfs/dbraw/zinc/39/55/62/408395562.db2.gz XNBHRQHSFFMEGV-UHFFFAOYSA-N 1 1 317.349 1.591 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)nc1 ZINC000248388059 408554492 /nfs/dbraw/zinc/55/44/92/408554492.db2.gz CUHSTHUGSJZPTG-WCBMZHEXSA-N 1 1 320.271 1.399 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)nc1 ZINC000248388059 408554499 /nfs/dbraw/zinc/55/44/99/408554499.db2.gz CUHSTHUGSJZPTG-WCBMZHEXSA-N 1 1 320.271 1.399 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178046 408541951 /nfs/dbraw/zinc/54/19/51/408541951.db2.gz VYMZUZPTLAMBIX-TZMCWYRMSA-N 1 1 321.381 1.124 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000192532347 408604470 /nfs/dbraw/zinc/60/44/70/408604470.db2.gz QMHAKDDIBYTJLU-NSHDSACASA-N 1 1 305.334 1.524 20 5 DDBDMO COc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000248666712 408613593 /nfs/dbraw/zinc/61/35/93/408613593.db2.gz OHIPZHYPJABUSW-RYUDHWBXSA-N 1 1 309.366 1.495 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])[nH+]c1 ZINC000270758571 408670264 /nfs/dbraw/zinc/67/02/64/408670264.db2.gz DZVPWUJSWOXBSO-UHFFFAOYSA-N 1 1 318.337 1.264 20 5 DDBDMO CN(CCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000285811579 408868545 /nfs/dbraw/zinc/86/85/45/408868545.db2.gz VVRYRKWBKLRLCP-UHFFFAOYSA-N 1 1 321.381 1.838 20 5 DDBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000281453505 408886254 /nfs/dbraw/zinc/88/62/54/408886254.db2.gz QRZRRBBFVYUDAE-CYBMUJFWSA-N 1 1 304.354 1.752 20 5 DDBDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000281453505 408886258 /nfs/dbraw/zinc/88/62/58/408886258.db2.gz QRZRRBBFVYUDAE-CYBMUJFWSA-N 1 1 304.354 1.752 20 5 DDBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277630159 408980823 /nfs/dbraw/zinc/98/08/23/408980823.db2.gz XBWGFHDDCWGJRS-GFCCVEGCSA-N 1 1 320.349 1.442 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283597796 409182708 /nfs/dbraw/zinc/18/27/08/409182708.db2.gz XZXHYEKADYDQED-JTQLQIEISA-N 1 1 324.356 1.920 20 5 DDBDMO Cn1c[nH+]cc1CCc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290178231 409313959 /nfs/dbraw/zinc/31/39/59/409313959.db2.gz VHGXBGVRXDXSMT-UHFFFAOYSA-N 1 1 314.305 1.482 20 5 DDBDMO COC(=O)Cc1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000295539424 409339197 /nfs/dbraw/zinc/33/91/97/409339197.db2.gz OFWKPKIHMSEXRM-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280536479 409348310 /nfs/dbraw/zinc/34/83/10/409348310.db2.gz PINDOXLJMZUDAN-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280536479 409348318 /nfs/dbraw/zinc/34/83/18/409348318.db2.gz PINDOXLJMZUDAN-XJKSGUPXSA-N 1 1 322.361 1.853 20 5 DDBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000331547552 409622140 /nfs/dbraw/zinc/62/21/40/409622140.db2.gz RJEXWSJLZBASTJ-LLVKDONJSA-N 1 1 305.334 1.570 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835058 409647087 /nfs/dbraw/zinc/64/70/87/409647087.db2.gz BFTQUMIKABYBSH-VXGBXAGGSA-N 1 1 323.397 1.349 20 5 DDBDMO CC[N@H+](Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305034145 409657057 /nfs/dbraw/zinc/65/70/57/409657057.db2.gz IDKUGBVTDUZGSF-AWEZNQCLSA-N 1 1 305.338 1.069 20 5 DDBDMO Cc1sc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000296852889 409667407 /nfs/dbraw/zinc/66/74/07/409667407.db2.gz HQSOQSWATPQTSB-UHFFFAOYSA-N 1 1 313.379 1.151 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000357012404 409794467 /nfs/dbraw/zinc/79/44/67/409794467.db2.gz YQJUYRQNWITJOT-QWHCGFSZSA-N 1 1 320.393 1.866 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000342833358 409936262 /nfs/dbraw/zinc/93/62/62/409936262.db2.gz ZDLUVOPLMXRTGG-HNNXBMFYSA-N 1 1 323.349 1.168 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298081898 410104604 /nfs/dbraw/zinc/10/46/04/410104604.db2.gz MROYJSYQACDBJA-LBPRGKRZSA-N 1 1 319.361 1.188 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298081898 410104613 /nfs/dbraw/zinc/10/46/13/410104613.db2.gz MROYJSYQACDBJA-LBPRGKRZSA-N 1 1 319.361 1.188 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357712961 410203000 /nfs/dbraw/zinc/20/30/00/410203000.db2.gz XMKYVVJLDXRZNV-SNVBAGLBSA-N 1 1 317.305 1.400 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000298650427 410331181 /nfs/dbraw/zinc/33/11/81/410331181.db2.gz YBKBZFDMGJWLAV-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CO)C1 ZINC000298650427 410331187 /nfs/dbraw/zinc/33/11/87/410331187.db2.gz YBKBZFDMGJWLAV-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+]1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000343311186 410338065 /nfs/dbraw/zinc/33/80/65/410338065.db2.gz ZDFGEUYMJRXCTL-UHFFFAOYSA-N 1 1 307.325 1.655 20 5 DDBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000347470435 410570661 /nfs/dbraw/zinc/57/06/61/410570661.db2.gz HTCIXNZKJSVVAA-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO Cc1cnn(C)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000347848891 410755022 /nfs/dbraw/zinc/75/50/22/410755022.db2.gz JKDHCJZEVWWJBY-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1cc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000301851329 410813847 /nfs/dbraw/zinc/81/38/47/410813847.db2.gz FUZISWZFDOCUMR-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000301851329 410813851 /nfs/dbraw/zinc/81/38/51/410813851.db2.gz FUZISWZFDOCUMR-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330649744 410850141 /nfs/dbraw/zinc/85/01/41/410850141.db2.gz JELPDOFQFIXSMW-KYOSRNDESA-N 1 1 310.350 1.037 20 5 DDBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@@H+]1C ZINC000343962359 410850401 /nfs/dbraw/zinc/85/04/01/410850401.db2.gz BXKSCESVHMZYQB-MFKMUULPSA-N 1 1 313.379 1.356 20 5 DDBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC[N@H+]1C ZINC000343962359 410850408 /nfs/dbraw/zinc/85/04/08/410850408.db2.gz BXKSCESVHMZYQB-MFKMUULPSA-N 1 1 313.379 1.356 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000344044936 410918469 /nfs/dbraw/zinc/91/84/69/410918469.db2.gz XVGBWYJJIGANLG-GLQYFDAESA-N 1 1 319.361 1.626 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341187159 410923358 /nfs/dbraw/zinc/92/33/58/410923358.db2.gz CGVZSRHUSOHKHF-OCCSQVGLSA-N 1 1 320.393 1.919 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000341187158 410924255 /nfs/dbraw/zinc/92/42/55/410924255.db2.gz CGVZSRHUSOHKHF-JSGCOSHPSA-N 1 1 320.393 1.919 20 5 DDBDMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000353774885 411128372 /nfs/dbraw/zinc/12/83/72/411128372.db2.gz JIAWSDCAUJVRPY-RYWCDNDXSA-N 1 1 324.402 1.975 20 5 DDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000353774885 411128374 /nfs/dbraw/zinc/12/83/74/411128374.db2.gz JIAWSDCAUJVRPY-RYWCDNDXSA-N 1 1 324.402 1.975 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cnn1C ZINC000353727399 411119168 /nfs/dbraw/zinc/11/91/68/411119168.db2.gz ZNSGQIXYOJSAFM-CYBMUJFWSA-N 1 1 316.365 1.718 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC000580346127 422922526 /nfs/dbraw/zinc/92/25/26/422922526.db2.gz XETCAUALIUVEJR-LLVKDONJSA-N 1 1 323.328 1.305 20 5 DDBDMO O=C1NC(=O)[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000366571587 418492643 /nfs/dbraw/zinc/49/26/43/418492643.db2.gz XVCOUZARXKHXIS-UXOHQCDBSA-N 1 1 315.329 1.203 20 5 DDBDMO COc1cc(OCC(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000195187013 418554959 /nfs/dbraw/zinc/55/49/59/418554959.db2.gz VEQLIKBXTPNMSS-NSHDSACASA-N 1 1 323.349 1.193 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4nonc43)C[C@H]21 ZINC000375050721 418596067 /nfs/dbraw/zinc/59/60/67/418596067.db2.gz SFDVBJDHPQAUOU-JOYOIKCWSA-N 1 1 303.322 1.661 20 5 DDBDMO CC1(C)[C@@H](O)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361414270 418648000 /nfs/dbraw/zinc/64/80/00/418648000.db2.gz ILSFYHKNTIMSRU-FZMZJTMJSA-N 1 1 310.350 1.180 20 5 DDBDMO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362574 418636108 /nfs/dbraw/zinc/63/61/08/418636108.db2.gz TYPVGOVIHFKGSI-RYUDHWBXSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362574 418636112 /nfs/dbraw/zinc/63/61/12/418636112.db2.gz TYPVGOVIHFKGSI-RYUDHWBXSA-N 1 1 307.350 1.951 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000386438226 418740279 /nfs/dbraw/zinc/74/02/79/418740279.db2.gz PIWDYMCHBBJYFG-QMMMGPOBSA-N 1 1 321.175 1.255 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000365417814 418858531 /nfs/dbraw/zinc/85/85/31/418858531.db2.gz BVNCIQQSPXFFRU-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CCC[N@@H+]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000365417814 418858534 /nfs/dbraw/zinc/85/85/34/418858534.db2.gz BVNCIQQSPXFFRU-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000365417814 418858537 /nfs/dbraw/zinc/85/85/37/418858537.db2.gz BVNCIQQSPXFFRU-UHFFFAOYSA-N 1 1 309.370 1.438 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000372351425 418860615 /nfs/dbraw/zinc/86/06/15/418860615.db2.gz RXXQAWZWGBXOIU-NWANDNLSSA-N 1 1 321.377 1.502 20 5 DDBDMO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412093747 419654005 /nfs/dbraw/zinc/65/40/05/419654005.db2.gz WPIXOVYHDZAWFK-CYBMUJFWSA-N 1 1 321.377 1.963 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC(F)(F)C[NH3+] ZINC000415508161 420094444 /nfs/dbraw/zinc/09/44/44/420094444.db2.gz UQRJQVVALWRWBC-UHFFFAOYSA-N 1 1 304.253 1.319 20 5 DDBDMO COc1ccc(OCCN[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420359693 420233865 /nfs/dbraw/zinc/23/38/65/420233865.db2.gz KCIBSYUEHQMUFX-HNNXBMFYSA-N 1 1 323.393 1.960 20 5 DDBDMO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423959074 420284411 /nfs/dbraw/zinc/28/44/11/420284411.db2.gz RCQPTLPBJCXXGR-LLVKDONJSA-N 1 1 305.338 1.574 20 5 DDBDMO C[NH+](C)C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000416303013 420319599 /nfs/dbraw/zinc/31/95/99/420319599.db2.gz QFQUKTVWOQTJHP-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000302151321 230127220 /nfs/dbraw/zinc/12/72/20/230127220.db2.gz KNIVTLZOSHLDHG-UHFFFAOYSA-N 1 1 321.381 1.832 20 5 DDBDMO CNc1nc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000454921241 420943414 /nfs/dbraw/zinc/94/34/14/420943414.db2.gz IIBVGGFIJGPVST-SNVBAGLBSA-N 1 1 319.365 1.246 20 5 DDBDMO CNc1nc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456017550 421089388 /nfs/dbraw/zinc/08/93/88/421089388.db2.gz ZBKHHBNCDGUFIE-NXEZZACHSA-N 1 1 307.354 1.244 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489329048 421147623 /nfs/dbraw/zinc/14/76/23/421147623.db2.gz NNAFKHSEWHBWFH-NSHDSACASA-N 1 1 309.370 1.049 20 5 DDBDMO NC(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489939525 421180739 /nfs/dbraw/zinc/18/07/39/421180739.db2.gz OYBBAMSOUOWQAV-JTQLQIEISA-N 1 1 301.306 1.317 20 5 DDBDMO Cc1nc(N2CC[NH+](CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450361582 421188426 /nfs/dbraw/zinc/18/84/26/421188426.db2.gz CWTGHBIBXCSHLV-UHFFFAOYSA-N 1 1 309.370 1.240 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000525727208 421298664 /nfs/dbraw/zinc/29/86/64/421298664.db2.gz LBNDHBZBLDHKDG-LBPRGKRZSA-N 1 1 308.382 1.737 20 5 DDBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000526017655 421323685 /nfs/dbraw/zinc/32/36/85/421323685.db2.gz AHHKFDORPDCFIU-UHFFFAOYSA-N 1 1 315.333 1.972 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000548125582 421404058 /nfs/dbraw/zinc/40/40/58/421404058.db2.gz XLDPXAYESZUCKX-ZDUSSCGKSA-N 1 1 323.397 1.514 20 5 DDBDMO Cc1nnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000563011407 421437971 /nfs/dbraw/zinc/43/79/71/421437971.db2.gz JYQVQZAGVJDFPC-JTQLQIEISA-N 1 1 324.362 1.284 20 5 DDBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038781 421526408 /nfs/dbraw/zinc/52/64/08/421526408.db2.gz DDKKBKYNUHRGHA-ZDUSSCGKSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038781 421526409 /nfs/dbraw/zinc/52/64/09/421526409.db2.gz DDKKBKYNUHRGHA-ZDUSSCGKSA-N 1 1 323.393 1.361 20 5 DDBDMO CN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000551038781 421526410 /nfs/dbraw/zinc/52/64/10/421526410.db2.gz DDKKBKYNUHRGHA-ZDUSSCGKSA-N 1 1 323.393 1.361 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000517041145 421591167 /nfs/dbraw/zinc/59/11/67/421591167.db2.gz HEPDTQQGRJYVKG-AWEZNQCLSA-N 1 1 323.393 1.359 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000516157682 421531365 /nfs/dbraw/zinc/53/13/65/421531365.db2.gz RZKHWDOEDKQMDT-CQSZACIVSA-N 1 1 319.361 1.573 20 5 DDBDMO [NH3+]C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000519659631 421714305 /nfs/dbraw/zinc/71/43/05/421714305.db2.gz XIYRINPFFLKADM-CQSZACIVSA-N 1 1 305.378 1.782 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000557418462 421770147 /nfs/dbraw/zinc/77/01/47/421770147.db2.gz CSFQOPXABYETIL-GFCCVEGCSA-N 1 1 306.366 1.465 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000521144115 421774561 /nfs/dbraw/zinc/77/45/61/421774561.db2.gz TYNOLPDMRHQNHS-GFCCVEGCSA-N 1 1 308.382 1.784 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521500316 421790884 /nfs/dbraw/zinc/79/08/84/421790884.db2.gz IODUYKAPUUEBDP-SNVBAGLBSA-N 1 1 323.349 1.784 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000543141263 421833981 /nfs/dbraw/zinc/83/39/81/421833981.db2.gz USEHCVPIPDLEBB-BFHYXJOUSA-N 1 1 324.377 1.427 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000576767207 422377289 /nfs/dbraw/zinc/37/72/89/422377289.db2.gz IADUOLKKZAONQL-LBPRGKRZSA-N 1 1 324.381 1.910 20 5 DDBDMO Nc1ncc2c(n1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598947783 422400867 /nfs/dbraw/zinc/40/08/67/422400867.db2.gz MQVPPZAACYJGON-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO Nc1ncc2c(n1)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000598947783 422400872 /nfs/dbraw/zinc/40/08/72/422400872.db2.gz MQVPPZAACYJGON-UHFFFAOYSA-N 1 1 315.333 1.404 20 5 DDBDMO COCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273959482 274026968 /nfs/dbraw/zinc/02/69/68/274026968.db2.gz FPLHIAZRHDZEGU-UHFFFAOYSA-N 1 1 319.365 1.630 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000299569158 277056552 /nfs/dbraw/zinc/05/65/52/277056552.db2.gz TWYBBGBPBNPAGH-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO C[N@H+]1CCO[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000284887871 277129973 /nfs/dbraw/zinc/12/99/73/277129973.db2.gz GWNNXUMCCNJIDR-KGLIPLIRSA-N 1 1 317.349 1.380 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193946099 277242090 /nfs/dbraw/zinc/24/20/90/277242090.db2.gz IJMXKFNWBQQLEV-LLVKDONJSA-N 1 1 322.321 1.461 20 5 DDBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193946099 277242092 /nfs/dbraw/zinc/24/20/92/277242092.db2.gz IJMXKFNWBQQLEV-LLVKDONJSA-N 1 1 322.321 1.461 20 5 DDBDMO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000237693137 278438683 /nfs/dbraw/zinc/43/86/83/278438683.db2.gz KBKFIZPHEUMGRY-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364037511 300336883 /nfs/dbraw/zinc/33/68/83/300336883.db2.gz AUDMSVYTBQDMMM-CHWSQXEVSA-N 1 1 321.381 1.233 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364173982 300353634 /nfs/dbraw/zinc/35/36/34/300353634.db2.gz KKHOUPHJNCJFPF-AJNGGQMLSA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364173982 300353637 /nfs/dbraw/zinc/35/36/37/300353637.db2.gz KKHOUPHJNCJFPF-AJNGGQMLSA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364173982 300353639 /nfs/dbraw/zinc/35/36/39/300353639.db2.gz KKHOUPHJNCJFPF-AJNGGQMLSA-N 1 1 318.377 1.198 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364262036 300364376 /nfs/dbraw/zinc/36/43/76/300364376.db2.gz ABKZKETVDUKCGJ-CYBMUJFWSA-N 1 1 323.393 1.634 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364264770 300364658 /nfs/dbraw/zinc/36/46/58/300364658.db2.gz OQADNCCOVMERCJ-UHFFFAOYSA-N 1 1 307.394 1.873 20 5 DDBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378309034 302310722 /nfs/dbraw/zinc/31/07/22/302310722.db2.gz AVKNPLGGCLLCHB-SNVBAGLBSA-N 1 1 318.337 1.382 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140710 303276574 /nfs/dbraw/zinc/27/65/74/303276574.db2.gz RZPWBCMYSSKWNN-RYUDHWBXSA-N 1 1 306.366 1.840 20 5 DDBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000363593318 307032240 /nfs/dbraw/zinc/03/22/40/307032240.db2.gz XYTZNWXWUQWIMD-ZIAGYGMSSA-N 1 1 321.381 1.267 20 5 DDBDMO C[N@H+]1CCCC12CCN(C(=O)c1cccc([N+](=O)[O-])c1N)CC2 ZINC000364912870 307053814 /nfs/dbraw/zinc/05/38/14/307053814.db2.gz BWGRXZXANJIQCX-UHFFFAOYSA-N 1 1 318.377 1.877 20 5 DDBDMO C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440809 307149767 /nfs/dbraw/zinc/14/97/67/307149767.db2.gz UIFZCKVGGOWFDQ-JSGCOSHPSA-N 1 1 308.382 1.664 20 5 DDBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000391175259 307294210 /nfs/dbraw/zinc/29/42/10/307294210.db2.gz HRPZVBSLVSJZTF-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO CC(C)O[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564915081 308011899 /nfs/dbraw/zinc/01/18/99/308011899.db2.gz AUPUACRPYZFQNR-UONOGXRCSA-N 1 1 324.377 1.834 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000565174950 308023326 /nfs/dbraw/zinc/02/33/26/308023326.db2.gz UPIYRRWJLWRCIX-INIZCTEOSA-N 1 1 305.378 1.891 20 5 DDBDMO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773015 308201984 /nfs/dbraw/zinc/20/19/84/308201984.db2.gz VNCBMWOVCGFFFK-VXGBXAGGSA-N 1 1 306.366 1.735 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CC(C)(C)C1 ZINC000580568455 308615347 /nfs/dbraw/zinc/61/53/47/308615347.db2.gz HDUYGQCIAYOJEY-UHFFFAOYSA-N 1 1 305.378 1.938 20 5 DDBDMO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361706 332353622 /nfs/dbraw/zinc/35/36/22/332353622.db2.gz PNXLTCHCCYVXKF-JSGCOSHPSA-N 1 1 324.377 1.365 20 5 DDBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583361706 332353624 /nfs/dbraw/zinc/35/36/24/332353624.db2.gz PNXLTCHCCYVXKF-JSGCOSHPSA-N 1 1 324.377 1.365 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000421020756 484111047 /nfs/dbraw/zinc/11/10/47/484111047.db2.gz OMAOPEGOJYWBOE-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000421020756 484111055 /nfs/dbraw/zinc/11/10/55/484111055.db2.gz OMAOPEGOJYWBOE-ZWNOBZJWSA-N 1 1 318.333 1.990 20 5 DDBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000459575336 526525876 /nfs/dbraw/zinc/52/58/76/526525876.db2.gz FJAAWLOTPGMXLO-OAHLLOKOSA-N 1 1 324.381 1.845 20 5 DDBDMO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000158397177 527210926 /nfs/dbraw/zinc/21/09/26/527210926.db2.gz AHWGPOIKBLMUSP-JOYOIKCWSA-N 1 1 317.349 1.718 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330871263 527845847 /nfs/dbraw/zinc/84/58/47/527845847.db2.gz XSUDTOOPBUQWDR-LLVKDONJSA-N 1 1 321.381 1.376 20 5 DDBDMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000292386971 527900393 /nfs/dbraw/zinc/90/03/93/527900393.db2.gz ZLZULTAGWZBONX-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO COCC[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000139654258 696864594 /nfs/dbraw/zinc/86/45/94/696864594.db2.gz LJCLACKJSNAHMI-UHFFFAOYSA-N 1 1 305.338 1.011 20 5 DDBDMO CC(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981763301 696906531 /nfs/dbraw/zinc/90/65/31/696906531.db2.gz GFPXZVZKXXYIDP-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981763301 696906533 /nfs/dbraw/zinc/90/65/33/696906533.db2.gz GFPXZVZKXXYIDP-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981763301 696906536 /nfs/dbraw/zinc/90/65/36/696906536.db2.gz GFPXZVZKXXYIDP-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO C[N@@H+](Cc1ccccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431193 697510086 /nfs/dbraw/zinc/51/00/86/697510086.db2.gz NGHHDTFIOPVPPU-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[N@H+](Cc1ccccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431193 697510088 /nfs/dbraw/zinc/51/00/88/697510088.db2.gz NGHHDTFIOPVPPU-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[N@@H+](Cc1ccccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431193 697510089 /nfs/dbraw/zinc/51/00/89/697510089.db2.gz NGHHDTFIOPVPPU-HUUCEWRRSA-N 1 1 318.377 1.170 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000194739393 697720110 /nfs/dbraw/zinc/72/01/10/697720110.db2.gz ORHZDCLZAPYEOB-SNVBAGLBSA-N 1 1 308.294 1.327 20 5 DDBDMO C[N@@H+](CCN1CCCC1=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581997 698121062 /nfs/dbraw/zinc/12/10/62/698121062.db2.gz LHMCJNPEEMDIHA-AWEZNQCLSA-N 1 1 307.350 1.182 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857804 698144248 /nfs/dbraw/zinc/14/42/48/698144248.db2.gz NCGWNULFYVHVQS-RISCZKNCSA-N 1 1 323.393 1.863 20 5 DDBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000776857804 698144249 /nfs/dbraw/zinc/14/42/49/698144249.db2.gz NCGWNULFYVHVQS-RISCZKNCSA-N 1 1 323.393 1.863 20 5 DDBDMO COCCO[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245923262 698341015 /nfs/dbraw/zinc/34/10/15/698341015.db2.gz SYZLMZACQIPKTC-JKSUJKDBSA-N 1 1 324.377 1.756 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000779865023 698476339 /nfs/dbraw/zinc/47/63/39/698476339.db2.gz KATDFXIVIBALIU-LBPRGKRZSA-N 1 1 304.354 1.355 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000779865023 698476340 /nfs/dbraw/zinc/47/63/40/698476340.db2.gz KATDFXIVIBALIU-LBPRGKRZSA-N 1 1 304.354 1.355 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961841 698666386 /nfs/dbraw/zinc/66/63/86/698666386.db2.gz JQDUYENKQWAOEK-LSDHHAIUSA-N 1 1 310.350 1.366 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786967334 699183661 /nfs/dbraw/zinc/18/36/61/699183661.db2.gz VSBYVKLTXRQEJQ-UHFFFAOYSA-N 1 1 317.349 1.927 20 5 DDBDMO COC(=O)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000787247959 699200019 /nfs/dbraw/zinc/20/00/19/699200019.db2.gz VTIRFWYJRVRZCZ-ZWNOBZJWSA-N 1 1 318.333 1.785 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000787247959 699200020 /nfs/dbraw/zinc/20/00/20/699200020.db2.gz VTIRFWYJRVRZCZ-ZWNOBZJWSA-N 1 1 318.333 1.785 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000725789938 699333976 /nfs/dbraw/zinc/33/39/76/699333976.db2.gz SKJKQCXQAGPADY-SECBINFHSA-N 1 1 307.310 1.264 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c3nonc32)CCO1 ZINC000725789938 699333979 /nfs/dbraw/zinc/33/39/79/699333979.db2.gz SKJKQCXQAGPADY-SECBINFHSA-N 1 1 307.310 1.264 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000730733780 699514741 /nfs/dbraw/zinc/51/47/41/699514741.db2.gz OBFJHKYNSULUQM-GFCCVEGCSA-N 1 1 324.406 1.602 20 5 DDBDMO C[N@H+](C[C@H]1CCCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626927 699819868 /nfs/dbraw/zinc/81/98/68/699819868.db2.gz YKIJUZRTWAGJFZ-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO C[N@@H+](C[C@H]1CCCOC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626927 699819871 /nfs/dbraw/zinc/81/98/71/699819871.db2.gz YKIJUZRTWAGJFZ-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO CC(C)[N@@H+](CCOCCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801994006 700362850 /nfs/dbraw/zinc/36/28/50/700362850.db2.gz VMODWNSIPHPMNJ-OAHLLOKOSA-N 1 1 312.366 1.348 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000761075341 700839837 /nfs/dbraw/zinc/83/98/37/700839837.db2.gz FGXWOGKERPBQMX-LLVKDONJSA-N 1 1 322.365 1.178 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000762814240 700908363 /nfs/dbraw/zinc/90/83/63/700908363.db2.gz BFZJTXSPQZFYPV-QMMMGPOBSA-N 1 1 321.362 1.376 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000762814240 700908364 /nfs/dbraw/zinc/90/83/64/700908364.db2.gz BFZJTXSPQZFYPV-QMMMGPOBSA-N 1 1 321.362 1.376 20 5 DDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000767179301 701088511 /nfs/dbraw/zinc/08/85/11/701088511.db2.gz SQBQNZUJHPPKOU-JTQLQIEISA-N 1 1 311.769 1.953 20 5 DDBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000767179301 701088514 /nfs/dbraw/zinc/08/85/14/701088514.db2.gz SQBQNZUJHPPKOU-JTQLQIEISA-N 1 1 311.769 1.953 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000771987824 701339455 /nfs/dbraw/zinc/33/94/55/701339455.db2.gz XHPLQFRODKKBJF-UHFFFAOYSA-N 1 1 318.333 1.779 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839669760 701775121 /nfs/dbraw/zinc/77/51/21/701775121.db2.gz DUIBIMZAIFGEDH-RBSFLKMASA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839669760 701775125 /nfs/dbraw/zinc/77/51/25/701775125.db2.gz DUIBIMZAIFGEDH-RBSFLKMASA-N 1 1 309.410 1.813 20 5 DDBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839669760 701775129 /nfs/dbraw/zinc/77/51/29/701775129.db2.gz DUIBIMZAIFGEDH-RBSFLKMASA-N 1 1 309.410 1.813 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840178184 702014690 /nfs/dbraw/zinc/01/46/90/702014690.db2.gz MUJIVPDTSUBCLR-LBPRGKRZSA-N 1 1 317.349 1.312 20 5 DDBDMO CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000869240243 702527535 /nfs/dbraw/zinc/52/75/35/702527535.db2.gz YKTQGIPMKXJAJE-GFCCVEGCSA-N 1 1 309.341 1.829 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000842831983 702781216 /nfs/dbraw/zinc/78/12/16/702781216.db2.gz RBAKTGUMUXOBEL-CYBMUJFWSA-N 1 1 324.381 1.845 20 5 DDBDMO CCN(OC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843429766 702880244 /nfs/dbraw/zinc/88/02/44/702880244.db2.gz BGSQMCGDHAKVKH-UHFFFAOYSA-N 1 1 301.730 1.748 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531858 706711076 /nfs/dbraw/zinc/71/10/76/706711076.db2.gz MFKDWKKAUYXLPE-WQAKAFBOSA-N 1 1 303.318 1.202 20 5 DDBDMO C[C@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844963579 703090887 /nfs/dbraw/zinc/09/08/87/703090887.db2.gz JFURKVWDHVTEEP-FMKPAKJESA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000844963579 703090889 /nfs/dbraw/zinc/09/08/89/703090889.db2.gz JFURKVWDHVTEEP-FMKPAKJESA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844963579 703090892 /nfs/dbraw/zinc/09/08/92/703090892.db2.gz JFURKVWDHVTEEP-FMKPAKJESA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@@]1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844963580 703090958 /nfs/dbraw/zinc/09/09/58/703090958.db2.gz JFURKVWDHVTEEP-IIAWOOMASA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000844963580 703090961 /nfs/dbraw/zinc/09/09/61/703090961.db2.gz JFURKVWDHVTEEP-IIAWOOMASA-N 1 1 303.362 1.432 20 5 DDBDMO C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000844963580 703090963 /nfs/dbraw/zinc/09/09/63/703090963.db2.gz JFURKVWDHVTEEP-IIAWOOMASA-N 1 1 303.362 1.432 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846972749 703359096 /nfs/dbraw/zinc/35/90/96/703359096.db2.gz MMWKJAPOBYVRCG-HIFRSBDPSA-N 1 1 321.377 1.571 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869781039 703850665 /nfs/dbraw/zinc/85/06/65/703850665.db2.gz BWLBPPSUNVZVIA-LBPRGKRZSA-N 1 1 321.377 1.478 20 5 DDBDMO CCOC[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870897300 704161140 /nfs/dbraw/zinc/16/11/40/704161140.db2.gz BGUMDMIEIRNJSI-LRDDRELGSA-N 1 1 321.377 1.654 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821391164 704402748 /nfs/dbraw/zinc/40/27/48/704402748.db2.gz IMSRUJKUYJIPJF-ZDUSSCGKSA-N 1 1 315.801 1.993 20 5 DDBDMO C[C@@H]1C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)CO1 ZINC000855408682 704483244 /nfs/dbraw/zinc/48/32/44/704483244.db2.gz XLUVLXSAPZJMHP-VXGBXAGGSA-N 1 1 301.387 1.047 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)CO1 ZINC000855408682 704483245 /nfs/dbraw/zinc/48/32/45/704483245.db2.gz XLUVLXSAPZJMHP-VXGBXAGGSA-N 1 1 301.387 1.047 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859924612 705042742 /nfs/dbraw/zinc/04/27/42/705042742.db2.gz MLZGCFTWNYKWNT-NUEKZKHPSA-N 1 1 306.362 1.723 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874444555 705069071 /nfs/dbraw/zinc/06/90/71/705069071.db2.gz WTMKBNORHOWNLG-ZDUSSCGKSA-N 1 1 321.377 1.662 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000860161774 705119745 /nfs/dbraw/zinc/11/97/45/705119745.db2.gz MCGGARZODHFYMP-GHMZBOCLSA-N 1 1 319.317 1.028 20 5 DDBDMO COc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cccc1[N+](=O)[O-] ZINC000874830377 705189295 /nfs/dbraw/zinc/18/92/95/705189295.db2.gz RGOXYZHZWPMWFB-STQMWFEESA-N 1 1 319.361 1.912 20 5 DDBDMO Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(N)c([N+](=O)[O-])c1 ZINC000874839119 705194938 /nfs/dbraw/zinc/19/49/38/705194938.db2.gz TUIMWCDHTLGSAI-STQMWFEESA-N 1 1 318.377 1.794 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000824657289 705500727 /nfs/dbraw/zinc/50/07/27/705500727.db2.gz CHQXJGJTDFBRDW-LLVKDONJSA-N 1 1 309.370 1.089 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000827491049 706012967 /nfs/dbraw/zinc/01/29/67/706012967.db2.gz KSFJENDBGBOORI-CQSZACIVSA-N 1 1 306.366 1.589 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835298522 707216860 /nfs/dbraw/zinc/21/68/60/707216860.db2.gz VUKQEINRPZLLRJ-LBPRGKRZSA-N 1 1 302.371 1.474 20 5 DDBDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877817797 706223834 /nfs/dbraw/zinc/22/38/34/706223834.db2.gz AHNDVMZMKSNQHY-LLVKDONJSA-N 1 1 310.354 1.494 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829328398 706319930 /nfs/dbraw/zinc/31/99/30/706319930.db2.gz VALNMTDPNIBQGK-HNNXBMFYSA-N 1 1 319.361 1.396 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829621910 706368385 /nfs/dbraw/zinc/36/83/85/706368385.db2.gz CMPVOPIENZZLQQ-GFCCVEGCSA-N 1 1 315.414 1.126 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000830112625 706456816 /nfs/dbraw/zinc/45/68/16/706456816.db2.gz UIILPSNCEFOTFC-GWCFXTLKSA-N 1 1 309.341 1.875 20 5 DDBDMO COCC1([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000880186514 706904703 /nfs/dbraw/zinc/90/47/03/706904703.db2.gz ZXIGUZWCODHUPZ-ZDUSSCGKSA-N 1 1 324.377 1.835 20 5 DDBDMO COCC1([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000880188327 706905630 /nfs/dbraw/zinc/90/56/30/706905630.db2.gz ZRRIDAPKMZSRCO-UHFFFAOYSA-N 1 1 307.350 1.695 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436985 706975888 /nfs/dbraw/zinc/97/58/88/706975888.db2.gz DWCBGRPFGQCERA-UKRRQHHQSA-N 1 1 310.350 1.839 20 5 DDBDMO CN1CCCC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000872266960 707356614 /nfs/dbraw/zinc/35/66/14/707356614.db2.gz IUNSXZFYRPVYQN-GJZGRUSLSA-N 1 1 321.377 1.571 20 5 DDBDMO CC(=O)c1c(N[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881951649 707440877 /nfs/dbraw/zinc/44/08/77/707440877.db2.gz CQJJHYDEGIDSPS-LBPRGKRZSA-N 1 1 320.393 1.845 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(F)c1 ZINC000872758159 707587233 /nfs/dbraw/zinc/58/72/33/707587233.db2.gz PYZQOGQEIWIRKX-GXSJLCMTSA-N 1 1 313.304 1.518 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1nc2sccn2c1[N+](=O)[O-] ZINC000872779839 707596426 /nfs/dbraw/zinc/59/64/26/707596426.db2.gz IWZUHWKZZBEOFM-NXEZZACHSA-N 1 1 307.379 1.977 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000837445768 707650039 /nfs/dbraw/zinc/65/00/39/707650039.db2.gz GHHMUSAUABOYMT-GFCCVEGCSA-N 1 1 310.354 1.597 20 5 DDBDMO Cc1c(C[NH2+]CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873009598 707692580 /nfs/dbraw/zinc/69/25/80/707692580.db2.gz OYJVQGXOBRPMER-UHFFFAOYSA-N 1 1 306.410 1.630 20 5 DDBDMO C[N@@H+](CCNc1cccc(F)c1[N+](=O)[O-])CCOCCO ZINC000882952426 707868802 /nfs/dbraw/zinc/86/88/02/707868802.db2.gz UKWWJYRETUVPBM-UHFFFAOYSA-N 1 1 301.318 1.087 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000882959995 707873656 /nfs/dbraw/zinc/87/36/56/707873656.db2.gz WHYPWGYSSIIWOZ-SNVBAGLBSA-N 1 1 319.365 1.291 20 5 DDBDMO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000896612189 708096155 /nfs/dbraw/zinc/09/61/55/708096155.db2.gz IXSTZRZUVUBPMV-BNOWGMLFSA-N 1 1 318.377 1.859 20 5 DDBDMO CO[C@@H]1CCOC[C@H]1Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000897120674 708233380 /nfs/dbraw/zinc/23/33/80/708233380.db2.gz WIACRZGJDRPTFB-HUUCEWRRSA-N 1 1 303.318 1.781 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220811 708258819 /nfs/dbraw/zinc/25/88/19/708258819.db2.gz DKFGEXUUIIZGCJ-JKSUJKDBSA-N 1 1 305.378 1.939 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886204767 708714195 /nfs/dbraw/zinc/71/41/95/708714195.db2.gz PXFXQDOGCLSVPZ-CYBMUJFWSA-N 1 1 306.366 1.871 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000887931717 709168826 /nfs/dbraw/zinc/16/88/26/709168826.db2.gz FWMMTKURPZJCCV-WBMJQRKESA-N 1 1 303.362 1.927 20 5 DDBDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000900857851 709793979 /nfs/dbraw/zinc/79/39/79/709793979.db2.gz LUHKMQNRORLVFF-MRXNPFEDSA-N 1 1 321.377 1.100 20 5 DDBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105959 713132635 /nfs/dbraw/zinc/13/26/35/713132635.db2.gz XKHQFWOFKJFFJN-AAEUAGOBSA-N 1 1 322.390 1.299 20 5 DDBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000928105959 713132637 /nfs/dbraw/zinc/13/26/37/713132637.db2.gz XKHQFWOFKJFFJN-AAEUAGOBSA-N 1 1 322.390 1.299 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000891508900 710222549 /nfs/dbraw/zinc/22/25/49/710222549.db2.gz IFDBSKNCYIPGOQ-ZDUSSCGKSA-N 1 1 322.365 1.299 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000892621088 710471300 /nfs/dbraw/zinc/47/13/00/710471300.db2.gz GQGDETGODLIWQW-NSHDSACASA-N 1 1 310.354 1.379 20 5 DDBDMO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000928440064 713196835 /nfs/dbraw/zinc/19/68/35/713196835.db2.gz AMGROLIEJPFZIE-TVQRCGJNSA-N 1 1 311.769 2.000 20 5 DDBDMO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895247511 711464755 /nfs/dbraw/zinc/46/47/55/711464755.db2.gz VFFJIHKBBUNXPW-CABZTGNLSA-N 1 1 313.789 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896519871 711737180 /nfs/dbraw/zinc/73/71/80/711737180.db2.gz YPRMXKXJGZEQAI-ZDUSSCGKSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573171 712810851 /nfs/dbraw/zinc/81/08/51/712810851.db2.gz IKJUJDYLUOTIAH-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573171 712810853 /nfs/dbraw/zinc/81/08/53/712810853.db2.gz IKJUJDYLUOTIAH-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573171 712810855 /nfs/dbraw/zinc/81/08/55/712810855.db2.gz IKJUJDYLUOTIAH-UHFFFAOYSA-N 1 1 321.381 1.717 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000918332339 713537765 /nfs/dbraw/zinc/53/77/65/713537765.db2.gz KTXQEXHMQGDMEN-UHFFFAOYSA-N 1 1 303.322 1.502 20 5 DDBDMO Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000929118866 713550324 /nfs/dbraw/zinc/55/03/24/713550324.db2.gz VEYHYBDDYKSQKI-TXEJJXNPSA-N 1 1 304.350 1.929 20 5 DDBDMO Cc1nnc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000929154832 713557940 /nfs/dbraw/zinc/55/79/40/713557940.db2.gz SGACLMWSRYNLHH-UHFFFAOYSA-N 1 1 317.349 1.651 20 5 DDBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000930242417 713784948 /nfs/dbraw/zinc/78/49/48/713784948.db2.gz VMGUFYUBOVIQMK-ZDUSSCGKSA-N 1 1 301.350 1.928 20 5 DDBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000930242417 713784953 /nfs/dbraw/zinc/78/49/53/713784953.db2.gz VMGUFYUBOVIQMK-ZDUSSCGKSA-N 1 1 301.350 1.928 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC[N+](=O)[O-])C2 ZINC000930490220 713847984 /nfs/dbraw/zinc/84/79/84/713847984.db2.gz ZQWFHLUPEZOPAQ-HNNXBMFYSA-N 1 1 313.398 1.986 20 5 DDBDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC[N+](=O)[O-])C2 ZINC000930490220 713847988 /nfs/dbraw/zinc/84/79/88/713847988.db2.gz ZQWFHLUPEZOPAQ-HNNXBMFYSA-N 1 1 313.398 1.986 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931200235 714033534 /nfs/dbraw/zinc/03/35/34/714033534.db2.gz MMMMBJCODDHTFE-UHFFFAOYSA-N 1 1 302.334 1.635 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000931261543 714050806 /nfs/dbraw/zinc/05/08/06/714050806.db2.gz BBMUBXWZNBGAGJ-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO CN(C(=O)CN1[C@@H]2CC[C@H]1C[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000931393302 714082889 /nfs/dbraw/zinc/08/28/89/714082889.db2.gz GNEFXMVPGREDPT-GASCZTMLSA-N 1 1 318.377 1.336 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932132729 714267770 /nfs/dbraw/zinc/26/77/70/714267770.db2.gz NODASDDXWGJQEQ-ZDUSSCGKSA-N 1 1 318.381 1.713 20 5 DDBDMO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370495 714330964 /nfs/dbraw/zinc/33/09/64/714330964.db2.gz PHLSTBNHCOKJCQ-HLSYRSCKSA-N 1 1 323.393 1.311 20 5 DDBDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932631790 714370450 /nfs/dbraw/zinc/37/04/50/714370450.db2.gz IHOASLAQCSZGSF-GFCCVEGCSA-N 1 1 307.350 1.622 20 5 DDBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923497703 714378700 /nfs/dbraw/zinc/37/87/00/714378700.db2.gz CMVOTGKBZAZCKN-CHWSQXEVSA-N 1 1 320.393 1.474 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000933863677 714686219 /nfs/dbraw/zinc/68/62/19/714686219.db2.gz FZIWJLHNXNNTSM-UHFFFAOYSA-N 1 1 313.329 1.701 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933973523 714711746 /nfs/dbraw/zinc/71/17/46/714711746.db2.gz DVQXMJYUGXIRQV-LSDHHAIUSA-N 1 1 308.334 1.463 20 5 DDBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933973523 714711748 /nfs/dbraw/zinc/71/17/48/714711748.db2.gz DVQXMJYUGXIRQV-LSDHHAIUSA-N 1 1 308.334 1.463 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000934951506 714937270 /nfs/dbraw/zinc/93/72/70/714937270.db2.gz OUSWEQNSECMHQU-STQMWFEESA-N 1 1 321.381 1.042 20 5 DDBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000936027682 715145040 /nfs/dbraw/zinc/14/50/40/715145040.db2.gz PAQWOFXLXGNHNQ-LLVKDONJSA-N 1 1 311.386 1.336 20 5 DDBDMO Cc1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609669435 721903976 /nfs/dbraw/zinc/90/39/76/721903976.db2.gz DZNGPAYJKYVGRQ-ZDUSSCGKSA-N 1 1 306.366 1.599 20 5 DDBDMO CC(C)Oc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932222 742776453 /nfs/dbraw/zinc/77/64/53/742776453.db2.gz MXZAHMLEIIURNS-ZIAGYGMSSA-N 1 1 321.377 1.345 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107232699 749662105 /nfs/dbraw/zinc/66/21/05/749662105.db2.gz GBHNXZNCGKAPSW-SNAWJCMRSA-N 1 1 321.381 1.414 20 5 DDBDMO Cc1cncnc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169053206 762207898 /nfs/dbraw/zinc/20/78/98/762207898.db2.gz IEJSUKLVBVTMAX-BFHYXJOUSA-N 1 1 306.366 1.684 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170329525 766255125 /nfs/dbraw/zinc/25/51/25/766255125.db2.gz QMUMVGLMRRPMBG-MFKMUULPSA-N 1 1 307.350 1.484 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC001170329525 766255126 /nfs/dbraw/zinc/25/51/26/766255126.db2.gz QMUMVGLMRRPMBG-MFKMUULPSA-N 1 1 307.350 1.484 20 5 DDBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])cc1NC ZINC001170513993 767725608 /nfs/dbraw/zinc/72/56/08/767725608.db2.gz LVJDFTGABUAKJM-UHFFFAOYSA-N 1 1 321.337 1.254 20 5 DDBDMO CCOC(=O)C1=C(Nc2cc(C)c([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC001170515605 767739572 /nfs/dbraw/zinc/73/95/72/767739572.db2.gz LCUYZTPCFREUPM-UHFFFAOYSA-N 1 1 306.322 1.521 20 5 DDBDMO CCCC1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001132564481 768988591 /nfs/dbraw/zinc/98/85/91/768988591.db2.gz GJCTWZCKISUPMP-UHFFFAOYSA-N 1 1 323.397 1.505 20 5 DDBDMO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814369 769933865 /nfs/dbraw/zinc/93/38/65/769933865.db2.gz HUAQMZAHMVNHQA-LXTVHRRPSA-N 1 1 309.410 1.478 20 5 DDBDMO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814369 769933872 /nfs/dbraw/zinc/93/38/72/769933872.db2.gz HUAQMZAHMVNHQA-LXTVHRRPSA-N 1 1 309.410 1.478 20 5 DDBDMO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814369 769933882 /nfs/dbraw/zinc/93/38/82/769933882.db2.gz HUAQMZAHMVNHQA-LXTVHRRPSA-N 1 1 309.410 1.478 20 5 DDBDMO C[N@H+]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001135487047 771532421 /nfs/dbraw/zinc/53/24/21/771532421.db2.gz ORUSNBOSVSYUOH-UHFFFAOYSA-N 1 1 311.769 1.955 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001170898486 771898117 /nfs/dbraw/zinc/89/81/17/771898117.db2.gz OIEMRAQAFNCPPQ-SSDOTTSWSA-N 1 1 300.750 1.351 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1nccc(C)c1[N+](=O)[O-] ZINC001093770767 775067002 /nfs/dbraw/zinc/06/70/02/775067002.db2.gz HFZIMEMCZVKOAN-UHFFFAOYSA-N 1 1 323.397 1.558 20 5 DDBDMO Cc1cc(NCCNC(=O)C[N@H+](C)C2CCC2)ccc1[N+](=O)[O-] ZINC001094221877 775543991 /nfs/dbraw/zinc/54/39/91/775543991.db2.gz SKBJQHOMIXFFSC-UHFFFAOYSA-N 1 1 320.393 1.916 20 5 DDBDMO Cc1cnc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)o1 ZINC001267501348 838192948 /nfs/dbraw/zinc/19/29/48/838192948.db2.gz PVNDORHJBZEGEB-CHWSQXEVSA-N 1 1 324.381 1.365 20 5 DDBDMO Cc1cnc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)o1 ZINC001267501348 838192959 /nfs/dbraw/zinc/19/29/59/838192959.db2.gz PVNDORHJBZEGEB-CHWSQXEVSA-N 1 1 324.381 1.365 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001156591814 863170923 /nfs/dbraw/zinc/17/09/23/863170923.db2.gz ZGPLBJDQPAXIET-ZDUSSCGKSA-N 1 1 306.366 1.707 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001159789038 865525631 /nfs/dbraw/zinc/52/56/31/865525631.db2.gz PVGDLQYEYVQHJY-CYBMUJFWSA-N 1 1 302.338 1.487 20 5 DDBDMO CC(C)n1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC001336699802 869098412 /nfs/dbraw/zinc/09/84/12/869098412.db2.gz NHOOBGIMGHECBG-AWEZNQCLSA-N 1 1 305.338 1.590 20 5 DDBDMO COC(=O)c1cnc(N2CC[N@@H+](C(C)C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001165199234 869422221 /nfs/dbraw/zinc/42/22/21/869422221.db2.gz KUCSDRPBTUZJES-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO COc1cccc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001338084768 869791179 /nfs/dbraw/zinc/79/11/79/869791179.db2.gz SFRITYOSQOMIAC-YPMHNXCESA-N 1 1 308.382 1.650 20 5 DDBDMO CN(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC001338553535 870043356 /nfs/dbraw/zinc/04/33/56/870043356.db2.gz XUEVENUQZRSYCN-QLFBSQMISA-N 1 1 307.394 1.947 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC001226532904 882487930 /nfs/dbraw/zinc/48/79/30/882487930.db2.gz ZWODWSRBAVVAKU-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC001226532904 882487934 /nfs/dbraw/zinc/48/79/34/882487934.db2.gz ZWODWSRBAVVAKU-CYBMUJFWSA-N 1 1 308.334 1.897 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC001305873762 871307459 /nfs/dbraw/zinc/30/74/59/871307459.db2.gz KQCIQNDXWBBDPU-MVWJERBFSA-N 1 1 304.350 1.247 20 5 DDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340877176 871404482 /nfs/dbraw/zinc/40/44/82/871404482.db2.gz CRXZWLLICMCJAS-GRYCIOLGSA-N 1 1 310.402 1.555 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001308109349 871473330 /nfs/dbraw/zinc/47/33/30/871473330.db2.gz VMMLXNVERUDWHG-HIFRSBDPSA-N 1 1 321.377 1.428 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001308948985 871537951 /nfs/dbraw/zinc/53/79/51/871537951.db2.gz UWLVGWGTOVMINN-WMLDXEAASA-N 1 1 320.437 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001308948985 871537965 /nfs/dbraw/zinc/53/79/65/871537965.db2.gz UWLVGWGTOVMINN-WMLDXEAASA-N 1 1 320.437 1.936 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001347267441 874077837 /nfs/dbraw/zinc/07/78/37/874077837.db2.gz BCIJFOHTMSXORT-ZDUSSCGKSA-N 1 1 306.366 1.334 20 5 DDBDMO O=[N+]([O-])c1cnc(OC2CC[NH+](CCF)CC2)c2[nH]cnc21 ZINC001227692775 883136351 /nfs/dbraw/zinc/13/63/51/883136351.db2.gz CUTCDSXRACBXLV-UHFFFAOYSA-N 1 1 309.301 1.679 20 5 DDBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc[nH]c(=O)c1[N+](=O)[O-])C2 ZINC001228140096 883359863 /nfs/dbraw/zinc/35/98/63/883359863.db2.gz FXZZVGWZXFUSFN-URLYPYJESA-N 1 1 308.338 1.873 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)n1 ZINC001234879532 888236191 /nfs/dbraw/zinc/23/61/91/888236191.db2.gz QHOJMNAAGIZIAZ-AXTRIDKLSA-N 1 1 307.306 1.181 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)n1 ZINC001234879532 888236203 /nfs/dbraw/zinc/23/62/03/888236203.db2.gz QHOJMNAAGIZIAZ-AXTRIDKLSA-N 1 1 307.306 1.181 20 5 DDBDMO N[C@@]12CC[C@@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865055 892953981 /nfs/dbraw/zinc/95/39/81/892953981.db2.gz XVZNMKRVJWRGNR-CXAGYDPISA-N 1 1 316.405 1.987 20 5 DDBDMO N[C@@]12CC[C@@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865055 892953994 /nfs/dbraw/zinc/95/39/94/892953994.db2.gz XVZNMKRVJWRGNR-CXAGYDPISA-N 1 1 316.405 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H](O)[C@@H](F)C3)CC2)cc1 ZINC001254473526 896456373 /nfs/dbraw/zinc/45/63/73/896456373.db2.gz DOHGIKWDIXTXBH-LSDHHAIUSA-N 1 1 309.341 1.578 20 5 DDBDMO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596396 896520294 /nfs/dbraw/zinc/52/02/94/896520294.db2.gz CXYQEQFQJWGSPV-UKRRQHHQSA-N 1 1 308.309 1.649 20 5 DDBDMO COC(=O)[C@@]1(F)CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596396 896520301 /nfs/dbraw/zinc/52/03/01/896520301.db2.gz CXYQEQFQJWGSPV-UKRRQHHQSA-N 1 1 308.309 1.649 20 5 DDBDMO CC[N@H+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263415597 900605030 /nfs/dbraw/zinc/60/50/30/900605030.db2.gz HFMFGEIQCCKOEG-QWHCGFSZSA-N 1 1 324.429 1.802 20 5 DDBDMO Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001265843348 902478750 /nfs/dbraw/zinc/47/87/50/902478750.db2.gz ZJEIODMFQQQVBK-VXGBXAGGSA-N 1 1 312.395 1.055 20 5 DDBDMO CC(C)(O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438513 282083078 /nfs/dbraw/zinc/08/30/78/282083078.db2.gz BXARNSSQBODSOK-IUODEOHRSA-N 1 1 324.377 1.570 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000249264673 282139651 /nfs/dbraw/zinc/13/96/51/282139651.db2.gz IIKUBCRXERDDMB-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000249264673 282139656 /nfs/dbraw/zinc/13/96/56/282139656.db2.gz IIKUBCRXERDDMB-RISCZKNCSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000249264669 282139710 /nfs/dbraw/zinc/13/97/10/282139710.db2.gz IIKUBCRXERDDMB-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 ZINC000249264669 282139715 /nfs/dbraw/zinc/13/97/15/282139715.db2.gz IIKUBCRXERDDMB-FZMZJTMJSA-N 1 1 323.349 1.005 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272740 529465270 /nfs/dbraw/zinc/46/52/70/529465270.db2.gz YXKIKJUWEHJHEG-SNVBAGLBSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272740 529465273 /nfs/dbraw/zinc/46/52/73/529465273.db2.gz YXKIKJUWEHJHEG-SNVBAGLBSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000444272740 529465275 /nfs/dbraw/zinc/46/52/75/529465275.db2.gz YXKIKJUWEHJHEG-SNVBAGLBSA-N 1 1 307.354 1.189 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000272768232 210171882 /nfs/dbraw/zinc/17/18/82/210171882.db2.gz WYWNPNRHLXLBQG-ZWNOBZJWSA-N 1 1 305.338 1.548 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000272209566 282317249 /nfs/dbraw/zinc/31/72/49/282317249.db2.gz PXRNYWMHVZGYGQ-UWVGGRQHSA-N 1 1 307.379 1.834 20 5 DDBDMO Cn1cncc1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000459379237 233145249 /nfs/dbraw/zinc/14/52/49/233145249.db2.gz PDLGEGNAELSWTK-LBPRGKRZSA-N 1 1 316.365 1.452 20 5 DDBDMO C[C@@H]1CSCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181902554 186216665 /nfs/dbraw/zinc/21/66/65/186216665.db2.gz PZPFXNFINAYNEN-NEPJUHHUSA-N 1 1 312.391 1.772 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000026342642 352207992 /nfs/dbraw/zinc/20/79/92/352207992.db2.gz SNQDMJHBKJWJPA-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C)C1 ZINC000026342642 352207996 /nfs/dbraw/zinc/20/79/96/352207996.db2.gz SNQDMJHBKJWJPA-LBPRGKRZSA-N 1 1 307.350 1.953 20 5 DDBDMO C[N@@H+]1CCc2[nH]c(=NC(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000044904632 352396858 /nfs/dbraw/zinc/39/68/58/352396858.db2.gz IAIICSNIQRFTAI-UHFFFAOYSA-N 1 1 324.387 1.775 20 5 DDBDMO C[N@H+]1CCc2[nH]c(=NC(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000044904632 352396861 /nfs/dbraw/zinc/39/68/61/352396861.db2.gz IAIICSNIQRFTAI-UHFFFAOYSA-N 1 1 324.387 1.775 20 5 DDBDMO COc1cc(N2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000172760586 198146242 /nfs/dbraw/zinc/14/62/42/198146242.db2.gz KUEMXMZOSHRSBJ-UHFFFAOYSA-N 1 1 323.393 1.886 20 5 DDBDMO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N(C)C ZINC000056510402 352776403 /nfs/dbraw/zinc/77/64/03/352776403.db2.gz RSGZNGVCOOKSFB-UHFFFAOYSA-N 1 1 309.366 1.774 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000066048436 352975591 /nfs/dbraw/zinc/97/55/91/352975591.db2.gz OZOPUBBWRUZTAQ-JTQLQIEISA-N 1 1 320.353 1.057 20 5 DDBDMO C[C@@H](O)CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072713780 353210696 /nfs/dbraw/zinc/21/06/96/353210696.db2.gz HHDYVPXUJRPYAC-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000072713780 353210698 /nfs/dbraw/zinc/21/06/98/353210698.db2.gz HHDYVPXUJRPYAC-SECBINFHSA-N 1 1 315.757 1.889 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000174288533 198315207 /nfs/dbraw/zinc/31/52/07/198315207.db2.gz NNIFFYSRNKUJNV-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000174288533 198315209 /nfs/dbraw/zinc/31/52/09/198315209.db2.gz NNIFFYSRNKUJNV-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174329853 198319759 /nfs/dbraw/zinc/31/97/59/198319759.db2.gz UMHLTFHMGWLTJB-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174329853 198319761 /nfs/dbraw/zinc/31/97/61/198319761.db2.gz UMHLTFHMGWLTJB-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174334652 198321518 /nfs/dbraw/zinc/32/15/18/198321518.db2.gz SNABEVJSJGQKDA-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174334652 198321519 /nfs/dbraw/zinc/32/15/19/198321519.db2.gz SNABEVJSJGQKDA-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000079082814 353549524 /nfs/dbraw/zinc/54/95/24/353549524.db2.gz NGYMLHPJEPHNQS-UHFFFAOYSA-N 1 1 324.356 1.698 20 5 DDBDMO Cc1cc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000090146572 353791436 /nfs/dbraw/zinc/79/14/36/353791436.db2.gz FUZISWZFDOCUMR-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000090146572 353791438 /nfs/dbraw/zinc/79/14/38/353791438.db2.gz FUZISWZFDOCUMR-CHWSQXEVSA-N 1 1 306.366 1.963 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492817800 234604439 /nfs/dbraw/zinc/60/44/39/234604439.db2.gz LLNQYFOMDZVNNI-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000142976649 354146678 /nfs/dbraw/zinc/14/66/78/354146678.db2.gz DGZGOHQYWOZCRA-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCO)CC2CC2)c1 ZINC000143218682 354148532 /nfs/dbraw/zinc/14/85/32/354148532.db2.gz MAVGZPRZFQLEOU-AWEZNQCLSA-N 1 1 310.350 1.039 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000144479293 354154276 /nfs/dbraw/zinc/15/42/76/354154276.db2.gz UMISSTUGGPNSCQ-LLVKDONJSA-N 1 1 305.334 1.327 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587528830 354883585 /nfs/dbraw/zinc/88/35/85/354883585.db2.gz ZFSVRVLCWOZBNM-NSHDSACASA-N 1 1 308.382 1.812 20 5 DDBDMO CCOc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045423 355043577 /nfs/dbraw/zinc/04/35/77/355043577.db2.gz RZCDKFQHFUJLNX-JSGCOSHPSA-N 1 1 319.361 1.770 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332520334 235056376 /nfs/dbraw/zinc/05/63/76/235056376.db2.gz LWANRKTYVLBFAF-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332520334 235056381 /nfs/dbraw/zinc/05/63/81/235056381.db2.gz LWANRKTYVLBFAF-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO CN1C(=O)NCC12CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000591839057 355393854 /nfs/dbraw/zinc/39/38/54/355393854.db2.gz MNIPBZPARCFWCF-UHFFFAOYSA-N 1 1 310.379 1.646 20 5 DDBDMO C[C@@H]1CC2(C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592183077 355527929 /nfs/dbraw/zinc/52/79/29/355527929.db2.gz QZAUSFSTTUEVCZ-OCCSQVGLSA-N 1 1 324.381 1.043 20 5 DDBDMO CCCN(C(=O)c1[nH]nc(CC)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592830451 355706122 /nfs/dbraw/zinc/70/61/22/355706122.db2.gz FEGSWKWHMNSGHK-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000592830451 355706123 /nfs/dbraw/zinc/70/61/23/355706123.db2.gz FEGSWKWHMNSGHK-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592830451 355706126 /nfs/dbraw/zinc/70/61/26/355706126.db2.gz FEGSWKWHMNSGHK-JTQLQIEISA-N 1 1 309.370 1.437 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C(N)=O)C(C)(C)C)c1 ZINC000593017588 355771035 /nfs/dbraw/zinc/77/10/35/355771035.db2.gz IEWWALVDLJTHJT-GFCCVEGCSA-N 1 1 323.349 1.371 20 5 DDBDMO COC[C@H]1C[C@@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593066361 355785771 /nfs/dbraw/zinc/78/57/71/355785771.db2.gz MMBVZCKYSCOZFC-ZIAGYGMSSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC000593187838 355821303 /nfs/dbraw/zinc/82/13/03/355821303.db2.gz USWHIQWUFBGJCU-TUAOUCFPSA-N 1 1 309.370 1.121 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000593469043 355895286 /nfs/dbraw/zinc/89/52/86/355895286.db2.gz VCCAUWPCPOCVPW-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@H+]2CCOC[C@H]2C1 ZINC000593469043 355895290 /nfs/dbraw/zinc/89/52/90/355895290.db2.gz VCCAUWPCPOCVPW-CYBMUJFWSA-N 1 1 314.345 1.664 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594600566 356261316 /nfs/dbraw/zinc/26/13/16/356261316.db2.gz MFEFLQSWRUFQBP-CHWSQXEVSA-N 1 1 319.365 1.518 20 5 DDBDMO CC(C)Oc1nc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000594548772 356247819 /nfs/dbraw/zinc/24/78/19/356247819.db2.gz CRNJSSQLLXJVRS-GFCCVEGCSA-N 1 1 324.381 1.280 20 5 DDBDMO C[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CS1(=O)=O ZINC000594973894 356366853 /nfs/dbraw/zinc/36/68/53/356366853.db2.gz GGCMOLCDQFDRBM-SCZZXKLOSA-N 1 1 304.393 1.712 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595327869 356451182 /nfs/dbraw/zinc/45/11/82/356451182.db2.gz VJAMMJXPDBPUTI-GFCCVEGCSA-N 1 1 310.354 1.188 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[N+](=O)[O-] ZINC000595327869 356451187 /nfs/dbraw/zinc/45/11/87/356451187.db2.gz VJAMMJXPDBPUTI-GFCCVEGCSA-N 1 1 310.354 1.188 20 5 DDBDMO Cc1noc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000595339544 356455000 /nfs/dbraw/zinc/45/50/00/356455000.db2.gz YHLPEDCALJQYKN-LLVKDONJSA-N 1 1 305.338 1.689 20 5 DDBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595485257 356512118 /nfs/dbraw/zinc/51/21/18/356512118.db2.gz WWIQJBXZWJOXLD-LLVKDONJSA-N 1 1 310.354 1.772 20 5 DDBDMO CC(C)[N@@H+](C)C[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000595484440 356512815 /nfs/dbraw/zinc/51/28/15/356512815.db2.gz LCKAYEZTTVMDEM-HNNXBMFYSA-N 1 1 309.410 1.770 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595473632 356507292 /nfs/dbraw/zinc/50/72/92/356507292.db2.gz YMXSCOGSGWTFJE-CYBMUJFWSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595473632 356507297 /nfs/dbraw/zinc/50/72/97/356507297.db2.gz YMXSCOGSGWTFJE-CYBMUJFWSA-N 1 1 324.381 1.578 20 5 DDBDMO Cc1noc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480450 356510614 /nfs/dbraw/zinc/51/06/14/356510614.db2.gz KMVALUJLMYWVBN-NSHDSACASA-N 1 1 324.381 1.576 20 5 DDBDMO O=C1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000595521972 356532312 /nfs/dbraw/zinc/53/23/12/356532312.db2.gz HHNSATOMPDZWQN-TZMCWYRMSA-N 1 1 303.362 1.910 20 5 DDBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595695906 356612350 /nfs/dbraw/zinc/61/23/50/356612350.db2.gz JBFUFRFUZJUKGA-RISCZKNCSA-N 1 1 321.377 1.677 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595755407 356637140 /nfs/dbraw/zinc/63/71/40/356637140.db2.gz ADXYPANMRDXJOW-XHBSWPGZSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595871948 356686716 /nfs/dbraw/zinc/68/67/16/356686716.db2.gz IXWCYTFQLSDQEG-MEBBXXQBSA-N 1 1 307.350 1.144 20 5 DDBDMO CC[N@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618279326 363562011 /nfs/dbraw/zinc/56/20/11/363562011.db2.gz UJLHZAAOFNQXHT-UHFFFAOYSA-N 1 1 303.366 1.999 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596121321 356780926 /nfs/dbraw/zinc/78/09/26/356780926.db2.gz VOWBIKGRCJTAPC-LBPRGKRZSA-N 1 1 306.366 1.980 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596151942 356792647 /nfs/dbraw/zinc/79/26/47/356792647.db2.gz MYSZBNFUPDOZAV-GWCFXTLKSA-N 1 1 306.366 1.470 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596246846 356831192 /nfs/dbraw/zinc/83/11/92/356831192.db2.gz ILCPEOZZJREQFE-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO COc1cc(C[N@@H+]2CCC3(COC3)C2)c([N+](=O)[O-])cc1OC ZINC000597228165 357102722 /nfs/dbraw/zinc/10/27/22/357102722.db2.gz ALXIWTHGPJLQON-UHFFFAOYSA-N 1 1 308.334 1.834 20 5 DDBDMO COc1cc(C[N@H+]2CCC3(COC3)C2)c([N+](=O)[O-])cc1OC ZINC000597228165 357102726 /nfs/dbraw/zinc/10/27/26/357102726.db2.gz ALXIWTHGPJLQON-UHFFFAOYSA-N 1 1 308.334 1.834 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000598342332 357545122 /nfs/dbraw/zinc/54/51/22/357545122.db2.gz MDOCILWLKDQCNA-LLVKDONJSA-N 1 1 309.370 1.127 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000598511913 357610466 /nfs/dbraw/zinc/61/04/66/357610466.db2.gz UTWMPRFRLZQWBD-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000598511913 357610470 /nfs/dbraw/zinc/61/04/70/357610470.db2.gz UTWMPRFRLZQWBD-LBPRGKRZSA-N 1 1 315.333 1.322 20 5 DDBDMO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599568172 357976919 /nfs/dbraw/zinc/97/69/19/357976919.db2.gz QVEWEMFEVDZEMP-XHDPSFHLSA-N 1 1 308.334 1.920 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571623 357978983 /nfs/dbraw/zinc/97/89/83/357978983.db2.gz OAGMOXKFALISAH-LBPRGKRZSA-N 1 1 310.350 1.303 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599671894 358018746 /nfs/dbraw/zinc/01/87/46/358018746.db2.gz KIZSHVWGALSCCO-YUTCNCBUSA-N 1 1 310.350 1.037 20 5 DDBDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000599674048 358019629 /nfs/dbraw/zinc/01/96/29/358019629.db2.gz ZVBKDZUYMSRBLD-UHFFFAOYSA-N 1 1 309.366 1.677 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180545306 199174630 /nfs/dbraw/zinc/17/46/30/199174630.db2.gz WQRUBPNGLYTCSS-WDEREUQCSA-N 1 1 321.381 1.422 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860905 199220040 /nfs/dbraw/zinc/22/00/40/199220040.db2.gz RFYHUUHNTCHBKA-QWRGUYRKSA-N 1 1 310.350 1.815 20 5 DDBDMO C[C@H]1CO[C@H](CO)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131508 358415610 /nfs/dbraw/zinc/41/56/10/358415610.db2.gz ZMDDOVADHKCTCQ-JQWIXIFHSA-N 1 1 303.318 1.729 20 5 DDBDMO CCN(C)C(=O)[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601153517 358424159 /nfs/dbraw/zinc/42/41/59/358424159.db2.gz YTZSFHSIKZECCO-JTQLQIEISA-N 1 1 302.334 1.844 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@](O)(CO)C3)c2c1 ZINC000601173788 358433175 /nfs/dbraw/zinc/43/31/75/358433175.db2.gz HJDJZZQPMNDLCJ-OAHLLOKOSA-N 1 1 303.318 1.467 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777817 358691404 /nfs/dbraw/zinc/69/14/04/358691404.db2.gz LMZMPZYIYWHGGL-UKRRQHHQSA-N 1 1 307.350 1.013 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601973721 358761078 /nfs/dbraw/zinc/76/10/78/358761078.db2.gz JEGJAQTVKIUKNW-JTQLQIEISA-N 1 1 304.297 1.456 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601973721 358761081 /nfs/dbraw/zinc/76/10/81/358761081.db2.gz JEGJAQTVKIUKNW-JTQLQIEISA-N 1 1 304.297 1.456 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974806 358761303 /nfs/dbraw/zinc/76/13/03/358761303.db2.gz QWVNMJDSMURPLI-TXEJJXNPSA-N 1 1 305.334 1.420 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974806 358761306 /nfs/dbraw/zinc/76/13/06/358761306.db2.gz QWVNMJDSMURPLI-TXEJJXNPSA-N 1 1 305.334 1.420 20 5 DDBDMO COCC[N@@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545510 359037534 /nfs/dbraw/zinc/03/75/34/359037534.db2.gz DOGLWDAISKYDCI-NSHDSACASA-N 1 1 320.349 1.546 20 5 DDBDMO COCC[N@H+]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602545510 359037538 /nfs/dbraw/zinc/03/75/38/359037538.db2.gz DOGLWDAISKYDCI-NSHDSACASA-N 1 1 320.349 1.546 20 5 DDBDMO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c([N+](=O)[O-])n1 ZINC000602604892 359067718 /nfs/dbraw/zinc/06/77/18/359067718.db2.gz QNGBROMAIRYKDD-GFCCVEGCSA-N 1 1 324.381 1.346 20 5 DDBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602770036 359177598 /nfs/dbraw/zinc/17/75/98/359177598.db2.gz SRYOTZMEKIPJKB-CYBMUJFWSA-N 1 1 323.397 1.433 20 5 DDBDMO C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(C)(C)C ZINC000602873789 359257233 /nfs/dbraw/zinc/25/72/33/359257233.db2.gz LICVFUASNVVYBI-AWEZNQCLSA-N 1 1 322.409 1.419 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)c1 ZINC000602930989 359300891 /nfs/dbraw/zinc/30/08/91/359300891.db2.gz QHNPWBBGMVDCIT-RISCZKNCSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)C[C@H]2CO)c1 ZINC000602930989 359300896 /nfs/dbraw/zinc/30/08/96/359300896.db2.gz QHNPWBBGMVDCIT-RISCZKNCSA-N 1 1 322.361 1.974 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc(F)c3)CC2)n1 ZINC000603014856 359358218 /nfs/dbraw/zinc/35/82/18/359358218.db2.gz NFQFIYVDCLDNCV-UHFFFAOYSA-N 1 1 319.340 1.753 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)n1 ZINC000603146420 359435197 /nfs/dbraw/zinc/43/51/97/359435197.db2.gz UEVHZCVVQRGHAX-PHIMTYICSA-N 1 1 309.370 1.366 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)n1 ZINC000603146420 359435202 /nfs/dbraw/zinc/43/52/02/359435202.db2.gz UEVHZCVVQRGHAX-PHIMTYICSA-N 1 1 309.370 1.366 20 5 DDBDMO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000186935577 200034420 /nfs/dbraw/zinc/03/44/20/200034420.db2.gz OYBWMSRIWBFEHZ-QWRGUYRKSA-N 1 1 322.365 1.546 20 5 DDBDMO COc1cc(OCC(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000604460833 359752563 /nfs/dbraw/zinc/75/25/63/359752563.db2.gz BJGBKDWZTXLCMQ-NSHDSACASA-N 1 1 323.349 1.193 20 5 DDBDMO C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000618588306 363684099 /nfs/dbraw/zinc/68/40/99/363684099.db2.gz XCBNDNGXHGCPRH-ZANVPECISA-N 1 1 305.338 1.024 20 5 DDBDMO C[C@H](N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618588306 363684102 /nfs/dbraw/zinc/68/41/02/363684102.db2.gz XCBNDNGXHGCPRH-ZANVPECISA-N 1 1 305.338 1.024 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609268827 360285229 /nfs/dbraw/zinc/28/52/29/360285229.db2.gz DMCZXQSFKTUQII-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO C[C@@H](O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611268106 360683796 /nfs/dbraw/zinc/68/37/96/360683796.db2.gz LZQWOKGNIMBGSW-LLVKDONJSA-N 1 1 322.361 1.959 20 5 DDBDMO Cc1nn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611508421 360740701 /nfs/dbraw/zinc/74/07/01/360740701.db2.gz FYQBMAJBLHZOSG-AWEZNQCLSA-N 1 1 304.350 1.593 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000193474668 201056659 /nfs/dbraw/zinc/05/66/59/201056659.db2.gz FTCVCYRWSUSMEW-HNNXBMFYSA-N 1 1 318.333 1.077 20 5 DDBDMO O=C(C[N@H+]1CCC[C@H](O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293104437 223397639 /nfs/dbraw/zinc/39/76/39/223397639.db2.gz LGYUMQQDLOLVQJ-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCC[C@H](O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293104437 223397640 /nfs/dbraw/zinc/39/76/40/223397640.db2.gz LGYUMQQDLOLVQJ-AWEZNQCLSA-N 1 1 319.361 1.331 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC(CC[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000262155701 203214732 /nfs/dbraw/zinc/21/47/32/203214732.db2.gz ZJAIBUZBWARJMC-UHFFFAOYSA-N 1 1 323.397 1.732 20 5 DDBDMO CN(C)C(=O)NCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000350049648 284138108 /nfs/dbraw/zinc/13/81/08/284138108.db2.gz QLSJTQUSYRYXPU-SOFGYWHQSA-N 1 1 306.366 1.811 20 5 DDBDMO Cn1nccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534638 193266215 /nfs/dbraw/zinc/26/62/15/193266215.db2.gz JSQHMWIUQHYHNI-LLVKDONJSA-N 1 1 302.338 1.410 20 5 DDBDMO Cn1nccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534638 193266218 /nfs/dbraw/zinc/26/62/18/193266218.db2.gz JSQHMWIUQHYHNI-LLVKDONJSA-N 1 1 302.338 1.410 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000264588536 204012907 /nfs/dbraw/zinc/01/29/07/204012907.db2.gz AGBALUIXPMZWEF-UHFFFAOYSA-N 1 1 307.350 1.771 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274880640 212004604 /nfs/dbraw/zinc/00/46/04/212004604.db2.gz IHIYNZCBZHDCGN-JTQLQIEISA-N 1 1 308.338 1.300 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)c(O)co1 ZINC000282542285 217075116 /nfs/dbraw/zinc/07/51/16/217075116.db2.gz WDHIAVXDRFNVJC-UHFFFAOYSA-N 1 1 304.302 1.928 20 5 DDBDMO C[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282732798 217210109 /nfs/dbraw/zinc/21/01/09/217210109.db2.gz IOQTTZRMKMIPQD-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000282732798 217210111 /nfs/dbraw/zinc/21/01/11/217210111.db2.gz IOQTTZRMKMIPQD-QMMMGPOBSA-N 1 1 301.730 1.499 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266117248 205111061 /nfs/dbraw/zinc/11/10/61/205111061.db2.gz VJNCYNJWCOXLAV-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000266419201 205333432 /nfs/dbraw/zinc/33/34/32/205333432.db2.gz IKDZKBBSJWMWAF-GOEBONIOSA-N 1 1 316.361 1.772 20 5 DDBDMO CC[N@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288454411 220152172 /nfs/dbraw/zinc/15/21/72/220152172.db2.gz NYUSAFHNXIGABO-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000021010339 182260116 /nfs/dbraw/zinc/26/01/16/182260116.db2.gz RUIRQTMAKKFRRN-UHFFFAOYSA-N 1 1 319.770 1.151 20 5 DDBDMO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]c1 ZINC000267893677 206323523 /nfs/dbraw/zinc/32/35/23/206323523.db2.gz VHLLDBYUIZOIGC-UHFFFAOYSA-N 1 1 303.322 1.858 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000102488857 248243785 /nfs/dbraw/zinc/24/37/85/248243785.db2.gz JBLOXCFUHJLBRM-CYBMUJFWSA-N 1 1 323.397 1.256 20 5 DDBDMO CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104747408 194033633 /nfs/dbraw/zinc/03/36/33/194033633.db2.gz UXYNTEYXEOSPTL-NSHDSACASA-N 1 1 313.379 1.167 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000338671547 250084072 /nfs/dbraw/zinc/08/40/72/250084072.db2.gz GEYOJYZYKRYSKV-GFCCVEGCSA-N 1 1 309.366 1.984 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000339136977 250309780 /nfs/dbraw/zinc/30/97/80/250309780.db2.gz NVMKYTOOKRRBMK-GFCCVEGCSA-N 1 1 307.350 1.704 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000106394837 194205893 /nfs/dbraw/zinc/20/58/93/194205893.db2.gz XBYINHISQRDQHW-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106399646 194207364 /nfs/dbraw/zinc/20/73/64/194207364.db2.gz OBHOUASCBSUBMZ-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cn1nccc1C1=CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000285222049 218339529 /nfs/dbraw/zinc/33/95/29/218339529.db2.gz ANWHELCVYBZAIP-UHFFFAOYSA-N 1 1 302.338 1.314 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285275867 218362564 /nfs/dbraw/zinc/36/25/64/218362564.db2.gz IZERAXCPRRCZLS-HNNXBMFYSA-N 1 1 310.350 1.383 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000063812530 184289012 /nfs/dbraw/zinc/28/90/12/184289012.db2.gz YXKMTMHHGIWMSV-JTQLQIEISA-N 1 1 324.356 1.920 20 5 DDBDMO COCC[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269188498 207308126 /nfs/dbraw/zinc/30/81/26/207308126.db2.gz NNESYDCPXCYVKP-UHFFFAOYSA-N 1 1 323.349 1.141 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)CC1CC1 ZINC000352463825 285068251 /nfs/dbraw/zinc/06/82/51/285068251.db2.gz KZRXAPJTRLGPOD-UHFFFAOYSA-N 1 1 307.350 1.546 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270063298 208120691 /nfs/dbraw/zinc/12/06/91/208120691.db2.gz FPBBLVHPRAUKEW-LBPRGKRZSA-N 1 1 321.381 1.430 20 5 DDBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000270299523 208374933 /nfs/dbraw/zinc/37/49/33/208374933.db2.gz BHAZYHDAKRLMKN-UHFFFAOYSA-N 1 1 302.758 1.671 20 5 DDBDMO CNS(=O)(=O)CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549782 285133193 /nfs/dbraw/zinc/13/31/93/285133193.db2.gz HEFKSOWNRFIJPG-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000352617610 285176674 /nfs/dbraw/zinc/17/66/74/285176674.db2.gz GCIIOGMIHHLDDP-OAHLLOKOSA-N 1 1 307.325 1.836 20 5 DDBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000352617610 285176677 /nfs/dbraw/zinc/17/66/77/285176677.db2.gz GCIIOGMIHHLDDP-OAHLLOKOSA-N 1 1 307.325 1.836 20 5 DDBDMO NC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000157220172 197170842 /nfs/dbraw/zinc/17/08/42/197170842.db2.gz GZFLZUFREGUDQS-MRVPVSSYSA-N 1 1 315.276 1.503 20 5 DDBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000157220172 197170844 /nfs/dbraw/zinc/17/08/44/197170844.db2.gz GZFLZUFREGUDQS-MRVPVSSYSA-N 1 1 315.276 1.503 20 5 DDBDMO COCCCOCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000271546910 209001452 /nfs/dbraw/zinc/00/14/52/209001452.db2.gz XNPZIGDAVKAZAZ-UHFFFAOYSA-N 1 1 312.366 1.959 20 5 DDBDMO Cc1nn(CCC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000155300680 197041950 /nfs/dbraw/zinc/04/19/50/197041950.db2.gz XEDLJLCVBIWDKA-PHIMTYICSA-N 1 1 323.397 1.349 20 5 DDBDMO CC(C)NC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707525 285243746 /nfs/dbraw/zinc/24/37/46/285243746.db2.gz SKKVWHRYPNOAPY-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO CC(C)NC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707525 285243748 /nfs/dbraw/zinc/24/37/48/285243748.db2.gz SKKVWHRYPNOAPY-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO Cc1cnn([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000289843487 221264782 /nfs/dbraw/zinc/26/47/82/221264782.db2.gz KFXMEEWSOOKIJT-CYBMUJFWSA-N 1 1 317.349 1.208 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451578805 533417060 /nfs/dbraw/zinc/41/70/60/533417060.db2.gz XRDYSKLTIYLPEE-VNHYZAJKSA-N 1 1 324.377 1.691 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950686 533663724 /nfs/dbraw/zinc/66/37/24/533663724.db2.gz HZBXNAMLXDEURZ-KOLCDFICSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950686 533663731 /nfs/dbraw/zinc/66/37/31/533663731.db2.gz HZBXNAMLXDEURZ-KOLCDFICSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950686 533663740 /nfs/dbraw/zinc/66/37/40/533663740.db2.gz HZBXNAMLXDEURZ-KOLCDFICSA-N 1 1 307.354 1.325 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000331950686 533663744 /nfs/dbraw/zinc/66/37/44/533663744.db2.gz HZBXNAMLXDEURZ-KOLCDFICSA-N 1 1 307.354 1.325 20 5 DDBDMO CCN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000068127858 406617289 /nfs/dbraw/zinc/61/72/89/406617289.db2.gz AIRUSCUCCFPZMC-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000068960806 406671956 /nfs/dbraw/zinc/67/19/56/406671956.db2.gz GOTGOJQGQDLJOB-UHFFFAOYSA-N 1 1 321.786 1.478 20 5 DDBDMO O=C(NCCC[NH+]1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000074449682 406913005 /nfs/dbraw/zinc/91/30/05/406913005.db2.gz RFGCPNVZLPSUDX-UHFFFAOYSA-N 1 1 317.349 1.687 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000048269165 407093841 /nfs/dbraw/zinc/09/38/41/407093841.db2.gz RAFBWPXXIWETFP-BETUJISGSA-N 1 1 323.397 1.276 20 5 DDBDMO COC(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066832294 407260113 /nfs/dbraw/zinc/26/01/13/407260113.db2.gz DWCNBGDYVBCNCA-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000123020748 407316920 /nfs/dbraw/zinc/31/69/20/407316920.db2.gz XVOYURUXBRYZGF-UHFFFAOYSA-N 1 1 320.349 1.915 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCOCC1 ZINC000096921122 407275419 /nfs/dbraw/zinc/27/54/19/407275419.db2.gz KCZLARWHFJWTCJ-DAXSKMNVSA-N 1 1 319.361 1.447 20 5 DDBDMO Cc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000122351745 407298810 /nfs/dbraw/zinc/29/88/10/407298810.db2.gz CPHJQSSNVJPHGF-LBPRGKRZSA-N 1 1 317.349 1.659 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000111268395 407403718 /nfs/dbraw/zinc/40/37/18/407403718.db2.gz SRIISTRUSFWPRN-NSHDSACASA-N 1 1 307.350 1.561 20 5 DDBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000178516307 407478529 /nfs/dbraw/zinc/47/85/29/407478529.db2.gz LMTDELSNMWZXOZ-LLVKDONJSA-N 1 1 310.354 1.455 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000225339431 407579445 /nfs/dbraw/zinc/57/94/45/407579445.db2.gz YYYRYXHBJOWAGN-ZDUSSCGKSA-N 1 1 312.801 1.584 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncccc1[N+](=O)[O-] ZINC000130133645 407655256 /nfs/dbraw/zinc/65/52/56/407655256.db2.gz BWJOLOUMSXYQIQ-UHFFFAOYSA-N 1 1 308.382 1.784 20 5 DDBDMO C[N@@H+](CCc1cnccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271411918 407672923 /nfs/dbraw/zinc/67/29/23/407672923.db2.gz YZAFYWMULBOCTJ-OAHLLOKOSA-N 1 1 302.334 1.593 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000171730934 407751801 /nfs/dbraw/zinc/75/18/01/407751801.db2.gz WAWRXJKWWOFGMD-WDEREUQCSA-N 1 1 323.397 1.731 20 5 DDBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186934850 407799313 /nfs/dbraw/zinc/79/93/13/407799313.db2.gz XDMOSLODHHBDPO-LBPRGKRZSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187420974 407855973 /nfs/dbraw/zinc/85/59/73/407855973.db2.gz SSHADDZWKUMIAL-FZMZJTMJSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187420974 407855976 /nfs/dbraw/zinc/85/59/76/407855976.db2.gz SSHADDZWKUMIAL-FZMZJTMJSA-N 1 1 307.350 1.559 20 5 DDBDMO CC(C)NC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173470821 407882162 /nfs/dbraw/zinc/88/21/62/407882162.db2.gz XFEOEDCLGOGLQS-GFCCVEGCSA-N 1 1 321.381 1.391 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181185932 407960897 /nfs/dbraw/zinc/96/08/97/407960897.db2.gz BESGJGFMPCGNPP-GFCCVEGCSA-N 1 1 320.393 1.885 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272534061 407967563 /nfs/dbraw/zinc/96/75/63/407967563.db2.gz ISKRCRQNZQATHP-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000272534061 407967570 /nfs/dbraw/zinc/96/75/70/407967570.db2.gz ISKRCRQNZQATHP-ZYHUDNBSSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174613039 407969835 /nfs/dbraw/zinc/96/98/35/407969835.db2.gz XWXODMWXNBECOU-CHWSQXEVSA-N 1 1 321.377 1.512 20 5 DDBDMO CC[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174613039 407969840 /nfs/dbraw/zinc/96/98/40/407969840.db2.gz XWXODMWXNBECOU-CHWSQXEVSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000268253002 407970405 /nfs/dbraw/zinc/97/04/05/407970405.db2.gz XGELCMDOAKECKZ-IAQYHMDHSA-N 1 1 319.361 1.573 20 5 DDBDMO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272484570 407944658 /nfs/dbraw/zinc/94/46/58/407944658.db2.gz GLFQJUNRZQCMHM-UHFFFAOYSA-N 1 1 307.350 1.714 20 5 DDBDMO C[NH+]1CCC(O)(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273043224 408032804 /nfs/dbraw/zinc/03/28/04/408032804.db2.gz FHKPLJCQHNYLMS-UHFFFAOYSA-N 1 1 313.785 1.795 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000245694117 408045377 /nfs/dbraw/zinc/04/53/77/408045377.db2.gz MFYKRSUJKGYKQX-UONOGXRCSA-N 1 1 310.350 1.310 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000245694117 408045384 /nfs/dbraw/zinc/04/53/84/408045384.db2.gz MFYKRSUJKGYKQX-UONOGXRCSA-N 1 1 310.350 1.310 20 5 DDBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000136805962 408125113 /nfs/dbraw/zinc/12/51/13/408125113.db2.gz UIODTKGWPISSPQ-HIFRSBDPSA-N 1 1 322.361 1.903 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182207062 408092266 /nfs/dbraw/zinc/09/22/66/408092266.db2.gz NVWLNCNRYMMPAR-AGIUHOORSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182207062 408092270 /nfs/dbraw/zinc/09/22/70/408092270.db2.gz NVWLNCNRYMMPAR-AGIUHOORSA-N 1 1 310.350 1.444 20 5 DDBDMO Nc1ccc(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)c[nH+]1 ZINC000190322405 408219130 /nfs/dbraw/zinc/21/91/30/408219130.db2.gz HUNXGOQNWSGSQV-UHFFFAOYSA-N 1 1 306.351 1.355 20 5 DDBDMO CC1(C)[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000246728753 408328757 /nfs/dbraw/zinc/32/87/57/408328757.db2.gz LZVXWYKLBXHBOK-YUELXQCFSA-N 1 1 306.362 1.922 20 5 DDBDMO CC(C)C[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269372109 408286582 /nfs/dbraw/zinc/28/65/82/408286582.db2.gz MOYOPJAGJIUCAN-UHFFFAOYSA-N 1 1 323.397 1.855 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000269406729 408295687 /nfs/dbraw/zinc/29/56/87/408295687.db2.gz UPQBLPBJSMJJBC-JTQLQIEISA-N 1 1 321.381 1.655 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183221005 408358013 /nfs/dbraw/zinc/35/80/13/408358013.db2.gz RSAYSIBWSYZCBR-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000183221005 408358021 /nfs/dbraw/zinc/35/80/21/408358021.db2.gz RSAYSIBWSYZCBR-GHMZBOCLSA-N 1 1 323.349 1.245 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000172156114 162262030 /nfs/dbraw/zinc/26/20/30/162262030.db2.gz SAJIRDVHMFZYDU-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172300060 162269338 /nfs/dbraw/zinc/26/93/38/162269338.db2.gz NBQZMTASQYSEOB-ZDUSSCGKSA-N 1 1 310.350 1.447 20 5 DDBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COC1CCOCC1 ZINC000176424389 408362491 /nfs/dbraw/zinc/36/24/91/408362491.db2.gz DJAGHYGWORLLIB-CQSZACIVSA-N 1 1 324.377 1.583 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183592288 408448802 /nfs/dbraw/zinc/44/88/02/408448802.db2.gz RINZVZWMBSSBTM-NSHDSACASA-N 1 1 307.354 1.843 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000183612310 408454542 /nfs/dbraw/zinc/45/45/42/408454542.db2.gz SAYDBMBTINCZTD-YPMHNXCESA-N 1 1 319.365 1.938 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274495311 408426515 /nfs/dbraw/zinc/42/65/15/408426515.db2.gz CVKJKETUHILCLW-UHFFFAOYSA-N 1 1 320.349 1.120 20 5 DDBDMO COc1cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)ccc1O ZINC000177049857 408506566 /nfs/dbraw/zinc/50/65/66/408506566.db2.gz UVDBNELPIPVMEJ-UHFFFAOYSA-N 1 1 306.322 1.638 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248525013 408582082 /nfs/dbraw/zinc/58/20/82/408582082.db2.gz CMCIEMWMFLZBEV-WOPDTQHZSA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@H+]1CCCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000270569301 408584185 /nfs/dbraw/zinc/58/41/85/408584185.db2.gz VASDKLYKMUASMB-UHFFFAOYSA-N 1 1 306.366 1.484 20 5 DDBDMO COC(=O)[C@]1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177470817 408631126 /nfs/dbraw/zinc/63/11/26/408631126.db2.gz BZCHWPWFIKHAMC-OAHLLOKOSA-N 1 1 308.334 1.859 20 5 DDBDMO CC[N@H+]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000265466656 408661257 /nfs/dbraw/zinc/66/12/57/408661257.db2.gz HFVOEAYYINJYEI-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000193590294 408730981 /nfs/dbraw/zinc/73/09/81/408730981.db2.gz DKKRQMDZXYVUQJ-JTQLQIEISA-N 1 1 317.349 1.869 20 5 DDBDMO CN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000265650089 408732590 /nfs/dbraw/zinc/73/25/90/408732590.db2.gz NQUXQIHPOLCOHZ-ZDUSSCGKSA-N 1 1 320.349 1.086 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000185218613 408781631 /nfs/dbraw/zinc/78/16/31/408781631.db2.gz UENLCTLQARFHPN-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000251665690 408783476 /nfs/dbraw/zinc/78/34/76/408783476.db2.gz LGRKVBSWWMXUKK-QWRGUYRKSA-N 1 1 322.365 1.546 20 5 DDBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105834 408759868 /nfs/dbraw/zinc/75/98/68/408759868.db2.gz VCVIFEGTUZTYFE-YBTHPKLGSA-N 1 1 300.380 1.672 20 5 DDBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000251496177 408780498 /nfs/dbraw/zinc/78/04/98/408780498.db2.gz DMBWAIRPECDWNB-ZYHUDNBSSA-N 1 1 320.349 1.252 20 5 DDBDMO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797763 408834784 /nfs/dbraw/zinc/83/47/84/408834784.db2.gz PDQXNBHHDRBPMK-CYBMUJFWSA-N 1 1 308.334 1.631 20 5 DDBDMO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291885413 408939905 /nfs/dbraw/zinc/93/99/05/408939905.db2.gz QKEMPSZWWFGQGW-ZDUSSCGKSA-N 1 1 307.350 1.693 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000281853529 408941241 /nfs/dbraw/zinc/94/12/41/408941241.db2.gz YFCRBINJTOKGQG-UHFFFAOYSA-N 1 1 323.397 1.999 20 5 DDBDMO [NH3+]CC[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000281965688 408963150 /nfs/dbraw/zinc/96/31/50/408963150.db2.gz NJPUZKLEHYBWQA-JTQLQIEISA-N 1 1 317.349 1.672 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(c3ncc(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292814430 409041989 /nfs/dbraw/zinc/04/19/89/409041989.db2.gz OIFJRQOEHCUNEI-UONOGXRCSA-N 1 1 306.366 1.598 20 5 DDBDMO C[C@H](CCCC[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293530044 409131577 /nfs/dbraw/zinc/13/15/77/409131577.db2.gz UYFAFFRORYZZSC-SECBINFHSA-N 1 1 305.338 1.718 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278419419 409083904 /nfs/dbraw/zinc/08/39/04/409083904.db2.gz OMKHCQBQRAGJBZ-NSHDSACASA-N 1 1 306.366 1.066 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293987991 409221105 /nfs/dbraw/zinc/22/11/05/409221105.db2.gz NOCMVGYZXRWQDZ-AOOOYVTPSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293987991 409221108 /nfs/dbraw/zinc/22/11/08/409221108.db2.gz NOCMVGYZXRWQDZ-AOOOYVTPSA-N 1 1 309.370 1.606 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000293987991 409221112 /nfs/dbraw/zinc/22/11/12/409221112.db2.gz NOCMVGYZXRWQDZ-AOOOYVTPSA-N 1 1 309.370 1.606 20 5 DDBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC000283935894 409242682 /nfs/dbraw/zinc/24/26/82/409242682.db2.gz CVEJXBSMIXDHTC-UHFFFAOYSA-N 1 1 322.321 1.781 20 5 DDBDMO C[N@@H+]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294307628 409275588 /nfs/dbraw/zinc/27/55/88/409275588.db2.gz JAFZGVJELMYMRL-UHFFFAOYSA-N 1 1 319.361 1.722 20 5 DDBDMO C[N@H+]1CCCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294307628 409275591 /nfs/dbraw/zinc/27/55/91/409275591.db2.gz JAFZGVJELMYMRL-UHFFFAOYSA-N 1 1 319.361 1.722 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000320025599 164040095 /nfs/dbraw/zinc/04/00/95/164040095.db2.gz GNSFRGUAJRYJIG-AWEZNQCLSA-N 1 1 316.361 1.951 20 5 DDBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000363010928 164159710 /nfs/dbraw/zinc/15/97/10/164159710.db2.gz WMQJJUUMKRIUQF-LBPRGKRZSA-N 1 1 321.381 1.315 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290684380 409486337 /nfs/dbraw/zinc/48/63/37/409486337.db2.gz SUOMGKJCRMMDKA-MNOVXSKESA-N 1 1 321.381 1.621 20 5 DDBDMO C[C@@H](O)CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304305563 409602226 /nfs/dbraw/zinc/60/22/26/409602226.db2.gz JRSVQZPDZCJNEG-RISCZKNCSA-N 1 1 307.350 1.403 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000356891007 409691197 /nfs/dbraw/zinc/69/11/97/409691197.db2.gz WCVYAGCNCZKOSW-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354391102 409817385 /nfs/dbraw/zinc/81/73/85/409817385.db2.gz JUGUTTHEQTXFQQ-OLZOCXBDSA-N 1 1 323.397 1.513 20 5 DDBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000346657683 410062089 /nfs/dbraw/zinc/06/20/89/410062089.db2.gz LHCKZTKLSZRNRQ-SMDDNHRTSA-N 1 1 308.334 1.857 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000343041834 410096093 /nfs/dbraw/zinc/09/60/93/410096093.db2.gz GWXWIDCXVMUTNS-VIFPVBQESA-N 1 1 317.305 1.400 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357553300 410101817 /nfs/dbraw/zinc/10/18/17/410101817.db2.gz UCIKKZUYVMHIBQ-SNVBAGLBSA-N 1 1 307.354 1.375 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000346759158 410136572 /nfs/dbraw/zinc/13/65/72/410136572.db2.gz APHFVAVIVLZCLM-VXGBXAGGSA-N 1 1 323.397 1.468 20 5 DDBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCCC[C@@H]1C ZINC000351700902 410159585 /nfs/dbraw/zinc/15/95/85/410159585.db2.gz TUWAYWZQIUKYRJ-STQMWFEESA-N 1 1 323.397 1.561 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000339721819 410417272 /nfs/dbraw/zinc/41/72/72/410417272.db2.gz YPFODDBSGORYJY-MELADBBJSA-N 1 1 308.382 1.663 20 5 DDBDMO C[N@@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000355203928 410379141 /nfs/dbraw/zinc/37/91/41/410379141.db2.gz GCTAWQRYZWGVFE-UHFFFAOYSA-N 1 1 323.397 1.517 20 5 DDBDMO COC(=O)c1cc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)no1 ZINC000351997531 410401704 /nfs/dbraw/zinc/40/17/04/410401704.db2.gz RSGWEIBXJRDFEW-UHFFFAOYSA-N 1 1 323.309 1.091 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339781484 410453797 /nfs/dbraw/zinc/45/37/97/410453797.db2.gz YDYPPRRCIMALAK-HIFRSBDPSA-N 1 1 324.381 1.043 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000355322487 410442099 /nfs/dbraw/zinc/44/20/99/410442099.db2.gz RRTSYTVVIKUHLP-UHFFFAOYSA-N 1 1 319.361 1.742 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000299095443 410519265 /nfs/dbraw/zinc/51/92/65/410519265.db2.gz KKHRHEBXUSDUAU-VNQPRFMTSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000299095443 410519268 /nfs/dbraw/zinc/51/92/68/410519268.db2.gz KKHRHEBXUSDUAU-VNQPRFMTSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1cccc2ncnc(N3CCC[N@H+](CCO)CC3)c21 ZINC000347413296 410532829 /nfs/dbraw/zinc/53/28/29/410532829.db2.gz SMBGPMFMUMCIID-UHFFFAOYSA-N 1 1 317.349 1.042 20 5 DDBDMO CCC[N@@H+](CCO)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000299242123 410579772 /nfs/dbraw/zinc/57/97/72/410579772.db2.gz UYXFSMWWCLBPID-UHFFFAOYSA-N 1 1 309.366 1.936 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000299247948 410582802 /nfs/dbraw/zinc/58/28/02/410582802.db2.gz XWNOFEASLYBYQX-GFCCVEGCSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299247948 410582808 /nfs/dbraw/zinc/58/28/08/410582808.db2.gz XWNOFEASLYBYQX-GFCCVEGCSA-N 1 1 313.379 1.276 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000343645197 410592876 /nfs/dbraw/zinc/59/28/76/410592876.db2.gz TVCUNPWHGGQQOE-NSHDSACASA-N 1 1 309.370 1.415 20 5 DDBDMO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+](C)C1CC1 ZINC000347443773 410548696 /nfs/dbraw/zinc/54/86/96/410548696.db2.gz YVVHKDXWXNOGKY-SNVBAGLBSA-N 1 1 301.350 2.433 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000340098172 410673737 /nfs/dbraw/zinc/67/37/37/410673737.db2.gz VVPHIMVYLITDJU-GXTWGEPZSA-N 1 1 320.393 1.919 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000301087133 410652011 /nfs/dbraw/zinc/65/20/11/410652011.db2.gz FGKXYKZPYIVPPS-HNNXBMFYSA-N 1 1 321.425 1.982 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301096447 410656367 /nfs/dbraw/zinc/65/63/67/410656367.db2.gz GSZWSEQOBOPSSZ-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000347745998 410697427 /nfs/dbraw/zinc/69/74/27/410697427.db2.gz LFLAFXOOBXYZDV-LBPRGKRZSA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340168603 410720922 /nfs/dbraw/zinc/72/09/22/410720922.db2.gz SWJKQYHOQIVWLN-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000340168603 410720924 /nfs/dbraw/zinc/72/09/24/410720924.db2.gz SWJKQYHOQIVWLN-MJBXVCDLSA-N 1 1 324.377 1.752 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340207730 410752611 /nfs/dbraw/zinc/75/26/11/410752611.db2.gz YXGUXKLVGJFNPS-WDEREUQCSA-N 1 1 322.287 1.569 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340207730 410752618 /nfs/dbraw/zinc/75/26/18/410752618.db2.gz YXGUXKLVGJFNPS-WDEREUQCSA-N 1 1 322.287 1.569 20 5 DDBDMO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000330597687 410810328 /nfs/dbraw/zinc/81/03/28/410810328.db2.gz SJQMLWYEKVHNTN-NEPJUHHUSA-N 1 1 307.350 1.525 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1C ZINC000330671871 410865580 /nfs/dbraw/zinc/86/55/80/410865580.db2.gz NHCSOZBDFQKIHE-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C ZINC000330671871 410865585 /nfs/dbraw/zinc/86/55/85/410865585.db2.gz NHCSOZBDFQKIHE-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1C ZINC000330671871 410865590 /nfs/dbraw/zinc/86/55/90/410865590.db2.gz NHCSOZBDFQKIHE-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356284389 410943737 /nfs/dbraw/zinc/94/37/37/410943737.db2.gz PBYBKJYFDVZRCO-RYUDHWBXSA-N 1 1 308.382 1.736 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCC1 ZINC000353480881 411022124 /nfs/dbraw/zinc/02/21/24/411022124.db2.gz JNSLQXXNHCYXHM-NSHDSACASA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000339335567 306735827 /nfs/dbraw/zinc/73/58/27/306735827.db2.gz XOXYRYKYLLQBGX-MELADBBJSA-N 1 1 324.377 1.752 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(c3nc4c(cc3[N+](=O)[O-])CCCC4)C[C@H]2C1 ZINC000580067738 422881850 /nfs/dbraw/zinc/88/18/50/422881850.db2.gz HOZVTHPHIWTBGQ-BETUJISGSA-N 1 1 302.378 1.866 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@@H]21 ZINC000374821230 418565473 /nfs/dbraw/zinc/56/54/73/418565473.db2.gz DYRXLKABHMWOTP-OTYXRUKQSA-N 1 1 322.340 1.482 20 5 DDBDMO CNc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360947551 418552676 /nfs/dbraw/zinc/55/26/76/418552676.db2.gz XMXCEBHQVHAFGA-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360947551 418552679 /nfs/dbraw/zinc/55/26/79/418552679.db2.gz XMXCEBHQVHAFGA-QWRGUYRKSA-N 1 1 306.366 1.801 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189558571 222048092 /nfs/dbraw/zinc/04/80/92/222048092.db2.gz AKILFUQAIZUYFN-VXGBXAGGSA-N 1 1 311.357 1.621 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190856875 222090141 /nfs/dbraw/zinc/09/01/41/222090141.db2.gz LQDZHFBZMBREHV-UWVGGRQHSA-N 1 1 302.758 1.812 20 5 DDBDMO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361421330 418648964 /nfs/dbraw/zinc/64/89/64/418648964.db2.gz SUFWQXWIYCYCME-CQSZACIVSA-N 1 1 319.361 1.329 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361421330 418648965 /nfs/dbraw/zinc/64/89/65/418648965.db2.gz SUFWQXWIYCYCME-CQSZACIVSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501775 418649466 /nfs/dbraw/zinc/64/94/66/418649466.db2.gz OBACNHVLBCEETH-CQSZACIVSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@H](CO)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501775 418649470 /nfs/dbraw/zinc/64/94/70/418649470.db2.gz OBACNHVLBCEETH-CQSZACIVSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@H](CO)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375501775 418649472 /nfs/dbraw/zinc/64/94/72/418649472.db2.gz OBACNHVLBCEETH-CQSZACIVSA-N 1 1 307.394 1.526 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361563070 418679358 /nfs/dbraw/zinc/67/93/58/418679358.db2.gz FAFSMDULHGYLIK-CQSZACIVSA-N 1 1 303.322 1.168 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000361563070 418679360 /nfs/dbraw/zinc/67/93/60/418679360.db2.gz FAFSMDULHGYLIK-CQSZACIVSA-N 1 1 303.322 1.168 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408073944 418785877 /nfs/dbraw/zinc/78/58/77/418785877.db2.gz VDSKGHUOPYGWPJ-VXGBXAGGSA-N 1 1 321.377 1.986 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2ncccc12 ZINC000371801218 418816558 /nfs/dbraw/zinc/81/65/58/418816558.db2.gz FKPXOFZUOZOMPO-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c2ncccc12 ZINC000371801218 418816560 /nfs/dbraw/zinc/81/65/60/418816560.db2.gz FKPXOFZUOZOMPO-LBPRGKRZSA-N 1 1 314.345 1.664 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365249227 418846272 /nfs/dbraw/zinc/84/62/72/418846272.db2.gz PZTQGNJCHGFBFZ-NEPJUHHUSA-N 1 1 319.361 1.960 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420936793 419369074 /nfs/dbraw/zinc/36/90/74/419369074.db2.gz ITWSWATYCPCXEL-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420936793 419369079 /nfs/dbraw/zinc/36/90/79/419369079.db2.gz ITWSWATYCPCXEL-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420950418 419382334 /nfs/dbraw/zinc/38/23/34/419382334.db2.gz WLNMYJIRUJFWIO-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000427188146 419615145 /nfs/dbraw/zinc/61/51/45/419615145.db2.gz WZAHFBFQEGKILY-ZIAGYGMSSA-N 1 1 308.382 1.663 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421704092 419689963 /nfs/dbraw/zinc/68/99/63/419689963.db2.gz NTQRGJOYUJFVFY-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncn1 ZINC000428378647 419857974 /nfs/dbraw/zinc/85/79/74/419857974.db2.gz IKQWHBPXNJQORD-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ncn1 ZINC000428378647 419857977 /nfs/dbraw/zinc/85/79/77/419857977.db2.gz IKQWHBPXNJQORD-GFCCVEGCSA-N 1 1 314.349 1.775 20 5 DDBDMO CC(C)[C@H]([NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268593 419999985 /nfs/dbraw/zinc/99/99/85/419999985.db2.gz GPSPLAYWGIKICB-SMDDNHRTSA-N 1 1 308.382 1.885 20 5 DDBDMO CC(C)[C@H](N)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423268593 419999989 /nfs/dbraw/zinc/99/99/89/419999989.db2.gz GPSPLAYWGIKICB-SMDDNHRTSA-N 1 1 308.382 1.885 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000430195579 420088242 /nfs/dbraw/zinc/08/82/42/420088242.db2.gz OGEZMTRRFGBXBV-INIZCTEOSA-N 1 1 319.361 1.706 20 5 DDBDMO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430922430 420207253 /nfs/dbraw/zinc/20/72/53/420207253.db2.gz AGVAOLMMIBAMFG-VXGBXAGGSA-N 1 1 320.393 1.981 20 5 DDBDMO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000420324818 420209800 /nfs/dbraw/zinc/20/98/00/420209800.db2.gz BCNVERRSGCYPSH-IUODEOHRSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000420324818 420209804 /nfs/dbraw/zinc/20/98/04/420209804.db2.gz BCNVERRSGCYPSH-IUODEOHRSA-N 1 1 320.393 1.983 20 5 DDBDMO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C[NH3+] ZINC000423983082 420289532 /nfs/dbraw/zinc/28/95/32/420289532.db2.gz LNFKMMXRCLVJNT-RFAUZJTJSA-N 1 1 317.349 1.528 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416291932 420310662 /nfs/dbraw/zinc/31/06/62/420310662.db2.gz IFTBUKDPRHEWEQ-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416291932 420310664 /nfs/dbraw/zinc/31/06/64/420310664.db2.gz IFTBUKDPRHEWEQ-STQMWFEESA-N 1 1 321.377 1.430 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420604503 420328865 /nfs/dbraw/zinc/32/88/65/420328865.db2.gz RZELMEBIHLPSPR-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000439163688 420483462 /nfs/dbraw/zinc/48/34/62/420483462.db2.gz SYJUZZKADIOSDK-GFCCVEGCSA-N 1 1 320.393 1.862 20 5 DDBDMO CCOc1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000492739444 420648408 /nfs/dbraw/zinc/64/84/08/420648408.db2.gz AIULVEURKHZMSP-NSHDSACASA-N 1 1 308.338 1.236 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000492739444 420648410 /nfs/dbraw/zinc/64/84/10/420648410.db2.gz AIULVEURKHZMSP-NSHDSACASA-N 1 1 308.338 1.236 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456007490 421088168 /nfs/dbraw/zinc/08/81/68/421088168.db2.gz DFDXNKVKXWDYFQ-VHSXEESVSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456007490 421088171 /nfs/dbraw/zinc/08/81/71/421088171.db2.gz DFDXNKVKXWDYFQ-VHSXEESVSA-N 1 1 307.354 1.196 20 5 DDBDMO COc1ccc(CC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000525524753 421292228 /nfs/dbraw/zinc/29/22/28/421292228.db2.gz JHXJAXUSJHUEMV-ZDUSSCGKSA-N 1 1 321.377 1.699 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000527054190 421351257 /nfs/dbraw/zinc/35/12/57/421351257.db2.gz SXVPUPNMLABNJI-NSHDSACASA-N 1 1 305.334 1.136 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000548822538 421477118 /nfs/dbraw/zinc/47/71/18/421477118.db2.gz WMFAJLDEORZDJR-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000548822538 421477121 /nfs/dbraw/zinc/47/71/21/421477121.db2.gz WMFAJLDEORZDJR-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000563916280 421556280 /nfs/dbraw/zinc/55/62/80/421556280.db2.gz LVCGNVMIXUJLQS-ZDUSSCGKSA-N 1 1 306.366 1.936 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000530627231 421610855 /nfs/dbraw/zinc/61/08/55/421610855.db2.gz KLDXABZPQVIDGA-CQSZACIVSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000531627230 421640857 /nfs/dbraw/zinc/64/08/57/421640857.db2.gz APAAZHXHDCVRKH-UHFFFAOYSA-N 1 1 314.345 1.852 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757793 421665201 /nfs/dbraw/zinc/66/52/01/421665201.db2.gz IPIDADDNTKXNEM-MNOVXSKESA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000532757793 421665204 /nfs/dbraw/zinc/66/52/04/421665204.db2.gz IPIDADDNTKXNEM-MNOVXSKESA-N 1 1 313.379 1.279 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572177868 421767098 /nfs/dbraw/zinc/76/70/98/421767098.db2.gz DNQIOUFHBYIYMC-LBPRGKRZSA-N 1 1 321.381 1.297 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000520952791 421767863 /nfs/dbraw/zinc/76/78/63/421767863.db2.gz HEWWGDFZYNKUHK-ZDUSSCGKSA-N 1 1 307.350 1.526 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000521144116 421774455 /nfs/dbraw/zinc/77/44/55/421774455.db2.gz TYNOLPDMRHQNHS-LBPRGKRZSA-N 1 1 308.382 1.784 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000573338431 421948108 /nfs/dbraw/zinc/94/81/08/421948108.db2.gz NDGLHCTUYGVIJK-LLVKDONJSA-N 1 1 312.395 1.742 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000597860251 422392225 /nfs/dbraw/zinc/39/22/25/422392225.db2.gz MPLWMPYVUURLNL-JTQLQIEISA-N 1 1 321.381 1.422 20 5 DDBDMO O=C1N=NCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000578717850 422628223 /nfs/dbraw/zinc/62/82/23/422628223.db2.gz BYPOSDIAAOQRNW-UHFFFAOYSA-N 1 1 303.322 1.729 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]12CCOC2 ZINC000341956084 271259196 /nfs/dbraw/zinc/25/91/96/271259196.db2.gz SKIYNELTTRYQKY-XJKSGUPXSA-N 1 1 322.361 1.589 20 5 DDBDMO Cn1c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000344620094 272071937 /nfs/dbraw/zinc/07/19/37/272071937.db2.gz RKVRLWARCYTRCK-GFCCVEGCSA-N 1 1 308.382 1.784 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000280933395 274004262 /nfs/dbraw/zinc/00/42/62/274004262.db2.gz HQEHSUNWFSCAHT-LLVKDONJSA-N 1 1 320.349 1.451 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000280933395 274004263 /nfs/dbraw/zinc/00/42/63/274004263.db2.gz HQEHSUNWFSCAHT-LLVKDONJSA-N 1 1 320.349 1.451 20 5 DDBDMO COC(=O)c1cnc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000276774279 277168239 /nfs/dbraw/zinc/16/82/39/277168239.db2.gz NPTQZHFPGPVPBI-UHFFFAOYSA-N 1 1 320.349 1.451 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000357312607 299006268 /nfs/dbraw/zinc/00/62/68/299006268.db2.gz JNAMULTUGNQHIS-ZJUUUORDSA-N 1 1 305.338 1.127 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363050833 300203918 /nfs/dbraw/zinc/20/39/18/300203918.db2.gz NMAYFIITZFOZCJ-XHSDSOJGSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363050833 300203919 /nfs/dbraw/zinc/20/39/19/300203919.db2.gz NMAYFIITZFOZCJ-XHSDSOJGSA-N 1 1 317.389 1.632 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000363050833 300203921 /nfs/dbraw/zinc/20/39/21/300203921.db2.gz NMAYFIITZFOZCJ-XHSDSOJGSA-N 1 1 317.389 1.632 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124898 300215457 /nfs/dbraw/zinc/21/54/57/300215457.db2.gz DHMOEQNNMWIJQT-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124898 300215458 /nfs/dbraw/zinc/21/54/58/300215458.db2.gz DHMOEQNNMWIJQT-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124898 300215459 /nfs/dbraw/zinc/21/54/59/300215459.db2.gz DHMOEQNNMWIJQT-FVQBIDKESA-N 1 1 317.389 1.775 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000364606450 300419426 /nfs/dbraw/zinc/41/94/26/300419426.db2.gz NNKLXFDYORHRNI-UHFFFAOYSA-N 1 1 302.338 1.804 20 5 DDBDMO COc1cccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000368486707 301038731 /nfs/dbraw/zinc/03/87/31/301038731.db2.gz OVOOCYZDYUSQDC-VXGBXAGGSA-N 1 1 307.350 1.879 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000370148577 301283608 /nfs/dbraw/zinc/28/36/08/301283608.db2.gz BFQHNSYPOOGNPN-WQVCFCJDSA-N 1 1 305.378 1.654 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000370285625 301309388 /nfs/dbraw/zinc/30/93/88/301309388.db2.gz ONIMVCQAXAVSMO-OLZOCXBDSA-N 1 1 306.366 1.842 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000370285625 301309389 /nfs/dbraw/zinc/30/93/89/301309389.db2.gz ONIMVCQAXAVSMO-OLZOCXBDSA-N 1 1 306.366 1.842 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000377717983 302218623 /nfs/dbraw/zinc/21/86/23/302218623.db2.gz CWZIFSXAVOLACA-SWLSCSKDSA-N 1 1 319.361 1.432 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 ZINC000377791131 302233826 /nfs/dbraw/zinc/23/38/26/302233826.db2.gz ZDLPFZIAUNBWFZ-OCCSQVGLSA-N 1 1 306.366 1.825 20 5 DDBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378309033 302310301 /nfs/dbraw/zinc/31/03/01/302310301.db2.gz AVKNPLGGCLLCHB-JTQLQIEISA-N 1 1 318.337 1.382 20 5 DDBDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]12 ZINC000377647622 307275709 /nfs/dbraw/zinc/27/57/09/307275709.db2.gz FSEYZLZFOIDPIT-PWSUYJOCSA-N 1 1 320.305 1.071 20 5 DDBDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]12 ZINC000377647622 307275710 /nfs/dbraw/zinc/27/57/10/307275710.db2.gz FSEYZLZFOIDPIT-PWSUYJOCSA-N 1 1 320.305 1.071 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000378474495 307288766 /nfs/dbraw/zinc/28/87/66/307288766.db2.gz RBEOYIPRHRRNOW-YGRLFVJLSA-N 1 1 307.325 1.900 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000583103064 337240896 /nfs/dbraw/zinc/24/08/96/337240896.db2.gz YOJJSHUXNCAOID-HNNXBMFYSA-N 1 1 306.366 1.491 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000584448323 337338983 /nfs/dbraw/zinc/33/89/83/337338983.db2.gz NFDPFSMZUKRPEP-ZDUSSCGKSA-N 1 1 307.350 1.656 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000584448323 337338984 /nfs/dbraw/zinc/33/89/84/337338984.db2.gz NFDPFSMZUKRPEP-ZDUSSCGKSA-N 1 1 307.350 1.656 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000416994087 533865734 /nfs/dbraw/zinc/86/57/34/533865734.db2.gz JIJLEUREDYTDBI-RYUDHWBXSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000416994087 533865744 /nfs/dbraw/zinc/86/57/44/533865744.db2.gz JIJLEUREDYTDBI-RYUDHWBXSA-N 1 1 322.365 1.514 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330715832 534347702 /nfs/dbraw/zinc/34/77/02/534347702.db2.gz SYXIJMYRMRVWQN-ZYHUDNBSSA-N 1 1 313.379 1.327 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330715832 534347707 /nfs/dbraw/zinc/34/77/07/534347707.db2.gz SYXIJMYRMRVWQN-ZYHUDNBSSA-N 1 1 313.379 1.327 20 5 DDBDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080371 526271708 /nfs/dbraw/zinc/27/17/08/526271708.db2.gz ORWXECISVDMYTJ-OCCSQVGLSA-N 1 1 310.398 1.910 20 5 DDBDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452080368 527699437 /nfs/dbraw/zinc/69/94/37/527699437.db2.gz ORWXECISVDMYTJ-GXTWGEPZSA-N 1 1 310.398 1.910 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000490293377 527827737 /nfs/dbraw/zinc/82/77/37/527827737.db2.gz NPDLXRYBCATRJW-OAHLLOKOSA-N 1 1 320.393 1.805 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CO ZINC000292869443 527924749 /nfs/dbraw/zinc/92/47/49/527924749.db2.gz AWBHLRGUMRGRBD-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CO ZINC000292869443 527924759 /nfs/dbraw/zinc/92/47/59/527924759.db2.gz AWBHLRGUMRGRBD-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000302659360 529086027 /nfs/dbraw/zinc/08/60/27/529086027.db2.gz AQUVLRGMHFMWFD-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CCN(c2[nH+]ccn2C)CC1 ZINC000745973147 700001312 /nfs/dbraw/zinc/00/13/12/700001312.db2.gz UOSZCNKDKYJPJX-UHFFFAOYSA-N 1 1 301.350 1.963 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000748355977 700113415 /nfs/dbraw/zinc/11/34/15/700113415.db2.gz UFOMKUIZJXZUQJ-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000748355977 700113416 /nfs/dbraw/zinc/11/34/16/700113416.db2.gz UFOMKUIZJXZUQJ-JTQLQIEISA-N 1 1 321.333 1.142 20 5 DDBDMO Cc1ncoc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426954 697509319 /nfs/dbraw/zinc/50/93/19/697509319.db2.gz VUIQSQLKVJHBSY-CHWSQXEVSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1ncoc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426954 697509321 /nfs/dbraw/zinc/50/93/21/697509321.db2.gz VUIQSQLKVJHBSY-CHWSQXEVSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1ncoc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426954 697509322 /nfs/dbraw/zinc/50/93/22/697509322.db2.gz VUIQSQLKVJHBSY-CHWSQXEVSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000774247586 697858862 /nfs/dbraw/zinc/85/88/62/697858862.db2.gz ACFYOBZRLMVKHG-UHFFFAOYSA-N 1 1 306.366 1.652 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000774247586 697858864 /nfs/dbraw/zinc/85/88/64/697858864.db2.gz ACFYOBZRLMVKHG-UHFFFAOYSA-N 1 1 306.366 1.652 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749939809 700193320 /nfs/dbraw/zinc/19/33/20/700193320.db2.gz UGPQXLDFYZBIES-JTQLQIEISA-N 1 1 319.321 1.100 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749939809 700193322 /nfs/dbraw/zinc/19/33/22/700193322.db2.gz UGPQXLDFYZBIES-JTQLQIEISA-N 1 1 319.321 1.100 20 5 DDBDMO COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261938690 698445903 /nfs/dbraw/zinc/44/59/03/698445903.db2.gz UJVQDNALNCESBM-CQSZACIVSA-N 1 1 320.393 1.083 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782619989 698752273 /nfs/dbraw/zinc/75/22/73/698752273.db2.gz JSTZMLFAKSQFSG-XHDPSFHLSA-N 1 1 308.334 1.296 20 5 DDBDMO C[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726590694 699369692 /nfs/dbraw/zinc/36/96/92/699369692.db2.gz QORFNAGFDWEQSE-NSHDSACASA-N 1 1 318.333 1.663 20 5 DDBDMO C[C@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000726590694 699369693 /nfs/dbraw/zinc/36/96/93/699369693.db2.gz QORFNAGFDWEQSE-NSHDSACASA-N 1 1 318.333 1.663 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000789516255 699392215 /nfs/dbraw/zinc/39/22/15/699392215.db2.gz NCBSRLQABKGMAZ-CYBMUJFWSA-N 1 1 323.397 1.746 20 5 DDBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000789516255 699392218 /nfs/dbraw/zinc/39/22/18/699392218.db2.gz NCBSRLQABKGMAZ-CYBMUJFWSA-N 1 1 323.397 1.746 20 5 DDBDMO COC[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000739872344 699781735 /nfs/dbraw/zinc/78/17/35/699781735.db2.gz PKUUYEBUYOYMSI-JTQLQIEISA-N 1 1 307.306 1.429 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000739872344 699781736 /nfs/dbraw/zinc/78/17/36/699781736.db2.gz PKUUYEBUYOYMSI-JTQLQIEISA-N 1 1 307.306 1.429 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@H+](CCO)CC1 ZINC000804432237 701188746 /nfs/dbraw/zinc/18/87/46/701188746.db2.gz VZVHQHQBAMLWGS-UHFFFAOYSA-N 1 1 310.310 1.007 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000804640212 701205240 /nfs/dbraw/zinc/20/52/40/701205240.db2.gz CCIWDEJGNBJVAS-UHFFFAOYSA-N 1 1 310.310 1.637 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC[N@H+]1CCCOCC1 ZINC000804640212 701205244 /nfs/dbraw/zinc/20/52/44/701205244.db2.gz CCIWDEJGNBJVAS-UHFFFAOYSA-N 1 1 310.310 1.637 20 5 DDBDMO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000808207284 701507766 /nfs/dbraw/zinc/50/77/66/701507766.db2.gz PKUZNPRDPRRCFG-GFCCVEGCSA-N 1 1 307.354 1.002 20 5 DDBDMO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000808207284 701507767 /nfs/dbraw/zinc/50/77/67/701507767.db2.gz PKUZNPRDPRRCFG-GFCCVEGCSA-N 1 1 307.354 1.002 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000810614485 701800648 /nfs/dbraw/zinc/80/06/48/701800648.db2.gz COMQGFMZYIILNK-SNVBAGLBSA-N 1 1 307.310 1.318 20 5 DDBDMO CC(C)(C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000810839513 701859435 /nfs/dbraw/zinc/85/94/35/701859435.db2.gz BSOLGBGUNNNJDT-DGCLKSJQSA-N 1 1 322.365 1.696 20 5 DDBDMO Nc1ccc(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810850730 701862296 /nfs/dbraw/zinc/86/22/96/701862296.db2.gz NXBIWAGIPBWRCM-NEPJUHHUSA-N 1 1 305.334 1.961 20 5 DDBDMO C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000840090292 701962668 /nfs/dbraw/zinc/96/26/68/701962668.db2.gz ODXQCDOOUUBDOQ-TXEJJXNPSA-N 1 1 303.366 1.926 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840094481 701966374 /nfs/dbraw/zinc/96/63/74/701966374.db2.gz UMOJYMTZSIKBAX-ZDUSSCGKSA-N 1 1 303.366 1.928 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000868269142 702032479 /nfs/dbraw/zinc/03/24/79/702032479.db2.gz CPAIYSSDHUWKSK-NSHDSACASA-N 1 1 309.341 1.829 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000817374832 702361848 /nfs/dbraw/zinc/36/18/48/702361848.db2.gz MOSOYRLAAJPWRH-NSHDSACASA-N 1 1 320.349 1.486 20 5 DDBDMO COc1cc(Cc2noc([C@@H](C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843224897 702845734 /nfs/dbraw/zinc/84/57/34/702845734.db2.gz AJCDNJWLLJSCPP-SSDOTTSWSA-N 1 1 308.294 1.606 20 5 DDBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000843893516 702939078 /nfs/dbraw/zinc/93/90/78/702939078.db2.gz OGNNCZXIKKXBTD-MFKMUULPSA-N 1 1 307.325 1.818 20 5 DDBDMO CCCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000843992218 702950141 /nfs/dbraw/zinc/95/01/41/702950141.db2.gz BEAPHMVULYXMGV-GFCCVEGCSA-N 1 1 306.366 1.733 20 5 DDBDMO Cc1nn(C[NH+]2CCC(Cn3cnnc3)CC2)c(C)c1[N+](=O)[O-] ZINC000844731646 703065282 /nfs/dbraw/zinc/06/52/82/703065282.db2.gz HLODLLIVJSPUCK-UHFFFAOYSA-N 1 1 319.369 1.369 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848351484 703542162 /nfs/dbraw/zinc/54/21/62/703542162.db2.gz DMEYMQSLYYIMTC-CABCVRRESA-N 1 1 318.377 1.924 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986353 704043920 /nfs/dbraw/zinc/04/39/20/704043920.db2.gz MDRQUWGJTPBOFQ-OWCLPIDISA-N 1 1 321.377 1.081 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000818986353 704043924 /nfs/dbraw/zinc/04/39/24/704043924.db2.gz MDRQUWGJTPBOFQ-OWCLPIDISA-N 1 1 321.377 1.081 20 5 DDBDMO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000852500945 704064095 /nfs/dbraw/zinc/06/40/95/704064095.db2.gz UMCWJZTUEHMVBC-NXEZZACHSA-N 1 1 309.322 1.952 20 5 DDBDMO O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000821587723 704425423 /nfs/dbraw/zinc/42/54/23/704425423.db2.gz JJLUDCLOLAEFSJ-OKILXGFUSA-N 1 1 306.318 1.615 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855163130 704471663 /nfs/dbraw/zinc/47/16/63/704471663.db2.gz SYCVAGYSIKKEFR-KBPBESRZSA-N 1 1 321.377 1.617 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822647673 704995877 /nfs/dbraw/zinc/99/58/77/704995877.db2.gz SRTSSVCOTZWANW-SNVBAGLBSA-N 1 1 320.305 1.522 20 5 DDBDMO COc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874827845 705186166 /nfs/dbraw/zinc/18/61/66/705186166.db2.gz DULZTCRMSKXMSF-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000874845933 705200187 /nfs/dbraw/zinc/20/01/87/705200187.db2.gz YUROPSXLQFQSHA-LSDHHAIUSA-N 1 1 319.361 1.669 20 5 DDBDMO CCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000823920841 705340138 /nfs/dbraw/zinc/34/01/38/705340138.db2.gz FKVXQOOPXLXMJN-NSHDSACASA-N 1 1 307.354 1.735 20 5 DDBDMO CCn1nc(C)c(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000824081015 705369884 /nfs/dbraw/zinc/36/98/84/705369884.db2.gz RIJXLKJMDCWKNS-CQSZACIVSA-N 1 1 305.338 1.338 20 5 DDBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000825909629 705744541 /nfs/dbraw/zinc/74/45/41/705744541.db2.gz DEJIIQGXFPDZTL-HNNXBMFYSA-N 1 1 319.361 1.325 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827363736 705985557 /nfs/dbraw/zinc/98/55/57/705985557.db2.gz CABPIJKYHGOBSC-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000827374743 705988956 /nfs/dbraw/zinc/98/89/56/705988956.db2.gz PPCLBPGGUZHLBR-ZIAGYGMSSA-N 1 1 303.362 1.690 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2cc(F)c([N+](=O)[O-])cc2CO)n1C ZINC000865536545 706457910 /nfs/dbraw/zinc/45/79/10/706457910.db2.gz BVKTYTYWUTZWTR-UHFFFAOYSA-N 1 1 323.328 1.638 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCOCC1 ZINC000865877364 706549836 /nfs/dbraw/zinc/54/98/36/706549836.db2.gz YEPNCUVVUPTWOP-UHFFFAOYSA-N 1 1 307.350 1.872 20 5 DDBDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1 ZINC000880092306 706876877 /nfs/dbraw/zinc/87/68/77/706876877.db2.gz MZSCYGMMOWYSQD-YNEHKIRRSA-N 1 1 321.377 1.929 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000880529346 707005636 /nfs/dbraw/zinc/00/56/36/707005636.db2.gz KXXXSLPMKUJTRF-UKRRQHHQSA-N 1 1 303.362 1.738 20 5 DDBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000837174567 707591429 /nfs/dbraw/zinc/59/14/29/707591429.db2.gz GURCFTUQXLDZOD-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000882483096 707653364 /nfs/dbraw/zinc/65/33/64/707653364.db2.gz QUHQNFUGDKADNU-OAHLLOKOSA-N 1 1 320.393 1.997 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000837613340 707695498 /nfs/dbraw/zinc/69/54/98/707695498.db2.gz UFMKNMFONYSEES-LLVKDONJSA-N 1 1 322.365 1.992 20 5 DDBDMO Cc1c(C[NH2+][C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873045024 707706763 /nfs/dbraw/zinc/70/67/63/707706763.db2.gz AKANIAUKLHCWSA-CYBMUJFWSA-N 1 1 306.410 1.629 20 5 DDBDMO Cn1ccnc1[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000873256486 707786799 /nfs/dbraw/zinc/78/67/99/707786799.db2.gz MXPVUHPRQSOZTD-WHOFXGATSA-N 1 1 315.377 1.745 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896913087 708180971 /nfs/dbraw/zinc/18/09/71/708180971.db2.gz MPTDFNZXCMFZIU-YGRLFVJLSA-N 1 1 306.322 1.891 20 5 DDBDMO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402450 709037613 /nfs/dbraw/zinc/03/76/13/709037613.db2.gz CDMRAWQHEIGACO-SMDDNHRTSA-N 1 1 307.350 1.145 20 5 DDBDMO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1[N+](=O)[O-] ZINC000887402450 709037617 /nfs/dbraw/zinc/03/76/17/709037617.db2.gz CDMRAWQHEIGACO-SMDDNHRTSA-N 1 1 307.350 1.145 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910269079 709853172 /nfs/dbraw/zinc/85/31/72/709853172.db2.gz DSOGJLVYQBLFKU-IUODEOHRSA-N 1 1 321.377 1.571 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910296269 709873759 /nfs/dbraw/zinc/87/37/59/709873759.db2.gz UIZVOGHYMIOHEM-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095970 713161811 /nfs/dbraw/zinc/16/18/11/713161811.db2.gz ACVRCHDLJXGUKT-DRPJVOAASA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095970 713161812 /nfs/dbraw/zinc/16/18/12/713161812.db2.gz ACVRCHDLJXGUKT-DRPJVOAASA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095970 713161813 /nfs/dbraw/zinc/16/18/13/713161813.db2.gz ACVRCHDLJXGUKT-DRPJVOAASA-N 1 1 317.389 1.678 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000892418066 710434000 /nfs/dbraw/zinc/43/40/00/710434000.db2.gz MNDITPFHSKRXML-CJNGLKHVSA-N 1 1 318.377 1.688 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893133766 710559753 /nfs/dbraw/zinc/55/97/53/710559753.db2.gz COJGWQMCISCXIG-GWCFXTLKSA-N 1 1 321.377 1.881 20 5 DDBDMO COc1c(O)ccc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000893133766 710559754 /nfs/dbraw/zinc/55/97/54/710559754.db2.gz COJGWQMCISCXIG-GWCFXTLKSA-N 1 1 321.377 1.881 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000893266684 710583136 /nfs/dbraw/zinc/58/31/36/710583136.db2.gz SQKMOQGANXGWNB-HIFRSBDPSA-N 1 1 318.377 1.483 20 5 DDBDMO CC(C)Oc1nc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000893933531 710891543 /nfs/dbraw/zinc/89/15/43/710891543.db2.gz AQNYLQMMVITDOE-AAEUAGOBSA-N 1 1 306.366 1.917 20 5 DDBDMO COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000894621898 711220692 /nfs/dbraw/zinc/22/06/92/711220692.db2.gz XMQGTDPAUOXQLK-VIFPVBQESA-N 1 1 309.149 1.999 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000912237608 711238047 /nfs/dbraw/zinc/23/80/47/711238047.db2.gz LYDOVHZBXBCKGQ-OAHLLOKOSA-N 1 1 320.393 1.921 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000894799777 711275727 /nfs/dbraw/zinc/27/57/27/711275727.db2.gz ALQNFBSKHVKVPM-GASCZTMLSA-N 1 1 307.398 1.898 20 5 DDBDMO CN1C[C@H](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000895478108 711522132 /nfs/dbraw/zinc/52/21/32/711522132.db2.gz HZRQNZHITRKAFA-LLVKDONJSA-N 1 1 314.345 1.845 20 5 DDBDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896521709 711737612 /nfs/dbraw/zinc/73/76/12/711737612.db2.gz LDTTUFGCXZSMSC-ZDUSSCGKSA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896579331 711757782 /nfs/dbraw/zinc/75/77/82/711757782.db2.gz FQBXIXPPYJPYNC-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1c(CNC(=O)C2CN(C)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000907695867 712615178 /nfs/dbraw/zinc/61/51/78/712615178.db2.gz RPYVEQRMHPMVFU-UHFFFAOYSA-N 1 1 320.393 1.013 20 5 DDBDMO C[C@H]1[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000917789286 713514039 /nfs/dbraw/zinc/51/40/39/713514039.db2.gz MLOUYNZUJNVMGO-FZMZJTMJSA-N 1 1 322.365 1.365 20 5 DDBDMO C[N@H+](CC[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000930715232 713902350 /nfs/dbraw/zinc/90/23/50/713902350.db2.gz GQFJIGADVMUDIX-NSHDSACASA-N 1 1 303.156 1.691 20 5 DDBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H](O)c1cccc(Br)c1 ZINC000930715232 713902351 /nfs/dbraw/zinc/90/23/51/713902351.db2.gz GQFJIGADVMUDIX-NSHDSACASA-N 1 1 303.156 1.691 20 5 DDBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000186 /nfs/dbraw/zinc/00/01/86/714000186.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 1 1 322.409 1.652 20 5 DDBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000922951626 714196239 /nfs/dbraw/zinc/19/62/39/714196239.db2.gz PYPULANVHDVEGZ-MRXNPFEDSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1cccc(CNC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000922951626 714196241 /nfs/dbraw/zinc/19/62/41/714196241.db2.gz PYPULANVHDVEGZ-MRXNPFEDSA-N 1 1 305.378 1.938 20 5 DDBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932710162 714394995 /nfs/dbraw/zinc/39/49/95/714394995.db2.gz LFXLZLXKEMBGPC-RYUDHWBXSA-N 1 1 301.387 1.746 20 5 DDBDMO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000933287676 714554825 /nfs/dbraw/zinc/55/48/25/714554825.db2.gz YMUSHDGWHWAXPX-CQSZACIVSA-N 1 1 321.377 1.998 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000933438650 714589276 /nfs/dbraw/zinc/58/92/76/714589276.db2.gz BGSBDSMFPFMONP-ZYHUDNBSSA-N 1 1 309.370 1.041 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933900316 714696597 /nfs/dbraw/zinc/69/65/97/714696597.db2.gz JIUMPIXXMAFMMM-ZIAGYGMSSA-N 1 1 308.334 1.466 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933900316 714696599 /nfs/dbraw/zinc/69/65/99/714696599.db2.gz JIUMPIXXMAFMMM-ZIAGYGMSSA-N 1 1 308.334 1.466 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[C@@H]2OC)c1 ZINC000934104977 714741993 /nfs/dbraw/zinc/74/19/93/714741993.db2.gz APFMXUDUWLBOLA-KBPBESRZSA-N 1 1 308.334 1.991 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CC[C@@H]2OC)c1 ZINC000934104977 714741994 /nfs/dbraw/zinc/74/19/94/714741994.db2.gz APFMXUDUWLBOLA-KBPBESRZSA-N 1 1 308.334 1.991 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120308 714747320 /nfs/dbraw/zinc/74/73/20/714747320.db2.gz SXFWWODOEKMBNS-UONOGXRCSA-N 1 1 307.350 1.667 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934120308 714747318 /nfs/dbraw/zinc/74/73/18/714747318.db2.gz SXFWWODOEKMBNS-UONOGXRCSA-N 1 1 307.350 1.667 20 5 DDBDMO Cc1cc(Cl)nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164665841 719384902 /nfs/dbraw/zinc/38/49/02/719384902.db2.gz IWTBKWUDDFDAPD-VHSXEESVSA-N 1 1 312.757 1.471 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc1Cl ZINC001164664946 719385307 /nfs/dbraw/zinc/38/53/07/719385307.db2.gz DAHCHOGOLPNYCK-WDEREUQCSA-N 1 1 312.757 1.471 20 5 DDBDMO Cc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000610754495 721901106 /nfs/dbraw/zinc/90/11/06/721901106.db2.gz HWGWAHPWXSQZQW-CYBMUJFWSA-N 1 1 306.366 1.599 20 5 DDBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000601101241 721904116 /nfs/dbraw/zinc/90/41/16/721904116.db2.gz VICQXJUDMWTTFJ-LBPRGKRZSA-N 1 1 310.329 1.430 20 5 DDBDMO COc1c(O)ccc(C[NH2+][C@@H]2COCC[C@H]2OC)c1[N+](=O)[O-] ZINC001184011352 743956225 /nfs/dbraw/zinc/95/62/25/743956225.db2.gz AFHFZIPYKLYYGH-ZYHUDNBSSA-N 1 1 312.322 1.203 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](CO)[C@@H](CCO)C3)nc2c1 ZINC001198754690 747599659 /nfs/dbraw/zinc/59/96/59/747599659.db2.gz VLPXWCDZUSVHHR-WDEREUQCSA-N 1 1 321.333 1.159 20 5 DDBDMO O=C(C1CCC1)N1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169028398 762185805 /nfs/dbraw/zinc/18/58/05/762185805.db2.gz RXQPQMCMDXHHPY-DZGCQCFKSA-N 1 1 309.410 1.766 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045530 762186251 /nfs/dbraw/zinc/18/62/51/762186251.db2.gz JKJJQMCRXRNLCL-IUODEOHRSA-N 1 1 320.393 1.996 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2Cc3cnn(C4CCOCC4)c3C2)C1 ZINC001169045530 762186255 /nfs/dbraw/zinc/18/62/55/762186255.db2.gz JKJJQMCRXRNLCL-IUODEOHRSA-N 1 1 320.393 1.996 20 5 DDBDMO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017579 762197690 /nfs/dbraw/zinc/19/76/90/762197690.db2.gz AQTYZTMBLRVMQE-HZSPNIEDSA-N 1 1 322.409 1.801 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ncn(C)c21 ZINC001169017579 762197692 /nfs/dbraw/zinc/19/76/92/762197692.db2.gz AQTYZTMBLRVMQE-HZSPNIEDSA-N 1 1 322.409 1.801 20 5 DDBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000823784948 758361285 /nfs/dbraw/zinc/36/12/85/758361285.db2.gz UIEZYFQHNVDZSL-IINYFYTJSA-N 1 1 324.356 1.098 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001020140435 760614969 /nfs/dbraw/zinc/61/49/69/760614969.db2.gz HJMPVZHFRMERQI-AAVRWANBSA-N 1 1 323.418 1.767 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001093673958 774987852 /nfs/dbraw/zinc/98/78/52/774987852.db2.gz FRESNCSMDYLTLB-UHFFFAOYSA-N 1 1 312.345 1.602 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001093788300 775079760 /nfs/dbraw/zinc/07/97/60/775079760.db2.gz XVAUONSLKFTMQG-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO NC(=O)[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172918305 776930791 /nfs/dbraw/zinc/93/07/91/776930791.db2.gz AQYYADJFOYGECL-DZGCQCFKSA-N 1 1 319.361 1.028 20 5 DDBDMO O=C(NCC1([NH2+]Cc2ccon2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001115530871 780217530 /nfs/dbraw/zinc/21/75/30/780217530.db2.gz WDQATYZQBZUIOA-CHWSQXEVSA-N 1 1 322.365 1.249 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC001116445205 780509804 /nfs/dbraw/zinc/50/98/04/780509804.db2.gz QAPKZHKOTJHMBK-NSHDSACASA-N 1 1 302.338 1.708 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]n1 ZINC001116445205 780509811 /nfs/dbraw/zinc/50/98/11/780509811.db2.gz QAPKZHKOTJHMBK-NSHDSACASA-N 1 1 302.338 1.708 20 5 DDBDMO CCc1[nH+]ccn1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC001154615276 861284935 /nfs/dbraw/zinc/28/49/35/861284935.db2.gz DHZZAJOYLZHUGG-UHFFFAOYSA-N 1 1 303.322 1.366 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001152052966 863135514 /nfs/dbraw/zinc/13/55/14/863135514.db2.gz KXPBCSXWNDWWLS-LBPRGKRZSA-N 1 1 321.381 1.845 20 5 DDBDMO COc1nc(NCc2ccc(N)[nH+]c2C)nc(OC)c1[N+](=O)[O-] ZINC001156980942 863494947 /nfs/dbraw/zinc/49/49/47/863494947.db2.gz QANYJBAQJJMESE-UHFFFAOYSA-N 1 1 320.309 1.300 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)C(C)C)C2)n1 ZINC001157022494 863522859 /nfs/dbraw/zinc/52/28/59/863522859.db2.gz YBOWPDKBMJIRFC-LLVKDONJSA-N 1 1 322.365 1.695 20 5 DDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)n1 ZINC001157263709 863690579 /nfs/dbraw/zinc/69/05/79/863690579.db2.gz BLGDZVAIBDNVEI-MNOVXSKESA-N 1 1 307.354 1.232 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001333928906 867163693 /nfs/dbraw/zinc/16/36/93/867163693.db2.gz CHOLDMWUMQRXEE-SDDRHHMPSA-N 1 1 321.381 1.429 20 5 DDBDMO CC(=O)Nc1ccc(NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162689651 867739310 /nfs/dbraw/zinc/73/93/10/867739310.db2.gz LUIQTPSXXDXGTG-LBPRGKRZSA-N 1 1 308.338 1.296 20 5 DDBDMO CC(=O)Nc1ccc(NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162689651 867739315 /nfs/dbraw/zinc/73/93/15/867739315.db2.gz LUIQTPSXXDXGTG-LBPRGKRZSA-N 1 1 308.338 1.296 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165300383 869506656 /nfs/dbraw/zinc/50/66/56/869506656.db2.gz NECLSNOBVCLYKB-NSHDSACASA-N 1 1 322.365 1.920 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc4ccccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC001338161458 869842143 /nfs/dbraw/zinc/84/21/43/869842143.db2.gz CNOLYLVQGTYZJV-QJPTWQEYSA-N 1 1 301.350 1.995 20 5 DDBDMO Cc1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC001341855966 871858175 /nfs/dbraw/zinc/85/81/75/871858175.db2.gz JMDZFBVCXUZTGO-UHFFFAOYSA-N 1 1 303.322 1.599 20 5 DDBDMO COc1c(C(=O)NC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC001347505044 874165682 /nfs/dbraw/zinc/16/56/82/874165682.db2.gz UYUPAOMQENGKBS-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CCC/C=C\CC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227257419 882936177 /nfs/dbraw/zinc/93/61/77/882936177.db2.gz ADEGRQLELPQJBU-ZYDHHDLOSA-N 1 1 309.410 1.979 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001350914986 875955610 /nfs/dbraw/zinc/95/56/10/875955610.db2.gz GAVKBMRVNSFFIJ-MRCXROJRSA-N 1 1 307.325 1.804 20 5 DDBDMO OC[C@@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001232219395 886167231 /nfs/dbraw/zinc/16/72/31/886167231.db2.gz TZIRRFBKKKXJGR-HOCLYGCPSA-N 1 1 309.369 1.568 20 5 DDBDMO COc1ccc(C[C@H](C)N[C@@H]2CC[NH2+]C[C@H]2F)c([N+](=O)[O-])c1 ZINC001246087558 892409226 /nfs/dbraw/zinc/40/92/26/892409226.db2.gz OZWDOPFCTPYFKC-ZLKJLUDKSA-N 1 1 311.357 1.824 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597368 896524214 /nfs/dbraw/zinc/52/42/14/896524214.db2.gz CTQRIKUNHMFCLN-CZUORRHYSA-N 1 1 317.389 1.862 20 5 DDBDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000278513723 214203071 /nfs/dbraw/zinc/20/30/71/214203071.db2.gz FJLDQMLXMSZKAJ-OCCSQVGLSA-N 1 1 312.366 1.439 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000614420175 361846403 /nfs/dbraw/zinc/84/64/03/361846403.db2.gz OJQPNXHSUAWEDE-LBPRGKRZSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000614420175 361846407 /nfs/dbraw/zinc/84/64/07/361846407.db2.gz OJQPNXHSUAWEDE-LBPRGKRZSA-N 1 1 303.322 1.642 20 5 DDBDMO C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CO ZINC000305429846 231007059 /nfs/dbraw/zinc/00/70/59/231007059.db2.gz DLDTWSBNFQCPSW-IINYFYTJSA-N 1 1 307.350 1.287 20 5 DDBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CCCO1 ZINC000278718877 214351736 /nfs/dbraw/zinc/35/17/36/214351736.db2.gz VVNGCPSVSQBWKN-LLVKDONJSA-N 1 1 311.338 1.419 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249500634 282161154 /nfs/dbraw/zinc/16/11/54/282161154.db2.gz XCYWJIKYBZVUOK-RYUDHWBXSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000249500634 282161158 /nfs/dbraw/zinc/16/11/58/282161158.db2.gz XCYWJIKYBZVUOK-RYUDHWBXSA-N 1 1 323.349 1.005 20 5 DDBDMO CO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451565649 231126572 /nfs/dbraw/zinc/12/65/72/231126572.db2.gz LMYGYWPNHWHDKR-WFASDCNBSA-N 1 1 321.377 1.914 20 5 DDBDMO CO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451565649 231126575 /nfs/dbraw/zinc/12/65/75/231126575.db2.gz LMYGYWPNHWHDKR-WFASDCNBSA-N 1 1 321.377 1.914 20 5 DDBDMO CC[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286637324 219097934 /nfs/dbraw/zinc/09/79/34/219097934.db2.gz SWQZTFPDSBMQKO-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286637324 219097937 /nfs/dbraw/zinc/09/79/37/219097937.db2.gz SWQZTFPDSBMQKO-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286637324 219097939 /nfs/dbraw/zinc/09/79/39/219097939.db2.gz SWQZTFPDSBMQKO-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650328 529894901 /nfs/dbraw/zinc/89/49/01/529894901.db2.gz MUZFMKZKHFNLKB-VIFPVBQESA-N 1 1 305.338 1.285 20 5 DDBDMO CN(c1ncc([N+](=O)[O-])cc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286374111 282344908 /nfs/dbraw/zinc/34/49/08/282344908.db2.gz MTSLGUMMMJZQHL-ZACCUICWSA-N 1 1 319.365 1.150 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000299605314 530055894 /nfs/dbraw/zinc/05/58/94/530055894.db2.gz YCZGWUDRDWCSAS-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000330780626 232062082 /nfs/dbraw/zinc/06/20/82/232062082.db2.gz XEMGCJOGLCJIGR-VIFPVBQESA-N 1 1 307.354 1.017 20 5 DDBDMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612904 210013268 /nfs/dbraw/zinc/01/32/68/210013268.db2.gz ZPOUCBKJMFAFRX-CMPLNLGQSA-N 1 1 305.334 1.609 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272612904 210013270 /nfs/dbraw/zinc/01/32/70/210013270.db2.gz ZPOUCBKJMFAFRX-CMPLNLGQSA-N 1 1 305.334 1.609 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851805 186193582 /nfs/dbraw/zinc/19/35/82/186193582.db2.gz DOSKMLLLVZWTPP-RISCZKNCSA-N 1 1 307.350 1.411 20 5 DDBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000177851805 186193583 /nfs/dbraw/zinc/19/35/83/186193583.db2.gz DOSKMLLLVZWTPP-RISCZKNCSA-N 1 1 307.350 1.411 20 5 DDBDMO CC(C)NC(=O)NCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000564904424 304025038 /nfs/dbraw/zinc/02/50/38/304025038.db2.gz DXGGOJRYMPXCLP-UHFFFAOYSA-N 1 1 308.382 1.777 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000041423026 352307261 /nfs/dbraw/zinc/30/72/61/352307261.db2.gz XMUKVDFFYHCZOU-UHFFFAOYSA-N 1 1 309.366 1.601 20 5 DDBDMO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000172894016 198164446 /nfs/dbraw/zinc/16/44/46/198164446.db2.gz IHRBWDGWUBJIFT-LBPRGKRZSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000172894016 198164447 /nfs/dbraw/zinc/16/44/47/198164447.db2.gz IHRBWDGWUBJIFT-LBPRGKRZSA-N 1 1 323.349 1.271 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000052295644 352607309 /nfs/dbraw/zinc/60/73/09/352607309.db2.gz FJLUDMLXANVDOA-UHFFFAOYSA-N 1 1 317.349 1.642 20 5 DDBDMO CCC[N@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000059018959 352860318 /nfs/dbraw/zinc/86/03/18/352860318.db2.gz MTQOKUKEBIDROX-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO CCC[N@@H+](CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000059018959 352860320 /nfs/dbraw/zinc/86/03/20/352860320.db2.gz MTQOKUKEBIDROX-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358562894 299198709 /nfs/dbraw/zinc/19/87/09/299198709.db2.gz AJFOMDDOBZUNFW-VIFPVBQESA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358562894 299198712 /nfs/dbraw/zinc/19/87/12/299198712.db2.gz AJFOMDDOBZUNFW-VIFPVBQESA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000073811937 353272084 /nfs/dbraw/zinc/27/20/84/353272084.db2.gz FOAUTBUMBSDAAO-ZDUSSCGKSA-N 1 1 306.366 1.531 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174285706 198315439 /nfs/dbraw/zinc/31/54/39/198315439.db2.gz IBVQYERAMSWKOL-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174285706 198315442 /nfs/dbraw/zinc/31/54/42/198315442.db2.gz IBVQYERAMSWKOL-NWDGAFQWSA-N 1 1 307.350 1.122 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321170 353306584 /nfs/dbraw/zinc/30/65/84/353306584.db2.gz IBNWUIPUGGONBL-GFCCVEGCSA-N 1 1 321.381 1.430 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321170 353306586 /nfs/dbraw/zinc/30/65/86/353306586.db2.gz IBNWUIPUGGONBL-GFCCVEGCSA-N 1 1 321.381 1.430 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074321170 353306589 /nfs/dbraw/zinc/30/65/89/353306589.db2.gz IBNWUIPUGGONBL-GFCCVEGCSA-N 1 1 321.381 1.430 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078632330 353526298 /nfs/dbraw/zinc/52/62/98/353526298.db2.gz NUZWKKBGCFDBRE-AWEZNQCLSA-N 1 1 321.425 1.984 20 5 DDBDMO CCc1nn(C)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000092830322 353872198 /nfs/dbraw/zinc/87/21/98/353872198.db2.gz QMHWYSPODQFSNS-LBPRGKRZSA-N 1 1 323.397 1.049 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139638909 354130997 /nfs/dbraw/zinc/13/09/97/354130997.db2.gz CASWZTAWUYCYKL-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000176868404 198631543 /nfs/dbraw/zinc/63/15/43/198631543.db2.gz NKLJEFKFQBVKBO-QWRGUYRKSA-N 1 1 306.366 1.732 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000305690721 354470790 /nfs/dbraw/zinc/47/07/90/354470790.db2.gz BBWCUSVSXPPPPV-AWEZNQCLSA-N 1 1 307.350 1.626 20 5 DDBDMO CCOc1cc(NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000315929281 354498194 /nfs/dbraw/zinc/49/81/94/354498194.db2.gz XBVVVJCUJJRXFL-ZDUSSCGKSA-N 1 1 308.382 1.651 20 5 DDBDMO CN1C[C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590011976 355040235 /nfs/dbraw/zinc/04/02/35/355040235.db2.gz NSJXUWKXIVKKHC-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@@H+]1C[C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590011976 355040238 /nfs/dbraw/zinc/04/02/38/355040238.db2.gz NSJXUWKXIVKKHC-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590011976 355040239 /nfs/dbraw/zinc/04/02/39/355040239.db2.gz NSJXUWKXIVKKHC-CJNGLKHVSA-N 1 1 305.378 2.000 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@@H]2C1 ZINC000590445474 355098875 /nfs/dbraw/zinc/09/88/75/355098875.db2.gz MYSYZPLZJCWVOV-MEBBXXQBSA-N 1 1 314.345 1.852 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000591083761 355245653 /nfs/dbraw/zinc/24/56/53/355245653.db2.gz DPLHDZOLGYCNDL-SLBVQIDZSA-N 1 1 315.373 1.861 20 5 DDBDMO CC(C)O[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593055710 355781465 /nfs/dbraw/zinc/78/14/65/355781465.db2.gz NEUBJXSYZHWDBN-AWEZNQCLSA-N 1 1 309.366 1.646 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593679313 355964635 /nfs/dbraw/zinc/96/46/35/355964635.db2.gz KQCICCCUHHGJTF-KYTCBBFDSA-N 1 1 317.389 1.749 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593680421 355965863 /nfs/dbraw/zinc/96/58/63/355965863.db2.gz VNAIJCKOTBLMIZ-CYBMUJFWSA-N 1 1 311.769 1.499 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000594198977 356138583 /nfs/dbraw/zinc/13/85/83/356138583.db2.gz WXAPPBXZEBOZSJ-MNOVXSKESA-N 1 1 307.354 1.075 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594419786 356204716 /nfs/dbraw/zinc/20/47/16/356204716.db2.gz RLEVQTSVLOLULK-OLZOCXBDSA-N 1 1 318.377 1.924 20 5 DDBDMO O=[N+]([O-])c1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594494140 356237547 /nfs/dbraw/zinc/23/75/47/356237547.db2.gz UXTSHWZWUMVWFW-MRXNPFEDSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@]3(O)CCCOC3)C2)cc1 ZINC000594714291 356293985 /nfs/dbraw/zinc/29/39/85/356293985.db2.gz LXXXJDYRGOSXQL-OAHLLOKOSA-N 1 1 308.334 1.199 20 5 DDBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753104 356307539 /nfs/dbraw/zinc/30/75/39/356307539.db2.gz FZVUHQXFRZOFQF-UHFFFAOYSA-N 1 1 316.383 1.000 20 5 DDBDMO Cc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601337277 358504446 /nfs/dbraw/zinc/50/44/46/358504446.db2.gz AJXYNQHOSUHPTM-SECBINFHSA-N 1 1 317.342 1.025 20 5 DDBDMO COC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595664865 356599258 /nfs/dbraw/zinc/59/92/58/356599258.db2.gz SUOPJEQCKPAYGQ-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO COC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595664865 356599262 /nfs/dbraw/zinc/59/92/62/356599262.db2.gz SUOPJEQCKPAYGQ-UHFFFAOYSA-N 1 1 310.354 1.599 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595741694 356631134 /nfs/dbraw/zinc/63/11/34/356631134.db2.gz DBUWNENQQZKHKS-UTUOFQBUSA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595745024 356631863 /nfs/dbraw/zinc/63/18/63/356631863.db2.gz NWTKNHQNKCMWPL-OZTPJHRESA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595745024 356631868 /nfs/dbraw/zinc/63/18/68/356631868.db2.gz NWTKNHQNKCMWPL-OZTPJHRESA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595745026 356632700 /nfs/dbraw/zinc/63/27/00/356632700.db2.gz NWTKNHQNKCMWPL-ZAZJYDDPSA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595745026 356632704 /nfs/dbraw/zinc/63/27/04/356632704.db2.gz NWTKNHQNKCMWPL-ZAZJYDDPSA-N 1 1 321.377 1.871 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595728811 356624982 /nfs/dbraw/zinc/62/49/82/356624982.db2.gz PGGNRDWJKMDCQK-FZMZJTMJSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595765015 356643333 /nfs/dbraw/zinc/64/33/33/356643333.db2.gz GBQVTPNZQZGZDI-SMDDNHRTSA-N 1 1 319.361 1.329 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760054 356641094 /nfs/dbraw/zinc/64/10/94/356641094.db2.gz RWXVRWRSACDOHN-WBMJQRKESA-N 1 1 319.361 1.810 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760054 356641095 /nfs/dbraw/zinc/64/10/95/356641095.db2.gz RWXVRWRSACDOHN-WBMJQRKESA-N 1 1 319.361 1.810 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC3(COC3)C2)c1 ZINC000595835396 356671437 /nfs/dbraw/zinc/67/14/37/356671437.db2.gz PBWNQLQXYMITQG-ZDUSSCGKSA-N 1 1 308.334 1.057 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c2c(c1)COCO2 ZINC000595830710 356667945 /nfs/dbraw/zinc/66/79/45/356667945.db2.gz LGUJHLHFENSEBX-RISCZKNCSA-N 1 1 320.345 1.930 20 5 DDBDMO C[NH2+]C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000237140838 202163523 /nfs/dbraw/zinc/16/35/23/202163523.db2.gz HPRPFMGPCLCSJB-UHFFFAOYSA-N 1 1 303.322 1.295 20 5 DDBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596137796 356788187 /nfs/dbraw/zinc/78/81/87/356788187.db2.gz XDFZNWOHTDKHKD-UHFFFAOYSA-N 1 1 303.322 1.701 20 5 DDBDMO COC1CC[NH+](CCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596160451 356796803 /nfs/dbraw/zinc/79/68/03/356796803.db2.gz WFTLWHGXLMBIAQ-UHFFFAOYSA-N 1 1 314.773 1.588 20 5 DDBDMO CCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000596209672 356815496 /nfs/dbraw/zinc/81/54/96/356815496.db2.gz BAZICVRZUKBSFR-AWEZNQCLSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@@H]1C[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)CO1 ZINC000596432695 356879105 /nfs/dbraw/zinc/87/91/05/356879105.db2.gz RTUXGABZVDQRSF-WDEREUQCSA-N 1 1 324.381 1.190 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)CO1 ZINC000596432695 356879107 /nfs/dbraw/zinc/87/91/07/356879107.db2.gz RTUXGABZVDQRSF-WDEREUQCSA-N 1 1 324.381 1.190 20 5 DDBDMO CC1(C)Cc2n[nH]cc2C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000596599707 356930172 /nfs/dbraw/zinc/93/01/72/356930172.db2.gz WPCQLHVQQVHNMP-UHFFFAOYSA-N 1 1 304.354 1.599 20 5 DDBDMO Cc1[nH+]cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C ZINC000596979778 357033338 /nfs/dbraw/zinc/03/33/38/357033338.db2.gz OFGTWVFIUFXHAU-UHFFFAOYSA-N 1 1 316.365 1.354 20 5 DDBDMO COC(=O)c1ccnc(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000598626725 357660649 /nfs/dbraw/zinc/66/06/49/357660649.db2.gz HHNRPKVIMDXJDY-JTQLQIEISA-N 1 1 310.354 1.917 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647154 357669197 /nfs/dbraw/zinc/66/91/97/357669197.db2.gz CEBZUTZWMUNWBW-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647154 357669201 /nfs/dbraw/zinc/66/92/01/357669201.db2.gz CEBZUTZWMUNWBW-JHJVBQTASA-N 1 1 321.377 1.872 20 5 DDBDMO COC(=O)CCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325621 357895140 /nfs/dbraw/zinc/89/51/40/357895140.db2.gz HXQXQTYZYXMGSU-GFCCVEGCSA-N 1 1 322.365 1.819 20 5 DDBDMO NS(=O)(=O)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179520517 199049231 /nfs/dbraw/zinc/04/92/31/199049231.db2.gz XRNIGYMYXRVINK-UHFFFAOYSA-N 1 1 313.379 1.238 20 5 DDBDMO Cc1n[nH]cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179535242 199051829 /nfs/dbraw/zinc/05/18/29/199051829.db2.gz QMUZPOVRQPULBN-UHFFFAOYSA-N 1 1 301.350 1.949 20 5 DDBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652486 358008771 /nfs/dbraw/zinc/00/87/71/358008771.db2.gz NFGKZWFTSHIWBC-WAAGHKOSSA-N 1 1 303.322 1.167 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599907085 358078207 /nfs/dbraw/zinc/07/82/07/358078207.db2.gz KSOHLEIRRHCQEL-UHFFFAOYSA-N 1 1 302.334 1.801 20 5 DDBDMO O=[N+]([O-])c1ccc2nccc(N3CCC[N@H+](CCO)CC3)c2c1 ZINC000601115032 358408352 /nfs/dbraw/zinc/40/83/52/358408352.db2.gz XWSPAHMRYVDZED-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@@H+](C)CC1 ZINC000601100605 358401923 /nfs/dbraw/zinc/40/19/23/358401923.db2.gz VXSLREOSNYJULS-UHFFFAOYSA-N 1 1 307.276 1.489 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000601189386 358440030 /nfs/dbraw/zinc/44/00/30/358440030.db2.gz QPAQAWFKLAFQHS-LLVKDONJSA-N 1 1 306.366 1.614 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181066803 199247550 /nfs/dbraw/zinc/24/75/50/199247550.db2.gz VQYLMASHKWVQSF-LLVKDONJSA-N 1 1 306.366 1.781 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000602910677 359288785 /nfs/dbraw/zinc/28/87/85/359288785.db2.gz YSPOIBZRKHUVFW-ZBFHGGJFSA-N 1 1 324.377 1.700 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000602910677 359288789 /nfs/dbraw/zinc/28/87/89/359288789.db2.gz YSPOIBZRKHUVFW-ZBFHGGJFSA-N 1 1 324.377 1.700 20 5 DDBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000187688144 200145140 /nfs/dbraw/zinc/14/51/40/200145140.db2.gz LFKFMYYOLJLXNB-NSHDSACASA-N 1 1 313.785 1.747 20 5 DDBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802169 360351476 /nfs/dbraw/zinc/35/14/76/360351476.db2.gz BZFHBTDBOUNCKP-CYBMUJFWSA-N 1 1 305.382 1.570 20 5 DDBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000609802169 360351477 /nfs/dbraw/zinc/35/14/77/360351477.db2.gz BZFHBTDBOUNCKP-CYBMUJFWSA-N 1 1 305.382 1.570 20 5 DDBDMO C[N@H+]1CC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610070454 360377808 /nfs/dbraw/zinc/37/78/08/360377808.db2.gz AHJHMTNPUKMGBC-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610213582 360392067 /nfs/dbraw/zinc/39/20/67/360392067.db2.gz GZVRRJWHIHJNHP-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000610213582 360392069 /nfs/dbraw/zinc/39/20/69/360392069.db2.gz GZVRRJWHIHJNHP-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610615504 360482149 /nfs/dbraw/zinc/48/21/49/360482149.db2.gz HSXPCRDSACSXGE-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610615504 360482154 /nfs/dbraw/zinc/48/21/54/360482154.db2.gz HSXPCRDSACSXGE-AWEZNQCLSA-N 1 1 319.361 1.595 20 5 DDBDMO COCC1([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611178734 360650735 /nfs/dbraw/zinc/65/07/35/360650735.db2.gz LBDCIXYETYVRHL-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO COCC1([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611178734 360650738 /nfs/dbraw/zinc/65/07/38/360650738.db2.gz LBDCIXYETYVRHL-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611088054 360618911 /nfs/dbraw/zinc/61/89/11/360618911.db2.gz AQCFRFFLOIEQKD-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611088054 360618914 /nfs/dbraw/zinc/61/89/14/360618914.db2.gz AQCFRFFLOIEQKD-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092510 360621291 /nfs/dbraw/zinc/62/12/91/360621291.db2.gz WSYSCHAEXGWCKF-ZDUSSCGKSA-N 1 1 320.393 1.584 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000611296530 360693162 /nfs/dbraw/zinc/69/31/62/360693162.db2.gz OBTRIUBXJWHWSQ-OAHLLOKOSA-N 1 1 320.393 1.989 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561472 360759956 /nfs/dbraw/zinc/75/99/56/360759956.db2.gz JKYVDYALLWVJPW-MNOVXSKESA-N 1 1 308.334 1.569 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]2C1 ZINC000618763285 363753407 /nfs/dbraw/zinc/75/34/07/363753407.db2.gz IQVCYOQWVBQAOO-PHIMTYICSA-N 1 1 302.334 1.729 20 5 DDBDMO CN(C)CC[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193384463 201043351 /nfs/dbraw/zinc/04/33/51/201043351.db2.gz DXWIBLTZMSNBKB-UHFFFAOYSA-N 1 1 307.398 1.615 20 5 DDBDMO CCC[N@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000613919919 361631702 /nfs/dbraw/zinc/63/17/02/361631702.db2.gz YRUPOGBSJVXKLP-LLVKDONJSA-N 1 1 308.382 1.813 20 5 DDBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000249732995 202812916 /nfs/dbraw/zinc/81/29/16/202812916.db2.gz BSDYXMVATFXHMZ-XQQFMLRXSA-N 1 1 323.397 1.274 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000349774540 284047852 /nfs/dbraw/zinc/04/78/52/284047852.db2.gz IKSMEBMMOAPEGN-NSHDSACASA-N 1 1 315.395 1.602 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261893666 203145826 /nfs/dbraw/zinc/14/58/26/203145826.db2.gz FWFOWWCLUNEZEA-GFCCVEGCSA-N 1 1 318.358 1.838 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000350036449 284136526 /nfs/dbraw/zinc/13/65/26/284136526.db2.gz USLMFHBIQUFAHK-UHFFFAOYSA-N 1 1 311.386 1.375 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000264593991 204016690 /nfs/dbraw/zinc/01/66/90/204016690.db2.gz GDMNGTQCMLKAJL-UHFFFAOYSA-N 1 1 311.386 1.731 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282495212 217039244 /nfs/dbraw/zinc/03/92/44/217039244.db2.gz MXTIWGWHJQHXDP-GFCCVEGCSA-N 1 1 311.357 1.886 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000288403712 220135933 /nfs/dbraw/zinc/13/59/33/220135933.db2.gz LHQIHRJATASARS-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000288403712 220135935 /nfs/dbraw/zinc/13/59/35/220135935.db2.gz LHQIHRJATASARS-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288484433 220171900 /nfs/dbraw/zinc/17/19/00/220171900.db2.gz PLSCFGJPNHVFSX-LBPRGKRZSA-N 1 1 307.350 1.526 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284795935 218180915 /nfs/dbraw/zinc/18/09/15/218180915.db2.gz OGZBJKJROSBOJF-DZGCQCFKSA-N 1 1 319.361 1.837 20 5 DDBDMO COc1ccc(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000339137939 250309662 /nfs/dbraw/zinc/30/96/62/250309662.db2.gz XMHMPHJXGROSAX-LBPRGKRZSA-N 1 1 307.350 1.833 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106786755 194251927 /nfs/dbraw/zinc/25/19/27/194251927.db2.gz JXKQSIOHIHFUAJ-LLVKDONJSA-N 1 1 321.381 1.383 20 5 DDBDMO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCOCC1 ZINC000340586393 251124002 /nfs/dbraw/zinc/12/40/02/251124002.db2.gz WEAVPNZPWJMCKP-LBPRGKRZSA-N 1 1 324.381 1.400 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917675 251275965 /nfs/dbraw/zinc/27/59/65/251275965.db2.gz UWDBFHJLMILHSN-CABZTGNLSA-N 1 1 304.306 1.600 20 5 DDBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000340917675 251275968 /nfs/dbraw/zinc/27/59/68/251275968.db2.gz UWDBFHJLMILHSN-CABZTGNLSA-N 1 1 304.306 1.600 20 5 DDBDMO CC1CC[NH+](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269104864 207242966 /nfs/dbraw/zinc/24/29/66/207242966.db2.gz BBAHSMBQLIWJJW-UHFFFAOYSA-N 1 1 307.350 1.762 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000269159270 207283654 /nfs/dbraw/zinc/28/36/54/207283654.db2.gz APJHZENUJBSFQX-VHSXEESVSA-N 1 1 317.349 1.589 20 5 DDBDMO Cc1cc(C(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000352382844 285011192 /nfs/dbraw/zinc/01/11/92/285011192.db2.gz SUHYNTOXTXSPGI-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO COc1cc(C[N@@H+]2CCCN(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000352405601 285029140 /nfs/dbraw/zinc/02/91/40/285029140.db2.gz NEBOIWXXRPMGBF-UHFFFAOYSA-N 1 1 308.338 1.190 20 5 DDBDMO COc1cc(C[N@H+]2CCCN(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000352405601 285029143 /nfs/dbraw/zinc/02/91/43/285029143.db2.gz NEBOIWXXRPMGBF-UHFFFAOYSA-N 1 1 308.338 1.190 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000120191410 195115202 /nfs/dbraw/zinc/11/52/02/195115202.db2.gz NQOXFRWBZBJENN-AWEZNQCLSA-N 1 1 303.322 1.340 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000157335875 197180173 /nfs/dbraw/zinc/18/01/73/197180173.db2.gz CHLHAKGNAVZDRH-UHFFFAOYSA-N 1 1 319.340 1.753 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419350882 533137316 /nfs/dbraw/zinc/13/73/16/533137316.db2.gz ZYWFAGMMRKAWIR-STQMWFEESA-N 1 1 323.393 1.490 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121625087 195319825 /nfs/dbraw/zinc/31/98/25/195319825.db2.gz BFVHPNCNYMQYKK-CYBMUJFWSA-N 1 1 321.425 1.984 20 5 DDBDMO COC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547225 533570178 /nfs/dbraw/zinc/57/01/78/533570178.db2.gz KOXZQPCGCBWWTQ-CZUORRHYSA-N 1 1 322.361 1.698 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046990347 407068513 /nfs/dbraw/zinc/06/85/13/407068513.db2.gz DNFCRLQFYYLAQC-ZDUSSCGKSA-N 1 1 323.397 1.420 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123492705 407330375 /nfs/dbraw/zinc/33/03/75/407330375.db2.gz CFWJLSFMUFSWES-ZYHUDNBSSA-N 1 1 309.370 1.041 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000123689927 407336563 /nfs/dbraw/zinc/33/65/63/407336563.db2.gz XGHWPKDJYVCAMC-LLVKDONJSA-N 1 1 323.397 1.631 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000108341539 407384621 /nfs/dbraw/zinc/38/46/21/407384621.db2.gz GJQQWLLMPAUIDF-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccc([N+](=O)[O-])cc1 ZINC000111320449 407407608 /nfs/dbraw/zinc/40/76/08/407407608.db2.gz YUTGANBZJHNSPV-YIONKMFJSA-N 1 1 319.361 1.545 20 5 DDBDMO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccc([N+](=O)[O-])cc1 ZINC000111320449 407407609 /nfs/dbraw/zinc/40/76/09/407407609.db2.gz YUTGANBZJHNSPV-YIONKMFJSA-N 1 1 319.361 1.545 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000270999644 407461547 /nfs/dbraw/zinc/46/15/47/407461547.db2.gz YSKBSBUVENXMOG-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000270999644 407461556 /nfs/dbraw/zinc/46/15/56/407461556.db2.gz YSKBSBUVENXMOG-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265802582 407462501 /nfs/dbraw/zinc/46/25/01/407462501.db2.gz OGFHGEREPAZNLK-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271339260 407643187 /nfs/dbraw/zinc/64/31/87/407643187.db2.gz CIUTTXXTHJYPHS-LLVKDONJSA-N 1 1 309.370 1.323 20 5 DDBDMO C[C@@H]([NH3+])C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000261865530 407646667 /nfs/dbraw/zinc/64/66/67/407646667.db2.gz GKUBYUNEJRGWNF-SNVBAGLBSA-N 1 1 306.366 1.253 20 5 DDBDMO CCc1n[nH]c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171397333 407681011 /nfs/dbraw/zinc/68/10/11/407681011.db2.gz FHWBLZNPIBGIQU-SNVBAGLBSA-N 1 1 321.337 1.506 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000267006356 407713918 /nfs/dbraw/zinc/71/39/18/407713918.db2.gz FWUSDYFCYDSLTL-ZDUSSCGKSA-N 1 1 323.368 1.888 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000186713432 407753769 /nfs/dbraw/zinc/75/37/69/407753769.db2.gz IISVSFPLNQNLCN-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO O=C1NCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267075145 407737966 /nfs/dbraw/zinc/73/79/66/407737966.db2.gz WQUSRZMEQJWOGJ-UHFFFAOYSA-N 1 1 322.340 1.724 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117295017 407825095 /nfs/dbraw/zinc/82/50/95/407825095.db2.gz WUISOKGMAHPNAD-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000117295017 407825100 /nfs/dbraw/zinc/82/51/00/407825100.db2.gz WUISOKGMAHPNAD-ZDUSSCGKSA-N 1 1 321.377 1.696 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000133353211 407831942 /nfs/dbraw/zinc/83/19/42/407831942.db2.gz MOUIZIYRVPZFRR-LBPRGKRZSA-N 1 1 321.381 1.090 20 5 DDBDMO Cc1nn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000179858431 407838603 /nfs/dbraw/zinc/83/86/03/407838603.db2.gz IFLRJGCOLSEDER-OAHLLOKOSA-N 1 1 316.361 1.519 20 5 DDBDMO O=C1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]2N1 ZINC000133487512 407850472 /nfs/dbraw/zinc/85/04/72/407850472.db2.gz BTXKYAHKVXEELQ-CABCVRRESA-N 1 1 303.362 1.880 20 5 DDBDMO O=C1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]2N1 ZINC000133487512 407850482 /nfs/dbraw/zinc/85/04/82/407850482.db2.gz BTXKYAHKVXEELQ-CABCVRRESA-N 1 1 303.362 1.880 20 5 DDBDMO CC[N@@H+](CCO)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000118835299 407950214 /nfs/dbraw/zinc/95/02/14/407950214.db2.gz YJIBKXRVLCQGJW-UHFFFAOYSA-N 1 1 311.338 1.246 20 5 DDBDMO C[N@@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268220548 407955098 /nfs/dbraw/zinc/95/50/98/407955098.db2.gz JSCLGOCZHYZPJX-LBPRGKRZSA-N 1 1 313.741 1.195 20 5 DDBDMO C[N@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000268220548 407955104 /nfs/dbraw/zinc/95/51/04/407955104.db2.gz JSCLGOCZHYZPJX-LBPRGKRZSA-N 1 1 313.741 1.195 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000174518104 407957708 /nfs/dbraw/zinc/95/77/08/407957708.db2.gz LOYUCVCHVFAGQJ-LBPRGKRZSA-N 1 1 306.366 1.712 20 5 DDBDMO Cc1c(CC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272520987 407961938 /nfs/dbraw/zinc/96/19/38/407961938.db2.gz PWWGFRJQIGPQFO-CZUORRHYSA-N 1 1 317.389 1.998 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153847734 407918042 /nfs/dbraw/zinc/91/80/42/407918042.db2.gz XWPOYHIRXDBXNN-LBPRGKRZSA-N 1 1 309.370 1.042 20 5 DDBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155573070 408183776 /nfs/dbraw/zinc/18/37/76/408183776.db2.gz HHQJNGMEONOWNM-UHFFFAOYSA-N 1 1 315.395 1.522 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000246398234 408245478 /nfs/dbraw/zinc/24/54/78/408245478.db2.gz FGQZCAKNIMSQHN-CMPLNLGQSA-N 1 1 306.366 1.589 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269310367 408261710 /nfs/dbraw/zinc/26/17/10/408261710.db2.gz FUMXRFWUNNWROM-UHFFFAOYSA-N 1 1 309.370 1.608 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000190404578 408236927 /nfs/dbraw/zinc/23/69/27/408236927.db2.gz YCBSFIUNHOCDRG-XHDPSFHLSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000246721809 408326046 /nfs/dbraw/zinc/32/60/46/408326046.db2.gz LLXHPKQFPPDTPU-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000246721809 408326051 /nfs/dbraw/zinc/32/60/51/408326051.db2.gz LLXHPKQFPPDTPU-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269327304 408270746 /nfs/dbraw/zinc/27/07/46/408270746.db2.gz DLRKKZXPTHVDSB-UHFFFAOYSA-N 1 1 309.370 1.609 20 5 DDBDMO CC[N@@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269327304 408270752 /nfs/dbraw/zinc/27/07/52/408270752.db2.gz DLRKKZXPTHVDSB-UHFFFAOYSA-N 1 1 309.370 1.609 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269327304 408270755 /nfs/dbraw/zinc/27/07/55/408270755.db2.gz DLRKKZXPTHVDSB-UHFFFAOYSA-N 1 1 309.370 1.609 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000269439047 408311146 /nfs/dbraw/zinc/31/11/46/408311146.db2.gz DCXBPYUYZNTRRR-CQSZACIVSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247511982 408484984 /nfs/dbraw/zinc/48/49/84/408484984.db2.gz VTHTYBKRYNZQCH-WCQYABFASA-N 1 1 323.397 1.431 20 5 DDBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248374108 408553208 /nfs/dbraw/zinc/55/32/08/408553208.db2.gz NVWLNCNRYMMPAR-XQQFMLRXSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000248374108 408553211 /nfs/dbraw/zinc/55/32/11/408553211.db2.gz NVWLNCNRYMMPAR-XQQFMLRXSA-N 1 1 310.350 1.444 20 5 DDBDMO C[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000270551592 408574825 /nfs/dbraw/zinc/57/48/25/408574825.db2.gz BLHSPPCOVNJLTH-RISCZKNCSA-N 1 1 305.338 1.240 20 5 DDBDMO Cc1ccnc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265196173 408575897 /nfs/dbraw/zinc/57/58/97/408575897.db2.gz LTEZMZBQDGJXFK-CQSZACIVSA-N 1 1 321.425 1.982 20 5 DDBDMO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000275052572 408576515 /nfs/dbraw/zinc/57/65/15/408576515.db2.gz TXXBRCWWMXWDHW-JTQLQIEISA-N 1 1 310.310 1.006 20 5 DDBDMO COc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192529527 408606621 /nfs/dbraw/zinc/60/66/21/408606621.db2.gz PZCKQLWTBFONHC-TXEJJXNPSA-N 1 1 305.334 1.237 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248650912 408608857 /nfs/dbraw/zinc/60/88/57/408608857.db2.gz AHOPVGYJAVIQDY-RYUDHWBXSA-N 1 1 322.365 1.514 20 5 DDBDMO NC(=O)c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248783031 408633314 /nfs/dbraw/zinc/63/33/14/408633314.db2.gz WWIRTXKAEIRAEB-LBPRGKRZSA-N 1 1 304.350 1.368 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270841171 408705084 /nfs/dbraw/zinc/70/50/84/408705084.db2.gz FFHZRDOSDQBJOY-AWEZNQCLSA-N 1 1 319.361 1.800 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270841171 408705087 /nfs/dbraw/zinc/70/50/87/408705087.db2.gz FFHZRDOSDQBJOY-AWEZNQCLSA-N 1 1 319.361 1.800 20 5 DDBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000162670464 408727300 /nfs/dbraw/zinc/72/73/00/408727300.db2.gz WGGAEJYSPPVETO-CMPLNLGQSA-N 1 1 319.365 1.407 20 5 DDBDMO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1O ZINC000249568586 408743118 /nfs/dbraw/zinc/74/31/18/408743118.db2.gz NOXJMGAIKGNBIV-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1O ZINC000249568586 408743124 /nfs/dbraw/zinc/74/31/24/408743124.db2.gz NOXJMGAIKGNBIV-KCPJHIHWSA-N 1 1 319.361 1.403 20 5 DDBDMO CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000270932654 408747194 /nfs/dbraw/zinc/74/71/94/408747194.db2.gz QIWAYYPVQJQEHU-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000270932654 408747197 /nfs/dbraw/zinc/74/71/97/408747197.db2.gz QIWAYYPVQJQEHU-ZWNOBZJWSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249599047 408749014 /nfs/dbraw/zinc/74/90/14/408749014.db2.gz XQKFUJGWWZLFAB-OSAQELSMSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000290869316 408847757 /nfs/dbraw/zinc/84/77/57/408847757.db2.gz ZNTBDLSLMDJGNF-GFCCVEGCSA-N 1 1 317.345 1.977 20 5 DDBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285746221 408855684 /nfs/dbraw/zinc/85/56/84/408855684.db2.gz HJXCSRZJABAVCB-WDEREUQCSA-N 1 1 321.381 1.701 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281842916 408940063 /nfs/dbraw/zinc/94/00/63/408940063.db2.gz YPJZGIBJCQSNMP-MFKMUULPSA-N 1 1 307.350 1.693 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000292144850 408989432 /nfs/dbraw/zinc/98/94/32/408989432.db2.gz MWPWKPACMVZBKP-MRXNPFEDSA-N 1 1 318.377 1.561 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000277690967 408993110 /nfs/dbraw/zinc/99/31/10/408993110.db2.gz KJIPTQYKDIIJQM-QWRGUYRKSA-N 1 1 307.354 1.237 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000292257049 409010886 /nfs/dbraw/zinc/01/08/86/409010886.db2.gz YFJGGWIJUMHMNZ-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO Cc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701771 409039424 /nfs/dbraw/zinc/03/94/24/409039424.db2.gz SBOMCNDSZACXGE-CABCVRRESA-N 1 1 309.341 1.952 20 5 DDBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000278398494 409079860 /nfs/dbraw/zinc/07/98/60/409079860.db2.gz WCFCSRITTLIYLB-GOEBONIOSA-N 1 1 324.377 1.441 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279486154 409224483 /nfs/dbraw/zinc/22/44/83/409224483.db2.gz RENRAPWRKUQVIZ-NOZJJQNGSA-N 1 1 324.356 1.728 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000284350128 409330682 /nfs/dbraw/zinc/33/06/82/409330682.db2.gz MFSPIUBWGDDFOX-ZWXLGZMVSA-N 1 1 319.405 1.995 20 5 DDBDMO CCc1ccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295355974 409448916 /nfs/dbraw/zinc/44/89/16/409448916.db2.gz ZCUKGGOLGHCGTJ-OAHLLOKOSA-N 1 1 309.341 1.931 20 5 DDBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408144232 164241932 /nfs/dbraw/zinc/24/19/32/164241932.db2.gz HNHNOXLHBMRBGU-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408144232 164241934 /nfs/dbraw/zinc/24/19/34/164241934.db2.gz HNHNOXLHBMRBGU-VHSXEESVSA-N 1 1 321.333 1.488 20 5 DDBDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000304004251 409559503 /nfs/dbraw/zinc/55/95/03/409559503.db2.gz SHSUFFFAIANROW-LBPRGKRZSA-N 1 1 321.377 1.575 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356793550 409613327 /nfs/dbraw/zinc/61/33/27/409613327.db2.gz MFDVNPIRHISQSJ-QWRGUYRKSA-N 1 1 306.366 1.483 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000338077884 409699032 /nfs/dbraw/zinc/69/90/32/409699032.db2.gz IQQNFGUVJBIDNK-GFCCVEGCSA-N 1 1 306.366 1.760 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471799 409659423 /nfs/dbraw/zinc/65/94/23/409659423.db2.gz LMBGWJCXWGIIQI-SMDDNHRTSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342471799 409659433 /nfs/dbraw/zinc/65/94/33/409659433.db2.gz LMBGWJCXWGIIQI-SMDDNHRTSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000354405379 409831504 /nfs/dbraw/zinc/83/15/04/409831504.db2.gz UQPXDKDFALEWRQ-CMPLNLGQSA-N 1 1 323.397 1.582 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224449 409863884 /nfs/dbraw/zinc/86/38/84/409863884.db2.gz NUHFUYOGNIDLPV-LOWVWBTDSA-N 1 1 306.366 1.725 20 5 DDBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332114504 409897539 /nfs/dbraw/zinc/89/75/39/409897539.db2.gz WTQIKLZOJNIETN-HNNXBMFYSA-N 1 1 318.377 1.627 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357392602 410010062 /nfs/dbraw/zinc/01/00/62/410010062.db2.gz OAOIUFQQRAXKPC-CHWSQXEVSA-N 1 1 320.393 1.996 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000354741677 410051865 /nfs/dbraw/zinc/05/18/65/410051865.db2.gz DAYJDQWWTDZNJD-CYBMUJFWSA-N 1 1 319.409 1.595 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C1CCN(C)CC1 ZINC000354741677 410051872 /nfs/dbraw/zinc/05/18/72/410051872.db2.gz DAYJDQWWTDZNJD-CYBMUJFWSA-N 1 1 319.409 1.595 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000339139770 410066243 /nfs/dbraw/zinc/06/62/43/410066243.db2.gz JEECMDPSJQFTTQ-GFCCVEGCSA-N 1 1 307.350 1.704 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000339133972 410062786 /nfs/dbraw/zinc/06/27/86/410062786.db2.gz BNBSKHRHMQIHPM-GXTWGEPZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000339133972 410062791 /nfs/dbraw/zinc/06/27/91/410062791.db2.gz BNBSKHRHMQIHPM-GXTWGEPZSA-N 1 1 321.377 1.935 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000298085588 410105800 /nfs/dbraw/zinc/10/58/00/410105800.db2.gz HQAOSMTZCLYWPR-GFCCVEGCSA-N 1 1 307.350 1.628 20 5 DDBDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000332599261 410190887 /nfs/dbraw/zinc/19/08/87/410190887.db2.gz IPGFPMLUOVHJEM-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000332599261 410190895 /nfs/dbraw/zinc/19/08/95/410190895.db2.gz IPGFPMLUOVHJEM-UWVGGRQHSA-N 1 1 321.333 1.488 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351827959 410272150 /nfs/dbraw/zinc/27/21/50/410272150.db2.gz MSUSNIUMXFCBPM-SMDDNHRTSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000339632119 410343518 /nfs/dbraw/zinc/34/35/18/410343518.db2.gz WSMZFLLBZJAREM-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339632119 410343522 /nfs/dbraw/zinc/34/35/22/410343522.db2.gz WSMZFLLBZJAREM-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339632119 410343529 /nfs/dbraw/zinc/34/35/29/410343529.db2.gz WSMZFLLBZJAREM-BETUJISGSA-N 1 1 320.393 1.948 20 5 DDBDMO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343392681 410418376 /nfs/dbraw/zinc/41/83/76/410418376.db2.gz CKGRTIYGEVNADJ-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000343392681 410418378 /nfs/dbraw/zinc/41/83/78/410418378.db2.gz CKGRTIYGEVNADJ-LLVKDONJSA-N 1 1 323.349 1.807 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334042896 410625457 /nfs/dbraw/zinc/62/54/57/410625457.db2.gz ZJOOVADPLCQLMS-QWRGUYRKSA-N 1 1 307.350 1.816 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000301084449 410653595 /nfs/dbraw/zinc/65/35/95/410653595.db2.gz DFEHSNJDGBXLLG-JTQLQIEISA-N 1 1 317.349 1.997 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000337310862 410709668 /nfs/dbraw/zinc/70/96/68/410709668.db2.gz BOQVATCONKFUIF-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000337310862 410709674 /nfs/dbraw/zinc/70/96/74/410709674.db2.gz BOQVATCONKFUIF-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000337310862 410709678 /nfs/dbraw/zinc/70/96/78/410709678.db2.gz BOQVATCONKFUIF-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340207727 410752409 /nfs/dbraw/zinc/75/24/09/410752409.db2.gz YXGUXKLVGJFNPS-QWRGUYRKSA-N 1 1 322.287 1.569 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340207727 410752414 /nfs/dbraw/zinc/75/24/14/410752414.db2.gz YXGUXKLVGJFNPS-QWRGUYRKSA-N 1 1 322.287 1.569 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000337476466 410815503 /nfs/dbraw/zinc/81/55/03/410815503.db2.gz SJWHAPYXTZMOCF-NWDGAFQWSA-N 1 1 307.350 1.484 20 5 DDBDMO Cc1c(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330581315 410797917 /nfs/dbraw/zinc/79/79/17/410797917.db2.gz JBGSCRZQYMPNPB-NEPJUHHUSA-N 1 1 305.378 1.997 20 5 DDBDMO Cn1nccc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348372755 410939493 /nfs/dbraw/zinc/93/94/93/410939493.db2.gz OPJHJOMOQTXUEX-AWEZNQCLSA-N 1 1 320.349 1.200 20 5 DDBDMO Cn1nccc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348372755 410939499 /nfs/dbraw/zinc/93/94/99/410939499.db2.gz OPJHJOMOQTXUEX-AWEZNQCLSA-N 1 1 320.349 1.200 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331111879 410954289 /nfs/dbraw/zinc/95/42/89/410954289.db2.gz LMHTXUFSHZBTBD-QWHCGFSZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000331111879 410954296 /nfs/dbraw/zinc/95/42/96/410954296.db2.gz LMHTXUFSHZBTBD-QWHCGFSZSA-N 1 1 324.377 1.834 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556869 411015075 /nfs/dbraw/zinc/01/50/75/411015075.db2.gz QCPRJOWQPBLULT-DGCLKSJQSA-N 1 1 310.350 1.957 20 5 DDBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC(O)C1 ZINC000353495453 411030235 /nfs/dbraw/zinc/03/02/35/411030235.db2.gz NZBXGYRRFULLAM-UHFFFAOYSA-N 1 1 321.333 1.348 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000130772091 196108016 /nfs/dbraw/zinc/10/80/16/196108016.db2.gz XODWMMHOAMMUPP-UHFFFAOYSA-N 1 1 317.349 1.844 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000271634994 209079805 /nfs/dbraw/zinc/07/98/05/209079805.db2.gz PXBHSJITOYZJDH-ZDUSSCGKSA-N 1 1 323.393 1.756 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000366514973 418483578 /nfs/dbraw/zinc/48/35/78/418483578.db2.gz LACOSYCDSUBFQE-MRXNPFEDSA-N 1 1 305.378 1.544 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000366571585 418492400 /nfs/dbraw/zinc/49/24/00/418492400.db2.gz XVCOUZARXKHXIS-CBSYICTRSA-N 1 1 315.329 1.203 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366953779 418542479 /nfs/dbraw/zinc/54/24/79/418542479.db2.gz GTUHCMIFSDNHGS-CQSZACIVSA-N 1 1 309.341 1.640 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290936322 418578792 /nfs/dbraw/zinc/57/87/92/418578792.db2.gz KSFKGVQGYQDDGA-UHFFFAOYSA-N 1 1 317.349 1.791 20 5 DDBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361583626 418686313 /nfs/dbraw/zinc/68/63/13/418686313.db2.gz LPGOJQURIIQLMF-DOMZBBRYSA-N 1 1 310.350 1.445 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000390641838 418755146 /nfs/dbraw/zinc/75/51/46/418755146.db2.gz SMWIWRSGFXCWGI-ZDUSSCGKSA-N 1 1 312.366 1.530 20 5 DDBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408145510 418789240 /nfs/dbraw/zinc/78/92/40/418789240.db2.gz SQIVLRNPNWHDPA-VIFPVBQESA-N 1 1 307.306 1.100 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000408145510 418789242 /nfs/dbraw/zinc/78/92/42/418789242.db2.gz SQIVLRNPNWHDPA-VIFPVBQESA-N 1 1 307.306 1.100 20 5 DDBDMO O=C(CC[N@@H+]1CCCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411167299 418875875 /nfs/dbraw/zinc/87/58/75/418875875.db2.gz NXBMBFKVQNSPNS-AWEZNQCLSA-N 1 1 307.350 1.770 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000372154706 418840389 /nfs/dbraw/zinc/84/03/89/418840389.db2.gz HUBJICSKXCWNDC-ZWNOBZJWSA-N 1 1 313.379 1.279 20 5 DDBDMO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000372154706 418840390 /nfs/dbraw/zinc/84/03/90/418840390.db2.gz HUBJICSKXCWNDC-ZWNOBZJWSA-N 1 1 313.379 1.279 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000420968516 419390882 /nfs/dbraw/zinc/39/08/82/419390882.db2.gz CBAUIEUKQBPRAV-NSHDSACASA-N 1 1 307.350 1.561 20 5 DDBDMO CCOc1cc(C[N@H+]2CC[C@H](C(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000420970436 419392771 /nfs/dbraw/zinc/39/27/71/419392771.db2.gz GGCGKUSMWZXDKZ-LBPRGKRZSA-N 1 1 307.350 1.561 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1COC1 ZINC000411777037 419402641 /nfs/dbraw/zinc/40/26/41/419402641.db2.gz ZJERXFJKBDPKKC-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000426230007 419412417 /nfs/dbraw/zinc/41/24/17/419412417.db2.gz JTHPGXCFCIDNLL-QWHCGFSZSA-N 1 1 310.350 1.181 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000413467294 419786372 /nfs/dbraw/zinc/78/63/72/419786372.db2.gz CIPATMRPLOBMGW-LSDHHAIUSA-N 1 1 314.345 1.662 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCNC1 ZINC000414866950 419849753 /nfs/dbraw/zinc/84/97/53/419849753.db2.gz NMYSGJYNAAXFHI-YPMHNXCESA-N 1 1 306.366 1.654 20 5 DDBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000429027298 419964064 /nfs/dbraw/zinc/96/40/64/419964064.db2.gz DRMGBCUDPQHEQX-MCIONIFRSA-N 1 1 307.398 1.453 20 5 DDBDMO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC1 ZINC000430239610 420095026 /nfs/dbraw/zinc/09/50/26/420095026.db2.gz BFZHMHLSRPQHSE-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC1 ZINC000430239610 420095031 /nfs/dbraw/zinc/09/50/31/420095031.db2.gz BFZHMHLSRPQHSE-AWEZNQCLSA-N 1 1 310.350 1.841 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416301902 420318883 /nfs/dbraw/zinc/31/88/83/420318883.db2.gz VWAAVNSGLKYPQA-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416301902 420318888 /nfs/dbraw/zinc/31/88/88/420318888.db2.gz VWAAVNSGLKYPQA-QWHCGFSZSA-N 1 1 321.377 1.430 20 5 DDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000302129111 230110282 /nfs/dbraw/zinc/11/02/82/230110282.db2.gz BLFYMHBPQLQYBH-LLVKDONJSA-N 1 1 302.338 1.577 20 5 DDBDMO COCCC[N@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597528 230110316 /nfs/dbraw/zinc/11/03/16/230110316.db2.gz MNNIWHYQGAIVKF-UHFFFAOYSA-N 1 1 322.365 1.956 20 5 DDBDMO COCCC[N@@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597528 230110317 /nfs/dbraw/zinc/11/03/17/230110317.db2.gz MNNIWHYQGAIVKF-UHFFFAOYSA-N 1 1 322.365 1.956 20 5 DDBDMO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000444979769 230148436 /nfs/dbraw/zinc/14/84/36/230148436.db2.gz AYEUQKMBXFCPBD-LLVKDONJSA-N 1 1 306.322 1.004 20 5 DDBDMO CCOc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450792382 420532318 /nfs/dbraw/zinc/53/23/18/420532318.db2.gz KAGDJPKNUVDQAA-BETUJISGSA-N 1 1 323.393 1.885 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000457108890 420617466 /nfs/dbraw/zinc/61/74/66/420617466.db2.gz GIXVHPZXYQOKEV-NSHDSACASA-N 1 1 306.366 1.732 20 5 DDBDMO COc1ccc(OCCN2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442762639 420710048 /nfs/dbraw/zinc/71/00/48/420710048.db2.gz CHMFMQNCAHBPMN-RYUDHWBXSA-N 1 1 309.366 1.651 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000487948950 421059534 /nfs/dbraw/zinc/05/95/34/421059534.db2.gz MYWBOJQSNDAASZ-OCCSQVGLSA-N 1 1 305.378 1.793 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)C1CC1 ZINC000455402811 421008143 /nfs/dbraw/zinc/00/81/43/421008143.db2.gz OWSWPULTSLBMHC-UHFFFAOYSA-N 1 1 307.354 1.246 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000456012245 421088634 /nfs/dbraw/zinc/08/86/34/421088634.db2.gz HZYCVIKSZNATRB-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000456012245 421088637 /nfs/dbraw/zinc/08/86/37/421088637.db2.gz HZYCVIKSZNATRB-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456019968 421089935 /nfs/dbraw/zinc/08/99/35/421089935.db2.gz IOKUWNFUAOTOEZ-SKDRFNHKSA-N 1 1 319.365 1.244 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456227260 421129683 /nfs/dbraw/zinc/12/96/83/421129683.db2.gz PBNHOAQCQSVGPO-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000456227260 421129685 /nfs/dbraw/zinc/12/96/85/421129685.db2.gz PBNHOAQCQSVGPO-BETUJISGSA-N 1 1 321.377 1.430 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548414116 421436061 /nfs/dbraw/zinc/43/60/61/421436061.db2.gz PRXHXPGSJLVGKK-NSHDSACASA-N 1 1 321.381 1.422 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000571577373 421728077 /nfs/dbraw/zinc/72/80/77/421728077.db2.gz OWLBBQTYIFDNEC-GHMZBOCLSA-N 1 1 318.377 1.992 20 5 DDBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000570826067 421672188 /nfs/dbraw/zinc/67/21/88/421672188.db2.gz YPRAOLZBOGRWJA-NSHDSACASA-N 1 1 323.397 1.948 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000533827346 421683187 /nfs/dbraw/zinc/68/31/87/421683187.db2.gz BCKFMSAUCJBLBH-LBPRGKRZSA-N 1 1 315.333 1.543 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1[N+](=O)[O-] ZINC000533827346 421683189 /nfs/dbraw/zinc/68/31/89/421683189.db2.gz BCKFMSAUCJBLBH-LBPRGKRZSA-N 1 1 315.333 1.543 20 5 DDBDMO C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+]1CC(C)C1 ZINC000520836416 421765628 /nfs/dbraw/zinc/76/56/28/421765628.db2.gz NUFRXFORBIDRGU-NSHDSACASA-N 1 1 304.350 1.215 20 5 DDBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000581414160 421966377 /nfs/dbraw/zinc/96/63/77/421966377.db2.gz QFKPYJBCDJWJMO-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO COc1ccc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936389 533687247 /nfs/dbraw/zinc/68/72/47/533687247.db2.gz BNIXBNRPQNYNGA-CVEARBPZSA-N 1 1 321.377 1.460 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000341978023 271264485 /nfs/dbraw/zinc/26/44/85/271264485.db2.gz XFMBTZBXLBURAG-GOEBONIOSA-N 1 1 322.361 1.589 20 5 DDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342099183 271296987 /nfs/dbraw/zinc/29/69/87/271296987.db2.gz SXEGWLUYZOLEJK-NSHDSACASA-N 1 1 324.356 1.733 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNCC1([NH3+])CCC1 ZINC000342128247 271308431 /nfs/dbraw/zinc/30/84/31/271308431.db2.gz KTIPTTBTCLKCKU-UHFFFAOYSA-N 1 1 306.366 1.703 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]CC1(N)CCC1 ZINC000342128247 271308436 /nfs/dbraw/zinc/30/84/36/271308436.db2.gz KTIPTTBTCLKCKU-UHFFFAOYSA-N 1 1 306.366 1.703 20 5 DDBDMO CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000342283346 271365951 /nfs/dbraw/zinc/36/59/51/271365951.db2.gz QVXIHJKLOCDFST-BDJLRTHQSA-N 1 1 321.377 1.975 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344645710 272079001 /nfs/dbraw/zinc/07/90/01/272079001.db2.gz PUIDMORIXLKRFZ-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+](C2CCC2)C1 ZINC000344696846 272093522 /nfs/dbraw/zinc/09/35/22/272093522.db2.gz HRXQGDQDDHDJHR-LLVKDONJSA-N 1 1 321.381 1.275 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000413471281 274017234 /nfs/dbraw/zinc/01/72/34/274017234.db2.gz FEDHGOZWIVBKFB-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000290968697 274118379 /nfs/dbraw/zinc/11/83/79/274118379.db2.gz PNSLJLWOEIXGLM-UHFFFAOYSA-N 1 1 303.322 1.653 20 5 DDBDMO CCC[NH+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286733976 276013239 /nfs/dbraw/zinc/01/32/39/276013239.db2.gz DTKGNUWAQPTOMU-UHFFFAOYSA-N 1 1 322.365 1.617 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000174534506 276205646 /nfs/dbraw/zinc/20/56/46/276205646.db2.gz DTVRJUFHQTUCHU-CQSZACIVSA-N 1 1 305.334 1.205 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000174534506 276205648 /nfs/dbraw/zinc/20/56/48/276205648.db2.gz DTVRJUFHQTUCHU-CQSZACIVSA-N 1 1 305.334 1.205 20 5 DDBDMO CC(C)(O)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000189913596 277314530 /nfs/dbraw/zinc/31/45/30/277314530.db2.gz HHMAWGCDADFIAE-UHFFFAOYSA-N 1 1 307.350 1.429 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284669842 280394734 /nfs/dbraw/zinc/39/47/34/280394734.db2.gz GUTZNXJURBHRSG-ZIAGYGMSSA-N 1 1 307.350 1.400 20 5 DDBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000363326558 300251993 /nfs/dbraw/zinc/25/19/93/300251993.db2.gz ZAOFJRHOSLJLAO-UHFFFAOYSA-N 1 1 311.338 1.372 20 5 DDBDMO Cc1c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cccc1[N+](=O)[O-] ZINC000369042764 301123957 /nfs/dbraw/zinc/12/39/57/301123957.db2.gz WSUPQJVPPUYABO-HNNXBMFYSA-N 1 1 305.334 1.978 20 5 DDBDMO Cc1c(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cccc1[N+](=O)[O-] ZINC000369042764 301123958 /nfs/dbraw/zinc/12/39/58/301123958.db2.gz WSUPQJVPPUYABO-HNNXBMFYSA-N 1 1 305.334 1.978 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000369144146 301136543 /nfs/dbraw/zinc/13/65/43/301136543.db2.gz OFQGBABHUQSSKC-MNOVXSKESA-N 1 1 321.381 1.627 20 5 DDBDMO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000370000861 301255530 /nfs/dbraw/zinc/25/55/30/301255530.db2.gz FLCWSIYVGUSJGJ-ZDUSSCGKSA-N 1 1 321.381 1.268 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000370083097 301272697 /nfs/dbraw/zinc/27/26/97/301272697.db2.gz PLMWZWPMACITSL-INIZCTEOSA-N 1 1 322.361 1.829 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742301 302361686 /nfs/dbraw/zinc/36/16/86/302361686.db2.gz WSYVZWMTDHNUPR-GHMZBOCLSA-N 1 1 307.350 1.144 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532140703 303276442 /nfs/dbraw/zinc/27/64/42/303276442.db2.gz RZPWBCMYSSKWNN-NEPJUHHUSA-N 1 1 306.366 1.840 20 5 DDBDMO CN1CCC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000538712081 303389835 /nfs/dbraw/zinc/38/98/35/303389835.db2.gz PLRAFLFAFQYICM-YPMHNXCESA-N 1 1 319.365 1.097 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000366325107 307070966 /nfs/dbraw/zinc/07/09/66/307070966.db2.gz JEPKZPDASJPCHW-MNOVXSKESA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]12 ZINC000366325107 307070967 /nfs/dbraw/zinc/07/09/67/307070967.db2.gz JEPKZPDASJPCHW-MNOVXSKESA-N 1 1 323.736 1.343 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034070 307114770 /nfs/dbraw/zinc/11/47/70/307114770.db2.gz CIDVDKFTDUXVSS-DZGCQCFKSA-N 1 1 321.333 1.203 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)O1 ZINC000369034070 307114771 /nfs/dbraw/zinc/11/47/71/307114771.db2.gz CIDVDKFTDUXVSS-DZGCQCFKSA-N 1 1 321.333 1.203 20 5 DDBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000371277313 307146432 /nfs/dbraw/zinc/14/64/32/307146432.db2.gz IOUNPRDBBAKCEV-LSDHHAIUSA-N 1 1 319.361 1.578 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000371277313 307146433 /nfs/dbraw/zinc/14/64/33/307146433.db2.gz IOUNPRDBBAKCEV-LSDHHAIUSA-N 1 1 319.361 1.578 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371555457 307153291 /nfs/dbraw/zinc/15/32/91/307153291.db2.gz UJOFSJKOXGIUOC-IUODEOHRSA-N 1 1 318.377 1.559 20 5 DDBDMO O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1 ZINC000371892913 307159558 /nfs/dbraw/zinc/15/95/58/307159558.db2.gz BOZOJJHHZZXAGI-STQMWFEESA-N 1 1 307.354 1.440 20 5 DDBDMO CCOCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373105551 307178850 /nfs/dbraw/zinc/17/88/50/307178850.db2.gz AMDVVFHJZAYRGF-OCCSQVGLSA-N 1 1 312.370 1.216 20 5 DDBDMO CCc1ccc(S(=O)(=O)NCC[N@H+](C)CC)cc1[N+](=O)[O-] ZINC000572956587 308228825 /nfs/dbraw/zinc/22/88/25/308228825.db2.gz ADKAYEQUJQJMTC-UHFFFAOYSA-N 1 1 315.395 1.387 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000573452007 308241229 /nfs/dbraw/zinc/24/12/29/308241229.db2.gz ZUPJPSZVPFHQSS-CQSZACIVSA-N 1 1 319.361 1.913 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@@H]1C1(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000573452007 308241230 /nfs/dbraw/zinc/24/12/30/308241230.db2.gz ZUPJPSZVPFHQSS-CQSZACIVSA-N 1 1 319.361 1.913 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000576400197 308311986 /nfs/dbraw/zinc/31/19/86/308311986.db2.gz AJPVBOKXPZISKV-GFCCVEGCSA-N 1 1 315.333 1.325 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)ccc1[N+](=O)[O-] ZINC000434749436 533822089 /nfs/dbraw/zinc/82/20/89/533822089.db2.gz RYOVJDIJSPTPEN-OAHLLOKOSA-N 1 1 305.334 1.315 20 5 DDBDMO CC[N@H+]1CCCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000158198821 521612128 /nfs/dbraw/zinc/61/21/28/521612128.db2.gz MMVMAXYINCXISL-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000413278659 534888443 /nfs/dbraw/zinc/88/84/43/534888443.db2.gz FLQSYRSKHYEFIQ-GFCCVEGCSA-N 1 1 324.356 1.678 20 5 DDBDMO CC(C)(C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000295687059 527231823 /nfs/dbraw/zinc/23/18/23/527231823.db2.gz SHXVCKGNDHYREL-GFCCVEGCSA-N 1 1 323.397 1.405 20 5 DDBDMO CC[N@H+]1CC[C@@H](NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000413826058 527775288 /nfs/dbraw/zinc/77/52/88/527775288.db2.gz AFENZBMADOVWCN-CQSZACIVSA-N 1 1 318.377 1.757 20 5 DDBDMO CC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000825466204 607821902 /nfs/dbraw/zinc/82/19/02/607821902.db2.gz XDKNXDXSXUGBLN-JTQLQIEISA-N 1 1 317.353 1.305 20 5 DDBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121314523 696708265 /nfs/dbraw/zinc/70/82/65/696708265.db2.gz MIDOUUZPNPIMKC-BETUJISGSA-N 1 1 321.377 1.776 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121314523 696708266 /nfs/dbraw/zinc/70/82/66/696708266.db2.gz MIDOUUZPNPIMKC-BETUJISGSA-N 1 1 321.377 1.776 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000111172184 696642321 /nfs/dbraw/zinc/64/23/21/696642321.db2.gz CBSMIFOYZZACDD-CQSZACIVSA-N 1 1 315.377 1.955 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000157008201 696971893 /nfs/dbraw/zinc/97/18/93/696971893.db2.gz LZXAEAXVYAJMNF-UHFFFAOYSA-N 1 1 305.338 1.360 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278232 698091590 /nfs/dbraw/zinc/09/15/90/698091590.db2.gz SMJWRJHCEFZQDU-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278232 698091596 /nfs/dbraw/zinc/09/15/96/698091596.db2.gz SMJWRJHCEFZQDU-CZUORRHYSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000776586255 698122113 /nfs/dbraw/zinc/12/21/13/698122113.db2.gz LVOIGBONQSZNGK-INIZCTEOSA-N 1 1 317.345 1.518 20 5 DDBDMO COCCO[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594002 698124282 /nfs/dbraw/zinc/12/42/82/698124282.db2.gz QQMCHLJJVMRAAH-HOTGVXAUSA-N 1 1 324.377 1.756 20 5 DDBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776594044 698124856 /nfs/dbraw/zinc/12/48/56/698124856.db2.gz RZAKMXGHKGMOAD-XJKSGUPXSA-N 1 1 321.377 1.428 20 5 DDBDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000777557295 698201772 /nfs/dbraw/zinc/20/17/72/698201772.db2.gz QEYGWVFUZGXWKG-HNNXBMFYSA-N 1 1 313.317 1.345 20 5 DDBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cn1nccc1[N+](=O)[O-])C2 ZINC000777557295 698201773 /nfs/dbraw/zinc/20/17/73/698201773.db2.gz QEYGWVFUZGXWKG-HNNXBMFYSA-N 1 1 313.317 1.345 20 5 DDBDMO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000778355889 698267907 /nfs/dbraw/zinc/26/79/07/698267907.db2.gz MICBHXBNMNHETL-LLVKDONJSA-N 1 1 313.785 1.747 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262073043 698453193 /nfs/dbraw/zinc/45/31/93/698453193.db2.gz CVDHYRHUPSMAMV-WMHVBEDNSA-N 1 1 316.405 1.588 20 5 DDBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782525611 698734063 /nfs/dbraw/zinc/73/40/63/698734063.db2.gz ZHZBTKDULMWVKI-GXSJLCMTSA-N 1 1 311.313 1.518 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588967 699642069 /nfs/dbraw/zinc/64/20/69/699642069.db2.gz GZRZZILHJDSDEE-APHBMKBZSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000791588967 699642072 /nfs/dbraw/zinc/64/20/72/699642072.db2.gz GZRZZILHJDSDEE-APHBMKBZSA-N 1 1 322.361 1.508 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000742197773 699866228 /nfs/dbraw/zinc/86/62/28/699866228.db2.gz ZWKCYUDSZIYRGO-SECBINFHSA-N 1 1 303.322 1.247 20 5 DDBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000742197773 699866231 /nfs/dbraw/zinc/86/62/31/699866231.db2.gz ZWKCYUDSZIYRGO-SECBINFHSA-N 1 1 303.322 1.247 20 5 DDBDMO COc1ccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000742242116 699869769 /nfs/dbraw/zinc/86/97/69/699869769.db2.gz YVJASPINEBNDMD-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000743637069 699921083 /nfs/dbraw/zinc/92/10/83/699921083.db2.gz KXAUUXFULZNAOE-WDEREUQCSA-N 1 1 306.366 1.698 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801861467 700347504 /nfs/dbraw/zinc/34/75/04/700347504.db2.gz HSZNDZQOIFEGCP-UHFFFAOYSA-N 1 1 307.285 1.251 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OCCC[NH+]1CCOCC1 ZINC000755679018 700577529 /nfs/dbraw/zinc/57/75/29/700577529.db2.gz WRKHAQFHVJSCCH-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO O=C1OCCN1CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167276 700659491 /nfs/dbraw/zinc/65/94/91/700659491.db2.gz FLRZVXBNUKSOQS-UHFFFAOYSA-N 1 1 305.334 1.795 20 5 DDBDMO O=C1OCCN1CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167276 700659492 /nfs/dbraw/zinc/65/94/92/700659492.db2.gz FLRZVXBNUKSOQS-UHFFFAOYSA-N 1 1 305.334 1.795 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000762721636 700904768 /nfs/dbraw/zinc/90/47/68/700904768.db2.gz BSRKWECKIKRBHI-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000768843147 701208868 /nfs/dbraw/zinc/20/88/68/701208868.db2.gz RIAPOFMRZYXWAD-BDAKNGLRSA-N 1 1 319.408 1.417 20 5 DDBDMO CC(=O)N1CCC([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000769425653 701244428 /nfs/dbraw/zinc/24/44/28/701244428.db2.gz JNRZDUMXEZCNGO-UHFFFAOYSA-N 1 1 303.362 1.964 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NCCN1CC[NH+](C)CC1 ZINC000807921673 701491193 /nfs/dbraw/zinc/49/11/93/701491193.db2.gz SGLHFVFOJOHKFA-UHFFFAOYSA-N 1 1 306.366 1.457 20 5 DDBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839695312 701788014 /nfs/dbraw/zinc/78/80/14/701788014.db2.gz DYCGMZKILHPMCF-UPJWGTAASA-N 1 1 311.769 1.724 20 5 DDBDMO C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014212 701912057 /nfs/dbraw/zinc/91/20/57/701912057.db2.gz IQELVJPGDKOIAB-ABAIWWIYSA-N 1 1 305.334 1.974 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014212 701912064 /nfs/dbraw/zinc/91/20/64/701912064.db2.gz IQELVJPGDKOIAB-ABAIWWIYSA-N 1 1 305.334 1.974 20 5 DDBDMO C[C@H]1CCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014221 701912448 /nfs/dbraw/zinc/91/24/48/701912448.db2.gz IQELVJPGDKOIAB-XHDPSFHLSA-N 1 1 305.334 1.974 20 5 DDBDMO C[C@H]1CCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840014221 701912450 /nfs/dbraw/zinc/91/24/50/701912450.db2.gz IQELVJPGDKOIAB-XHDPSFHLSA-N 1 1 305.334 1.974 20 5 DDBDMO COC(=O)[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840357417 702081925 /nfs/dbraw/zinc/08/19/25/702081925.db2.gz DSRUGQIBLKGFCK-JTQLQIEISA-N 1 1 311.313 1.275 20 5 DDBDMO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CO ZINC000817290055 702331937 /nfs/dbraw/zinc/33/19/37/702331937.db2.gz AXJYKBXQRRDMNR-GFCCVEGCSA-N 1 1 302.758 1.812 20 5 DDBDMO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CO ZINC000817290055 702331945 /nfs/dbraw/zinc/33/19/45/702331945.db2.gz AXJYKBXQRRDMNR-GFCCVEGCSA-N 1 1 302.758 1.812 20 5 DDBDMO CC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046558 702663142 /nfs/dbraw/zinc/66/31/42/702663142.db2.gz DCKUMLCRSMDHSE-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046558 702663145 /nfs/dbraw/zinc/66/31/45/702663145.db2.gz DCKUMLCRSMDHSE-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO Cc1cc(N2CCC[C@@H](OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000842304155 702700418 /nfs/dbraw/zinc/70/04/18/702700418.db2.gz VIOFRRQLALMYAT-JHJVBQTASA-N 1 1 320.349 1.271 20 5 DDBDMO C[NH2+]C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843349231 702864188 /nfs/dbraw/zinc/86/41/88/702864188.db2.gz NLQKJMDMLCBADG-NSHDSACASA-N 1 1 324.356 1.604 20 5 DDBDMO CN1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921250 703352090 /nfs/dbraw/zinc/35/20/90/703352090.db2.gz REWZLMBIIVVDEW-KBPBESRZSA-N 1 1 307.350 1.181 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCOCCO)C2CCC2)c1 ZINC000852291383 703998485 /nfs/dbraw/zinc/99/84/85/703998485.db2.gz WBLRVJPBMPZDJU-MRXNPFEDSA-N 1 1 324.377 1.492 20 5 DDBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852415073 704039130 /nfs/dbraw/zinc/03/91/30/704039130.db2.gz DASSEBBZYRUUNQ-NWDGAFQWSA-N 1 1 314.725 1.668 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000852500983 704064806 /nfs/dbraw/zinc/06/48/06/704064806.db2.gz HFWBVBZQQYVKLA-HOTGVXAUSA-N 1 1 306.362 1.865 20 5 DDBDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000870789997 704133025 /nfs/dbraw/zinc/13/30/25/704133025.db2.gz LXJYCTUEUGYULM-RYUDHWBXSA-N 1 1 310.354 1.597 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000820266223 704249590 /nfs/dbraw/zinc/24/95/90/704249590.db2.gz YDDKBVKDJWWHEY-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000822144226 704884395 /nfs/dbraw/zinc/88/43/95/704884395.db2.gz TVQLIXCCOZMLBK-UHFFFAOYSA-N 1 1 309.370 1.090 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859586996 704944725 /nfs/dbraw/zinc/94/47/25/704944725.db2.gz VYJNJWWJOWWCEC-INIZCTEOSA-N 1 1 316.361 1.775 20 5 DDBDMO CC(C)(CCC(=O)NCC[NH+]1Cc2ccccc2C1)[N+](=O)[O-] ZINC000822757726 705029867 /nfs/dbraw/zinc/02/98/67/705029867.db2.gz IGKQWMHJVJDECT-UHFFFAOYSA-N 1 1 305.378 1.954 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000874836565 705193691 /nfs/dbraw/zinc/19/36/91/705193691.db2.gz GJWXXFVAYULFIT-GJZGRUSLSA-N 1 1 303.362 1.832 20 5 DDBDMO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000824003221 705352930 /nfs/dbraw/zinc/35/29/30/705352930.db2.gz SYPNBSUMTQFFHB-OLZOCXBDSA-N 1 1 319.365 1.925 20 5 DDBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCC[NH+]1CCC1 ZINC000861390675 705455442 /nfs/dbraw/zinc/45/54/42/705455442.db2.gz ITCRDNKXSSNKTQ-UHFFFAOYSA-N 1 1 306.318 1.807 20 5 DDBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000827329461 705977112 /nfs/dbraw/zinc/97/71/12/705977112.db2.gz GPTJISULARIDQJ-STQMWFEESA-N 1 1 319.361 1.770 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC[C@H]21 ZINC000827338032 705979731 /nfs/dbraw/zinc/97/97/31/705979731.db2.gz NADCRRXYAWFPCD-BXKDBHETSA-N 1 1 322.340 1.482 20 5 DDBDMO CO[C@@H]1CC[C@@H](C)N(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000877197339 706014579 /nfs/dbraw/zinc/01/45/79/706014579.db2.gz IEARXBWZMSHOQZ-DJSGYFEHSA-N 1 1 321.377 1.795 20 5 DDBDMO C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000828145559 706127336 /nfs/dbraw/zinc/12/73/36/706127336.db2.gz MHRFTKIOLOPHNN-ZDUSSCGKSA-N 1 1 307.350 1.181 20 5 DDBDMO C[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000828145559 706127338 /nfs/dbraw/zinc/12/73/38/706127338.db2.gz MHRFTKIOLOPHNN-ZDUSSCGKSA-N 1 1 307.350 1.181 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c2nonc21 ZINC000828421130 706176125 /nfs/dbraw/zinc/17/61/25/706176125.db2.gz IXDFKAZKQDEQIT-JTQLQIEISA-N 1 1 321.337 1.390 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000881915339 707423051 /nfs/dbraw/zinc/42/30/51/707423051.db2.gz LMGZINVJFMMSBM-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829576548 706359695 /nfs/dbraw/zinc/35/96/95/706359695.db2.gz CHOCHPCWFVQGIU-JTQLQIEISA-N 1 1 322.390 1.707 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000829576548 706359696 /nfs/dbraw/zinc/35/96/96/706359696.db2.gz CHOCHPCWFVQGIU-JTQLQIEISA-N 1 1 322.390 1.707 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@@H]2C1 ZINC000865905873 706559260 /nfs/dbraw/zinc/55/92/60/706559260.db2.gz ZRCNBTSRWIPGHK-PWSUYJOCSA-N 1 1 309.341 1.614 20 5 DDBDMO CCON(C)C(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865909237 706560882 /nfs/dbraw/zinc/56/08/82/706560882.db2.gz YVEGXDZUPJGCAZ-UHFFFAOYSA-N 1 1 304.306 1.387 20 5 DDBDMO CON(C)C(=O)[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865974301 706581390 /nfs/dbraw/zinc/58/13/90/706581390.db2.gz KJICUQPPGMIFKP-VIFPVBQESA-N 1 1 304.306 1.385 20 5 DDBDMO C[C@]12C[NH2+]C[C@H]1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000872152069 707304943 /nfs/dbraw/zinc/30/49/43/707304943.db2.gz LHYMPYWZIULDAU-BLLLJJGKSA-N 1 1 318.377 1.465 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000872726657 707574045 /nfs/dbraw/zinc/57/40/45/707574045.db2.gz UEAOAUKBONLFGV-UKRRQHHQSA-N 1 1 315.377 1.928 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780115 707597040 /nfs/dbraw/zinc/59/70/40/707597040.db2.gz JPCLUSJEILYYIA-ZJUUUORDSA-N 1 1 303.322 1.804 20 5 DDBDMO O=[N+]([O-])c1cn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)nc1-c1ccccn1 ZINC000872785961 707601135 /nfs/dbraw/zinc/60/11/35/707601135.db2.gz MLRVOISSIOABBS-TXEJJXNPSA-N 1 1 315.333 1.389 20 5 DDBDMO O=[N+]([O-])c1cn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)nc1-c1ccccn1 ZINC000872785961 707601137 /nfs/dbraw/zinc/60/11/37/707601137.db2.gz MLRVOISSIOABBS-TXEJJXNPSA-N 1 1 315.333 1.389 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000882485670 707656288 /nfs/dbraw/zinc/65/62/88/707656288.db2.gz JVZNITCCGGHANI-GFCCVEGCSA-N 1 1 307.350 1.356 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000882959841 707873982 /nfs/dbraw/zinc/87/39/82/707873982.db2.gz RSHDPONSCPBRBF-LBPRGKRZSA-N 1 1 307.350 1.816 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000883893571 708077176 /nfs/dbraw/zinc/07/71/76/708077176.db2.gz NRNGQFXMOGTTDZ-ZDUSSCGKSA-N 1 1 306.366 1.830 20 5 DDBDMO Cc1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897221608 708259457 /nfs/dbraw/zinc/25/94/57/708259457.db2.gz NSDXAKLRZJVJLE-CHWSQXEVSA-N 1 1 306.366 1.334 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000884823607 708387530 /nfs/dbraw/zinc/38/75/30/708387530.db2.gz XVUKWZUFWMFBTN-UHFFFAOYSA-N 1 1 307.272 1.950 20 5 DDBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886204768 708714300 /nfs/dbraw/zinc/71/43/00/708714300.db2.gz PXFXQDOGCLSVPZ-ZDUSSCGKSA-N 1 1 306.366 1.871 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886340412 708745709 /nfs/dbraw/zinc/74/57/09/708745709.db2.gz GMHYNIZZCYVGGW-PHIMTYICSA-N 1 1 305.334 1.884 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568813 708778002 /nfs/dbraw/zinc/77/80/02/708778002.db2.gz WWTDEZXCZGGUPV-XQQFMLRXSA-N 1 1 324.402 1.629 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578226 708780267 /nfs/dbraw/zinc/78/02/67/708780267.db2.gz OSNAMWMAWKDLEC-OHTBPHCPSA-N 1 1 319.361 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578226 708780269 /nfs/dbraw/zinc/78/02/69/708780269.db2.gz OSNAMWMAWKDLEC-OHTBPHCPSA-N 1 1 319.361 1.625 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910284317 709865431 /nfs/dbraw/zinc/86/54/31/709865431.db2.gz NIMKYRAVKUSFPO-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910284317 709865435 /nfs/dbraw/zinc/86/54/35/709865435.db2.gz NIMKYRAVKUSFPO-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000910284317 709865441 /nfs/dbraw/zinc/86/54/41/709865441.db2.gz NIMKYRAVKUSFPO-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913385146 713206544 /nfs/dbraw/zinc/20/65/44/713206544.db2.gz RFZJHNOKWRKRPD-SECBINFHSA-N 1 1 315.732 1.955 20 5 DDBDMO C[NH+](C)C1(C)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000913394888 713208129 /nfs/dbraw/zinc/20/81/29/713208129.db2.gz QJGWNXZVKWHZLS-UHFFFAOYSA-N 1 1 307.350 1.857 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000893875808 710870101 /nfs/dbraw/zinc/87/01/01/710870101.db2.gz GACKTYCAQNEGBL-ZDUSSCGKSA-N 1 1 320.393 1.778 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2n1CCOC2 ZINC000894274194 711046986 /nfs/dbraw/zinc/04/69/86/711046986.db2.gz ZWYJIVYJXSFPNQ-UHFFFAOYSA-N 1 1 316.361 1.996 20 5 DDBDMO CN(CC[N@@H+](C)CCO)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000894590351 711197960 /nfs/dbraw/zinc/19/79/60/711197960.db2.gz DWDDPODZDOQLDK-UHFFFAOYSA-N 1 1 304.350 1.503 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000894940592 711329943 /nfs/dbraw/zinc/32/99/43/711329943.db2.gz UHQNOCLNVBUOGF-PWSUYJOCSA-N 1 1 310.350 1.902 20 5 DDBDMO COC(=O)Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738497 711591125 /nfs/dbraw/zinc/59/11/25/711591125.db2.gz WTPHQFJXUIMQHK-ZYHUDNBSSA-N 1 1 307.350 1.815 20 5 DDBDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896521708 711737560 /nfs/dbraw/zinc/73/75/60/711737560.db2.gz LDTTUFGCXZSMSC-CYBMUJFWSA-N 1 1 306.366 1.963 20 5 DDBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC12CC[NH+](CC1)C2 ZINC000913633530 713273128 /nfs/dbraw/zinc/27/31/28/713273128.db2.gz HUXMRBSNWFXWFR-UHFFFAOYSA-N 1 1 305.334 1.572 20 5 DDBDMO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1c1ccc(Cl)c(F)c1 ZINC000905189260 711963542 /nfs/dbraw/zinc/96/35/42/711963542.db2.gz HDEZEZYMPNNPDD-QMMMGPOBSA-N 1 1 301.705 1.451 20 5 DDBDMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CC[C@H](C4OCCO4)C3)c2c1 ZINC000905696117 712121886 /nfs/dbraw/zinc/12/18/86/712121886.db2.gz UKGSJNMPSQNUSK-LBPRGKRZSA-N 1 1 318.333 1.597 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C)c1[N+](=O)[O-] ZINC000905717936 712130495 /nfs/dbraw/zinc/13/04/95/712130495.db2.gz LSALOJJVNNYJDG-CYBMUJFWSA-N 1 1 318.381 1.979 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)c(C)c1[N+](=O)[O-] ZINC000905717936 712130497 /nfs/dbraw/zinc/13/04/97/712130497.db2.gz LSALOJJVNNYJDG-CYBMUJFWSA-N 1 1 318.381 1.979 20 5 DDBDMO O=C(NC1CC2(C1)CC([NH2+]CCC1CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963790214 717907580 /nfs/dbraw/zinc/90/75/80/717907580.db2.gz GROJBFIDYOEPQA-QAALLOGESA-N 1 1 307.394 1.469 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)OCc1ccccc1 ZINC000930284975 713793677 /nfs/dbraw/zinc/79/36/77/713793677.db2.gz KAGRYUWQPMAFOJ-HNNXBMFYSA-N 1 1 321.377 1.902 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)OCc1ccccc1 ZINC000930284975 713793679 /nfs/dbraw/zinc/79/36/79/713793679.db2.gz KAGRYUWQPMAFOJ-HNNXBMFYSA-N 1 1 321.377 1.902 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931319148 714065763 /nfs/dbraw/zinc/06/57/63/714065763.db2.gz XEGMCOKIHKETRR-GASCZTMLSA-N 1 1 307.398 1.373 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCn3cc[nH+]c32)c1 ZINC000931528223 714120385 /nfs/dbraw/zinc/12/03/85/714120385.db2.gz WPCCAEACGVSJAR-GFCCVEGCSA-N 1 1 304.306 1.051 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000931627342 714141883 /nfs/dbraw/zinc/14/18/83/714141883.db2.gz NVLMIROGUDLLCA-GJZGRUSLSA-N 1 1 321.377 1.393 20 5 DDBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923497706 714378620 /nfs/dbraw/zinc/37/86/20/714378620.db2.gz CMVOTGKBZAZCKN-STQMWFEESA-N 1 1 320.393 1.474 20 5 DDBDMO O=C1NCCC2(CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)O1 ZINC000932756710 714406517 /nfs/dbraw/zinc/40/65/17/714406517.db2.gz BZVLCJDXUISYGO-UHFFFAOYSA-N 1 1 306.322 1.454 20 5 DDBDMO C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ncnn21 ZINC000925383084 714837102 /nfs/dbraw/zinc/83/71/02/714837102.db2.gz QRJUMAXHKRFFHI-GXFFZTMASA-N 1 1 303.322 1.861 20 5 DDBDMO COc1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC001165040130 721907779 /nfs/dbraw/zinc/90/77/79/721907779.db2.gz ZDUUPILCJQISNV-GFCCVEGCSA-N 1 1 322.365 1.299 20 5 DDBDMO CCC[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC001120913542 782230759 /nfs/dbraw/zinc/23/07/59/782230759.db2.gz RMVCOPPSEZGDGI-LBPRGKRZSA-N 1 1 323.397 1.509 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001121198264 782404659 /nfs/dbraw/zinc/40/46/59/782404659.db2.gz GKCMRVLRHFYRKH-BFHYXJOUSA-N 1 1 303.362 1.594 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063393 734368665 /nfs/dbraw/zinc/36/86/65/734368665.db2.gz AJIBGEZTJYTBOP-LSCVPOLPSA-N 1 1 324.768 1.137 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNc1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001167751024 737702030 /nfs/dbraw/zinc/70/20/30/737702030.db2.gz DJMOUXAGUSFNSO-LBPRGKRZSA-N 1 1 308.382 1.970 20 5 DDBDMO Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002782156 743423787 /nfs/dbraw/zinc/42/37/87/743423787.db2.gz JMOQWDFKAWMESH-HUUCEWRRSA-N 1 1 318.377 1.136 20 5 DDBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CCC[N@@H+](C4COC4)C3)n21 ZINC001168373427 743629062 /nfs/dbraw/zinc/62/90/62/743629062.db2.gz ANPCPCUSJUHBKB-LLVKDONJSA-N 1 1 317.349 1.518 20 5 DDBDMO O=[N+]([O-])c1cnc2cccc(N[C@@H]3CCC[N@H+](C4COC4)C3)n21 ZINC001168373427 743629065 /nfs/dbraw/zinc/62/90/65/743629065.db2.gz ANPCPCUSJUHBKB-LLVKDONJSA-N 1 1 317.349 1.518 20 5 DDBDMO O=C1N[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001195809022 746712234 /nfs/dbraw/zinc/71/22/34/746712234.db2.gz FYYFZFWGCHCDLD-SMDDNHRTSA-N 1 1 321.333 1.404 20 5 DDBDMO CCn1cc2c(n1)C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@@H]2COC ZINC001169019275 762198847 /nfs/dbraw/zinc/19/88/47/762198847.db2.gz HCZSONFZAQHBIR-MGPQQGTHSA-N 1 1 322.409 1.894 20 5 DDBDMO CCn1cc2c(n1)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C[C@@H]2COC ZINC001169019275 762198852 /nfs/dbraw/zinc/19/88/52/762198852.db2.gz HCZSONFZAQHBIR-MGPQQGTHSA-N 1 1 322.409 1.894 20 5 DDBDMO O=C(NCC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399258 754280474 /nfs/dbraw/zinc/28/04/74/754280474.db2.gz LENKTLANRUXPKR-HUUCEWRRSA-N 1 1 309.410 1.670 20 5 DDBDMO COc1ccc(C[C@H](C)n2[nH]c(=O)nc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170305834 766231134 /nfs/dbraw/zinc/23/11/34/766231134.db2.gz QLNYXLUWMOQXIS-QMMMGPOBSA-N 1 1 307.310 1.163 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CCOC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335724 766257844 /nfs/dbraw/zinc/25/78/44/766257844.db2.gz QPIBKPMOHIEPAV-LRDDRELGSA-N 1 1 324.377 1.618 20 5 DDBDMO CC(C)[N@H+]1CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C[C@@H]1C ZINC001158495602 768462823 /nfs/dbraw/zinc/46/28/23/768462823.db2.gz ZNVHDCJYRWKCSF-JTQLQIEISA-N 1 1 314.773 1.801 20 5 DDBDMO CC[N@H+](C)CCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001146719303 772925620 /nfs/dbraw/zinc/92/56/20/772925620.db2.gz PHWVPVXVIZSMIV-UHFFFAOYSA-N 1 1 314.411 1.204 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001146719303 772925623 /nfs/dbraw/zinc/92/56/23/772925623.db2.gz PHWVPVXVIZSMIV-UHFFFAOYSA-N 1 1 314.411 1.204 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093642058 774939894 /nfs/dbraw/zinc/93/98/94/774939894.db2.gz IONNXFDXGGMDKW-UHFFFAOYSA-N 1 1 317.349 1.636 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1nc(C)ccc1[N+](=O)[O-] ZINC001093840269 775123468 /nfs/dbraw/zinc/12/34/68/775123468.db2.gz FCVALBYOXJMPDV-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO NC(=O)[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCO1 ZINC001172918310 776931099 /nfs/dbraw/zinc/93/10/99/776931099.db2.gz AQYYADJFOYGECL-HIFRSBDPSA-N 1 1 319.361 1.028 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001176760729 778246077 /nfs/dbraw/zinc/24/60/77/778246077.db2.gz FFXNBPBKSFXSSA-CALCHBBNSA-N 1 1 320.389 1.942 20 5 DDBDMO C[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC001116143339 780478060 /nfs/dbraw/zinc/47/80/60/780478060.db2.gz LQJAEEKDFMKHHU-GFCCVEGCSA-N 1 1 318.377 1.073 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC001116216838 780486142 /nfs/dbraw/zinc/48/61/42/780486142.db2.gz YQICYEQHCREOKL-UHFFFAOYSA-N 1 1 323.349 1.516 20 5 DDBDMO Cc1c[nH]nc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266273514 836025135 /nfs/dbraw/zinc/02/51/35/836025135.db2.gz VHHJLQNBHSODLF-UHFFFAOYSA-N 1 1 317.349 1.488 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266390591 836197361 /nfs/dbraw/zinc/19/73/61/836197361.db2.gz DCYLDXNLQOHAMG-ZIAGYGMSSA-N 1 1 309.341 1.429 20 5 DDBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266390591 836197365 /nfs/dbraw/zinc/19/73/65/836197365.db2.gz DCYLDXNLQOHAMG-ZIAGYGMSSA-N 1 1 309.341 1.429 20 5 DDBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266390591 836197367 /nfs/dbraw/zinc/19/73/67/836197367.db2.gz DCYLDXNLQOHAMG-ZIAGYGMSSA-N 1 1 309.341 1.429 20 5 DDBDMO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001272014198 844321305 /nfs/dbraw/zinc/32/13/05/844321305.db2.gz YAFHQBLQOMAMLV-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001272014198 844321313 /nfs/dbraw/zinc/32/13/13/844321313.db2.gz YAFHQBLQOMAMLV-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001272014198 844321325 /nfs/dbraw/zinc/32/13/25/844321325.db2.gz YAFHQBLQOMAMLV-HZPDHXFCSA-N 1 1 319.405 1.859 20 5 DDBDMO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001326821983 861631968 /nfs/dbraw/zinc/63/19/68/861631968.db2.gz JXRGUBLKGXLKKC-HUUCEWRRSA-N 1 1 317.389 1.789 20 5 DDBDMO COC(=O)N(C)CC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001327678878 862379879 /nfs/dbraw/zinc/37/98/79/862379879.db2.gz MUEIITYLGMBWRZ-UHFFFAOYSA-N 1 1 321.337 1.532 20 5 DDBDMO COC(=O)N(C)CC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001327678878 862379898 /nfs/dbraw/zinc/37/98/98/862379898.db2.gz MUEIITYLGMBWRZ-UHFFFAOYSA-N 1 1 321.337 1.532 20 5 DDBDMO COC(=O)c1ccnc(NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC001156007157 862628995 /nfs/dbraw/zinc/62/89/95/862628995.db2.gz KSYHYHUVVDXQAE-UHFFFAOYSA-N 1 1 305.294 1.393 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](OCCOc3ccc([N+](=O)[O-])cc3)[C@H]1CC(=O)C2 ZINC001224777297 881528944 /nfs/dbraw/zinc/52/89/44/881528944.db2.gz RGBKRGZQSWYYDY-MAZHCROVSA-N 1 1 320.345 1.794 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001157002496 863511715 /nfs/dbraw/zinc/51/17/15/863511715.db2.gz ZMWPYRXBUPYQRY-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO CCc1ccccc1CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767856 864117819 /nfs/dbraw/zinc/11/78/19/864117819.db2.gz YCPFGHAQSTVFLI-HZPDHXFCSA-N 1 1 319.405 1.553 20 5 DDBDMO CN1CCN(C(=[NH2+])Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157914828 864252644 /nfs/dbraw/zinc/25/26/44/864252644.db2.gz LYSHFGXMSMROHK-UHFFFAOYSA-N 1 1 315.337 1.132 20 5 DDBDMO [NH3+]Cc1ncn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1 ZINC001157928978 864274100 /nfs/dbraw/zinc/27/41/00/864274100.db2.gz VUSPDDIIXGXYCS-UHFFFAOYSA-N 1 1 304.644 1.291 20 5 DDBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC001320080719 866457832 /nfs/dbraw/zinc/45/78/32/866457832.db2.gz LLIAVZGHETUNQD-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC001320080719 866457835 /nfs/dbraw/zinc/45/78/35/866457835.db2.gz LLIAVZGHETUNQD-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(C)CC1 ZINC001161700661 866907306 /nfs/dbraw/zinc/90/73/06/866907306.db2.gz OSABFDMNAMKZCG-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1c([N+](=O)[O-])cnn1C ZINC001334965477 867953516 /nfs/dbraw/zinc/95/35/16/867953516.db2.gz OQDRENXBXMDPHH-UHFFFAOYSA-N 1 1 311.386 1.123 20 5 DDBDMO NC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226169397 882244597 /nfs/dbraw/zinc/24/45/97/882244597.db2.gz CUXLKFKWPUDMHZ-SNVBAGLBSA-N 1 1 302.290 1.284 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001338083765 869791000 /nfs/dbraw/zinc/79/10/00/869791000.db2.gz JKWFCLSDLNHXRD-ZYHUDNBSSA-N 1 1 309.370 1.045 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc4nonc4c3[N+](=O)[O-])[C@H]2C1 ZINC001338298786 869909624 /nfs/dbraw/zinc/90/96/24/869909624.db2.gz WFESJUUPYXEGOR-LPEHRKFASA-N 1 1 303.322 1.883 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226362590 882387222 /nfs/dbraw/zinc/38/72/22/882387222.db2.gz XEMWQGCIJCGKMU-JTQLQIEISA-N 1 1 310.306 1.473 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC)C1 ZINC001339468486 870511847 /nfs/dbraw/zinc/51/18/47/870511847.db2.gz VPCCTRLFFYPMPB-STQMWFEESA-N 1 1 324.429 1.804 20 5 DDBDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303575455 871137910 /nfs/dbraw/zinc/13/79/10/871137910.db2.gz XBTZSNCLORCKBI-UHFFFAOYSA-N 1 1 303.322 1.431 20 5 DDBDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303575455 871137917 /nfs/dbraw/zinc/13/79/17/871137917.db2.gz XBTZSNCLORCKBI-UHFFFAOYSA-N 1 1 303.322 1.431 20 5 DDBDMO C[N@H+](CCc1ccc2c(c1)OCO2)Cn1cc([N+](=O)[O-])cn1 ZINC001345054539 873239602 /nfs/dbraw/zinc/23/96/02/873239602.db2.gz PMFJTXAVZQBJBN-UHFFFAOYSA-N 1 1 304.306 1.652 20 5 DDBDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cn1cc([N+](=O)[O-])cn1 ZINC001345054539 873239609 /nfs/dbraw/zinc/23/96/09/873239609.db2.gz PMFJTXAVZQBJBN-UHFFFAOYSA-N 1 1 304.306 1.652 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001347267431 874078699 /nfs/dbraw/zinc/07/86/99/874078699.db2.gz BCIJFOHTMSXORT-CYBMUJFWSA-N 1 1 306.366 1.334 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H]1C[N@@H+](C)CCN1C ZINC001348311190 874475850 /nfs/dbraw/zinc/47/58/50/874475850.db2.gz GOTGLUQOPDFAET-SKDRFNHKSA-N 1 1 311.361 1.362 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@@H+]2C ZINC001227185375 882899259 /nfs/dbraw/zinc/89/92/59/882899259.db2.gz QFCZEDBYTUAWBQ-ZKYQVNSYSA-N 1 1 306.318 1.786 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1O[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001227185375 882899279 /nfs/dbraw/zinc/89/92/79/882899279.db2.gz QFCZEDBYTUAWBQ-ZKYQVNSYSA-N 1 1 306.318 1.786 20 5 DDBDMO CCOCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277397712 884039454 /nfs/dbraw/zinc/03/94/54/884039454.db2.gz UBLKHLYSRCJJGO-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CCOCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277397712 884039469 /nfs/dbraw/zinc/03/94/69/884039469.db2.gz UBLKHLYSRCJJGO-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO CCOCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277397712 884039481 /nfs/dbraw/zinc/03/94/81/884039481.db2.gz UBLKHLYSRCJJGO-ZIAGYGMSSA-N 1 1 313.398 1.001 20 5 DDBDMO O=[N+]([O-])c1c[nH]cc2nc(O[C@H]3CCc4[nH+]ccn4C3)nc1-2 ZINC001230231518 884383512 /nfs/dbraw/zinc/38/35/12/884383512.db2.gz MAXTXGGUPNGZBI-QMMMGPOBSA-N 1 1 300.278 1.456 20 5 DDBDMO COc1ccc(C[C@H](C)[NH2+][C@H]2CNCCC2=O)c([N+](=O)[O-])c1 ZINC001246294588 892519775 /nfs/dbraw/zinc/51/97/75/892519775.db2.gz RIJBOVZNQNFTEJ-GWCFXTLKSA-N 1 1 307.350 1.055 20 5 DDBDMO COc1ccc(C[C@H](C)N[C@H]2C[NH2+]CCC2=O)c([N+](=O)[O-])c1 ZINC001246294588 892519789 /nfs/dbraw/zinc/51/97/89/892519789.db2.gz RIJBOVZNQNFTEJ-GWCFXTLKSA-N 1 1 307.350 1.055 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@](O)(C[NH3+])C1 ZINC001246559073 892698988 /nfs/dbraw/zinc/69/89/88/892698988.db2.gz NFEMFNYYOHHEDD-CJNGLKHVSA-N 1 1 307.394 1.702 20 5 DDBDMO [NH3+]C[C@@]1(O)CCCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564300 892700756 /nfs/dbraw/zinc/70/07/56/892700756.db2.gz XHKYEOACEBKMRH-CVEARBPZSA-N 1 1 305.378 1.238 20 5 DDBDMO O=C1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC001254476102 896455732 /nfs/dbraw/zinc/45/57/32/896455732.db2.gz MBFKXALCJVTPEU-UHFFFAOYSA-N 1 1 318.377 1.386 20 5 DDBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(C2COC2)CC1 ZINC001254550940 896499101 /nfs/dbraw/zinc/49/91/01/896499101.db2.gz TUGQMJZMFOMTQD-ZDUSSCGKSA-N 1 1 305.378 1.542 20 5 DDBDMO CC(C)(C)[N@@H+](C[C@@H](O)CO)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254592989 896520603 /nfs/dbraw/zinc/52/06/03/896520603.db2.gz IPXCIVTVGCXDFP-LSDHHAIUSA-N 1 1 308.378 1.516 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612451 896533300 /nfs/dbraw/zinc/53/33/00/896533300.db2.gz WGZXYXXBOCDWBK-ZFWWWQNUSA-N 1 1 318.377 1.455 20 5 DDBDMO Cc1nn(C)c(N2CCC(c3c[nH+]cn3C)CC2)c1[N+](=O)[O-] ZINC001262727373 900339986 /nfs/dbraw/zinc/33/99/86/900339986.db2.gz LCBKXNVYSMIGDM-UHFFFAOYSA-N 1 1 304.354 1.754 20 5 DDBDMO O=C(NCC1([NH2+]CC2CC3(CCC3)C2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001280480107 903723501 /nfs/dbraw/zinc/72/35/01/903723501.db2.gz BFAPHYBZQHKHPC-ZIAGYGMSSA-N 1 1 321.421 1.860 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000305762766 231044080 /nfs/dbraw/zinc/04/40/80/231044080.db2.gz NDMHONBHJREZFC-SMDDNHRTSA-N 1 1 307.350 1.626 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323658 529466404 /nfs/dbraw/zinc/46/64/04/529466404.db2.gz LEVBSTVXRRJKCY-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323658 529466406 /nfs/dbraw/zinc/46/64/06/529466406.db2.gz LEVBSTVXRRJKCY-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323658 529466410 /nfs/dbraw/zinc/46/64/10/529466410.db2.gz LEVBSTVXRRJKCY-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO CCc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000444323658 529466412 /nfs/dbraw/zinc/46/64/12/529466412.db2.gz LEVBSTVXRRJKCY-VHSXEESVSA-N 1 1 309.370 1.435 20 5 DDBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000088059423 185238276 /nfs/dbraw/zinc/23/82/76/185238276.db2.gz CYLNAJOBHQNWID-MRVPVSSYSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CCCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096948722 185393598 /nfs/dbraw/zinc/39/35/98/185393598.db2.gz GQYVLZHLQOAHIV-UHFFFAOYSA-N 1 1 320.393 1.951 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000615037696 362123177 /nfs/dbraw/zinc/12/31/77/362123177.db2.gz IYVPUEPMPMCFLQ-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000615037696 362123181 /nfs/dbraw/zinc/12/31/81/362123181.db2.gz IYVPUEPMPMCFLQ-FZMZJTMJSA-N 1 1 322.365 1.744 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451631425 529797856 /nfs/dbraw/zinc/79/78/56/529797856.db2.gz NORJZCRQSGPGAW-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451631425 529797857 /nfs/dbraw/zinc/79/78/57/529797857.db2.gz NORJZCRQSGPGAW-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO CN1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451631425 529797859 /nfs/dbraw/zinc/79/78/59/529797859.db2.gz NORJZCRQSGPGAW-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000330783994 232065940 /nfs/dbraw/zinc/06/59/40/232065940.db2.gz RGGXFNOXTSORRT-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000330783994 232065942 /nfs/dbraw/zinc/06/59/42/232065942.db2.gz RGGXFNOXTSORRT-NEPJUHHUSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748438 215111629 /nfs/dbraw/zinc/11/16/29/215111629.db2.gz LEEKUTLAUHXQLY-SMDDNHRTSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000279748438 215111632 /nfs/dbraw/zinc/11/16/32/215111632.db2.gz LEEKUTLAUHXQLY-SMDDNHRTSA-N 1 1 321.377 1.933 20 5 DDBDMO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000279884191 215205561 /nfs/dbraw/zinc/20/55/61/215205561.db2.gz UMNYLOAPPWUQNT-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000279884191 215205564 /nfs/dbraw/zinc/20/55/64/215205564.db2.gz UMNYLOAPPWUQNT-GFCCVEGCSA-N 1 1 318.333 1.848 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@H+](CCO)CC1 ZINC000171506799 186170334 /nfs/dbraw/zinc/17/03/34/186170334.db2.gz XNOHXTPDDCUBRT-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO COc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000172298920 198073534 /nfs/dbraw/zinc/07/35/34/198073534.db2.gz BMWZTRKQQDOURR-ZDUSSCGKSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc(C[N@H+]2CCC[C@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000172298920 198073536 /nfs/dbraw/zinc/07/35/36/198073536.db2.gz BMWZTRKQQDOURR-ZDUSSCGKSA-N 1 1 310.350 1.577 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000331725253 234049192 /nfs/dbraw/zinc/04/91/92/234049192.db2.gz MPZRHBFUMSRBSC-GHMZBOCLSA-N 1 1 307.354 1.168 20 5 DDBDMO C[N@@H+](CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000058858038 352854689 /nfs/dbraw/zinc/85/46/89/352854689.db2.gz RQYIVULGSFWPMY-UHFFFAOYSA-N 1 1 320.393 1.997 20 5 DDBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000069129502 353147708 /nfs/dbraw/zinc/14/77/08/353147708.db2.gz BJPWJCGPAOEENQ-SNVBAGLBSA-N 1 1 313.379 1.356 20 5 DDBDMO C[N@@H+](CCc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075966662 353388855 /nfs/dbraw/zinc/38/88/55/353388855.db2.gz LMBVKDVVQYGIIC-LBPRGKRZSA-N 1 1 310.379 1.388 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)C1CC1 ZINC000079769977 353576259 /nfs/dbraw/zinc/57/62/59/353576259.db2.gz XACXQMJBAUGLGW-CQSZACIVSA-N 1 1 308.334 1.664 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000079914610 353581801 /nfs/dbraw/zinc/58/18/01/353581801.db2.gz OXQIHQHUSVPXJH-LLVKDONJSA-N 1 1 306.366 1.838 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930604 353783464 /nfs/dbraw/zinc/78/34/64/353783464.db2.gz XHYRNOWWRRLCJY-PWSUYJOCSA-N 1 1 307.350 1.287 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089932302 353784665 /nfs/dbraw/zinc/78/46/65/353784665.db2.gz PFCXZYMTTOADHT-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089932302 353784670 /nfs/dbraw/zinc/78/46/70/353784670.db2.gz PFCXZYMTTOADHT-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092612743 353863420 /nfs/dbraw/zinc/86/34/20/353863420.db2.gz LHWMIYAVXDYZCA-CYBMUJFWSA-N 1 1 321.425 1.984 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093344930 353897655 /nfs/dbraw/zinc/89/76/55/353897655.db2.gz MLEXKCSERCMKIA-ITDIGPHOSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000093344930 353897656 /nfs/dbraw/zinc/89/76/56/353897656.db2.gz MLEXKCSERCMKIA-ITDIGPHOSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305356029 354469996 /nfs/dbraw/zinc/46/99/96/354469996.db2.gz XQCPFLCLCZDWQV-CQSZACIVSA-N 1 1 304.350 1.593 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305730644 354471284 /nfs/dbraw/zinc/47/12/84/354471284.db2.gz KIYQMCRENGQLKC-IINYFYTJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000588002842 354891712 /nfs/dbraw/zinc/89/17/12/354891712.db2.gz VKCVGKITFHZQIL-WCBMZHEXSA-N 1 1 323.378 1.731 20 5 DDBDMO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000588002842 354891714 /nfs/dbraw/zinc/89/17/14/354891714.db2.gz VKCVGKITFHZQIL-WCBMZHEXSA-N 1 1 323.378 1.731 20 5 DDBDMO CN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000588073536 354899060 /nfs/dbraw/zinc/89/90/60/354899060.db2.gz IEBSXAWTLQCJKR-ONXXMXGDSA-N 1 1 320.393 1.731 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000588838643 354941107 /nfs/dbraw/zinc/94/11/07/354941107.db2.gz XHSOQWCGNKXCOZ-NWDGAFQWSA-N 1 1 309.370 1.029 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000590403326 355085694 /nfs/dbraw/zinc/08/56/94/355085694.db2.gz KSBNHEGZLQRNQW-MWLCHTKSSA-N 1 1 309.370 1.435 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000590442836 355096825 /nfs/dbraw/zinc/09/68/25/355096825.db2.gz HLYSCOOTNPVXSX-FZMZJTMJSA-N 1 1 304.350 1.169 20 5 DDBDMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000590776498 355176327 /nfs/dbraw/zinc/17/63/27/355176327.db2.gz OWMSTCBPFPZDDC-CORIIIEPSA-N 1 1 303.362 1.861 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971659 355227446 /nfs/dbraw/zinc/22/74/46/355227446.db2.gz DHGZITCHKUVJBV-IPYPFGDCSA-N 1 1 322.361 1.445 20 5 DDBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000591011448 355231464 /nfs/dbraw/zinc/23/14/64/355231464.db2.gz UYQRKNWOBLISKE-GFCCVEGCSA-N 1 1 320.349 1.052 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591136851 355253180 /nfs/dbraw/zinc/25/31/80/355253180.db2.gz MCVCAIJETWOSNT-GFCCVEGCSA-N 1 1 312.345 1.898 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591893463 355414944 /nfs/dbraw/zinc/41/49/44/355414944.db2.gz YKEJWFKTCDVTSV-QWRGUYRKSA-N 1 1 307.354 1.231 20 5 DDBDMO O=c1c(F)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)(F)F ZINC000592357039 355565723 /nfs/dbraw/zinc/56/57/23/355565723.db2.gz PNOJPJBSTVBIED-UHFFFAOYSA-N 1 1 320.202 1.703 20 5 DDBDMO CCCN(C(=O)CCn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@@H+](C)C1 ZINC000592831452 355706609 /nfs/dbraw/zinc/70/66/09/355706609.db2.gz MMQODIRDNHIOOR-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO CCCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592832130 355707163 /nfs/dbraw/zinc/70/71/63/355707163.db2.gz QUGPRRLZWWNPNH-AWEZNQCLSA-N 1 1 321.377 1.916 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594417364 356203062 /nfs/dbraw/zinc/20/30/62/356203062.db2.gz BZDBOQOBFZCBPD-MNOVXSKESA-N 1 1 307.354 1.075 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000594569033 356251996 /nfs/dbraw/zinc/25/19/96/356251996.db2.gz XTUIJDHYFLKTKS-HNNXBMFYSA-N 1 1 304.350 1.771 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595455198 356499666 /nfs/dbraw/zinc/49/96/66/356499666.db2.gz SZGRDZWJLBSSLX-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO CO[C@]1(CO)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595663732 356599657 /nfs/dbraw/zinc/59/96/57/356599657.db2.gz SXGHESMEZKADFJ-OAHLLOKOSA-N 1 1 321.333 1.709 20 5 DDBDMO CO[C@]1(CO)CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595663732 356599661 /nfs/dbraw/zinc/59/96/61/356599661.db2.gz SXGHESMEZKADFJ-OAHLLOKOSA-N 1 1 321.333 1.709 20 5 DDBDMO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595742402 356631124 /nfs/dbraw/zinc/63/11/24/356631124.db2.gz FYZPQKPVSCLEMH-GHMZBOCLSA-N 1 1 307.350 1.482 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595737066 356629512 /nfs/dbraw/zinc/62/95/12/356629512.db2.gz GOECIWRFBOWWRU-OLZOCXBDSA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000595758425 356639403 /nfs/dbraw/zinc/63/94/03/356639403.db2.gz MYBJAFYYLDLOPZ-IOASZLSFSA-N 1 1 322.361 1.303 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595761060 356642323 /nfs/dbraw/zinc/64/23/23/356642323.db2.gz WLSUIAYUPQMIJC-HSMVNMDESA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595761060 356642328 /nfs/dbraw/zinc/64/23/28/356642328.db2.gz WLSUIAYUPQMIJC-HSMVNMDESA-N 1 1 319.361 1.890 20 5 DDBDMO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595808556 356659938 /nfs/dbraw/zinc/65/99/38/356659938.db2.gz DAXFMQWRJDWYMS-CHWSQXEVSA-N 1 1 301.346 1.826 20 5 DDBDMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595808556 356659939 /nfs/dbraw/zinc/65/99/39/356659939.db2.gz DAXFMQWRJDWYMS-CHWSQXEVSA-N 1 1 301.346 1.826 20 5 DDBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595848124 356675784 /nfs/dbraw/zinc/67/57/84/356675784.db2.gz NCCOJBZDPRJTEV-TXEJJXNPSA-N 1 1 308.334 1.987 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000595873635 356687135 /nfs/dbraw/zinc/68/71/35/356687135.db2.gz OQHIGXRHVAAWSV-UHFFFAOYSA-N 1 1 310.398 1.467 20 5 DDBDMO CCCN(C)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000595873635 356687139 /nfs/dbraw/zinc/68/71/39/356687139.db2.gz OQHIGXRHVAAWSV-UHFFFAOYSA-N 1 1 310.398 1.467 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091136 356768699 /nfs/dbraw/zinc/76/86/99/356768699.db2.gz WBAQOBARJUHHLH-SNVBAGLBSA-N 1 1 304.350 1.603 20 5 DDBDMO CCOc1cc(CN2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000276908619 213168424 /nfs/dbraw/zinc/16/84/24/213168424.db2.gz MWLVPGVXAFKGAG-UHFFFAOYSA-N 1 1 309.366 1.103 20 5 DDBDMO COc1cccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596540545 356911091 /nfs/dbraw/zinc/91/10/91/356911091.db2.gz UISGTZUNGIDHKQ-ZDUSSCGKSA-N 1 1 321.377 1.639 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597202566 357090925 /nfs/dbraw/zinc/09/09/25/357090925.db2.gz FIMXWALZITXXGG-MRXNPFEDSA-N 1 1 305.378 1.810 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854857 357358858 /nfs/dbraw/zinc/35/88/58/357358858.db2.gz NQTVKNAOBPXMIY-JTQLQIEISA-N 1 1 309.370 1.477 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598041302 357439035 /nfs/dbraw/zinc/43/90/35/357439035.db2.gz KXPMKQFSDROYJG-GFCCVEGCSA-N 1 1 306.366 1.855 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000597920421 357381832 /nfs/dbraw/zinc/38/18/32/357381832.db2.gz BTGHCHBQOPIFOY-JTQLQIEISA-N 1 1 309.370 1.414 20 5 DDBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598465391 357593249 /nfs/dbraw/zinc/59/32/49/357593249.db2.gz MPXIAMVGYRBDCI-UHFFFAOYSA-N 1 1 310.354 1.546 20 5 DDBDMO COC(=O)c1ccnc(N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000598631032 357662545 /nfs/dbraw/zinc/66/25/45/357662545.db2.gz NYCNXFPSMPWJKQ-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO C[C@@H](CN1CCOCC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104660 358403386 /nfs/dbraw/zinc/40/33/86/358403386.db2.gz CFYVGHGTOUPMTM-LBPRGKRZSA-N 1 1 316.361 1.698 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](CO)[C@@H](O)C3)c2c1 ZINC000601153056 358424210 /nfs/dbraw/zinc/42/42/10/358424210.db2.gz UXTHWLQQXGPNJB-BONVTDFDSA-N 1 1 303.318 1.323 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCCN2c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601159249 358427159 /nfs/dbraw/zinc/42/71/59/358427159.db2.gz FKIKTQUVBNFURW-IAQYHMDHSA-N 1 1 312.329 1.858 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601186544 358439171 /nfs/dbraw/zinc/43/91/71/358439171.db2.gz PAVDWZHNPDCCFE-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO COC(=O)c1ccnc(N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601186544 358439173 /nfs/dbraw/zinc/43/91/73/358439173.db2.gz PAVDWZHNPDCCFE-UHFFFAOYSA-N 1 1 308.338 1.307 20 5 DDBDMO COC(=O)[C@]12C[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000602708815 359138921 /nfs/dbraw/zinc/13/89/21/359138921.db2.gz XZSVHANLQLQJMB-IUODEOHRSA-N 1 1 322.365 1.494 20 5 DDBDMO CC(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602716949 359144979 /nfs/dbraw/zinc/14/49/79/359144979.db2.gz VZYGJYPHRFUOEA-CQSZACIVSA-N 1 1 307.394 1.827 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3nc[nH]n3)CC2)cc1 ZINC000602871283 359254492 /nfs/dbraw/zinc/25/44/92/359254492.db2.gz PTPMXQDBCYEGSG-UHFFFAOYSA-N 1 1 302.338 1.078 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000602819418 359214726 /nfs/dbraw/zinc/21/47/26/359214726.db2.gz BGPUSIKALOJBCS-YWPYICTPSA-N 1 1 324.381 1.368 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000618473105 363643650 /nfs/dbraw/zinc/64/36/50/363643650.db2.gz SSYSETLHWVGWFR-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000618473105 363643655 /nfs/dbraw/zinc/64/36/55/363643655.db2.gz SSYSETLHWVGWFR-UHFFFAOYSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@@](CO)([NH2+]CC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962314 359324945 /nfs/dbraw/zinc/32/49/45/359324945.db2.gz IPSHTHBIJLLBDT-HNNXBMFYSA-N 1 1 307.350 1.014 20 5 DDBDMO Cn1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430805 359634975 /nfs/dbraw/zinc/63/49/75/359634975.db2.gz VAIXNJCVJXTNOS-MGPQQGTHSA-N 1 1 323.397 1.189 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000187163611 200069896 /nfs/dbraw/zinc/06/98/96/200069896.db2.gz YIGVFIPCWFGAFI-LBPRGKRZSA-N 1 1 324.381 1.269 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000604199711 359725726 /nfs/dbraw/zinc/72/57/26/359725726.db2.gz TYNKBAOIXOTXIY-LLVKDONJSA-N 1 1 309.391 1.897 20 5 DDBDMO COC1(CO)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000618550794 363667572 /nfs/dbraw/zinc/66/75/72/363667572.db2.gz DUYNXWXIRCECGO-UHFFFAOYSA-N 1 1 321.333 1.709 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000188493599 200256545 /nfs/dbraw/zinc/25/65/45/200256545.db2.gz KCJGORKJHQTAOR-UHFFFAOYSA-N 1 1 300.746 1.777 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@H+]2CCCOCC2)c(Cl)c1 ZINC000188493599 200256547 /nfs/dbraw/zinc/25/65/47/200256547.db2.gz KCJGORKJHQTAOR-UHFFFAOYSA-N 1 1 300.746 1.777 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189423523 200398673 /nfs/dbraw/zinc/39/86/73/200398673.db2.gz OZUBANSDEIZDOQ-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189423523 200398675 /nfs/dbraw/zinc/39/86/75/200398675.db2.gz OZUBANSDEIZDOQ-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384323 360302993 /nfs/dbraw/zinc/30/29/93/360302993.db2.gz JDQLWRKFZMTUDE-CYBMUJFWSA-N 1 1 318.377 1.851 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399724 360304020 /nfs/dbraw/zinc/30/40/20/360304020.db2.gz LPUNLAYTAOWHFE-CQSZACIVSA-N 1 1 318.377 1.878 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000609648795 360340940 /nfs/dbraw/zinc/34/09/40/360340940.db2.gz FOFMLOUBILSMGN-UHFFFAOYSA-N 1 1 322.365 1.515 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609450144 360308237 /nfs/dbraw/zinc/30/82/37/360308237.db2.gz CFZMONVWBKBZTI-NSHDSACASA-N 1 1 307.350 1.308 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609450144 360308243 /nfs/dbraw/zinc/30/82/43/360308243.db2.gz CFZMONVWBKBZTI-NSHDSACASA-N 1 1 307.350 1.308 20 5 DDBDMO Cc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000610367739 360422832 /nfs/dbraw/zinc/42/28/32/360422832.db2.gz OAWBGNSKJDUQKC-AWEZNQCLSA-N 1 1 320.349 1.718 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610504992 360455846 /nfs/dbraw/zinc/45/58/46/360455846.db2.gz PSJITOCUXNSNOU-LSDHHAIUSA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610504992 360455849 /nfs/dbraw/zinc/45/58/49/360455849.db2.gz PSJITOCUXNSNOU-LSDHHAIUSA-N 1 1 320.324 1.738 20 5 DDBDMO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891568 360565604 /nfs/dbraw/zinc/56/56/04/360565604.db2.gz WEUWXUQQASLKHB-LBPRGKRZSA-N 1 1 305.334 1.515 20 5 DDBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891568 360565609 /nfs/dbraw/zinc/56/56/09/360565609.db2.gz WEUWXUQQASLKHB-LBPRGKRZSA-N 1 1 305.334 1.515 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088436 360619312 /nfs/dbraw/zinc/61/93/12/360619312.db2.gz VVXNBZGWZPTJOP-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088436 360619318 /nfs/dbraw/zinc/61/93/18/360619318.db2.gz VVXNBZGWZPTJOP-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO CCC[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000611228213 360667721 /nfs/dbraw/zinc/66/77/21/360667721.db2.gz UEUPOFMUMZFUAU-CYBMUJFWSA-N 1 1 308.382 1.927 20 5 DDBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000281396112 216270185 /nfs/dbraw/zinc/27/01/85/216270185.db2.gz NENUUOAIPBNOGN-CQSZACIVSA-N 1 1 304.354 1.752 20 5 DDBDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000281396112 216270189 /nfs/dbraw/zinc/27/01/89/216270189.db2.gz NENUUOAIPBNOGN-CQSZACIVSA-N 1 1 304.354 1.752 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619441026 364010133 /nfs/dbraw/zinc/01/01/33/364010133.db2.gz CGJCTGFQRHMGBX-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619441026 364010138 /nfs/dbraw/zinc/01/01/38/364010138.db2.gz CGJCTGFQRHMGBX-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CN(C(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000275487484 212367048 /nfs/dbraw/zinc/36/70/48/212367048.db2.gz PFAXJPDBKVLGFW-CQSZACIVSA-N 1 1 321.377 1.650 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@@H](O)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000275487484 212367049 /nfs/dbraw/zinc/36/70/49/212367049.db2.gz PFAXJPDBKVLGFW-CQSZACIVSA-N 1 1 321.377 1.650 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349804261 284059935 /nfs/dbraw/zinc/05/99/35/284059935.db2.gz UVIRLTGVXZBWCR-NSHDSACASA-N 1 1 315.395 1.602 20 5 DDBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000264571338 204003202 /nfs/dbraw/zinc/00/32/02/204003202.db2.gz HPIXLCPJWZKXID-CYBMUJFWSA-N 1 1 310.329 1.486 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](CCOC)C2)c([N+](=O)[O-])c1 ZINC000264585584 204012707 /nfs/dbraw/zinc/01/27/07/204012707.db2.gz KKXILBXPLZEJBS-GFCCVEGCSA-N 1 1 322.365 1.087 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000264664657 204061973 /nfs/dbraw/zinc/06/19/73/204061973.db2.gz JHHVSGGKUHSIKT-JTQLQIEISA-N 1 1 311.386 1.731 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271720220 209154457 /nfs/dbraw/zinc/15/44/57/209154457.db2.gz KUGFSCXXOAFTID-UPJWGTAASA-N 1 1 321.377 1.881 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000282728777 217206634 /nfs/dbraw/zinc/20/66/34/217206634.db2.gz LAZWGSFMDIEBQJ-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO COc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266386548 205308380 /nfs/dbraw/zinc/30/83/80/205308380.db2.gz NOEDMUGMIJBHEI-GFCCVEGCSA-N 1 1 308.382 1.651 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000359595606 299495359 /nfs/dbraw/zinc/49/53/59/299495359.db2.gz WOFCSGDWNPYAEM-NSHDSACASA-N 1 1 304.354 1.847 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)c2ncc(Cl)cc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284628844 218107042 /nfs/dbraw/zinc/10/70/42/218107042.db2.gz UMSGLUVSEUGWDX-QWRGUYRKSA-N 1 1 314.773 1.799 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000284740404 218158300 /nfs/dbraw/zinc/15/83/00/218158300.db2.gz DJIMXOKRVHQONB-HZPDHXFCSA-N 1 1 321.377 1.379 20 5 DDBDMO Cc1nn(C)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000294090773 223846281 /nfs/dbraw/zinc/84/62/81/223846281.db2.gz KFYKXYSNIQXZJU-OAHLLOKOSA-N 1 1 321.381 1.195 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106469358 194218626 /nfs/dbraw/zinc/21/86/26/194218626.db2.gz HWIORSDBMOKZQD-UHFFFAOYSA-N 1 1 302.352 1.128 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[N@@H+](C)C1 ZINC000285348983 218391996 /nfs/dbraw/zinc/39/19/96/218391996.db2.gz WWYREDMGFVOXAW-RYUDHWBXSA-N 1 1 323.349 1.092 20 5 DDBDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000060510990 184151005 /nfs/dbraw/zinc/15/10/05/184151005.db2.gz GZJMJBOTALXQPC-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000060510990 184151007 /nfs/dbraw/zinc/15/10/07/184151007.db2.gz GZJMJBOTALXQPC-LLVKDONJSA-N 1 1 313.379 1.357 20 5 DDBDMO CC[N@H+](CCC(=O)OC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000065670450 184376269 /nfs/dbraw/zinc/37/62/69/184376269.db2.gz DUPWSGXKHQZRDO-UHFFFAOYSA-N 1 1 309.322 1.418 20 5 DDBDMO CC[N@@H+](CCC(=O)OC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000065670450 184376270 /nfs/dbraw/zinc/37/62/70/184376270.db2.gz DUPWSGXKHQZRDO-UHFFFAOYSA-N 1 1 309.322 1.418 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000158960356 197314172 /nfs/dbraw/zinc/31/41/72/197314172.db2.gz RDNJOXFUFLNQAV-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO COC[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028472 533130842 /nfs/dbraw/zinc/13/08/42/533130842.db2.gz HFXUIFUSYPTRKX-CABCVRRESA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@@H]1O ZINC000352657977 285202597 /nfs/dbraw/zinc/20/25/97/285202597.db2.gz CPNFMVGJLPMTBJ-STQMWFEESA-N 1 1 318.333 1.990 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352696690 285234980 /nfs/dbraw/zinc/23/49/80/285234980.db2.gz JZUVJRYQXCGMNN-CFVMTHIKSA-N 1 1 310.350 1.180 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CCC[NH+]1CCOCC1)CCO2 ZINC000352709243 285244968 /nfs/dbraw/zinc/24/49/68/285244968.db2.gz ZMPPEKPQUHKEIC-UHFFFAOYSA-N 1 1 321.377 1.512 20 5 DDBDMO C[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000120713363 195221311 /nfs/dbraw/zinc/22/13/11/195221311.db2.gz NQBLQGRGUXLDFF-GFCCVEGCSA-N 1 1 320.393 1.919 20 5 DDBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1[C@H]1CCCO1 ZINC000289683222 221151810 /nfs/dbraw/zinc/15/18/10/221151810.db2.gz HUCLQSZCLQRODY-UKRRQHHQSA-N 1 1 321.377 1.646 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCOC1 ZINC000494957214 533327759 /nfs/dbraw/zinc/32/77/59/533327759.db2.gz NSWXHYMFZIQFRE-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000568921332 304321601 /nfs/dbraw/zinc/32/16/01/304321601.db2.gz AZHNFGBWABINSO-UHFFFAOYSA-N 1 1 315.333 1.274 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068338287 406633168 /nfs/dbraw/zinc/63/31/68/406633168.db2.gz VHQUPZQBELGFHM-VIFPVBQESA-N 1 1 312.345 1.776 20 5 DDBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048907704 407109628 /nfs/dbraw/zinc/10/96/28/407109628.db2.gz ZESNOVVKERVJHV-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000048907704 407109630 /nfs/dbraw/zinc/10/96/30/407109630.db2.gz ZESNOVVKERVJHV-QMMMGPOBSA-N 1 1 319.770 1.231 20 5 DDBDMO C[N@H+]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000097617813 407300216 /nfs/dbraw/zinc/30/02/16/407300216.db2.gz XNQBTEHEWUNMGG-UHFFFAOYSA-N 1 1 309.391 1.851 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000105611714 407354808 /nfs/dbraw/zinc/35/48/08/407354808.db2.gz UCXKSFNMZVUYKO-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000124661108 407365695 /nfs/dbraw/zinc/36/56/95/407365695.db2.gz KAYBMWKJJWPKLA-VXGBXAGGSA-N 1 1 309.370 1.123 20 5 DDBDMO CCOC(=O)CC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178558622 407490310 /nfs/dbraw/zinc/49/03/10/407490310.db2.gz HIJJHXHUPIHLDV-UHFFFAOYSA-N 1 1 323.349 1.443 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178558622 407490316 /nfs/dbraw/zinc/49/03/16/407490316.db2.gz HIJJHXHUPIHLDV-UHFFFAOYSA-N 1 1 323.349 1.443 20 5 DDBDMO CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266397153 407537872 /nfs/dbraw/zinc/53/78/72/407537872.db2.gz OXUDAIOITGXYOQ-OLZOCXBDSA-N 1 1 323.393 1.885 20 5 DDBDMO Cc1nn(C)c(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000114708716 407602081 /nfs/dbraw/zinc/60/20/81/407602081.db2.gz CITYILOIJIOCKF-UHFFFAOYSA-N 1 1 304.354 1.824 20 5 DDBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000152487194 407643438 /nfs/dbraw/zinc/64/34/38/407643438.db2.gz RXNUXMFSPNUMCN-UHFFFAOYSA-N 1 1 301.368 1.354 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CCO)c1ccccc1 ZINC000266940280 407683128 /nfs/dbraw/zinc/68/31/28/407683128.db2.gz PRMMKQAQSFIAMS-OAHLLOKOSA-N 1 1 304.350 1.847 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC23CCCCC3)n1 ZINC000271386703 407661446 /nfs/dbraw/zinc/66/14/46/407661446.db2.gz KNZLJSWHSSMGHY-UHFFFAOYSA-N 1 1 321.381 1.419 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000153159692 407766461 /nfs/dbraw/zinc/76/64/61/407766461.db2.gz VUKRLOGMFPPUQF-JKSUJKDBSA-N 1 1 314.345 1.662 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](CO)C3)n2)cc1 ZINC000267162641 407773203 /nfs/dbraw/zinc/77/32/03/407773203.db2.gz QXPCYLXQULKKBG-LLVKDONJSA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CO)C3)n2)cc1 ZINC000267162641 407773211 /nfs/dbraw/zinc/77/32/11/407773211.db2.gz QXPCYLXQULKKBG-LLVKDONJSA-N 1 1 318.333 1.849 20 5 DDBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000118107025 407893045 /nfs/dbraw/zinc/89/30/45/407893045.db2.gz BQQCOTGYCCIVPF-GFCCVEGCSA-N 1 1 320.349 1.052 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245418484 407969632 /nfs/dbraw/zinc/96/96/32/407969632.db2.gz AVNOIIBWGRTLRJ-BXUZGUMPSA-N 1 1 307.350 1.493 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245418484 407969636 /nfs/dbraw/zinc/96/96/36/407969636.db2.gz AVNOIIBWGRTLRJ-BXUZGUMPSA-N 1 1 307.350 1.493 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180754489 407915888 /nfs/dbraw/zinc/91/58/88/407915888.db2.gz JADLIZKSOJGVFY-NSHDSACASA-N 1 1 322.365 1.018 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272583420 407995540 /nfs/dbraw/zinc/99/55/40/407995540.db2.gz SCPUYFHGWOPXRK-JTQLQIEISA-N 1 1 313.304 1.755 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272596233 408000230 /nfs/dbraw/zinc/00/02/30/408000230.db2.gz IMISXLNLOUTTKI-IINYFYTJSA-N 1 1 304.350 1.343 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273121059 408063705 /nfs/dbraw/zinc/06/37/05/408063705.db2.gz HMMOILAFVIHNSM-DYEKYZERSA-N 1 1 310.350 1.037 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000119581449 408100096 /nfs/dbraw/zinc/10/00/96/408100096.db2.gz VLMKQDMUEHLALU-CYBMUJFWSA-N 1 1 323.397 1.276 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190171661 408182428 /nfs/dbraw/zinc/18/24/28/408182428.db2.gz OQJVSMPWHHRTAA-SNVBAGLBSA-N 1 1 310.354 1.919 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000268827292 408210731 /nfs/dbraw/zinc/21/07/31/408210731.db2.gz RGQWUTIKVSEWSQ-NSHDSACASA-N 1 1 307.354 1.050 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000268827288 408212093 /nfs/dbraw/zinc/21/20/93/408212093.db2.gz RGQWUTIKVSEWSQ-LLVKDONJSA-N 1 1 307.354 1.050 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000269479663 408324546 /nfs/dbraw/zinc/32/45/46/408324546.db2.gz XXHRWAJPQIWJQR-HNNXBMFYSA-N 1 1 321.377 1.562 20 5 DDBDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000190856466 408329907 /nfs/dbraw/zinc/32/99/07/408329907.db2.gz XSZMJBSKTGDBPE-PWSUYJOCSA-N 1 1 318.333 1.705 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269379623 408288908 /nfs/dbraw/zinc/28/89/08/408288908.db2.gz JBFIKGUPCVGDTL-NSHDSACASA-N 1 1 321.381 1.752 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000269379623 408288913 /nfs/dbraw/zinc/28/89/13/408288913.db2.gz JBFIKGUPCVGDTL-NSHDSACASA-N 1 1 321.381 1.752 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccccc3F)CC2)n1 ZINC000176189437 408303750 /nfs/dbraw/zinc/30/37/50/408303750.db2.gz MSFWOOGCBPIMQS-UHFFFAOYSA-N 1 1 319.340 1.753 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000165302466 162159679 /nfs/dbraw/zinc/15/96/79/162159679.db2.gz QCKNEVVWNOROHP-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246892716 408360790 /nfs/dbraw/zinc/36/07/90/408360790.db2.gz FHUVDBOOGVKANM-DOMZBBRYSA-N 1 1 319.361 1.668 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000171809681 162242684 /nfs/dbraw/zinc/24/26/84/162242684.db2.gz HMBVHIHORWIUKJ-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000176833794 408455301 /nfs/dbraw/zinc/45/53/01/408455301.db2.gz QQYIQOGNKPVBQL-LBPRGKRZSA-N 1 1 304.350 1.487 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000176833794 408455306 /nfs/dbraw/zinc/45/53/06/408455306.db2.gz QQYIQOGNKPVBQL-LBPRGKRZSA-N 1 1 304.350 1.487 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000183555122 408439543 /nfs/dbraw/zinc/43/95/43/408439543.db2.gz LKYWIPUPRNYJEG-WDEREUQCSA-N 1 1 307.354 1.936 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247506090 408483233 /nfs/dbraw/zinc/48/32/33/408483233.db2.gz XZVMHIZQSMTWGO-YGRLFVJLSA-N 1 1 306.366 1.757 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000247545939 408490790 /nfs/dbraw/zinc/49/07/90/408490790.db2.gz YIPSKNDDUFMRJG-JSGCOSHPSA-N 1 1 323.397 1.370 20 5 DDBDMO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247559688 408492560 /nfs/dbraw/zinc/49/25/60/408492560.db2.gz QQTRBHWTYFGOKQ-WCQYABFASA-N 1 1 305.338 1.031 20 5 DDBDMO C[C@H]1c2cccn2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247559688 408492562 /nfs/dbraw/zinc/49/25/62/408492562.db2.gz QQTRBHWTYFGOKQ-WCQYABFASA-N 1 1 305.338 1.031 20 5 DDBDMO CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248462881 408573744 /nfs/dbraw/zinc/57/37/44/408573744.db2.gz QFWBTHHABKBDED-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000248462881 408573750 /nfs/dbraw/zinc/57/37/50/408573750.db2.gz QFWBTHHABKBDED-KGLIPLIRSA-N 1 1 324.377 1.835 20 5 DDBDMO CC1(O)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000177330281 408582206 /nfs/dbraw/zinc/58/22/06/408582206.db2.gz OELFOFFRLGONKG-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265297301 408606446 /nfs/dbraw/zinc/60/64/46/408606446.db2.gz LNJCFHLJCWLTCP-LLVKDONJSA-N 1 1 309.370 1.051 20 5 DDBDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000162111606 408671392 /nfs/dbraw/zinc/67/13/92/408671392.db2.gz MVPVDQAFMZQEBU-AWEZNQCLSA-N 1 1 306.410 1.883 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000249256511 408707556 /nfs/dbraw/zinc/70/75/56/408707556.db2.gz HKTYHIWUIFHJQR-NHYWBVRUSA-N 1 1 318.377 1.733 20 5 DDBDMO O=C1CCCN1[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270858201 408711547 /nfs/dbraw/zinc/71/15/47/408711547.db2.gz HTWVJMCUVITGLF-AWEZNQCLSA-N 1 1 319.361 1.670 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000265628050 408719994 /nfs/dbraw/zinc/71/99/94/408719994.db2.gz RGJQUCLTACMPLL-CYBMUJFWSA-N 1 1 322.365 1.115 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]2C1 ZINC000193627968 408733891 /nfs/dbraw/zinc/73/38/91/408733891.db2.gz MADVJPWIUYDZIO-OKILXGFUSA-N 1 1 319.361 1.455 20 5 DDBDMO C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270949957 408756452 /nfs/dbraw/zinc/75/64/52/408756452.db2.gz LFTXFMIGGWFOTN-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000285857033 408877531 /nfs/dbraw/zinc/87/75/31/408877531.db2.gz IJSILTPKOHRNOT-BBRMVZONSA-N 1 1 305.378 1.890 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000290876225 408848783 /nfs/dbraw/zinc/84/87/83/408848783.db2.gz JIKXOYHHIUNNNK-JTQLQIEISA-N 1 1 311.386 1.731 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000285742691 408855090 /nfs/dbraw/zinc/85/50/90/408855090.db2.gz LBPORQYPDAGMDM-ZWNOBZJWSA-N 1 1 319.365 1.407 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000282094572 408989997 /nfs/dbraw/zinc/98/99/97/408989997.db2.gz OWOJEYKSQXETGV-NWDGAFQWSA-N 1 1 311.357 1.621 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000278084529 409062650 /nfs/dbraw/zinc/06/26/50/409062650.db2.gz XMHWNZKBIVMTMQ-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO CCOCC[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278304020 409079115 /nfs/dbraw/zinc/07/91/15/409079115.db2.gz GVHDRAUTNAKLMS-UHFFFAOYSA-N 1 1 320.393 1.721 20 5 DDBDMO CCNC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000293351423 409094977 /nfs/dbraw/zinc/09/49/77/409094977.db2.gz TWBUFGXTHBWFNS-AWEZNQCLSA-N 1 1 309.366 1.854 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293373625 409099918 /nfs/dbraw/zinc/09/99/18/409099918.db2.gz JIIXDRMVULFSSF-FRRDWIJNSA-N 1 1 320.393 1.946 20 5 DDBDMO C[C@@H]([N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295223021 409382965 /nfs/dbraw/zinc/38/29/65/409382965.db2.gz VVKRZAWYDIXMDI-VXGBXAGGSA-N 1 1 312.366 1.426 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000322339192 164046726 /nfs/dbraw/zinc/04/67/26/164046726.db2.gz BPZNZCQJDOXCJM-MNOVXSKESA-N 1 1 320.349 1.815 20 5 DDBDMO C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000296435826 409553204 /nfs/dbraw/zinc/55/32/04/409553204.db2.gz TVJOAUQDLFIXAZ-BETUJISGSA-N 1 1 320.393 1.871 20 5 DDBDMO CCc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304371958 409617470 /nfs/dbraw/zinc/61/74/70/409617470.db2.gz WICHQQOBOBVPNV-MRXNPFEDSA-N 1 1 318.377 1.847 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000304339050 409609101 /nfs/dbraw/zinc/60/91/01/409609101.db2.gz PGALAKOWPHARFT-CVEARBPZSA-N 1 1 316.361 1.989 20 5 DDBDMO Cc1[nH+]ccn1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000342673028 409800275 /nfs/dbraw/zinc/80/02/75/409800275.db2.gz VJUYQQRGMUYOCQ-UHFFFAOYSA-N 1 1 300.274 1.396 20 5 DDBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000342695699 409820778 /nfs/dbraw/zinc/82/07/78/409820778.db2.gz PTEULVODKBKSNJ-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1CCOC ZINC000346560369 410017019 /nfs/dbraw/zinc/01/70/19/410017019.db2.gz BBGQMSJMAUJAKR-GFCCVEGCSA-N 1 1 324.381 1.496 20 5 DDBDMO COc1cc(CN2CCC[N@H+]([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000346631768 410047069 /nfs/dbraw/zinc/04/70/69/410047069.db2.gz DGLFEQCGJFKVHB-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000346654075 410058352 /nfs/dbraw/zinc/05/83/52/410058352.db2.gz RFIDNXQITWUKML-LBPRGKRZSA-N 1 1 311.357 1.622 20 5 DDBDMO C[C@@H]1CC[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 ZINC000298036789 410088058 /nfs/dbraw/zinc/08/80/58/410088058.db2.gz GVJWYPUQRMXLDV-CHWSQXEVSA-N 1 1 306.366 1.679 20 5 DDBDMO Cc1nccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000351639854 410129998 /nfs/dbraw/zinc/12/99/98/410129998.db2.gz FUYOOEPRXQZZGV-CYBMUJFWSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1nccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000351639854 410130003 /nfs/dbraw/zinc/13/00/03/410130003.db2.gz FUYOOEPRXQZZGV-CYBMUJFWSA-N 1 1 314.349 1.775 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298288927 410168029 /nfs/dbraw/zinc/16/80/29/410168029.db2.gz IFPWOMWYPSKKFA-NSHDSACASA-N 1 1 321.381 1.765 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cn(CCCn2cc[nH+]c2C)c1=O ZINC000298525045 410271752 /nfs/dbraw/zinc/27/17/52/410271752.db2.gz WJESZMRDEQJVKA-UHFFFAOYSA-N 1 1 320.305 1.138 20 5 DDBDMO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339621172 410338851 /nfs/dbraw/zinc/33/88/51/410338851.db2.gz GERMDTZPVSWVJV-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000298725049 410365377 /nfs/dbraw/zinc/36/53/77/410365377.db2.gz PPMOUGKLHKHUBF-UWVGGRQHSA-N 1 1 324.385 1.267 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000351959190 410371016 /nfs/dbraw/zinc/37/10/16/410371016.db2.gz NVEPXUQRWPCOJR-CABZTGNLSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1O ZINC000351959190 410371019 /nfs/dbraw/zinc/37/10/19/410371019.db2.gz NVEPXUQRWPCOJR-CABZTGNLSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000298755312 410384078 /nfs/dbraw/zinc/38/40/78/410384078.db2.gz YACISCNPJBTAGD-GHMZBOCLSA-N 1 1 321.381 1.621 20 5 DDBDMO O=C1[C@H]([N@H+]2CCC[C@@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782703 410458249 /nfs/dbraw/zinc/45/82/49/410458249.db2.gz HESNXNCXLGUGCK-HUUCEWRRSA-N 1 1 319.361 1.547 20 5 DDBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc([N+](=O)[O-])c[nH]3)n1)OC2 ZINC000347332769 410478784 /nfs/dbraw/zinc/47/87/84/410478784.db2.gz IGYRQWBFOHNGPN-BXUZGUMPSA-N 1 1 319.321 1.899 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000355376248 410480977 /nfs/dbraw/zinc/48/09/77/410480977.db2.gz XEPFMWCKHRBWAD-CABCVRRESA-N 1 1 319.361 1.530 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233280 410566103 /nfs/dbraw/zinc/56/61/03/410566103.db2.gz BOHGUXSLWWWKEN-DOMZBBRYSA-N 1 1 319.361 1.668 20 5 DDBDMO COC1CC([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000352214145 410555123 /nfs/dbraw/zinc/55/51/23/410555123.db2.gz YGYYFUSYZRVEEK-JVWICGRDSA-N 1 1 310.350 1.444 20 5 DDBDMO CCOc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507762 410732809 /nfs/dbraw/zinc/73/28/09/410732809.db2.gz HMLKTWVJQWVXJL-STQMWFEESA-N 1 1 323.393 1.885 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353040145 410754005 /nfs/dbraw/zinc/75/40/05/410754005.db2.gz NIBAZDMKTGMDLQ-HOCLYGCPSA-N 1 1 316.361 1.469 20 5 DDBDMO Cc1nc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301662799 410767289 /nfs/dbraw/zinc/76/72/89/410767289.db2.gz NDSWHYVPUMRNEH-KBPBESRZSA-N 1 1 320.393 1.724 20 5 DDBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000330586575 410801903 /nfs/dbraw/zinc/80/19/03/410801903.db2.gz LSOFUORHDRJYCT-OLZOCXBDSA-N 1 1 320.393 1.582 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000330677528 410868936 /nfs/dbraw/zinc/86/89/36/410868936.db2.gz VHTBYMGFWJXNDD-NSHDSACASA-N 1 1 309.370 1.241 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@H]1C ZINC000330680325 410872685 /nfs/dbraw/zinc/87/26/85/410872685.db2.gz YLXIWHRSGMWGIC-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1C ZINC000330680325 410872691 /nfs/dbraw/zinc/87/26/91/410872691.db2.gz YLXIWHRSGMWGIC-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1C ZINC000330680325 410872696 /nfs/dbraw/zinc/87/26/96/410872696.db2.gz YLXIWHRSGMWGIC-CYBMUJFWSA-N 1 1 320.393 1.868 20 5 DDBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000330679903 410874110 /nfs/dbraw/zinc/87/41/10/410874110.db2.gz YESWMKLXPYYBOU-JQWIXIFHSA-N 1 1 309.366 1.881 20 5 DDBDMO Cc1nn(CCC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605531 410820896 /nfs/dbraw/zinc/82/08/96/410820896.db2.gz ZDVYNUWHKZJQQQ-MNOVXSKESA-N 1 1 323.397 1.349 20 5 DDBDMO CC(=O)NC1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000344083338 410943421 /nfs/dbraw/zinc/94/34/21/410943421.db2.gz DZQHMQWWCKNKQO-UHFFFAOYSA-N 1 1 309.370 1.170 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000359997288 410988910 /nfs/dbraw/zinc/98/89/10/410988910.db2.gz ACKNSHREPVCQND-OAHLLOKOSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CN)C1CC1 ZINC000359997288 410988917 /nfs/dbraw/zinc/98/89/17/410988917.db2.gz ACKNSHREPVCQND-OAHLLOKOSA-N 1 1 320.393 1.901 20 5 DDBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000348522944 410998130 /nfs/dbraw/zinc/99/81/30/410998130.db2.gz AQSBBLMXRRVNSX-VXGBXAGGSA-N 1 1 307.350 1.559 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331197235 411011628 /nfs/dbraw/zinc/01/16/28/411011628.db2.gz OCNYOQCGKTYBCF-GFCCVEGCSA-N 1 1 307.350 1.445 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331197235 411011630 /nfs/dbraw/zinc/01/16/30/411011630.db2.gz OCNYOQCGKTYBCF-GFCCVEGCSA-N 1 1 307.350 1.445 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356472353 411047301 /nfs/dbraw/zinc/04/73/01/411047301.db2.gz ZQFJVRPMILOPNV-PHIMTYICSA-N 1 1 309.370 1.321 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c[nH]c4nccnc34)nc2c1 ZINC000356411641 411015737 /nfs/dbraw/zinc/01/57/37/411015737.db2.gz YAZYCPREFVCRJZ-UHFFFAOYSA-N 1 1 323.316 1.984 20 5 DDBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000353686553 411109718 /nfs/dbraw/zinc/10/97/18/411109718.db2.gz FQTNUPWVXNSPIG-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000353686553 411109719 /nfs/dbraw/zinc/10/97/19/411109719.db2.gz FQTNUPWVXNSPIG-UHFFFAOYSA-N 1 1 311.313 1.186 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000419334999 226122063 /nfs/dbraw/zinc/12/20/63/226122063.db2.gz VYAZMLAXPPUEJS-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366332974 418459594 /nfs/dbraw/zinc/45/95/94/418459594.db2.gz PNBADEOIFUWTCF-USWWRNFRSA-N 1 1 303.318 1.250 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000191804250 222109439 /nfs/dbraw/zinc/10/94/39/222109439.db2.gz YDFIXTJISBZDLB-UHFFFAOYSA-N 1 1 309.370 1.415 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000375031283 418592422 /nfs/dbraw/zinc/59/24/22/418592422.db2.gz NPCGQTGCLAWNHP-DOMZBBRYSA-N 1 1 318.377 1.559 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])o1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361199466 418604486 /nfs/dbraw/zinc/60/44/86/418604486.db2.gz DUQVIHZZTVSCAF-SRVKXCTJSA-N 1 1 305.334 1.744 20 5 DDBDMO O=C1NCCN1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361308679 418622163 /nfs/dbraw/zinc/62/21/63/418622163.db2.gz DYLLQWYWBLULBO-OAHLLOKOSA-N 1 1 318.377 1.627 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373239741 418933468 /nfs/dbraw/zinc/93/34/68/418933468.db2.gz BAAKPOKEWARYLZ-OAHLLOKOSA-N 1 1 305.334 1.041 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1CCO ZINC000426215042 419405707 /nfs/dbraw/zinc/40/57/07/419405707.db2.gz HQYHBTWWEVELDJ-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000426215042 419405712 /nfs/dbraw/zinc/40/57/12/419405712.db2.gz HQYHBTWWEVELDJ-LBPRGKRZSA-N 1 1 307.350 1.689 20 5 DDBDMO COC(=O)[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000411912324 419476070 /nfs/dbraw/zinc/47/60/70/419476070.db2.gz VGKZXMDOVOWJLI-OLZOCXBDSA-N 1 1 321.377 1.692 20 5 DDBDMO O=[N+]([O-])c1ccnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421845182 419748827 /nfs/dbraw/zinc/74/88/27/419748827.db2.gz PTLWTAVNLBHZJG-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434444369 229297477 /nfs/dbraw/zinc/29/74/77/229297477.db2.gz BZTWYNXXCIRIPR-LLVKDONJSA-N 1 1 307.354 1.075 20 5 DDBDMO COCC[NH2+]CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423325518 420013578 /nfs/dbraw/zinc/01/35/78/420013578.db2.gz IWSCJUDQULLFTD-CHWSQXEVSA-N 1 1 311.386 1.101 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000430787130 420190079 /nfs/dbraw/zinc/19/00/79/420190079.db2.gz FFLGINURLBHFHV-JSGCOSHPSA-N 1 1 321.377 1.881 20 5 DDBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430967672 420227600 /nfs/dbraw/zinc/22/76/00/420227600.db2.gz UDUFBENVXWVGAC-BXUZGUMPSA-N 1 1 306.366 1.593 20 5 DDBDMO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@H+]1CCO ZINC000432169838 420241241 /nfs/dbraw/zinc/24/12/41/420241241.db2.gz NEYZOLLTTSKBTA-LBPRGKRZSA-N 1 1 316.361 1.646 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420390872 420257685 /nfs/dbraw/zinc/25/76/85/420257685.db2.gz RKULHDCHCHLVMT-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420606510 420329456 /nfs/dbraw/zinc/32/94/56/420329456.db2.gz XJJSHJREMYWIDB-LLVKDONJSA-N 1 1 306.366 1.980 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000425286172 420339917 /nfs/dbraw/zinc/33/99/17/420339917.db2.gz QDHZZKLLSJPSGK-VHSXEESVSA-N 1 1 307.379 1.834 20 5 DDBDMO COc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450793494 420531250 /nfs/dbraw/zinc/53/12/50/420531250.db2.gz PRLHNUPDSIVXMO-BETUJISGSA-N 1 1 307.350 1.879 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457000401 420584345 /nfs/dbraw/zinc/58/43/45/420584345.db2.gz UQUKUJJLYKIOCC-CQSZACIVSA-N 1 1 300.318 1.710 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443054760 420740788 /nfs/dbraw/zinc/74/07/88/420740788.db2.gz AASGDTYZHGIQNX-ZDUSSCGKSA-N 1 1 320.393 1.903 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000447813630 420804794 /nfs/dbraw/zinc/80/47/94/420804794.db2.gz STZFBLNPCRTPTP-LLVKDONJSA-N 1 1 318.381 2.170 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000454736257 420918073 /nfs/dbraw/zinc/91/80/73/420918073.db2.gz YVWSOVVTRNPEPL-HIFRSBDPSA-N 1 1 318.377 1.483 20 5 DDBDMO [NH3+][C@H]1CCC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449635814 421041061 /nfs/dbraw/zinc/04/10/61/421041061.db2.gz CHSPHBDNIFPSKI-UWVGGRQHSA-N 1 1 317.349 1.718 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000456355131 421146922 /nfs/dbraw/zinc/14/69/22/421146922.db2.gz PXRBFQFSOIFLAZ-ZDUSSCGKSA-N 1 1 321.377 1.916 20 5 DDBDMO C[C@H]1COCC[N@@H+]1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450310924 421180638 /nfs/dbraw/zinc/18/06/38/421180638.db2.gz CBZRTBADRNLGMI-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO C[C@H]1COCC[N@H+]1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450310924 421180640 /nfs/dbraw/zinc/18/06/40/421180640.db2.gz CBZRTBADRNLGMI-LBPRGKRZSA-N 1 1 316.361 2.276 20 5 DDBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])nc2)C1 ZINC000450397908 421192949 /nfs/dbraw/zinc/19/29/49/421192949.db2.gz WMGXQDTZXMMBIP-SECBINFHSA-N 1 1 321.366 1.079 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548731891 421467990 /nfs/dbraw/zinc/46/79/90/421467990.db2.gz LJQDKYVLLDTDRJ-CYBMUJFWSA-N 1 1 306.366 1.840 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000516157681 421531467 /nfs/dbraw/zinc/53/14/67/421531467.db2.gz RZKHWDOEDKQMDT-AWEZNQCLSA-N 1 1 319.361 1.573 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)C(C)(C)C1 ZINC000556084579 421699961 /nfs/dbraw/zinc/69/99/61/421699961.db2.gz GIGQFUGPQATWFN-GFCCVEGCSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572177867 421767153 /nfs/dbraw/zinc/76/71/53/421767153.db2.gz DNQIOUFHBYIYMC-GFCCVEGCSA-N 1 1 321.381 1.297 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCNC1 ZINC000423193937 533685405 /nfs/dbraw/zinc/68/54/05/533685405.db2.gz RCQRFWBUISWOOY-YPMHNXCESA-N 1 1 306.366 1.654 20 5 DDBDMO CC(C)Oc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565854 422350371 /nfs/dbraw/zinc/35/03/71/422350371.db2.gz ISIVTQRRTQGGBC-YPMHNXCESA-N 1 1 324.381 1.908 20 5 DDBDMO CC(C)Oc1nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000594565854 422350376 /nfs/dbraw/zinc/35/03/76/422350376.db2.gz ISIVTQRRTQGGBC-YPMHNXCESA-N 1 1 324.381 1.908 20 5 DDBDMO CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000314828408 271013062 /nfs/dbraw/zinc/01/30/62/271013062.db2.gz FPZUMGHRGAJKMC-GFCCVEGCSA-N 1 1 306.366 1.803 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](C2CCC2)C1 ZINC000344730679 272103902 /nfs/dbraw/zinc/10/39/02/272103902.db2.gz PHXNXZCKVRYQAQ-NSHDSACASA-N 1 1 306.366 1.869 20 5 DDBDMO COCC[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269378641 274027183 /nfs/dbraw/zinc/02/71/83/274027183.db2.gz OKTMFGOGASZULO-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO ZINC000444686810 274267052 /nfs/dbraw/zinc/26/70/52/274267052.db2.gz UEMOKZFSLIMOIA-VHSXEESVSA-N 1 1 308.338 1.035 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO ZINC000444686810 274267053 /nfs/dbraw/zinc/26/70/53/274267053.db2.gz UEMOKZFSLIMOIA-VHSXEESVSA-N 1 1 308.338 1.035 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c2ncccc12 ZINC000171506901 275036097 /nfs/dbraw/zinc/03/60/97/275036097.db2.gz WHCSZZVSFDBBEM-UHFFFAOYSA-N 1 1 316.361 1.647 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000337313357 277047081 /nfs/dbraw/zinc/04/70/81/277047081.db2.gz ADTGSDZSFSXCSZ-AWEZNQCLSA-N 1 1 319.409 1.596 20 5 DDBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282503887 279210889 /nfs/dbraw/zinc/21/08/89/279210889.db2.gz WXVLABGVGAVXFS-LBPRGKRZSA-N 1 1 323.349 1.193 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CNCC[C@@H]1C ZINC000414932431 279247515 /nfs/dbraw/zinc/24/75/15/279247515.db2.gz RBXQHEKUBICHDF-ZOWXZIJZSA-N 1 1 320.393 1.900 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000130583034 281386626 /nfs/dbraw/zinc/38/66/26/281386626.db2.gz GDGLIIJQQIGANV-UHFFFAOYSA-N 1 1 317.349 1.844 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000247232101 282039937 /nfs/dbraw/zinc/03/99/37/282039937.db2.gz ZJFCKPPYVIDVQI-NWDGAFQWSA-N 1 1 307.350 1.890 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000165683178 298215961 /nfs/dbraw/zinc/21/59/61/298215961.db2.gz LLLJFOBSZBXJRR-LBPRGKRZSA-N 1 1 323.397 1.713 20 5 DDBDMO C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295445291 300183264 /nfs/dbraw/zinc/18/32/64/300183264.db2.gz AJSCWHSTLHTWNI-LLVKDONJSA-N 1 1 318.377 1.733 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000366919264 300772161 /nfs/dbraw/zinc/77/21/61/300772161.db2.gz CJWXYFBOQUVWOC-MRXNPFEDSA-N 1 1 316.361 1.642 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000368404320 301019957 /nfs/dbraw/zinc/01/99/57/301019957.db2.gz LIHNCFGZVNSCLG-VXGBXAGGSA-N 1 1 323.378 1.446 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000368404320 301019960 /nfs/dbraw/zinc/01/99/60/301019960.db2.gz LIHNCFGZVNSCLG-VXGBXAGGSA-N 1 1 323.378 1.446 20 5 DDBDMO COc1cccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000368486706 301038872 /nfs/dbraw/zinc/03/88/72/301038872.db2.gz OVOOCYZDYUSQDC-RYUDHWBXSA-N 1 1 307.350 1.879 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000368872553 301098338 /nfs/dbraw/zinc/09/83/38/301098338.db2.gz LPEXJAQJYIUBQA-CYBMUJFWSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000368872553 301098341 /nfs/dbraw/zinc/09/83/41/301098341.db2.gz LPEXJAQJYIUBQA-CYBMUJFWSA-N 1 1 303.322 1.642 20 5 DDBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369912998 301238720 /nfs/dbraw/zinc/23/87/20/301238720.db2.gz MLUACXOGYBHBNP-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000369912998 301238723 /nfs/dbraw/zinc/23/87/23/301238723.db2.gz MLUACXOGYBHBNP-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369912998 301238724 /nfs/dbraw/zinc/23/87/24/301238724.db2.gz MLUACXOGYBHBNP-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000370376357 301327012 /nfs/dbraw/zinc/32/70/12/301327012.db2.gz ZJUWMOTYYHEUEM-HNNXBMFYSA-N 1 1 318.377 1.893 20 5 DDBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377481539 302183666 /nfs/dbraw/zinc/18/36/66/302183666.db2.gz LZKAHZGMXOUWRT-QWHCGFSZSA-N 1 1 319.361 1.496 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000377510192 302187899 /nfs/dbraw/zinc/18/78/99/302187899.db2.gz FKHBQBSVJBESCW-VXGBXAGGSA-N 1 1 323.324 1.327 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000532873287 303300281 /nfs/dbraw/zinc/30/02/81/303300281.db2.gz IWMHOVJXGZFOBF-UHFFFAOYSA-N 1 1 306.366 1.832 20 5 DDBDMO O=C(CC[N@@H+]1C[C@@H](O)C2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364444973 307045834 /nfs/dbraw/zinc/04/58/34/307045834.db2.gz RFHMFASCNZFKKW-CYBMUJFWSA-N 1 1 305.334 1.380 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608734 307191951 /nfs/dbraw/zinc/19/19/51/307191951.db2.gz DTVBFYPHPNCEIB-BFYDXBDKSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608734 307191952 /nfs/dbraw/zinc/19/19/52/307191952.db2.gz DTVBFYPHPNCEIB-BFYDXBDKSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608734 307191953 /nfs/dbraw/zinc/19/19/53/307191953.db2.gz DTVBFYPHPNCEIB-BFYDXBDKSA-N 1 1 317.389 1.823 20 5 DDBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301691 307242578 /nfs/dbraw/zinc/24/25/78/307242578.db2.gz HTFUGVZZEAGRCO-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376301691 307242579 /nfs/dbraw/zinc/24/25/79/307242579.db2.gz HTFUGVZZEAGRCO-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376301691 307242580 /nfs/dbraw/zinc/24/25/80/307242580.db2.gz HTFUGVZZEAGRCO-BZUAXINKSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000567345836 308078717 /nfs/dbraw/zinc/07/87/17/308078717.db2.gz VTVMCALZTVGXPL-VNHYZAJKSA-N 1 1 323.393 1.407 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000570686454 308176838 /nfs/dbraw/zinc/17/68/38/308176838.db2.gz QWUBXASGZUXKKM-NSHDSACASA-N 1 1 312.345 1.676 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000570686454 308176839 /nfs/dbraw/zinc/17/68/39/308176839.db2.gz QWUBXASGZUXKKM-NSHDSACASA-N 1 1 312.345 1.676 20 5 DDBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728632 484215715 /nfs/dbraw/zinc/21/57/15/484215715.db2.gz FLAAXYDCEIKKJP-CMPLNLGQSA-N 1 1 318.333 1.848 20 5 DDBDMO CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000493796299 484239474 /nfs/dbraw/zinc/23/94/74/484239474.db2.gz OTSKTBCHCUMZAA-OCCSQVGLSA-N 1 1 324.381 1.262 20 5 DDBDMO COc1cc(C[NH2+][C@H](CO)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000494808283 533903947 /nfs/dbraw/zinc/90/39/47/533903947.db2.gz JFMONQDDOCKZOH-GFCCVEGCSA-N 1 1 306.322 1.160 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688248 534249579 /nfs/dbraw/zinc/24/95/79/534249579.db2.gz IXNNWQYUAJKGKC-WDEREUQCSA-N 1 1 303.366 1.996 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000305816457 534339513 /nfs/dbraw/zinc/33/95/13/534339513.db2.gz AFEQTHIZEVAROK-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000305816457 534339520 /nfs/dbraw/zinc/33/95/20/534339520.db2.gz AFEQTHIZEVAROK-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000156015143 519678120 /nfs/dbraw/zinc/67/81/20/519678120.db2.gz AHOWTNUTZTUWSL-LLVKDONJSA-N 1 1 322.365 1.546 20 5 DDBDMO Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452378485 534608441 /nfs/dbraw/zinc/60/84/41/534608441.db2.gz WZIRVILBGOEHHK-CYBMUJFWSA-N 1 1 321.377 1.480 20 5 DDBDMO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000158396888 527233269 /nfs/dbraw/zinc/23/32/69/527233269.db2.gz AHWGPOIKBLMUSP-BXKDBHETSA-N 1 1 317.349 1.718 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451546092 528062478 /nfs/dbraw/zinc/06/24/78/528062478.db2.gz RUWREUVSSJMUOK-ABAIWWIYSA-N 1 1 321.377 1.941 20 5 DDBDMO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)OC ZINC000299362299 528400046 /nfs/dbraw/zinc/40/00/46/528400046.db2.gz VXXPPNVTIDWGQT-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)OC ZINC000299362299 528400051 /nfs/dbraw/zinc/40/00/51/528400051.db2.gz VXXPPNVTIDWGQT-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250279 529344018 /nfs/dbraw/zinc/34/40/18/529344018.db2.gz DEJJOPRJGSIONL-WFASDCNBSA-N 1 1 321.377 1.650 20 5 DDBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825459827 607452021 /nfs/dbraw/zinc/45/20/21/607452021.db2.gz OMDZYRATYOWXRR-UHFFFAOYSA-N 1 1 317.353 1.307 20 5 DDBDMO C[C@@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000820669008 606711922 /nfs/dbraw/zinc/71/19/22/606711922.db2.gz YKKPZWLSYHOSIN-RKDXNWHRSA-N 1 1 318.341 1.065 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000126747974 696764961 /nfs/dbraw/zinc/76/49/61/696764961.db2.gz OZDDUQJPHPFYGO-LLVKDONJSA-N 1 1 318.782 1.915 20 5 DDBDMO CC1(C)CC(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000981137974 697015597 /nfs/dbraw/zinc/01/55/97/697015597.db2.gz IZAMPTXNLARKQD-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC1(C)CC(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000981137974 697015600 /nfs/dbraw/zinc/01/56/00/697015600.db2.gz IZAMPTXNLARKQD-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC1(C)CC(C[N@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000981137974 697015602 /nfs/dbraw/zinc/01/56/02/697015602.db2.gz IZAMPTXNLARKQD-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO Cc1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983650503 697286488 /nfs/dbraw/zinc/28/64/88/697286488.db2.gz VDCXREOZYZHAPP-DDHJBXDOSA-N 1 1 324.406 1.101 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655339 697286895 /nfs/dbraw/zinc/28/68/95/697286895.db2.gz SRKUWQPHJCKLFB-HJQYOEGKSA-N 1 1 317.336 1.181 20 5 DDBDMO CCC[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000159833888 697312393 /nfs/dbraw/zinc/31/23/93/697312393.db2.gz KGDBIGRZSNJZPO-CYBMUJFWSA-N 1 1 311.386 1.182 20 5 DDBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772910648 697693568 /nfs/dbraw/zinc/69/35/68/697693568.db2.gz RQRNXXKWKRQJIR-UHFFFAOYSA-N 1 1 306.326 1.078 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000778307512 698259839 /nfs/dbraw/zinc/25/98/39/698259839.db2.gz GGMPLFHPPXRURA-GFCCVEGCSA-N 1 1 316.304 1.720 20 5 DDBDMO O=C1[C@H]([N@H+]2C[C@H]3C[C@@]3(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000782613391 698750593 /nfs/dbraw/zinc/75/05/93/698750593.db2.gz HXIGCXXQUOJDKO-XFJVYGCCSA-N 1 1 317.345 1.014 20 5 DDBDMO CC[N@H+](C[C@@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738077784 699752064 /nfs/dbraw/zinc/75/20/64/699752064.db2.gz XDHDAEAERAANHA-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO CC[N@@H+](C[C@@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738077784 699752066 /nfs/dbraw/zinc/75/20/66/699752066.db2.gz XDHDAEAERAANHA-NSHDSACASA-N 1 1 321.333 1.819 20 5 DDBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000796578725 699940130 /nfs/dbraw/zinc/94/01/30/699940130.db2.gz JXQYSNFJMUYYFS-TUKIKUTGSA-N 1 1 310.350 1.100 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000751918867 700326449 /nfs/dbraw/zinc/32/64/49/700326449.db2.gz IEXCISVKVAWYOC-OUKQBFOZSA-N 1 1 321.377 1.693 20 5 DDBDMO COC[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751949552 700329842 /nfs/dbraw/zinc/32/98/42/700329842.db2.gz LQWJNTAPBYORQY-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO COC(=O)[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000755928320 700593361 /nfs/dbraw/zinc/59/33/61/700593361.db2.gz XLEUENIDNZXVME-ZWNOBZJWSA-N 1 1 318.333 1.643 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759874424 700778907 /nfs/dbraw/zinc/77/89/07/700778907.db2.gz HUNAIQYUFAOVBV-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759874424 700778908 /nfs/dbraw/zinc/77/89/08/700778908.db2.gz HUNAIQYUFAOVBV-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)C1 ZINC000761077256 700840219 /nfs/dbraw/zinc/84/02/19/700840219.db2.gz NSJRNHKQSISBLY-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)C3CC3)n2)cc1 ZINC000763088160 700925139 /nfs/dbraw/zinc/92/51/39/700925139.db2.gz WJAXVAVMPUOVSL-LBPRGKRZSA-N 1 1 304.306 1.505 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000803856623 701150105 /nfs/dbraw/zinc/15/01/05/701150105.db2.gz SSXQQOSALDTAJA-GFCCVEGCSA-N 1 1 310.354 1.599 20 5 DDBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000770237079 701272460 /nfs/dbraw/zinc/27/24/60/701272460.db2.gz RMXPEBVWAVLZQO-ZDJYVOAGSA-N 1 1 319.361 1.443 20 5 DDBDMO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000770237079 701272461 /nfs/dbraw/zinc/27/24/61/701272461.db2.gz RMXPEBVWAVLZQO-ZDJYVOAGSA-N 1 1 319.361 1.443 20 5 DDBDMO COc1cccc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000770739797 701292730 /nfs/dbraw/zinc/29/27/30/701292730.db2.gz MFGNFBCSIRNLQU-NSHDSACASA-N 1 1 307.350 1.818 20 5 DDBDMO CNC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000839664770 701771690 /nfs/dbraw/zinc/77/16/90/701771690.db2.gz CUUSOLDMWKJOFV-UHFFFAOYSA-N 1 1 310.329 1.627 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839689932 701785251 /nfs/dbraw/zinc/78/52/51/701785251.db2.gz CHJBGEOSVBZVHU-RRFJBIMHSA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689932 701785255 /nfs/dbraw/zinc/78/52/55/701785255.db2.gz CHJBGEOSVBZVHU-RRFJBIMHSA-N 1 1 303.362 1.385 20 5 DDBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839689932 701785257 /nfs/dbraw/zinc/78/52/57/701785257.db2.gz CHJBGEOSVBZVHU-RRFJBIMHSA-N 1 1 303.362 1.385 20 5 DDBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000867921438 701831577 /nfs/dbraw/zinc/83/15/77/701831577.db2.gz KQXKAEFZHSUFIG-UHFFFAOYSA-N 1 1 307.325 1.655 20 5 DDBDMO C[C@H]1CSCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867927793 701835284 /nfs/dbraw/zinc/83/52/84/701835284.db2.gz OMWUBFXVHLOEEN-HZMBPMFUSA-N 1 1 309.391 1.733 20 5 DDBDMO COC(=O)[C@H]1CN(c2ccc(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840361680 702083324 /nfs/dbraw/zinc/08/33/24/702083324.db2.gz ZKTSIJJHWYKGBP-GFCCVEGCSA-N 1 1 307.350 1.444 20 5 DDBDMO CN1CC[NH+](C2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000866212994 706651174 /nfs/dbraw/zinc/65/11/74/706651174.db2.gz PCZDIZSFUSCIOL-UHFFFAOYSA-N 1 1 310.423 1.873 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000816950098 702234270 /nfs/dbraw/zinc/23/42/70/702234270.db2.gz LVEWAWGJOSJTTG-IINYFYTJSA-N 1 1 323.324 1.275 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@@H]2C1 ZINC000816952046 702234966 /nfs/dbraw/zinc/23/49/66/702234966.db2.gz BEMWUXMHGRUYJB-AMIZOPFISA-N 1 1 308.313 1.092 20 5 DDBDMO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000879332926 706652483 /nfs/dbraw/zinc/65/24/83/706652483.db2.gz NITXSJKYUGEATK-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000879332926 706652484 /nfs/dbraw/zinc/65/24/84/706652484.db2.gz NITXSJKYUGEATK-ZDUSSCGKSA-N 1 1 306.366 1.878 20 5 DDBDMO O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842324874 702703680 /nfs/dbraw/zinc/70/36/80/702703680.db2.gz IKRIUCSRTGZJJM-ZIAGYGMSSA-N 1 1 308.334 1.700 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842836509 702781907 /nfs/dbraw/zinc/78/19/07/702781907.db2.gz PIFGPKWUFLLINP-LBPRGKRZSA-N 1 1 310.354 1.455 20 5 DDBDMO COc1ncncc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000843395227 702873150 /nfs/dbraw/zinc/87/31/50/702873150.db2.gz QXTAEFWUGPXTOM-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1ncncc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000843395227 702873153 /nfs/dbraw/zinc/87/31/53/702873153.db2.gz QXTAEFWUGPXTOM-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO [NH3+]CC(F)(F)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000846673636 703312958 /nfs/dbraw/zinc/31/29/58/703312958.db2.gz WDBRJDPDYKMIBB-UHFFFAOYSA-N 1 1 307.684 1.849 20 5 DDBDMO C[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848478687 703555019 /nfs/dbraw/zinc/55/50/19/703555019.db2.gz QURMULKENIFCHM-GJZGRUSLSA-N 1 1 319.361 1.589 20 5 DDBDMO C[N@@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848478687 703555020 /nfs/dbraw/zinc/55/50/20/703555020.db2.gz QURMULKENIFCHM-GJZGRUSLSA-N 1 1 319.361 1.589 20 5 DDBDMO CCOCC[N@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483238 703555864 /nfs/dbraw/zinc/55/58/64/703555864.db2.gz AGIWAFXOPCBKEI-HNNXBMFYSA-N 1 1 321.377 1.837 20 5 DDBDMO CCOCC[N@@H+](C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483238 703555865 /nfs/dbraw/zinc/55/58/65/703555865.db2.gz AGIWAFXOPCBKEI-HNNXBMFYSA-N 1 1 321.377 1.837 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852500764 704064172 /nfs/dbraw/zinc/06/41/72/704064172.db2.gz DKDYKZIVGDFEFH-CVEARBPZSA-N 1 1 306.362 1.865 20 5 DDBDMO O=C(CC[N@H+]1CCC2(COC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852683700 704099741 /nfs/dbraw/zinc/09/97/41/704099741.db2.gz PXBAEQXNPYHCBY-UHFFFAOYSA-N 1 1 323.324 1.785 20 5 DDBDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000870789976 704132874 /nfs/dbraw/zinc/13/28/74/704132874.db2.gz LFZVPOHFWALDKJ-NWDGAFQWSA-N 1 1 310.354 1.597 20 5 DDBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501843 704251856 /nfs/dbraw/zinc/25/18/56/704251856.db2.gz LOFQJDJTPMISRR-GFCCVEGCSA-N 1 1 317.349 1.779 20 5 DDBDMO Cc1nn(C[N@@H+]2CCC3(COC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853598563 704282219 /nfs/dbraw/zinc/28/22/19/704282219.db2.gz VADZSJLEZLOWLF-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO Cc1nn(C[N@H+]2CCC3(COC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000853598563 704282222 /nfs/dbraw/zinc/28/22/22/704282222.db2.gz VADZSJLEZLOWLF-UHFFFAOYSA-N 1 1 303.322 1.328 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000853708751 704303042 /nfs/dbraw/zinc/30/30/42/704303042.db2.gz UGPYEKCQBJPBID-PHIMTYICSA-N 1 1 309.370 1.117 20 5 DDBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000854643235 704431974 /nfs/dbraw/zinc/43/19/74/704431974.db2.gz SEOIQYUICYJEOH-QWHCGFSZSA-N 1 1 313.398 1.144 20 5 DDBDMO COC(=O)CC[C@H]([NH3+])c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000822647671 704995769 /nfs/dbraw/zinc/99/57/69/704995769.db2.gz SRTSSVCOTZWANW-JTQLQIEISA-N 1 1 320.305 1.522 20 5 DDBDMO O=C1OC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]12 ZINC000860165552 705121057 /nfs/dbraw/zinc/12/10/57/705121057.db2.gz ACIYFYXVXMSSBS-MWLCHTKSSA-N 1 1 307.262 1.108 20 5 DDBDMO O=C1OC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]12 ZINC000860165552 705121060 /nfs/dbraw/zinc/12/10/60/705121060.db2.gz ACIYFYXVXMSSBS-MWLCHTKSSA-N 1 1 307.262 1.108 20 5 DDBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823968264 705346933 /nfs/dbraw/zinc/34/69/33/705346933.db2.gz NHIWTVYXONFKSY-AWEZNQCLSA-N 1 1 321.381 1.981 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000861345108 705436818 /nfs/dbraw/zinc/43/68/18/705436818.db2.gz YWBYYBNHHFWONT-IINYFYTJSA-N 1 1 311.338 1.199 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825777200 705730028 /nfs/dbraw/zinc/73/00/28/705730028.db2.gz RFSZPCQOXBVXDG-SMDDNHRTSA-N 1 1 307.350 1.086 20 5 DDBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000877835758 706227225 /nfs/dbraw/zinc/22/72/25/706227225.db2.gz WTWVTRIQRFQZJO-GFCCVEGCSA-N 1 1 322.361 1.959 20 5 DDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000865057863 706338114 /nfs/dbraw/zinc/33/81/14/706338114.db2.gz FXDTVXVYTQFIDS-WDEREUQCSA-N 1 1 323.324 1.327 20 5 DDBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000880425589 706970408 /nfs/dbraw/zinc/97/04/08/706970408.db2.gz GHGPZRGPWFLYBM-IUODEOHRSA-N 1 1 310.350 1.709 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880436986 706976341 /nfs/dbraw/zinc/97/63/41/706976341.db2.gz DWCBGRPFGQCERA-ZFWWWQNUSA-N 1 1 310.350 1.839 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000872271347 707358157 /nfs/dbraw/zinc/35/81/57/707358157.db2.gz NSPFZMJJCOXLJG-QWHCGFSZSA-N 1 1 316.304 1.984 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000872271347 707358161 /nfs/dbraw/zinc/35/81/61/707358161.db2.gz NSPFZMJJCOXLJG-QWHCGFSZSA-N 1 1 316.304 1.984 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000882492289 707663892 /nfs/dbraw/zinc/66/38/92/707663892.db2.gz PETMYVCDQZIWBC-SNVBAGLBSA-N 1 1 324.356 1.624 20 5 DDBDMO CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C)CC1 ZINC000897096858 708229455 /nfs/dbraw/zinc/22/94/55/708229455.db2.gz HKCMGWHIVIOHSX-UHFFFAOYSA-N 1 1 314.336 1.557 20 5 DDBDMO CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C)CC1 ZINC000897096858 708229456 /nfs/dbraw/zinc/22/94/56/708229456.db2.gz HKCMGWHIVIOHSX-UHFFFAOYSA-N 1 1 314.336 1.557 20 5 DDBDMO Nc1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])c1 ZINC000897219937 708257709 /nfs/dbraw/zinc/25/77/09/708257709.db2.gz QIXSAFORLSYVGA-STQMWFEESA-N 1 1 306.366 1.212 20 5 DDBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285198 708735713 /nfs/dbraw/zinc/73/57/13/708735713.db2.gz AYSRTBVUXHMETD-LBPRGKRZSA-N 1 1 304.350 1.434 20 5 DDBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886285198 708735715 /nfs/dbraw/zinc/73/57/15/708735715.db2.gz AYSRTBVUXHMETD-LBPRGKRZSA-N 1 1 304.350 1.434 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)cc1 ZINC000886631261 708799139 /nfs/dbraw/zinc/79/91/39/708799139.db2.gz IITUCMKALCKUFG-BZUAXINKSA-N 1 1 306.362 1.865 20 5 DDBDMO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000900099693 709288745 /nfs/dbraw/zinc/28/87/45/709288745.db2.gz TUUCTOQLYRSREQ-CQSZACIVSA-N 1 1 317.345 1.205 20 5 DDBDMO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928249664 713157392 /nfs/dbraw/zinc/15/73/92/713157392.db2.gz URTNCHNZWJOFDW-GFCCVEGCSA-N 1 1 306.366 1.019 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000891741799 710280470 /nfs/dbraw/zinc/28/04/70/710280470.db2.gz UICQHVBPOZOTMI-LBPRGKRZSA-N 1 1 309.370 1.019 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000892418663 710434342 /nfs/dbraw/zinc/43/43/42/710434342.db2.gz RZWLIUXWTUALKB-OCCSQVGLSA-N 1 1 304.350 1.440 20 5 DDBDMO C[C@H]1C[N@@H+](CCCOC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000893391568 710632406 /nfs/dbraw/zinc/63/24/06/710632406.db2.gz MPISPAWPGVOKNK-LBPRGKRZSA-N 1 1 308.334 1.862 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000893418027 710644451 /nfs/dbraw/zinc/64/44/51/710644451.db2.gz NZBVVBPIHICVAZ-QWRGUYRKSA-N 1 1 310.350 1.902 20 5 DDBDMO C[C@@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC[N@H+]1C ZINC000928444785 713198754 /nfs/dbraw/zinc/19/87/54/713198754.db2.gz MLGGHNJTRINTNB-KOLCDFICSA-N 1 1 302.334 1.899 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC[N@H+]1C ZINC000928447854 713201157 /nfs/dbraw/zinc/20/11/57/713201157.db2.gz AHXPGXYLZZGPRL-NOZJJQNGSA-N 1 1 302.334 1.899 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739896 711262779 /nfs/dbraw/zinc/26/27/79/711262779.db2.gz AXMSJKFAXPKWHH-ZIAGYGMSSA-N 1 1 319.409 1.866 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894996609 711356725 /nfs/dbraw/zinc/35/67/25/711356725.db2.gz NLEWNSVRSLEUSB-SNVBAGLBSA-N 1 1 316.317 1.923 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000913538590 713249352 /nfs/dbraw/zinc/24/93/52/713249352.db2.gz FBZXNMBONSOCOM-GFUWMAFRSA-N 1 1 301.346 1.913 20 5 DDBDMO C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1C ZINC000895737461 711590900 /nfs/dbraw/zinc/59/09/00/711590900.db2.gz VRHXZQUCZAELLD-VHSXEESVSA-N 1 1 319.365 1.290 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[C@@H]4COC[C@@H]4O3)c2c1 ZINC000896087877 711674394 /nfs/dbraw/zinc/67/43/94/711674394.db2.gz IIRKASJHXJEHCM-SIVJFFJCSA-N 1 1 315.329 1.781 20 5 DDBDMO Cc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568489 711754439 /nfs/dbraw/zinc/75/44/39/711754439.db2.gz NLSJDHOVGYFGJI-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C[NH3+] ZINC000904410715 711854435 /nfs/dbraw/zinc/85/44/35/711854435.db2.gz FYBCPMLRQTXRGB-NEPJUHHUSA-N 1 1 321.377 1.783 20 5 DDBDMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000916966611 713476250 /nfs/dbraw/zinc/47/62/50/713476250.db2.gz DYZWAJKJIDHHNC-UHFFFAOYSA-N 1 1 304.350 1.239 20 5 DDBDMO Cc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000917006957 713477789 /nfs/dbraw/zinc/47/77/89/713477789.db2.gz ZPCCDZVYMGJXMX-UHFFFAOYSA-N 1 1 306.366 1.113 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918395545 713541517 /nfs/dbraw/zinc/54/15/17/713541517.db2.gz PUHJOSZXAQVVJL-GFCCVEGCSA-N 1 1 317.349 1.155 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000933440022 714589807 /nfs/dbraw/zinc/58/98/07/714589807.db2.gz XDMBIQLHULEGAH-YPMHNXCESA-N 1 1 323.397 1.288 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933900312 714696855 /nfs/dbraw/zinc/69/68/55/714696855.db2.gz JIUMPIXXMAFMMM-KGLIPLIRSA-N 1 1 308.334 1.466 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000933900312 714696856 /nfs/dbraw/zinc/69/68/56/714696856.db2.gz JIUMPIXXMAFMMM-KGLIPLIRSA-N 1 1 308.334 1.466 20 5 DDBDMO C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924989615 714717868 /nfs/dbraw/zinc/71/78/68/714717868.db2.gz SSJCOIXUVJNSLS-RKDXNWHRSA-N 1 1 313.741 1.043 20 5 DDBDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000934117982 714746010 /nfs/dbraw/zinc/74/60/10/714746010.db2.gz QWTYMKBEIMBFFC-MBNYWOFBSA-N 1 1 310.350 1.444 20 5 DDBDMO O=C1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCCCCN1 ZINC000934161089 714757845 /nfs/dbraw/zinc/75/78/45/714757845.db2.gz MWNPTHAUVQLVSQ-UHFFFAOYSA-N 1 1 321.377 1.966 20 5 DDBDMO Cc1c(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cccc1[N+](=O)[O-] ZINC000934257981 714777791 /nfs/dbraw/zinc/77/77/91/714777791.db2.gz KSAIBTGNYBTRMG-SJORKVTESA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257981 714777792 /nfs/dbraw/zinc/77/77/92/714777792.db2.gz KSAIBTGNYBTRMG-SJORKVTESA-N 1 1 319.405 1.934 20 5 DDBDMO Cc1c(C[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)cccc1[N+](=O)[O-] ZINC000934257981 714777793 /nfs/dbraw/zinc/77/77/93/714777793.db2.gz KSAIBTGNYBTRMG-SJORKVTESA-N 1 1 319.405 1.934 20 5 DDBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925427317 714853223 /nfs/dbraw/zinc/85/32/23/714853223.db2.gz ZXYAVHYVZNODNI-CQSZACIVSA-N 1 1 306.366 1.483 20 5 DDBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580208 714857883 /nfs/dbraw/zinc/85/78/83/714857883.db2.gz XDEASSXBUQIEQA-CHWSQXEVSA-N 1 1 311.313 1.328 20 5 DDBDMO O=C(CC[N@@H+]1CC[C@@H](O)[C@H](F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934580208 714857885 /nfs/dbraw/zinc/85/78/85/714857885.db2.gz XDEASSXBUQIEQA-CHWSQXEVSA-N 1 1 311.313 1.328 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC001164669128 719379356 /nfs/dbraw/zinc/37/93/56/719379356.db2.gz QBKCUQXSDZXWPF-UONOGXRCSA-N 1 1 315.333 1.057 20 5 DDBDMO C[NH+]1CCN(c2ncc(Nc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC001204414661 732309837 /nfs/dbraw/zinc/30/98/37/732309837.db2.gz BHEITMJFLHJBHG-UHFFFAOYSA-N 1 1 314.349 1.880 20 5 DDBDMO CC(C)=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087458 782351299 /nfs/dbraw/zinc/35/12/99/782351299.db2.gz JKLTTXNIVRNZFW-QAALLOGESA-N 1 1 307.394 1.635 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)c2nnc([C@H](C)[N+](=O)[O-])n2C)[C@@H](C)C1 ZINC001121389459 782487616 /nfs/dbraw/zinc/48/76/16/782487616.db2.gz SBVMYGZGDPWITD-SRVKXCTJSA-N 1 1 310.402 1.319 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775185 736852752 /nfs/dbraw/zinc/85/27/52/736852752.db2.gz BNMINZODVNFTMS-QMIVOQANSA-N 1 1 319.336 1.037 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775185 736852754 /nfs/dbraw/zinc/85/27/54/736852754.db2.gz BNMINZODVNFTMS-QMIVOQANSA-N 1 1 319.336 1.037 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775185 736852756 /nfs/dbraw/zinc/85/27/56/736852756.db2.gz BNMINZODVNFTMS-QMIVOQANSA-N 1 1 319.336 1.037 20 5 DDBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC001181838909 743361424 /nfs/dbraw/zinc/36/14/24/743361424.db2.gz IDGHKMDVQAPZES-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](O)[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001194723996 746449950 /nfs/dbraw/zinc/44/99/50/746449950.db2.gz PKXDHVRPLYZCIT-RYUDHWBXSA-N 1 1 307.350 1.122 20 5 DDBDMO C[N@H+](CCn1cnnc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001197457291 747179350 /nfs/dbraw/zinc/17/93/50/747179350.db2.gz BDIFWQQJMXHRAZ-UHFFFAOYSA-N 1 1 302.294 1.460 20 5 DDBDMO C[N@@H+](CCn1cnnc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001197457291 747179355 /nfs/dbraw/zinc/17/93/55/747179355.db2.gz BDIFWQQJMXHRAZ-UHFFFAOYSA-N 1 1 302.294 1.460 20 5 DDBDMO COC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197660532 747225499 /nfs/dbraw/zinc/22/54/99/747225499.db2.gz NSAYYRJGWARKMI-WCQYABFASA-N 1 1 309.322 1.059 20 5 DDBDMO COC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197660532 747225503 /nfs/dbraw/zinc/22/55/03/747225503.db2.gz NSAYYRJGWARKMI-WCQYABFASA-N 1 1 309.322 1.059 20 5 DDBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ncc[nH]1 ZINC001031658423 747330813 /nfs/dbraw/zinc/33/08/13/747330813.db2.gz GGDJSNOBZYILJF-UHFFFAOYSA-N 1 1 315.333 1.180 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007606 762175557 /nfs/dbraw/zinc/17/55/57/762175557.db2.gz OMIMZTMCAYEEAZ-ZDCRXTMVSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007606 762175559 /nfs/dbraw/zinc/17/55/59/762175559.db2.gz OMIMZTMCAYEEAZ-ZDCRXTMVSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001169030130 762186469 /nfs/dbraw/zinc/18/64/69/762186469.db2.gz WUHQBOWUUZHXRJ-LYYZXLFJSA-N 1 1 310.394 1.558 20 5 DDBDMO CC(C)(CC(N)=O)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001169134979 762251791 /nfs/dbraw/zinc/25/17/91/762251791.db2.gz BBKPFUGQSUXOEL-UHFFFAOYSA-N 1 1 319.321 1.388 20 5 DDBDMO C[N@@H+]1CCc2c(NC[C@@H](O)C(F)(F)F)ccc([N+](=O)[O-])c2C1 ZINC001169459433 762448168 /nfs/dbraw/zinc/44/81/68/762448168.db2.gz RYNNRKDSBSFHPX-GFCCVEGCSA-N 1 1 319.283 1.918 20 5 DDBDMO C[N@H+]1CCc2c(NC[C@@H](O)C(F)(F)F)ccc([N+](=O)[O-])c2C1 ZINC001169459433 762448169 /nfs/dbraw/zinc/44/81/69/762448169.db2.gz RYNNRKDSBSFHPX-GFCCVEGCSA-N 1 1 319.283 1.918 20 5 DDBDMO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139304 760613050 /nfs/dbraw/zinc/61/30/50/760613050.db2.gz WZBUBEGWAVKNPO-KLHDSHLOSA-N 1 1 317.389 1.651 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001050520311 763699736 /nfs/dbraw/zinc/69/97/36/763699736.db2.gz OQUVMQFTRBEJCU-QBEVBOACSA-N 1 1 313.785 1.329 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094514428 775969741 /nfs/dbraw/zinc/96/97/41/775969741.db2.gz HREWFAWIDFAUPS-UHFFFAOYSA-N 1 1 323.397 1.640 20 5 DDBDMO COC(=O)[C@@H](CN)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901363 776915685 /nfs/dbraw/zinc/91/56/85/776915685.db2.gz MLFIQNNPCBLZCV-KBPBESRZSA-N 1 1 321.377 1.180 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2[nH+]cccc2N)CC1 ZINC001154782184 861448230 /nfs/dbraw/zinc/44/82/30/861448230.db2.gz HMAXJKKYGKUVQK-UHFFFAOYSA-N 1 1 314.349 1.602 20 5 DDBDMO Cc1ccncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001326821587 861632170 /nfs/dbraw/zinc/63/21/70/861632170.db2.gz GQPZVNPSQCYDMD-ZIAGYGMSSA-N 1 1 318.377 1.184 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141946888 860979105 /nfs/dbraw/zinc/97/91/05/860979105.db2.gz GHWLIOBFRHWRCC-VIFPVBQESA-N 1 1 318.337 1.143 20 5 DDBDMO Cc1cccc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761656 864111221 /nfs/dbraw/zinc/11/12/21/864111221.db2.gz WIINNDHQAIKZMP-UKRRQHHQSA-N 1 1 305.378 1.565 20 5 DDBDMO C[N@@H+](C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158725827 864857096 /nfs/dbraw/zinc/85/70/96/864857096.db2.gz NSDUFRXZJPCZIO-VIFPVBQESA-N 1 1 312.757 1.553 20 5 DDBDMO CO[C@@H]1CC[N@H+](CCOc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225434892 881832593 /nfs/dbraw/zinc/83/25/93/881832593.db2.gz OOSFYNQHSXLUCS-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225434892 881832609 /nfs/dbraw/zinc/83/26/09/881832609.db2.gz OOSFYNQHSXLUCS-SECBINFHSA-N 1 1 301.730 1.743 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+]2C)n1 ZINC001160969371 866232176 /nfs/dbraw/zinc/23/21/76/866232176.db2.gz WJGIHQROOSZJBC-SNVBAGLBSA-N 1 1 308.338 1.673 20 5 DDBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001321133453 867341974 /nfs/dbraw/zinc/34/19/74/867341974.db2.gz MCCOIPOYWSTCRK-ZDUSSCGKSA-N 1 1 321.425 1.406 20 5 DDBDMO COC(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001335182476 868116873 /nfs/dbraw/zinc/11/68/73/868116873.db2.gz IMYZLPHGOKPDSV-CQSZACIVSA-N 1 1 323.349 1.402 20 5 DDBDMO COC(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001335182476 868116884 /nfs/dbraw/zinc/11/68/84/868116884.db2.gz IMYZLPHGOKPDSV-CQSZACIVSA-N 1 1 323.349 1.402 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N2CCn3cnnc3C2)ncc1[N+](=O)[O-] ZINC001163679203 868623394 /nfs/dbraw/zinc/62/33/94/868623394.db2.gz KVQLAVBDJONKQS-ONEGZZNKSA-N 1 1 315.337 1.134 20 5 DDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC)CC1 ZINC001163773554 868693759 /nfs/dbraw/zinc/69/37/59/868693759.db2.gz FEKCUXDYJLTVBP-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO Cc1cnc(NCC2(N(C)C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001164213253 869022276 /nfs/dbraw/zinc/02/22/76/869022276.db2.gz QXKGRGMERLCODD-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490437 869229690 /nfs/dbraw/zinc/22/96/90/869229690.db2.gz JPVPPLWHIBGBMK-HUUCEWRRSA-N 1 1 317.389 1.728 20 5 DDBDMO Cc1[nH+]cc2n1CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])C2 ZINC001165384086 869557000 /nfs/dbraw/zinc/55/70/00/869557000.db2.gz CYQYSAULNJZMKU-UHFFFAOYSA-N 1 1 308.729 1.872 20 5 DDBDMO Cc1c(CNC(=O)[C@@H]2[NH2+]CCc3occc32)cccc1[N+](=O)[O-] ZINC001340236937 870974917 /nfs/dbraw/zinc/97/49/17/870974917.db2.gz OLHYSWKVKNHGRX-OAHLLOKOSA-N 1 1 315.329 1.999 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001310518887 871638804 /nfs/dbraw/zinc/63/88/04/871638804.db2.gz LLCLDSTWQLNPBN-LLVKDONJSA-N 1 1 309.370 1.572 20 5 DDBDMO C[NH+]1CCN(CCCO[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001206581156 872449085 /nfs/dbraw/zinc/44/90/85/872449085.db2.gz BGVPYZZLPJOQLZ-QGZVFWFLSA-N 1 1 319.405 1.716 20 5 DDBDMO [NH3+][C@H](Cc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCOC2)o1 ZINC001217714157 877285576 /nfs/dbraw/zinc/28/55/76/877285576.db2.gz CURVNAFXYTUTLU-ZYHUDNBSSA-N 1 1 304.306 1.724 20 5 DDBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cnccc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001228882864 883712407 /nfs/dbraw/zinc/71/24/07/883712407.db2.gz QYKDPVXUGPEZAB-CDGCEXEKSA-N 1 1 321.333 1.535 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233715614 887250112 /nfs/dbraw/zinc/25/01/12/887250112.db2.gz IBDOOHNONOKSTF-SNVBAGLBSA-N 1 1 301.730 1.743 20 5 DDBDMO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 ZINC001254476629 896455674 /nfs/dbraw/zinc/45/56/74/896455674.db2.gz URQARVSSBXTOAY-LBPRGKRZSA-N 1 1 318.377 1.384 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 ZINC001254476629 896455679 /nfs/dbraw/zinc/45/56/79/896455679.db2.gz URQARVSSBXTOAY-LBPRGKRZSA-N 1 1 318.377 1.384 20 5 DDBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCO1 ZINC001254610912 896531515 /nfs/dbraw/zinc/53/15/15/896531515.db2.gz MTWOTTIBRBDBGM-CABCVRRESA-N 1 1 320.345 1.326 20 5 DDBDMO O=[N+]([O-])CCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255363595 896864986 /nfs/dbraw/zinc/86/49/86/896864986.db2.gz GIJGQTPZOOSWTO-CYBMUJFWSA-N 1 1 302.334 1.878 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248880788 282114571 /nfs/dbraw/zinc/11/45/71/282114571.db2.gz DCRGXLTXMQCLSY-IAQYHMDHSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000305762031 231043892 /nfs/dbraw/zinc/04/38/92/231043892.db2.gz MLEXKCSERCMKIA-IFUGULHKSA-N 1 1 321.377 1.933 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000305762031 231043896 /nfs/dbraw/zinc/04/38/96/231043896.db2.gz MLEXKCSERCMKIA-IFUGULHKSA-N 1 1 321.377 1.933 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614663076 361970801 /nfs/dbraw/zinc/97/08/01/361970801.db2.gz VRGZQSWUKOJGIO-OAHLLOKOSA-N 1 1 308.334 1.713 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451429759 231092367 /nfs/dbraw/zinc/09/23/67/231092367.db2.gz MBKDLQLZHJNEJX-ZDUSSCGKSA-N 1 1 302.277 1.676 20 5 DDBDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000451578522 231129686 /nfs/dbraw/zinc/12/96/86/231129686.db2.gz XKIGOQXZHCKPGW-YGRLFVJLSA-N 1 1 307.350 1.551 20 5 DDBDMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000278848615 214443078 /nfs/dbraw/zinc/44/30/78/214443078.db2.gz KADHYUKDDVXJSW-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000278848615 214443080 /nfs/dbraw/zinc/44/30/80/214443080.db2.gz KADHYUKDDVXJSW-AWEZNQCLSA-N 1 1 309.753 1.960 20 5 DDBDMO COC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452028475 231274116 /nfs/dbraw/zinc/27/41/16/231274116.db2.gz HFXUIFUSYPTRKX-LSDHHAIUSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451250277 529480958 /nfs/dbraw/zinc/48/09/58/529480958.db2.gz DEJJOPRJGSIONL-IUODEOHRSA-N 1 1 321.377 1.650 20 5 DDBDMO CC[C@@H](CO)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000295812143 529504514 /nfs/dbraw/zinc/50/45/14/529504514.db2.gz WZVIFAQIMGZSAK-NSHDSACASA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000295812143 529504515 /nfs/dbraw/zinc/50/45/15/529504515.db2.gz WZVIFAQIMGZSAK-NSHDSACASA-N 1 1 306.322 1.848 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000495250806 529573928 /nfs/dbraw/zinc/57/39/28/529573928.db2.gz JKFUQLFBXJVLEQ-UKRRQHHQSA-N 1 1 310.350 1.181 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090525103 185300430 /nfs/dbraw/zinc/30/04/30/185300430.db2.gz PQIDZLJHTAFJDT-LLVKDONJSA-N 1 1 323.349 1.030 20 5 DDBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000305759264 529925989 /nfs/dbraw/zinc/92/59/89/529925989.db2.gz CQEHQXCNQIVBGF-LLVKDONJSA-N 1 1 308.256 1.829 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC000305759264 529925990 /nfs/dbraw/zinc/92/59/90/529925990.db2.gz CQEHQXCNQIVBGF-LLVKDONJSA-N 1 1 308.256 1.829 20 5 DDBDMO O=C(NCC[NH+]1CCSCC1)Nc1ccncc1[N+](=O)[O-] ZINC000272756704 210161193 /nfs/dbraw/zinc/16/11/93/210161193.db2.gz USZRRONMWVXIMU-UHFFFAOYSA-N 1 1 311.367 1.160 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCOC1 ZINC000106883023 185459739 /nfs/dbraw/zinc/45/97/39/185459739.db2.gz JIUKTYOCSZXPSV-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330909833 232155162 /nfs/dbraw/zinc/15/51/62/232155162.db2.gz PCAOEXHMXVKKFG-ZYHUDNBSSA-N 1 1 309.370 1.089 20 5 DDBDMO CCOC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159727149 186137732 /nfs/dbraw/zinc/13/77/32/186137732.db2.gz BXUNKWVGOFFKIR-UHFFFAOYSA-N 1 1 323.349 1.032 20 5 DDBDMO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000266850566 186359520 /nfs/dbraw/zinc/35/95/20/186359520.db2.gz RFQKWIGISGMCSF-LLVKDONJSA-N 1 1 307.354 1.050 20 5 DDBDMO CC(C)NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026259521 352207332 /nfs/dbraw/zinc/20/73/32/352207332.db2.gz VOWPGCZHMJQECU-UHFFFAOYSA-N 1 1 322.365 1.380 20 5 DDBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000046601863 352456854 /nfs/dbraw/zinc/45/68/54/352456854.db2.gz XOUDVKPBTWTZTL-UHFFFAOYSA-N 1 1 318.377 1.338 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC000047648873 352506484 /nfs/dbraw/zinc/50/64/84/352506484.db2.gz BBCYMJUKADYPRY-CYBMUJFWSA-N 1 1 318.333 1.803 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064334127 352933894 /nfs/dbraw/zinc/93/38/94/352933894.db2.gz OPIPQXOXQITNGV-LSDHHAIUSA-N 1 1 319.361 1.117 20 5 DDBDMO Cc1[nH+]ccn1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065875055 352966849 /nfs/dbraw/zinc/96/68/49/352966849.db2.gz SZYPRBCLEMJIIW-UHFFFAOYSA-N 1 1 317.349 1.718 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccncc1[N+](=O)[O-] ZINC000066812062 353017492 /nfs/dbraw/zinc/01/74/92/353017492.db2.gz SCNGHNNSLNDCBZ-ZDUSSCGKSA-N 1 1 321.381 1.344 20 5 DDBDMO C[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173390533 198209135 /nfs/dbraw/zinc/20/91/35/198209135.db2.gz NLXSAWLBIPJLLC-KBPBESRZSA-N 1 1 306.410 1.881 20 5 DDBDMO C[N@@H+](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000068898328 353135419 /nfs/dbraw/zinc/13/54/19/353135419.db2.gz OAGVKLUURDLNHY-UHFFFAOYSA-N 1 1 323.397 1.562 20 5 DDBDMO CCNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246708 198310323 /nfs/dbraw/zinc/31/03/23/198310323.db2.gz PRYAMTLGGZHINN-UHFFFAOYSA-N 1 1 307.350 1.574 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000174351764 198323545 /nfs/dbraw/zinc/32/35/45/198323545.db2.gz ZZXFMGHAUDDOJS-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1cccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000174351764 198323547 /nfs/dbraw/zinc/32/35/47/198323547.db2.gz ZZXFMGHAUDDOJS-CHWSQXEVSA-N 1 1 321.377 1.430 20 5 DDBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[N+](=O)[O-] ZINC000176206041 198558429 /nfs/dbraw/zinc/55/84/29/198558429.db2.gz NJMDKCPZLYVNTM-UHFFFAOYSA-N 1 1 305.294 1.832 20 5 DDBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[N+](=O)[O-] ZINC000176206041 198558431 /nfs/dbraw/zinc/55/84/31/198558431.db2.gz NJMDKCPZLYVNTM-UHFFFAOYSA-N 1 1 305.294 1.832 20 5 DDBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000114458289 353980581 /nfs/dbraw/zinc/98/05/81/353980581.db2.gz JVLHNXPPPPEDBF-UHFFFAOYSA-N 1 1 322.365 1.014 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000157690044 354227181 /nfs/dbraw/zinc/22/71/81/354227181.db2.gz XJFLPXCFSXWLHF-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000157690044 354227185 /nfs/dbraw/zinc/22/71/85/354227185.db2.gz XJFLPXCFSXWLHF-BXUZGUMPSA-N 1 1 307.350 1.352 20 5 DDBDMO C[C@]1(C(N)=O)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280738393 354423258 /nfs/dbraw/zinc/42/32/58/354423258.db2.gz LZYSRDOEPPJAEB-HNNXBMFYSA-N 1 1 307.350 1.561 20 5 DDBDMO COCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293040633 354453140 /nfs/dbraw/zinc/45/31/40/354453140.db2.gz GZWFRCSHRSPTJT-ZDUSSCGKSA-N 1 1 321.377 1.778 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346204775 283025265 /nfs/dbraw/zinc/02/52/65/283025265.db2.gz MNZHPCXYMHGJAY-PHIMTYICSA-N 1 1 323.397 1.873 20 5 DDBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587979632 354888944 /nfs/dbraw/zinc/88/89/44/354888944.db2.gz WYNRRSIHCGUGMJ-LLVKDONJSA-N 1 1 308.382 1.447 20 5 DDBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861860 354944245 /nfs/dbraw/zinc/94/42/45/354944245.db2.gz VSYGJQZVQCHZQS-RYUDHWBXSA-N 1 1 323.324 1.015 20 5 DDBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590402430 355085783 /nfs/dbraw/zinc/08/57/83/355085783.db2.gz UDGVNVRIDJSCJA-CABCVRRESA-N 1 1 319.361 1.530 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592196499 355532572 /nfs/dbraw/zinc/53/25/72/355532572.db2.gz CBXZXDGZKCIPFD-CHWSQXEVSA-N 1 1 308.334 1.259 20 5 DDBDMO CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489679 355597884 /nfs/dbraw/zinc/59/78/84/355597884.db2.gz ZMKOUBPUZMGZFT-STQMWFEESA-N 1 1 320.393 1.983 20 5 DDBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593070266 355786460 /nfs/dbraw/zinc/78/64/60/355786460.db2.gz VYTWCBRCFGPTNF-HUUCEWRRSA-N 1 1 324.377 1.835 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593339444 355857834 /nfs/dbraw/zinc/85/78/34/355857834.db2.gz OFOOYMUUGDRDFV-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593339444 355857838 /nfs/dbraw/zinc/85/78/38/355857838.db2.gz OFOOYMUUGDRDFV-UHFFFAOYSA-N 1 1 321.377 1.778 20 5 DDBDMO C[C@@H](c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594021971 356091650 /nfs/dbraw/zinc/09/16/50/356091650.db2.gz CGAOEKDXFJBEMN-LBPRGKRZSA-N 1 1 316.365 1.607 20 5 DDBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603896 356262515 /nfs/dbraw/zinc/26/25/15/356262515.db2.gz OMJKGCAXIADPTP-QWHCGFSZSA-N 1 1 314.345 1.398 20 5 DDBDMO Cc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601338520 358505582 /nfs/dbraw/zinc/50/55/82/358505582.db2.gz XWMTZKYDPKKUIO-HTQZYQBOSA-N 1 1 319.408 1.336 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000595447611 356496515 /nfs/dbraw/zinc/49/65/15/356496515.db2.gz OIBVAXJFTXVUDW-CYBMUJFWSA-N 1 1 306.366 1.878 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760089 356640883 /nfs/dbraw/zinc/64/08/83/356640883.db2.gz SAAVOGBZDSXQDV-IAQYHMDHSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@@]12COC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595760089 356640889 /nfs/dbraw/zinc/64/08/89/356640889.db2.gz SAAVOGBZDSXQDV-IAQYHMDHSA-N 1 1 305.334 1.502 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835871 356671136 /nfs/dbraw/zinc/67/11/36/356671136.db2.gz WKBHXUJLEKVTOH-FRRDWIJNSA-N 1 1 319.361 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595835871 356671138 /nfs/dbraw/zinc/67/11/38/356671138.db2.gz WKBHXUJLEKVTOH-FRRDWIJNSA-N 1 1 319.361 1.890 20 5 DDBDMO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000596188321 356806182 /nfs/dbraw/zinc/80/61/82/356806182.db2.gz WMQDJBMRRGODBO-HNNXBMFYSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1[nH+]cc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597145894 357072001 /nfs/dbraw/zinc/07/20/01/357072001.db2.gz KBXOATXJGAWZAX-UHFFFAOYSA-N 1 1 302.334 1.900 20 5 DDBDMO Cn1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000597574944 357233828 /nfs/dbraw/zinc/23/38/28/357233828.db2.gz JEJUEPKJRNKHDZ-GHMZBOCLSA-N 1 1 310.329 1.192 20 5 DDBDMO Cn1c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000597714733 357298692 /nfs/dbraw/zinc/29/86/92/357298692.db2.gz ISDRSLTUWYUEKA-HNNXBMFYSA-N 1 1 306.366 1.491 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000178414393 198863717 /nfs/dbraw/zinc/86/37/17/198863717.db2.gz BDFRCQVDHFTHIR-UHFFFAOYSA-N 1 1 323.305 1.842 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597854616 357359390 /nfs/dbraw/zinc/35/93/90/357359390.db2.gz KCBVINOYRCLKGM-GFCCVEGCSA-N 1 1 323.397 1.418 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000598341623 357543891 /nfs/dbraw/zinc/54/38/91/357543891.db2.gz DWFRANBJCXIICE-LLVKDONJSA-N 1 1 307.350 1.818 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598599466 357648584 /nfs/dbraw/zinc/64/85/84/357648584.db2.gz OIWMFSGPDNZREM-ZJUUUORDSA-N 1 1 308.338 1.671 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000598746060 357714158 /nfs/dbraw/zinc/71/41/58/357714158.db2.gz QKGAXGWTDAUWJX-VIFPVBQESA-N 1 1 308.338 1.298 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@@H+]1CC[C@H](O)C1 ZINC000599017795 357795412 /nfs/dbraw/zinc/79/54/12/357795412.db2.gz BXZMAWXQLYMNFF-AWEZNQCLSA-N 1 1 309.366 1.150 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@H+]1CC[C@H](O)C1 ZINC000599017795 357795415 /nfs/dbraw/zinc/79/54/15/357795415.db2.gz BXZMAWXQLYMNFF-AWEZNQCLSA-N 1 1 309.366 1.150 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599083237 357809694 /nfs/dbraw/zinc/80/96/94/357809694.db2.gz WGOHSFDZLSHTNB-BYCMXARLSA-N 1 1 316.361 1.778 20 5 DDBDMO C[N@@H+]1CCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598993993 357786992 /nfs/dbraw/zinc/78/69/92/357786992.db2.gz VJGYUBPFDLAEPN-GFCCVEGCSA-N 1 1 307.350 1.550 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598993993 357786996 /nfs/dbraw/zinc/78/69/96/357786996.db2.gz VJGYUBPFDLAEPN-GFCCVEGCSA-N 1 1 307.350 1.550 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600228807 358163717 /nfs/dbraw/zinc/16/37/17/358163717.db2.gz FQVFCKDQQLXMGG-LLVKDONJSA-N 1 1 307.354 1.455 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000600310434 358192373 /nfs/dbraw/zinc/19/23/73/358192373.db2.gz IWUVVGVINWMTPT-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860924 199220011 /nfs/dbraw/zinc/22/00/11/199220011.db2.gz RFYHUUHNTCHBKA-MNOVXSKESA-N 1 1 310.350 1.815 20 5 DDBDMO CCC[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601099927 358402212 /nfs/dbraw/zinc/40/22/12/358402212.db2.gz IDKXFYSBIRXWIM-UHFFFAOYSA-N 1 1 321.303 1.879 20 5 DDBDMO C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H](CO)O1 ZINC000601153502 358424107 /nfs/dbraw/zinc/42/41/07/358424107.db2.gz PKDHRIZRXRFWSB-PWSUYJOCSA-N 1 1 303.318 1.729 20 5 DDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)[N@H+]1C ZINC000601168981 358430903 /nfs/dbraw/zinc/43/09/03/358430903.db2.gz HLQXHYPFFQSQHI-OCAPTIKFSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)[N@@H+]1C ZINC000601168981 358430906 /nfs/dbraw/zinc/43/09/06/358430906.db2.gz HLQXHYPFFQSQHI-OCAPTIKFSA-N 1 1 321.303 1.876 20 5 DDBDMO Cn1cc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 ZINC000602442588 358979183 /nfs/dbraw/zinc/97/91/83/358979183.db2.gz ZNJCOQOJUNQXSC-AWEZNQCLSA-N 1 1 323.397 1.015 20 5 DDBDMO COCC[N@@H+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510126 359020322 /nfs/dbraw/zinc/02/03/22/359020322.db2.gz KHFUOSPURPCQBC-UHFFFAOYSA-N 1 1 322.365 1.794 20 5 DDBDMO COc1cccc2c1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602681687 359123315 /nfs/dbraw/zinc/12/33/15/359123315.db2.gz KONGXZZCVOGPQL-UHFFFAOYSA-N 1 1 302.334 1.895 20 5 DDBDMO COc1cccc2c1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602681687 359123322 /nfs/dbraw/zinc/12/33/22/359123322.db2.gz KONGXZZCVOGPQL-UHFFFAOYSA-N 1 1 302.334 1.895 20 5 DDBDMO Cn1cc(CN2CC[N@@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602836278 359226910 /nfs/dbraw/zinc/22/69/10/359226910.db2.gz MZDWCEHDYBEFRZ-UHFFFAOYSA-N 1 1 307.398 1.779 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000602832478 359223933 /nfs/dbraw/zinc/22/39/33/359223933.db2.gz NEGSTRTVKCJHQI-GFCCVEGCSA-N 1 1 307.398 1.516 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602959326 359323145 /nfs/dbraw/zinc/32/31/45/359323145.db2.gz SUJPMPJAUBQYMH-NEPJUHHUSA-N 1 1 321.381 1.667 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186823125 200016804 /nfs/dbraw/zinc/01/68/04/200016804.db2.gz CQJOBKLCANJOJP-DOMZBBRYSA-N 1 1 321.377 1.935 20 5 DDBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000186993951 200044474 /nfs/dbraw/zinc/04/44/74/200044474.db2.gz GNLNETURNVEVAV-UHFFFAOYSA-N 1 1 323.321 1.030 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189406218 200395731 /nfs/dbraw/zinc/39/57/31/200395731.db2.gz QIEIOELOTMEHPY-CYBMUJFWSA-N 1 1 307.394 1.872 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609333880 360294642 /nfs/dbraw/zinc/29/46/42/360294642.db2.gz BVZDSVWGTMOUIQ-AWEZNQCLSA-N 1 1 319.409 1.596 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292409445 223059957 /nfs/dbraw/zinc/05/99/57/223059957.db2.gz LYRKFBACEFYWAR-FPMFFAJLSA-N 1 1 310.350 1.180 20 5 DDBDMO COc1ccc(OCC[N@@H+](CCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000610369671 360423106 /nfs/dbraw/zinc/42/31/06/360423106.db2.gz UUPBLCYHZYQZTA-UHFFFAOYSA-N 1 1 310.350 1.829 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)CO1 ZINC000610369646 360423212 /nfs/dbraw/zinc/42/32/12/360423212.db2.gz MHDHDNZYMKIAKQ-LBPRGKRZSA-N 1 1 312.370 1.042 20 5 DDBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359028224 299311196 /nfs/dbraw/zinc/31/11/96/299311196.db2.gz PJPJJKMDNPUGDK-RYUDHWBXSA-N 1 1 305.338 1.160 20 5 DDBDMO C[C@H]1COCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610990901 360592337 /nfs/dbraw/zinc/59/23/37/360592337.db2.gz UFQGIZKERFOUGH-GXTWGEPZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000359029745 299311584 /nfs/dbraw/zinc/31/15/84/299311584.db2.gz SOWIHTXJBXYJCS-NEPJUHHUSA-N 1 1 321.381 1.796 20 5 DDBDMO CC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092122 360621653 /nfs/dbraw/zinc/62/16/53/360621653.db2.gz JFIFQSJQYSRZOS-OLZOCXBDSA-N 1 1 320.393 1.948 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528149 360749257 /nfs/dbraw/zinc/74/92/57/360749257.db2.gz HSKNWXBCPKTFMS-NSHDSACASA-N 1 1 322.365 1.018 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2cn[nH]c2C1 ZINC000612104155 360920426 /nfs/dbraw/zinc/92/04/26/360920426.db2.gz CAFQKZNNNVDNCK-LBPRGKRZSA-N 1 1 318.333 1.116 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000194162527 201188921 /nfs/dbraw/zinc/18/89/21/201188921.db2.gz SXEVHHWPLAGJQU-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000194162527 201188924 /nfs/dbraw/zinc/18/89/24/201188924.db2.gz SXEVHHWPLAGJQU-LBPRGKRZSA-N 1 1 319.361 1.914 20 5 DDBDMO COc1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000613869036 361610074 /nfs/dbraw/zinc/61/00/74/361610074.db2.gz UXXPHMKRORKBOM-CYBMUJFWSA-N 1 1 321.377 1.904 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252417 363945610 /nfs/dbraw/zinc/94/56/10/363945610.db2.gz KYKRSZAHBNJPOE-NXEZZACHSA-N 1 1 313.354 1.915 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253069 363946832 /nfs/dbraw/zinc/94/68/32/363946832.db2.gz QYEQFLJPDWXFFL-ZIAGYGMSSA-N 1 1 307.325 1.853 20 5 DDBDMO C[N@@H+](CCCCS(C)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000619785205 364150177 /nfs/dbraw/zinc/15/01/77/364150177.db2.gz XJTMBYYMWOZDHS-UHFFFAOYSA-N 1 1 314.407 1.894 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](O)CC1 ZINC000293013086 223352605 /nfs/dbraw/zinc/35/26/05/223352605.db2.gz DRZOVRRKJLIZAR-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](O)CC1 ZINC000293013086 223352608 /nfs/dbraw/zinc/35/26/08/223352608.db2.gz DRZOVRRKJLIZAR-RYUDHWBXSA-N 1 1 307.350 1.769 20 5 DDBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000349774436 284047816 /nfs/dbraw/zinc/04/78/16/284047816.db2.gz HXZPEWUNFFGMDS-VIFPVBQESA-N 1 1 321.424 1.663 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264659585 204060175 /nfs/dbraw/zinc/06/01/75/204060175.db2.gz HLHFJNMWUKSGQV-AWEZNQCLSA-N 1 1 321.377 1.964 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000264796170 204163217 /nfs/dbraw/zinc/16/32/17/204163217.db2.gz TZCOXTXMGVJDQQ-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271720222 209153941 /nfs/dbraw/zinc/15/39/41/209153941.db2.gz KUGFSCXXOAFTID-XQQFMLRXSA-N 1 1 321.377 1.881 20 5 DDBDMO COc1ccccc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266406670 205324506 /nfs/dbraw/zinc/32/45/06/205324506.db2.gz FXJNJFMBGAIFIZ-AWEZNQCLSA-N 1 1 320.349 1.293 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000104897062 194051160 /nfs/dbraw/zinc/05/11/60/194051160.db2.gz MJFPIJRNQITTNS-SNVBAGLBSA-N 1 1 306.366 1.698 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)CC1CC1 ZINC000352467916 285072666 /nfs/dbraw/zinc/07/26/66/285072666.db2.gz OIZXTMPPASIKES-UHFFFAOYSA-N 1 1 321.377 1.936 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3occc3C2)c1 ZINC000288708675 220360768 /nfs/dbraw/zinc/36/07/68/220360768.db2.gz FEPOSAINMNUIKU-ZDUSSCGKSA-N 1 1 306.322 1.194 20 5 DDBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOCC2CC2)CC1 ZINC000459510319 285165930 /nfs/dbraw/zinc/16/59/30/285165930.db2.gz NTQCDNAVNLZFOI-UHFFFAOYSA-N 1 1 306.366 1.538 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1O ZINC000352669324 285212380 /nfs/dbraw/zinc/21/23/80/285212380.db2.gz YUXSYXPHUOUBRE-UONOGXRCSA-N 1 1 307.350 1.769 20 5 DDBDMO O=c1nc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289571831 221076808 /nfs/dbraw/zinc/07/68/08/221076808.db2.gz YMHWMZQSQUHUHU-LBPRGKRZSA-N 1 1 317.349 1.428 20 5 DDBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000289755935 221203964 /nfs/dbraw/zinc/20/39/64/221203964.db2.gz IOAFVWCSOWNKSN-CYBMUJFWSA-N 1 1 314.345 1.979 20 5 DDBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000295036458 224394975 /nfs/dbraw/zinc/39/49/75/224394975.db2.gz MEHZAOOJSPLJON-OAHLLOKOSA-N 1 1 308.334 1.606 20 5 DDBDMO Cc1n[nH]c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299503938 533665611 /nfs/dbraw/zinc/66/56/11/533665611.db2.gz DPBYZWLSUSXWOT-SNVBAGLBSA-N 1 1 323.397 1.867 20 5 DDBDMO Cn1ccnc1[C@H]([NH2+]CC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353541172 285793115 /nfs/dbraw/zinc/79/31/15/285793115.db2.gz HGMBXELDGAIJMV-CQSZACIVSA-N 1 1 316.361 1.922 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C1CC1 ZINC000071956114 406870518 /nfs/dbraw/zinc/87/05/18/406870518.db2.gz OIFQOUBBMZUSMJ-UHFFFAOYSA-N 1 1 323.349 1.389 20 5 DDBDMO CC[N@@H+](CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(C)C ZINC000102495533 407323551 /nfs/dbraw/zinc/32/35/51/407323551.db2.gz OWQOUTXDOCHAAK-UHFFFAOYSA-N 1 1 311.386 1.373 20 5 DDBDMO CC[NH+](CC)[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068080096 407294510 /nfs/dbraw/zinc/29/45/10/407294510.db2.gz WXTYRLFGAHKYBI-JTQLQIEISA-N 1 1 319.365 1.931 20 5 DDBDMO C[C@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000123825928 407340381 /nfs/dbraw/zinc/34/03/81/407340381.db2.gz UYAAFNDLDZEDOK-GFCCVEGCSA-N 1 1 317.349 1.340 20 5 DDBDMO C[C@H](c1ccccc1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(N)=O ZINC000123825928 407340382 /nfs/dbraw/zinc/34/03/82/407340382.db2.gz UYAAFNDLDZEDOK-GFCCVEGCSA-N 1 1 317.349 1.340 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]3CO)n2)cc1 ZINC000112552751 407431749 /nfs/dbraw/zinc/43/17/49/407431749.db2.gz KNONQHCFXOBTEJ-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3CO)n2)cc1 ZINC000112552751 407431750 /nfs/dbraw/zinc/43/17/50/407431750.db2.gz KNONQHCFXOBTEJ-LBPRGKRZSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCOC1 ZINC000178756384 407587710 /nfs/dbraw/zinc/58/77/10/407587710.db2.gz XZCLADODYOWOBH-RYUDHWBXSA-N 1 1 307.350 1.890 20 5 DDBDMO CC[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266511437 407539758 /nfs/dbraw/zinc/53/97/58/407539758.db2.gz YIOXSEUTBXAFPN-OAHLLOKOSA-N 1 1 304.350 1.674 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000266715976 407611701 /nfs/dbraw/zinc/61/17/01/407611701.db2.gz FZJDZVBFMYRHMB-JQWIXIFHSA-N 1 1 309.366 1.933 20 5 DDBDMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000153771213 407897312 /nfs/dbraw/zinc/89/73/12/407897312.db2.gz BNUXUKCAWKBFNT-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000154472672 408041345 /nfs/dbraw/zinc/04/13/45/408041345.db2.gz JEOKPLFPPSFEHI-OAHLLOKOSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000154472672 408041346 /nfs/dbraw/zinc/04/13/46/408041346.db2.gz JEOKPLFPPSFEHI-OAHLLOKOSA-N 1 1 322.361 1.510 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000273084923 408049382 /nfs/dbraw/zinc/04/93/82/408049382.db2.gz YOOSLURCAYKTKK-IPYPFGDCSA-N 1 1 322.361 1.588 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000273084923 408049387 /nfs/dbraw/zinc/04/93/87/408049387.db2.gz YOOSLURCAYKTKK-IPYPFGDCSA-N 1 1 322.361 1.588 20 5 DDBDMO CC[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189660487 408071923 /nfs/dbraw/zinc/07/19/23/408071923.db2.gz BLJGYCRDLPDMAZ-XJKSGUPXSA-N 1 1 324.377 1.571 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246221498 408182263 /nfs/dbraw/zinc/18/22/63/408182263.db2.gz DPESEKAWIDKYPG-HIFRSBDPSA-N 1 1 308.334 1.513 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C)CC1 ZINC000122188596 408264051 /nfs/dbraw/zinc/26/40/51/408264051.db2.gz AZJOOHCUHIHNIH-UHFFFAOYSA-N 1 1 306.366 1.479 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328123 408271693 /nfs/dbraw/zinc/27/16/93/408271693.db2.gz DMSYRUHWKIRJJX-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328123 408271697 /nfs/dbraw/zinc/27/16/97/408271697.db2.gz DMSYRUHWKIRJJX-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000269328123 408271703 /nfs/dbraw/zinc/27/17/03/408271703.db2.gz DMSYRUHWKIRJJX-MNOVXSKESA-N 1 1 321.381 1.750 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269387585 408291817 /nfs/dbraw/zinc/29/18/17/408291817.db2.gz RFFIEGKJAIBYOY-UHFFFAOYSA-N 1 1 322.756 1.703 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246607396 408299975 /nfs/dbraw/zinc/29/99/75/408299975.db2.gz BYZPLROHNFPBLI-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246607396 408299980 /nfs/dbraw/zinc/29/99/80/408299980.db2.gz BYZPLROHNFPBLI-STQMWFEESA-N 1 1 321.377 1.051 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190862196 408334092 /nfs/dbraw/zinc/33/40/92/408334092.db2.gz ONVIWAJOJUSOJD-OLZOCXBDSA-N 1 1 321.377 1.792 20 5 DDBDMO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000191258742 408394007 /nfs/dbraw/zinc/39/40/07/408394007.db2.gz COLOPABOEDCHGX-RYUDHWBXSA-N 1 1 321.377 1.791 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289835 408444526 /nfs/dbraw/zinc/44/45/26/408444526.db2.gz GJQNSQADNRSFSJ-WDEREUQCSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289835 408444531 /nfs/dbraw/zinc/44/45/31/408444531.db2.gz GJQNSQADNRSFSJ-WDEREUQCSA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247289835 408444537 /nfs/dbraw/zinc/44/45/37/408444537.db2.gz GJQNSQADNRSFSJ-WDEREUQCSA-N 1 1 323.397 1.825 20 5 DDBDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410916 408479226 /nfs/dbraw/zinc/47/92/26/408479226.db2.gz JNOAHRHTJIKRKO-ZWNOBZJWSA-N 1 1 307.350 1.429 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C[N@H+]1C1CC1 ZINC000177121108 408524590 /nfs/dbraw/zinc/52/45/90/408524590.db2.gz UMKKDXRQWQXLLT-NXEZZACHSA-N 1 1 304.350 1.532 20 5 DDBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+]1C ZINC000176868357 408461680 /nfs/dbraw/zinc/46/16/80/408461680.db2.gz NKLJEFKFQBVKBO-GHMZBOCLSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000247392329 408462708 /nfs/dbraw/zinc/46/27/08/408462708.db2.gz XGBSDKIGFSONRA-AAEUAGOBSA-N 1 1 313.423 1.933 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000248465299 408574121 /nfs/dbraw/zinc/57/41/21/408574121.db2.gz RLDNYIMREMTOMM-RYUDHWBXSA-N 1 1 312.391 1.772 20 5 DDBDMO CN(C(=O)C[NH+]1CCC(C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177336402 408582040 /nfs/dbraw/zinc/58/20/40/408582040.db2.gz WSINULZPBJBACZ-UHFFFAOYSA-N 1 1 307.350 1.404 20 5 DDBDMO [NH3+][C@H]1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000160873998 408535418 /nfs/dbraw/zinc/53/54/18/408535418.db2.gz AOMQAEYXTOARRG-IUCAKERBSA-N 1 1 303.322 1.471 20 5 DDBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000161838063 408645468 /nfs/dbraw/zinc/64/54/68/408645468.db2.gz ISCBJTOVMQOBRM-UHFFFAOYSA-N 1 1 318.337 1.146 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000192820582 408654809 /nfs/dbraw/zinc/65/48/09/408654809.db2.gz HFDYUOJMAWLYAP-UONOGXRCSA-N 1 1 323.393 1.361 20 5 DDBDMO C[C@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000177970246 408747940 /nfs/dbraw/zinc/74/79/40/408747940.db2.gz YGFNBEAQBVAAJQ-AWEZNQCLSA-N 1 1 304.306 1.602 20 5 DDBDMO C[C@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000177970246 408747944 /nfs/dbraw/zinc/74/79/44/408747944.db2.gz YGFNBEAQBVAAJQ-AWEZNQCLSA-N 1 1 304.306 1.602 20 5 DDBDMO CC[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000193951695 408756533 /nfs/dbraw/zinc/75/65/33/408756533.db2.gz KDOQLMQUUSJBJM-UHFFFAOYSA-N 1 1 322.365 1.451 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000194363753 408778770 /nfs/dbraw/zinc/77/87/70/408778770.db2.gz RRXQJFBHQZREMB-ZIAGYGMSSA-N 1 1 324.377 1.571 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280795051 408835228 /nfs/dbraw/zinc/83/52/28/408835228.db2.gz RLWJNBRSEQYRJB-BMIGLBTASA-N 1 1 320.349 1.119 20 5 DDBDMO C[N@@H+](C[C@@H](O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000290802664 408835544 /nfs/dbraw/zinc/83/55/44/408835544.db2.gz QAMMDGPRACTLPS-CQSZACIVSA-N 1 1 316.361 1.913 20 5 DDBDMO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000291231177 408862913 /nfs/dbraw/zinc/86/29/13/408862913.db2.gz WVLJCLMTSRFAPJ-CHWSQXEVSA-N 1 1 306.366 1.598 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188786910 163068958 /nfs/dbraw/zinc/06/89/58/163068958.db2.gz KZBKVCKRRBGXIR-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188786910 163068960 /nfs/dbraw/zinc/06/89/60/163068960.db2.gz KZBKVCKRRBGXIR-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000281735319 408920027 /nfs/dbraw/zinc/92/00/27/408920027.db2.gz XUPJVOLNZOUNRI-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCO ZINC000281927988 408956268 /nfs/dbraw/zinc/95/62/68/408956268.db2.gz SFXQUPIKCHXGHD-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCO ZINC000281927988 408956269 /nfs/dbraw/zinc/95/62/69/408956269.db2.gz SFXQUPIKCHXGHD-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000277609206 408976596 /nfs/dbraw/zinc/97/65/96/408976596.db2.gz PNOPMVSYYFROCT-ZIAGYGMSSA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292123166 408984534 /nfs/dbraw/zinc/98/45/34/408984534.db2.gz KKODWHSZMCCWRK-LBPRGKRZSA-N 1 1 310.350 1.181 20 5 DDBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000286435530 408985107 /nfs/dbraw/zinc/98/51/07/408985107.db2.gz JBFVOYUNKKICJH-BOOVAVIHSA-N 1 1 319.361 1.112 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000277721538 408999273 /nfs/dbraw/zinc/99/92/73/408999273.db2.gz JFNYJKUPLUQVRD-GXSJLCMTSA-N 1 1 322.287 1.427 20 5 DDBDMO C[N@H+]1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1(C)C ZINC000282318077 409032445 /nfs/dbraw/zinc/03/24/45/409032445.db2.gz TUHUJKMFBQNKBY-UHFFFAOYSA-N 1 1 307.398 1.615 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000287723347 409082096 /nfs/dbraw/zinc/08/20/96/409082096.db2.gz FKUQSNPAWRNZQE-NXEZZACHSA-N 1 1 320.349 1.814 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CCC[N@H+](C)CCN(C)C ZINC000288869012 409190732 /nfs/dbraw/zinc/19/07/32/409190732.db2.gz LFOIXIDHAHNUNL-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CCCN(C)CC[NH+](C)C ZINC000288869012 409190736 /nfs/dbraw/zinc/19/07/36/409190736.db2.gz LFOIXIDHAHNUNL-UHFFFAOYSA-N 1 1 309.414 1.618 20 5 DDBDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293762897 409176131 /nfs/dbraw/zinc/17/61/31/409176131.db2.gz PDSGYYYLJNBECO-STQMWFEESA-N 1 1 321.425 1.464 20 5 DDBDMO COC(=O)c1cc(C)nc(N(C)[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000283935754 409242392 /nfs/dbraw/zinc/24/23/92/409242392.db2.gz XUBKKAVSRQEUJC-NSHDSACASA-N 1 1 322.365 1.615 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000284126496 409280565 /nfs/dbraw/zinc/28/05/65/409280565.db2.gz VFYUJJGLWRDPBR-UHFFFAOYSA-N 1 1 310.329 1.530 20 5 DDBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289542608 409281349 /nfs/dbraw/zinc/28/13/49/409281349.db2.gz BQXURDDJKNKXQN-ZJUUUORDSA-N 1 1 315.333 1.153 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000284350123 409330071 /nfs/dbraw/zinc/33/00/71/409330071.db2.gz MFSPIUBWGDDFOX-IPKOWEFYSA-N 1 1 319.405 1.995 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000280464935 409316195 /nfs/dbraw/zinc/31/61/95/409316195.db2.gz FXSTWDOETPUAKX-UHFFFAOYSA-N 1 1 307.350 1.492 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000290378862 409379114 /nfs/dbraw/zinc/37/91/14/409379114.db2.gz BYKFZCGCXSCUTR-UHFFFAOYSA-N 1 1 308.382 1.208 20 5 DDBDMO CN(CCCNC(=O)c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000290378862 409379118 /nfs/dbraw/zinc/37/91/18/409379118.db2.gz BYKFZCGCXSCUTR-UHFFFAOYSA-N 1 1 308.382 1.208 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCNC(=O)CC1 ZINC000295258409 409401363 /nfs/dbraw/zinc/40/13/63/409401363.db2.gz GSGCMKLCKNPLOF-AWEZNQCLSA-N 1 1 305.378 1.985 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000285018798 409393133 /nfs/dbraw/zinc/39/31/33/409393133.db2.gz MRVRPDUFEFIHCA-NWDGAFQWSA-N 1 1 310.329 1.225 20 5 DDBDMO C[N@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295256185 409399001 /nfs/dbraw/zinc/39/90/01/409399001.db2.gz ZUCGFNDPNTZDAW-CQSZACIVSA-N 1 1 317.345 1.862 20 5 DDBDMO NC(=O)c1ccnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000290448205 409406212 /nfs/dbraw/zinc/40/62/12/409406212.db2.gz CWCJKQDCJIMTLG-GHMZBOCLSA-N 1 1 305.338 1.127 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295307464 409424159 /nfs/dbraw/zinc/42/41/59/409424159.db2.gz FSZXYKGUUZMDTI-HOTGVXAUSA-N 1 1 321.377 1.379 20 5 DDBDMO COc1c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356728515 409556961 /nfs/dbraw/zinc/55/69/61/409556961.db2.gz FEOUQDHGNLNESO-JQWIXIFHSA-N 1 1 307.350 1.816 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000290720646 409497374 /nfs/dbraw/zinc/49/73/74/409497374.db2.gz VJPNPJXUABUJJI-UHFFFAOYSA-N 1 1 322.409 1.550 20 5 DDBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000290720646 409497380 /nfs/dbraw/zinc/49/73/80/409497380.db2.gz VJPNPJXUABUJJI-UHFFFAOYSA-N 1 1 322.409 1.550 20 5 DDBDMO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353902837 409548573 /nfs/dbraw/zinc/54/85/73/409548573.db2.gz YCGFOYIBJPRNGK-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000353902837 409548583 /nfs/dbraw/zinc/54/85/83/409548583.db2.gz YCGFOYIBJPRNGK-LBPRGKRZSA-N 1 1 307.350 1.892 20 5 DDBDMO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354079590 409636808 /nfs/dbraw/zinc/63/68/08/409636808.db2.gz IXEXWCJLXITCFO-SNVBAGLBSA-N 1 1 307.379 1.977 20 5 DDBDMO CC(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000304288114 409594970 /nfs/dbraw/zinc/59/49/70/409594970.db2.gz BHOJTAQHTXCNSL-CQSZACIVSA-N 1 1 312.370 1.042 20 5 DDBDMO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342501807 409681848 /nfs/dbraw/zinc/68/18/48/409681848.db2.gz WXMUEGUVVLILJI-ZACCUICWSA-N 1 1 307.354 1.026 20 5 DDBDMO COc1c(C(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000356964627 409751753 /nfs/dbraw/zinc/75/17/53/409751753.db2.gz ZIJRPOHUZBCXOG-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1c(C(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000356964627 409751767 /nfs/dbraw/zinc/75/17/67/409751767.db2.gz ZIJRPOHUZBCXOG-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO C[N@@H+](CC[C@@H]1CCCO1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000342609859 409761876 /nfs/dbraw/zinc/76/18/76/409761876.db2.gz WGULFFXXYIXQOS-CABCVRRESA-N 1 1 324.377 1.835 20 5 DDBDMO C[N@H+]1CCC[C@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000342706707 409830488 /nfs/dbraw/zinc/83/04/88/409830488.db2.gz ROVWMGGYPISMEF-AAEUAGOBSA-N 1 1 318.377 1.614 20 5 DDBDMO CNc1c(C(=O)NCCCn2cc[nH+]c2C)cccc1[N+](=O)[O-] ZINC000338332482 409920551 /nfs/dbraw/zinc/92/05/51/409920551.db2.gz IYPTUKSMMOOMBV-UHFFFAOYSA-N 1 1 317.349 1.962 20 5 DDBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H](C)C1 ZINC000346229195 409870241 /nfs/dbraw/zinc/87/02/41/409870241.db2.gz ROXQSCVDGWXFEA-SRVKXCTJSA-N 1 1 307.350 1.990 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239814 410007392 /nfs/dbraw/zinc/00/73/92/410007392.db2.gz IOIPQZRZMLZKKB-VHSXEESVSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332239814 410007397 /nfs/dbraw/zinc/00/73/97/410007397.db2.gz IOIPQZRZMLZKKB-VHSXEESVSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332239814 410007401 /nfs/dbraw/zinc/00/74/01/410007401.db2.gz IOIPQZRZMLZKKB-VHSXEESVSA-N 1 1 317.349 1.684 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000357392605 410011062 /nfs/dbraw/zinc/01/10/62/410011062.db2.gz OAOIUFQQRAXKPC-STQMWFEESA-N 1 1 320.393 1.996 20 5 DDBDMO COc1ccc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000332321981 410065785 /nfs/dbraw/zinc/06/57/85/410065785.db2.gz RORRSKDNHWUOAB-GDBMZVCRSA-N 1 1 321.377 1.508 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1cc[nH+]c1C ZINC000297988425 410071806 /nfs/dbraw/zinc/07/18/06/410071806.db2.gz YTPCSLLOSSYAGF-UHFFFAOYSA-N 1 1 304.306 1.425 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000332336399 410077356 /nfs/dbraw/zinc/07/73/56/410077356.db2.gz VYAMZIJWPVXMIO-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670374 410066699 /nfs/dbraw/zinc/06/66/99/410066699.db2.gz UOUSVWTYWOMCSV-YWPYICTPSA-N 1 1 319.361 1.689 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000346670374 410066703 /nfs/dbraw/zinc/06/67/03/410066703.db2.gz UOUSVWTYWOMCSV-YWPYICTPSA-N 1 1 319.361 1.689 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354859298 410132276 /nfs/dbraw/zinc/13/22/76/410132276.db2.gz OPGIGVBZXVYBJY-HNNXBMFYSA-N 1 1 308.334 1.267 20 5 DDBDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354859298 410132283 /nfs/dbraw/zinc/13/22/83/410132283.db2.gz OPGIGVBZXVYBJY-HNNXBMFYSA-N 1 1 308.334 1.267 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000351779759 410230069 /nfs/dbraw/zinc/23/00/69/410230069.db2.gz KJRSNMHUEZBJHK-JOYOIKCWSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000351779759 410230073 /nfs/dbraw/zinc/23/00/73/410230073.db2.gz KJRSNMHUEZBJHK-JOYOIKCWSA-N 1 1 304.306 1.457 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000298650420 410328747 /nfs/dbraw/zinc/32/87/47/410328747.db2.gz YBKBZFDMGJWLAV-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CO)C1 ZINC000298650420 410328754 /nfs/dbraw/zinc/32/87/54/410328754.db2.gz YBKBZFDMGJWLAV-RYUDHWBXSA-N 1 1 307.350 1.626 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000298729037 410370627 /nfs/dbraw/zinc/37/06/27/410370627.db2.gz RLYVKAHHTWKOHJ-SECBINFHSA-N 1 1 307.310 1.264 20 5 DDBDMO CC1=CC[N@@H+](CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355356046 410466853 /nfs/dbraw/zinc/46/68/53/410466853.db2.gz POCXFTJUKWBTDF-UHFFFAOYSA-N 1 1 303.362 1.906 20 5 DDBDMO COC[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233283 410566640 /nfs/dbraw/zinc/56/66/40/410566640.db2.gz BOHGUXSLWWWKEN-WFASDCNBSA-N 1 1 319.361 1.668 20 5 DDBDMO COCC[N@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347469557 410568210 /nfs/dbraw/zinc/56/82/10/410568210.db2.gz ZADUZMMJPMHGDP-LLVKDONJSA-N 1 1 317.349 1.671 20 5 DDBDMO C[N@@H+](CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000340095663 410672789 /nfs/dbraw/zinc/67/27/89/410672789.db2.gz PSBXXPQKODRJPV-UHFFFAOYSA-N 1 1 316.361 1.829 20 5 DDBDMO CCOc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000579935189 422859353 /nfs/dbraw/zinc/85/93/53/422859353.db2.gz PYMQBFCQTDSNTL-HUUCEWRRSA-N 1 1 321.377 1.903 20 5 DDBDMO CC[C@@]1(C)COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762174 410679007 /nfs/dbraw/zinc/67/90/07/410679007.db2.gz KUQLDNKEIYNLCT-BBRMVZONSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[C@@]1(C)COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343762174 410679010 /nfs/dbraw/zinc/67/90/10/410679010.db2.gz KUQLDNKEIYNLCT-BBRMVZONSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586574 410801729 /nfs/dbraw/zinc/80/17/29/410801729.db2.gz LSOFUORHDRJYCT-CHWSQXEVSA-N 1 1 320.393 1.582 20 5 DDBDMO Cc1nn(C)c(C(=O)NCCNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000347961997 410814585 /nfs/dbraw/zinc/81/45/85/410814585.db2.gz DFRZAIYFHXMNLT-UHFFFAOYSA-N 1 1 318.337 1.182 20 5 DDBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340296755 410835589 /nfs/dbraw/zinc/83/55/89/410835589.db2.gz FZKXDSNZLRYZSP-ZDUSSCGKSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1C[N@@H+](C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330675601 410869798 /nfs/dbraw/zinc/86/97/98/410869798.db2.gz SHEYVHVRYBCDAE-NSHDSACASA-N 1 1 317.349 1.781 20 5 DDBDMO Cn1c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000356300133 410954638 /nfs/dbraw/zinc/95/46/38/410954638.db2.gz OERNBOUUNRRSMO-HNNXBMFYSA-N 1 1 306.366 1.491 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3(O)CCCC3)C2)nc1 ZINC000331420061 411079871 /nfs/dbraw/zinc/07/98/71/411079871.db2.gz KTPOLQGHQZDGFG-GFCCVEGCSA-N 1 1 306.366 1.781 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000331216405 411023585 /nfs/dbraw/zinc/02/35/85/411023585.db2.gz VVYBLNLRTWBHDE-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000331216405 411023587 /nfs/dbraw/zinc/02/35/87/411023587.db2.gz VVYBLNLRTWBHDE-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341412507 411041793 /nfs/dbraw/zinc/04/17/93/411041793.db2.gz JUBKZESYBCECSE-PHIMTYICSA-N 1 1 322.365 1.688 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000356598336 411101828 /nfs/dbraw/zinc/10/18/28/411101828.db2.gz UEIVFDOPPHTZAL-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000356598336 411101831 /nfs/dbraw/zinc/10/18/31/411101831.db2.gz UEIVFDOPPHTZAL-UHFFFAOYSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H]1CCC[C@@](CNC(=O)c2n[nH]cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000137899083 196581419 /nfs/dbraw/zinc/58/14/19/196581419.db2.gz DDEKFQDNLRUUOJ-IINYFYTJSA-N 1 1 309.370 1.558 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000520780150 416977925 /nfs/dbraw/zinc/97/79/25/416977925.db2.gz FSJVPJRHOPMGMV-SNVBAGLBSA-N 1 1 309.370 1.492 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417226104 225252968 /nfs/dbraw/zinc/25/29/68/225252968.db2.gz KKCCGDXRVJVHPW-UHFFFAOYSA-N 1 1 302.281 1.031 20 5 DDBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996945 226000294 /nfs/dbraw/zinc/00/02/94/226000294.db2.gz FSHWWNFVEOOGTB-VHSXEESVSA-N 1 1 312.345 1.207 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000418996945 226000297 /nfs/dbraw/zinc/00/02/97/226000297.db2.gz FSHWWNFVEOOGTB-VHSXEESVSA-N 1 1 312.345 1.207 20 5 DDBDMO Cc1cc(C2=CC[N@@H+]([C@@H]3CCNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000366488881 418479788 /nfs/dbraw/zinc/47/97/88/418479788.db2.gz UZRHEIISWHTEMO-CYBMUJFWSA-N 1 1 316.361 1.463 20 5 DDBDMO Cc1cc(C2=CC[N@H+]([C@@H]3CCNC3=O)CC2)cc([N+](=O)[O-])c1N ZINC000366488881 418479790 /nfs/dbraw/zinc/47/97/90/418479790.db2.gz UZRHEIISWHTEMO-CYBMUJFWSA-N 1 1 316.361 1.463 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192494392 418523427 /nfs/dbraw/zinc/52/34/27/418523427.db2.gz XWORMIIOOYOLMX-TXEJJXNPSA-N 1 1 321.402 1.707 20 5 DDBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000192626514 418524799 /nfs/dbraw/zinc/52/47/99/418524799.db2.gz UUWFMFUBUSCJAE-ZDUSSCGKSA-N 1 1 323.397 1.278 20 5 DDBDMO CNc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000360954386 418553929 /nfs/dbraw/zinc/55/39/29/418553929.db2.gz MMZGEIXVVCUSKK-QWRGUYRKSA-N 1 1 318.377 1.992 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193200391 222146263 /nfs/dbraw/zinc/14/62/63/222146263.db2.gz FEBHCQDELVBYDJ-UHFFFAOYSA-N 1 1 324.381 1.362 20 5 DDBDMO C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1[NH3+] ZINC000297404307 227120464 /nfs/dbraw/zinc/12/04/64/227120464.db2.gz PQFJTMBEXNNZCS-RVBZMBCESA-N 1 1 317.349 1.669 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465874 418643576 /nfs/dbraw/zinc/64/35/76/418643576.db2.gz RDCJRECYZAMPKC-SNVBAGLBSA-N 1 1 318.337 1.578 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465874 418643577 /nfs/dbraw/zinc/64/35/77/418643577.db2.gz RDCJRECYZAMPKC-SNVBAGLBSA-N 1 1 318.337 1.578 20 5 DDBDMO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399820 418634770 /nfs/dbraw/zinc/63/47/70/418634770.db2.gz AXNSRNNSIYELME-CHWSQXEVSA-N 1 1 323.397 1.733 20 5 DDBDMO CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375399820 418634773 /nfs/dbraw/zinc/63/47/73/418634773.db2.gz AXNSRNNSIYELME-CHWSQXEVSA-N 1 1 323.397 1.733 20 5 DDBDMO CC(C)c1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000375532146 418655556 /nfs/dbraw/zinc/65/55/56/418655556.db2.gz IKKVKCXOSSGCDU-MRXNPFEDSA-N 1 1 321.377 1.530 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)s1 ZINC000375592093 418659814 /nfs/dbraw/zinc/65/98/14/418659814.db2.gz QOOKXMYQNBRCHT-GHMZBOCLSA-N 1 1 312.395 1.964 20 5 DDBDMO CC(C)C[N@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000371343293 418780712 /nfs/dbraw/zinc/78/07/12/418780712.db2.gz CRSRXNYSNHKSHW-UHFFFAOYSA-N 1 1 318.381 1.806 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@@H+](C)CC12CCCCC2 ZINC000361939920 418727636 /nfs/dbraw/zinc/72/76/36/418727636.db2.gz OSSPHINXKIGTMQ-UHFFFAOYSA-N 1 1 307.398 1.779 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411186085 418877620 /nfs/dbraw/zinc/87/76/20/418877620.db2.gz IRDVWCIBKFJUMQ-CYBMUJFWSA-N 1 1 320.349 1.134 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365249231 418846065 /nfs/dbraw/zinc/84/60/65/418846065.db2.gz PZTQGNJCHGFBFZ-VXGBXAGGSA-N 1 1 319.361 1.960 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000412036185 419583053 /nfs/dbraw/zinc/58/30/53/419583053.db2.gz LWLHJQPXAYUXRN-RISCZKNCSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000412036185 419583062 /nfs/dbraw/zinc/58/30/62/419583062.db2.gz LWLHJQPXAYUXRN-RISCZKNCSA-N 1 1 319.361 1.187 20 5 DDBDMO COc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000421709844 419691782 /nfs/dbraw/zinc/69/17/82/419691782.db2.gz HKVLXAYGWAEIJC-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1cn(Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000421844363 419748467 /nfs/dbraw/zinc/74/84/67/419748467.db2.gz OBDYLDXREFZGIE-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CNCC[C@H]1C ZINC000423355971 420023856 /nfs/dbraw/zinc/02/38/56/420023856.db2.gz GCHPJJCJACRMQK-LALPHHSUSA-N 1 1 320.393 1.900 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000430226207 420091579 /nfs/dbraw/zinc/09/15/79/420091579.db2.gz MSQGDHJVRYWODF-PWSUYJOCSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430919277 420203995 /nfs/dbraw/zinc/20/39/95/420203995.db2.gz PVUPFVBIAPJKON-JSGCOSHPSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430919276 420205086 /nfs/dbraw/zinc/20/50/86/420205086.db2.gz PVUPFVBIAPJKON-GXTWGEPZSA-N 1 1 320.393 1.901 20 5 DDBDMO [NH3+]CC[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)F ZINC000420270067 420175682 /nfs/dbraw/zinc/17/56/82/420175682.db2.gz UMLFQMXGOVOVIC-SECBINFHSA-N 1 1 313.264 2.039 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420592778 420325017 /nfs/dbraw/zinc/32/50/17/420325017.db2.gz BCBVHQSRFMORNG-NSHDSACASA-N 1 1 306.366 1.472 20 5 DDBDMO COc1cc(C[N@@H+](CCO)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000444777795 230133733 /nfs/dbraw/zinc/13/37/33/230133733.db2.gz QZNWBZBPVUYMIJ-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000450789744 420531433 /nfs/dbraw/zinc/53/14/33/420531433.db2.gz JJKISNOFDWNMBK-BETUJISGSA-N 1 1 307.350 1.879 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262258 420595364 /nfs/dbraw/zinc/59/53/64/420595364.db2.gz XDLNEBYOZMHOHR-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451262258 420595366 /nfs/dbraw/zinc/59/53/66/420595366.db2.gz XDLNEBYOZMHOHR-QWHCGFSZSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1nc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000447604756 420785180 /nfs/dbraw/zinc/78/51/80/420785180.db2.gz CTRCRBOHDFFANU-NWDGAFQWSA-N 1 1 319.369 1.534 20 5 DDBDMO Cc1nnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]1 ZINC000447604756 420785184 /nfs/dbraw/zinc/78/51/84/420785184.db2.gz CTRCRBOHDFFANU-NWDGAFQWSA-N 1 1 319.369 1.534 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454150245 420806853 /nfs/dbraw/zinc/80/68/53/420806853.db2.gz QJVRXOKNIPOJBV-AWEZNQCLSA-N 1 1 322.365 1.563 20 5 DDBDMO CNc1nc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455667260 421051557 /nfs/dbraw/zinc/05/15/57/421051557.db2.gz QDHNQBOSDJAKMX-NSHDSACASA-N 1 1 321.381 1.445 20 5 DDBDMO CNc1nc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456026297 421090569 /nfs/dbraw/zinc/09/05/69/421090569.db2.gz WZIYGHJULSACPS-VHSXEESVSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456026297 421090573 /nfs/dbraw/zinc/09/05/73/421090573.db2.gz WZIYGHJULSACPS-VHSXEESVSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000456066598 421095220 /nfs/dbraw/zinc/09/52/20/421095220.db2.gz MMXGZNZUYJPBJU-NSHDSACASA-N 1 1 321.381 1.634 20 5 DDBDMO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000449716769 421068002 /nfs/dbraw/zinc/06/80/02/421068002.db2.gz LYOUCWUVHBVEAY-BDAKNGLRSA-N 1 1 303.322 1.328 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000456371177 421153275 /nfs/dbraw/zinc/15/32/75/421153275.db2.gz GUASNUDPDQILOS-SNVBAGLBSA-N 1 1 307.354 1.128 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000456371177 421153278 /nfs/dbraw/zinc/15/32/78/421153278.db2.gz GUASNUDPDQILOS-SNVBAGLBSA-N 1 1 307.354 1.128 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000531634632 421641162 /nfs/dbraw/zinc/64/11/62/421641162.db2.gz BSILMQBNOYCVHL-SMDDNHRTSA-N 1 1 306.366 1.792 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000520218983 421741538 /nfs/dbraw/zinc/74/15/38/421741538.db2.gz LGDNVWFOQMACAQ-NSHDSACASA-N 1 1 315.276 1.283 20 5 DDBDMO C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000558756536 421824902 /nfs/dbraw/zinc/82/49/02/421824902.db2.gz GRAONBGMRCDRHV-STQMWFEESA-N 1 1 315.333 1.146 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000521114074 421773695 /nfs/dbraw/zinc/77/36/95/421773695.db2.gz RAXKJPYPMKFHGU-JTQLQIEISA-N 1 1 321.333 1.048 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521884218 421805300 /nfs/dbraw/zinc/80/53/00/421805300.db2.gz GPNFUUKHNFTCNT-OAHLLOKOSA-N 1 1 321.377 1.964 20 5 DDBDMO CNc1nccc(C(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000582072550 422104322 /nfs/dbraw/zinc/10/43/22/422104322.db2.gz ZDYOXCMRJLYVKH-UHFFFAOYSA-N 1 1 321.381 1.636 20 5 DDBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576595432 422376535 /nfs/dbraw/zinc/37/65/35/422376535.db2.gz LBZFSGVJVDGOMG-LLVKDONJSA-N 1 1 321.381 1.636 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000342063027 271286919 /nfs/dbraw/zinc/28/69/19/271286919.db2.gz NZHSYUOKIOTAQT-NSHDSACASA-N 1 1 309.370 1.209 20 5 DDBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000342063027 271286920 /nfs/dbraw/zinc/28/69/20/271286920.db2.gz NZHSYUOKIOTAQT-NSHDSACASA-N 1 1 309.370 1.209 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000345913764 272363733 /nfs/dbraw/zinc/36/37/33/272363733.db2.gz WANITMJPBZLHSB-MNOVXSKESA-N 1 1 309.370 1.041 20 5 DDBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000301658149 277124626 /nfs/dbraw/zinc/12/46/26/277124626.db2.gz LTIMTAYWLLBBPA-HUUCEWRRSA-N 1 1 314.345 1.662 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3(O)CCOCC3)C2)nc1 ZINC000122284229 281153972 /nfs/dbraw/zinc/15/39/72/281153972.db2.gz KDAXKWINGSMUPZ-LBPRGKRZSA-N 1 1 322.365 1.018 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000449122697 298919341 /nfs/dbraw/zinc/91/93/41/298919341.db2.gz MKUYDOOLXQNXFS-CABCVRRESA-N 1 1 320.437 1.751 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357933505 299024644 /nfs/dbraw/zinc/02/46/44/299024644.db2.gz JFCQDHXWHVBZKG-LBPRGKRZSA-N 1 1 323.397 1.569 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362077779 300001501 /nfs/dbraw/zinc/00/15/01/300001501.db2.gz ONVIWAJOJUSOJD-CHWSQXEVSA-N 1 1 321.377 1.792 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]21 ZINC000362279586 300043074 /nfs/dbraw/zinc/04/30/74/300043074.db2.gz HQQQUWXEYODFOY-NOZJJQNGSA-N 1 1 322.340 1.482 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362770866 300136608 /nfs/dbraw/zinc/13/66/08/300136608.db2.gz VLXYHNSOQXQHDG-UHFFFAOYSA-N 1 1 315.320 1.872 20 5 DDBDMO O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000363305884 300248647 /nfs/dbraw/zinc/24/86/47/300248647.db2.gz UNPPXEBNRRDBIT-CVEARBPZSA-N 1 1 317.389 1.475 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364037514 300337250 /nfs/dbraw/zinc/33/72/50/300337250.db2.gz AUDMSVYTBQDMMM-STQMWFEESA-N 1 1 321.381 1.233 20 5 DDBDMO COc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367995230 300929655 /nfs/dbraw/zinc/92/96/55/300929655.db2.gz YFGCUBFWFYKKEF-SNVBAGLBSA-N 1 1 315.276 1.283 20 5 DDBDMO CC(C)[C@@]1(CO)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377651843 302204176 /nfs/dbraw/zinc/20/41/76/302204176.db2.gz KGAWZKZZVPQTKD-HOTGVXAUSA-N 1 1 308.378 1.969 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531912027 303265470 /nfs/dbraw/zinc/26/54/70/303265470.db2.gz QPXMKRKSUVLUTE-RYUDHWBXSA-N 1 1 309.370 1.384 20 5 DDBDMO Cn1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000535072231 303343980 /nfs/dbraw/zinc/34/39/80/303343980.db2.gz NXWJPHJNTDBICH-UHFFFAOYSA-N 1 1 301.350 1.651 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000357658813 306903651 /nfs/dbraw/zinc/90/36/51/306903651.db2.gz IBHVZYSBRQNJLB-UHFFFAOYSA-N 1 1 315.333 1.847 20 5 DDBDMO O=C1OCC[C@H]1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369004146 307114318 /nfs/dbraw/zinc/11/43/18/307114318.db2.gz YNPZAOVNUMJLEU-VXGBXAGGSA-N 1 1 308.338 1.381 20 5 DDBDMO CN1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373242926 307182202 /nfs/dbraw/zinc/18/22/02/307182202.db2.gz MMCUXCQNVHFRSK-CQSZACIVSA-N 1 1 304.350 1.189 20 5 DDBDMO CN1C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000373242926 307182203 /nfs/dbraw/zinc/18/22/03/307182203.db2.gz MMCUXCQNVHFRSK-CQSZACIVSA-N 1 1 304.350 1.189 20 5 DDBDMO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374868284 307214817 /nfs/dbraw/zinc/21/48/17/307214817.db2.gz JZIHTOUKQAOYTN-LBPRGKRZSA-N 1 1 322.340 1.724 20 5 DDBDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374868284 307214818 /nfs/dbraw/zinc/21/48/18/307214818.db2.gz JZIHTOUKQAOYTN-LBPRGKRZSA-N 1 1 322.340 1.724 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000577342901 308379993 /nfs/dbraw/zinc/37/99/93/308379993.db2.gz NAPHUBUKJRJLDJ-OCCSQVGLSA-N 1 1 304.350 1.440 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000584308595 332236477 /nfs/dbraw/zinc/23/64/77/332236477.db2.gz OXUGFTWVLFOXSY-WDEREUQCSA-N 1 1 322.365 1.614 20 5 DDBDMO COC(=O)c1cc(C)nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000584308595 332236479 /nfs/dbraw/zinc/23/64/79/332236479.db2.gz OXUGFTWVLFOXSY-WDEREUQCSA-N 1 1 322.365 1.614 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046073 533872346 /nfs/dbraw/zinc/87/23/46/533872346.db2.gz UZMSCMYTDBPDOW-MRXNPFEDSA-N 1 1 318.377 1.901 20 5 DDBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154813059 524682944 /nfs/dbraw/zinc/68/29/44/524682944.db2.gz WJTZSBJHICPBPC-SMDDNHRTSA-N 1 1 321.352 1.972 20 5 DDBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000451300858 534887246 /nfs/dbraw/zinc/88/72/46/534887246.db2.gz MREMEGJMKQVKRJ-FMKPAKJESA-N 1 1 306.362 1.957 20 5 DDBDMO CC(C)(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000444673575 526639267 /nfs/dbraw/zinc/63/92/67/526639267.db2.gz JDYQUPBZKXKWPW-LBPRGKRZSA-N 1 1 305.338 1.461 20 5 DDBDMO C[C@H]1CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820716761 599083939 /nfs/dbraw/zinc/08/39/39/599083939.db2.gz LADFTAIGWDTANV-JTQLQIEISA-N 1 1 317.353 1.671 20 5 DDBDMO COC(=O)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000151656624 696889116 /nfs/dbraw/zinc/88/91/16/696889116.db2.gz CLCCSVHNOFYVLY-LBPRGKRZSA-N 1 1 318.333 1.787 20 5 DDBDMO COC(=O)[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000151656624 696889120 /nfs/dbraw/zinc/88/91/20/696889120.db2.gz CLCCSVHNOFYVLY-LBPRGKRZSA-N 1 1 318.333 1.787 20 5 DDBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983658481 697287076 /nfs/dbraw/zinc/28/70/76/697287076.db2.gz XDWOMYBTVWYPJG-FDYHWXHSSA-N 1 1 309.391 1.398 20 5 DDBDMO O=C(CC[N@H+]1CCC2(C1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000160708426 697319352 /nfs/dbraw/zinc/31/93/52/697319352.db2.gz CGOMLCSZJLWEPF-UHFFFAOYSA-N 1 1 321.333 1.372 20 5 DDBDMO CCS(=O)(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000233826745 697790645 /nfs/dbraw/zinc/79/06/45/697790645.db2.gz BZQXZUHYTCFKJJ-UHFFFAOYSA-N 1 1 306.771 1.773 20 5 DDBDMO NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582170 698120932 /nfs/dbraw/zinc/12/09/32/698120932.db2.gz RVCURFPACBJKPP-ZIAGYGMSSA-N 1 1 307.350 1.358 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586970 698122531 /nfs/dbraw/zinc/12/25/31/698122531.db2.gz RTDPGTMBFZCJDY-HIFRSBDPSA-N 1 1 308.334 1.513 20 5 DDBDMO COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590917 698123640 /nfs/dbraw/zinc/12/36/40/698123640.db2.gz MFRSJDQBNAWYMN-ZIAGYGMSSA-N 1 1 308.334 1.656 20 5 DDBDMO Cc1cccc(N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000782350002 698713313 /nfs/dbraw/zinc/71/33/13/698713313.db2.gz FUKRZCYURRTWMX-UHFFFAOYSA-N 1 1 301.350 1.963 20 5 DDBDMO COc1c(C(=O)OCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000796305834 699925403 /nfs/dbraw/zinc/92/54/03/699925403.db2.gz DVVRNVBWCBRMQL-UHFFFAOYSA-N 1 1 324.333 1.483 20 5 DDBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804396399 701186019 /nfs/dbraw/zinc/18/60/19/701186019.db2.gz HFJVLQHZTHVVKU-QWRGUYRKSA-N 1 1 322.321 1.778 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804446418 701190959 /nfs/dbraw/zinc/19/09/59/701190959.db2.gz GEJAKFYJBCIVHM-JTQLQIEISA-N 1 1 309.326 1.161 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804446418 701190961 /nfs/dbraw/zinc/19/09/61/701190961.db2.gz GEJAKFYJBCIVHM-JTQLQIEISA-N 1 1 309.326 1.161 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000804630547 701204856 /nfs/dbraw/zinc/20/48/56/701204856.db2.gz FBYLBICJNHIXPN-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000804630547 701204858 /nfs/dbraw/zinc/20/48/58/701204858.db2.gz FBYLBICJNHIXPN-UHFFFAOYSA-N 1 1 321.377 1.690 20 5 DDBDMO C[C@@]([NH3+])(C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1cccc([N+](=O)[O-])c1 ZINC000867948777 701848470 /nfs/dbraw/zinc/84/84/70/701848470.db2.gz DVGHJGMSHUOERJ-ZENOOKHLSA-N 1 1 303.362 1.883 20 5 DDBDMO Cc1nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118322 701978040 /nfs/dbraw/zinc/97/80/40/701978040.db2.gz DBDZOADAHRXHMU-MGPQQGTHSA-N 1 1 308.382 1.991 20 5 DDBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840181061 702015378 /nfs/dbraw/zinc/01/53/78/702015378.db2.gz YXKRUDQWYGQPTG-NSHDSACASA-N 1 1 317.349 1.312 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](CO)CC1)OCCO2 ZINC000816666500 702138150 /nfs/dbraw/zinc/13/81/50/702138150.db2.gz OMAUQFOCQZYDLT-GFCCVEGCSA-N 1 1 322.361 1.960 20 5 DDBDMO C[NH2+]Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843225569 702846172 /nfs/dbraw/zinc/84/61/72/702846172.db2.gz LUMARGBJNGVQNR-UHFFFAOYSA-N 1 1 308.294 1.305 20 5 DDBDMO CC[C@H]([NH3+])c1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000843226198 702846195 /nfs/dbraw/zinc/84/61/95/702846195.db2.gz VYLRDLJRRJJPAD-JTQLQIEISA-N 1 1 322.321 1.996 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000852314406 704008355 /nfs/dbraw/zinc/00/83/55/704008355.db2.gz SKLMQWZKHGTNQG-DOMZBBRYSA-N 1 1 317.349 1.242 20 5 DDBDMO COC[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870886302 704157973 /nfs/dbraw/zinc/15/79/73/704157973.db2.gz CRFDFFPHGWWVQO-WBMJQRKESA-N 1 1 321.377 1.654 20 5 DDBDMO Cc1nn(C[N@H+]2CCC3(COC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853597409 704281928 /nfs/dbraw/zinc/28/19/28/704281928.db2.gz JBDMQVFGSZOAEM-UHFFFAOYSA-N 1 1 302.334 1.933 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000821341804 704393759 /nfs/dbraw/zinc/39/37/59/704393759.db2.gz FMUILUOTTFVXCO-INIZCTEOSA-N 1 1 322.409 1.029 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CC[N@@H+](CC)C1 ZINC000855490728 704487493 /nfs/dbraw/zinc/48/74/93/704487493.db2.gz KOJNWZXLZVHLCQ-JTQLQIEISA-N 1 1 324.356 1.872 20 5 DDBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962172 705055806 /nfs/dbraw/zinc/05/58/06/705055806.db2.gz JMCQSTWSIZVZKD-JGZJWPJOSA-N 1 1 308.294 1.199 20 5 DDBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000859962172 705055810 /nfs/dbraw/zinc/05/58/10/705055810.db2.gz JMCQSTWSIZVZKD-JGZJWPJOSA-N 1 1 308.294 1.199 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000874850724 705203641 /nfs/dbraw/zinc/20/36/41/705203641.db2.gz WFPULLZBCUORJU-CABCVRRESA-N 1 1 303.362 1.832 20 5 DDBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861718169 705549825 /nfs/dbraw/zinc/54/98/25/705549825.db2.gz WMWSWAOTWQTABW-RYUDHWBXSA-N 1 1 323.324 1.015 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825098960 705599313 /nfs/dbraw/zinc/59/93/13/705599313.db2.gz RAHWASLORUWKMO-IUODEOHRSA-N 1 1 321.377 1.476 20 5 DDBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000826722480 705857884 /nfs/dbraw/zinc/85/78/84/705857884.db2.gz QVTVHFREGAESHG-RISCZKNCSA-N 1 1 307.350 1.086 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000827136916 705937276 /nfs/dbraw/zinc/93/72/76/705937276.db2.gz UISVVSHFWCWQEE-CYBMUJFWSA-N 1 1 309.341 1.877 20 5 DDBDMO CCn1ncc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000863561056 705958118 /nfs/dbraw/zinc/95/81/18/705958118.db2.gz BXWWFEKXSKTAGF-UHFFFAOYSA-N 1 1 318.337 1.325 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC[C@H]21 ZINC000827269714 705964882 /nfs/dbraw/zinc/96/48/82/705964882.db2.gz ZCDXABHKJXFDJJ-TVQRCGJNSA-N 1 1 322.340 1.482 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC[N@H+]1C ZINC000827401065 705993059 /nfs/dbraw/zinc/99/30/59/705993059.db2.gz XFOHLUOJBCQQCA-DGCLKSJQSA-N 1 1 303.362 1.820 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764462 706201605 /nfs/dbraw/zinc/20/16/05/706201605.db2.gz CQVJCKFTLVUKMX-YEKRNXETSA-N 1 1 306.362 1.531 20 5 DDBDMO C[C@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000877831480 706227096 /nfs/dbraw/zinc/22/70/96/706227096.db2.gz UXWOMRDUAOLYJZ-KSZJFAHPSA-N 1 1 323.393 1.061 20 5 DDBDMO C[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000877831480 706227099 /nfs/dbraw/zinc/22/70/99/706227099.db2.gz UXWOMRDUAOLYJZ-KSZJFAHPSA-N 1 1 323.393 1.061 20 5 DDBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2nonc21 ZINC000829010146 706272867 /nfs/dbraw/zinc/27/28/67/706272867.db2.gz HSAIYDRKLWKCRO-AOOOYVTPSA-N 1 1 319.321 1.406 20 5 DDBDMO CC[N@@H+](CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000865150744 706364289 /nfs/dbraw/zinc/36/42/89/706364289.db2.gz HJQWRSDDBPUEBY-UHFFFAOYSA-N 1 1 309.341 1.877 20 5 DDBDMO COC(C[N@@H+](CCCO)Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000878396020 706376795 /nfs/dbraw/zinc/37/67/95/706376795.db2.gz IJHMMEVVZICFAM-UHFFFAOYSA-N 1 1 312.366 1.707 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865642046 706485050 /nfs/dbraw/zinc/48/50/50/706485050.db2.gz QMJYXYZBFLCTKS-JTQLQIEISA-N 1 1 320.324 1.954 20 5 DDBDMO C[C@H]1CN(C)C(=O)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000865710758 706502987 /nfs/dbraw/zinc/50/29/87/706502987.db2.gz CMVBIAYSOWPEDC-JTQLQIEISA-N 1 1 300.318 1.810 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000865998463 706589145 /nfs/dbraw/zinc/58/91/45/706589145.db2.gz IWTLCNBOCNXNDI-VIFPVBQESA-N 1 1 314.773 1.322 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880438539 706976526 /nfs/dbraw/zinc/97/65/26/706976526.db2.gz MMWVBLDFNMHJBK-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880438539 706976529 /nfs/dbraw/zinc/97/65/29/706976529.db2.gz MMWVBLDFNMHJBK-BXUZGUMPSA-N 1 1 319.361 1.329 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000832913226 706997469 /nfs/dbraw/zinc/99/74/69/706997469.db2.gz YFGLIFYVVRURHO-IPYPFGDCSA-N 1 1 319.361 1.038 20 5 DDBDMO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CN(C)C ZINC000926964184 712923371 /nfs/dbraw/zinc/92/33/71/712923371.db2.gz WKIYALGJDGAGJN-AAEUAGOBSA-N 1 1 310.398 1.794 20 5 DDBDMO CC[C@H]1COCC[N@@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872772924 707594324 /nfs/dbraw/zinc/59/43/24/707594324.db2.gz CLYASZUFHAARQL-NSHDSACASA-N 1 1 319.365 1.994 20 5 DDBDMO CC[C@H]1COCC[N@H+]1CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000872772924 707594326 /nfs/dbraw/zinc/59/43/26/707594326.db2.gz CLYASZUFHAARQL-NSHDSACASA-N 1 1 319.365 1.994 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c2nonc21 ZINC000872780114 707596674 /nfs/dbraw/zinc/59/66/74/707596674.db2.gz JPCLUSJEILYYIA-VHSXEESVSA-N 1 1 303.322 1.804 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000882486542 707657214 /nfs/dbraw/zinc/65/72/14/707657214.db2.gz STUVILOQGNMRCT-LBPRGKRZSA-N 1 1 309.370 1.009 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1C[N@@H+](C)CCN1C ZINC000873051184 707709562 /nfs/dbraw/zinc/70/95/62/707709562.db2.gz DELOHTIHAZAUEN-CQSZACIVSA-N 1 1 306.410 1.547 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1C[N@H+](C)CCN1C ZINC000873051184 707709566 /nfs/dbraw/zinc/70/95/66/707709566.db2.gz DELOHTIHAZAUEN-CQSZACIVSA-N 1 1 306.410 1.547 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220810 708258738 /nfs/dbraw/zinc/25/87/38/708258738.db2.gz DKFGEXUUIIZGCJ-HZPDHXFCSA-N 1 1 305.378 1.939 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897222772 708260632 /nfs/dbraw/zinc/26/06/32/708260632.db2.gz XMKVGCYVANMTET-ZIAGYGMSSA-N 1 1 305.378 1.939 20 5 DDBDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249985 708725494 /nfs/dbraw/zinc/72/54/94/708725494.db2.gz XWJCOPMFSWUMEB-NSHDSACASA-N 1 1 311.363 1.328 20 5 DDBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249985 708725496 /nfs/dbraw/zinc/72/54/96/708725496.db2.gz XWJCOPMFSWUMEB-NSHDSACASA-N 1 1 311.363 1.328 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000886799101 708846991 /nfs/dbraw/zinc/84/69/91/708846991.db2.gz MNCIPYHHMWJSHF-SNVBAGLBSA-N 1 1 308.260 1.038 20 5 DDBDMO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000898835476 708884177 /nfs/dbraw/zinc/88/41/77/708884177.db2.gz NPGAMDHQBBQGDL-KGLIPLIRSA-N 1 1 319.361 1.903 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887933100 709169629 /nfs/dbraw/zinc/16/96/29/709169629.db2.gz CWFLEBXJEBROQY-ZUZCIYMTSA-N 1 1 321.381 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887933100 709169632 /nfs/dbraw/zinc/16/96/32/709169632.db2.gz CWFLEBXJEBROQY-ZUZCIYMTSA-N 1 1 321.381 1.294 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887933100 709169634 /nfs/dbraw/zinc/16/96/34/709169634.db2.gz CWFLEBXJEBROQY-ZUZCIYMTSA-N 1 1 321.381 1.294 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000892417925 710434093 /nfs/dbraw/zinc/43/40/93/710434093.db2.gz KGYDYGUNERFCSF-LSDHHAIUSA-N 1 1 318.377 1.973 20 5 DDBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000928438767 713195955 /nfs/dbraw/zinc/19/59/55/713195955.db2.gz GVCNLTZQIVFTAR-JQWIXIFHSA-N 1 1 307.350 1.734 20 5 DDBDMO COc1c(O)ccc(CNCC[N@H+]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000893355039 710614079 /nfs/dbraw/zinc/61/40/79/710614079.db2.gz BPJVAMSVMSDMTM-NSHDSACASA-N 1 1 309.366 1.883 20 5 DDBDMO COc1c(O)ccc(C[NH2+]CCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000893355039 710614082 /nfs/dbraw/zinc/61/40/82/710614082.db2.gz BPJVAMSVMSDMTM-NSHDSACASA-N 1 1 309.366 1.883 20 5 DDBDMO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451247 713202597 /nfs/dbraw/zinc/20/25/97/713202597.db2.gz VIRSIIPMANSJNQ-PWSUYJOCSA-N 1 1 307.350 1.355 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000928569197 713232611 /nfs/dbraw/zinc/23/26/11/713232611.db2.gz LDWGGRIDMRZSHD-CYBMUJFWSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000928569197 713232612 /nfs/dbraw/zinc/23/26/12/713232612.db2.gz LDWGGRIDMRZSHD-CYBMUJFWSA-N 1 1 315.333 1.214 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000894973820 711346687 /nfs/dbraw/zinc/34/66/87/711346687.db2.gz BECKRDUSKGUBBT-GHMZBOCLSA-N 1 1 310.350 1.759 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc2sccn2c1[N+](=O)[O-] ZINC000895193624 711449791 /nfs/dbraw/zinc/44/97/91/711449791.db2.gz ZGJQNJGQOZENQT-VHSXEESVSA-N 1 1 307.379 1.977 20 5 DDBDMO C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895248266 711465151 /nfs/dbraw/zinc/46/51/51/711465151.db2.gz ZPOXDGLMTYDWIL-BXKDBHETSA-N 1 1 313.789 1.111 20 5 DDBDMO C[N@H+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000895564971 711542727 /nfs/dbraw/zinc/54/27/27/711542727.db2.gz RBMLFLBGHBMZIO-UHFFFAOYSA-N 1 1 321.377 1.892 20 5 DDBDMO CN1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770300 711601342 /nfs/dbraw/zinc/60/13/42/711601342.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 1 1 320.397 1.222 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC000896524203 711738245 /nfs/dbraw/zinc/73/82/45/711738245.db2.gz WDBLAOPBOQATSP-ZDUSSCGKSA-N 1 1 306.366 1.963 20 5 DDBDMO O=C(NC12CC[NH+](CC1)C2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000913631874 713272861 /nfs/dbraw/zinc/27/28/61/713272861.db2.gz GSLXXUUNVYFWOM-UHFFFAOYSA-N 1 1 311.288 1.651 20 5 DDBDMO C[N@H+]1CCC[C@H]1Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000917686710 713509852 /nfs/dbraw/zinc/50/98/52/713509852.db2.gz XYXGWVNKDKWWGC-LBPRGKRZSA-N 1 1 304.306 1.506 20 5 DDBDMO Cc1nn(C)c(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000920659658 713685836 /nfs/dbraw/zinc/68/58/36/713685836.db2.gz CQTFBBCTAGIVPU-NSHDSACASA-N 1 1 310.354 1.668 20 5 DDBDMO C[C@@H]1CCC[N@H+](CC[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000929778919 713688636 /nfs/dbraw/zinc/68/86/36/713688636.db2.gz KSNRRSVNOIAULF-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC000929778919 713688637 /nfs/dbraw/zinc/68/86/37/713688637.db2.gz KSNRRSVNOIAULF-NEPJUHHUSA-N 1 1 301.387 1.888 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000931402701 714086126 /nfs/dbraw/zinc/08/61/26/714086126.db2.gz XGKPRDMFWMPCAI-CYBMUJFWSA-N 1 1 309.366 1.102 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCn2cc[nH+]c21 ZINC000931524709 714119357 /nfs/dbraw/zinc/11/93/57/714119357.db2.gz UTDYTCMRSGLPDL-JTQLQIEISA-N 1 1 301.306 1.639 20 5 DDBDMO CCCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000923287730 714298365 /nfs/dbraw/zinc/29/83/65/714298365.db2.gz FLBSVNJCRMWWQQ-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923287730 714298368 /nfs/dbraw/zinc/29/83/68/714298368.db2.gz FLBSVNJCRMWWQQ-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000923287730 714298369 /nfs/dbraw/zinc/29/83/69/714298369.db2.gz FLBSVNJCRMWWQQ-MNOVXSKESA-N 1 1 321.381 1.579 20 5 DDBDMO CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000932969862 714446418 /nfs/dbraw/zinc/44/64/18/714446418.db2.gz CYLMPBNIPVDERL-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO CCO[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000932969862 714446421 /nfs/dbraw/zinc/44/64/21/714446421.db2.gz CYLMPBNIPVDERL-ZDUSSCGKSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[C@H]2OC)c1 ZINC000934104981 714741988 /nfs/dbraw/zinc/74/19/88/714741988.db2.gz APFMXUDUWLBOLA-UONOGXRCSA-N 1 1 308.334 1.991 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CC[C@H]2OC)c1 ZINC000934104981 714741989 /nfs/dbraw/zinc/74/19/89/714741989.db2.gz APFMXUDUWLBOLA-UONOGXRCSA-N 1 1 308.334 1.991 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260295 714778126 /nfs/dbraw/zinc/77/81/26/714778126.db2.gz WDBIAULKMYMJLT-CVEARBPZSA-N 1 1 323.368 1.765 20 5 DDBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CCC1 ZINC001025645204 736807601 /nfs/dbraw/zinc/80/76/01/736807601.db2.gz OLFRGWYJKVNMPJ-ZSHCYNCHSA-N 1 1 315.373 1.941 20 5 DDBDMO CC(C)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936432 742839601 /nfs/dbraw/zinc/83/96/01/742839601.db2.gz HLNQQOZXBZMWHV-HUUCEWRRSA-N 1 1 305.378 1.681 20 5 DDBDMO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001002783484 743425118 /nfs/dbraw/zinc/42/51/18/743425118.db2.gz ULAYJTQZKUZXLE-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001184387309 744031485 /nfs/dbraw/zinc/03/14/85/744031485.db2.gz IVUBZHDSDNQJDB-RWMBFGLXSA-N 1 1 321.377 1.739 20 5 DDBDMO CC(C)CC1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001129062177 751205397 /nfs/dbraw/zinc/20/53/97/751205397.db2.gz XRFQXJDKWYKLKG-UHFFFAOYSA-N 1 1 323.397 1.360 20 5 DDBDMO O=C1CC[C@H]2[C@H](CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1CC1CC1 ZINC001169019305 762199870 /nfs/dbraw/zinc/19/98/70/762199870.db2.gz HOAZBEKFZLGCFT-UGUYLWEFSA-N 1 1 321.421 1.907 20 5 DDBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000823784949 758361614 /nfs/dbraw/zinc/36/16/14/758361614.db2.gz UIEZYFQHNVDZSL-QMTHXVAHSA-N 1 1 324.356 1.098 20 5 DDBDMO O=C(NCC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400701 762826229 /nfs/dbraw/zinc/82/62/29/762826229.db2.gz VVJJNWLPRIAPLG-HZPDHXFCSA-N 1 1 321.421 1.980 20 5 DDBDMO COc1ccc(C[C@H](C)[N@H+]2CC[C@H](F)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327849 766254042 /nfs/dbraw/zinc/25/40/42/766254042.db2.gz IIKWAZPQSJXIMY-XEGUGMAKSA-N 1 1 312.341 1.939 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2cccnc2)CC1 ZINC001045436900 766306322 /nfs/dbraw/zinc/30/63/22/766306322.db2.gz XEKUUSUCQLNKFS-ZIAGYGMSSA-N 1 1 318.377 1.218 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C[N@H+]1C1CC1 ZINC001137492694 766350593 /nfs/dbraw/zinc/35/05/93/766350593.db2.gz XKJYELPGUCOFHQ-BQBZGAKWSA-N 1 1 313.745 1.326 20 5 DDBDMO CCC(=O)NCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001096243317 768740579 /nfs/dbraw/zinc/74/05/79/768740579.db2.gz LFYQKYCHTCGOGK-UHFFFAOYSA-N 1 1 321.381 1.028 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525574 769493263 /nfs/dbraw/zinc/49/32/63/769493263.db2.gz YCOKXLUWMLTVRD-XVIXHAIJSA-N 1 1 313.373 1.370 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)[C@@H]1CC1[N+](=O)[O-] ZINC001048525574 769493268 /nfs/dbraw/zinc/49/32/68/769493268.db2.gz YCOKXLUWMLTVRD-XVIXHAIJSA-N 1 1 313.373 1.370 20 5 DDBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)[C@@H]1CC1[N+](=O)[O-] ZINC001048525574 769493272 /nfs/dbraw/zinc/49/32/72/769493272.db2.gz YCOKXLUWMLTVRD-XVIXHAIJSA-N 1 1 313.373 1.370 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCn3cnnc3C1)CC2 ZINC001172908054 776918028 /nfs/dbraw/zinc/91/80/28/776918028.db2.gz KQVVXFMEMDNRJN-AWEZNQCLSA-N 1 1 313.361 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCn3cnnc3C1)CC2 ZINC001172908054 776918037 /nfs/dbraw/zinc/91/80/37/776918037.db2.gz KQVVXFMEMDNRJN-AWEZNQCLSA-N 1 1 313.361 1.950 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001173221726 777054380 /nfs/dbraw/zinc/05/43/80/777054380.db2.gz LIXCXCXNMVUHFH-BBRMVZONSA-N 1 1 305.378 1.542 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101657650 777352909 /nfs/dbraw/zinc/35/29/09/777352909.db2.gz JDOBKOHPLILQKW-UHFFFAOYSA-N 1 1 308.382 1.805 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001101705321 777414822 /nfs/dbraw/zinc/41/48/22/777414822.db2.gz ARNRKHVLHUSZFG-UHFFFAOYSA-N 1 1 323.397 1.510 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176532607 778172233 /nfs/dbraw/zinc/17/22/33/778172233.db2.gz BFXDMPOYMISLRM-UONOGXRCSA-N 1 1 319.361 1.184 20 5 DDBDMO C[N@H+]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178709985 779154740 /nfs/dbraw/zinc/15/47/40/779154740.db2.gz UAWOKBKEAMLKOV-CYBMUJFWSA-N 1 1 306.366 1.463 20 5 DDBDMO COc1cc(CNC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1O ZINC001179730252 779470432 /nfs/dbraw/zinc/47/04/32/779470432.db2.gz TXQPIQNZXBBAJY-LBPRGKRZSA-N 1 1 309.366 1.883 20 5 DDBDMO COc1cc(CNC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1O ZINC001179730252 779470437 /nfs/dbraw/zinc/47/04/37/779470437.db2.gz TXQPIQNZXBBAJY-LBPRGKRZSA-N 1 1 309.366 1.883 20 5 DDBDMO Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001274014972 851849977 /nfs/dbraw/zinc/84/99/77/851849977.db2.gz FOCXNZDKFLYEJC-OBMMGQTPSA-N 1 1 317.389 1.731 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001122733050 858951535 /nfs/dbraw/zinc/95/15/35/858951535.db2.gz WJLPDSCDCIPOKJ-CHWSQXEVSA-N 1 1 322.413 1.241 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C)c1ccccc1[N+](=O)[O-] ZINC001123975899 859506337 /nfs/dbraw/zinc/50/63/37/859506337.db2.gz GUSQVLAMRAVGBN-XUJVJEKNSA-N 1 1 318.377 1.160 20 5 DDBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001140660976 860669217 /nfs/dbraw/zinc/66/92/17/860669217.db2.gz MNYNZHIKPKBWNQ-QMMMGPOBSA-N 1 1 315.761 1.528 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001140660976 860669219 /nfs/dbraw/zinc/66/92/19/860669219.db2.gz MNYNZHIKPKBWNQ-QMMMGPOBSA-N 1 1 315.761 1.528 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001203067137 860699852 /nfs/dbraw/zinc/69/98/52/860699852.db2.gz GTADFWIDBCUPKB-LLVKDONJSA-N 1 1 321.381 1.714 20 5 DDBDMO COc1cc2ncnc(N[C@H]3CC[N@@H+](C)C3)c2cc1[N+](=O)[O-] ZINC001156580870 863164225 /nfs/dbraw/zinc/16/42/25/863164225.db2.gz YHIHDCKEYXGXKM-VIFPVBQESA-N 1 1 303.322 1.663 20 5 DDBDMO Cc1cc(C)cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157760372 864111671 /nfs/dbraw/zinc/11/16/71/864111671.db2.gz DXBJOLSTYPKMRV-HUUCEWRRSA-N 1 1 305.378 1.565 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001158366056 864605683 /nfs/dbraw/zinc/60/56/83/864605683.db2.gz VFNZCCVFZMSXAT-SECBINFHSA-N 1 1 310.329 1.530 20 5 DDBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC001160160795 865704764 /nfs/dbraw/zinc/70/47/64/865704764.db2.gz RPTGJWNSXCGWES-CQSZACIVSA-N 1 1 305.378 1.998 20 5 DDBDMO CC(=O)NC[C@H](C)CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001160656804 866000948 /nfs/dbraw/zinc/00/09/48/866000948.db2.gz SAWIFQMJWOAERM-QRGHLMKCSA-N 1 1 321.381 1.706 20 5 DDBDMO CCCc1[nH]nc(C(=O)Nc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC001323958502 866977586 /nfs/dbraw/zinc/97/75/86/866977586.db2.gz INLZAGZQELWTNU-UHFFFAOYSA-N 1 1 303.322 1.956 20 5 DDBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001324437764 867280423 /nfs/dbraw/zinc/28/04/23/867280423.db2.gz BXZIUFYWYHXUNM-CABCVRRESA-N 1 1 319.361 1.325 20 5 DDBDMO COc1c(O)ccc(CN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001334318377 867482004 /nfs/dbraw/zinc/48/20/04/867482004.db2.gz HVLLIFDTIGKOGN-UHFFFAOYSA-N 1 1 309.366 1.835 20 5 DDBDMO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001162810111 867844274 /nfs/dbraw/zinc/84/42/74/867844274.db2.gz DGJGNUYVXBLSAN-HZPDHXFCSA-N 1 1 319.405 1.723 20 5 DDBDMO Cc1cccc(N2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)[nH+]1 ZINC001163659552 868599986 /nfs/dbraw/zinc/59/99/86/868599986.db2.gz MEBNHUSTZOJUCU-UHFFFAOYSA-N 1 1 315.333 1.258 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164490618 869229322 /nfs/dbraw/zinc/22/93/22/869229322.db2.gz OEBSTKOKMRJVIU-ZIAGYGMSSA-N 1 1 318.377 1.123 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])c3nncn3c2)C1 ZINC001165290401 869498490 /nfs/dbraw/zinc/49/84/90/869498490.db2.gz SPTDNBHTWVVREL-NSHDSACASA-N 1 1 304.354 1.781 20 5 DDBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001340021300 870845540 /nfs/dbraw/zinc/84/55/40/870845540.db2.gz RTJBFQCCISPCDV-CHWSQXEVSA-N 1 1 322.413 1.038 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[N@@H+](C)CCO ZINC001217422691 877195470 /nfs/dbraw/zinc/19/54/70/877195470.db2.gz MHCAHZZFORRCLV-UHFFFAOYSA-N 1 1 324.381 1.599 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cccc1[N+](=O)[O-] ZINC001353285484 877228751 /nfs/dbraw/zinc/22/87/51/877228751.db2.gz NQVUXIRYFZSNKY-KGYLQXTDSA-N 1 1 319.361 1.673 20 5 DDBDMO COc1cc(CO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)cc([N+](=O)[O-])c1 ZINC001223395737 880945115 /nfs/dbraw/zinc/94/51/15/880945115.db2.gz JKQPXBQCYCSAAD-XZJROXQQSA-N 1 1 320.345 1.924 20 5 DDBDMO COC(=O)c1cccc(CO[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001223662786 881050418 /nfs/dbraw/zinc/05/04/18/881050418.db2.gz NIDPHJULPQINJZ-LBPRGKRZSA-N 1 1 308.334 1.992 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC001232304117 886226176 /nfs/dbraw/zinc/22/61/76/886226176.db2.gz VNCQDYDPAPGEDV-DFCLBCNGSA-N 1 1 301.346 1.818 20 5 DDBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC001232304117 886226197 /nfs/dbraw/zinc/22/61/97/886226197.db2.gz VNCQDYDPAPGEDV-DFCLBCNGSA-N 1 1 301.346 1.818 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001291881663 913591344 /nfs/dbraw/zinc/59/13/44/913591344.db2.gz DKWQVWFUMBYDOV-LLVKDONJSA-N 1 1 311.769 1.859 20 5 DDBDMO [NH3+]C[C@@]1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580886 896513658 /nfs/dbraw/zinc/51/36/58/896513658.db2.gz HTTVOUBZSLYYPJ-DOTOQJQBSA-N 1 1 316.405 1.075 20 5 DDBDMO CCN1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610653 896531489 /nfs/dbraw/zinc/53/14/89/896531489.db2.gz MGUOIRDTPNIZHY-INMHGKMJSA-N 1 1 301.390 1.946 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)n1 ZINC000248684921 282099384 /nfs/dbraw/zinc/09/93/84/282099384.db2.gz YSHDXJJSJXCBME-NEPJUHHUSA-N 1 1 323.397 1.614 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000305706018 231023003 /nfs/dbraw/zinc/02/30/03/231023003.db2.gz CVNOBPXPYNZQAL-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000305706018 231023007 /nfs/dbraw/zinc/02/30/07/231023007.db2.gz CVNOBPXPYNZQAL-ABAIWWIYSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@H]([N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357592 231075846 /nfs/dbraw/zinc/07/58/46/231075846.db2.gz DPHARPFYCGAPOD-AAEUAGOBSA-N 1 1 312.366 1.426 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451624712 231141365 /nfs/dbraw/zinc/14/13/65/231141365.db2.gz BADDLCDEHNSWDT-SLEUVZQESA-N 1 1 318.377 1.558 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452126066 231311813 /nfs/dbraw/zinc/31/18/13/231311813.db2.gz TZIQTMRWBLGYAA-UONOGXRCSA-N 1 1 324.377 1.429 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000452136577 231317478 /nfs/dbraw/zinc/31/74/78/231317478.db2.gz YQCLSYJKYKSVJB-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO CCOc1cc(CN2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000452136578 231318176 /nfs/dbraw/zinc/31/81/76/231318176.db2.gz YQCLSYJKYKSVJB-ZDUSSCGKSA-N 1 1 323.393 1.492 20 5 DDBDMO CC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295667514 529504076 /nfs/dbraw/zinc/50/40/76/529504076.db2.gz IWYBJCHZDZRHNW-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1(C)C ZINC000090550316 185302542 /nfs/dbraw/zinc/30/25/42/185302542.db2.gz SVLIWMZTHGHALV-UONOGXRCSA-N 1 1 323.393 1.892 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425061296 529822236 /nfs/dbraw/zinc/82/22/36/529822236.db2.gz YQSQONVHIBCBRA-DZGCQCFKSA-N 1 1 303.362 1.690 20 5 DDBDMO C[N@@H+](CCCCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000413344367 529884216 /nfs/dbraw/zinc/88/42/16/529884216.db2.gz CHVRACCCUPAGKS-UHFFFAOYSA-N 1 1 307.354 1.375 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000305358540 529984211 /nfs/dbraw/zinc/98/42/11/529984211.db2.gz SOPUEKVHUQRGKX-GXTWGEPZSA-N 1 1 307.350 1.287 20 5 DDBDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000458184805 530054442 /nfs/dbraw/zinc/05/44/42/530054442.db2.gz JUXMVEIUOXWDHD-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000279671851 215049606 /nfs/dbraw/zinc/04/96/06/215049606.db2.gz DLYXIGJOPYGWIV-STQMWFEESA-N 1 1 309.366 1.382 20 5 DDBDMO CON1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000459572430 233324049 /nfs/dbraw/zinc/32/40/49/233324049.db2.gz AKJWHUBVCPXUHN-UHFFFAOYSA-N 1 1 309.366 1.931 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000617405652 363090573 /nfs/dbraw/zinc/09/05/73/363090573.db2.gz JAEFVYIGTQDJIQ-NSHDSACASA-N 1 1 307.354 1.025 20 5 DDBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[N@@H+](C)C1CC1 ZINC000287240716 219399889 /nfs/dbraw/zinc/39/98/89/219399889.db2.gz WVQCSJPBBLCQRZ-UHFFFAOYSA-N 1 1 320.393 1.873 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046992558 352474433 /nfs/dbraw/zinc/47/44/33/352474433.db2.gz HYJWIIMMGVFQRA-DZGCQCFKSA-N 1 1 303.362 1.880 20 5 DDBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000047263223 352487917 /nfs/dbraw/zinc/48/79/17/352487917.db2.gz VHIUNRUBWNUNIC-UHFFFAOYSA-N 1 1 322.365 1.300 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c1C ZINC000053686179 352664529 /nfs/dbraw/zinc/66/45/29/352664529.db2.gz WNAIZIQVCNJWIP-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)c1C ZINC000053686179 352664533 /nfs/dbraw/zinc/66/45/33/352664533.db2.gz WNAIZIQVCNJWIP-NSHDSACASA-N 1 1 313.379 1.194 20 5 DDBDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000060379794 352870089 /nfs/dbraw/zinc/87/00/89/352870089.db2.gz GGPJQHLKMYIGBW-CQSZACIVSA-N 1 1 312.391 1.646 20 5 DDBDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000060379794 352870090 /nfs/dbraw/zinc/87/00/90/352870090.db2.gz GGPJQHLKMYIGBW-CQSZACIVSA-N 1 1 312.391 1.646 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067190631 353037918 /nfs/dbraw/zinc/03/79/18/353037918.db2.gz OTTWDBFKTKDXPL-UHFFFAOYSA-N 1 1 321.333 1.144 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068121332 353090106 /nfs/dbraw/zinc/09/01/06/353090106.db2.gz HPBFNSLFFWLSGP-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO C[C@@H]1COCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926352 234284997 /nfs/dbraw/zinc/28/49/97/234284997.db2.gz CUZOQUDSTBRKHI-JSGCOSHPSA-N 1 1 310.350 1.303 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000075675353 353375864 /nfs/dbraw/zinc/37/58/64/353375864.db2.gz LCKZXHWNLNPITC-HOCLYGCPSA-N 1 1 316.361 1.642 20 5 DDBDMO CN(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc[nH+]1 ZINC000345043289 282905849 /nfs/dbraw/zinc/90/58/49/282905849.db2.gz GTQOWWYJGQOKQW-UHFFFAOYSA-N 1 1 301.306 1.890 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000174665986 198367527 /nfs/dbraw/zinc/36/75/27/198367527.db2.gz KKXOCHSZMFCZEN-HNNXBMFYSA-N 1 1 317.349 1.212 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)C1 ZINC000174709324 198373513 /nfs/dbraw/zinc/37/35/13/198373513.db2.gz YWOKRBUYPRRXHM-NSHDSACASA-N 1 1 323.349 1.246 20 5 DDBDMO CN(C)C(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000174833663 198391080 /nfs/dbraw/zinc/39/10/80/198391080.db2.gz IWIMNWWRMSODNO-AWEZNQCLSA-N 1 1 317.349 1.210 20 5 DDBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[N+](=O)[O-] ZINC000174818487 198389875 /nfs/dbraw/zinc/38/98/75/198389875.db2.gz IAZSTTROTQNYMO-UHFFFAOYSA-N 1 1 305.294 1.832 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[N+](=O)[O-] ZINC000174818487 198389877 /nfs/dbraw/zinc/38/98/77/198389877.db2.gz IAZSTTROTQNYMO-UHFFFAOYSA-N 1 1 305.294 1.832 20 5 DDBDMO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCOCC1 ZINC000080530418 353613663 /nfs/dbraw/zinc/61/36/63/353613663.db2.gz MLMFDNLVXCPROO-UHFFFAOYSA-N 1 1 309.366 1.875 20 5 DDBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141334278 354139408 /nfs/dbraw/zinc/13/94/08/354139408.db2.gz QPGTWFYDGVCWEJ-ZDUSSCGKSA-N 1 1 318.377 1.703 20 5 DDBDMO Nc1c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000141454064 354140416 /nfs/dbraw/zinc/14/04/16/354140416.db2.gz HBJNVCXFCWWYPV-NSHDSACASA-N 1 1 322.340 1.626 20 5 DDBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157105094 354223853 /nfs/dbraw/zinc/22/38/53/354223853.db2.gz SINQPIQYFFDDFG-ZFWWWQNUSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](O)C[C@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157105094 354223857 /nfs/dbraw/zinc/22/38/57/354223857.db2.gz SINQPIQYFFDDFG-ZFWWWQNUSA-N 1 1 324.377 1.835 20 5 DDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000157515131 354224977 /nfs/dbraw/zinc/22/49/77/354224977.db2.gz GGKZTTCZVMWCFS-TVQRCGJNSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000157515131 354224980 /nfs/dbraw/zinc/22/49/80/354224980.db2.gz GGKZTTCZVMWCFS-TVQRCGJNSA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000313271203 354478990 /nfs/dbraw/zinc/47/89/90/354478990.db2.gz BABQZQHAUXVISV-PRHODGIISA-N 1 1 302.327 1.399 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)[C@@H]2C1 ZINC000585779643 354839787 /nfs/dbraw/zinc/83/97/87/354839787.db2.gz HPHVDOBKSKGTAJ-IINYFYTJSA-N 1 1 306.366 1.200 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000589495777 354996229 /nfs/dbraw/zinc/99/62/29/354996229.db2.gz LWPMAFMIKQRKIA-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](OC)C2)c1 ZINC000589495777 354996231 /nfs/dbraw/zinc/99/62/31/354996231.db2.gz LWPMAFMIKQRKIA-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000589513654 354998097 /nfs/dbraw/zinc/99/80/97/354998097.db2.gz MSXGCLICYXPXED-CQSZACIVSA-N 1 1 322.361 1.974 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000589513654 354998101 /nfs/dbraw/zinc/99/81/01/354998101.db2.gz MSXGCLICYXPXED-CQSZACIVSA-N 1 1 322.361 1.974 20 5 DDBDMO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000589737694 355017662 /nfs/dbraw/zinc/01/76/62/355017662.db2.gz VTBVOQVAVBQSDQ-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000589737694 355017664 /nfs/dbraw/zinc/01/76/64/355017664.db2.gz VTBVOQVAVBQSDQ-CYBMUJFWSA-N 1 1 308.334 1.992 20 5 DDBDMO O=[N+]([O-])c1c(N2CC(C[NH+]3CCOCC3)C2)nc2sccn21 ZINC000590568517 355115622 /nfs/dbraw/zinc/11/56/22/355115622.db2.gz ZCAXAKOPCAKVPH-UHFFFAOYSA-N 1 1 323.378 1.072 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590443744 355097832 /nfs/dbraw/zinc/09/78/32/355097832.db2.gz GYHRDEWGBRZYHY-MFKMUULPSA-N 1 1 305.334 1.380 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](CCCO)C1)OCCO2 ZINC000590663760 355140122 /nfs/dbraw/zinc/14/01/22/355140122.db2.gz CWIJRBZSRBDYAU-GFCCVEGCSA-N 1 1 322.361 1.960 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000591144261 355253873 /nfs/dbraw/zinc/25/38/73/355253873.db2.gz BVWRVCXXLKFITN-OLZOCXBDSA-N 1 1 310.329 1.164 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209142 355539520 /nfs/dbraw/zinc/53/95/20/355539520.db2.gz VKGULDRGKUIRCK-YRGRVCCFSA-N 1 1 322.361 1.820 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593065150 355784952 /nfs/dbraw/zinc/78/49/52/355784952.db2.gz YAVSHMWGQFVLHK-AEGPPILISA-N 1 1 324.377 1.834 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593065150 355784954 /nfs/dbraw/zinc/78/49/54/355784954.db2.gz YAVSHMWGQFVLHK-AEGPPILISA-N 1 1 324.377 1.834 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)n1 ZINC000593188905 355821335 /nfs/dbraw/zinc/82/13/35/355821335.db2.gz FGIUHUPMZOOEGL-GMTAPVOTSA-N 1 1 309.370 1.364 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)n1 ZINC000593188905 355821339 /nfs/dbraw/zinc/82/13/39/355821339.db2.gz FGIUHUPMZOOEGL-GMTAPVOTSA-N 1 1 309.370 1.364 20 5 DDBDMO Cc1cc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594079908 356107476 /nfs/dbraw/zinc/10/74/76/356107476.db2.gz CEFFMHRGQYYGQJ-QWHCGFSZSA-N 1 1 320.349 1.186 20 5 DDBDMO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000594103101 356114420 /nfs/dbraw/zinc/11/44/20/356114420.db2.gz VUHHPDKPSKOMFG-JGZJWPJOSA-N 1 1 317.349 1.541 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594017222 356089230 /nfs/dbraw/zinc/08/92/30/356089230.db2.gz VQWCGWKJPHVLBY-UONOGXRCSA-N 1 1 324.377 1.571 20 5 DDBDMO CCC[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000346663082 283141922 /nfs/dbraw/zinc/14/19/22/283141922.db2.gz WHJPUWXPYCZPJB-ZDUSSCGKSA-N 1 1 308.382 1.927 20 5 DDBDMO NC(=O)c1ccnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594596963 356260265 /nfs/dbraw/zinc/26/02/65/356260265.db2.gz BPNWVDFWHOWSND-NWDGAFQWSA-N 1 1 319.365 1.518 20 5 DDBDMO Cc1noc(C[NH+]2CCC(Cn3ccnn3)CC2)c1[N+](=O)[O-] ZINC000595394634 356476633 /nfs/dbraw/zinc/47/66/33/356476633.db2.gz FHGAPAVBYPRISI-UHFFFAOYSA-N 1 1 306.326 1.395 20 5 DDBDMO Cc1noc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1[N+](=O)[O-] ZINC000595504303 356521695 /nfs/dbraw/zinc/52/16/95/356521695.db2.gz BJGSSFBCARTKRR-ZIAGYGMSSA-N 1 1 311.338 1.301 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595740199 356629967 /nfs/dbraw/zinc/62/99/67/356629967.db2.gz DFTCKFNHQOIWSC-ATCWAGBWSA-N 1 1 321.377 1.872 20 5 DDBDMO C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595766814 356643588 /nfs/dbraw/zinc/64/35/88/356643588.db2.gz RCGOOCFTOXKNDC-BXUZGUMPSA-N 1 1 307.350 1.403 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756575 356638869 /nfs/dbraw/zinc/63/88/69/356638869.db2.gz INLVSUZANAVPJS-BLLLJJGKSA-N 1 1 319.361 1.689 20 5 DDBDMO NC(=O)c1cc(N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596118909 356780026 /nfs/dbraw/zinc/78/00/26/356780026.db2.gz GHBNKOQQOLPNDN-LBPRGKRZSA-N 1 1 304.350 1.590 20 5 DDBDMO Cc1cccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596539728 356911442 /nfs/dbraw/zinc/91/14/42/356911442.db2.gz QCLBNRYSUXSULP-AWEZNQCLSA-N 1 1 305.378 1.939 20 5 DDBDMO C[NH+](C)CC1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000597708806 357296066 /nfs/dbraw/zinc/29/60/66/357296066.db2.gz ORQKQMWJLCPQFR-UHFFFAOYSA-N 1 1 303.322 1.105 20 5 DDBDMO CCN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598044188 357440704 /nfs/dbraw/zinc/44/07/04/357440704.db2.gz ZPPHRLJVXGRLSA-AWEZNQCLSA-N 1 1 321.377 1.916 20 5 DDBDMO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598512410 357611210 /nfs/dbraw/zinc/61/12/10/357611210.db2.gz ZNURWOUXRHXRJB-CYBMUJFWSA-N 1 1 314.345 1.927 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000598512410 357611214 /nfs/dbraw/zinc/61/12/14/357611214.db2.gz ZNURWOUXRHXRJB-CYBMUJFWSA-N 1 1 314.345 1.927 20 5 DDBDMO CCC[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598586915 357641877 /nfs/dbraw/zinc/64/18/77/357641877.db2.gz KUTRHYCEDCWKCL-UHFFFAOYSA-N 1 1 308.338 1.308 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647067 357668733 /nfs/dbraw/zinc/66/87/33/357668733.db2.gz BPUSHZBFEBCPKL-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647067 357668740 /nfs/dbraw/zinc/66/87/40/357668740.db2.gz BPUSHZBFEBCPKL-WCQYABFASA-N 1 1 321.377 1.792 20 5 DDBDMO O=C(CCCC[NH+]1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000171766853 306684695 /nfs/dbraw/zinc/68/46/95/306684695.db2.gz ZNXRBWRXZJZVAC-UHFFFAOYSA-N 1 1 321.377 1.714 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599927889 358082699 /nfs/dbraw/zinc/08/26/99/358082699.db2.gz AEZDZEWFEXQUTO-UHFFFAOYSA-N 1 1 302.334 1.801 20 5 DDBDMO COC(=O)c1cnc(NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000276696767 213051725 /nfs/dbraw/zinc/05/17/25/213051725.db2.gz HRSBGOOVDWQPFJ-UHFFFAOYSA-N 1 1 306.322 1.450 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000180678614 199194820 /nfs/dbraw/zinc/19/48/20/199194820.db2.gz WIIACURGFWAKFY-UHFFFAOYSA-N 1 1 304.350 1.345 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601101229 358402708 /nfs/dbraw/zinc/40/27/08/358402708.db2.gz UPIAJOCKLFIRBA-GFCCVEGCSA-N 1 1 312.345 1.898 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](CO)[C@@H]3CCOC3)c2c1 ZINC000601159133 358426932 /nfs/dbraw/zinc/42/69/32/358426932.db2.gz HRMJCTSXDCRKGS-NEPJUHHUSA-N 1 1 317.345 1.622 20 5 DDBDMO CC[C@@H]1[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000601382719 358527804 /nfs/dbraw/zinc/52/78/04/358527804.db2.gz GJILKHQIBJOESC-LSDHHAIUSA-N 1 1 305.378 1.984 20 5 DDBDMO COc1cc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])ccc1O ZINC000602771218 359179551 /nfs/dbraw/zinc/17/95/51/359179551.db2.gz ABCXWAGEPOIRPQ-UHFFFAOYSA-N 1 1 320.349 1.946 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000602869605 359254171 /nfs/dbraw/zinc/25/41/71/359254171.db2.gz MEUOZPZPTKKOEK-GFCCVEGCSA-N 1 1 316.365 1.905 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000602796895 359199406 /nfs/dbraw/zinc/19/94/06/359199406.db2.gz UFYWZRMHBVPWPM-MGPQQGTHSA-N 1 1 324.381 1.368 20 5 DDBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000602796895 359199408 /nfs/dbraw/zinc/19/94/08/359199408.db2.gz UFYWZRMHBVPWPM-MGPQQGTHSA-N 1 1 324.381 1.368 20 5 DDBDMO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cn1 ZINC000602919855 359295073 /nfs/dbraw/zinc/29/50/73/359295073.db2.gz XOVOYCAYBWCFOS-AWEZNQCLSA-N 1 1 317.349 1.973 20 5 DDBDMO COC[C@@](C)(CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000602933669 359303553 /nfs/dbraw/zinc/30/35/53/359303553.db2.gz WIYXWXQSVCACJX-CYBMUJFWSA-N 1 1 302.302 1.230 20 5 DDBDMO CO[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602963636 359326873 /nfs/dbraw/zinc/32/68/73/359326873.db2.gz HPSSJNDNLGQSAH-IUODEOHRSA-N 1 1 310.350 1.445 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000604264294 359731174 /nfs/dbraw/zinc/73/11/74/359731174.db2.gz CWNNYIHMUXOFPA-LBPRGKRZSA-N 1 1 322.365 1.250 20 5 DDBDMO C[C@](C[NH3+])(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000237613420 202303557 /nfs/dbraw/zinc/30/35/57/202303557.db2.gz PTNGKAQLVAAWBN-CQSZACIVSA-N 1 1 303.322 1.328 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189572941 200424054 /nfs/dbraw/zinc/42/40/54/200424054.db2.gz OQOOYPUHRYIPNQ-ZIAGYGMSSA-N 1 1 307.394 1.524 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)CCc2ccccc2)n1 ZINC000610485240 360448871 /nfs/dbraw/zinc/44/88/71/360448871.db2.gz YKNSNWXNBKBKJB-UHFFFAOYSA-N 1 1 304.350 1.328 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610580815 360476063 /nfs/dbraw/zinc/47/60/63/360476063.db2.gz NJEMIZQZBXWWPK-SECBINFHSA-N 1 1 304.306 1.433 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610580815 360476067 /nfs/dbraw/zinc/47/60/67/360476067.db2.gz NJEMIZQZBXWWPK-SECBINFHSA-N 1 1 304.306 1.433 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712471 360512416 /nfs/dbraw/zinc/51/24/16/360512416.db2.gz BWNUIPZHLWDQTB-ZWNOBZJWSA-N 1 1 321.381 1.125 20 5 DDBDMO CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000610922098 360572342 /nfs/dbraw/zinc/57/23/42/360572342.db2.gz ANARYLPPRVJBAZ-LLVKDONJSA-N 1 1 323.397 1.998 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610808455 360541947 /nfs/dbraw/zinc/54/19/47/360541947.db2.gz SOCHJZGXYXZZBC-LLVKDONJSA-N 1 1 324.406 1.399 20 5 DDBDMO COCCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293082140 223387378 /nfs/dbraw/zinc/38/73/78/223387378.db2.gz JVNRSCZJEROLOE-UHFFFAOYSA-N 1 1 321.377 1.779 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261902504 203147585 /nfs/dbraw/zinc/14/75/85/203147585.db2.gz GQXFJRPPJZSNQN-OAHLLOKOSA-N 1 1 312.329 1.777 20 5 DDBDMO Cc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000262112370 203202596 /nfs/dbraw/zinc/20/25/96/203202596.db2.gz AYXSCLZBZCADJH-NWDGAFQWSA-N 1 1 315.333 1.193 20 5 DDBDMO CNS(=O)(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000264689166 204082069 /nfs/dbraw/zinc/08/20/69/204082069.db2.gz DHKMXBMPOSEHMM-UHFFFAOYSA-N 1 1 313.379 1.108 20 5 DDBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266114860 205108201 /nfs/dbraw/zinc/10/82/01/205108201.db2.gz NMUUKBJABDELDK-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266416825 205331554 /nfs/dbraw/zinc/33/15/54/205331554.db2.gz HORHLHQYLUZQQV-ABAIWWIYSA-N 1 1 322.340 1.984 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174700838 248376066 /nfs/dbraw/zinc/37/60/66/248376066.db2.gz WQYCPTPBACKFJC-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000174700838 248376072 /nfs/dbraw/zinc/37/60/72/248376072.db2.gz WQYCPTPBACKFJC-QWRGUYRKSA-N 1 1 323.349 1.245 20 5 DDBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174860225 248384200 /nfs/dbraw/zinc/38/42/00/248384200.db2.gz NUVNTLBBUXAJDB-ZDUSSCGKSA-N 1 1 309.370 1.124 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000288581051 220257790 /nfs/dbraw/zinc/25/77/90/220257790.db2.gz XKLYLDVHCATHNB-CYBMUJFWSA-N 1 1 321.377 1.690 20 5 DDBDMO CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000285244895 218349453 /nfs/dbraw/zinc/34/94/53/218349453.db2.gz CARKFRSAMJYRSB-UPJWGTAASA-N 1 1 310.350 1.444 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000076491653 207352096 /nfs/dbraw/zinc/35/20/96/207352096.db2.gz YIPSKNDDUFMRJG-TZMCWYRMSA-N 1 1 323.397 1.370 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000119602936 195000410 /nfs/dbraw/zinc/00/04/10/195000410.db2.gz JRWTUNNUOYEPFO-UHFFFAOYSA-N 1 1 314.345 1.921 20 5 DDBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413118435 224137687 /nfs/dbraw/zinc/13/76/87/224137687.db2.gz UHIYOPGFVZKXGO-UHFFFAOYSA-N 1 1 322.287 1.999 20 5 DDBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000156764676 197138503 /nfs/dbraw/zinc/13/85/03/197138503.db2.gz DMQOJWQXFFRMFD-GFCCVEGCSA-N 1 1 324.381 1.845 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293037207 533327851 /nfs/dbraw/zinc/32/78/51/533327851.db2.gz GSXKKSCTWHLNOF-FZMZJTMJSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](O)CC1 ZINC000293037207 533327857 /nfs/dbraw/zinc/32/78/57/533327857.db2.gz GSXKKSCTWHLNOF-FZMZJTMJSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330795645 533404077 /nfs/dbraw/zinc/40/40/77/533404077.db2.gz WZYZPHSOXNFTTL-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330795645 533404079 /nfs/dbraw/zinc/40/40/79/533404079.db2.gz WZYZPHSOXNFTTL-PHIMTYICSA-N 1 1 307.350 1.768 20 5 DDBDMO CCc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000568881608 304319191 /nfs/dbraw/zinc/31/91/91/304319191.db2.gz LVWFFJXZKQJGRB-UHFFFAOYSA-N 1 1 323.321 1.030 20 5 DDBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068084872 406615423 /nfs/dbraw/zinc/61/54/23/406615423.db2.gz SBVRZFAHHBLQLI-CYBMUJFWSA-N 1 1 323.397 1.562 20 5 DDBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000013693508 406865610 /nfs/dbraw/zinc/86/56/10/406865610.db2.gz DKBYGTFNLJQHQH-UHFFFAOYSA-N 1 1 315.333 1.291 20 5 DDBDMO Cn1cnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000090969440 407173074 /nfs/dbraw/zinc/17/30/74/407173074.db2.gz KULSMNZTVQZSLG-ZDUSSCGKSA-N 1 1 301.350 1.834 20 5 DDBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107691360 407378217 /nfs/dbraw/zinc/37/82/17/407378217.db2.gz SHGDFBZQJXMXSR-LLVKDONJSA-N 1 1 307.350 1.552 20 5 DDBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000124783212 407369449 /nfs/dbraw/zinc/36/94/49/407369449.db2.gz WUNBXJXWDKQGOB-PHIMTYICSA-N 1 1 311.363 1.110 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863305 407471869 /nfs/dbraw/zinc/47/18/69/407471869.db2.gz GJQNSQADNRSFSJ-MNOVXSKESA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863305 407471873 /nfs/dbraw/zinc/47/18/73/407471873.db2.gz GJQNSQADNRSFSJ-MNOVXSKESA-N 1 1 323.397 1.825 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000127863305 407471880 /nfs/dbraw/zinc/47/18/80/407471880.db2.gz GJQNSQADNRSFSJ-MNOVXSKESA-N 1 1 323.397 1.825 20 5 DDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185725334 407488827 /nfs/dbraw/zinc/48/88/27/407488827.db2.gz ULPXXBLXQSENTR-ONGXEEELSA-N 1 1 308.338 1.108 20 5 DDBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185774902 407500373 /nfs/dbraw/zinc/50/03/73/407500373.db2.gz SLAFDLLXCGXMLA-NSHDSACASA-N 1 1 313.379 1.215 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271087334 407507211 /nfs/dbraw/zinc/50/72/11/407507211.db2.gz HHESQRVOXDFPQW-LBPRGKRZSA-N 1 1 323.397 1.570 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000112928607 407450034 /nfs/dbraw/zinc/45/00/34/407450034.db2.gz PXJMZTROGTXMLL-UHFFFAOYSA-N 1 1 309.366 1.820 20 5 DDBDMO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270985689 407451750 /nfs/dbraw/zinc/45/17/50/407451750.db2.gz XSKFXBVGHSWZGK-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270985689 407451757 /nfs/dbraw/zinc/45/17/57/407451757.db2.gz XSKFXBVGHSWZGK-MISXGVKJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[NH+](C)C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000114148410 407544469 /nfs/dbraw/zinc/54/44/69/407544469.db2.gz ITIASNJQADYCOP-SNVBAGLBSA-N 1 1 317.349 1.495 20 5 DDBDMO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000114140985 407544965 /nfs/dbraw/zinc/54/49/65/407544965.db2.gz JXTPSNHKTDHTHQ-ZDUSSCGKSA-N 1 1 320.393 1.208 20 5 DDBDMO Cc1nn(C)c(N2CCN(c3cc(C)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000153035193 407741456 /nfs/dbraw/zinc/74/14/56/407741456.db2.gz LLCNVZHXHRYFHY-UHFFFAOYSA-N 1 1 316.365 1.667 20 5 DDBDMO COc1ccc(NC(=O)C[N@H+](C)CCSC)c([N+](=O)[O-])c1 ZINC000134200876 407890653 /nfs/dbraw/zinc/89/06/53/407890653.db2.gz RMHYFYXYLAOPHO-UHFFFAOYSA-N 1 1 313.379 1.837 20 5 DDBDMO COc1ccc(NC(=O)C[N@@H+](C)CCSC)c([N+](=O)[O-])c1 ZINC000134200876 407890659 /nfs/dbraw/zinc/89/06/59/407890659.db2.gz RMHYFYXYLAOPHO-UHFFFAOYSA-N 1 1 313.379 1.837 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135975 407907411 /nfs/dbraw/zinc/90/74/11/407907411.db2.gz CIGUGXFLKUAGKB-RNCFNFMXSA-N 1 1 304.350 1.390 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272527315 407964442 /nfs/dbraw/zinc/96/44/42/407964442.db2.gz IAQOFUNTCFSODX-OLZOCXBDSA-N 1 1 321.377 1.935 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135639872 408045320 /nfs/dbraw/zinc/04/53/20/408045320.db2.gz QRNGTJVLKXUFDS-UHFFFAOYSA-N 1 1 322.361 1.855 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135639872 408045332 /nfs/dbraw/zinc/04/53/32/408045332.db2.gz QRNGTJVLKXUFDS-UHFFFAOYSA-N 1 1 322.361 1.855 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000182256727 408105632 /nfs/dbraw/zinc/10/56/32/408105632.db2.gz NZUIBEWWRDPCIU-YDHLFZDLSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000121239746 408168173 /nfs/dbraw/zinc/16/81/73/408168173.db2.gz KRXSLTVHWKYVIE-OLZOCXBDSA-N 1 1 321.377 1.772 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)C1 ZINC000122202441 408266470 /nfs/dbraw/zinc/26/64/70/408266470.db2.gz MBYFPFNQUPBATB-ZDUSSCGKSA-N 1 1 321.377 1.936 20 5 DDBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269475173 408322361 /nfs/dbraw/zinc/32/23/61/408322361.db2.gz VADLOVBIBFEREC-JTQLQIEISA-N 1 1 311.386 1.901 20 5 DDBDMO NC(=O)c1ccc(C[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182915965 408283110 /nfs/dbraw/zinc/28/31/10/408283110.db2.gz KHORAWIKOZHTAY-CQSZACIVSA-N 1 1 315.329 1.517 20 5 DDBDMO C[C@@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195805 408349068 /nfs/dbraw/zinc/34/90/68/408349068.db2.gz CMCIEMWMFLZBEV-QJPTWQEYSA-N 1 1 307.350 1.625 20 5 DDBDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cnn1C ZINC000183364850 408390288 /nfs/dbraw/zinc/39/02/88/408390288.db2.gz DGMNLZZLNSFPHB-VIFPVBQESA-N 1 1 317.349 1.586 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000264283056 408425820 /nfs/dbraw/zinc/42/58/20/408425820.db2.gz ZEJNRIFMPMWQFI-UHFFFAOYSA-N 1 1 303.322 1.420 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000183952697 408517990 /nfs/dbraw/zinc/51/79/90/408517990.db2.gz OSAGBQAFIAUWSK-UHFFFAOYSA-N 1 1 323.393 1.564 20 5 DDBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390009 408462068 /nfs/dbraw/zinc/46/20/68/408462068.db2.gz QIDCXTLBTPEKTI-TZMCWYRMSA-N 1 1 305.378 1.982 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000247382256 408463033 /nfs/dbraw/zinc/46/30/33/408463033.db2.gz LMOXTLVGWZTGPC-QMTHXVAHSA-N 1 1 306.366 1.710 20 5 DDBDMO Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176889806 408466441 /nfs/dbraw/zinc/46/64/41/408466441.db2.gz AFVKODSKOHYMTD-NSHDSACASA-N 1 1 306.366 1.652 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275543106 408595875 /nfs/dbraw/zinc/59/58/75/408595875.db2.gz ZFKCGJCLFBREOE-WFASDCNBSA-N 1 1 324.377 1.427 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000193590278 408732130 /nfs/dbraw/zinc/73/21/30/408732130.db2.gz DKKRQMDZXYVUQJ-SNVBAGLBSA-N 1 1 317.349 1.869 20 5 DDBDMO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1O ZINC000249566284 408742956 /nfs/dbraw/zinc/74/29/56/408742956.db2.gz NCLSMCTVUJXNSN-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1O ZINC000249566284 408742962 /nfs/dbraw/zinc/74/29/62/408742962.db2.gz NCLSMCTVUJXNSN-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000185282293 408791252 /nfs/dbraw/zinc/79/12/52/408791252.db2.gz GIVDQGOSDFMJNS-UHFFFAOYSA-N 1 1 306.366 1.830 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1O ZINC000249585228 408746354 /nfs/dbraw/zinc/74/63/54/408746354.db2.gz SRJKWAIKGGPKBG-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1O ZINC000249585228 408746357 /nfs/dbraw/zinc/74/63/57/408746357.db2.gz SRJKWAIKGGPKBG-IAQYHMDHSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000270932650 408746765 /nfs/dbraw/zinc/74/67/65/408746765.db2.gz QIWAYYPVQJQEHU-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1O ZINC000270932650 408746771 /nfs/dbraw/zinc/74/67/71/408746771.db2.gz QIWAYYPVQJQEHU-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO COCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162998561 408750856 /nfs/dbraw/zinc/75/08/56/408750856.db2.gz NUOXWJGLPMXQFW-UHFFFAOYSA-N 1 1 322.365 1.699 20 5 DDBDMO CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000270942883 408752413 /nfs/dbraw/zinc/75/24/13/408752413.db2.gz RSFKXYPVNIOLCV-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1O ZINC000270942883 408752418 /nfs/dbraw/zinc/75/24/18/408752418.db2.gz RSFKXYPVNIOLCV-GXFFZTMASA-N 1 1 318.333 1.848 20 5 DDBDMO O=C(CC[N@H+](CCO)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185182207 408776529 /nfs/dbraw/zinc/77/65/29/408776529.db2.gz PLEWKHZPVLMNFB-UHFFFAOYSA-N 1 1 311.313 1.519 20 5 DDBDMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185183433 408777131 /nfs/dbraw/zinc/77/71/31/408777131.db2.gz NWUZMFDDRQWAGM-QWRGUYRKSA-N 1 1 309.341 1.905 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000277598573 408973845 /nfs/dbraw/zinc/97/38/45/408973845.db2.gz TYSQBFBYEIGVPS-NSHDSACASA-N 1 1 307.354 1.075 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)CO ZINC000295180798 409359939 /nfs/dbraw/zinc/35/99/39/409359939.db2.gz HYOOTIZFPBBLHL-UHFFFAOYSA-N 1 1 321.377 1.434 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)CO ZINC000295180798 409359944 /nfs/dbraw/zinc/35/99/44/409359944.db2.gz HYOOTIZFPBBLHL-UHFFFAOYSA-N 1 1 321.377 1.434 20 5 DDBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C(C)(C)C1 ZINC000284561060 409347100 /nfs/dbraw/zinc/34/71/00/409347100.db2.gz YHTGVWIRUUYNTM-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C(C)(C)C1 ZINC000284561060 409347108 /nfs/dbraw/zinc/34/71/08/409347108.db2.gz YHTGVWIRUUYNTM-UHFFFAOYSA-N 1 1 310.329 1.482 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@H]21 ZINC000408468100 164341370 /nfs/dbraw/zinc/34/13/70/164341370.db2.gz PXTXPFYWSKFFBI-RISCZKNCSA-N 1 1 314.345 1.852 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290704112 409492314 /nfs/dbraw/zinc/49/23/14/409492314.db2.gz WJXJMSMPFAAKNB-JTQLQIEISA-N 1 1 307.354 1.375 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000337933941 409581804 /nfs/dbraw/zinc/58/18/04/409581804.db2.gz FCPNSKGOAURJEX-UHFFFAOYSA-N 1 1 301.368 1.133 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000356843159 409654956 /nfs/dbraw/zinc/65/49/56/409654956.db2.gz GBLWLEUAMPODOX-QWHCGFSZSA-N 1 1 321.377 1.915 20 5 DDBDMO CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305052867 409663563 /nfs/dbraw/zinc/66/35/63/409663563.db2.gz NHUSBRMWLRWMLF-UKRRQHHQSA-N 1 1 310.398 1.910 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000357457082 410050949 /nfs/dbraw/zinc/05/09/49/410050949.db2.gz VAALKWLSJYAIDC-KBPBESRZSA-N 1 1 306.366 1.417 20 5 DDBDMO COc1ccc(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000332321988 410066528 /nfs/dbraw/zinc/06/65/28/410066528.db2.gz RORRSKDNHWUOAB-HOCLYGCPSA-N 1 1 321.377 1.508 20 5 DDBDMO C[N@H+]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000298687212 410346433 /nfs/dbraw/zinc/34/64/33/410346433.db2.gz WIBSWBRYXNWDLL-UHFFFAOYSA-N 1 1 317.349 1.782 20 5 DDBDMO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000351872240 410308508 /nfs/dbraw/zinc/30/85/08/410308508.db2.gz DBJVAWOZMMMICZ-ZDUSSCGKSA-N 1 1 314.349 1.775 20 5 DDBDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000351872240 410308517 /nfs/dbraw/zinc/30/85/17/410308517.db2.gz DBJVAWOZMMMICZ-ZDUSSCGKSA-N 1 1 314.349 1.775 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000358361129 410453451 /nfs/dbraw/zinc/45/34/51/410453451.db2.gz WGNGXKOOUJGUDA-OAHLLOKOSA-N 1 1 302.334 1.622 20 5 DDBDMO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](C)O ZINC000352232820 410564729 /nfs/dbraw/zinc/56/47/29/410564729.db2.gz WJQPJCRYFYEZNS-LLVKDONJSA-N 1 1 307.350 1.187 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000343583282 410553393 /nfs/dbraw/zinc/55/33/93/410553393.db2.gz YGRYMVDBIFJLKQ-CYBMUJFWSA-N 1 1 321.377 1.964 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000337248041 410671822 /nfs/dbraw/zinc/67/18/22/410671822.db2.gz KONCMRQUNNKDOP-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000337248041 410671826 /nfs/dbraw/zinc/67/18/26/410671826.db2.gz KONCMRQUNNKDOP-UHFFFAOYSA-N 1 1 303.322 1.779 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000301310488 410695091 /nfs/dbraw/zinc/69/50/91/410695091.db2.gz ZRFOBRKCJCYHBM-CQSZACIVSA-N 1 1 304.394 1.811 20 5 DDBDMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330579595 410794689 /nfs/dbraw/zinc/79/46/89/410794689.db2.gz SSSVTGSETKUBDF-UHFFFAOYSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340296754 410835243 /nfs/dbraw/zinc/83/52/43/410835243.db2.gz FZKXDSNZLRYZSP-CYBMUJFWSA-N 1 1 320.393 1.873 20 5 DDBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000341172772 410914154 /nfs/dbraw/zinc/91/41/54/410914154.db2.gz CKOAHZRXMCVRHE-ZDUSSCGKSA-N 1 1 318.377 1.673 20 5 DDBDMO COc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331053719 410921002 /nfs/dbraw/zinc/92/10/02/410921002.db2.gz JNVHOMPLGILSJB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331053719 410921008 /nfs/dbraw/zinc/92/10/08/410921008.db2.gz JNVHOMPLGILSJB-GHMZBOCLSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](C)[C@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000359884512 410934126 /nfs/dbraw/zinc/93/41/26/410934126.db2.gz WNXJSVILLBKUPY-OAHLLOKOSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](CN)C2CC2)cccc1[N+](=O)[O-] ZINC000359884512 410934132 /nfs/dbraw/zinc/93/41/32/410934132.db2.gz WNXJSVILLBKUPY-OAHLLOKOSA-N 1 1 320.393 1.901 20 5 DDBDMO Cc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201531 411014101 /nfs/dbraw/zinc/01/41/01/411014101.db2.gz QJKPRYYDDORZGF-QWHCGFSZSA-N 1 1 321.377 1.881 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331187877 411005952 /nfs/dbraw/zinc/00/59/52/411005952.db2.gz ZJLJNNODJLIZGI-GXTWGEPZSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000331187877 411005958 /nfs/dbraw/zinc/00/59/58/411005958.db2.gz ZJLJNNODJLIZGI-GXTWGEPZSA-N 1 1 324.377 1.834 20 5 DDBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000131399148 196165271 /nfs/dbraw/zinc/16/52/71/196165271.db2.gz JZIYPCPQEGUCOT-OAHLLOKOSA-N 1 1 321.377 1.562 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000419336573 226122558 /nfs/dbraw/zinc/12/25/58/226122558.db2.gz XHRUDGNGMWGPDC-KBPBESRZSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419336573 226122559 /nfs/dbraw/zinc/12/25/59/226122559.db2.gz XHRUDGNGMWGPDC-KBPBESRZSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000419336573 226122563 /nfs/dbraw/zinc/12/25/63/226122563.db2.gz XHRUDGNGMWGPDC-KBPBESRZSA-N 1 1 307.394 1.524 20 5 DDBDMO O=[N+]([O-])c1ncn(Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000421841236 226793224 /nfs/dbraw/zinc/79/32/24/226793224.db2.gz IKGSNSWZGDNKQF-UHFFFAOYSA-N 1 1 303.322 1.067 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188303926 222010658 /nfs/dbraw/zinc/01/06/58/222010658.db2.gz MWWAEHBMXCZTDL-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188303926 222010661 /nfs/dbraw/zinc/01/06/61/222010661.db2.gz MWWAEHBMXCZTDL-GFCCVEGCSA-N 1 1 322.365 1.434 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1[C@H]1CCCO1 ZINC000367724744 418627355 /nfs/dbraw/zinc/62/73/55/418627355.db2.gz HFQBKASWMWDLAD-BFHYXJOUSA-N 1 1 324.381 1.042 20 5 DDBDMO CO[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000361362293 418635211 /nfs/dbraw/zinc/63/52/11/418635211.db2.gz QYLQBQOUNRRICZ-CYBMUJFWSA-N 1 1 305.334 1.205 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000361362293 418635214 /nfs/dbraw/zinc/63/52/14/418635214.db2.gz QYLQBQOUNRRICZ-CYBMUJFWSA-N 1 1 305.334 1.205 20 5 DDBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000361364976 418636094 /nfs/dbraw/zinc/63/60/94/418636094.db2.gz CSLDUOQXZSMXOY-QWHCGFSZSA-N 1 1 324.381 1.080 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC1 ZINC000361579496 418683941 /nfs/dbraw/zinc/68/39/41/418683941.db2.gz WFJRXQIQUXCZLL-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC1 ZINC000361579496 418683942 /nfs/dbraw/zinc/68/39/42/418683942.db2.gz WFJRXQIQUXCZLL-LBPRGKRZSA-N 1 1 323.349 1.653 20 5 DDBDMO CCOc1cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361584684 418686323 /nfs/dbraw/zinc/68/63/23/418686323.db2.gz FXXXBGZECLMMND-OCCSQVGLSA-N 1 1 324.377 1.965 20 5 DDBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420933229 419365406 /nfs/dbraw/zinc/36/54/06/419365406.db2.gz FYGHRIPISSZYKS-FRRDWIJNSA-N 1 1 321.377 1.872 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](CC)O1 ZINC000420945689 419378564 /nfs/dbraw/zinc/37/85/64/419378564.db2.gz BFVXQEIQXYDMNX-OKILXGFUSA-N 1 1 309.366 1.646 20 5 DDBDMO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](CC)O1 ZINC000420945689 419378569 /nfs/dbraw/zinc/37/85/69/419378569.db2.gz BFVXQEIQXYDMNX-OKILXGFUSA-N 1 1 309.366 1.646 20 5 DDBDMO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000412079787 419633679 /nfs/dbraw/zinc/63/36/79/419633679.db2.gz NATDXKPYNVKAED-VNHYZAJKSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079909 419634716 /nfs/dbraw/zinc/63/47/16/419634716.db2.gz LKJRHFUZRYJXID-GXFFZTMASA-N 1 1 307.350 1.287 20 5 DDBDMO CNC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000412054417 419599552 /nfs/dbraw/zinc/59/95/52/419599552.db2.gz LUJBKMJRDAMHRX-UHFFFAOYSA-N 1 1 322.365 1.497 20 5 DDBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000421701038 419689175 /nfs/dbraw/zinc/68/91/75/419689175.db2.gz GRSJOKXTLBVZDW-LLVKDONJSA-N 1 1 309.370 1.079 20 5 DDBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000299354500 229069669 /nfs/dbraw/zinc/06/96/69/229069669.db2.gz NMWDSEGTQRPSBA-UHFFFAOYSA-N 1 1 319.361 1.670 20 5 DDBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC(F)(F)C[NH3+] ZINC000423325567 420014431 /nfs/dbraw/zinc/01/44/31/420014431.db2.gz LQGXIDWWZOCRAN-VIFPVBQESA-N 1 1 316.308 1.496 20 5 DDBDMO CC(=O)c1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418991940 420040190 /nfs/dbraw/zinc/04/01/90/420040190.db2.gz FFMVPCCEODGBFM-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418991940 420040192 /nfs/dbraw/zinc/04/01/92/420040192.db2.gz FFMVPCCEODGBFM-NWDGAFQWSA-N 1 1 321.377 1.689 20 5 DDBDMO Cc1c(NC(=O)CCN2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430603563 420155639 /nfs/dbraw/zinc/15/56/39/420155639.db2.gz NZHWVGUHCQFLOO-UHFFFAOYSA-N 1 1 306.366 1.655 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CN1 ZINC000434754425 420260836 /nfs/dbraw/zinc/26/08/36/420260836.db2.gz GCJZOSAXWFUMPN-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)CN1 ZINC000434754425 420260840 /nfs/dbraw/zinc/26/08/40/420260840.db2.gz GCJZOSAXWFUMPN-CQSZACIVSA-N 1 1 309.753 1.960 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423970377 420286734 /nfs/dbraw/zinc/28/67/34/420286734.db2.gz MPODFTZMXSAGAE-GFCCVEGCSA-N 1 1 318.358 1.838 20 5 DDBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498436 420394815 /nfs/dbraw/zinc/39/48/15/420394815.db2.gz XHHJLIYHAAYOQX-LLVKDONJSA-N 1 1 313.379 1.133 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450785967 420530729 /nfs/dbraw/zinc/53/07/29/420530729.db2.gz BZTJTUJPCCTTQK-PHIMTYICSA-N 1 1 312.757 1.918 20 5 DDBDMO CNC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450947099 420567122 /nfs/dbraw/zinc/56/71/22/420567122.db2.gz BALUAASOQXGORI-ZDUSSCGKSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492988044 420728872 /nfs/dbraw/zinc/72/88/72/420728872.db2.gz NPYRFTZVECOGRS-YBJDMEARSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492988044 420728875 /nfs/dbraw/zinc/72/88/75/420728875.db2.gz NPYRFTZVECOGRS-YBJDMEARSA-N 1 1 319.361 1.133 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657473 421050281 /nfs/dbraw/zinc/05/02/81/421050281.db2.gz MFEZJUZEXLUVAZ-MNOVXSKESA-N 1 1 319.365 1.340 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000449430235 421010331 /nfs/dbraw/zinc/01/03/31/421010331.db2.gz BVOPQTGUJLKBIW-BMFZPTHFSA-N 1 1 306.362 1.957 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000449518213 421019356 /nfs/dbraw/zinc/01/93/56/421019356.db2.gz NDFXXICYJBYOEQ-LBPRGKRZSA-N 1 1 307.350 1.704 20 5 DDBDMO [NH3+]CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)F ZINC000449612552 421038639 /nfs/dbraw/zinc/03/86/39/421038639.db2.gz MXCUSGYKMXGTCJ-SECBINFHSA-N 1 1 313.264 1.183 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000456006773 421088102 /nfs/dbraw/zinc/08/81/02/421088102.db2.gz CCMFUHDDPZHRBU-WDEREUQCSA-N 1 1 321.381 1.586 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450291519 421177894 /nfs/dbraw/zinc/17/78/94/421177894.db2.gz SQTJPOGJCSHKHB-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450291519 421177895 /nfs/dbraw/zinc/17/78/95/421177895.db2.gz SQTJPOGJCSHKHB-NSHDSACASA-N 1 1 302.334 1.886 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000546809471 421311684 /nfs/dbraw/zinc/31/16/84/421311684.db2.gz QRSHPSPOOGWVDJ-MRXNPFEDSA-N 1 1 319.361 1.331 20 5 DDBDMO CNc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524720577 421268045 /nfs/dbraw/zinc/26/80/45/421268045.db2.gz YRCCZXZAQNUHRW-LLVKDONJSA-N 1 1 306.366 1.708 20 5 DDBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000561810878 421335888 /nfs/dbraw/zinc/33/58/88/421335888.db2.gz MXYJRYNLZLEFMR-AOOOYVTPSA-N 1 1 309.370 1.191 20 5 DDBDMO COc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000548113393 421402135 /nfs/dbraw/zinc/40/21/35/421402135.db2.gz RTXYYHWVFOXTCD-UHFFFAOYSA-N 1 1 321.377 1.699 20 5 DDBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000562979039 421434559 /nfs/dbraw/zinc/43/45/59/421434559.db2.gz BHFOEECAPOTELQ-SNVBAGLBSA-N 1 1 303.240 1.413 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)n1 ZINC000548036722 421391698 /nfs/dbraw/zinc/39/16/98/421391698.db2.gz ASZNBFDRFLEBTO-ZDUSSCGKSA-N 1 1 322.409 1.888 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000515294554 421490025 /nfs/dbraw/zinc/49/00/25/421490025.db2.gz ZUWMWKRPIPYEPY-XHDPSFHLSA-N 1 1 319.361 1.770 20 5 DDBDMO COc1cc(C[N@H+](C)CCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000540910944 421775193 /nfs/dbraw/zinc/77/51/93/421775193.db2.gz MYXUMZZOUYWICB-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO COc1cc(C[N@@H+](C)CCN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000540910944 421775195 /nfs/dbraw/zinc/77/51/95/421775195.db2.gz MYXUMZZOUYWICB-UHFFFAOYSA-N 1 1 307.350 1.658 20 5 DDBDMO Nc1ccc(NCC[N@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000596072665 422362196 /nfs/dbraw/zinc/36/21/96/422362196.db2.gz FCZYUKFQSZDZTG-UHFFFAOYSA-N 1 1 313.361 2.042 20 5 DDBDMO Cc1cc(CO)cc(NCCNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000590571084 422319810 /nfs/dbraw/zinc/31/98/10/422319810.db2.gz BYXMYNPZJVHSIA-UHFFFAOYSA-N 1 1 302.334 2.315 20 5 DDBDMO CCC[N@@H+](CC)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182270110 263374781 /nfs/dbraw/zinc/37/47/81/263374781.db2.gz VZUUEXWXTFRBSW-UHFFFAOYSA-N 1 1 323.349 1.785 20 5 DDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344775514 272115850 /nfs/dbraw/zinc/11/58/50/272115850.db2.gz WCBOLPLRMWPMSC-UHFFFAOYSA-N 1 1 323.397 1.021 20 5 DDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344775514 272115852 /nfs/dbraw/zinc/11/58/52/272115852.db2.gz WCBOLPLRMWPMSC-UHFFFAOYSA-N 1 1 323.397 1.021 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000345647873 272295168 /nfs/dbraw/zinc/29/51/68/272295168.db2.gz OJWPROFQYULHDG-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000345647873 272295169 /nfs/dbraw/zinc/29/51/69/272295169.db2.gz OJWPROFQYULHDG-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCOC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000121018583 273688721 /nfs/dbraw/zinc/68/87/21/273688721.db2.gz SJBLZSIEMXWVTR-UHFFFAOYSA-N 1 1 307.350 1.670 20 5 DDBDMO COCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000267484158 274027273 /nfs/dbraw/zinc/02/72/73/274027273.db2.gz AGQNLBIOUBBXJS-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO COCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000267484158 274027274 /nfs/dbraw/zinc/02/72/74/274027274.db2.gz AGQNLBIOUBBXJS-UHFFFAOYSA-N 1 1 314.773 1.802 20 5 DDBDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000154941680 274292831 /nfs/dbraw/zinc/29/28/31/274292831.db2.gz RLCPDYHMTWFYJD-SNVBAGLBSA-N 1 1 306.370 1.420 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C(C)C ZINC000429397015 277129634 /nfs/dbraw/zinc/12/96/34/277129634.db2.gz YEDGIPODVJJHKW-JQWIXIFHSA-N 1 1 310.354 1.348 20 5 DDBDMO COc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000195442326 278007869 /nfs/dbraw/zinc/00/78/69/278007869.db2.gz PDISVDSMHZSCCF-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[N@@H+](C)C1CC1 ZINC000057716081 278281540 /nfs/dbraw/zinc/28/15/40/278281540.db2.gz DJPKKWJZXHLVKP-NSHDSACASA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000171474128 280324680 /nfs/dbraw/zinc/32/46/80/280324680.db2.gz LJPIOQZRGSGHKJ-UHFFFAOYSA-N 1 1 318.377 1.796 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299216639 281262080 /nfs/dbraw/zinc/26/20/80/281262080.db2.gz HYJXEZFTUZMZGX-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299216639 281262082 /nfs/dbraw/zinc/26/20/82/281262082.db2.gz HYJXEZFTUZMZGX-NSHDSACASA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000362281199 300043506 /nfs/dbraw/zinc/04/35/06/300043506.db2.gz KMGCMIZVYDUIQR-CQSZACIVSA-N 1 1 304.354 1.670 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363324525 300252006 /nfs/dbraw/zinc/25/20/06/300252006.db2.gz PQZHIGBGNIIQGF-ZIAGYGMSSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])s1 ZINC000363692487 300296967 /nfs/dbraw/zinc/29/69/67/300296967.db2.gz MRNJLXFDICYABA-ZJUUUORDSA-N 1 1 311.363 1.249 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364173985 300353500 /nfs/dbraw/zinc/35/35/00/300353500.db2.gz KKHOUPHJNCJFPF-YJNKXOJESA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364173985 300353502 /nfs/dbraw/zinc/35/35/02/300353502.db2.gz KKHOUPHJNCJFPF-YJNKXOJESA-N 1 1 318.377 1.198 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364173985 300353505 /nfs/dbraw/zinc/35/35/05/300353505.db2.gz KKHOUPHJNCJFPF-YJNKXOJESA-N 1 1 318.377 1.198 20 5 DDBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000367995015 300929729 /nfs/dbraw/zinc/92/97/29/300929729.db2.gz XGEZXLKBVLNCAB-SNVBAGLBSA-N 1 1 319.695 1.927 20 5 DDBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368012831 300932921 /nfs/dbraw/zinc/93/29/21/300932921.db2.gz XZEUSHFYXNFJIZ-ZDUSSCGKSA-N 1 1 300.318 1.985 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC2(CCC2)C1 ZINC000368707938 301078894 /nfs/dbraw/zinc/07/88/94/301078894.db2.gz QLRWHZVUBVZDDJ-UHFFFAOYSA-N 1 1 307.350 1.259 20 5 DDBDMO C[C@H](CN1CCOCC1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019287 301119855 /nfs/dbraw/zinc/11/98/55/301119855.db2.gz XLGWVRMUWQDWJT-KGLIPLIRSA-N 1 1 323.397 1.149 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369788479 301225368 /nfs/dbraw/zinc/22/53/68/301225368.db2.gz SKCUFFRRNVNHBM-FVQBIDKESA-N 1 1 322.361 1.588 20 5 DDBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1c[nH+]c2n1CCCC2 ZINC000375595912 301961124 /nfs/dbraw/zinc/96/11/24/301961124.db2.gz FNZSXIZWPNLEEM-UHFFFAOYSA-N 1 1 314.345 1.987 20 5 DDBDMO CCc1nn(C)c(N2CCC[N@@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000377172517 302151387 /nfs/dbraw/zinc/15/13/87/302151387.db2.gz VAAVIJMWMHLDIL-UHFFFAOYSA-N 1 1 311.386 1.049 20 5 DDBDMO O=C1NC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]12 ZINC000377715113 302217967 /nfs/dbraw/zinc/21/79/67/302217967.db2.gz CTYOYUXHKQJIHC-GXSJLCMTSA-N 1 1 316.317 1.304 20 5 DDBDMO O=C1NC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC[C@@H]12 ZINC000377715113 302217970 /nfs/dbraw/zinc/21/79/70/302217970.db2.gz CTYOYUXHKQJIHC-GXSJLCMTSA-N 1 1 316.317 1.304 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000377967923 302258929 /nfs/dbraw/zinc/25/89/29/302258929.db2.gz SFUOPOIIBMYPHT-CQSZACIVSA-N 1 1 302.334 1.945 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378546582 302333480 /nfs/dbraw/zinc/33/34/80/302333480.db2.gz WQCBQZTZKHDLHZ-WDEREUQCSA-N 1 1 304.350 1.534 20 5 DDBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+]1CCC[C@H](C)C1 ZINC000532134266 303276362 /nfs/dbraw/zinc/27/63/62/303276362.db2.gz VLVVJCLGMXDMNM-RYUDHWBXSA-N 1 1 306.366 1.840 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC000532143377 303277341 /nfs/dbraw/zinc/27/73/41/303277341.db2.gz ALOCNVXSAAUDFT-UHFFFAOYSA-N 1 1 301.306 1.535 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536033725 303354006 /nfs/dbraw/zinc/35/40/06/303354006.db2.gz AMOXTZPMIOVJPC-CQSZACIVSA-N 1 1 314.345 1.850 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536033725 303354008 /nfs/dbraw/zinc/35/40/08/303354008.db2.gz AMOXTZPMIOVJPC-CQSZACIVSA-N 1 1 314.345 1.850 20 5 DDBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000358035899 306926929 /nfs/dbraw/zinc/92/69/29/306926929.db2.gz BQXZGGXNOFAFOU-SNVBAGLBSA-N 1 1 313.379 1.497 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000361854982 307009144 /nfs/dbraw/zinc/00/91/44/307009144.db2.gz MWMIWJBCSQSZPP-HNNXBMFYSA-N 1 1 322.365 1.400 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364072938 307041098 /nfs/dbraw/zinc/04/10/98/307041098.db2.gz PZXJKQFVHVAEJY-GJZGRUSLSA-N 1 1 319.361 1.266 20 5 DDBDMO Cc1ccc(CN2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364973907 307055580 /nfs/dbraw/zinc/05/55/80/307055580.db2.gz NNDRYDBWCUCALX-AWEZNQCLSA-N 1 1 307.394 1.792 20 5 DDBDMO Cc1ncccc1O[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000365274994 307063364 /nfs/dbraw/zinc/06/33/64/307063364.db2.gz NMFBHCGXFVJEDS-ZDUSSCGKSA-N 1 1 317.349 1.648 20 5 DDBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000366584301 307076779 /nfs/dbraw/zinc/07/67/79/307076779.db2.gz FIBVPLVQBQOHHL-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000366584301 307076780 /nfs/dbraw/zinc/07/67/80/307076780.db2.gz FIBVPLVQBQOHHL-GXTWGEPZSA-N 1 1 310.354 1.061 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Cc3ccncc3)C2)n1 ZINC000368632507 307106649 /nfs/dbraw/zinc/10/66/49/307106649.db2.gz NHEJXEFCZAXYGV-CQSZACIVSA-N 1 1 301.350 1.751 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371834246 307158539 /nfs/dbraw/zinc/15/85/39/307158539.db2.gz IFIRIDZIFBDQML-ZFWWWQNUSA-N 1 1 305.378 1.981 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371834246 307158540 /nfs/dbraw/zinc/15/85/40/307158540.db2.gz IFIRIDZIFBDQML-ZFWWWQNUSA-N 1 1 305.378 1.981 20 5 DDBDMO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330449 307168060 /nfs/dbraw/zinc/16/80/60/307168060.db2.gz KZWUTCHFJKLOHJ-XQQFMLRXSA-N 1 1 323.397 1.731 20 5 DDBDMO CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372330449 307168061 /nfs/dbraw/zinc/16/80/61/307168061.db2.gz KZWUTCHFJKLOHJ-XQQFMLRXSA-N 1 1 323.397 1.731 20 5 DDBDMO Cc1nccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000373642622 307193680 /nfs/dbraw/zinc/19/36/80/307193680.db2.gz VFJCHBJHZRLSRF-CYBMUJFWSA-N 1 1 302.338 1.727 20 5 DDBDMO Cc1nccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n1 ZINC000373642622 307193681 /nfs/dbraw/zinc/19/36/81/307193681.db2.gz VFJCHBJHZRLSRF-CYBMUJFWSA-N 1 1 302.338 1.727 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+]([C@H](C)CO)CC1 ZINC000373973118 307198811 /nfs/dbraw/zinc/19/88/11/307198811.db2.gz BBAQTIDEPAXKDX-CYBMUJFWSA-N 1 1 323.393 1.492 20 5 DDBDMO CN(C)CC[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376217618 307240651 /nfs/dbraw/zinc/24/06/51/307240651.db2.gz FNOBUIJDAOAVPZ-UHFFFAOYSA-N 1 1 307.398 1.251 20 5 DDBDMO CN(C)CC[N@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376217618 307240652 /nfs/dbraw/zinc/24/06/52/307240652.db2.gz FNOBUIJDAOAVPZ-UHFFFAOYSA-N 1 1 307.398 1.251 20 5 DDBDMO Cc1nc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666743 307252548 /nfs/dbraw/zinc/25/25/48/307252548.db2.gz VKKXJNTYBVKYAW-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO Cc1nc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376666743 307252549 /nfs/dbraw/zinc/25/25/49/307252549.db2.gz VKKXJNTYBVKYAW-CYBMUJFWSA-N 1 1 319.409 1.879 20 5 DDBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000496535591 307349021 /nfs/dbraw/zinc/34/90/21/307349021.db2.gz RQGCYNCKCDOOLW-ZDUSSCGKSA-N 1 1 305.334 1.869 20 5 DDBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000577208708 308370878 /nfs/dbraw/zinc/37/08/78/308370878.db2.gz PVPDGVUXAAXPLY-CYBMUJFWSA-N 1 1 318.377 1.195 20 5 DDBDMO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488728932 484215490 /nfs/dbraw/zinc/21/54/90/484215490.db2.gz IVLIYSNHWQLVRT-DYEKYZERSA-N 1 1 310.350 1.037 20 5 DDBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC1(C)C ZINC000489475498 484224333 /nfs/dbraw/zinc/22/43/33/484224333.db2.gz GYHGTQNGURTGMZ-CYBMUJFWSA-N 1 1 321.333 1.992 20 5 DDBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC1(C)C ZINC000489475498 484224336 /nfs/dbraw/zinc/22/43/36/484224336.db2.gz GYHGTQNGURTGMZ-CYBMUJFWSA-N 1 1 321.333 1.992 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000357540311 484509751 /nfs/dbraw/zinc/50/97/51/484509751.db2.gz XBOUCIATZSDQAZ-WDEREUQCSA-N 1 1 321.381 1.398 20 5 DDBDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875513 490372194 /nfs/dbraw/zinc/37/21/94/490372194.db2.gz QIPYMBLZMCVMNE-IAQYHMDHSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875513 490372200 /nfs/dbraw/zinc/37/22/00/490372200.db2.gz QIPYMBLZMCVMNE-IAQYHMDHSA-N 1 1 307.350 1.484 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419376548 534321539 /nfs/dbraw/zinc/32/15/39/534321539.db2.gz SDKSMQDYNPGRER-CQSZACIVSA-N 1 1 323.418 1.974 20 5 DDBDMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735857767 598498912 /nfs/dbraw/zinc/49/89/12/598498912.db2.gz YRIHOOPCSZFUAZ-UHFFFAOYSA-N 1 1 320.357 1.312 20 5 DDBDMO COCCCOCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000091026152 696584345 /nfs/dbraw/zinc/58/43/45/696584345.db2.gz HYFJSEZRDWFDPC-UHFFFAOYSA-N 1 1 322.365 1.887 20 5 DDBDMO COCCCOCC[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000091026152 696584348 /nfs/dbraw/zinc/58/43/48/696584348.db2.gz HYFJSEZRDWFDPC-UHFFFAOYSA-N 1 1 322.365 1.887 20 5 DDBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000108459083 696633951 /nfs/dbraw/zinc/63/39/51/696633951.db2.gz ARVIPMGGDRHOCR-GFCCVEGCSA-N 1 1 318.377 1.700 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578189 698120158 /nfs/dbraw/zinc/12/01/58/698120158.db2.gz CGSMCFHUWYNXKD-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578189 698120160 /nfs/dbraw/zinc/12/01/60/698120160.db2.gz CGSMCFHUWYNXKD-UONOGXRCSA-N 1 1 307.350 1.181 20 5 DDBDMO COC(=O)[C@H](C)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246354025 698348230 /nfs/dbraw/zinc/34/82/30/698348230.db2.gz WOEMMHMHEKODFY-IAQYHMDHSA-N 1 1 322.361 1.902 20 5 DDBDMO CCC[N@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778968384 698388099 /nfs/dbraw/zinc/38/80/99/698388099.db2.gz ZUGMZSVDWNJMDJ-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778968384 698388102 /nfs/dbraw/zinc/38/81/02/698388102.db2.gz ZUGMZSVDWNJMDJ-UHFFFAOYSA-N 1 1 315.757 1.891 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000793923440 699787009 /nfs/dbraw/zinc/78/70/09/699787009.db2.gz AUYBMSOIVQJJJF-KGLIPLIRSA-N 1 1 303.362 1.547 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000794927329 699836342 /nfs/dbraw/zinc/83/63/42/699836342.db2.gz FLOBUBRMYNCKKV-RISCZKNCSA-N 1 1 306.322 1.639 20 5 DDBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796575368 699939820 /nfs/dbraw/zinc/93/98/20/699939820.db2.gz OILNKEAFOLEXGZ-GLQYFDAESA-N 1 1 310.350 1.100 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000765461398 701013886 /nfs/dbraw/zinc/01/38/86/701013886.db2.gz ABMLHTWCGHEQGL-AWEZNQCLSA-N 1 1 320.393 1.989 20 5 DDBDMO Nc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000804327379 701178523 /nfs/dbraw/zinc/17/85/23/701178523.db2.gz OTCCJWOPFZVOSL-ZDUSSCGKSA-N 1 1 306.366 1.478 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000804381101 701184300 /nfs/dbraw/zinc/18/43/00/701184300.db2.gz KDKFQEMZKZUGIB-JTQLQIEISA-N 1 1 322.321 1.669 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000804381101 701184303 /nfs/dbraw/zinc/18/43/03/701184303.db2.gz KDKFQEMZKZUGIB-JTQLQIEISA-N 1 1 322.321 1.669 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C[N@@H+]1C ZINC000769145155 701234247 /nfs/dbraw/zinc/23/42/47/701234247.db2.gz MHXOFCYHURQUEJ-NEPJUHHUSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C[N@H+]1C ZINC000769145155 701234249 /nfs/dbraw/zinc/23/42/49/701234249.db2.gz MHXOFCYHURQUEJ-NEPJUHHUSA-N 1 1 320.393 1.825 20 5 DDBDMO O=[N+]([O-])c1c(N2CC[NH+]([C@H]3CCOC3)CC2)nc2ccccn21 ZINC000770436956 701277906 /nfs/dbraw/zinc/27/79/06/701277906.db2.gz MTHADIMMKIXOEQ-LBPRGKRZSA-N 1 1 317.349 1.153 20 5 DDBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839695311 701787659 /nfs/dbraw/zinc/78/76/59/701787659.db2.gz DYCGMZKILHPMCF-JHJVBQTASA-N 1 1 311.769 1.724 20 5 DDBDMO CC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000839726120 701799068 /nfs/dbraw/zinc/79/90/68/701799068.db2.gz MQUNQWXRHKLCGR-ARFHVFGLSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@]1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000839730271 701801019 /nfs/dbraw/zinc/80/10/19/701801019.db2.gz DTVBFYPHPNCEIB-INMHGKMJSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000839730271 701801031 /nfs/dbraw/zinc/80/10/31/701801031.db2.gz DTVBFYPHPNCEIB-INMHGKMJSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000839730271 701801040 /nfs/dbraw/zinc/80/10/40/701801040.db2.gz DTVBFYPHPNCEIB-INMHGKMJSA-N 1 1 317.389 1.823 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000810616325 701802167 /nfs/dbraw/zinc/80/21/67/701802167.db2.gz VESZIRSBWWNOGO-SNVBAGLBSA-N 1 1 321.337 1.627 20 5 DDBDMO CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000867970199 701862598 /nfs/dbraw/zinc/86/25/98/701862598.db2.gz XLXMFFWTIXRHSW-OCCSQVGLSA-N 1 1 309.391 1.733 20 5 DDBDMO C[C@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982284 701890849 /nfs/dbraw/zinc/89/08/49/701890849.db2.gz CDAARUKHQXQVKT-XHDPSFHLSA-N 1 1 305.334 1.831 20 5 DDBDMO C[C@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000839982284 701890856 /nfs/dbraw/zinc/89/08/56/701890856.db2.gz CDAARUKHQXQVKT-XHDPSFHLSA-N 1 1 305.334 1.831 20 5 DDBDMO CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCOC1 ZINC000812298282 702141970 /nfs/dbraw/zinc/14/19/70/702141970.db2.gz LAWJCPUSNHPYFG-CYBMUJFWSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCOC1 ZINC000812298282 702141971 /nfs/dbraw/zinc/14/19/71/702141971.db2.gz LAWJCPUSNHPYFG-CYBMUJFWSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC000866211966 706650382 /nfs/dbraw/zinc/65/03/82/706650382.db2.gz HGQVBYXNGXUPGS-UHFFFAOYSA-N 1 1 319.409 1.514 20 5 DDBDMO CC[C@H]([NH3+])c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843225381 702846106 /nfs/dbraw/zinc/84/61/06/702846106.db2.gz YZVWWVDHCMASFX-NSHDSACASA-N 1 1 319.321 1.247 20 5 DDBDMO C[C@@H]1[C@H](COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000845816833 703206095 /nfs/dbraw/zinc/20/60/95/703206095.db2.gz ZOMIHZLHOCTKFT-MNOVXSKESA-N 1 1 310.354 1.410 20 5 DDBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831550076 706729776 /nfs/dbraw/zinc/72/97/76/706729776.db2.gz JNXXETJKHKSAAY-AWEZNQCLSA-N 1 1 305.334 1.006 20 5 DDBDMO CN1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000846921253 703352107 /nfs/dbraw/zinc/35/21/07/703352107.db2.gz REWZLMBIIVVDEW-ZIAGYGMSSA-N 1 1 307.350 1.181 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000848786274 703588927 /nfs/dbraw/zinc/58/89/27/703588927.db2.gz KGJBHKUCDWDKDL-JTQLQIEISA-N 1 1 308.338 1.603 20 5 DDBDMO O=C1NCCO[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000879717940 706768723 /nfs/dbraw/zinc/76/87/23/706768723.db2.gz IPMYMPSAVXJLSN-GJZGRUSLSA-N 1 1 319.361 1.117 20 5 DDBDMO O=C1NCCO[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000879717940 706768724 /nfs/dbraw/zinc/76/87/24/706768724.db2.gz IPMYMPSAVXJLSN-GJZGRUSLSA-N 1 1 319.361 1.117 20 5 DDBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000869786007 703853177 /nfs/dbraw/zinc/85/31/77/703853177.db2.gz NJTMJSVWGAYDJO-ZDUSSCGKSA-N 1 1 321.377 1.099 20 5 DDBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000869785787 703853345 /nfs/dbraw/zinc/85/33/45/703853345.db2.gz FBASJYFUJPJZMA-LBPRGKRZSA-N 1 1 321.377 1.478 20 5 DDBDMO CCc1nnc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819321438 704107475 /nfs/dbraw/zinc/10/74/75/704107475.db2.gz HNOSRXBLOQJFRM-NSHDSACASA-N 1 1 308.363 1.832 20 5 DDBDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000870789517 704132476 /nfs/dbraw/zinc/13/24/76/704132476.db2.gz HFZLOLUEBLJUSD-STQMWFEESA-N 1 1 324.381 1.988 20 5 DDBDMO COc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])cc1C ZINC000853477816 704246226 /nfs/dbraw/zinc/24/62/26/704246226.db2.gz ZQYBYVCPHOPBKW-GFCCVEGCSA-N 1 1 307.350 1.433 20 5 DDBDMO COc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])cc1C ZINC000853477816 704246230 /nfs/dbraw/zinc/24/62/30/704246230.db2.gz ZQYBYVCPHOPBKW-GFCCVEGCSA-N 1 1 307.350 1.433 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000820608431 704309911 /nfs/dbraw/zinc/30/99/11/704309911.db2.gz IWWVOGYXLYSTMC-OAHLLOKOSA-N 1 1 321.381 1.044 20 5 DDBDMO O=C1CC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000821341531 704393786 /nfs/dbraw/zinc/39/37/86/704393786.db2.gz BAEOEGOYJCBLCE-CQSZACIVSA-N 1 1 305.334 1.422 20 5 DDBDMO C[C@@H]1C[N@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CO1 ZINC000855408680 704483166 /nfs/dbraw/zinc/48/31/66/704483166.db2.gz XLUVLXSAPZJMHP-NWDGAFQWSA-N 1 1 301.387 1.047 20 5 DDBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)CO1 ZINC000855408680 704483167 /nfs/dbraw/zinc/48/31/67/704483167.db2.gz XLUVLXSAPZJMHP-NWDGAFQWSA-N 1 1 301.387 1.047 20 5 DDBDMO C[NH+]1CCN(CC2CN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000858612204 704734592 /nfs/dbraw/zinc/73/45/92/704734592.db2.gz ZQIJROPIZAYRBK-UHFFFAOYSA-N 1 1 324.812 1.932 20 5 DDBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000823130185 705148366 /nfs/dbraw/zinc/14/83/66/705148366.db2.gz VRWYNQLYUVLKFJ-NEPJUHHUSA-N 1 1 301.387 1.047 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](CCCF)CC2)c(N)c([N+](=O)[O-])c1 ZINC000862112487 705655096 /nfs/dbraw/zinc/65/50/96/705655096.db2.gz KKGLLOHDBVFXOV-UHFFFAOYSA-N 1 1 324.356 1.603 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827216574 705952186 /nfs/dbraw/zinc/95/21/86/705952186.db2.gz ASGRMCVTMMEIEB-JQWIXIFHSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827231534 705956397 /nfs/dbraw/zinc/95/63/97/705956397.db2.gz HIHXYACCLVHVAP-GXTWGEPZSA-N 1 1 321.352 1.829 20 5 DDBDMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CCCCO)CC1 ZINC000882013312 707465555 /nfs/dbraw/zinc/46/55/55/707465555.db2.gz YUAGXWUXEKWZRN-UHFFFAOYSA-N 1 1 321.377 1.692 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000872781505 707597454 /nfs/dbraw/zinc/59/74/54/707597454.db2.gz UQKWXPOCQJOZJA-MNOVXSKESA-N 1 1 302.338 1.310 20 5 DDBDMO COCCNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873130246 707743280 /nfs/dbraw/zinc/74/32/80/707743280.db2.gz BTYUXFSZTXYHHH-UHFFFAOYSA-N 1 1 307.350 1.288 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000838147247 707854433 /nfs/dbraw/zinc/85/44/33/707854433.db2.gz BSRMIMDNLFRXCQ-SNVBAGLBSA-N 1 1 324.356 1.778 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838285983 707888095 /nfs/dbraw/zinc/88/80/95/707888095.db2.gz QHURDYUONOMYMW-CYBMUJFWSA-N 1 1 305.290 1.377 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838285986 707888273 /nfs/dbraw/zinc/88/82/73/707888273.db2.gz QHURDYUONOMYMW-ZDUSSCGKSA-N 1 1 305.290 1.377 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000883182712 707949940 /nfs/dbraw/zinc/94/99/40/707949940.db2.gz JEFHYEAXZUUXRY-CQSZACIVSA-N 1 1 306.366 1.531 20 5 DDBDMO Cc1c(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000899936071 709242842 /nfs/dbraw/zinc/24/28/42/709242842.db2.gz PHZBTSGRNWHWMH-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC1(C)CC[N@@H+](CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000890081390 709739376 /nfs/dbraw/zinc/73/93/76/709739376.db2.gz GKALULNQGHILLT-UHFFFAOYSA-N 1 1 305.378 1.985 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000902418424 710747783 /nfs/dbraw/zinc/74/77/83/710747783.db2.gz LQZSZYHCRBKKEE-GFCCVEGCSA-N 1 1 318.333 1.787 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000902418424 710747786 /nfs/dbraw/zinc/74/77/86/710747786.db2.gz LQZSZYHCRBKKEE-GFCCVEGCSA-N 1 1 318.333 1.787 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000928554898 713224341 /nfs/dbraw/zinc/22/43/41/713224341.db2.gz LBUSIIWDRLMKAS-JTQLQIEISA-N 1 1 300.318 1.577 20 5 DDBDMO CC[N@H+]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000894406204 711106190 /nfs/dbraw/zinc/10/61/90/711106190.db2.gz OFHAQVJXUYSNKC-NSHDSACASA-N 1 1 309.366 1.835 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000894907024 711314835 /nfs/dbraw/zinc/31/48/35/711314835.db2.gz GHZWKKACLRSLDU-NSHDSACASA-N 1 1 323.349 1.219 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000894940591 711330237 /nfs/dbraw/zinc/33/02/37/711330237.db2.gz UHQNOCLNVBUOGF-JQWIXIFHSA-N 1 1 310.350 1.902 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000895386247 711500084 /nfs/dbraw/zinc/50/00/84/711500084.db2.gz PIUCGUBEOSRVSC-ABAIWWIYSA-N 1 1 308.334 1.777 20 5 DDBDMO COC(=O)[C@@]1(O)CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000895703736 711582796 /nfs/dbraw/zinc/58/27/96/711582796.db2.gz ONLYQPWFAWEBAX-OQRGYWNNSA-N 1 1 320.345 1.608 20 5 DDBDMO CCOC(=O)Cc1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895769263 711601140 /nfs/dbraw/zinc/60/11/40/711601140.db2.gz PPXNQJDCLKOESK-LBPRGKRZSA-N 1 1 307.350 1.816 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[N+](=O)[O-] ZINC000896045049 711667967 /nfs/dbraw/zinc/66/79/67/711667967.db2.gz CDMXGIQWFZDIPQ-WCQGTBRESA-N 1 1 308.334 1.512 20 5 DDBDMO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896554425 711750052 /nfs/dbraw/zinc/75/00/52/711750052.db2.gz FLPQDDBXTWJUFP-QMTHXVAHSA-N 1 1 324.356 1.098 20 5 DDBDMO C[NH+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000929101331 713546518 /nfs/dbraw/zinc/54/65/18/713546518.db2.gz XEIVQVXKAWEDRQ-UHFFFAOYSA-N 1 1 311.769 1.955 20 5 DDBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCO[C@H]3CCOC3)CC2)c1 ZINC000929271408 713580129 /nfs/dbraw/zinc/58/01/29/713580129.db2.gz XPSZIBGTVIWWMO-INIZCTEOSA-N 1 1 321.377 1.522 20 5 DDBDMO O=[N+]([O-])CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000929955037 713722761 /nfs/dbraw/zinc/72/27/61/713722761.db2.gz JWQCRINNGWJHSS-UHFFFAOYSA-N 1 1 301.350 1.928 20 5 DDBDMO COC(=O)[C@@]1(NCC[N+](=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000930151970 713768478 /nfs/dbraw/zinc/76/84/78/713768478.db2.gz LCIZYEGFWABZKM-MRXNPFEDSA-N 1 1 321.377 1.061 20 5 DDBDMO COc1cccc([C@@H]2[C@H](NCC[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000930353778 713812194 /nfs/dbraw/zinc/81/21/94/713812194.db2.gz KGWLYTVHIBTOOE-HZPDHXFCSA-N 1 1 305.378 1.839 20 5 DDBDMO COc1ccc(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000930770129 713915995 /nfs/dbraw/zinc/91/59/95/713915995.db2.gz VUFUOCDWENYWIM-GXFFZTMASA-N 1 1 320.349 1.771 20 5 DDBDMO Cn1[nH]c(=O)c2c1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000931198701 714032658 /nfs/dbraw/zinc/03/26/58/714032658.db2.gz XEWLSXVCNGMQJG-UHFFFAOYSA-N 1 1 318.333 1.471 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434176 714097257 /nfs/dbraw/zinc/09/72/57/714097257.db2.gz OPOVIDIITPFERJ-OCCSQVGLSA-N 1 1 318.377 1.077 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923889625 714485129 /nfs/dbraw/zinc/48/51/29/714485129.db2.gz AKGGMBOXANOCDW-LBPRGKRZSA-N 1 1 310.354 1.516 20 5 DDBDMO Cc1ccnc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928549 721854352 /nfs/dbraw/zinc/85/43/52/721854352.db2.gz OFDFHGNKIGDNSP-KBPBESRZSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928549 721854353 /nfs/dbraw/zinc/85/43/53/721854353.db2.gz OFDFHGNKIGDNSP-KBPBESRZSA-N 1 1 319.409 1.513 20 5 DDBDMO CC(C)(C)c1cnc(-n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167351128 733271504 /nfs/dbraw/zinc/27/15/04/733271504.db2.gz DPVDMTOJRQHSBC-UHFFFAOYSA-N 1 1 302.338 1.411 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC001105415316 741191992 /nfs/dbraw/zinc/19/19/92/741191992.db2.gz NSTPZNOKJYUQNV-UHFFFAOYSA-N 1 1 322.409 1.830 20 5 DDBDMO O=C(NCC[NH2+]CCc1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001126939414 742881674 /nfs/dbraw/zinc/88/16/74/742881674.db2.gz XIXLIPVDEAKJBM-DGCLKSJQSA-N 1 1 311.769 1.254 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134274 743705323 /nfs/dbraw/zinc/70/53/23/743705323.db2.gz GUQDOYDNBAQSQB-DGCLKSJQSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698134274 743705327 /nfs/dbraw/zinc/70/53/27/743705327.db2.gz GUQDOYDNBAQSQB-DGCLKSJQSA-N 1 1 300.742 1.566 20 5 DDBDMO CCCCOCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195768808 746692163 /nfs/dbraw/zinc/69/21/63/746692163.db2.gz GGPGUGMKAPPGBA-ZIAGYGMSSA-N 1 1 313.398 1.003 20 5 DDBDMO CCCCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195768808 746692166 /nfs/dbraw/zinc/69/21/66/746692166.db2.gz GGPGUGMKAPPGBA-ZIAGYGMSSA-N 1 1 313.398 1.003 20 5 DDBDMO CCCCOCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195768808 746692168 /nfs/dbraw/zinc/69/21/68/746692168.db2.gz GGPGUGMKAPPGBA-ZIAGYGMSSA-N 1 1 313.398 1.003 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001196675118 746932534 /nfs/dbraw/zinc/93/25/34/746932534.db2.gz LCSMLUJYNVFPIH-KWBADKCTSA-N 1 1 319.317 1.027 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001196675118 746932538 /nfs/dbraw/zinc/93/25/38/746932538.db2.gz LCSMLUJYNVFPIH-KWBADKCTSA-N 1 1 319.317 1.027 20 5 DDBDMO CO[C@@H]1CC[NH2+][C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001212240501 747104772 /nfs/dbraw/zinc/10/47/72/747104772.db2.gz ALHJPZUGDKGNLQ-BDAKNGLRSA-N 1 1 323.284 1.618 20 5 DDBDMO CCOC(=O)C1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168960760 762155185 /nfs/dbraw/zinc/15/51/85/762155185.db2.gz GYLJWYWSVPWPLJ-NEPJUHHUSA-N 1 1 300.355 1.134 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053570 762208212 /nfs/dbraw/zinc/20/82/12/762208212.db2.gz ITPPFICTYNWZHF-KCQAQPDRSA-N 1 1 321.377 1.989 20 5 DDBDMO Cc1cnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)nc1 ZINC001169057626 762211216 /nfs/dbraw/zinc/21/12/16/762211216.db2.gz WKJXUXIZWWHSSM-BFHYXJOUSA-N 1 1 306.366 1.684 20 5 DDBDMO CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097203763 756972904 /nfs/dbraw/zinc/97/29/04/756972904.db2.gz VJPVHACUSTTZKR-BETUJISGSA-N 1 1 320.393 1.996 20 5 DDBDMO CCN(c1ncnc2cc(OC)c([N+](=O)[O-])cc21)C1C[NH+](C)C1 ZINC001157456338 765238138 /nfs/dbraw/zinc/23/81/38/765238138.db2.gz NZSYTEXSOSSZJU-UHFFFAOYSA-N 1 1 317.349 1.687 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC(C)(C)C ZINC001135532373 771561688 /nfs/dbraw/zinc/56/16/88/771561688.db2.gz SPGNFZXTQSQLJU-UHFFFAOYSA-N 1 1 311.386 1.360 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093787999 775078311 /nfs/dbraw/zinc/07/83/11/775078311.db2.gz RLVKDSOONAWESG-UHFFFAOYSA-N 1 1 312.345 1.604 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])cc1C ZINC001093840022 775124323 /nfs/dbraw/zinc/12/43/23/775124323.db2.gz ANRNZOJYCRRNLR-UHFFFAOYSA-N 1 1 309.370 1.168 20 5 DDBDMO Cc1[nH+]ccn1CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094434367 775858296 /nfs/dbraw/zinc/85/82/96/775858296.db2.gz FNHUCZNKJFIVPG-UHFFFAOYSA-N 1 1 317.349 1.718 20 5 DDBDMO O=C(C[N@@H+]1CC[C@]2(CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001177002704 778384971 /nfs/dbraw/zinc/38/49/71/778384971.db2.gz NANAJQFFHDCPQP-HNNXBMFYSA-N 1 1 319.317 1.172 20 5 DDBDMO O=C(C[N@H+]1CC[C@]2(CCOC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001177002704 778384978 /nfs/dbraw/zinc/38/49/78/778384978.db2.gz NANAJQFFHDCPQP-HNNXBMFYSA-N 1 1 319.317 1.172 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001119592596 781529968 /nfs/dbraw/zinc/52/99/68/781529968.db2.gz IDESZZZSYURMAU-UHFFFAOYSA-N 1 1 303.362 1.964 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267223850 837558813 /nfs/dbraw/zinc/55/88/13/837558813.db2.gz RMEQBZYXJDYXBW-UHFFFAOYSA-N 1 1 315.333 1.247 20 5 DDBDMO C[N@@H+]1CC[C@H](NC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001156576583 863160778 /nfs/dbraw/zinc/16/07/78/863160778.db2.gz YAQYDRDUWQDPGQ-QMMMGPOBSA-N 1 1 306.700 1.986 20 5 DDBDMO C[N@H+]1CC[C@H](NC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001156576583 863160783 /nfs/dbraw/zinc/16/07/83/863160783.db2.gz YAQYDRDUWQDPGQ-QMMMGPOBSA-N 1 1 306.700 1.986 20 5 DDBDMO CC[N@H+]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001156827422 863372636 /nfs/dbraw/zinc/37/26/36/863372636.db2.gz DNYXBSOALJLGHD-GFCCVEGCSA-N 1 1 323.397 1.336 20 5 DDBDMO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC001154042475 864352424 /nfs/dbraw/zinc/35/24/24/864352424.db2.gz ISWWEGZOYGYSBU-VIFPVBQESA-N 1 1 306.322 1.076 20 5 DDBDMO Cc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001158231532 864503055 /nfs/dbraw/zinc/50/30/55/864503055.db2.gz IKTDZMVLONNRGD-OAHLLOKOSA-N 1 1 322.365 1.271 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001158493745 864688313 /nfs/dbraw/zinc/68/83/13/864688313.db2.gz JFBPVLQZSLCLKT-NSHDSACASA-N 1 1 322.365 1.695 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001160477828 865873987 /nfs/dbraw/zinc/87/39/87/865873987.db2.gz SIFDWLMXZIGQSI-QMMMGPOBSA-N 1 1 317.777 1.822 20 5 DDBDMO [NH3+]CCc1cn(-c2ncc(F)cc2[N+](=O)[O-])c2ccncc12 ZINC001160945640 866202977 /nfs/dbraw/zinc/20/29/77/866202977.db2.gz HETCVIBDMQMBTD-UHFFFAOYSA-N 1 1 301.281 1.969 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001333710523 866955758 /nfs/dbraw/zinc/95/57/58/866955758.db2.gz LHTNYPBFYRVNIE-WCQYABFASA-N 1 1 306.366 1.919 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162338564 867469258 /nfs/dbraw/zinc/46/92/58/867469258.db2.gz BWBOMHLQUINSNY-AWEZNQCLSA-N 1 1 308.338 1.673 20 5 DDBDMO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1N ZINC001162880516 867897318 /nfs/dbraw/zinc/89/73/18/867897318.db2.gz LTBRDIWORAMONE-CYBMUJFWSA-N 1 1 323.397 1.731 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CCC([NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC001322006269 867930068 /nfs/dbraw/zinc/93/00/68/867930068.db2.gz DSTDEOVVQRYTSR-UHFFFAOYSA-N 1 1 323.397 1.827 20 5 DDBDMO COc1c(O)ccc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001336813278 869160432 /nfs/dbraw/zinc/16/04/32/869160432.db2.gz PMLCHDQIIZKRHG-JQWIXIFHSA-N 1 1 307.350 1.445 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001165301154 869508627 /nfs/dbraw/zinc/50/86/27/869508627.db2.gz YKJOQVYWOOJFJB-LLVKDONJSA-N 1 1 318.377 1.982 20 5 DDBDMO Cc1nn(C)c(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c1[N+](=O)[O-] ZINC001338200992 869866492 /nfs/dbraw/zinc/86/64/92/869866492.db2.gz OWOZLWJEXFISMT-IYBDPMFKSA-N 1 1 319.409 1.949 20 5 DDBDMO C[C@H]1C(=O)N(C)CCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001167038441 870494806 /nfs/dbraw/zinc/49/48/06/870494806.db2.gz XERRQNRFOGZEJY-QRGHLMKCSA-N 1 1 319.365 1.189 20 5 DDBDMO CNc1nccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001349784649 875366494 /nfs/dbraw/zinc/36/64/94/875366494.db2.gz LENVALQPGXSWMK-LLVKDONJSA-N 1 1 319.365 1.342 20 5 DDBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(N)c([N+](=O)[O-])n2)C1 ZINC001350475165 875710494 /nfs/dbraw/zinc/71/04/94/875710494.db2.gz XWJOLRAECMJKFU-LLVKDONJSA-N 1 1 316.365 1.765 20 5 DDBDMO CN1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289330 877234035 /nfs/dbraw/zinc/23/40/35/877234035.db2.gz XTBBAZJKTSVQNZ-HIFRSBDPSA-N 1 1 323.393 1.266 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001357452964 879975429 /nfs/dbraw/zinc/97/54/29/879975429.db2.gz IXLULSJKIYPXIN-UHFFFAOYSA-N 1 1 321.711 1.891 20 5 DDBDMO NC(=O)[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479426 896456471 /nfs/dbraw/zinc/45/64/71/896456471.db2.gz ZIEMRWWONQVCNX-GFCCVEGCSA-N 1 1 318.377 1.371 20 5 DDBDMO COC(=O)[C@H]1C[N@H+](C)CCN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569251 896505374 /nfs/dbraw/zinc/50/53/74/896505374.db2.gz JEQQCRNZZCGRBS-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569251 896505381 /nfs/dbraw/zinc/50/53/81/896505381.db2.gz JEQQCRNZZCGRBS-IUODEOHRSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565891 896506019 /nfs/dbraw/zinc/50/60/19/896506019.db2.gz QUFBCPSGGQNBAJ-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC001254565891 896506031 /nfs/dbraw/zinc/50/60/31/896506031.db2.gz QUFBCPSGGQNBAJ-SWLSCSKDSA-N 1 1 321.377 1.315 20 5 DDBDMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254597106 896524062 /nfs/dbraw/zinc/52/40/62/896524062.db2.gz USAHMBFSYMOLLW-ARFHVFGLSA-N 1 1 315.373 1.757 20 5 DDBDMO CC[N@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 ZINC001262863766 900400185 /nfs/dbraw/zinc/40/01/85/900400185.db2.gz PBOOTPFSCKYHBN-UHFFFAOYSA-N 1 1 320.353 1.515 20 5 DDBDMO COc1cc(C[N@H+](C[C@H](C)O)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000248904756 282117073 /nfs/dbraw/zinc/11/70/73/282117073.db2.gz HUHFHAIQEAUHPR-ZJUUUORDSA-N 1 1 316.329 1.306 20 5 DDBDMO COc1cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)c([N+](=O)[O-])cc1F ZINC000248904756 282117074 /nfs/dbraw/zinc/11/70/74/282117074.db2.gz HUHFHAIQEAUHPR-ZJUUUORDSA-N 1 1 316.329 1.306 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000305324154 231000277 /nfs/dbraw/zinc/00/02/77/231000277.db2.gz OSIFBKQNRGCPKW-OAHLLOKOSA-N 1 1 316.361 1.519 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000305706023 231021867 /nfs/dbraw/zinc/02/18/67/231021867.db2.gz CVNOBPXPYNZQAL-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000305706023 231021868 /nfs/dbraw/zinc/02/18/68/231021868.db2.gz CVNOBPXPYNZQAL-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000451650479 231151103 /nfs/dbraw/zinc/15/11/03/231151103.db2.gz FEVVNWUZCPTPFU-OKILXGFUSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000451650479 231151106 /nfs/dbraw/zinc/15/11/06/231151106.db2.gz FEVVNWUZCPTPFU-OKILXGFUSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000451650479 231151109 /nfs/dbraw/zinc/15/11/09/231151109.db2.gz FEVVNWUZCPTPFU-OKILXGFUSA-N 1 1 307.394 1.524 20 5 DDBDMO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249566764 282174290 /nfs/dbraw/zinc/17/42/90/282174290.db2.gz NFEFQCMPAUSPEK-SMDDNHRTSA-N 1 1 307.350 1.559 20 5 DDBDMO C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249566764 282174292 /nfs/dbraw/zinc/17/42/92/282174292.db2.gz NFEFQCMPAUSPEK-SMDDNHRTSA-N 1 1 307.350 1.559 20 5 DDBDMO CCc1n[nH]c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000458157497 529467481 /nfs/dbraw/zinc/46/74/81/529467481.db2.gz CMMWQCHQDRZRMZ-SNVBAGLBSA-N 1 1 309.370 1.342 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072369 231291404 /nfs/dbraw/zinc/29/14/04/231291404.db2.gz WOWDKWGVMPHBNU-WOPDTQHZSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452072369 231291408 /nfs/dbraw/zinc/29/14/08/231291408.db2.gz WOWDKWGVMPHBNU-WOPDTQHZSA-N 1 1 307.350 1.625 20 5 DDBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(C)c1 ZINC000090524541 185300308 /nfs/dbraw/zinc/30/03/08/185300308.db2.gz OCXYRDNNUPRQJR-UHFFFAOYSA-N 1 1 305.338 1.012 20 5 DDBDMO CC1(C)CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000615140542 362170468 /nfs/dbraw/zinc/17/04/68/362170468.db2.gz VUUORYIRWNUDOA-FNORWQNLSA-N 1 1 319.405 1.997 20 5 DDBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1(C)C ZINC000413289441 529772373 /nfs/dbraw/zinc/77/23/73/529772373.db2.gz YBEXXTCAUCLCOY-UHFFFAOYSA-N 1 1 311.361 1.567 20 5 DDBDMO CCOC1CC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000286721960 219130176 /nfs/dbraw/zinc/13/01/76/219130176.db2.gz GIBLGZJIRVTOHA-MOKVOYLWSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000138208772 186014886 /nfs/dbraw/zinc/01/48/86/186014886.db2.gz KZAPWKHISZXBMY-PHIMTYICSA-N 1 1 323.397 1.804 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138208772 186014888 /nfs/dbraw/zinc/01/48/88/186014888.db2.gz KZAPWKHISZXBMY-PHIMTYICSA-N 1 1 323.397 1.804 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000138208772 186014890 /nfs/dbraw/zinc/01/48/90/186014890.db2.gz KZAPWKHISZXBMY-PHIMTYICSA-N 1 1 323.397 1.804 20 5 DDBDMO COc1ccc(OCCNC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000459548551 233303482 /nfs/dbraw/zinc/30/34/82/233303482.db2.gz MAIJTBDDUFIESV-UHFFFAOYSA-N 1 1 311.382 1.912 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172301745 198074808 /nfs/dbraw/zinc/07/48/08/198074808.db2.gz MQRJJVOQAJXYIA-HNNXBMFYSA-N 1 1 310.350 1.447 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031096398 352261880 /nfs/dbraw/zinc/26/18/80/352261880.db2.gz WASBJUOYLJSVRR-UHFFFAOYSA-N 1 1 310.354 1.685 20 5 DDBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042595301 352344296 /nfs/dbraw/zinc/34/42/96/352344296.db2.gz LGFLJLRHGIQVRA-UHFFFAOYSA-N 1 1 324.381 1.335 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000052294497 352607571 /nfs/dbraw/zinc/60/75/71/352607571.db2.gz XTPHMCAABRWTHE-UHFFFAOYSA-N 1 1 303.322 1.599 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052894359 352631711 /nfs/dbraw/zinc/63/17/11/352631711.db2.gz JNBHHLDVVKIRHJ-CYBMUJFWSA-N 1 1 314.345 1.927 20 5 DDBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000063496567 352914088 /nfs/dbraw/zinc/91/40/88/352914088.db2.gz AEKFKYHOJPIYNZ-LLVKDONJSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000063496567 352914091 /nfs/dbraw/zinc/91/40/91/352914091.db2.gz AEKFKYHOJPIYNZ-LLVKDONJSA-N 1 1 307.350 1.953 20 5 DDBDMO CC[NH+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000069543962 353167740 /nfs/dbraw/zinc/16/77/40/353167740.db2.gz LZZFYCPLUMFWQG-UHFFFAOYSA-N 1 1 307.350 1.310 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000070949923 353186654 /nfs/dbraw/zinc/18/66/54/353186654.db2.gz QDEBEKQYOKAUQI-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000070949923 353186656 /nfs/dbraw/zinc/18/66/56/353186656.db2.gz QDEBEKQYOKAUQI-LBPRGKRZSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000174472890 198338377 /nfs/dbraw/zinc/33/83/77/198338377.db2.gz KRWWZHFRJFUCDZ-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO CC(C)c1nc2c(n1C)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000174852098 198393568 /nfs/dbraw/zinc/39/35/68/198393568.db2.gz ZQZNOUZFCPGANA-UHFFFAOYSA-N 1 1 318.381 1.707 20 5 DDBDMO CC(C)c1nc2c(n1C)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000174852098 198393570 /nfs/dbraw/zinc/39/35/70/198393570.db2.gz ZQZNOUZFCPGANA-UHFFFAOYSA-N 1 1 318.381 1.707 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080435043 353608151 /nfs/dbraw/zinc/60/81/51/353608151.db2.gz ONPOENNRFKGIBB-GFCCVEGCSA-N 1 1 321.402 1.858 20 5 DDBDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000081527118 353681143 /nfs/dbraw/zinc/68/11/43/353681143.db2.gz DTHDGSSOUOGRJG-LLVKDONJSA-N 1 1 322.365 1.156 20 5 DDBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000081527118 353681144 /nfs/dbraw/zinc/68/11/44/353681144.db2.gz DTHDGSSOUOGRJG-LLVKDONJSA-N 1 1 322.365 1.156 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092612370 353863329 /nfs/dbraw/zinc/86/33/29/353863329.db2.gz CGFSSRDJVYMUJC-CYBMUJFWSA-N 1 1 320.393 1.988 20 5 DDBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093332540 353895926 /nfs/dbraw/zinc/89/59/26/353895926.db2.gz UCLVTWYQWLQXTK-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093332540 353895932 /nfs/dbraw/zinc/89/59/32/353895932.db2.gz UCLVTWYQWLQXTK-FZMZJTMJSA-N 1 1 307.350 1.260 20 5 DDBDMO CCOCC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000093311631 353894474 /nfs/dbraw/zinc/89/44/74/353894474.db2.gz YANAUEPNHVEDLT-UHFFFAOYSA-N 1 1 323.349 1.861 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000157920589 354227651 /nfs/dbraw/zinc/22/76/51/354227651.db2.gz PZQGPLAJVNMBNZ-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000157920589 354227653 /nfs/dbraw/zinc/22/76/53/354227653.db2.gz PZQGPLAJVNMBNZ-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO CC(=O)N1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268686113 354406196 /nfs/dbraw/zinc/40/61/96/354406196.db2.gz NOUGINGDTUCTJC-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CC(=O)N1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268686113 354406201 /nfs/dbraw/zinc/40/62/01/354406201.db2.gz NOUGINGDTUCTJC-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO Cn1c[nH+]cc1CCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000314147131 354483826 /nfs/dbraw/zinc/48/38/26/354483826.db2.gz QJFCRTWWOQMIKP-UHFFFAOYSA-N 1 1 314.143 1.920 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000320457842 354527193 /nfs/dbraw/zinc/52/71/93/354527193.db2.gz OTZUZJYNXFUXPE-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000320457842 354527199 /nfs/dbraw/zinc/52/71/99/354527199.db2.gz OTZUZJYNXFUXPE-GFCCVEGCSA-N 1 1 315.377 1.801 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000590010679 355040824 /nfs/dbraw/zinc/04/08/24/355040824.db2.gz OSRDJTJXTLYSJK-NHYWBVRUSA-N 1 1 319.361 1.597 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590376017 355078382 /nfs/dbraw/zinc/07/83/82/355078382.db2.gz SIBLNAFOBZTMLP-UHFFFAOYSA-N 1 1 307.354 1.184 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000590443370 355097649 /nfs/dbraw/zinc/09/76/49/355097649.db2.gz IMZHFRHEEDPNJG-FZMZJTMJSA-N 1 1 305.334 1.136 20 5 DDBDMO C[C@H](O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056166 355239565 /nfs/dbraw/zinc/23/95/65/355239565.db2.gz CXRWCONQMQRKHM-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591056166 355239568 /nfs/dbraw/zinc/23/95/68/355239568.db2.gz CXRWCONQMQRKHM-WFASDCNBSA-N 1 1 310.350 1.445 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)n1 ZINC000591079645 355244799 /nfs/dbraw/zinc/24/47/99/355244799.db2.gz RMQFGIRPQMLVHH-UHFFFAOYSA-N 1 1 321.381 1.276 20 5 DDBDMO C[NH+]1CCC2(CC1)CN(CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592182642 355527787 /nfs/dbraw/zinc/52/77/87/355527787.db2.gz NDHQVHVBSGWHJV-UHFFFAOYSA-N 1 1 319.405 1.934 20 5 DDBDMO C[C@@H]1[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[N@H+]1C ZINC000592794709 355694650 /nfs/dbraw/zinc/69/46/50/355694650.db2.gz LYLBRRBIDHJOBN-DGCLKSJQSA-N 1 1 321.381 1.295 20 5 DDBDMO O=[N+]([O-])c1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594494139 356237256 /nfs/dbraw/zinc/23/72/56/356237256.db2.gz UXTSHWZWUMVWFW-INIZCTEOSA-N 1 1 305.378 1.938 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000595032292 356374329 /nfs/dbraw/zinc/37/43/29/356374329.db2.gz MCVGCLPUDOIYEC-IAQYHMDHSA-N 1 1 309.366 1.321 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1COCCO1 ZINC000595744940 356631919 /nfs/dbraw/zinc/63/19/19/356631919.db2.gz WJBFRGARQPGQTO-SMDDNHRTSA-N 1 1 323.349 1.269 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595744940 356631924 /nfs/dbraw/zinc/63/19/24/356631924.db2.gz WJBFRGARQPGQTO-SMDDNHRTSA-N 1 1 323.349 1.269 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595728783 356625012 /nfs/dbraw/zinc/62/50/12/356625012.db2.gz OWHMWUFJAAJYAS-QWHCGFSZSA-N 1 1 319.361 1.704 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595755461 356637092 /nfs/dbraw/zinc/63/70/92/356637092.db2.gz ARLLWCNSJQONHQ-WQGACYEGSA-N 1 1 319.361 1.890 20 5 DDBDMO O=C(C[N@@H+]1CCC2(COC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595835996 356671525 /nfs/dbraw/zinc/67/15/25/356671525.db2.gz XXNHSPSWLUYKHE-UHFFFAOYSA-N 1 1 317.345 1.206 20 5 DDBDMO O=C(C[N@H+]1CCC2(COC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595835996 356671528 /nfs/dbraw/zinc/67/15/28/356671528.db2.gz XXNHSPSWLUYKHE-UHFFFAOYSA-N 1 1 317.345 1.206 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595877537 356688361 /nfs/dbraw/zinc/68/83/61/356688361.db2.gz UYMUJAUPTGUPTE-WBMJQRKESA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595877537 356688363 /nfs/dbraw/zinc/68/83/63/356688363.db2.gz UYMUJAUPTGUPTE-WBMJQRKESA-N 1 1 321.377 1.792 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596081380 356765905 /nfs/dbraw/zinc/76/59/05/356765905.db2.gz HJJBZXJHDXABDO-GFCCVEGCSA-N 1 1 323.397 1.381 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596146670 356791327 /nfs/dbraw/zinc/79/13/27/356791327.db2.gz GVQHFHOUTSFLNJ-LBPRGKRZSA-N 1 1 306.366 1.864 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000276914499 213172692 /nfs/dbraw/zinc/17/26/92/213172692.db2.gz NZIQTFHEEREXCG-CQSZACIVSA-N 1 1 324.377 1.967 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000276914499 213172694 /nfs/dbraw/zinc/17/26/94/213172694.db2.gz NZIQTFHEEREXCG-CQSZACIVSA-N 1 1 324.377 1.967 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)cn1 ZINC000596269404 356838993 /nfs/dbraw/zinc/83/89/93/356838993.db2.gz SZGRULDMJWGVRM-UHFFFAOYSA-N 1 1 306.366 1.681 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596498481 356898522 /nfs/dbraw/zinc/89/85/22/356898522.db2.gz CYPMLVZSTXXNQM-ZDUSSCGKSA-N 1 1 320.393 1.785 20 5 DDBDMO Cc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014779 357040584 /nfs/dbraw/zinc/04/05/84/357040584.db2.gz RYFJYUWLQMFDJU-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C ZINC000597014779 357040587 /nfs/dbraw/zinc/04/05/87/357040587.db2.gz RYFJYUWLQMFDJU-GFCCVEGCSA-N 1 1 316.365 1.718 20 5 DDBDMO Cc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000597202440 357090964 /nfs/dbraw/zinc/09/09/64/357090964.db2.gz AYSPWFSNOOONHB-HNNXBMFYSA-N 1 1 305.378 1.810 20 5 DDBDMO CCOc1cc(C[NH+]2CCC(O)(COC)CC2)ccc1[N+](=O)[O-] ZINC000276836825 213124088 /nfs/dbraw/zinc/12/40/88/213124088.db2.gz BVVWWGNOMUJUEB-UHFFFAOYSA-N 1 1 324.377 1.967 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598217749 357496281 /nfs/dbraw/zinc/49/62/81/357496281.db2.gz AVWDLINCQGLZPI-GFCCVEGCSA-N 1 1 321.381 1.315 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000598341616 357544342 /nfs/dbraw/zinc/54/43/42/357544342.db2.gz DSGPGXBNXHXYGR-ZDUSSCGKSA-N 1 1 323.397 1.399 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000599137647 357827091 /nfs/dbraw/zinc/82/70/91/357827091.db2.gz ARXAVVKTIVUCLD-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000599430459 357932094 /nfs/dbraw/zinc/93/20/94/357932094.db2.gz SEWIJGJAKLCIHE-UHFFFAOYSA-N 1 1 304.306 1.295 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599544293 357967797 /nfs/dbraw/zinc/96/77/97/357967797.db2.gz ZKAOVJMAYWXBGC-CYBMUJFWSA-N 1 1 324.381 1.045 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180006546 199105470 /nfs/dbraw/zinc/10/54/70/199105470.db2.gz JKGBWKCROZKPNB-NSHDSACASA-N 1 1 321.333 1.538 20 5 DDBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600229419 358163309 /nfs/dbraw/zinc/16/33/09/358163309.db2.gz SCSQJYGMXOXABN-CYBMUJFWSA-N 1 1 321.381 1.315 20 5 DDBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000600316297 358195286 /nfs/dbraw/zinc/19/52/86/358195286.db2.gz ZEGKZKQJOWBFFO-SNVBAGLBSA-N 1 1 308.338 1.157 20 5 DDBDMO C[C@H]1COCCN1CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601113556 358407434 /nfs/dbraw/zinc/40/74/34/358407434.db2.gz IDHABUDQEPOIBG-LBPRGKRZSA-N 1 1 316.361 1.698 20 5 DDBDMO CNC(=O)[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601175948 358433938 /nfs/dbraw/zinc/43/39/38/358433938.db2.gz RWGQYNULBCXKCP-JTQLQIEISA-N 1 1 300.318 1.715 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](CO)[C@@H]3CCCOC3)c2c1 ZINC000601176869 358434635 /nfs/dbraw/zinc/43/46/35/358434635.db2.gz SGVZNHMPAOSTDK-BDJLRTHQSA-N 1 1 317.345 1.764 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187901 358439327 /nfs/dbraw/zinc/43/93/27/358439327.db2.gz ZLDPNMLPWLPWRC-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000601187901 358439328 /nfs/dbraw/zinc/43/93/28/358439328.db2.gz ZLDPNMLPWLPWRC-UHFFFAOYSA-N 1 1 322.365 1.697 20 5 DDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+](CCO)CCCO ZINC000602468762 358998102 /nfs/dbraw/zinc/99/81/02/358998102.db2.gz RKUKNMJTMPPHPM-UHFFFAOYSA-N 1 1 322.283 1.790 20 5 DDBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+](CCO)CCCO ZINC000602468762 358998105 /nfs/dbraw/zinc/99/81/05/358998105.db2.gz RKUKNMJTMPPHPM-UHFFFAOYSA-N 1 1 322.283 1.790 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000602784243 359189413 /nfs/dbraw/zinc/18/94/13/359189413.db2.gz RHYUXCCVFNBEGB-OAHLLOKOSA-N 1 1 321.425 1.763 20 5 DDBDMO COCCOC[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787574 359191802 /nfs/dbraw/zinc/19/18/02/359191802.db2.gz ZOTXGDGPARUUSI-CYBMUJFWSA-N 1 1 312.370 1.085 20 5 DDBDMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602723119 359149941 /nfs/dbraw/zinc/14/99/41/359149941.db2.gz QLCOYAFATOOQGC-NSHDSACASA-N 1 1 309.370 1.065 20 5 DDBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602723119 359149944 /nfs/dbraw/zinc/14/99/44/359149944.db2.gz QLCOYAFATOOQGC-NSHDSACASA-N 1 1 309.370 1.065 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602838858 359228934 /nfs/dbraw/zinc/22/89/34/359228934.db2.gz UHSAMPADSVZPNW-GFCCVEGCSA-N 1 1 323.397 1.013 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602961563 359324399 /nfs/dbraw/zinc/32/43/99/359324399.db2.gz VGVOIBOBKLEPCM-LLVKDONJSA-N 1 1 307.354 1.278 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602961563 359324402 /nfs/dbraw/zinc/32/44/02/359324402.db2.gz VGVOIBOBKLEPCM-LLVKDONJSA-N 1 1 307.354 1.278 20 5 DDBDMO CO[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC000602963637 359326912 /nfs/dbraw/zinc/32/69/12/359326912.db2.gz HPSSJNDNLGQSAH-SWLSCSKDSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000603399530 359616350 /nfs/dbraw/zinc/61/63/50/359616350.db2.gz CBZASBFVJJTJQB-NSHDSACASA-N 1 1 307.354 1.074 20 5 DDBDMO C[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000187123682 200064570 /nfs/dbraw/zinc/06/45/70/200064570.db2.gz VWIIABPBVOHXGG-ONGXEEELSA-N 1 1 308.338 1.250 20 5 DDBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187982173 200186508 /nfs/dbraw/zinc/18/65/08/200186508.db2.gz VYNUQHZYQBGADJ-MEDUHNTESA-N 1 1 321.377 1.677 20 5 DDBDMO O=[N+]([O-])c1c(NCC[N@H+]2CCCOCC2)nc2sccn21 ZINC000188498127 200256481 /nfs/dbraw/zinc/25/64/81/200256481.db2.gz WPLPZLJKCQLWBP-UHFFFAOYSA-N 1 1 311.367 1.438 20 5 DDBDMO CC[N@@H+](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000188513336 200259603 /nfs/dbraw/zinc/25/96/03/200259603.db2.gz BQBVXQCRXCZWMQ-UHFFFAOYSA-N 1 1 319.361 1.669 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000608839545 360249586 /nfs/dbraw/zinc/24/95/86/360249586.db2.gz GGCUTFNPQMTGBY-GFCCVEGCSA-N 1 1 309.370 1.009 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239876 360395460 /nfs/dbraw/zinc/39/54/60/360395460.db2.gz AQMAGFYUVPQLAH-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000610712470 360512501 /nfs/dbraw/zinc/51/25/01/360512501.db2.gz BWNUIPZHLWDQTB-MFKMUULPSA-N 1 1 321.381 1.125 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000610912569 360570772 /nfs/dbraw/zinc/57/07/72/360570772.db2.gz YMUVKGTWURJEJS-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000610912569 360570777 /nfs/dbraw/zinc/57/07/77/360570777.db2.gz YMUVKGTWURJEJS-FZMZJTMJSA-N 1 1 307.350 1.352 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610931058 360574241 /nfs/dbraw/zinc/57/42/41/360574241.db2.gz SNDBSIWPRJMYEW-SNVBAGLBSA-N 1 1 321.333 1.063 20 5 DDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610931058 360574247 /nfs/dbraw/zinc/57/42/47/360574247.db2.gz SNDBSIWPRJMYEW-SNVBAGLBSA-N 1 1 321.333 1.063 20 5 DDBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611165974 360643306 /nfs/dbraw/zinc/64/33/06/360643306.db2.gz QQECIQGQLTWOKR-UHFFFAOYSA-N 1 1 307.350 1.124 20 5 DDBDMO CC[N@H+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092113 360620873 /nfs/dbraw/zinc/62/08/73/360620873.db2.gz JAESPISAXNWFTR-CHWSQXEVSA-N 1 1 320.393 1.948 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000611616292 360777555 /nfs/dbraw/zinc/77/75/55/360777555.db2.gz UVILJOULOFNASV-OLZOCXBDSA-N 1 1 308.382 1.498 20 5 DDBDMO COC[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086275 360913439 /nfs/dbraw/zinc/91/34/39/360913439.db2.gz LVWZMVSICSKQBS-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000281389947 216267742 /nfs/dbraw/zinc/26/77/42/216267742.db2.gz GGBLTGDWLZNXDJ-MNOVXSKESA-N 1 1 319.365 1.362 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251939 363945931 /nfs/dbraw/zinc/94/59/31/363945931.db2.gz CBQXYTQMULKXNZ-KBPBESRZSA-N 1 1 307.325 1.853 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275318038 212268599 /nfs/dbraw/zinc/26/85/99/212268599.db2.gz DBEZBKQSBIIHDR-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275318038 212268602 /nfs/dbraw/zinc/26/86/02/212268602.db2.gz DBEZBKQSBIIHDR-VXGBXAGGSA-N 1 1 321.377 1.689 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067545 212102224 /nfs/dbraw/zinc/10/22/24/212102224.db2.gz AHXMBWQYVPLIHR-MWLCHTKSSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067545 212102226 /nfs/dbraw/zinc/10/22/26/212102226.db2.gz AHXMBWQYVPLIHR-MWLCHTKSSA-N 1 1 309.370 1.293 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000275067545 212102227 /nfs/dbraw/zinc/10/22/27/212102227.db2.gz AHXMBWQYVPLIHR-MWLCHTKSSA-N 1 1 309.370 1.293 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000264956126 204300529 /nfs/dbraw/zinc/30/05/29/204300529.db2.gz YSWSUELVBOJRJJ-GFCCVEGCSA-N 1 1 306.366 1.485 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000338564705 250032524 /nfs/dbraw/zinc/03/25/24/250032524.db2.gz JMYVMABBGFMYJF-LLVKDONJSA-N 1 1 305.334 1.834 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000338564705 250032528 /nfs/dbraw/zinc/03/25/28/250032528.db2.gz JMYVMABBGFMYJF-LLVKDONJSA-N 1 1 305.334 1.834 20 5 DDBDMO O=C(CC[N@H+](CCO)CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352491454 285088440 /nfs/dbraw/zinc/08/84/40/285088440.db2.gz QECDQLIJNHHZPB-UHFFFAOYSA-N 1 1 307.350 1.628 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000459544318 533138110 /nfs/dbraw/zinc/13/81/10/533138110.db2.gz DIBDFDAKLYMXSC-UHFFFAOYSA-N 1 1 324.381 1.472 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000352696691 285235133 /nfs/dbraw/zinc/23/51/33/285235133.db2.gz JZUVJRYQXCGMNN-QEJZJMRPSA-N 1 1 310.350 1.180 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451578804 533414727 /nfs/dbraw/zinc/41/47/27/533414727.db2.gz XRDYSKLTIYLPEE-UMVBOHGHSA-N 1 1 324.377 1.691 20 5 DDBDMO C[C@@H](O)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)CO ZINC000444686808 533658930 /nfs/dbraw/zinc/65/89/30/533658930.db2.gz UEMOKZFSLIMOIA-NXEZZACHSA-N 1 1 308.338 1.035 20 5 DDBDMO C[C@@H](O)C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)CO ZINC000444686808 533658940 /nfs/dbraw/zinc/65/89/40/533658940.db2.gz UEMOKZFSLIMOIA-NXEZZACHSA-N 1 1 308.338 1.035 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000579714561 422821271 /nfs/dbraw/zinc/82/12/71/422821271.db2.gz YCVKDXZUZMZMGE-LLVKDONJSA-N 1 1 322.365 1.543 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000070076740 406808117 /nfs/dbraw/zinc/80/81/17/406808117.db2.gz RUABHDYNFGQKBJ-QWRGUYRKSA-N 1 1 313.379 1.274 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000072061742 406873014 /nfs/dbraw/zinc/87/30/14/406873014.db2.gz PZNZFAXZPFRYRO-LLVKDONJSA-N 1 1 309.370 1.477 20 5 DDBDMO CCC[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076951591 406975364 /nfs/dbraw/zinc/97/53/64/406975364.db2.gz WOHSSDRVBSWCIR-UHFFFAOYSA-N 1 1 307.350 1.188 20 5 DDBDMO COCCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078372894 407026707 /nfs/dbraw/zinc/02/67/07/407026707.db2.gz ZPBAWIOLFCARLI-UHFFFAOYSA-N 1 1 312.326 1.883 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000123383820 407327367 /nfs/dbraw/zinc/32/73/67/407327367.db2.gz DRDXDQFNYBQQNK-SECBINFHSA-N 1 1 317.342 1.012 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](CO)C3)n2)c1 ZINC000265831904 407476225 /nfs/dbraw/zinc/47/62/25/407476225.db2.gz MRNRBOQZTUBJEL-NSHDSACASA-N 1 1 318.333 1.849 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](CO)C3)n2)c1 ZINC000265831904 407476230 /nfs/dbraw/zinc/47/62/30/407476230.db2.gz MRNRBOQZTUBJEL-NSHDSACASA-N 1 1 318.333 1.849 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000170694053 407477699 /nfs/dbraw/zinc/47/76/99/407477699.db2.gz HEPFHDBBPRDYDY-UHFFFAOYSA-N 1 1 321.381 1.581 20 5 DDBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261685019 407577990 /nfs/dbraw/zinc/57/79/90/407577990.db2.gz MUOBWRBDLVZFLP-VIFPVBQESA-N 1 1 317.342 1.012 20 5 DDBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000186487616 407678936 /nfs/dbraw/zinc/67/89/36/407678936.db2.gz AEUAVUKWMKYAIH-HZMBPMFUSA-N 1 1 317.349 1.739 20 5 DDBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000171649825 407733385 /nfs/dbraw/zinc/73/33/85/407733385.db2.gz HCIAYNMIZCLYMU-NSHDSACASA-N 1 1 306.366 1.877 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354279709 298391610 /nfs/dbraw/zinc/39/16/10/298391610.db2.gz CTRXGBHZSNVOCK-SNVBAGLBSA-N 1 1 311.363 1.110 20 5 DDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354279709 298391612 /nfs/dbraw/zinc/39/16/12/298391612.db2.gz CTRXGBHZSNVOCK-SNVBAGLBSA-N 1 1 311.363 1.110 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000153591223 407858802 /nfs/dbraw/zinc/85/88/02/407858802.db2.gz KAVXBAOXXYTIJZ-UHFFFAOYSA-N 1 1 317.349 1.965 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000268135974 407906320 /nfs/dbraw/zinc/90/63/20/407906320.db2.gz CIGUGXFLKUAGKB-NOZJJQNGSA-N 1 1 304.350 1.390 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000245466484 407992318 /nfs/dbraw/zinc/99/23/18/407992318.db2.gz ZBIWUFYWKRZQKS-YPMHNXCESA-N 1 1 319.361 1.912 20 5 DDBDMO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000181545157 408012537 /nfs/dbraw/zinc/01/25/37/408012537.db2.gz YJIAXYPPVILBFZ-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000181545157 408012542 /nfs/dbraw/zinc/01/25/42/408012542.db2.gz YJIAXYPPVILBFZ-QWHCGFSZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154747829 408077723 /nfs/dbraw/zinc/07/77/23/408077723.db2.gz SAEWQPORRKZVSO-NSHDSACASA-N 1 1 314.345 1.967 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182492208 408178716 /nfs/dbraw/zinc/17/87/16/408178716.db2.gz LZPBWQMQNGGYDP-XQQFMLRXSA-N 1 1 310.350 1.037 20 5 DDBDMO COc1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000182675621 408221426 /nfs/dbraw/zinc/22/14/26/408221426.db2.gz PJQZIUWKGUKXFW-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000182675621 408221430 /nfs/dbraw/zinc/22/14/30/408221430.db2.gz PJQZIUWKGUKXFW-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269427720 408305553 /nfs/dbraw/zinc/30/55/53/408305553.db2.gz OJQKNFJRHJVVPE-CMPLNLGQSA-N 1 1 318.381 1.420 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000269432747 408308480 /nfs/dbraw/zinc/30/84/80/408308480.db2.gz CIWNUFWVEGQKAL-KOLCDFICSA-N 1 1 321.381 1.654 20 5 DDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)[NH+]1CCN(C)CC1 ZINC000263919403 408313596 /nfs/dbraw/zinc/31/35/96/408313596.db2.gz RWFDXSJZRRUXNN-JTQLQIEISA-N 1 1 320.353 1.179 20 5 DDBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000274433782 408404053 /nfs/dbraw/zinc/40/40/53/408404053.db2.gz GHVURZFCBMBNIY-NSHDSACASA-N 1 1 324.356 1.919 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000264438277 408489536 /nfs/dbraw/zinc/48/95/36/408489536.db2.gz BJYCJJTYMZGVIA-BTKRWWFXSA-N 1 1 319.361 1.445 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000177030511 408501157 /nfs/dbraw/zinc/50/11/57/408501157.db2.gz FQINRWJALAEYQL-LLVKDONJSA-N 1 1 306.366 1.733 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534278 408566283 /nfs/dbraw/zinc/56/62/83/408566283.db2.gz WDMVXQYWFPEHNU-SWLSCSKDSA-N 1 1 321.377 1.793 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270534278 408566287 /nfs/dbraw/zinc/56/62/87/408566287.db2.gz WDMVXQYWFPEHNU-SWLSCSKDSA-N 1 1 321.377 1.793 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000264609586 408539973 /nfs/dbraw/zinc/53/99/73/408539973.db2.gz ZDAMVITUNCKZRT-ZDUSSCGKSA-N 1 1 307.350 1.354 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690368 408631896 /nfs/dbraw/zinc/63/18/96/408631896.db2.gz CVCKGRKQBODRJU-GHMZBOCLSA-N 1 1 319.361 1.958 20 5 DDBDMO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](CC)C3)c1[N+](=O)[O-] ZINC000192688215 408632579 /nfs/dbraw/zinc/63/25/79/408632579.db2.gz VINLCSHBZIEAMB-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](CC)C3)c1[N+](=O)[O-] ZINC000192688215 408632584 /nfs/dbraw/zinc/63/25/84/408632584.db2.gz VINLCSHBZIEAMB-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](CC)C3)c1[N+](=O)[O-] ZINC000192688215 408632588 /nfs/dbraw/zinc/63/25/88/408632588.db2.gz VINLCSHBZIEAMB-WDEREUQCSA-N 1 1 321.381 1.579 20 5 DDBDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000265653649 408731366 /nfs/dbraw/zinc/73/13/66/408731366.db2.gz XZLJFJJBDVHVBS-CYBMUJFWSA-N 1 1 322.365 1.115 20 5 DDBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000163605339 408784023 /nfs/dbraw/zinc/78/40/23/408784023.db2.gz ROOLIICVJQQSGG-LLVKDONJSA-N 1 1 323.397 1.569 20 5 DDBDMO O=C1NCC[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178206434 408786693 /nfs/dbraw/zinc/78/66/93/408786693.db2.gz LOHMIJZNRBHBRW-AWEZNQCLSA-N 1 1 305.334 1.327 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249733596 408758698 /nfs/dbraw/zinc/75/86/98/408758698.db2.gz CLDIVELLORBZQE-GHMZBOCLSA-N 1 1 323.397 1.487 20 5 DDBDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105852 408758889 /nfs/dbraw/zinc/75/88/89/408758889.db2.gz VCVIFEGTUZTYFE-GIPWTMENSA-N 1 1 300.380 1.672 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501257 408872177 /nfs/dbraw/zinc/87/21/77/408872177.db2.gz JMWODCZBGYTLRB-YMTOWFKASA-N 1 1 304.350 1.390 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286989442 409003118 /nfs/dbraw/zinc/00/31/18/409003118.db2.gz GXVHQJYVZHKGAX-MNOVXSKESA-N 1 1 307.354 1.325 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000281952717 408959357 /nfs/dbraw/zinc/95/93/57/408959357.db2.gz FQKFDWBHJKQAIU-FZMZJTMJSA-N 1 1 307.350 1.626 20 5 DDBDMO C[N@@H+](Cc1ccccc1)C1CN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000286391343 408976242 /nfs/dbraw/zinc/97/62/42/408976242.db2.gz OYFSBMPRLTYOIP-UHFFFAOYSA-N 1 1 314.349 1.288 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310710 409017626 /nfs/dbraw/zinc/01/76/26/409017626.db2.gz JKGPJECJYBQGSE-OCCSQVGLSA-N 1 1 312.366 1.427 20 5 DDBDMO CC[C@@H](C)[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000287310715 409017992 /nfs/dbraw/zinc/01/79/92/409017992.db2.gz JKGPJECJYBQGSE-TZMCWYRMSA-N 1 1 312.366 1.427 20 5 DDBDMO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000282349963 409039046 /nfs/dbraw/zinc/03/90/46/409039046.db2.gz ANMHSDHKQXSCPT-ZDUSSCGKSA-N 1 1 305.334 1.564 20 5 DDBDMO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(C)C1=O ZINC000282349963 409039047 /nfs/dbraw/zinc/03/90/47/409039047.db2.gz ANMHSDHKQXSCPT-ZDUSSCGKSA-N 1 1 305.334 1.564 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293346393 409093843 /nfs/dbraw/zinc/09/38/43/409093843.db2.gz HLNZEXCDKNZFDQ-XQQFMLRXSA-N 1 1 320.393 1.946 20 5 DDBDMO CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000283142077 409096916 /nfs/dbraw/zinc/09/69/16/409096916.db2.gz XXLSIIATKJWCIE-SNVBAGLBSA-N 1 1 305.294 1.546 20 5 DDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[N@@H+](C)C1CC1 ZINC000279311304 409190174 /nfs/dbraw/zinc/19/01/74/409190174.db2.gz AVQBEAIVROXNKN-QMMMGPOBSA-N 1 1 310.329 1.529 20 5 DDBDMO O=C1[C@H]([N@@H+]2CC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432673 409623814 /nfs/dbraw/zinc/62/38/14/409623814.db2.gz PMDHQMOOWZFLDO-SMDDNHRTSA-N 1 1 305.334 1.014 20 5 DDBDMO O=C1[C@H]([N@H+]2CC[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000304432673 409623822 /nfs/dbraw/zinc/62/38/22/409623822.db2.gz PMDHQMOOWZFLDO-SMDDNHRTSA-N 1 1 305.334 1.014 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)(C)O ZINC000304121991 409577956 /nfs/dbraw/zinc/57/79/56/409577956.db2.gz RFHHEXAPMIZBFR-UHFFFAOYSA-N 1 1 309.366 1.935 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342451402 409642714 /nfs/dbraw/zinc/64/27/14/409642714.db2.gz PAVZHJAPORMNHZ-YMTOWFKASA-N 1 1 304.350 1.511 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000345167194 409654638 /nfs/dbraw/zinc/65/46/38/409654638.db2.gz XVMKPUBDQJDZCV-NEPJUHHUSA-N 1 1 320.393 1.873 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356851428 409665875 /nfs/dbraw/zinc/66/58/75/409665875.db2.gz MPTRJULPERWSEL-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356851428 409665884 /nfs/dbraw/zinc/66/58/84/409665884.db2.gz MPTRJULPERWSEL-RKDXNWHRSA-N 1 1 310.329 1.481 20 5 DDBDMO C[N@@H+](CC[C@@H]1CCCO1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342602185 409757063 /nfs/dbraw/zinc/75/70/63/409757063.db2.gz LWWGOVZWSFESCM-KBPBESRZSA-N 1 1 324.377 1.835 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000354385294 409814538 /nfs/dbraw/zinc/81/45/38/409814538.db2.gz CTOWRJJSCWJBOP-WCQYABFASA-N 1 1 323.397 1.431 20 5 DDBDMO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000320233249 409904011 /nfs/dbraw/zinc/90/40/11/409904011.db2.gz HQWCRHGZFNNQIQ-HTQZYQBOSA-N 1 1 305.331 1.138 20 5 DDBDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000357154822 409907443 /nfs/dbraw/zinc/90/74/43/409907443.db2.gz FKXLWESIFCHIGF-AWEZNQCLSA-N 1 1 307.350 1.240 20 5 DDBDMO CC[N@H+]1CCO[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000357154822 409907450 /nfs/dbraw/zinc/90/74/50/409907450.db2.gz FKXLWESIFCHIGF-AWEZNQCLSA-N 1 1 307.350 1.240 20 5 DDBDMO CC(C)[C@H](CNc1ccncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000316708002 409858292 /nfs/dbraw/zinc/85/82/92/409858292.db2.gz ZFZJIULWDLHROF-AWEZNQCLSA-N 1 1 307.398 1.674 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332355522 410088475 /nfs/dbraw/zinc/08/84/75/410088475.db2.gz PVAOXFIMSDRNFB-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@H](C)C1 ZINC000332355522 410088484 /nfs/dbraw/zinc/08/84/84/410088484.db2.gz PVAOXFIMSDRNFB-NEPJUHHUSA-N 1 1 307.350 1.890 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000343041832 410096140 /nfs/dbraw/zinc/09/61/40/410096140.db2.gz GWXWIDCXVMUTNS-SECBINFHSA-N 1 1 317.305 1.400 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(CCO)CCOCC1 ZINC000355021056 410247149 /nfs/dbraw/zinc/24/71/49/410247149.db2.gz ZBGKANCPTFQJLF-UHFFFAOYSA-N 1 1 324.377 1.837 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](CC)CN1C(C)=O ZINC000357907374 410321499 /nfs/dbraw/zinc/32/14/99/410321499.db2.gz FEJWCSRNMBXCBN-ZIAGYGMSSA-N 1 1 323.397 1.513 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000352013314 410411913 /nfs/dbraw/zinc/41/19/13/410411913.db2.gz IPRQUWYDWRMPJD-QWRGUYRKSA-N 1 1 309.370 1.041 20 5 DDBDMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343525035 410508676 /nfs/dbraw/zinc/50/86/76/410508676.db2.gz LSZZEVSEIMJNMJ-PWSUYJOCSA-N 1 1 307.350 1.816 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000352203421 410544652 /nfs/dbraw/zinc/54/46/52/410544652.db2.gz RRUXDFFSQLKSSD-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000352203421 410544656 /nfs/dbraw/zinc/54/46/56/410544656.db2.gz RRUXDFFSQLKSSD-GFCCVEGCSA-N 1 1 323.349 1.653 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000359519092 410704382 /nfs/dbraw/zinc/70/43/82/410704382.db2.gz QVMRSNAXQAYQHG-GFCCVEGCSA-N 1 1 308.382 1.880 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H]1CCO)Nc1ccccc1[N+](=O)[O-] ZINC000337409949 410764471 /nfs/dbraw/zinc/76/44/71/410764471.db2.gz LCCGQADXXQZTFB-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000302750016 410857527 /nfs/dbraw/zinc/85/75/27/410857527.db2.gz GWKLHYSZFDCPBI-GXSJLCMTSA-N 1 1 320.349 1.814 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000330663424 410859457 /nfs/dbraw/zinc/85/94/57/410859457.db2.gz FCCVQLYOJRHALH-LBPRGKRZSA-N 1 1 306.366 1.478 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@H]1C ZINC000330665857 410862529 /nfs/dbraw/zinc/86/25/29/410862529.db2.gz HJMAGSLFNVTKRL-GFCCVEGCSA-N 1 1 306.366 1.478 20 5 DDBDMO CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000330602312 410817489 /nfs/dbraw/zinc/81/74/89/410817489.db2.gz FHKOUZBNQXMHOU-GXTWGEPZSA-N 1 1 323.393 1.577 20 5 DDBDMO CC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000330602312 410817498 /nfs/dbraw/zinc/81/74/98/410817498.db2.gz FHKOUZBNQXMHOU-GXTWGEPZSA-N 1 1 323.393 1.577 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359809572 410893194 /nfs/dbraw/zinc/89/31/94/410893194.db2.gz QLVCZUSGVSTSNL-SNVBAGLBSA-N 1 1 309.370 1.422 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCC1 ZINC000353481976 411021220 /nfs/dbraw/zinc/02/12/20/411021220.db2.gz DTKAMKJZRYOSKH-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC(O)C1 ZINC000353498200 411033238 /nfs/dbraw/zinc/03/32/38/411033238.db2.gz UGAZJJIBWBSGEC-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC(O)C1 ZINC000353498200 411033245 /nfs/dbraw/zinc/03/32/45/411033245.db2.gz UGAZJJIBWBSGEC-UHFFFAOYSA-N 1 1 313.741 1.642 20 5 DDBDMO COc1cc(C[NH2+]Cc2cnc(C)[nH]c2=O)c([N+](=O)[O-])cc1O ZINC000344332604 411094554 /nfs/dbraw/zinc/09/45/54/411094554.db2.gz OTWGGHYNOLIBRN-UHFFFAOYSA-N 1 1 320.305 1.403 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000129571616 196058977 /nfs/dbraw/zinc/05/89/77/196058977.db2.gz DIDQJMAECMOXLG-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000516314129 416721460 /nfs/dbraw/zinc/72/14/60/416721460.db2.gz XHVVEDRPFPUWRR-NXEZZACHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000516314129 416721462 /nfs/dbraw/zinc/72/14/62/416721462.db2.gz XHVVEDRPFPUWRR-NXEZZACHSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360945989 418551718 /nfs/dbraw/zinc/55/17/18/418551718.db2.gz SUXNAGYZENRUNZ-MFKMUULPSA-N 1 1 318.377 1.849 20 5 DDBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000360967103 418556641 /nfs/dbraw/zinc/55/66/41/418556641.db2.gz WZIMKJVAABQKBE-NSHDSACASA-N 1 1 311.386 1.413 20 5 DDBDMO O=C1[C@@H]([N@@H+]2C[C@@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316762 418628155 /nfs/dbraw/zinc/62/81/55/418628155.db2.gz ZHMWGBYYEFISPT-UONOGXRCSA-N 1 1 317.345 1.157 20 5 DDBDMO O=C1[C@@H]([N@H+]2C[C@@H](O)C3(CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375316762 418628156 /nfs/dbraw/zinc/62/81/56/418628156.db2.gz ZHMWGBYYEFISPT-UONOGXRCSA-N 1 1 317.345 1.157 20 5 DDBDMO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361427936 418650860 /nfs/dbraw/zinc/65/08/60/418650860.db2.gz WGDZQNFAWDESAN-CQSZACIVSA-N 1 1 319.361 1.329 20 5 DDBDMO CC1(C)[C@H](O)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361427936 418650863 /nfs/dbraw/zinc/65/08/63/418650863.db2.gz WGDZQNFAWDESAN-CQSZACIVSA-N 1 1 319.361 1.329 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000361361229 418634680 /nfs/dbraw/zinc/63/46/80/418634680.db2.gz DLPCIWCGZTTYHS-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362572 418636141 /nfs/dbraw/zinc/63/61/41/418636141.db2.gz TYPVGOVIHFKGSI-NEPJUHHUSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000361362572 418636144 /nfs/dbraw/zinc/63/61/44/418636144.db2.gz TYPVGOVIHFKGSI-NEPJUHHUSA-N 1 1 307.350 1.951 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367995054 418671439 /nfs/dbraw/zinc/67/14/39/418671439.db2.gz XRBUYXLXWCYHGV-LLVKDONJSA-N 1 1 320.349 1.039 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367995054 418671440 /nfs/dbraw/zinc/67/14/40/418671440.db2.gz XRBUYXLXWCYHGV-LLVKDONJSA-N 1 1 320.349 1.039 20 5 DDBDMO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000382486491 418731099 /nfs/dbraw/zinc/73/10/99/418731099.db2.gz GTGOHOPRRAUTAQ-RKDXNWHRSA-N 1 1 317.342 1.140 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@H]21 ZINC000408404819 418801766 /nfs/dbraw/zinc/80/17/66/418801766.db2.gz JWRRITFUDABSQC-KGLIPLIRSA-N 1 1 304.350 1.082 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000371825690 418820510 /nfs/dbraw/zinc/82/05/10/418820510.db2.gz XRPUQOWYRGBFKX-ZDUSSCGKSA-N 1 1 302.334 1.982 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000371825690 418820513 /nfs/dbraw/zinc/82/05/13/418820513.db2.gz XRPUQOWYRGBFKX-ZDUSSCGKSA-N 1 1 302.334 1.982 20 5 DDBDMO COc1ccc(OCCN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000411150677 418873914 /nfs/dbraw/zinc/87/39/14/418873914.db2.gz XDOKTSWEFVOFDY-UHFFFAOYSA-N 1 1 309.366 1.620 20 5 DDBDMO C[N@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000411157155 418874871 /nfs/dbraw/zinc/87/48/71/418874871.db2.gz PXZGOYHOVWKEFD-HNNXBMFYSA-N 1 1 318.377 1.338 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000372483319 418875844 /nfs/dbraw/zinc/87/58/44/418875844.db2.gz UIJHTGYPADMOLL-AWEZNQCLSA-N 1 1 317.349 1.902 20 5 DDBDMO CC(C)(O)C[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000372552581 418882674 /nfs/dbraw/zinc/88/26/74/418882674.db2.gz KESNRPZYJSJEDK-UHFFFAOYSA-N 1 1 307.394 1.873 20 5 DDBDMO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000365633760 418885806 /nfs/dbraw/zinc/88/58/06/418885806.db2.gz WIWGCESWCKCTOQ-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000365633760 418885810 /nfs/dbraw/zinc/88/58/10/418885810.db2.gz WIWGCESWCKCTOQ-LLVKDONJSA-N 1 1 304.354 1.441 20 5 DDBDMO COCC[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000365846812 418915939 /nfs/dbraw/zinc/91/59/39/418915939.db2.gz KNWAHHBYHYKQOR-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO COCC[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000365846812 418915940 /nfs/dbraw/zinc/91/59/40/418915940.db2.gz KNWAHHBYHYKQOR-AWEZNQCLSA-N 1 1 310.350 1.711 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1CCO ZINC000426215037 419405389 /nfs/dbraw/zinc/40/53/89/419405389.db2.gz HQYHBTWWEVELDJ-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000426215037 419405398 /nfs/dbraw/zinc/40/53/98/419405398.db2.gz HQYHBTWWEVELDJ-GFCCVEGCSA-N 1 1 307.350 1.689 20 5 DDBDMO O=C(CC[N@@H+](C1CC1)C1COC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411775928 419405479 /nfs/dbraw/zinc/40/54/79/419405479.db2.gz ZCXJGSJOJLHOGE-UHFFFAOYSA-N 1 1 305.334 1.787 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000421008934 419444508 /nfs/dbraw/zinc/44/45/08/419444508.db2.gz HHEWYXVBYPLVEQ-QMTHXVAHSA-N 1 1 308.334 1.807 20 5 DDBDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000421008934 419444517 /nfs/dbraw/zinc/44/45/17/419444517.db2.gz HHEWYXVBYPLVEQ-QMTHXVAHSA-N 1 1 308.334 1.807 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421041762 419465925 /nfs/dbraw/zinc/46/59/25/419465925.db2.gz YPJDGCDNRPXWOY-UKRRQHHQSA-N 1 1 308.334 1.199 20 5 DDBDMO C[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000412038602 419579313 /nfs/dbraw/zinc/57/93/13/419579313.db2.gz OSUXFJMZOKOXFF-RISCZKNCSA-N 1 1 307.350 1.626 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418539847 419864824 /nfs/dbraw/zinc/86/48/24/419864824.db2.gz NXBADLFGNXPDMX-UHFFFAOYSA-N 1 1 314.292 1.257 20 5 DDBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(F)(F)C[NH3+] ZINC000414939621 419884601 /nfs/dbraw/zinc/88/46/01/419884601.db2.gz ZCSWEDVFXVTHMF-VIFPVBQESA-N 1 1 316.308 1.496 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000299655989 229304694 /nfs/dbraw/zinc/30/46/94/229304694.db2.gz PNEAYXYMBUUSEC-UHFFFAOYSA-N 1 1 320.393 1.271 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]([NH3+])C1CC1 ZINC000423317288 420011273 /nfs/dbraw/zinc/01/12/73/420011273.db2.gz KGMTZPDVIJGKJM-YGRLFVJLSA-N 1 1 306.366 1.639 20 5 DDBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](N)C1CC1 ZINC000423317288 420011276 /nfs/dbraw/zinc/01/12/76/420011276.db2.gz KGMTZPDVIJGKJM-YGRLFVJLSA-N 1 1 306.366 1.639 20 5 DDBDMO Cn1c2cc(F)ccc2[nH+]c1NCCn1cc([N+](=O)[O-])cn1 ZINC000431404129 420238179 /nfs/dbraw/zinc/23/81/79/420238179.db2.gz NZYJMCWVBHAFDW-UHFFFAOYSA-N 1 1 304.285 1.929 20 5 DDBDMO COc1ccc(CN[C@@H](C)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422951209 533684037 /nfs/dbraw/zinc/68/40/37/533684037.db2.gz ZWAARSCEDWYBJX-AAEUAGOBSA-N 1 1 309.366 1.460 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000457092332 420610025 /nfs/dbraw/zinc/61/00/25/420610025.db2.gz XIGCBLCKNDSHMI-CYBMUJFWSA-N 1 1 321.377 1.915 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459657308 420840764 /nfs/dbraw/zinc/84/07/64/420840764.db2.gz FQDQOCPPLVNBHD-KBPBESRZSA-N 1 1 319.361 1.257 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717124 421107378 /nfs/dbraw/zinc/10/73/78/421107378.db2.gz KGBTXMSTHOJIKE-JQWIXIFHSA-N 1 1 318.333 1.848 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725761 421108278 /nfs/dbraw/zinc/10/82/78/421108278.db2.gz BDKBKHIBIKDFHE-VXGBXAGGSA-N 1 1 307.350 1.260 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000456343861 421144782 /nfs/dbraw/zinc/14/47/82/421144782.db2.gz GTTOMRXRMQFSBP-CYBMUJFWSA-N 1 1 321.377 1.916 20 5 DDBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456379835 421155375 /nfs/dbraw/zinc/15/53/75/421155375.db2.gz NISFKJVQZWTSBB-NSHDSACASA-N 1 1 308.338 1.252 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450594320 421214335 /nfs/dbraw/zinc/21/43/35/421214335.db2.gz KIICISMXHIRXGT-NSHDSACASA-N 1 1 314.773 1.902 20 5 DDBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000525096697 421277666 /nfs/dbraw/zinc/27/76/66/421277666.db2.gz IQPZYFITMNSIJW-UHFFFAOYSA-N 1 1 305.338 1.648 20 5 DDBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548955260 421487897 /nfs/dbraw/zinc/48/78/97/421487897.db2.gz ZACBQHAHPAFBLT-CHWSQXEVSA-N 1 1 315.333 1.493 20 5 DDBDMO C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000519643614 421712913 /nfs/dbraw/zinc/71/29/13/421712913.db2.gz WSUGYLISVYPOJL-QWHCGFSZSA-N 1 1 320.393 1.996 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573525062 421974601 /nfs/dbraw/zinc/97/46/01/421974601.db2.gz MNXCMIZICFTCNY-UHFFFAOYSA-N 1 1 315.333 1.589 20 5 DDBDMO C[N@H+]1C[C@@H](CNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000591985362 422328499 /nfs/dbraw/zinc/32/84/99/422328499.db2.gz HKKDBBMYVBYAAR-HIFRSBDPSA-N 1 1 313.361 2.142 20 5 DDBDMO CC(C)C[N@@H+](C)CCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000593480077 422338411 /nfs/dbraw/zinc/33/84/11/422338411.db2.gz MBOSQXIAUGBJKY-UHFFFAOYSA-N 1 1 306.370 2.027 20 5 DDBDMO Cc1cc(CO)cc(NCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596123023 422364818 /nfs/dbraw/zinc/36/48/18/422364818.db2.gz XBOWUHHTRUJTEO-UHFFFAOYSA-N 1 1 303.318 2.281 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762473 422323288 /nfs/dbraw/zinc/32/32/88/422323288.db2.gz ZTSGLGRQVLBKBL-BXUZGUMPSA-N 1 1 307.350 1.687 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]12CCOC2 ZINC000341956078 271258791 /nfs/dbraw/zinc/25/87/91/271258791.db2.gz SKIYNELTTRYQKY-CJNGLKHVSA-N 1 1 322.361 1.589 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000345308425 272215409 /nfs/dbraw/zinc/21/54/09/272215409.db2.gz WZBOILMMRLHXGD-VHSXEESVSA-N 1 1 309.370 1.654 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000172940884 275035866 /nfs/dbraw/zinc/03/58/66/275035866.db2.gz XYVJLBNPFBYHTD-CYBMUJFWSA-N 1 1 323.368 1.888 20 5 DDBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000172940884 275035867 /nfs/dbraw/zinc/03/58/67/275035867.db2.gz XYVJLBNPFBYHTD-CYBMUJFWSA-N 1 1 323.368 1.888 20 5 DDBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000287222681 276199085 /nfs/dbraw/zinc/19/90/85/276199085.db2.gz ITYHSJKMISFBTO-CQSZACIVSA-N 1 1 319.409 1.393 20 5 DDBDMO C[N@H+]1CCO[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000153110538 277131406 /nfs/dbraw/zinc/13/14/06/277131406.db2.gz LTIMTAYWLLBBPA-GJZGRUSLSA-N 1 1 314.345 1.662 20 5 DDBDMO CNC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170917241 277226153 /nfs/dbraw/zinc/22/61/53/277226153.db2.gz PCGKOUURVOSUAA-UHFFFAOYSA-N 1 1 309.366 1.950 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332584815 278264886 /nfs/dbraw/zinc/26/48/86/278264886.db2.gz IAQOHTLHEPBUQT-LBPRGKRZSA-N 1 1 306.366 1.069 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332584815 278264888 /nfs/dbraw/zinc/26/48/88/278264888.db2.gz IAQOHTLHEPBUQT-LBPRGKRZSA-N 1 1 306.366 1.069 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000264827604 279800075 /nfs/dbraw/zinc/80/00/75/279800075.db2.gz SKKXCINKQKAVDP-UHFFFAOYSA-N 1 1 309.391 1.302 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933162 281029923 /nfs/dbraw/zinc/02/99/23/281029923.db2.gz DLNGUECRMIZDCE-QWHCGFSZSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000089933162 281029925 /nfs/dbraw/zinc/02/99/25/281029925.db2.gz DLNGUECRMIZDCE-QWHCGFSZSA-N 1 1 321.377 1.650 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000125286807 281205837 /nfs/dbraw/zinc/20/58/37/281205837.db2.gz LJSJMAZWIYLTEW-ZDUSSCGKSA-N 1 1 318.377 1.757 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290732637 290241077 /nfs/dbraw/zinc/24/10/77/290241077.db2.gz GCQVBDUUNXUHKH-JQWIXIFHSA-N 1 1 319.365 1.009 20 5 DDBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369353102 301170370 /nfs/dbraw/zinc/17/03/70/301170370.db2.gz BLYCICCETVHSGG-QGZVFWFLSA-N 1 1 318.421 1.807 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)o2)c1 ZINC000370385923 301328143 /nfs/dbraw/zinc/32/81/43/301328143.db2.gz HLDKAWJFYPQMRQ-KGLIPLIRSA-N 1 1 318.329 1.782 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000376307852 302061395 /nfs/dbraw/zinc/06/13/95/302061395.db2.gz QCLVJRIPKQUMSI-UHFFFAOYSA-N 1 1 307.354 1.130 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000530819581 303214039 /nfs/dbraw/zinc/21/40/39/303214039.db2.gz WOBPIFUDQADKAG-ZDUSSCGKSA-N 1 1 320.393 1.737 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531912025 303265718 /nfs/dbraw/zinc/26/57/18/303265718.db2.gz QPXMKRKSUVLUTE-NEPJUHHUSA-N 1 1 309.370 1.384 20 5 DDBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000536608799 303365532 /nfs/dbraw/zinc/36/55/32/303365532.db2.gz RRAFJVGRAVLPBN-NEPJUHHUSA-N 1 1 321.377 1.697 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561216286 303835424 /nfs/dbraw/zinc/83/54/24/303835424.db2.gz SPTVUNUDXOBYAN-UHFFFAOYSA-N 1 1 314.292 1.257 20 5 DDBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000361732383 307004844 /nfs/dbraw/zinc/00/48/44/307004844.db2.gz CEGXAXBNRYVPEV-AWEZNQCLSA-N 1 1 312.297 1.546 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3ccncn3)C2)n1 ZINC000363428955 307027828 /nfs/dbraw/zinc/02/78/28/307027828.db2.gz FNFJTZQLRHZKIQ-LBPRGKRZSA-N 1 1 302.338 1.461 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000372894233 307175710 /nfs/dbraw/zinc/17/57/10/307175710.db2.gz YCCJGENSGILAKK-UHFFFAOYSA-N 1 1 319.361 1.914 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncccc3O)C2)nc1 ZINC000565976313 308039905 /nfs/dbraw/zinc/03/99/05/308039905.db2.gz AWDCFFKUPHWXLH-NSHDSACASA-N 1 1 315.333 1.777 20 5 DDBDMO C[C@@H](CCN(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572714622 308222832 /nfs/dbraw/zinc/22/28/32/308222832.db2.gz RQYSJKBVGMQUML-LBPRGKRZSA-N 1 1 308.382 1.853 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582367942 326020592 /nfs/dbraw/zinc/02/05/92/326020592.db2.gz NJISUZKRKDJBQY-HNNXBMFYSA-N 1 1 307.394 1.872 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452344048 534333802 /nfs/dbraw/zinc/33/38/02/534333802.db2.gz CEPBCOXNDTVKRL-AWEZNQCLSA-N 1 1 321.377 1.480 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000154398279 527313373 /nfs/dbraw/zinc/31/33/73/527313373.db2.gz DWVCBCMWPDXPEA-DOMZBBRYSA-N 1 1 318.377 1.855 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330890007 528548312 /nfs/dbraw/zinc/54/83/12/528548312.db2.gz BPXYYFSFWDHXDO-VHSXEESVSA-N 1 1 309.370 1.483 20 5 DDBDMO CC[N@@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(C)C ZINC000736536540 598352676 /nfs/dbraw/zinc/35/26/76/598352676.db2.gz LBECYSCQPOIHKU-UHFFFAOYSA-N 1 1 319.369 1.917 20 5 DDBDMO Cc1cccc(NCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC000126353595 696761626 /nfs/dbraw/zinc/76/16/26/696761626.db2.gz KFGRLHFHZIWRHC-UHFFFAOYSA-N 1 1 315.333 1.722 20 5 DDBDMO COc1ccccc1OCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176213668 697403135 /nfs/dbraw/zinc/40/31/35/697403135.db2.gz GPLUCOGAFNFJCG-UHFFFAOYSA-N 1 1 320.349 1.811 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000776585904 698122085 /nfs/dbraw/zinc/12/20/85/698122085.db2.gz CTBGIDVLTUBFEA-KGLIPLIRSA-N 1 1 312.391 1.428 20 5 DDBDMO COCCO[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961836 698666413 /nfs/dbraw/zinc/66/64/13/698666413.db2.gz JQDUYENKQWAOEK-CABCVRRESA-N 1 1 310.350 1.366 20 5 DDBDMO Cc1nn(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000782914319 698784124 /nfs/dbraw/zinc/78/41/24/698784124.db2.gz SNVONUHHIOPWHE-GFCCVEGCSA-N 1 1 323.397 1.242 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000750883195 700254388 /nfs/dbraw/zinc/25/43/88/700254388.db2.gz QHIUGKOPASXAQF-UHFFFAOYSA-N 1 1 300.336 1.535 20 5 DDBDMO COCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000782960569 698789156 /nfs/dbraw/zinc/78/91/56/698789156.db2.gz HDQOBSMGQTVDRZ-CQSZACIVSA-N 1 1 320.349 1.639 20 5 DDBDMO COCC[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000782960569 698789157 /nfs/dbraw/zinc/78/91/57/698789157.db2.gz HDQOBSMGQTVDRZ-CQSZACIVSA-N 1 1 320.349 1.639 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000424023265 699147409 /nfs/dbraw/zinc/14/74/09/699147409.db2.gz FJWPWKLCQBBFAB-AWEZNQCLSA-N 1 1 307.354 1.239 20 5 DDBDMO COC(=O)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000787247953 699199942 /nfs/dbraw/zinc/19/99/42/699199942.db2.gz VTIRFWYJRVRZCZ-GWCFXTLKSA-N 1 1 318.333 1.785 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000787247953 699199943 /nfs/dbraw/zinc/19/99/43/699199943.db2.gz VTIRFWYJRVRZCZ-GWCFXTLKSA-N 1 1 318.333 1.785 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@@H]3C2)c1 ZINC000754081543 700481532 /nfs/dbraw/zinc/48/15/32/700481532.db2.gz LUOJQPVTSUJMIW-JTQLQIEISA-N 1 1 311.313 1.263 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@@H]3C2)c1 ZINC000754081543 700481533 /nfs/dbraw/zinc/48/15/33/700481533.db2.gz LUOJQPVTSUJMIW-JTQLQIEISA-N 1 1 311.313 1.263 20 5 DDBDMO Cc1[nH+]ccn1CCCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000767665123 701127239 /nfs/dbraw/zinc/12/72/39/701127239.db2.gz JYUBQVQGPLMHLZ-UHFFFAOYSA-N 1 1 304.306 1.929 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000769220540 701237334 /nfs/dbraw/zinc/23/73/34/701237334.db2.gz MCERGUOIDGXQHK-CABCVRRESA-N 1 1 308.334 1.120 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000769220540 701237335 /nfs/dbraw/zinc/23/73/35/701237335.db2.gz MCERGUOIDGXQHK-CABCVRRESA-N 1 1 308.334 1.120 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H]1C[N@H+](C)CCO1 ZINC000770474559 701279500 /nfs/dbraw/zinc/27/95/00/701279500.db2.gz BLXWGIBIDQMIGU-KCJUWKMLSA-N 1 1 307.310 1.262 20 5 DDBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000770474559 701279501 /nfs/dbraw/zinc/27/95/01/701279501.db2.gz BLXWGIBIDQMIGU-KCJUWKMLSA-N 1 1 307.310 1.262 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406645 701318776 /nfs/dbraw/zinc/31/87/76/701318776.db2.gz PDVKGQFKAGFYLB-QWRGUYRKSA-N 1 1 306.366 1.650 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000771406645 701318777 /nfs/dbraw/zinc/31/87/77/701318777.db2.gz PDVKGQFKAGFYLB-QWRGUYRKSA-N 1 1 306.366 1.650 20 5 DDBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000771407589 701318930 /nfs/dbraw/zinc/31/89/30/701318930.db2.gz RRVCBVIPLPVKEN-NWDGAFQWSA-N 1 1 320.393 1.825 20 5 DDBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000771407589 701318932 /nfs/dbraw/zinc/31/89/32/701318932.db2.gz RRVCBVIPLPVKEN-NWDGAFQWSA-N 1 1 320.393 1.825 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000807960071 701492279 /nfs/dbraw/zinc/49/22/79/701492279.db2.gz LFYHIUYDTDJUIK-LBPRGKRZSA-N 1 1 320.393 1.845 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000840093263 701965360 /nfs/dbraw/zinc/96/53/60/701965360.db2.gz IZTDFTPIHRKOCW-LLVKDONJSA-N 1 1 320.349 1.486 20 5 DDBDMO CC[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000812296365 702140682 /nfs/dbraw/zinc/14/06/82/702140682.db2.gz PTMAWDSXNROMTO-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO CC[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000812296365 702140685 /nfs/dbraw/zinc/14/06/85/702140685.db2.gz PTMAWDSXNROMTO-CQSZACIVSA-N 1 1 317.349 1.922 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000817151531 702290830 /nfs/dbraw/zinc/29/08/30/702290830.db2.gz SVKOOZSOFVUZIF-VIFPVBQESA-N 1 1 319.408 1.371 20 5 DDBDMO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])s1 ZINC000866257082 706659378 /nfs/dbraw/zinc/65/93/78/706659378.db2.gz FIOFBNCZDFWOPO-UHFFFAOYSA-N 1 1 312.395 1.600 20 5 DDBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866271485 706662179 /nfs/dbraw/zinc/66/21/79/706662179.db2.gz MCNYLOYVFFBFGW-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000848035478 703498344 /nfs/dbraw/zinc/49/83/44/703498344.db2.gz VUOKRBMQLKBMPO-ZDUSSCGKSA-N 1 1 307.350 1.181 20 5 DDBDMO C[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000848035478 703498345 /nfs/dbraw/zinc/49/83/45/703498345.db2.gz VUOKRBMQLKBMPO-ZDUSSCGKSA-N 1 1 307.350 1.181 20 5 DDBDMO CNC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000879753463 706779766 /nfs/dbraw/zinc/77/97/66/706779766.db2.gz BFQOPUVRFKVJSW-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO CNC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000879753463 706779768 /nfs/dbraw/zinc/77/97/68/706779768.db2.gz BFQOPUVRFKVJSW-UHFFFAOYSA-N 1 1 317.349 1.040 20 5 DDBDMO Nc1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964790 704341573 /nfs/dbraw/zinc/34/15/73/704341573.db2.gz APXVDNZTLNQIOM-ZDUSSCGKSA-N 1 1 306.366 1.212 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000821030224 704361861 /nfs/dbraw/zinc/36/18/61/704361861.db2.gz CPCSHHBHTPMPND-HNNXBMFYSA-N 1 1 321.381 1.044 20 5 DDBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1CC[N@@H+](CC)C1 ZINC000855490729 704487563 /nfs/dbraw/zinc/48/75/63/704487563.db2.gz KOJNWZXLZVHLCQ-SNVBAGLBSA-N 1 1 324.356 1.872 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000823100736 705139574 /nfs/dbraw/zinc/13/95/74/705139574.db2.gz IHNCATLRNQNNMQ-GXTWGEPZSA-N 1 1 303.362 1.988 20 5 DDBDMO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)CC1(C)COC1 ZINC000863296163 705893093 /nfs/dbraw/zinc/89/30/93/705893093.db2.gz KAUNPOLJNVCLTM-UHFFFAOYSA-N 1 1 317.349 1.779 20 5 DDBDMO C[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)CC1(C)COC1 ZINC000863296163 705893095 /nfs/dbraw/zinc/89/30/95/705893095.db2.gz KAUNPOLJNVCLTM-UHFFFAOYSA-N 1 1 317.349 1.779 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000877789315 706214079 /nfs/dbraw/zinc/21/40/79/706214079.db2.gz IENXCGBOHLGGCA-ZIAGYGMSSA-N 1 1 324.402 1.504 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000877789315 706214081 /nfs/dbraw/zinc/21/40/81/706214081.db2.gz IENXCGBOHLGGCA-ZIAGYGMSSA-N 1 1 324.402 1.504 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797145 706218811 /nfs/dbraw/zinc/21/88/11/706218811.db2.gz DGYBIDPDBLRDFF-UHFFFAOYSA-N 1 1 324.377 1.560 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000877892711 706233560 /nfs/dbraw/zinc/23/35/60/706233560.db2.gz CKHQCDFIYVNJEA-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO CCN(OC)C(=O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000865901586 706557709 /nfs/dbraw/zinc/55/77/09/706557709.db2.gz YIYQZWISDIMSAM-UHFFFAOYSA-N 1 1 304.306 1.387 20 5 DDBDMO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000879045931 706571558 /nfs/dbraw/zinc/57/15/58/706571558.db2.gz OIEMWSARSHRYKU-CYBMUJFWSA-N 1 1 313.304 1.769 20 5 DDBDMO CC(C)(O)[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000880138960 706888230 /nfs/dbraw/zinc/88/82/30/706888230.db2.gz JGQOKTFDKRDWDK-GXTWGEPZSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000867147789 706909253 /nfs/dbraw/zinc/90/92/53/706909253.db2.gz OJTOCWCQVJXYPU-MNOVXSKESA-N 1 1 309.341 1.827 20 5 DDBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2C1 ZINC000880311451 706937491 /nfs/dbraw/zinc/93/74/91/706937491.db2.gz GWXILTCYYRUIMN-BETUJISGSA-N 1 1 307.325 1.644 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ncccn2)CCC1 ZINC000880368375 706954838 /nfs/dbraw/zinc/95/48/38/706954838.db2.gz YDQSAOMJZBZJMV-UHFFFAOYSA-N 1 1 302.338 1.559 20 5 DDBDMO COc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(N)=O)cc1[N+](=O)[O-] ZINC000880588447 707029481 /nfs/dbraw/zinc/02/94/81/707029481.db2.gz VXRNPTLIUAMZPB-ZDUSSCGKSA-N 1 1 309.366 1.935 20 5 DDBDMO COc1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)cc1[N+](=O)[O-] ZINC000880588447 707029482 /nfs/dbraw/zinc/02/94/82/707029482.db2.gz VXRNPTLIUAMZPB-ZDUSSCGKSA-N 1 1 309.366 1.935 20 5 DDBDMO CC(C)(CCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)[N+](=O)[O-] ZINC000834591783 707090639 /nfs/dbraw/zinc/09/06/39/707090639.db2.gz DMTSSYMXDJAHGX-VXGBXAGGSA-N 1 1 301.362 1.467 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000882636705 707726829 /nfs/dbraw/zinc/72/68/29/707726829.db2.gz WCUYRQSATSUNSL-NSHDSACASA-N 1 1 310.329 1.164 20 5 DDBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c(C(F)F)c1 ZINC000882731109 707764552 /nfs/dbraw/zinc/76/45/52/707764552.db2.gz UAZSXQQDEQUVCA-CYBMUJFWSA-N 1 1 317.292 1.295 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@]2(C)C1 ZINC000896913470 708181077 /nfs/dbraw/zinc/18/10/77/708181077.db2.gz RBCRTCRPNRSOIP-OTYXRUKQSA-N 1 1 319.390 1.987 20 5 DDBDMO C[C@H](CNC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897078919 708224587 /nfs/dbraw/zinc/22/45/87/708224587.db2.gz YSGUZDFKCHLTRS-GFCCVEGCSA-N 1 1 306.366 1.655 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220808 708258825 /nfs/dbraw/zinc/25/88/25/708258825.db2.gz DKFGEXUUIIZGCJ-CVEARBPZSA-N 1 1 305.378 1.939 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886114472 708700620 /nfs/dbraw/zinc/70/06/20/708700620.db2.gz PTKYOKHFXKWZIG-LBPRGKRZSA-N 1 1 322.365 1.059 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886114472 708700621 /nfs/dbraw/zinc/70/06/21/708700621.db2.gz PTKYOKHFXKWZIG-LBPRGKRZSA-N 1 1 322.365 1.059 20 5 DDBDMO Cc1c(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000899934946 709242447 /nfs/dbraw/zinc/24/24/47/709242447.db2.gz FNHJSRXWOGIFHB-LBPRGKRZSA-N 1 1 305.334 1.562 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000899936887 709243452 /nfs/dbraw/zinc/24/34/52/709243452.db2.gz JFNRWHOERAFCPU-INIZCTEOSA-N 1 1 321.377 1.997 20 5 DDBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889780163 709631588 /nfs/dbraw/zinc/63/15/88/709631588.db2.gz IPIMDYMXYREFAD-CABCVRRESA-N 1 1 319.361 1.266 20 5 DDBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889783127 709634087 /nfs/dbraw/zinc/63/40/87/709634087.db2.gz VLWISJJKFTVIRV-GJZGRUSLSA-N 1 1 319.361 1.266 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096536 713128950 /nfs/dbraw/zinc/12/89/50/713128950.db2.gz MVOBRTKUXJWBPO-OCCSQVGLSA-N 1 1 321.402 1.904 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000928096536 713128951 /nfs/dbraw/zinc/12/89/51/713128951.db2.gz MVOBRTKUXJWBPO-OCCSQVGLSA-N 1 1 321.402 1.904 20 5 DDBDMO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913286021 713191642 /nfs/dbraw/zinc/19/16/42/713191642.db2.gz XUXNZWFCZNPVIP-IYBDPMFKSA-N 1 1 319.361 1.714 20 5 DDBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913286021 713191643 /nfs/dbraw/zinc/19/16/43/713191643.db2.gz XUXNZWFCZNPVIP-IYBDPMFKSA-N 1 1 319.361 1.714 20 5 DDBDMO Cn1cc[nH+]c1N1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000893443895 710656272 /nfs/dbraw/zinc/65/62/72/710656272.db2.gz NWNVEDKTZDCOOR-UHFFFAOYSA-N 1 1 305.342 1.143 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000893872508 710867390 /nfs/dbraw/zinc/86/73/90/710867390.db2.gz KVXNSPKRHFFLFQ-LBPRGKRZSA-N 1 1 307.350 1.574 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000928558879 713226454 /nfs/dbraw/zinc/22/64/54/713226454.db2.gz YEBNUEOFQRBWKB-SECBINFHSA-N 1 1 310.329 1.234 20 5 DDBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000928558879 713226456 /nfs/dbraw/zinc/22/64/56/713226456.db2.gz YEBNUEOFQRBWKB-SECBINFHSA-N 1 1 310.329 1.234 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894686702 711238316 /nfs/dbraw/zinc/23/83/16/711238316.db2.gz ARUBDDFGDXGKMP-VXGBXAGGSA-N 1 1 310.350 1.902 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913546382 713252902 /nfs/dbraw/zinc/25/29/02/713252902.db2.gz OMRCSBCYJJPTKK-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913546382 713252904 /nfs/dbraw/zinc/25/29/04/713252904.db2.gz OMRCSBCYJJPTKK-SAAWKEMMSA-N 1 1 319.361 1.133 20 5 DDBDMO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895247512 711464762 /nfs/dbraw/zinc/46/47/62/711464762.db2.gz VFFJIHKBBUNXPW-JOYOIKCWSA-N 1 1 313.789 1.689 20 5 DDBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CC[N@H+]1C ZINC000895768859 711600819 /nfs/dbraw/zinc/60/08/19/711600819.db2.gz JMSSXCJBCQFUFA-JTQLQIEISA-N 1 1 302.334 1.690 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@]2(C)C1 ZINC000904438508 711858592 /nfs/dbraw/zinc/85/85/92/711858592.db2.gz YBSWIZPPMCRYRK-CJNGLKHVSA-N 1 1 315.377 1.786 20 5 DDBDMO C[C@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643916 712105096 /nfs/dbraw/zinc/10/50/96/712105096.db2.gz OLJQCUOLNWWVKV-KGLIPLIRSA-N 1 1 307.394 1.745 20 5 DDBDMO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000905643916 712105097 /nfs/dbraw/zinc/10/50/97/712105097.db2.gz OLJQCUOLNWWVKV-KGLIPLIRSA-N 1 1 307.394 1.745 20 5 DDBDMO C[N@H+]1CCC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000918395546 713541488 /nfs/dbraw/zinc/54/14/88/713541488.db2.gz PUHJOSZXAQVVJL-LBPRGKRZSA-N 1 1 317.349 1.155 20 5 DDBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000930214004 713778906 /nfs/dbraw/zinc/77/89/06/713778906.db2.gz LXTUHVDGJMENEC-LLVKDONJSA-N 1 1 311.357 1.714 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000930362938 713814418 /nfs/dbraw/zinc/81/44/18/713814418.db2.gz BRWGXFRXUQWHDD-NSHDSACASA-N 1 1 309.341 1.734 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930875002 713947550 /nfs/dbraw/zinc/94/75/50/713947550.db2.gz KCVVRENKVGTVFO-ABAIWWIYSA-N 1 1 319.365 1.136 20 5 DDBDMO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044509 713989772 /nfs/dbraw/zinc/98/97/72/713989772.db2.gz NNODNCYMAIEMTG-DOMZBBRYSA-N 1 1 320.393 1.948 20 5 DDBDMO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931044509 713989775 /nfs/dbraw/zinc/98/97/75/713989775.db2.gz NNODNCYMAIEMTG-DOMZBBRYSA-N 1 1 320.393 1.948 20 5 DDBDMO COC1(OC)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000931631376 714143102 /nfs/dbraw/zinc/14/31/02/714143102.db2.gz DPCXFXYSHJYKNR-CQSZACIVSA-N 1 1 310.350 1.459 20 5 DDBDMO COC1(OC)CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000931631376 714143103 /nfs/dbraw/zinc/14/31/03/714143103.db2.gz DPCXFXYSHJYKNR-CQSZACIVSA-N 1 1 310.350 1.459 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3nc[nH]c3C23CCC3)c1 ZINC000931679005 714159188 /nfs/dbraw/zinc/15/91/88/714159188.db2.gz RTHAIVWUPJMRLA-UHFFFAOYSA-N 1 1 302.338 1.452 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3nc[nH]c3C23CCC3)c1 ZINC000931679005 714159191 /nfs/dbraw/zinc/15/91/91/714159191.db2.gz RTHAIVWUPJMRLA-UHFFFAOYSA-N 1 1 302.338 1.452 20 5 DDBDMO CN(C(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000923486168 714372404 /nfs/dbraw/zinc/37/24/04/714372404.db2.gz CAVDQWMHPAMTGZ-GFCCVEGCSA-N 1 1 306.366 1.228 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000932648671 714376329 /nfs/dbraw/zinc/37/63/29/714376329.db2.gz ZOGASRYZLCEIQH-GFCCVEGCSA-N 1 1 308.334 1.859 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933229101 714542742 /nfs/dbraw/zinc/54/27/42/714542742.db2.gz GNXQRYJQEYQTHY-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933229101 714542744 /nfs/dbraw/zinc/54/27/44/714542744.db2.gz GNXQRYJQEYQTHY-KBPBESRZSA-N 1 1 307.350 1.229 20 5 DDBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000934042490 714729900 /nfs/dbraw/zinc/72/99/00/714729900.db2.gz ULGZFGDWDPHIDD-ZIAGYGMSSA-N 1 1 324.333 1.355 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000934131118 714751371 /nfs/dbraw/zinc/75/13/71/714751371.db2.gz KBRRFIBMVMTPOZ-BPLDGKMQSA-N 1 1 310.350 1.444 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934637807 714867899 /nfs/dbraw/zinc/86/78/99/714867899.db2.gz NRFWPUGJDBDNCU-CQSZACIVSA-N 1 1 324.381 1.309 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934637807 714867901 /nfs/dbraw/zinc/86/79/01/714867901.db2.gz NRFWPUGJDBDNCU-CQSZACIVSA-N 1 1 324.381 1.309 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001121197460 782403776 /nfs/dbraw/zinc/40/37/76/782403776.db2.gz ASSVUBAEDOONDS-LERXQTSPSA-N 1 1 319.361 1.673 20 5 DDBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063967 734368584 /nfs/dbraw/zinc/36/85/84/734368584.db2.gz RFNFJEQGEWNMBC-XJFOESAGSA-N 1 1 323.780 1.742 20 5 DDBDMO C[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588538522 734794332 /nfs/dbraw/zinc/79/43/32/734794332.db2.gz YWVTZMFIBSKNPA-LLPBQKLSSA-N 1 1 319.361 1.133 20 5 DDBDMO CC(C)(F)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025648519 736808899 /nfs/dbraw/zinc/80/88/99/736808899.db2.gz GFVVBBUBJHSXIK-WDNDVIMCSA-N 1 1 321.352 1.889 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC001020140107 736999370 /nfs/dbraw/zinc/99/93/70/736999370.db2.gz YSNDLVZKMIXAQD-KLHDSHLOSA-N 1 1 317.389 1.705 20 5 DDBDMO N=C(NCCCC[NH3+])Nc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167878430 739167193 /nfs/dbraw/zinc/16/71/93/739167193.db2.gz RPGVWNGMRDUZAF-UHFFFAOYSA-N 1 1 321.316 1.352 20 5 DDBDMO O=C(NC1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002784271 743422996 /nfs/dbraw/zinc/42/29/96/743422996.db2.gz AEEBZWPUBRJGML-HUUCEWRRSA-N 1 1 321.352 1.572 20 5 DDBDMO CN1C[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)CC1=O ZINC001168725892 747981135 /nfs/dbraw/zinc/98/11/35/747981135.db2.gz HYSBRLIOMMWUQV-LLVKDONJSA-N 1 1 318.377 1.473 20 5 DDBDMO CN1C[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)CC1=O ZINC001168725892 747981137 /nfs/dbraw/zinc/98/11/37/747981137.db2.gz HYSBRLIOMMWUQV-LLVKDONJSA-N 1 1 318.377 1.473 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996428695 749586211 /nfs/dbraw/zinc/58/62/11/749586211.db2.gz GISPTZPSVXXJTI-VXGBXAGGSA-N 1 1 317.336 1.278 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035186894 751287541 /nfs/dbraw/zinc/28/75/41/751287541.db2.gz KITKVBRXZYNTIJ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035186894 751287545 /nfs/dbraw/zinc/28/75/45/751287545.db2.gz KITKVBRXZYNTIJ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035186894 751287551 /nfs/dbraw/zinc/28/75/51/751287551.db2.gz KITKVBRXZYNTIJ-HUUCEWRRSA-N 1 1 321.421 1.766 20 5 DDBDMO CC(C)C(C)(C)C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001128158322 754562262 /nfs/dbraw/zinc/56/22/62/754562262.db2.gz GRXCUBCOEPUZQL-UHFFFAOYSA-N 1 1 311.386 1.216 20 5 DDBDMO CC1(C)CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001017543885 758011946 /nfs/dbraw/zinc/01/19/46/758011946.db2.gz HOXBROLXJCIRMW-LXTVHRRPSA-N 1 1 321.421 1.763 20 5 DDBDMO CC1(C)CC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001017543885 758011960 /nfs/dbraw/zinc/01/19/60/758011960.db2.gz HOXBROLXJCIRMW-LXTVHRRPSA-N 1 1 321.421 1.763 20 5 DDBDMO CC1(C)CC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001017543885 758011971 /nfs/dbraw/zinc/01/19/71/758011971.db2.gz HOXBROLXJCIRMW-LXTVHRRPSA-N 1 1 321.421 1.763 20 5 DDBDMO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001086082686 760941525 /nfs/dbraw/zinc/94/15/25/760941525.db2.gz ZOZKVARHBUEGAT-QKPAOTATSA-N 1 1 317.389 1.645 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329368 766255122 /nfs/dbraw/zinc/25/51/22/766255122.db2.gz PMPRZXWUOCNROL-ABAIWWIYSA-N 1 1 312.341 1.941 20 5 DDBDMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329368 766255123 /nfs/dbraw/zinc/25/51/23/766255123.db2.gz PMPRZXWUOCNROL-ABAIWWIYSA-N 1 1 312.341 1.941 20 5 DDBDMO C[NH+]1CC(CNC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001159218483 771098230 /nfs/dbraw/zinc/09/82/30/771098230.db2.gz PSCZYILXLFWBOP-UHFFFAOYSA-N 1 1 306.700 1.844 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001135813382 771731730 /nfs/dbraw/zinc/73/17/30/771731730.db2.gz DGQGAANPVMIXPO-NSHDSACASA-N 1 1 321.381 1.566 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093840577 775125394 /nfs/dbraw/zinc/12/53/94/775125394.db2.gz NWLURGPNMIGIMH-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO CCC[N@@H+](C)CC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094517416 775975724 /nfs/dbraw/zinc/97/57/24/775975724.db2.gz QFDHKZWRZPEUIL-UHFFFAOYSA-N 1 1 309.370 1.250 20 5 DDBDMO O=C1N[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2CO1 ZINC001171741012 776460121 /nfs/dbraw/zinc/46/01/21/776460121.db2.gz KBELJIDDBYYVGO-GXTWGEPZSA-N 1 1 305.334 1.568 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001173235015 777064462 /nfs/dbraw/zinc/06/44/62/777064462.db2.gz VRLCJZFGPUTVIN-SWLSCSKDSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001173235015 777064466 /nfs/dbraw/zinc/06/44/66/777064466.db2.gz VRLCJZFGPUTVIN-SWLSCSKDSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001173235014 777065282 /nfs/dbraw/zinc/06/52/82/777065282.db2.gz VRLCJZFGPUTVIN-IUODEOHRSA-N 1 1 319.361 1.069 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCN2C(=O)COC[C@H]2C1 ZINC001173235014 777065283 /nfs/dbraw/zinc/06/52/83/777065283.db2.gz VRLCJZFGPUTVIN-IUODEOHRSA-N 1 1 319.361 1.069 20 5 DDBDMO O=C(NCC[N@H+](CCC(F)(F)F)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592030 836509344 /nfs/dbraw/zinc/50/93/44/836509344.db2.gz GHLUXVFOVWGTQX-NXEZZACHSA-N 1 1 309.288 1.185 20 5 DDBDMO O=C(NCC[N@@H+](CCC(F)(F)F)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592030 836509353 /nfs/dbraw/zinc/50/93/53/836509353.db2.gz GHLUXVFOVWGTQX-NXEZZACHSA-N 1 1 309.288 1.185 20 5 DDBDMO CC(C)OCC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001271977763 844254230 /nfs/dbraw/zinc/25/42/30/844254230.db2.gz VAEIUMYHPZETDO-UHFFFAOYSA-N 1 1 323.393 1.910 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC001328044645 862655998 /nfs/dbraw/zinc/65/59/98/862655998.db2.gz LOAQGQVZCLLYNV-UHIISALHSA-N 1 1 307.350 1.179 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC001328044645 862656006 /nfs/dbraw/zinc/65/60/06/862656006.db2.gz LOAQGQVZCLLYNV-UHIISALHSA-N 1 1 307.350 1.179 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001122733054 858951839 /nfs/dbraw/zinc/95/18/39/858951839.db2.gz WJLPDSCDCIPOKJ-QWHCGFSZSA-N 1 1 322.413 1.241 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001123003169 859049550 /nfs/dbraw/zinc/04/95/50/859049550.db2.gz RHLDJEYWVMVRDE-NWDGAFQWSA-N 1 1 308.338 1.270 20 5 DDBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]1[NH2+]C ZINC001156637200 863217968 /nfs/dbraw/zinc/21/79/68/863217968.db2.gz ATBUONHABMVRRI-QMMMGPOBSA-N 1 1 314.729 1.576 20 5 DDBDMO CN(C)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157761701 864111599 /nfs/dbraw/zinc/11/15/99/864111599.db2.gz YJZAMAAVQOEBMR-HUUCEWRRSA-N 1 1 320.393 1.014 20 5 DDBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001157818824 864170067 /nfs/dbraw/zinc/17/00/67/864170067.db2.gz YFFGPQPZNWMBRS-LLVKDONJSA-N 1 1 307.354 1.128 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001157818824 864170072 /nfs/dbraw/zinc/17/00/72/864170072.db2.gz YFFGPQPZNWMBRS-LLVKDONJSA-N 1 1 307.354 1.128 20 5 DDBDMO C[N@H+]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1(C)C ZINC001331049709 864803661 /nfs/dbraw/zinc/80/36/61/864803661.db2.gz KTYLRLJMCLDMLE-UHFFFAOYSA-N 1 1 320.349 1.486 20 5 DDBDMO COc1cc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC001160722166 866066429 /nfs/dbraw/zinc/06/64/29/866066429.db2.gz FKVHXZISEQSIFB-RYUDHWBXSA-N 1 1 322.365 1.664 20 5 DDBDMO COc1nc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001160722696 866067791 /nfs/dbraw/zinc/06/77/91/866067791.db2.gz IDZJJQQQALMZNO-NWDGAFQWSA-N 1 1 322.365 1.664 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC001333288962 866596632 /nfs/dbraw/zinc/59/66/32/866596632.db2.gz JPHLFNGQKXMZQU-NSHDSACASA-N 1 1 309.370 1.090 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1C ZINC001320557934 866829395 /nfs/dbraw/zinc/82/93/95/866829395.db2.gz RLCOQNZNTQUHKX-UHFFFAOYSA-N 1 1 304.306 1.998 20 5 DDBDMO CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320733694 866988608 /nfs/dbraw/zinc/98/86/08/866988608.db2.gz ADZUTCGIWDALDF-RKDXNWHRSA-N 1 1 310.181 1.409 20 5 DDBDMO C[N@H+](CC(=O)OCc1cccnc1[N+](=O)[O-])[C@H]1CCSC1 ZINC001333907372 867145248 /nfs/dbraw/zinc/14/52/48/867145248.db2.gz AYOUTYNOKMIBLI-NSHDSACASA-N 1 1 311.363 1.470 20 5 DDBDMO C[N@@H+](CC(=O)OCc1cccnc1[N+](=O)[O-])[C@H]1CCSC1 ZINC001333907372 867145257 /nfs/dbraw/zinc/14/52/57/867145257.db2.gz AYOUTYNOKMIBLI-NSHDSACASA-N 1 1 311.363 1.470 20 5 DDBDMO CC[NH+]1CCN(C[C@H](C)CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001321133450 867341724 /nfs/dbraw/zinc/34/17/24/867341724.db2.gz MCCOIPOYWSTCRK-CYBMUJFWSA-N 1 1 321.425 1.406 20 5 DDBDMO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1ncc([N+](=O)[O-])cc1N ZINC001162880517 867896561 /nfs/dbraw/zinc/89/65/61/867896561.db2.gz LTBRDIWORAMONE-ZDUSSCGKSA-N 1 1 323.397 1.731 20 5 DDBDMO COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001335183843 868117355 /nfs/dbraw/zinc/11/73/55/868117355.db2.gz YPPGFCGLQGEDIV-UHFFFAOYSA-N 1 1 323.349 1.467 20 5 DDBDMO O=C(NCCC1(C[NH2+]Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494287 869231153 /nfs/dbraw/zinc/23/11/53/869231153.db2.gz DEEVTYWJGUHLSP-CHWSQXEVSA-N 1 1 323.418 1.789 20 5 DDBDMO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001338083761 869791480 /nfs/dbraw/zinc/79/14/80/869791480.db2.gz JKWFCLSDLNHXRD-CMPLNLGQSA-N 1 1 309.370 1.045 20 5 DDBDMO Cc1nc(Nc2ccc([N+](=O)[O-])nc2)cc(N2CCOCC2)[nH+]1 ZINC001203567135 870646385 /nfs/dbraw/zinc/64/63/85/870646385.db2.gz XZDMLZXJCFZNOM-UHFFFAOYSA-N 1 1 316.321 1.668 20 5 DDBDMO Nc1cc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001339824728 870717979 /nfs/dbraw/zinc/71/79/79/870717979.db2.gz RKDIJPVPWZTSNG-PWSUYJOCSA-N 1 1 309.395 1.564 20 5 DDBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cnnc1 ZINC001308052834 871465619 /nfs/dbraw/zinc/46/56/19/871465619.db2.gz USFFWOWRMQCAPM-UHFFFAOYSA-N 1 1 318.337 1.147 20 5 DDBDMO CC(C)c1ccc(C[NH2+]CC(=O)N2CCCO2)cc1[N+](=O)[O-] ZINC001308546335 871510852 /nfs/dbraw/zinc/51/08/52/871510852.db2.gz MRRNXGVKDXDKQS-UHFFFAOYSA-N 1 1 307.350 1.972 20 5 DDBDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733071 882617704 /nfs/dbraw/zinc/61/77/04/882617704.db2.gz GPOJQFLFGLOMGC-WCQYABFASA-N 1 1 315.333 1.994 20 5 DDBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001342988646 872458965 /nfs/dbraw/zinc/45/89/65/872458965.db2.gz RZSUNVSFIZLBDL-UHFFFAOYSA-N 1 1 324.429 1.631 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001319181583 872482975 /nfs/dbraw/zinc/48/29/75/872482975.db2.gz MKZCNYDJRIZNDQ-VNHYZAJKSA-N 1 1 308.382 1.664 20 5 DDBDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001319451831 872635504 /nfs/dbraw/zinc/63/55/04/872635504.db2.gz QQCUGUIIBJOVSI-DGCLKSJQSA-N 1 1 311.407 1.972 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001349853101 875414121 /nfs/dbraw/zinc/41/41/21/875414121.db2.gz RYOREFOJXUUJMS-ZDUSSCGKSA-N 1 1 309.341 1.877 20 5 DDBDMO Cc1[nH]c(=O)cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1[N+](=O)[O-] ZINC001228686849 883618809 /nfs/dbraw/zinc/61/88/09/883618809.db2.gz RMNAYGGAQFNRKM-JMJZKYOTSA-N 1 1 307.306 1.187 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001229059780 883796947 /nfs/dbraw/zinc/79/69/47/883796947.db2.gz VDTYFZSXCRJQKL-NSHDSACASA-N 1 1 317.301 1.972 20 5 DDBDMO CC(=O)Nc1cc(O[C@H]2CC[N@@H+](C)C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128987 883837643 /nfs/dbraw/zinc/83/76/43/883837643.db2.gz GTYUDQKWDPQRGL-NSHDSACASA-N 1 1 321.333 1.839 20 5 DDBDMO CC(=O)Nc1cc(O[C@H]2CC[N@H+](C)C2)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128987 883837651 /nfs/dbraw/zinc/83/76/51/883837651.db2.gz GTYUDQKWDPQRGL-NSHDSACASA-N 1 1 321.333 1.839 20 5 DDBDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3c[nH]cc([N+](=O)[O-])c-3n1)C2 ZINC001230230568 884382734 /nfs/dbraw/zinc/38/27/34/884382734.db2.gz VBKPKOKFMYOMCF-MYJAWHEDSA-N 1 1 303.322 1.870 20 5 DDBDMO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CNCCC2=O)c([N+](=O)[O-])c1 ZINC001246294596 892521125 /nfs/dbraw/zinc/52/11/25/892521125.db2.gz RIJBOVZNQNFTEJ-ZWNOBZJWSA-N 1 1 307.350 1.055 20 5 DDBDMO COc1ccc(C[C@@H](C)N[C@@H]2C[NH2+]CCC2=O)c([N+](=O)[O-])c1 ZINC001246294596 892521138 /nfs/dbraw/zinc/52/11/38/892521138.db2.gz RIJBOVZNQNFTEJ-ZWNOBZJWSA-N 1 1 307.350 1.055 20 5 DDBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001254559143 896501190 /nfs/dbraw/zinc/50/11/90/896501190.db2.gz IXFJFTUYSWLKFX-XBFCOCLRSA-N 1 1 303.362 1.594 20 5 DDBDMO C[C@]1(CO)CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1O ZINC001254592068 896522700 /nfs/dbraw/zinc/52/27/00/896522700.db2.gz ABVXNTGSQXHNHO-HRCADAONSA-N 1 1 306.362 1.127 20 5 DDBDMO COC(=O)CO[C@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254609955 896529880 /nfs/dbraw/zinc/52/98/80/896529880.db2.gz GRMZEZKUBIZNCB-GJZGRUSLSA-N 1 1 320.345 1.326 20 5 DDBDMO CC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254611675 896532766 /nfs/dbraw/zinc/53/27/66/896532766.db2.gz QZEULWTXESPNMS-CVEARBPZSA-N 1 1 303.362 1.615 20 5 DDBDMO O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266135587 903000749 /nfs/dbraw/zinc/00/07/49/903000749.db2.gz PVGJQEHPGTVEHL-JRTDTAFDSA-N 1 1 301.774 1.375 20 5 DDBDMO O=C(NCCC[N@H+](C/C=C/Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266135587 903000758 /nfs/dbraw/zinc/00/07/58/903000758.db2.gz PVGJQEHPGTVEHL-JRTDTAFDSA-N 1 1 301.774 1.375 20 5 DDBDMO O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266135587 903000776 /nfs/dbraw/zinc/00/07/76/903000776.db2.gz PVGJQEHPGTVEHL-JRTDTAFDSA-N 1 1 301.774 1.375 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000305324153 231000384 /nfs/dbraw/zinc/00/03/84/231000384.db2.gz OSIFBKQNRGCPKW-HNNXBMFYSA-N 1 1 316.361 1.519 20 5 DDBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000451429758 231092439 /nfs/dbraw/zinc/09/24/39/231092439.db2.gz MBKDLQLZHJNEJX-CYBMUJFWSA-N 1 1 302.277 1.676 20 5 DDBDMO COCC[NH+]1CCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000360151718 306974902 /nfs/dbraw/zinc/97/49/02/306974902.db2.gz ZDUIUASPETUPST-UHFFFAOYSA-N 1 1 323.349 1.150 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000458169029 530060458 /nfs/dbraw/zinc/06/04/58/530060458.db2.gz FBKNZZLLWRYHIR-CYBMUJFWSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000181706867 199341685 /nfs/dbraw/zinc/34/16/85/199341685.db2.gz ZXVGBDRWWXNVCC-STQMWFEESA-N 1 1 310.350 1.445 20 5 DDBDMO Cc1ccc(C[N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000181970426 199369157 /nfs/dbraw/zinc/36/91/57/199369157.db2.gz DSEUGHCRCDTNMS-UHFFFAOYSA-N 1 1 304.350 1.594 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@@H](C)O ZINC000072713603 191219716 /nfs/dbraw/zinc/21/97/16/191219716.db2.gz RXQQDWXUAIZBSG-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CO)CC3)o2)cc1 ZINC000058591594 352848629 /nfs/dbraw/zinc/84/86/29/352848629.db2.gz KHPZYYVGCAWEJZ-UHFFFAOYSA-N 1 1 318.333 1.849 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC[C@@H](C)O ZINC000173568800 198228628 /nfs/dbraw/zinc/22/86/28/198228628.db2.gz PPPJUHWZTGGEQS-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000173568800 198228630 /nfs/dbraw/zinc/22/86/30/198228630.db2.gz PPPJUHWZTGGEQS-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000068779489 353129273 /nfs/dbraw/zinc/12/92/73/353129273.db2.gz RRIWGFGEYVVRJM-UHFFFAOYSA-N 1 1 321.377 1.916 20 5 DDBDMO CCC1(O)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000072724046 353212424 /nfs/dbraw/zinc/21/24/24/353212424.db2.gz RNYTVYKMYUWXSK-UHFFFAOYSA-N 1 1 307.350 1.431 20 5 DDBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000073021807 353233097 /nfs/dbraw/zinc/23/30/97/353233097.db2.gz SNWGRWSVIZJDAK-BBRMVZONSA-N 1 1 323.393 1.281 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000074073836 353289724 /nfs/dbraw/zinc/28/97/24/353289724.db2.gz TTYZHIOJBMYPHF-UHFFFAOYSA-N 1 1 321.377 1.918 20 5 DDBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)C1CC1 ZINC000079769974 353576572 /nfs/dbraw/zinc/57/65/72/353576572.db2.gz XACXQMJBAUGLGW-AWEZNQCLSA-N 1 1 308.334 1.664 20 5 DDBDMO COC(=O)CC[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265720 353763684 /nfs/dbraw/zinc/76/36/84/353763684.db2.gz NWVPUUXIYLWBML-NSHDSACASA-N 1 1 308.338 1.063 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265720 353763686 /nfs/dbraw/zinc/76/36/86/353763686.db2.gz NWVPUUXIYLWBML-NSHDSACASA-N 1 1 308.338 1.063 20 5 DDBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000089265452 353763876 /nfs/dbraw/zinc/76/38/76/353763876.db2.gz OLUJPFRONYIQBT-LLVKDONJSA-N 1 1 308.338 1.063 20 5 DDBDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125915718 354049343 /nfs/dbraw/zinc/04/93/43/354049343.db2.gz GWKGJMSOBHQBBF-LLVKDONJSA-N 1 1 318.337 1.138 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369549 354224222 /nfs/dbraw/zinc/22/42/22/354224222.db2.gz LVHPFGXRKVIJEU-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO Cc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000157369549 354224225 /nfs/dbraw/zinc/22/42/25/354224225.db2.gz LVHPFGXRKVIJEU-SMDDNHRTSA-N 1 1 307.350 1.352 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2ccncc21 ZINC000405209751 354677456 /nfs/dbraw/zinc/67/74/56/354677456.db2.gz HPLVGVCXYHONOI-NWDGAFQWSA-N 1 1 314.345 1.398 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000585800599 354849312 /nfs/dbraw/zinc/84/93/12/354849312.db2.gz ASSFKBLNZGTBAM-RBSFLKMASA-N 1 1 324.381 1.043 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000585800599 354849315 /nfs/dbraw/zinc/84/93/15/354849315.db2.gz ASSFKBLNZGTBAM-RBSFLKMASA-N 1 1 324.381 1.043 20 5 DDBDMO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C[N@H+]1C1CC1 ZINC000589584117 355002018 /nfs/dbraw/zinc/00/20/18/355002018.db2.gz GCANXYHTCVQIKG-CABZTGNLSA-N 1 1 306.366 1.706 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000589514773 354999044 /nfs/dbraw/zinc/99/90/44/354999044.db2.gz LNSYVYHLUHZHFD-QMTHXVAHSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000589514773 354999049 /nfs/dbraw/zinc/99/90/49/354999049.db2.gz LNSYVYHLUHZHFD-QMTHXVAHSA-N 1 1 308.334 1.584 20 5 DDBDMO CN(C(=O)CN1CC[C@@H]2C[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000590012324 355040180 /nfs/dbraw/zinc/04/01/80/355040180.db2.gz QWZXLAMFDMQCFV-DOMZBBRYSA-N 1 1 318.377 1.194 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590537462 355109632 /nfs/dbraw/zinc/10/96/32/355109632.db2.gz JMHBBNQJBQUVED-DGCLKSJQSA-N 1 1 308.313 1.248 20 5 DDBDMO CCOc1cc(N2CC(C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000590568478 355115764 /nfs/dbraw/zinc/11/57/64/355115764.db2.gz VYUIOFNRHRNSPS-UHFFFAOYSA-N 1 1 321.377 1.762 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590442356 355096716 /nfs/dbraw/zinc/09/67/16/355096716.db2.gz FNKLKDCVNYVVSW-AAEUAGOBSA-N 1 1 305.334 1.380 20 5 DDBDMO Cc1nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000591729008 355373956 /nfs/dbraw/zinc/37/39/56/355373956.db2.gz CRRXEDVOKMDAGD-LBPRGKRZSA-N 1 1 323.374 1.889 20 5 DDBDMO CC1([NH3+])CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000592485201 355596490 /nfs/dbraw/zinc/59/64/90/355596490.db2.gz RBUBJVZOUOKTFN-UHFFFAOYSA-N 1 1 306.366 1.737 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN12 ZINC000346477470 283110352 /nfs/dbraw/zinc/11/03/52/283110352.db2.gz GBLSVDRQZHQUCT-AWEZNQCLSA-N 1 1 319.361 1.670 20 5 DDBDMO CCCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830308 355705892 /nfs/dbraw/zinc/70/58/92/355705892.db2.gz CSPWISRYVJKJMR-GFCCVEGCSA-N 1 1 309.370 1.124 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000592765333 355681670 /nfs/dbraw/zinc/68/16/70/355681670.db2.gz DQBNUUUMFLHABK-NOZJJQNGSA-N 1 1 321.333 1.660 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594571494 356252863 /nfs/dbraw/zinc/25/28/63/356252863.db2.gz HRDPKWLDIQWLGV-JTQLQIEISA-N 1 1 312.322 1.073 20 5 DDBDMO C[N@@H+](Cc1cnccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080980431 192207244 /nfs/dbraw/zinc/20/72/44/192207244.db2.gz KZNMTNDLJXURTH-CQSZACIVSA-N 1 1 318.333 1.257 20 5 DDBDMO C[N@H+](Cc1cnccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000080980431 192207247 /nfs/dbraw/zinc/20/72/47/192207247.db2.gz KZNMTNDLJXURTH-CQSZACIVSA-N 1 1 318.333 1.257 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000408028064 283158803 /nfs/dbraw/zinc/15/88/03/283158803.db2.gz CJENSKMOUNEANE-NXEZZACHSA-N 1 1 323.378 1.213 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595193281 356404161 /nfs/dbraw/zinc/40/41/61/356404161.db2.gz RUTDYVREINBROX-LBPRGKRZSA-N 1 1 320.349 1.134 20 5 DDBDMO Cc1noc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC000595406330 356481822 /nfs/dbraw/zinc/48/18/22/356481822.db2.gz BXHCMZIXAODAHS-MNOVXSKESA-N 1 1 308.338 1.382 20 5 DDBDMO Cc1noc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595395076 356476738 /nfs/dbraw/zinc/47/67/38/356476738.db2.gz GRAJYNXKVQJPNP-NSHDSACASA-N 1 1 306.326 1.395 20 5 DDBDMO Cc1noc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595395076 356476742 /nfs/dbraw/zinc/47/67/42/356476742.db2.gz GRAJYNXKVQJPNP-NSHDSACASA-N 1 1 306.326 1.395 20 5 DDBDMO Cc1noc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595493931 356516910 /nfs/dbraw/zinc/51/69/10/356516910.db2.gz XEORYTOFGUISES-ZYHUDNBSSA-N 1 1 310.354 1.186 20 5 DDBDMO Cc1noc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595493931 356516912 /nfs/dbraw/zinc/51/69/12/356516912.db2.gz XEORYTOFGUISES-ZYHUDNBSSA-N 1 1 310.354 1.186 20 5 DDBDMO C[N@H+](CC1=CCCOC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595746965 356633596 /nfs/dbraw/zinc/63/35/96/356633596.db2.gz HKKRKBGSQHPHNN-AWEZNQCLSA-N 1 1 322.361 1.613 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595826891 356665754 /nfs/dbraw/zinc/66/57/54/356665754.db2.gz AWPAMPVMNJOSFM-UMVBOHGHSA-N 1 1 322.361 1.303 20 5 DDBDMO O=[N+]([O-])c1cncc(Cl)c1N1CC(C[NH+]2CCOCC2)C1 ZINC000596240334 356828970 /nfs/dbraw/zinc/82/89/70/356828970.db2.gz WDJBOXWXSMPJJK-UHFFFAOYSA-N 1 1 312.757 1.412 20 5 DDBDMO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)ncc1[N+](=O)[O-] ZINC000596361262 356863431 /nfs/dbraw/zinc/86/34/31/356863431.db2.gz RBTGCOCHOJLDEC-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncc1[N+](=O)[O-] ZINC000596361262 356863434 /nfs/dbraw/zinc/86/34/34/356863434.db2.gz RBTGCOCHOJLDEC-ZDUSSCGKSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1cccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596539730 356911415 /nfs/dbraw/zinc/91/14/15/356911415.db2.gz QCLBNRYSUXSULP-CQSZACIVSA-N 1 1 305.378 1.939 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714179 357299003 /nfs/dbraw/zinc/29/90/03/357299003.db2.gz HAIGTEOVKIDQSW-CQSZACIVSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714179 357299006 /nfs/dbraw/zinc/29/90/06/357299006.db2.gz HAIGTEOVKIDQSW-CQSZACIVSA-N 1 1 307.354 1.184 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000597714179 357299010 /nfs/dbraw/zinc/29/90/10/357299010.db2.gz HAIGTEOVKIDQSW-CQSZACIVSA-N 1 1 307.354 1.184 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000597854617 357358689 /nfs/dbraw/zinc/35/86/89/357358689.db2.gz KCBVINOYRCLKGM-LBPRGKRZSA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597855530 357359328 /nfs/dbraw/zinc/35/93/28/357359328.db2.gz SFSOITPRPAABKW-NSHDSACASA-N 1 1 323.397 1.487 20 5 DDBDMO CCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000597944552 357393912 /nfs/dbraw/zinc/39/39/12/357393912.db2.gz FBKDZTXRTDRAII-CYBMUJFWSA-N 1 1 320.393 1.584 20 5 DDBDMO CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597944665 357394180 /nfs/dbraw/zinc/39/41/80/357394180.db2.gz DNJNTWHSVJCOPE-ZDUSSCGKSA-N 1 1 309.341 1.829 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598648529 357668427 /nfs/dbraw/zinc/66/84/27/357668427.db2.gz UCQWXYUOKGHQGN-RDBSUJKOSA-N 1 1 324.377 1.285 20 5 DDBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599574055 357980373 /nfs/dbraw/zinc/98/03/73/357980373.db2.gz NDXJBNHZDCHPBR-CYBMUJFWSA-N 1 1 310.350 1.303 20 5 DDBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624803 357997191 /nfs/dbraw/zinc/99/71/91/357997191.db2.gz WSELLIRYEIUORU-VBNZEHGJSA-N 1 1 308.378 1.969 20 5 DDBDMO Cc1c(CC(=O)N2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000600076546 358116981 /nfs/dbraw/zinc/11/69/81/358116981.db2.gz PCMRFDFBRWPUMO-UHFFFAOYSA-N 1 1 323.368 1.950 20 5 DDBDMO Cc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000600068437 358114337 /nfs/dbraw/zinc/11/43/37/358114337.db2.gz CEFKXLPWMRCCBY-UHFFFAOYSA-N 1 1 319.361 1.496 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000600312969 358193106 /nfs/dbraw/zinc/19/31/06/358193106.db2.gz WHNXDRBKJSGGRI-JTQLQIEISA-N 1 1 324.356 1.778 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3COCC[NH2+]3)o2)c1 ZINC000600678506 358280633 /nfs/dbraw/zinc/28/06/33/358280633.db2.gz RPUWFGFAXTYVFA-CYBMUJFWSA-N 1 1 317.345 1.933 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600808738 358320874 /nfs/dbraw/zinc/32/08/74/358320874.db2.gz QOALUDXFZNWPHD-JTQLQIEISA-N 1 1 313.741 1.045 20 5 DDBDMO C[C@H]1CN(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601111857 358406671 /nfs/dbraw/zinc/40/66/71/358406671.db2.gz YLYYQZROCSJDQZ-LBPRGKRZSA-N 1 1 316.361 1.698 20 5 DDBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)C1 ZINC000601114531 358407815 /nfs/dbraw/zinc/40/78/15/358407815.db2.gz QOZQLONNZWLNTL-ZETCQYMHSA-N 1 1 307.276 1.711 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000602195464 358876819 /nfs/dbraw/zinc/87/68/19/358876819.db2.gz LSUJJTKVKJUDQE-MLGOLLRUSA-N 1 1 321.377 1.260 20 5 DDBDMO CN(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506908 359018567 /nfs/dbraw/zinc/01/85/67/359018567.db2.gz YAIHNULSVOHZNX-UHFFFAOYSA-N 1 1 307.398 1.500 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000602781559 359185804 /nfs/dbraw/zinc/18/58/04/359185804.db2.gz TVCIFOBKMGTBAA-CYBMUJFWSA-N 1 1 318.377 1.983 20 5 DDBDMO CC1(C)CO[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000602837531 359227978 /nfs/dbraw/zinc/22/79/78/359227978.db2.gz OOFRBGNXXDEEFE-CYBMUJFWSA-N 1 1 320.393 1.927 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000602809091 359205806 /nfs/dbraw/zinc/20/58/06/359205806.db2.gz YQXRPXUYBIQSKX-JTQLQIEISA-N 1 1 304.297 1.803 20 5 DDBDMO Cn1cc([C@H]2C[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000602832559 359224118 /nfs/dbraw/zinc/22/41/18/359224118.db2.gz PXPBLJQCIWLKAN-CYBMUJFWSA-N 1 1 318.381 1.687 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930625 359300839 /nfs/dbraw/zinc/30/08/39/359300839.db2.gz IDILTDPBBBZSBQ-HZSPNIEDSA-N 1 1 324.377 1.427 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000602964700 359327910 /nfs/dbraw/zinc/32/79/10/359327910.db2.gz SFVDFVLKXSZJPP-UKRRQHHQSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000602964700 359327911 /nfs/dbraw/zinc/32/79/11/359327911.db2.gz SFVDFVLKXSZJPP-UKRRQHHQSA-N 1 1 310.350 1.575 20 5 DDBDMO CCN1[C@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603145876 359434230 /nfs/dbraw/zinc/43/42/30/359434230.db2.gz QSEMTFKAHYYWAS-PHIMTYICSA-N 1 1 307.350 1.855 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000186820154 200017554 /nfs/dbraw/zinc/01/75/54/200017554.db2.gz ZTXIEPNKRUGIHA-GFCCVEGCSA-N 1 1 307.350 1.042 20 5 DDBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603401187 359617749 /nfs/dbraw/zinc/61/77/49/359617749.db2.gz ITZREGFHQXAJGW-LBPRGKRZSA-N 1 1 306.366 1.679 20 5 DDBDMO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237555916 202281640 /nfs/dbraw/zinc/28/16/40/202281640.db2.gz TVDXZADYHAEZKR-TVQRCGJNSA-N 1 1 317.349 1.813 20 5 DDBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604278267 359732210 /nfs/dbraw/zinc/73/22/10/359732210.db2.gz ZLSBSQLOABCARO-VIFPVBQESA-N 1 1 317.342 1.106 20 5 DDBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604278267 359732216 /nfs/dbraw/zinc/73/22/16/359732216.db2.gz ZLSBSQLOABCARO-VIFPVBQESA-N 1 1 317.342 1.106 20 5 DDBDMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1[N+](=O)[O-] ZINC000609347444 360299478 /nfs/dbraw/zinc/29/94/78/360299478.db2.gz KZBWNCUZHQBOJO-GFCCVEGCSA-N 1 1 322.365 1.087 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384324 360303375 /nfs/dbraw/zinc/30/33/75/360303375.db2.gz JDQLWRKFZMTUDE-ZDUSSCGKSA-N 1 1 318.377 1.851 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000189691926 200438907 /nfs/dbraw/zinc/43/89/07/200438907.db2.gz DYUJJIFQGZJDCS-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000610662218 360495021 /nfs/dbraw/zinc/49/50/21/360495021.db2.gz XSOJCBFLEYKWNI-UHFFFAOYSA-N 1 1 306.322 1.837 20 5 DDBDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000611201351 360657719 /nfs/dbraw/zinc/65/77/19/360657719.db2.gz UAPCPWTVCHOIQV-WFASDCNBSA-N 1 1 318.377 1.162 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252419 363945399 /nfs/dbraw/zinc/94/53/99/363945399.db2.gz KYKRSZAHBNJPOE-VHSXEESVSA-N 1 1 313.354 1.915 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1CNCC[N@H+]1CC=CCC1)OCCO2 ZINC000619433167 364007011 /nfs/dbraw/zinc/00/70/11/364007011.db2.gz ZWMYNCSDRIADNE-UHFFFAOYSA-N 1 1 319.361 1.718 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1CNCC[N@@H+]1CC=CCC1)OCCO2 ZINC000619433167 364007018 /nfs/dbraw/zinc/00/70/18/364007018.db2.gz ZWMYNCSDRIADNE-UHFFFAOYSA-N 1 1 319.361 1.718 20 5 DDBDMO COc1c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000619435626 364007449 /nfs/dbraw/zinc/00/74/49/364007449.db2.gz MCYGHVBJDRQVDH-LBPRGKRZSA-N 1 1 319.361 1.818 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275318029 212268411 /nfs/dbraw/zinc/26/84/11/212268411.db2.gz DBEZBKQSBIIHDR-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO CC(=O)c1ccc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275318029 212268413 /nfs/dbraw/zinc/26/84/13/212268413.db2.gz DBEZBKQSBIIHDR-NEPJUHHUSA-N 1 1 321.377 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000349961140 284120375 /nfs/dbraw/zinc/12/03/75/284120375.db2.gz BEGWOPRPDXNZOC-GFCCVEGCSA-N 1 1 312.391 1.770 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000349961140 284120377 /nfs/dbraw/zinc/12/03/77/284120377.db2.gz BEGWOPRPDXNZOC-GFCCVEGCSA-N 1 1 312.391 1.770 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccncc1)C1CC1 ZINC000093221573 193217881 /nfs/dbraw/zinc/21/78/81/193217881.db2.gz VKOWRAODXWNREV-UHFFFAOYSA-N 1 1 314.345 1.816 20 5 DDBDMO COc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000264672159 204069242 /nfs/dbraw/zinc/06/92/42/204069242.db2.gz WWZKVJYWOFZCLG-LLVKDONJSA-N 1 1 319.361 1.818 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000282496769 217041085 /nfs/dbraw/zinc/04/10/85/217041085.db2.gz NAPSMDDDCFBNAH-RYUDHWBXSA-N 1 1 311.357 1.621 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)cc1OC(F)F ZINC000266100732 205098488 /nfs/dbraw/zinc/09/84/88/205098488.db2.gz HQOHCUYZGHLWDM-UHFFFAOYSA-N 1 1 317.292 1.311 20 5 DDBDMO NC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282802544 217260112 /nfs/dbraw/zinc/26/01/12/217260112.db2.gz XGPLYJLMHXXMFM-CYBMUJFWSA-N 1 1 320.349 1.263 20 5 DDBDMO CCc1n[nH]c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266445139 205352832 /nfs/dbraw/zinc/35/28/32/205352832.db2.gz BGXIXVPMJRKZAG-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000266445139 205352836 /nfs/dbraw/zinc/35/28/36/205352836.db2.gz BGXIXVPMJRKZAG-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO CCc1[nH]nc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000266445139 205352838 /nfs/dbraw/zinc/35/28/38/205352838.db2.gz BGXIXVPMJRKZAG-NSHDSACASA-N 1 1 323.397 1.827 20 5 DDBDMO O=C(C[N@H+]1CCCC[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000159883831 197370994 /nfs/dbraw/zinc/37/09/94/197370994.db2.gz YQRNYRNHFXQZCG-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@@H+]1CCCC[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000159883831 197370996 /nfs/dbraw/zinc/37/09/96/197370996.db2.gz YQRNYRNHFXQZCG-CQSZACIVSA-N 1 1 319.361 1.331 20 5 DDBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284583504 218089694 /nfs/dbraw/zinc/08/96/94/218089694.db2.gz IKYWOFFPUIEWTP-STQMWFEESA-N 1 1 321.377 1.694 20 5 DDBDMO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCO)CC1 ZINC000059371578 285079706 /nfs/dbraw/zinc/07/97/06/285079706.db2.gz VCJZMRHXCMZVKR-UHFFFAOYSA-N 1 1 302.334 1.257 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000567970557 304256738 /nfs/dbraw/zinc/25/67/38/304256738.db2.gz ICJWDIAWSILKOG-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@]1(C)CO ZINC000567970557 304256740 /nfs/dbraw/zinc/25/67/40/304256740.db2.gz ICJWDIAWSILKOG-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000154876438 197000445 /nfs/dbraw/zinc/00/04/45/197000445.db2.gz NZVJARWHISDWFN-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000154876438 197000447 /nfs/dbraw/zinc/00/04/47/197000447.db2.gz NZVJARWHISDWFN-NSHDSACASA-N 1 1 317.349 1.568 20 5 DDBDMO CN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000352700714 285238849 /nfs/dbraw/zinc/23/88/49/285238849.db2.gz UFJJWJOORWPDPX-CYBMUJFWSA-N 1 1 320.349 1.086 20 5 DDBDMO O=[N+]([O-])c1ccc(Cl)c(CNCC[NH+]2CCC(O)CC2)c1 ZINC000294723607 224193417 /nfs/dbraw/zinc/19/34/17/224193417.db2.gz BANPJEALBYRWQO-UHFFFAOYSA-N 1 1 313.785 1.795 20 5 DDBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000289688761 221156803 /nfs/dbraw/zinc/15/68/03/221156803.db2.gz HKMLLFGRHUFZPI-UHFFFAOYSA-N 1 1 323.397 1.600 20 5 DDBDMO CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000289688761 221156804 /nfs/dbraw/zinc/15/68/04/221156804.db2.gz HKMLLFGRHUFZPI-UHFFFAOYSA-N 1 1 323.397 1.600 20 5 DDBDMO Cc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000352820995 285320783 /nfs/dbraw/zinc/32/07/83/285320783.db2.gz RPDFTKVLHXIVLU-ZJUUUORDSA-N 1 1 309.370 1.477 20 5 DDBDMO COc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)cc1[N+](=O)[O-] ZINC000495251310 533554593 /nfs/dbraw/zinc/55/45/93/533554593.db2.gz KDTNPGBZFYGSOA-UHFFFAOYSA-N 1 1 321.333 1.678 20 5 DDBDMO Cc1n[nH]c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000299449230 533665433 /nfs/dbraw/zinc/66/54/33/533665433.db2.gz PWYPTCSQJRHULP-PHIMTYICSA-N 1 1 323.397 1.724 20 5 DDBDMO Cn1ccnc1[C@@H]([NH2+]CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353514417 285779196 /nfs/dbraw/zinc/77/91/96/285779196.db2.gz GRWHIUNBHZVQDY-AWEZNQCLSA-N 1 1 316.361 1.922 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c1C ZINC000193356915 292291508 /nfs/dbraw/zinc/29/15/08/292291508.db2.gz AOAOANVPDYIRRJ-SNVBAGLBSA-N 1 1 313.379 1.194 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000068800582 406662095 /nfs/dbraw/zinc/66/20/95/406662095.db2.gz MEJMBFGNHDZNBO-CYBMUJFWSA-N 1 1 312.801 1.584 20 5 DDBDMO CN1CCN(C)[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000068800582 406662110 /nfs/dbraw/zinc/66/21/10/406662110.db2.gz MEJMBFGNHDZNBO-CYBMUJFWSA-N 1 1 312.801 1.584 20 5 DDBDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029847192 406928061 /nfs/dbraw/zinc/92/80/61/406928061.db2.gz VTEZVZBKYMZUST-UHFFFAOYSA-N 1 1 320.393 1.191 20 5 DDBDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029847192 406928063 /nfs/dbraw/zinc/92/80/63/406928063.db2.gz VTEZVZBKYMZUST-UHFFFAOYSA-N 1 1 320.393 1.191 20 5 DDBDMO COCC[N@@H+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000075676862 406939555 /nfs/dbraw/zinc/93/95/55/406939555.db2.gz KJGWRLAINAWQHH-UHFFFAOYSA-N 1 1 313.383 1.684 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000090554572 407169557 /nfs/dbraw/zinc/16/95/57/407169557.db2.gz RXXQAWZWGBXOIU-YUELXQCFSA-N 1 1 321.377 1.502 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000097667751 407301365 /nfs/dbraw/zinc/30/13/65/407301365.db2.gz GDHHXCFIRXVDHA-WDEREUQCSA-N 1 1 322.365 1.133 20 5 DDBDMO NS(=O)(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104064473 407345916 /nfs/dbraw/zinc/34/59/16/407345916.db2.gz QIULHGKRYNJJIH-UHFFFAOYSA-N 1 1 313.379 1.095 20 5 DDBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000112406703 407429163 /nfs/dbraw/zinc/42/91/63/407429163.db2.gz RITXUTUXHJPJBV-UHFFFAOYSA-N 1 1 323.393 1.628 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000113198163 407472855 /nfs/dbraw/zinc/47/28/55/407472855.db2.gz AZKZIYLUTIGOGI-GFCCVEGCSA-N 1 1 309.370 1.172 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271326462 407636101 /nfs/dbraw/zinc/63/61/01/407636101.db2.gz AEIVBBQOSZJZOF-LLVKDONJSA-N 1 1 309.370 1.179 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000152879540 407709754 /nfs/dbraw/zinc/70/97/54/407709754.db2.gz PTXFMOQIANTXKX-GUTXKFCHSA-N 1 1 324.377 1.570 20 5 DDBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171584484 407712219 /nfs/dbraw/zinc/71/22/19/407712219.db2.gz NBTVRIHNBQAFBW-HSBSLETESA-N 1 1 301.346 1.915 20 5 DDBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152996003 407730560 /nfs/dbraw/zinc/73/05/60/407730560.db2.gz DWWHCTPMIMPWSH-SWLSCSKDSA-N 1 1 321.377 1.793 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000171665556 407736676 /nfs/dbraw/zinc/73/66/76/407736676.db2.gz XATYRAGAFKZZIO-UHFFFAOYSA-N 1 1 304.350 1.584 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[N@@H+](C)C1CC1 ZINC000186758713 407767215 /nfs/dbraw/zinc/76/72/15/407767215.db2.gz FVECSPLNBAMNCT-LBPRGKRZSA-N 1 1 320.393 1.948 20 5 DDBDMO C[NH+](C)C1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000272159677 407797044 /nfs/dbraw/zinc/79/70/44/407797044.db2.gz YTMJNDSLXKCXNF-UHFFFAOYSA-N 1 1 319.770 1.183 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268033998 407863914 /nfs/dbraw/zinc/86/39/14/407863914.db2.gz LTRCVEVCIHXLKH-AWEZNQCLSA-N 1 1 306.366 1.655 20 5 DDBDMO C[NH+](C)Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1F ZINC000135191549 407988747 /nfs/dbraw/zinc/98/87/47/407988747.db2.gz OHHDZUAOJWFLMG-UHFFFAOYSA-N 1 1 321.312 1.449 20 5 DDBDMO Cc1nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000268505469 408074971 /nfs/dbraw/zinc/07/49/71/408074971.db2.gz QYJCYZHVXLHHHI-LBPRGKRZSA-N 1 1 307.354 1.050 20 5 DDBDMO C[C@@H]1CCC[C@H](CO)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000136170970 408086485 /nfs/dbraw/zinc/08/64/85/408086485.db2.gz KNVDZKVPTDSYKV-YUELXQCFSA-N 1 1 324.377 1.570 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000182297685 408120082 /nfs/dbraw/zinc/12/00/82/408120082.db2.gz DCFFUNWRYHJCRQ-UKRRQHHQSA-N 1 1 322.361 1.445 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000182297685 408120086 /nfs/dbraw/zinc/12/00/86/408120086.db2.gz DCFFUNWRYHJCRQ-UKRRQHHQSA-N 1 1 322.361 1.445 20 5 DDBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nnc2ccccn21 ZINC000182679382 306706409 /nfs/dbraw/zinc/70/64/09/306706409.db2.gz OCJYPVFKBDGIFW-JTQLQIEISA-N 1 1 301.310 1.185 20 5 DDBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000246545905 408290451 /nfs/dbraw/zinc/29/04/51/408290451.db2.gz QMPVBLWYBQFYSK-PWSUYJOCSA-N 1 1 304.350 1.486 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000269446503 408312175 /nfs/dbraw/zinc/31/21/75/408312175.db2.gz FPEZMEOTWJAHEG-CYBMUJFWSA-N 1 1 321.377 1.432 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000131260328 162010096 /nfs/dbraw/zinc/01/00/96/162010096.db2.gz QUWXKTNIJFDGNH-GFCCVEGCSA-N 1 1 317.349 1.359 20 5 DDBDMO COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172886920 162309241 /nfs/dbraw/zinc/30/92/41/162309241.db2.gz HGHIYGDBQXIEIG-AWEZNQCLSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000172886920 162309244 /nfs/dbraw/zinc/30/92/44/162309244.db2.gz HGHIYGDBQXIEIG-AWEZNQCLSA-N 1 1 323.349 1.271 20 5 DDBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269631595 408368359 /nfs/dbraw/zinc/36/83/59/408368359.db2.gz FWXWSESOKRYCRB-BXUZGUMPSA-N 1 1 307.350 1.216 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247506082 408483035 /nfs/dbraw/zinc/48/30/35/408483035.db2.gz XZVMHIZQSMTWGO-QMTHXVAHSA-N 1 1 306.366 1.757 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270350591 408498024 /nfs/dbraw/zinc/49/80/24/408498024.db2.gz GEGUWNOIANWIHM-UHFFFAOYSA-N 1 1 321.377 1.514 20 5 DDBDMO COc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000192690380 408631877 /nfs/dbraw/zinc/63/18/77/408631877.db2.gz CVCKGRKQBODRJU-WDEREUQCSA-N 1 1 319.361 1.958 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000275728958 408661837 /nfs/dbraw/zinc/66/18/37/408661837.db2.gz ATYPEYQYSWRVJH-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000275728958 408661841 /nfs/dbraw/zinc/66/18/41/408661841.db2.gz ATYPEYQYSWRVJH-UHFFFAOYSA-N 1 1 307.350 1.355 20 5 DDBDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000162111713 408670894 /nfs/dbraw/zinc/67/08/94/408670894.db2.gz MVPVDQAFMZQEBU-CQSZACIVSA-N 1 1 306.410 1.883 20 5 DDBDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249078353 408684670 /nfs/dbraw/zinc/68/46/70/408684670.db2.gz SEQAWAMGMUYOIR-NEBZKDRISA-N 1 1 324.377 1.568 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421694 408699671 /nfs/dbraw/zinc/69/96/71/408699671.db2.gz HBCPHFKSCWTAIW-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421694 408699675 /nfs/dbraw/zinc/69/96/75/408699675.db2.gz HBCPHFKSCWTAIW-NEPJUHHUSA-N 1 1 307.350 1.769 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000285872577 408880566 /nfs/dbraw/zinc/88/05/66/408880566.db2.gz RLCNJFFXPORUHD-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO CCN(CCC[NH+](CC)CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000276305366 408833170 /nfs/dbraw/zinc/83/31/70/408833170.db2.gz AXMORYRAZLUXLT-UHFFFAOYSA-N 1 1 311.386 1.820 20 5 DDBDMO CCOC(=O)c1c[nH+]ccc1NCCn1cc([N+](=O)[O-])cn1 ZINC000280810624 408837729 /nfs/dbraw/zinc/83/77/29/408837729.db2.gz WVUHMXMRFJHMBY-UHFFFAOYSA-N 1 1 305.294 1.475 20 5 DDBDMO Cc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000285780985 408863571 /nfs/dbraw/zinc/86/35/71/408863571.db2.gz NAVAKFBQSMKVFV-LSDHHAIUSA-N 1 1 319.361 1.448 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000276477297 408866422 /nfs/dbraw/zinc/86/64/22/408866422.db2.gz FIQCKGLEJJRCMU-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291991085 408957804 /nfs/dbraw/zinc/95/78/04/408957804.db2.gz QNWIQZFCGPSMDA-INIZCTEOSA-N 1 1 318.377 1.832 20 5 DDBDMO CC[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@H](C)C1 ZINC000286423380 408982986 /nfs/dbraw/zinc/98/29/86/408982986.db2.gz REVGZMJSUVXMAB-SNVBAGLBSA-N 1 1 317.349 1.774 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCCO ZINC000282256906 409020678 /nfs/dbraw/zinc/02/06/78/409020678.db2.gz CLSXQRKQAHRNHH-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCCO ZINC000282256906 409020680 /nfs/dbraw/zinc/02/06/80/409020680.db2.gz CLSXQRKQAHRNHH-UHFFFAOYSA-N 1 1 312.366 1.823 20 5 DDBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c(Cl)c1 ZINC000287602204 409062956 /nfs/dbraw/zinc/06/29/56/409062956.db2.gz YUXDSXLPQOMNNS-VXGBXAGGSA-N 1 1 300.742 1.566 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000293417148 409108869 /nfs/dbraw/zinc/10/88/69/409108869.db2.gz MWNBOVHWDUJJBQ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)CO ZINC000293417148 409108870 /nfs/dbraw/zinc/10/88/70/409108870.db2.gz MWNBOVHWDUJJBQ-VIFPVBQESA-N 1 1 315.757 1.889 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000279269430 409181893 /nfs/dbraw/zinc/18/18/93/409181893.db2.gz YSHSCTWKLFZZPT-PHIMTYICSA-N 1 1 305.334 1.237 20 5 DDBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000279281727 409184521 /nfs/dbraw/zinc/18/45/21/409184521.db2.gz WWTQROIHFVCQPC-STQMWFEESA-N 1 1 322.340 1.673 20 5 DDBDMO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290245223 409335279 /nfs/dbraw/zinc/33/52/79/409335279.db2.gz ZNFCFRXEXCGENW-OSMZGAPFSA-N 1 1 323.349 1.234 20 5 DDBDMO CC[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000280694065 409414705 /nfs/dbraw/zinc/41/47/05/409414705.db2.gz ZTXRDENAIZNTRM-UHFFFAOYSA-N 1 1 321.377 1.883 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000316493828 164022700 /nfs/dbraw/zinc/02/27/00/164022700.db2.gz XZRSZOVCYPUAJQ-CYBMUJFWSA-N 1 1 309.341 1.640 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1F ZINC000316493828 164022701 /nfs/dbraw/zinc/02/27/01/164022701.db2.gz XZRSZOVCYPUAJQ-CYBMUJFWSA-N 1 1 309.341 1.640 20 5 DDBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408130119 164236931 /nfs/dbraw/zinc/23/69/31/164236931.db2.gz SVISMLNEOMLWSX-GXSJLCMTSA-N 1 1 309.370 1.191 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@@H]21 ZINC000408471850 164342945 /nfs/dbraw/zinc/34/29/45/164342945.db2.gz XZAKUTJATYYOGI-SKDRFNHKSA-N 1 1 319.317 1.100 20 5 DDBDMO COc1c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331513247 409587637 /nfs/dbraw/zinc/58/76/37/409587637.db2.gz MZHHIBLWVQVJGP-SNVBAGLBSA-N 1 1 305.334 1.570 20 5 DDBDMO C[C@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]C1 ZINC000342711787 409833932 /nfs/dbraw/zinc/83/39/32/409833932.db2.gz AEQFFPACZKOHBT-HNNXBMFYSA-N 1 1 317.349 1.591 20 5 DDBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331920961 409799925 /nfs/dbraw/zinc/79/99/25/409799925.db2.gz CAXRIHRYTULLJW-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331920961 409799934 /nfs/dbraw/zinc/79/99/34/409799934.db2.gz CAXRIHRYTULLJW-SNVBAGLBSA-N 1 1 302.334 1.852 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354391099 409817245 /nfs/dbraw/zinc/81/72/45/409817245.db2.gz JUGUTTHEQTXFQQ-CHWSQXEVSA-N 1 1 323.397 1.513 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccncc1 ZINC000338353613 409932358 /nfs/dbraw/zinc/93/23/58/409932358.db2.gz SIVSKGWACQSASN-UHFFFAOYSA-N 1 1 314.345 1.525 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccncc1 ZINC000338353613 409932366 /nfs/dbraw/zinc/93/23/66/409932366.db2.gz SIVSKGWACQSASN-UHFFFAOYSA-N 1 1 314.345 1.525 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332228477 409993985 /nfs/dbraw/zinc/99/39/85/409993985.db2.gz LIEXJGVTLDXTAY-GHMZBOCLSA-N 1 1 303.366 1.996 20 5 DDBDMO CCNC(=O)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000339320342 410091333 /nfs/dbraw/zinc/09/13/33/410091333.db2.gz XEAXOAMTGIJMJH-CQSZACIVSA-N 1 1 309.366 1.854 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000357552051 410096302 /nfs/dbraw/zinc/09/63/02/410096302.db2.gz VKEFWHLTDGHPRQ-QMMMGPOBSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000357552051 410096313 /nfs/dbraw/zinc/09/63/13/410096313.db2.gz VKEFWHLTDGHPRQ-QMMMGPOBSA-N 1 1 317.305 1.469 20 5 DDBDMO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000351833537 410275432 /nfs/dbraw/zinc/27/54/32/410275432.db2.gz IBQLKXZYPXFLEF-JTQLQIEISA-N 1 1 315.320 1.371 20 5 DDBDMO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000351833537 410275438 /nfs/dbraw/zinc/27/54/38/410275438.db2.gz IBQLKXZYPXFLEF-JTQLQIEISA-N 1 1 315.320 1.371 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)CO ZINC000339635286 410351280 /nfs/dbraw/zinc/35/12/80/410351280.db2.gz UXNWLWCJTLNPDS-LBPRGKRZSA-N 1 1 309.366 1.935 20 5 DDBDMO CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000347004999 410307267 /nfs/dbraw/zinc/30/72/67/410307267.db2.gz KVUFLNXKPUOMMR-AWEZNQCLSA-N 1 1 303.362 1.832 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000299067652 410507266 /nfs/dbraw/zinc/50/72/66/410507266.db2.gz WCQFCKJJUJBDDS-UHFFFAOYSA-N 1 1 313.379 1.451 20 5 DDBDMO Cc1sc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000343491732 410491650 /nfs/dbraw/zinc/49/16/50/410491650.db2.gz BONDOHXBNSOJIC-UHFFFAOYSA-N 1 1 319.408 1.337 20 5 DDBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347394886 410518572 /nfs/dbraw/zinc/51/85/72/410518572.db2.gz XZERFUITGKMYLG-GFCCVEGCSA-N 1 1 306.366 1.727 20 5 DDBDMO COC[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000352233281 410565906 /nfs/dbraw/zinc/56/59/06/410565906.db2.gz BOHGUXSLWWWKEN-IUODEOHRSA-N 1 1 319.361 1.668 20 5 DDBDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355555875 410578091 /nfs/dbraw/zinc/57/80/91/410578091.db2.gz PWPSJCFUDVJHJQ-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355555875 410578094 /nfs/dbraw/zinc/57/80/94/410578094.db2.gz PWPSJCFUDVJHJQ-GFCCVEGCSA-N 1 1 323.397 1.457 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000343580045 410547675 /nfs/dbraw/zinc/54/76/75/410547675.db2.gz VPAPTCDIMFBNSN-SNVBAGLBSA-N 1 1 307.354 1.176 20 5 DDBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000355720618 410659839 /nfs/dbraw/zinc/65/98/39/410659839.db2.gz AJYYEXVYIDMIAQ-LBPRGKRZSA-N 1 1 324.333 1.367 20 5 DDBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000355720618 410659845 /nfs/dbraw/zinc/65/98/45/410659845.db2.gz AJYYEXVYIDMIAQ-LBPRGKRZSA-N 1 1 324.333 1.367 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000340168601 410720013 /nfs/dbraw/zinc/72/00/13/410720013.db2.gz SWJKQYHOQIVWLN-MELADBBJSA-N 1 1 324.377 1.752 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000301782132 410795357 /nfs/dbraw/zinc/79/53/57/410795357.db2.gz SZNOVUPFBPYXNZ-OAHLLOKOSA-N 1 1 309.366 1.398 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000330597688 410809997 /nfs/dbraw/zinc/80/99/97/410809997.db2.gz SJQMLWYEKVHNTN-NWDGAFQWSA-N 1 1 307.350 1.525 20 5 DDBDMO O=C(NCC[NH+]1CCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000337596707 410885006 /nfs/dbraw/zinc/88/50/06/410885006.db2.gz PERVIWKXJLJSPK-UHFFFAOYSA-N 1 1 304.350 1.605 20 5 DDBDMO Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353467330 411004626 /nfs/dbraw/zinc/00/46/26/411004626.db2.gz BFKHIONZKDEODA-LBPRGKRZSA-N 1 1 313.379 1.156 20 5 DDBDMO Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] ZINC000353467330 411004631 /nfs/dbraw/zinc/00/46/31/411004631.db2.gz BFKHIONZKDEODA-LBPRGKRZSA-N 1 1 313.379 1.156 20 5 DDBDMO NC(=O)c1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000341722586 411051996 /nfs/dbraw/zinc/05/19/96/411051996.db2.gz OLOKNUXTFQUVRJ-QWRGUYRKSA-N 1 1 304.350 1.732 20 5 DDBDMO C[C@H]1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000353580637 411071792 /nfs/dbraw/zinc/07/17/92/411071792.db2.gz IQFZFLPGDNRFQS-QWHCGFSZSA-N 1 1 320.393 1.853 20 5 DDBDMO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331201530 411014536 /nfs/dbraw/zinc/01/45/36/411014536.db2.gz QJKPRYYDDORZGF-OLZOCXBDSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331216888 411021638 /nfs/dbraw/zinc/02/16/38/411021638.db2.gz PVNYOXLRRUJJDD-ZJUUUORDSA-N 1 1 309.370 1.654 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CC1(O)CCC1 ZINC000353498245 411033439 /nfs/dbraw/zinc/03/34/39/411033439.db2.gz UQSPZPSBNIUNFP-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1(O)CCC1 ZINC000353498245 411033446 /nfs/dbraw/zinc/03/34/46/411033446.db2.gz UQSPZPSBNIUNFP-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO [NH3+]CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000580714293 422949743 /nfs/dbraw/zinc/94/97/43/422949743.db2.gz PYQQUOBZHNMXBX-NSHDSACASA-N 1 1 303.322 1.528 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134378102 196384057 /nfs/dbraw/zinc/38/40/57/196384057.db2.gz CXHAGFPUOXZULD-CYBMUJFWSA-N 1 1 309.366 1.872 20 5 DDBDMO O=C(CCN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360535655 418458265 /nfs/dbraw/zinc/45/82/65/418458265.db2.gz QPKGCKMRQVLDPG-INIZCTEOSA-N 1 1 318.377 1.609 20 5 DDBDMO CNc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360947553 418551735 /nfs/dbraw/zinc/55/17/35/418551735.db2.gz XMXCEBHQVHAFGA-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000360947553 418551737 /nfs/dbraw/zinc/55/17/37/418551737.db2.gz XMXCEBHQVHAFGA-WDEREUQCSA-N 1 1 306.366 1.801 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000361420922 418649413 /nfs/dbraw/zinc/64/94/13/418649413.db2.gz QECWKSOVMSGMPZ-AWEZNQCLSA-N 1 1 310.350 1.827 20 5 DDBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000361364977 418635710 /nfs/dbraw/zinc/63/57/10/418635710.db2.gz CSLDUOQXZSMXOY-STQMWFEESA-N 1 1 324.381 1.080 20 5 DDBDMO COCC[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000386741908 418741293 /nfs/dbraw/zinc/74/12/93/418741293.db2.gz XUPHWKGYNWYNRS-NSHDSACASA-N 1 1 318.757 1.566 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408073942 418786205 /nfs/dbraw/zinc/78/62/05/418786205.db2.gz VDSKGHUOPYGWPJ-RYUDHWBXSA-N 1 1 321.377 1.986 20 5 DDBDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411165451 418875475 /nfs/dbraw/zinc/87/54/75/418875475.db2.gz OTRSRKJFZSAWIW-UHFFFAOYSA-N 1 1 322.365 1.367 20 5 DDBDMO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681240 418893623 /nfs/dbraw/zinc/89/36/23/418893623.db2.gz VYPRJWANGMBASF-GXTWGEPZSA-N 1 1 321.337 1.286 20 5 DDBDMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000365681240 418893628 /nfs/dbraw/zinc/89/36/28/418893628.db2.gz VYPRJWANGMBASF-GXTWGEPZSA-N 1 1 321.337 1.286 20 5 DDBDMO COC(=O)C(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411368632 418896367 /nfs/dbraw/zinc/89/63/67/418896367.db2.gz OQGIUGZLUVONTC-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO COC(=O)C(C)(C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411368632 418896370 /nfs/dbraw/zinc/89/63/70/418896370.db2.gz OQGIUGZLUVONTC-UHFFFAOYSA-N 1 1 323.349 1.807 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](C)CC1 ZINC000298120523 228365147 /nfs/dbraw/zinc/36/51/47/228365147.db2.gz TVAKQVSSTKMIEW-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCN(C)CC1 ZINC000298120523 228365150 /nfs/dbraw/zinc/36/51/50/228365150.db2.gz TVAKQVSSTKMIEW-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(C)CC1 ZINC000298120523 228365152 /nfs/dbraw/zinc/36/51/52/228365152.db2.gz TVAKQVSSTKMIEW-UHFFFAOYSA-N 1 1 320.393 1.869 20 5 DDBDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952397 419381766 /nfs/dbraw/zinc/38/17/66/419381766.db2.gz XWDXCUIEEUJJLA-NEPJUHHUSA-N 1 1 322.361 1.912 20 5 DDBDMO CC(C)([NH2+]CC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429250993 419991589 /nfs/dbraw/zinc/99/15/89/419991589.db2.gz ANGBOSOSEHXGST-UHFFFAOYSA-N 1 1 307.350 1.278 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)CN ZINC000430929558 420211418 /nfs/dbraw/zinc/21/14/18/420211418.db2.gz PEHPXTFTACBPTN-JTQLQIEISA-N 1 1 310.354 1.211 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)CN ZINC000430929558 420211421 /nfs/dbraw/zinc/21/14/21/420211421.db2.gz PEHPXTFTACBPTN-JTQLQIEISA-N 1 1 310.354 1.211 20 5 DDBDMO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430967673 420228659 /nfs/dbraw/zinc/22/86/59/420228659.db2.gz UDUFBENVXWVGAC-FZMZJTMJSA-N 1 1 306.366 1.593 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444622893 230112792 /nfs/dbraw/zinc/11/27/92/230112792.db2.gz WUBJQYXNGXRTFS-JTQLQIEISA-N 1 1 317.349 1.701 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444622893 230112795 /nfs/dbraw/zinc/11/27/95/230112795.db2.gz WUBJQYXNGXRTFS-JTQLQIEISA-N 1 1 317.349 1.701 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425505703 420403631 /nfs/dbraw/zinc/40/36/31/420403631.db2.gz YWKLQIDLLTXKEO-CYBMUJFWSA-N 1 1 317.349 1.902 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000444830513 230139023 /nfs/dbraw/zinc/13/90/23/230139023.db2.gz WNTPDWJZGCATNH-QWHCGFSZSA-N 1 1 308.382 1.498 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000493608103 420894873 /nfs/dbraw/zinc/89/48/73/420894873.db2.gz CCFOEANGMPNPMV-ISRGKOJGSA-N 1 1 301.346 1.628 20 5 DDBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@@H+](CCCO)C2)c(F)c1 ZINC000449396970 421007006 /nfs/dbraw/zinc/00/70/06/421007006.db2.gz NWIQMKKMOFQUFB-CYBMUJFWSA-N 1 1 311.357 1.670 20 5 DDBDMO O=[N+]([O-])c1ccc(CN[C@@H]2CCC[N@H+](CCCO)C2)c(F)c1 ZINC000449396970 421007009 /nfs/dbraw/zinc/00/70/09/421007009.db2.gz NWIQMKKMOFQUFB-CYBMUJFWSA-N 1 1 311.357 1.670 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000487190415 421009214 /nfs/dbraw/zinc/00/92/14/421009214.db2.gz DBMAVNRFPOBVFS-ZDUSSCGKSA-N 1 1 307.354 1.216 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456026298 421090705 /nfs/dbraw/zinc/09/07/05/421090705.db2.gz WZIYGHJULSACPS-ZJUUUORDSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456026298 421090708 /nfs/dbraw/zinc/09/07/08/421090708.db2.gz WZIYGHJULSACPS-ZJUUUORDSA-N 1 1 307.354 1.196 20 5 DDBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456052321 421093424 /nfs/dbraw/zinc/09/34/24/421093424.db2.gz PQLIQUMKUCDTIF-NSHDSACASA-N 1 1 323.397 1.882 20 5 DDBDMO CC(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489348695 421148867 /nfs/dbraw/zinc/14/88/67/421148867.db2.gz NBESLTTUICQNNZ-OAHLLOKOSA-N 1 1 305.378 1.936 20 5 DDBDMO Nc1c(F)c(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450590408 421212961 /nfs/dbraw/zinc/21/29/61/421212961.db2.gz DREQMIUMMJHKAI-SNVBAGLBSA-N 1 1 312.345 1.575 20 5 DDBDMO Cc1nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450539288 421207779 /nfs/dbraw/zinc/20/77/79/421207779.db2.gz JMAMGXCROZNZDX-NTZNESFSSA-N 1 1 305.382 1.860 20 5 DDBDMO C[C@]1(CO)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000545397465 421257803 /nfs/dbraw/zinc/25/78/03/421257803.db2.gz MQHVCEFARJKFOX-OAHLLOKOSA-N 1 1 318.333 1.992 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548059346 421394543 /nfs/dbraw/zinc/39/45/43/421394543.db2.gz NKGFUDNIVDVTIE-UHFFFAOYSA-N 1 1 318.337 1.239 20 5 DDBDMO C[N@@H+](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CCCC1 ZINC000548413567 421435273 /nfs/dbraw/zinc/43/52/73/421435273.db2.gz BDIYGZZDNFYFMS-UHFFFAOYSA-N 1 1 307.354 1.176 20 5 DDBDMO C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000549845648 421510449 /nfs/dbraw/zinc/51/04/49/421510449.db2.gz YYCSOENCOPPYEQ-UHFFFAOYSA-N 1 1 307.350 1.526 20 5 DDBDMO O=C1C[C@]2(CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CN1 ZINC000581585768 422004535 /nfs/dbraw/zinc/00/45/35/422004535.db2.gz QAJVBMHMHZODCY-OAHLLOKOSA-N 1 1 315.333 1.183 20 5 DDBDMO O=C1C[C@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CN1 ZINC000581585768 422004540 /nfs/dbraw/zinc/00/45/40/422004540.db2.gz QAJVBMHMHZODCY-OAHLLOKOSA-N 1 1 315.333 1.183 20 5 DDBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000190148202 263444511 /nfs/dbraw/zinc/44/45/11/263444511.db2.gz XCYWJIKYBZVUOK-NWDGAFQWSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000190148202 263444513 /nfs/dbraw/zinc/44/45/13/263444513.db2.gz XCYWJIKYBZVUOK-NWDGAFQWSA-N 1 1 323.349 1.005 20 5 DDBDMO NC(=O)c1cccc(NC[C@H]2CCCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000342778462 271515593 /nfs/dbraw/zinc/51/55/93/271515593.db2.gz IUEMOYDNJROCII-SNVBAGLBSA-N 1 1 315.333 1.880 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242528 271979199 /nfs/dbraw/zinc/97/91/99/271979199.db2.gz OCTCKNVGZITEIC-SNVBAGLBSA-N 1 1 307.325 1.948 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000345044330 272162384 /nfs/dbraw/zinc/16/23/84/272162384.db2.gz OIGMNGLTSBWUDT-CYBMUJFWSA-N 1 1 308.382 1.500 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000302464333 274095710 /nfs/dbraw/zinc/09/57/10/274095710.db2.gz VAVFUVXHVRMNHZ-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000302464333 274095713 /nfs/dbraw/zinc/09/57/13/274095713.db2.gz VAVFUVXHVRMNHZ-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@H+](CCO)CC1 ZINC000129808133 275033568 /nfs/dbraw/zinc/03/35/68/275033568.db2.gz CODUXKRUDRXHIU-UHFFFAOYSA-N 1 1 300.746 1.148 20 5 DDBDMO CNc1c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000317213092 277301390 /nfs/dbraw/zinc/30/13/90/277301390.db2.gz AXIQEYMEIDAKBQ-NSHDSACASA-N 1 1 306.366 1.803 20 5 DDBDMO Cc1n[nH]c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110144 280187929 /nfs/dbraw/zinc/18/79/29/280187929.db2.gz IESJCWOIFWESRD-WDEREUQCSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110144 280187931 /nfs/dbraw/zinc/18/79/31/280187931.db2.gz IESJCWOIFWESRD-WDEREUQCSA-N 1 1 307.354 1.183 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000269110144 280187935 /nfs/dbraw/zinc/18/79/35/280187935.db2.gz IESJCWOIFWESRD-WDEREUQCSA-N 1 1 307.354 1.183 20 5 DDBDMO C[N@@H+](CC(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000122739857 281160625 /nfs/dbraw/zinc/16/06/25/281160625.db2.gz IYBYMRQMYUVXHS-ZDUSSCGKSA-N 1 1 309.391 1.648 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000354018279 298340854 /nfs/dbraw/zinc/34/08/54/298340854.db2.gz FGBPOYVYQXYVGG-UHFFFAOYSA-N 1 1 309.322 1.063 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362762441 300133933 /nfs/dbraw/zinc/13/39/33/300133933.db2.gz JARWMHHVLVEUCH-SECBINFHSA-N 1 1 313.304 1.626 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124897 300215541 /nfs/dbraw/zinc/21/55/41/300215541.db2.gz DHMOEQNNMWIJQT-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000363124897 300215544 /nfs/dbraw/zinc/21/55/44/300215544.db2.gz DHMOEQNNMWIJQT-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000363124897 300215547 /nfs/dbraw/zinc/21/55/47/300215547.db2.gz DHMOEQNNMWIJQT-BMFZPTHFSA-N 1 1 317.389 1.775 20 5 DDBDMO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450547691 300298522 /nfs/dbraw/zinc/29/85/22/300298522.db2.gz OPGRZYWRURVHQF-LLVKDONJSA-N 1 1 318.377 1.614 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000363904170 300323748 /nfs/dbraw/zinc/32/37/48/300323748.db2.gz LBUQBWLFSCICAU-GXFFZTMASA-N 1 1 319.365 1.128 20 5 DDBDMO O=C1O[C@H](C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007172 301118160 /nfs/dbraw/zinc/11/81/60/301118160.db2.gz GRHCOKNDLRSWQB-YPMHNXCESA-N 1 1 320.349 1.524 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000369143536 301136768 /nfs/dbraw/zinc/13/67/68/301136768.db2.gz KWOZVDDEPSBEQC-VHSXEESVSA-N 1 1 307.354 1.237 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469401 301345661 /nfs/dbraw/zinc/34/56/61/301345661.db2.gz CUEOTLHVBXFTEC-FAAHXZRKSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000370469401 301345664 /nfs/dbraw/zinc/34/56/64/301345664.db2.gz CUEOTLHVBXFTEC-FAAHXZRKSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000370469401 301345666 /nfs/dbraw/zinc/34/56/66/301345666.db2.gz CUEOTLHVBXFTEC-FAAHXZRKSA-N 1 1 303.362 1.431 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000377331888 302170817 /nfs/dbraw/zinc/17/08/17/302170817.db2.gz UTULODKKEFECGV-SECBINFHSA-N 1 1 317.305 1.469 20 5 DDBDMO COC(=O)c1cnc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000377331888 302170820 /nfs/dbraw/zinc/17/08/20/302170820.db2.gz UTULODKKEFECGV-SECBINFHSA-N 1 1 317.305 1.469 20 5 DDBDMO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000377688095 302212454 /nfs/dbraw/zinc/21/24/54/302212454.db2.gz IHMBXLLDENHMKW-YJNKXOJESA-N 1 1 303.362 1.386 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000377767458 302229335 /nfs/dbraw/zinc/22/93/35/302229335.db2.gz MWILFINXCYXDFK-ZIAGYGMSSA-N 1 1 306.366 1.825 20 5 DDBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000378270553 302306351 /nfs/dbraw/zinc/30/63/51/302306351.db2.gz SCLIXEJKNKOHKL-VIFPVBQESA-N 1 1 314.305 1.858 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362080614 307013172 /nfs/dbraw/zinc/01/31/72/307013172.db2.gz YGRBIKKXWWFXOJ-STQMWFEESA-N 1 1 321.377 1.792 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000372658335 307172744 /nfs/dbraw/zinc/17/27/44/307172744.db2.gz YAFABQJYWLYJIZ-KKUMJFAQSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000372658335 307172745 /nfs/dbraw/zinc/17/27/45/307172745.db2.gz YAFABQJYWLYJIZ-KKUMJFAQSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC1[N+](=O)[O-] ZINC000372658335 307172746 /nfs/dbraw/zinc/17/27/46/307172746.db2.gz YAFABQJYWLYJIZ-KKUMJFAQSA-N 1 1 303.362 1.432 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376486047 307245750 /nfs/dbraw/zinc/24/57/50/307245750.db2.gz QEEWVORJPJLVTI-FUNVUKJBSA-N 1 1 318.377 1.995 20 5 DDBDMO Cc1nn(C)c(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000582940395 337219943 /nfs/dbraw/zinc/21/99/43/337219943.db2.gz XYNFRDJSZJPTMR-LLVKDONJSA-N 1 1 307.398 1.947 20 5 DDBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000452046072 533875792 /nfs/dbraw/zinc/87/57/92/533875792.db2.gz UZMSCMYTDBPDOW-INIZCTEOSA-N 1 1 318.377 1.901 20 5 DDBDMO C[C@H]1COCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000331926355 534022696 /nfs/dbraw/zinc/02/26/96/534022696.db2.gz CUZOQUDSTBRKHI-OCCSQVGLSA-N 1 1 310.350 1.303 20 5 DDBDMO C[C@@H]([N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000451357593 534284966 /nfs/dbraw/zinc/28/49/66/534284966.db2.gz DPHARPFYCGAPOD-DGCLKSJQSA-N 1 1 312.366 1.426 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459584239 528035371 /nfs/dbraw/zinc/03/53/71/528035371.db2.gz HTFPUYMIQXEJIJ-UHFFFAOYSA-N 1 1 308.338 1.038 20 5 DDBDMO C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+](C)C1CC1 ZINC000736025458 598522762 /nfs/dbraw/zinc/52/27/62/598522762.db2.gz GXOQJEUSYRABMZ-VIFPVBQESA-N 1 1 317.353 1.670 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000797731692 700021908 /nfs/dbraw/zinc/02/19/08/700021908.db2.gz CPUIWWJQQQSAFE-LBPRGKRZSA-N 1 1 307.350 1.445 20 5 DDBDMO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000797731692 700021910 /nfs/dbraw/zinc/02/19/10/700021910.db2.gz CPUIWWJQQQSAFE-LBPRGKRZSA-N 1 1 307.350 1.445 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000068240347 696369504 /nfs/dbraw/zinc/36/95/04/696369504.db2.gz KVAJPOYCOJHFHX-UHFFFAOYSA-N 1 1 322.321 1.671 20 5 DDBDMO COCC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980576782 696804390 /nfs/dbraw/zinc/80/43/90/696804390.db2.gz DLXZETUMMCQPRL-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO COCC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980576782 696804392 /nfs/dbraw/zinc/80/43/92/696804392.db2.gz DLXZETUMMCQPRL-UHFFFAOYSA-N 1 1 307.350 1.276 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000151275448 696882753 /nfs/dbraw/zinc/88/27/53/696882753.db2.gz FIWIVKNPXQQTGJ-CQSZACIVSA-N 1 1 306.366 1.589 20 5 DDBDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC000985430606 697509995 /nfs/dbraw/zinc/50/99/95/697509995.db2.gz GEHNQODABDWPSI-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000985430606 697509996 /nfs/dbraw/zinc/50/99/96/697509996.db2.gz GEHNQODABDWPSI-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000985430606 697509998 /nfs/dbraw/zinc/50/99/98/697509998.db2.gz GEHNQODABDWPSI-ZIAGYGMSSA-N 1 1 322.365 1.071 20 5 DDBDMO C[C@H]1COCCC[N@@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772819345 697681480 /nfs/dbraw/zinc/68/14/80/697681480.db2.gz AUOGYKOXRBFAIE-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO C[C@H]1COCCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000772819345 697681484 /nfs/dbraw/zinc/68/14/84/697681484.db2.gz AUOGYKOXRBFAIE-LBPRGKRZSA-N 1 1 317.349 1.922 20 5 DDBDMO Cc1nn(C[N@H+](C)C[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749954353 700194303 /nfs/dbraw/zinc/19/43/03/700194303.db2.gz KIVLYRNQEFPWLJ-GFCCVEGCSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@@H+](C)C[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000749954353 700194306 /nfs/dbraw/zinc/19/43/06/700194306.db2.gz KIVLYRNQEFPWLJ-GFCCVEGCSA-N 1 1 305.338 1.716 20 5 DDBDMO CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000776581637 698121172 /nfs/dbraw/zinc/12/11/72/698121172.db2.gz FQAHGJLKHUBMJI-JKSUJKDBSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000776581637 698121175 /nfs/dbraw/zinc/12/11/75/698121175.db2.gz FQAHGJLKHUBMJI-JKSUJKDBSA-N 1 1 305.378 1.797 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000776581637 698121177 /nfs/dbraw/zinc/12/11/77/698121177.db2.gz FQAHGJLKHUBMJI-JKSUJKDBSA-N 1 1 305.378 1.797 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961838 698666252 /nfs/dbraw/zinc/66/62/52/698666252.db2.gz JQDUYENKQWAOEK-GJZGRUSLSA-N 1 1 310.350 1.366 20 5 DDBDMO CCCc1[nH]nc(C(=O)OCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000796262025 699922330 /nfs/dbraw/zinc/92/23/30/699922330.db2.gz VQBLEALLMNITMW-UHFFFAOYSA-N 1 1 307.310 1.632 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000767586135 701118390 /nfs/dbraw/zinc/11/83/90/701118390.db2.gz FTPMPKFIQZOZHN-CQSZACIVSA-N 1 1 310.350 1.447 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000767586135 701118392 /nfs/dbraw/zinc/11/83/92/701118392.db2.gz FTPMPKFIQZOZHN-CQSZACIVSA-N 1 1 310.350 1.447 20 5 DDBDMO CN(C)c1cc[nH+]c(NCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000770464254 701279135 /nfs/dbraw/zinc/27/91/35/701279135.db2.gz MOCFNTDWEOJPNK-UHFFFAOYSA-N 1 1 303.322 1.942 20 5 DDBDMO C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840458603 702116972 /nfs/dbraw/zinc/11/69/72/702116972.db2.gz CVGROMQSKOONJR-ZGKBOVNRSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000840458603 702116978 /nfs/dbraw/zinc/11/69/78/702116978.db2.gz CVGROMQSKOONJR-ZGKBOVNRSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000840458603 702116984 /nfs/dbraw/zinc/11/69/84/702116984.db2.gz CVGROMQSKOONJR-ZGKBOVNRSA-N 1 1 303.362 1.431 20 5 DDBDMO CC[N@@H+](C[C@@H](C)OC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000812301456 702143644 /nfs/dbraw/zinc/14/36/44/702143644.db2.gz HPPGDNCYVGZVJG-SNVBAGLBSA-N 1 1 307.354 1.962 20 5 DDBDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000812341056 702164107 /nfs/dbraw/zinc/16/41/07/702164107.db2.gz FGPNUMORGSCIRZ-KGLIPLIRSA-N 1 1 303.362 1.927 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000868519333 702174153 /nfs/dbraw/zinc/17/41/53/702174153.db2.gz AOSYIMLSSGVSQW-WCQYABFASA-N 1 1 307.325 1.439 20 5 DDBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000879333679 706653127 /nfs/dbraw/zinc/65/31/27/706653127.db2.gz CMRHQRZYCXRUOO-OAHLLOKOSA-N 1 1 320.393 1.921 20 5 DDBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841024396 702314430 /nfs/dbraw/zinc/31/44/30/702314430.db2.gz SNAQHXUZKQFKST-OCVGTWLNSA-N 1 1 315.373 1.795 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000817679669 702449157 /nfs/dbraw/zinc/44/91/57/702449157.db2.gz VGRZZAXPJSTLFH-VIFPVBQESA-N 1 1 310.329 1.482 20 5 DDBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000845736055 703195021 /nfs/dbraw/zinc/19/50/21/703195021.db2.gz RHGDHDLHLZRSJK-LLVKDONJSA-N 1 1 324.381 1.942 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846876605 703345344 /nfs/dbraw/zinc/34/53/44/703345344.db2.gz BMWJJSXEDPAJLB-AWEZNQCLSA-N 1 1 317.349 1.174 20 5 DDBDMO CNc1nccc(C(=O)NCC[N@H+]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000848373717 703544681 /nfs/dbraw/zinc/54/46/81/703544681.db2.gz JJYRKYYHQIJQRT-SNVBAGLBSA-N 1 1 307.354 1.246 20 5 DDBDMO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000818971351 704038767 /nfs/dbraw/zinc/03/87/67/704038767.db2.gz UPIJTTCFYZHHNQ-MFKMUULPSA-N 1 1 317.349 1.517 20 5 DDBDMO CN(C)c1nc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000819128925 704073480 /nfs/dbraw/zinc/07/34/80/704073480.db2.gz URFCXWXCMZKCPQ-CYBMUJFWSA-N 1 1 322.390 1.941 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000822132982 704882571 /nfs/dbraw/zinc/88/25/71/704882571.db2.gz PCGZAOIIEFMTQZ-LBPRGKRZSA-N 1 1 321.377 1.350 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874848710 705202723 /nfs/dbraw/zinc/20/27/23/705202723.db2.gz GMDIGNFSLFCPRD-OLZOCXBDSA-N 1 1 319.361 1.912 20 5 DDBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000861343131 705435222 /nfs/dbraw/zinc/43/52/22/705435222.db2.gz YYEATNIWWZEMQO-NHYWBVRUSA-N 1 1 323.349 1.443 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825379938 705658732 /nfs/dbraw/zinc/65/87/32/705658732.db2.gz UECFAZGVPIEYPG-ABAIWWIYSA-N 1 1 319.361 1.229 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825776605 705729664 /nfs/dbraw/zinc/72/96/64/705729664.db2.gz JUIRMXGUFHTWHE-UKRRQHHQSA-N 1 1 319.361 1.229 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827328221 705976238 /nfs/dbraw/zinc/97/62/38/705976238.db2.gz DFQWIIHZFAYDNH-YPMHNXCESA-N 1 1 321.381 1.079 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827331140 705977612 /nfs/dbraw/zinc/97/76/12/705977612.db2.gz WSHUUTLNZSDACW-ZWNOBZJWSA-N 1 1 307.325 1.900 20 5 DDBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000863833918 706025022 /nfs/dbraw/zinc/02/50/22/706025022.db2.gz XZCIVSFPVUVRSX-VIFPVBQESA-N 1 1 313.741 1.045 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000864610878 706212029 /nfs/dbraw/zinc/21/20/29/706212029.db2.gz VBAGLXZVUVCWOE-GFCCVEGCSA-N 1 1 309.341 1.877 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000865999437 706589699 /nfs/dbraw/zinc/58/96/99/706589699.db2.gz AAKYTTJYZVRSRK-UHFFFAOYSA-N 1 1 313.361 1.651 20 5 DDBDMO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000927127091 712945118 /nfs/dbraw/zinc/94/51/18/712945118.db2.gz QWQSNJOQHJYYDB-TVQRCGJNSA-N 1 1 308.313 1.852 20 5 DDBDMO O=[N+]([O-])c1c(F)nccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000882021658 707469616 /nfs/dbraw/zinc/46/96/16/707469616.db2.gz FKIJGZALXFFXHH-NSHDSACASA-N 1 1 310.329 1.287 20 5 DDBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000872779129 707596872 /nfs/dbraw/zinc/59/68/72/707596872.db2.gz MYCHKUCDGUVBFQ-UONOGXRCSA-N 1 1 304.350 1.367 20 5 DDBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000837225990 707601341 /nfs/dbraw/zinc/60/13/41/707601341.db2.gz XLVWQUWNNOQCGQ-UHFFFAOYSA-N 1 1 306.366 1.781 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000882489179 707660805 /nfs/dbraw/zinc/66/08/05/707660805.db2.gz NRYBVLLZPIOUPU-ZDUSSCGKSA-N 1 1 316.361 1.829 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000882490315 707661323 /nfs/dbraw/zinc/66/13/23/707661323.db2.gz MQSYWVSMDNSSRF-LLVKDONJSA-N 1 1 314.345 1.967 20 5 DDBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000883757262 708059819 /nfs/dbraw/zinc/05/98/19/708059819.db2.gz HTHZVSQQRSSMER-CYBMUJFWSA-N 1 1 306.366 1.797 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000886591278 708784332 /nfs/dbraw/zinc/78/43/32/708784332.db2.gz QCBPNDGFODZLEX-GFCCVEGCSA-N 1 1 308.382 1.736 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000886591278 708784335 /nfs/dbraw/zinc/78/43/35/708784335.db2.gz QCBPNDGFODZLEX-GFCCVEGCSA-N 1 1 308.382 1.736 20 5 DDBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000886596182 708787643 /nfs/dbraw/zinc/78/76/43/708787643.db2.gz YLRWCHBVDUKHKX-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000886596182 708787646 /nfs/dbraw/zinc/78/76/46/708787646.db2.gz YLRWCHBVDUKHKX-NSHDSACASA-N 1 1 309.370 1.131 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)n1 ZINC000886799700 708847336 /nfs/dbraw/zinc/84/73/36/708847336.db2.gz VLBOFNFCCZMHFT-JTQLQIEISA-N 1 1 308.260 1.038 20 5 DDBDMO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000899024487 708956280 /nfs/dbraw/zinc/95/62/80/708956280.db2.gz OLUTWQDPXDFCPT-HUUCEWRRSA-N 1 1 312.329 1.529 20 5 DDBDMO C[N@H+](CCCF)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000887137352 708969745 /nfs/dbraw/zinc/96/97/45/708969745.db2.gz FGLVGGMGISFKRJ-UHFFFAOYSA-N 1 1 313.285 1.553 20 5 DDBDMO C[N@@H+](CCCF)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000887137352 708969749 /nfs/dbraw/zinc/96/97/49/708969749.db2.gz FGLVGGMGISFKRJ-UHFFFAOYSA-N 1 1 313.285 1.553 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887939163 709173322 /nfs/dbraw/zinc/17/33/22/709173322.db2.gz RPWNJMMSWFEQGO-CJNGLKHVSA-N 1 1 303.362 1.547 20 5 DDBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCOC ZINC000893055777 710547856 /nfs/dbraw/zinc/54/78/56/710547856.db2.gz HNANMVQRSRYYMZ-GFCCVEGCSA-N 1 1 311.386 1.265 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000893939074 710893394 /nfs/dbraw/zinc/89/33/94/710893394.db2.gz HFDVBUMDOKJOLS-IAQYHMDHSA-N 1 1 316.361 1.620 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318421 711095733 /nfs/dbraw/zinc/09/57/33/711095733.db2.gz PMQIJENKOFUFDS-LSDHHAIUSA-N 1 1 315.377 1.711 20 5 DDBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000903318421 711095737 /nfs/dbraw/zinc/09/57/37/711095737.db2.gz PMQIJENKOFUFDS-LSDHHAIUSA-N 1 1 315.377 1.711 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ncnc2sc([N+](=O)[O-])cc21 ZINC000894879972 711306213 /nfs/dbraw/zinc/30/62/13/711306213.db2.gz ZQGOFKSKXHMEDM-DTORHVGOSA-N 1 1 305.363 1.882 20 5 DDBDMO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895248267 711465307 /nfs/dbraw/zinc/46/53/07/711465307.db2.gz ZPOXDGLMTYDWIL-CABZTGNLSA-N 1 1 313.789 1.111 20 5 DDBDMO COc1c(O)ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000895444173 711514004 /nfs/dbraw/zinc/51/40/04/711514004.db2.gz RFGFWHZJYRQKMC-RYUDHWBXSA-N 1 1 308.334 1.777 20 5 DDBDMO CN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770306 711601589 /nfs/dbraw/zinc/60/15/89/711601589.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 1 1 320.397 1.222 20 5 DDBDMO CSCc1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000895813185 711614130 /nfs/dbraw/zinc/61/41/30/711614130.db2.gz GGCUMNRTCMICGY-UHFFFAOYSA-N 1 1 307.379 1.908 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896523831 711738103 /nfs/dbraw/zinc/73/81/03/711738103.db2.gz QYPQENCWBGYVEF-CYBMUJFWSA-N 1 1 323.397 1.785 20 5 DDBDMO COc1cc(CN2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000904406423 711853630 /nfs/dbraw/zinc/85/36/30/711853630.db2.gz SRZZLCMKEVIXHI-LLVKDONJSA-N 1 1 309.366 1.783 20 5 DDBDMO C[N@H+]1CC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000913931064 713321422 /nfs/dbraw/zinc/32/14/22/713321422.db2.gz QGRFUOVZSOMDMA-ZDUSSCGKSA-N 1 1 307.354 1.010 20 5 DDBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000908350611 712749308 /nfs/dbraw/zinc/74/93/08/712749308.db2.gz ZUTSADOXPZLUGX-UFBFGSQYSA-N 1 1 324.768 1.607 20 5 DDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[NH+]2CCCC2)C1=O ZINC000915790432 713431461 /nfs/dbraw/zinc/43/14/61/713431461.db2.gz XCIQXLWTAXVTCZ-OAHLLOKOSA-N 1 1 318.333 1.415 20 5 DDBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000930214227 713778923 /nfs/dbraw/zinc/77/89/23/713778923.db2.gz LXTUHVDGJMENEC-NSHDSACASA-N 1 1 311.357 1.714 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000931397838 714083912 /nfs/dbraw/zinc/08/39/12/714083912.db2.gz ZYGOCKJBPOIMFQ-OKILXGFUSA-N 1 1 319.361 1.740 20 5 DDBDMO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000933743532 714660991 /nfs/dbraw/zinc/66/09/91/714660991.db2.gz GFGRSBJJUMKPPB-XJKSGUPXSA-N 1 1 305.378 1.987 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117634 714746000 /nfs/dbraw/zinc/74/60/00/714746000.db2.gz HROOBCPPKROSOL-HUUCEWRRSA-N 1 1 319.361 1.593 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934117634 714746002 /nfs/dbraw/zinc/74/60/02/714746002.db2.gz HROOBCPPKROSOL-HUUCEWRRSA-N 1 1 319.361 1.593 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000934838776 714914287 /nfs/dbraw/zinc/91/42/87/714914287.db2.gz OZFOKYWGXRIRGD-KBPBESRZSA-N 1 1 308.382 1.930 20 5 DDBDMO Cc1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928552 721854121 /nfs/dbraw/zinc/85/41/21/721854121.db2.gz OFDFHGNKIGDNSP-ZIAGYGMSSA-N 1 1 319.409 1.513 20 5 DDBDMO Cc1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928552 721854123 /nfs/dbraw/zinc/85/41/23/721854123.db2.gz OFDFHGNKIGDNSP-ZIAGYGMSSA-N 1 1 319.409 1.513 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001120900037 782221014 /nfs/dbraw/zinc/22/10/14/782221014.db2.gz MDTOYKXLXMPVAP-GASCZTMLSA-N 1 1 305.382 1.641 20 5 DDBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC001105415354 741196948 /nfs/dbraw/zinc/19/69/48/741196948.db2.gz PYNCXHNZOVPHDQ-UHFFFAOYSA-N 1 1 323.397 1.225 20 5 DDBDMO O=C(NCC[NH2+]C/C=C/c1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936863 742853794 /nfs/dbraw/zinc/85/37/94/742853794.db2.gz VFPSMGCVZWVGCT-GEYXIOIISA-N 1 1 323.780 1.724 20 5 DDBDMO COC(=O)c1cnc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001186895577 744462254 /nfs/dbraw/zinc/46/22/54/744462254.db2.gz IBULHIBSTHVVAW-PWSUYJOCSA-N 1 1 320.349 1.164 20 5 DDBDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001192490995 745795467 /nfs/dbraw/zinc/79/54/67/745795467.db2.gz XTNDZGZBUZBVPO-MNOVXSKESA-N 1 1 318.333 1.848 20 5 DDBDMO Cc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001196907727 747005148 /nfs/dbraw/zinc/00/51/48/747005148.db2.gz NBUJEVPDRIVBAJ-OAHLLOKOSA-N 1 1 302.334 1.691 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c(Cl)c1 ZINC001198752039 747598667 /nfs/dbraw/zinc/59/86/67/747598667.db2.gz HZEKDJBMNMFTRD-JQWIXIFHSA-N 1 1 314.769 1.671 20 5 DDBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644741 750627085 /nfs/dbraw/zinc/62/70/85/750627085.db2.gz LMJRYXPSPAJODG-FPQZTECRSA-N 1 1 324.406 1.325 20 5 DDBDMO CC(=O)NCc1ccc(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC001034804814 750902522 /nfs/dbraw/zinc/90/25/22/750902522.db2.gz MIMSOJHCBGLBQG-UHFFFAOYSA-N 1 1 317.349 1.254 20 5 DDBDMO CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169029690 762186800 /nfs/dbraw/zinc/18/68/00/762186800.db2.gz VFSCUCSJTKGPJQ-RWMBFGLXSA-N 1 1 312.366 1.276 20 5 DDBDMO COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169053569 762208263 /nfs/dbraw/zinc/20/82/63/762208263.db2.gz ITPPFICTYNWZHF-GZBFAFLISA-N 1 1 321.377 1.989 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C1 ZINC001169054390 762210305 /nfs/dbraw/zinc/21/03/05/762210305.db2.gz LTEJMGNVMCYJCB-RTXFEEFZSA-N 1 1 310.329 1.514 20 5 DDBDMO Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001086363398 761492633 /nfs/dbraw/zinc/49/26/33/761492633.db2.gz RNUWYYRISSVKLE-FPQZTECRSA-N 1 1 324.406 1.101 20 5 DDBDMO O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325720 763467580 /nfs/dbraw/zinc/46/75/80/763467580.db2.gz LKQIVEVMZKRIRK-KBUPBQIOSA-N 1 1 309.410 1.716 20 5 DDBDMO CCNC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329587 766254791 /nfs/dbraw/zinc/25/47/91/766254791.db2.gz RWODCHDXYWDLON-NSHDSACASA-N 1 1 309.366 1.602 20 5 DDBDMO CCNC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329587 766254797 /nfs/dbraw/zinc/25/47/97/766254797.db2.gz RWODCHDXYWDLON-NSHDSACASA-N 1 1 309.366 1.602 20 5 DDBDMO CC[NH+](CC)CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001135508533 771541999 /nfs/dbraw/zinc/54/19/99/771541999.db2.gz PUIVMHXTEUUQJH-UHFFFAOYSA-N 1 1 314.411 1.204 20 5 DDBDMO Cc1c[nH+]cn1CC(=O)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094008637 775325533 /nfs/dbraw/zinc/32/55/33/775325533.db2.gz RYHUTGSVVHVBSX-UHFFFAOYSA-N 1 1 321.312 1.467 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CCOC[C@@H](O)C1)CC2 ZINC001172903901 776917088 /nfs/dbraw/zinc/91/70/88/776917088.db2.gz JKBXUHKTIIBVFR-HOCLYGCPSA-N 1 1 306.362 1.535 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CCOCC1 ZINC001173228944 777062251 /nfs/dbraw/zinc/06/22/51/777062251.db2.gz OEXVEUBSWGYNDO-CQSZACIVSA-N 1 1 307.394 1.790 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173235891 777063980 /nfs/dbraw/zinc/06/39/80/777063980.db2.gz CBLYZLMFSAWQKM-OCCSQVGLSA-N 1 1 320.393 1.919 20 5 DDBDMO Cc1nc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC001178463761 779060998 /nfs/dbraw/zinc/06/09/98/779060998.db2.gz LCGBGJYKWHMWNW-ZIAGYGMSSA-N 1 1 324.381 1.414 20 5 DDBDMO C[NH+](C)/C=C/c1cc(NCCn2ccnn2)ncc1[N+](=O)[O-] ZINC001154623346 861292553 /nfs/dbraw/zinc/29/25/53/861292553.db2.gz ZZDHPJDOHNJTIU-ZZXKWVIFSA-N 1 1 303.326 1.226 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326838085 861646128 /nfs/dbraw/zinc/64/61/28/861646128.db2.gz AFNXLKZGSVWKEA-RWMBFGLXSA-N 1 1 308.382 1.630 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001326838085 861646134 /nfs/dbraw/zinc/64/61/34/861646134.db2.gz AFNXLKZGSVWKEA-RWMBFGLXSA-N 1 1 308.382 1.630 20 5 DDBDMO CS(=O)(=O)C1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000715252871 846425878 /nfs/dbraw/zinc/42/58/78/846425878.db2.gz YBWUSNLNMPUSBR-UHFFFAOYSA-N 1 1 318.782 1.913 20 5 DDBDMO CN1CCO[C@@H](CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001155197297 861827714 /nfs/dbraw/zinc/82/77/14/861827714.db2.gz KXWXFYTVLUKVRD-IHVVCDCBSA-N 1 1 321.381 1.265 20 5 DDBDMO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001327213618 861969530 /nfs/dbraw/zinc/96/95/30/861969530.db2.gz VGJSXUBUAGZGDA-HZPDHXFCSA-N 1 1 319.405 1.941 20 5 DDBDMO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001327213618 861969542 /nfs/dbraw/zinc/96/95/42/861969542.db2.gz VGJSXUBUAGZGDA-HZPDHXFCSA-N 1 1 319.405 1.941 20 5 DDBDMO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001327213618 861969550 /nfs/dbraw/zinc/96/95/50/861969550.db2.gz VGJSXUBUAGZGDA-HZPDHXFCSA-N 1 1 319.405 1.941 20 5 DDBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030316 862035993 /nfs/dbraw/zinc/03/59/93/862035993.db2.gz LHNSTEVKAGJJNX-CMPLNLGQSA-N 1 1 320.349 1.252 20 5 DDBDMO O=C(Cc1cnc[nH]1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001155977798 862607072 /nfs/dbraw/zinc/60/70/72/862607072.db2.gz IGHHQGPKAXSATP-UHFFFAOYSA-N 1 1 300.278 1.053 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C[NH+](C)C)on1 ZINC001124075765 859563724 /nfs/dbraw/zinc/56/37/24/859563724.db2.gz PGPKEBRHUOIDTQ-UHFFFAOYSA-N 1 1 321.289 1.872 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(CO)C2)c1 ZINC001328606029 863103625 /nfs/dbraw/zinc/10/36/25/863103625.db2.gz XYAGOVGKEVHDTN-INIZCTEOSA-N 1 1 322.361 1.976 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(CO)C2)c1 ZINC001328606029 863103631 /nfs/dbraw/zinc/10/36/31/863103631.db2.gz XYAGOVGKEVHDTN-INIZCTEOSA-N 1 1 322.361 1.976 20 5 DDBDMO COC(=O)c1cnc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266085 863695696 /nfs/dbraw/zinc/69/56/96/863695696.db2.gz NQEOHOJJWFQXQE-ZWNOBZJWSA-N 1 1 320.349 1.307 20 5 DDBDMO CCOc1nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001157271745 863701269 /nfs/dbraw/zinc/70/12/69/863701269.db2.gz JEPFBZOOKHSRLO-AAEUAGOBSA-N 1 1 306.366 1.919 20 5 DDBDMO CC(C)[N@@H+](C)CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329991742 864000575 /nfs/dbraw/zinc/00/05/75/864000575.db2.gz QRCZPGIHCHMFRV-UHFFFAOYSA-N 1 1 306.366 1.960 20 5 DDBDMO CN1C[C@H](CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1=O ZINC001157909928 864251950 /nfs/dbraw/zinc/25/19/50/864251950.db2.gz TWVWKLLCJUFLFO-ZWNMCFTASA-N 1 1 319.365 1.412 20 5 DDBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001225629915 881945221 /nfs/dbraw/zinc/94/52/21/881945221.db2.gz SUPDTKQTLZJECC-CIQGVGRVSA-N 1 1 321.333 1.535 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001323458459 866623741 /nfs/dbraw/zinc/62/37/41/866623741.db2.gz VYKXCHZWQLSQFR-IYBDPMFKSA-N 1 1 303.362 1.774 20 5 DDBDMO O=[N+]([O-])c1ccc2c(c1)CN(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC001323458459 866623747 /nfs/dbraw/zinc/62/37/47/866623747.db2.gz VYKXCHZWQLSQFR-IYBDPMFKSA-N 1 1 303.362 1.774 20 5 DDBDMO C[NH+](C)/C=C/c1cc(N[C@H]2CNC(=O)C2(C)C)ncc1[N+](=O)[O-] ZINC001163010976 867993889 /nfs/dbraw/zinc/99/38/89/867993889.db2.gz HQVWYABLCDMOJQ-FYJFLYSWSA-N 1 1 319.365 1.459 20 5 DDBDMO COc1cc(C)nc(N2CCC(F)(F)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164319511 869123456 /nfs/dbraw/zinc/12/34/56/869123456.db2.gz IMWNLTJWIYYZRQ-VIFPVBQESA-N 1 1 302.281 1.480 20 5 DDBDMO COC(=O)c1cc(OC)c(O[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001226430082 882426850 /nfs/dbraw/zinc/42/68/50/882426850.db2.gz CERRPCORPJLBDP-SNVBAGLBSA-N 1 1 324.333 1.863 20 5 DDBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@]12CCC[C@H]1OCC2 ZINC001308169411 871478183 /nfs/dbraw/zinc/47/81/83/871478183.db2.gz XTZMDJUWXCUSHN-GDBMZVCRSA-N 1 1 321.377 1.648 20 5 DDBDMO CC(C)Cn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001347610105 874209673 /nfs/dbraw/zinc/20/96/73/874209673.db2.gz BPOLUPLRXZOPJA-GFCCVEGCSA-N 1 1 324.429 1.802 20 5 DDBDMO O=[N+]([O-])CC[NH2+]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC001356585808 879113775 /nfs/dbraw/zinc/11/37/75/879113775.db2.gz WALIVZXAQOIBNB-JTQLQIEISA-N 1 1 312.675 1.956 20 5 DDBDMO O=[N+]([O-])CCNC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001356610551 879129478 /nfs/dbraw/zinc/12/94/78/879129478.db2.gz SFJMYNPKXFHHJN-UHFFFAOYSA-N 1 1 311.357 1.535 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@H]1C ZINC001358057078 880309648 /nfs/dbraw/zinc/30/96/48/880309648.db2.gz HAQALPNFXSKUHY-OLZOCXBDSA-N 1 1 324.429 1.630 20 5 DDBDMO CC(C)OCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001235109764 888415159 /nfs/dbraw/zinc/41/51/59/888415159.db2.gz OGPFECWTENAHSC-UHFFFAOYSA-N 1 1 323.393 1.958 20 5 DDBDMO [NH3+][C@H](Cc1c[nH]cn1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247100865 893105743 /nfs/dbraw/zinc/10/57/43/893105743.db2.gz NGDMRLXIIGTPMZ-MRVPVSSYSA-N 1 1 319.256 1.145 20 5 DDBDMO CSCC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247634040 893270295 /nfs/dbraw/zinc/27/02/95/893270295.db2.gz HRHSELWMJASMKX-SSDOTTSWSA-N 1 1 313.314 1.932 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCOC[C@H](O)C3)CC2)cc1 ZINC001254473573 896456156 /nfs/dbraw/zinc/45/61/56/896456156.db2.gz GAKAXENKYYNZGN-MRXNPFEDSA-N 1 1 321.377 1.257 20 5 DDBDMO O=C1NCC[C@]12CCC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254598326 896525437 /nfs/dbraw/zinc/52/54/37/896525437.db2.gz WHRJMOOUTXTYJI-RDJZCZTQSA-N 1 1 315.373 1.664 20 5 DDBDMO C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCS(=O)(=O)CC1 ZINC001254605070 896528854 /nfs/dbraw/zinc/52/88/54/896528854.db2.gz ZWYGSDCWJWULIC-OAHLLOKOSA-N 1 1 324.402 1.571 20 5 DDBDMO Cc1c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC001263980532 900854052 /nfs/dbraw/zinc/85/40/52/900854052.db2.gz YCHIWWFHESJOCV-FPMFFAJLSA-N 1 1 303.362 1.973 20 5 DDBDMO Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)cc([N+](=O)[O-])c1 ZINC001264010944 900871466 /nfs/dbraw/zinc/87/14/66/900871466.db2.gz QHRXEGHCDZKFKE-SMDDNHRTSA-N 1 1 304.350 1.230 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000248676001 282099015 /nfs/dbraw/zinc/09/90/15/282099015.db2.gz TWCQAYSQYPHLMQ-QWRGUYRKSA-N 1 1 309.370 1.366 20 5 DDBDMO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305452876 231008206 /nfs/dbraw/zinc/00/82/06/231008206.db2.gz RZSRBBZBFMRICC-SWLSCSKDSA-N 1 1 321.377 1.650 20 5 DDBDMO C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305452876 231008208 /nfs/dbraw/zinc/00/82/08/231008208.db2.gz RZSRBBZBFMRICC-SWLSCSKDSA-N 1 1 321.377 1.650 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000451345393 231072703 /nfs/dbraw/zinc/07/27/03/231072703.db2.gz QROGHMBOQHWSSC-MGPQQGTHSA-N 1 1 308.382 1.807 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCSCC2)c1 ZINC000089984440 185274383 /nfs/dbraw/zinc/27/43/83/185274383.db2.gz CELYYVHIBGTSQA-ZDUSSCGKSA-N 1 1 312.391 1.773 20 5 DDBDMO COc1ccc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272834716 210233677 /nfs/dbraw/zinc/23/36/77/210233677.db2.gz FTQBASZHJLIMSP-NSHDSACASA-N 1 1 323.349 1.510 20 5 DDBDMO COC(=O)[C@@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090525102 185300165 /nfs/dbraw/zinc/30/01/65/185300165.db2.gz PQIDZLJHTAFJDT-NSHDSACASA-N 1 1 323.349 1.030 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286746685 219142421 /nfs/dbraw/zinc/14/24/21/219142421.db2.gz FKHDCRIYPOHZAQ-NSHDSACASA-N 1 1 322.365 1.981 20 5 DDBDMO C[C@H]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000330897377 232145314 /nfs/dbraw/zinc/14/53/14/232145314.db2.gz HLLLYKIXJRLJSP-NWDGAFQWSA-N 1 1 307.350 1.573 20 5 DDBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286951623 219241969 /nfs/dbraw/zinc/24/19/69/219241969.db2.gz MRQHCLLDCDXYES-LLVKDONJSA-N 1 1 311.342 1.002 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000617352617 363067236 /nfs/dbraw/zinc/06/72/36/363067236.db2.gz DPBMKORTCROPSF-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(N)=O)CC1 ZINC000021847102 352175044 /nfs/dbraw/zinc/17/50/44/352175044.db2.gz HVYOXLOCOZGBIB-JTQLQIEISA-N 1 1 320.349 1.119 20 5 DDBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000041362543 352304750 /nfs/dbraw/zinc/30/47/50/352304750.db2.gz IEERQKXKVQKNBH-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO COCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000052940483 352633235 /nfs/dbraw/zinc/63/32/35/352633235.db2.gz FETMIQLXWABHQU-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO COCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000052940483 352633238 /nfs/dbraw/zinc/63/32/38/352633238.db2.gz FETMIQLXWABHQU-UHFFFAOYSA-N 1 1 319.361 1.595 20 5 DDBDMO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000053968489 352674372 /nfs/dbraw/zinc/67/43/72/352674372.db2.gz ABDUDTMYONNUPN-HZPDHXFCSA-N 1 1 317.389 1.741 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173181315 198193121 /nfs/dbraw/zinc/19/31/21/198193121.db2.gz JCAYCOCRPXDHAY-ZDUSSCGKSA-N 1 1 303.362 1.738 20 5 DDBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000066808716 353017686 /nfs/dbraw/zinc/01/76/86/353017686.db2.gz AHCHJSBQSSMIKW-UHFFFAOYSA-N 1 1 321.381 1.392 20 5 DDBDMO CN(C)c1[nH+]cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1C ZINC000074276822 353304078 /nfs/dbraw/zinc/30/40/78/353304078.db2.gz HUTNWEFEEOGDPH-UHFFFAOYSA-N 1 1 320.309 1.915 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000075675350 353375450 /nfs/dbraw/zinc/37/54/50/353375450.db2.gz LCKZXHWNLNPITC-ZBFHGGJFSA-N 1 1 316.361 1.642 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000174759723 198380543 /nfs/dbraw/zinc/38/05/43/198380543.db2.gz SBWHBDBACCGKJH-NSHDSACASA-N 1 1 323.397 1.684 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000077555748 353475693 /nfs/dbraw/zinc/47/56/93/353475693.db2.gz MPUMEBHXDNTISZ-ZDUSSCGKSA-N 1 1 321.377 1.964 20 5 DDBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000089930602 353783531 /nfs/dbraw/zinc/78/35/31/353783531.db2.gz XHYRNOWWRRLCJY-ZYHUDNBSSA-N 1 1 307.350 1.287 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000091513456 353828923 /nfs/dbraw/zinc/82/89/23/353828923.db2.gz IWQSRKSNJMYTIE-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000091513456 353828926 /nfs/dbraw/zinc/82/89/26/353828926.db2.gz IWQSRKSNJMYTIE-ZDUSSCGKSA-N 1 1 305.378 1.674 20 5 DDBDMO Cc1sc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833495 354222676 /nfs/dbraw/zinc/22/26/76/354222676.db2.gz WIAREDSNPPBDEK-LDYMZIIASA-N 1 1 313.379 1.414 20 5 DDBDMO Cc1sc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000156833495 354222680 /nfs/dbraw/zinc/22/26/80/354222680.db2.gz WIAREDSNPPBDEK-LDYMZIIASA-N 1 1 313.379 1.414 20 5 DDBDMO COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157630749 354226262 /nfs/dbraw/zinc/22/62/62/354226262.db2.gz HFBKPJABSVGMIS-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000157630749 354226266 /nfs/dbraw/zinc/22/62/66/354226266.db2.gz HFBKPJABSVGMIS-HZMBPMFUSA-N 1 1 323.349 1.052 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000320457843 354527125 /nfs/dbraw/zinc/52/71/25/354527125.db2.gz OTZUZJYNXFUXPE-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000320457843 354527130 /nfs/dbraw/zinc/52/71/30/354527130.db2.gz OTZUZJYNXFUXPE-LBPRGKRZSA-N 1 1 315.377 1.801 20 5 DDBDMO CC(C)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1C ZINC000588032357 354896663 /nfs/dbraw/zinc/89/66/63/354896663.db2.gz WVWFPCXPAMNXHB-CQSZACIVSA-N 1 1 308.382 1.446 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863025 354944405 /nfs/dbraw/zinc/94/44/05/354944405.db2.gz NYGMJSNDNLUBLN-ZIAGYGMSSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1 ZINC000589501231 354997225 /nfs/dbraw/zinc/99/72/25/354997225.db2.gz GMMBCECPNNLSRF-SWLSCSKDSA-N 1 1 322.361 1.974 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)COc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590044136 355042599 /nfs/dbraw/zinc/04/25/99/355042599.db2.gz HGHYQLITGDWLKP-WCQYABFASA-N 1 1 305.334 1.136 20 5 DDBDMO CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000589737651 355017760 /nfs/dbraw/zinc/01/77/60/355017760.db2.gz BQTYIEIQGBTGKX-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000589737651 355017763 /nfs/dbraw/zinc/01/77/63/355017763.db2.gz BQTYIEIQGBTGKX-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO CCOc1cc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000276972768 213210993 /nfs/dbraw/zinc/21/09/93/213210993.db2.gz XFELUBQVIIKZMC-NWDGAFQWSA-N 1 1 312.366 1.557 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590446885 355099510 /nfs/dbraw/zinc/09/95/10/355099510.db2.gz WVSFCDSZUZUFFU-GXTWGEPZSA-N 1 1 319.361 1.526 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000591510743 355322881 /nfs/dbraw/zinc/32/28/81/355322881.db2.gz GADNKSURVSCSTA-WFASDCNBSA-N 1 1 321.377 1.661 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000591510743 355322884 /nfs/dbraw/zinc/32/28/84/355322884.db2.gz GADNKSURVSCSTA-WFASDCNBSA-N 1 1 321.377 1.661 20 5 DDBDMO CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@H]1[NH3+] ZINC000592330547 355560393 /nfs/dbraw/zinc/56/03/93/355560393.db2.gz BZQYOKKRKFFVJL-JOYOIKCWSA-N 1 1 317.349 1.671 20 5 DDBDMO C[C@H]1CC2(C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCOCC2 ZINC000592182738 355527885 /nfs/dbraw/zinc/52/78/85/355527885.db2.gz QZAUSFSTTUEVCZ-GXTWGEPZSA-N 1 1 324.381 1.043 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000593018894 355771456 /nfs/dbraw/zinc/77/14/56/355771456.db2.gz BRLLJQBFZKGJGX-VXGBXAGGSA-N 1 1 321.377 1.906 20 5 DDBDMO CN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000593056960 355782678 /nfs/dbraw/zinc/78/26/78/355782678.db2.gz BYHRPGHXFXGLCU-AWEZNQCLSA-N 1 1 321.352 1.972 20 5 DDBDMO O=[N+]([O-])c1ccccc1/C=C\CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593679840 355964975 /nfs/dbraw/zinc/96/49/75/355964975.db2.gz MWJKRRGYKLRDAX-UYWPIULCSA-N 1 1 303.362 1.359 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(=O)NCC(F)F ZINC000595054371 356377589 /nfs/dbraw/zinc/37/75/89/356377589.db2.gz MGRYNMQBXDSHEG-QMMMGPOBSA-N 1 1 317.292 1.635 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595877532 356688315 /nfs/dbraw/zinc/68/83/15/356688315.db2.gz UYMUJAUPTGUPTE-BLLLJJGKSA-N 1 1 321.377 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595877532 356688316 /nfs/dbraw/zinc/68/83/16/356688316.db2.gz UYMUJAUPTGUPTE-BLLLJJGKSA-N 1 1 321.377 1.792 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1C ZINC000347202613 283207093 /nfs/dbraw/zinc/20/70/93/283207093.db2.gz KTMUWLZPDKJMIW-PWSUYJOCSA-N 1 1 308.334 1.987 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935840 356711768 /nfs/dbraw/zinc/71/17/68/356711768.db2.gz WBIMUMFRVSLZOU-LBPRGKRZSA-N 1 1 321.381 1.478 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596269396 356838984 /nfs/dbraw/zinc/83/89/84/356838984.db2.gz SSNQBQNWZDMISK-UHFFFAOYSA-N 1 1 309.370 1.019 20 5 DDBDMO CCC[N@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000598341580 357544499 /nfs/dbraw/zinc/54/44/99/357544499.db2.gz CVABFNGSDJPNQT-LBPRGKRZSA-N 1 1 306.366 1.607 20 5 DDBDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598652066 357671841 /nfs/dbraw/zinc/67/18/41/357671841.db2.gz WTISVTANRRKVJE-STQMWFEESA-N 1 1 321.377 1.874 20 5 DDBDMO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](CCO)CC1 ZINC000599016217 357794409 /nfs/dbraw/zinc/79/44/09/357794409.db2.gz NNIRYLFNORXWMO-UHFFFAOYSA-N 1 1 302.334 1.257 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599042202 357800674 /nfs/dbraw/zinc/80/06/74/357800674.db2.gz FNRXPZJTTQZTDX-ZDUSSCGKSA-N 1 1 315.377 1.801 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCOCC3)CC2)c(F)c1 ZINC000599104786 357816987 /nfs/dbraw/zinc/81/69/87/357816987.db2.gz NWCQXMXJDHCIMX-UHFFFAOYSA-N 1 1 310.329 1.430 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599552235 357971221 /nfs/dbraw/zinc/97/12/21/357971221.db2.gz YRRQYGYJTZSDGV-LLVKDONJSA-N 1 1 304.297 1.273 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000180700075 199199083 /nfs/dbraw/zinc/19/90/83/199199083.db2.gz GEMOSGFIZZIGHO-CYBMUJFWSA-N 1 1 307.350 1.358 20 5 DDBDMO C[C@@H]1CN(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000601111856 358406128 /nfs/dbraw/zinc/40/61/28/358406128.db2.gz YLYYQZROCSJDQZ-GFCCVEGCSA-N 1 1 316.361 1.698 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@]3(O)CCSC3)c2c1 ZINC000601123823 358411268 /nfs/dbraw/zinc/41/12/68/358411268.db2.gz LCAFPCPFLSAVFA-AWEZNQCLSA-N 1 1 305.359 1.845 20 5 DDBDMO O=C1CC[C@@H]2CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)CCN12 ZINC000601136730 358417031 /nfs/dbraw/zinc/41/70/31/358417031.db2.gz WNCDJDQERPKUDS-GFCCVEGCSA-N 1 1 312.329 1.954 20 5 DDBDMO Cc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000565579965 304077217 /nfs/dbraw/zinc/07/72/17/304077217.db2.gz OXGREKMDVBFPGM-CHWSQXEVSA-N 1 1 321.381 1.749 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000601959803 358753715 /nfs/dbraw/zinc/75/37/15/358753715.db2.gz SHEDPSGHNMJXLX-OAHLLOKOSA-N 1 1 302.334 1.428 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602546373 359038555 /nfs/dbraw/zinc/03/85/55/359038555.db2.gz QZWBHDOAZRWIMO-LBPRGKRZSA-N 1 1 319.365 1.071 20 5 DDBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183233 /nfs/dbraw/zinc/18/32/33/359183233.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 1 1 307.398 1.658 20 5 DDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183237 /nfs/dbraw/zinc/18/32/37/359183237.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 1 1 307.398 1.658 20 5 DDBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777232 359183242 /nfs/dbraw/zinc/18/32/42/359183242.db2.gz CIZGGEMMSJMEAD-KGLIPLIRSA-N 1 1 307.398 1.658 20 5 DDBDMO Cn1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707132 359137228 /nfs/dbraw/zinc/13/72/28/359137228.db2.gz CPDGQFNVZLCKQI-CQSZACIVSA-N 1 1 323.397 1.015 20 5 DDBDMO Cn1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602707132 359137233 /nfs/dbraw/zinc/13/72/33/359137233.db2.gz CPDGQFNVZLCKQI-CQSZACIVSA-N 1 1 323.397 1.015 20 5 DDBDMO Cn1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431403 359636658 /nfs/dbraw/zinc/63/66/58/359636658.db2.gz WTRWYUQXPPVKMW-YUTCNCBUSA-N 1 1 323.397 1.047 20 5 DDBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000281062394 216053584 /nfs/dbraw/zinc/05/35/84/216053584.db2.gz KDJQBMTXJZSTDR-OAHLLOKOSA-N 1 1 307.350 1.432 20 5 DDBDMO C[N@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609619849 360335995 /nfs/dbraw/zinc/33/59/95/360335995.db2.gz MOZDGTWNYXXADL-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CN1CCC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609619849 360335999 /nfs/dbraw/zinc/33/59/99/360335999.db2.gz MOZDGTWNYXXADL-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CN1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609619849 360336003 /nfs/dbraw/zinc/33/60/03/360336003.db2.gz MOZDGTWNYXXADL-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000609479007 360311695 /nfs/dbraw/zinc/31/16/95/360311695.db2.gz HJXOLPJPVPIJDT-SNVBAGLBSA-N 1 1 307.354 1.094 20 5 DDBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610244742 360396702 /nfs/dbraw/zinc/39/67/02/360396702.db2.gz NBXOUQUBMOAVHP-GFCCVEGCSA-N 1 1 308.382 1.880 20 5 DDBDMO CN(C(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000610447569 360438378 /nfs/dbraw/zinc/43/83/78/360438378.db2.gz CIBYWKQCMDTQJP-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO CN(C(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000610447569 360438382 /nfs/dbraw/zinc/43/83/82/360438382.db2.gz CIBYWKQCMDTQJP-UHFFFAOYSA-N 1 1 323.397 1.514 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610504986 360455662 /nfs/dbraw/zinc/45/56/62/360455662.db2.gz PSJITOCUXNSNOU-CABCVRRESA-N 1 1 320.324 1.738 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610504986 360455668 /nfs/dbraw/zinc/45/56/68/360455668.db2.gz PSJITOCUXNSNOU-CABCVRRESA-N 1 1 320.324 1.738 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000611088055 360618518 /nfs/dbraw/zinc/61/85/18/360618518.db2.gz AQCFRFFLOIEQKD-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000611088055 360618521 /nfs/dbraw/zinc/61/85/21/360618521.db2.gz AQCFRFFLOIEQKD-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@H+]1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000611091739 360620154 /nfs/dbraw/zinc/62/01/54/360620154.db2.gz FMXSVGPNSDCTHW-ZDUSSCGKSA-N 1 1 320.393 1.868 20 5 DDBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO1 ZINC000611253853 360681476 /nfs/dbraw/zinc/68/14/76/360681476.db2.gz XNSYMTMFXAMKRQ-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCCO1 ZINC000611253853 360681479 /nfs/dbraw/zinc/68/14/79/360681479.db2.gz XNSYMTMFXAMKRQ-LBPRGKRZSA-N 1 1 308.334 1.977 20 5 DDBDMO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000611209195 360660271 /nfs/dbraw/zinc/66/02/71/360660271.db2.gz DIUAJUZZEVHTJT-UHFFFAOYSA-N 1 1 318.333 1.292 20 5 DDBDMO COc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000611209195 360660272 /nfs/dbraw/zinc/66/02/72/360660272.db2.gz DIUAJUZZEVHTJT-UHFFFAOYSA-N 1 1 318.333 1.292 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000611349074 360703340 /nfs/dbraw/zinc/70/33/40/360703340.db2.gz VFWVWZNAQOYFHO-AWEZNQCLSA-N 1 1 309.341 1.640 20 5 DDBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619574255 364067833 /nfs/dbraw/zinc/06/78/33/364067833.db2.gz LKWHLJZCHSUKJP-WDEREUQCSA-N 1 1 313.354 1.915 20 5 DDBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000619873376 364170631 /nfs/dbraw/zinc/17/06/31/364170631.db2.gz HZTNLJFSUYBHKT-CQSZACIVSA-N 1 1 318.377 1.023 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000271763062 209192453 /nfs/dbraw/zinc/19/24/53/209192453.db2.gz PFPYHVIJNFOAMJ-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO CC(C)(C(=O)NCC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000275167361 212164787 /nfs/dbraw/zinc/16/47/87/212164787.db2.gz RJRGYAQNHVYJNU-UHFFFAOYSA-N 1 1 301.293 1.583 20 5 DDBDMO C[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264668541 204067342 /nfs/dbraw/zinc/06/73/42/204067342.db2.gz LDIQZHJEMARMMN-SNVBAGLBSA-N 1 1 311.313 1.181 20 5 DDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000264662897 204062929 /nfs/dbraw/zinc/06/29/29/204062929.db2.gz WFDFOSDFABNHAM-UHFFFAOYSA-N 1 1 320.393 1.304 20 5 DDBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264731183 204111394 /nfs/dbraw/zinc/11/13/94/204111394.db2.gz IYRXYMWVFITABX-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@H+](C)[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264731183 204111404 /nfs/dbraw/zinc/11/14/04/204111404.db2.gz IYRXYMWVFITABX-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264731183 204111409 /nfs/dbraw/zinc/11/14/09/204111409.db2.gz IYRXYMWVFITABX-CQSZACIVSA-N 1 1 315.377 1.801 20 5 DDBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000264956129 204300301 /nfs/dbraw/zinc/30/03/01/204300301.db2.gz YSWSUELVBOJRJJ-LBPRGKRZSA-N 1 1 306.366 1.485 20 5 DDBDMO Cc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc([N+](=O)[O-])c1 ZINC000265093108 204390300 /nfs/dbraw/zinc/39/03/00/204390300.db2.gz DFOCQMSASGOEOH-UHFFFAOYSA-N 1 1 317.349 1.633 20 5 DDBDMO CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000288333729 220090706 /nfs/dbraw/zinc/09/07/06/220090706.db2.gz IMGRSZJNGZKJJN-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000288333729 220090708 /nfs/dbraw/zinc/09/07/08/220090708.db2.gz IMGRSZJNGZKJJN-SECBINFHSA-N 1 1 310.329 1.482 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCSCC2)c1 ZINC000266167297 205153277 /nfs/dbraw/zinc/15/32/77/205153277.db2.gz VGHXDLPAKPKPGF-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO C[N@@H+](C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000351543670 284369929 /nfs/dbraw/zinc/36/99/29/284369929.db2.gz SVCSBLYRIFPCGE-INIZCTEOSA-N 1 1 305.378 1.408 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000109621886 194277700 /nfs/dbraw/zinc/27/77/00/194277700.db2.gz KGKLFZGOYFPNKQ-LLVKDONJSA-N 1 1 321.381 1.581 20 5 DDBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000109849696 194293671 /nfs/dbraw/zinc/29/36/71/194293671.db2.gz BGWMDYGRGUEWBB-NSHDSACASA-N 1 1 318.377 1.851 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340907090 251269186 /nfs/dbraw/zinc/26/91/86/251269186.db2.gz LEQGREUCZROMJL-YPMHNXCESA-N 1 1 307.350 1.687 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCSC1 ZINC000119892202 195057364 /nfs/dbraw/zinc/05/73/64/195057364.db2.gz DFWLCNYVMOKLCN-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCSC1 ZINC000119892202 195057366 /nfs/dbraw/zinc/05/73/66/195057366.db2.gz DFWLCNYVMOKLCN-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO COc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331520065 533392226 /nfs/dbraw/zinc/39/22/26/533392226.db2.gz NVPNIHAVQHHCIW-GWCFXTLKSA-N 1 1 319.361 1.816 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292053778 286381354 /nfs/dbraw/zinc/38/13/54/286381354.db2.gz AEOWKPKPEGDIFX-MRXNPFEDSA-N 1 1 319.361 1.771 20 5 DDBDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000066620646 407255270 /nfs/dbraw/zinc/25/52/70/407255270.db2.gz YKNINSQZFUPKNX-LLVKDONJSA-N 1 1 318.377 1.700 20 5 DDBDMO CNC(=O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000111263946 407404110 /nfs/dbraw/zinc/40/41/10/407404110.db2.gz CDXXZQWHLZNYHW-LBPRGKRZSA-N 1 1 307.350 1.432 20 5 DDBDMO CC[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000271005829 407462795 /nfs/dbraw/zinc/46/27/95/407462795.db2.gz ZEZYSRVSKDWVEW-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000271005829 407462800 /nfs/dbraw/zinc/46/28/00/407462800.db2.gz ZEZYSRVSKDWVEW-ABAIWWIYSA-N 1 1 319.361 1.187 20 5 DDBDMO CC[N@H+](CCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000266547358 407554702 /nfs/dbraw/zinc/55/47/02/407554702.db2.gz JZJPXNZVYSGWIF-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO CC[N@@H+](CCCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000266547358 407554710 /nfs/dbraw/zinc/55/47/10/407554710.db2.gz JZJPXNZVYSGWIF-UHFFFAOYSA-N 1 1 306.322 1.849 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000266326253 407536208 /nfs/dbraw/zinc/53/62/08/407536208.db2.gz GGUIRBWWCXXQEK-VXGBXAGGSA-N 1 1 309.366 1.495 20 5 DDBDMO CN(C(=O)C[N@@H+](C)C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178780584 407599213 /nfs/dbraw/zinc/59/92/13/407599213.db2.gz QDFURPBXJMESBZ-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152615136 407661074 /nfs/dbraw/zinc/66/10/74/407661074.db2.gz OLIPCNNFLYFPHV-LLVKDONJSA-N 1 1 309.341 1.687 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129180659 407595733 /nfs/dbraw/zinc/59/57/33/407595733.db2.gz FDKQNZHKYSJMJK-HNNXBMFYSA-N 1 1 305.378 1.749 20 5 DDBDMO O=[N+]([O-])c1cccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129180659 407595736 /nfs/dbraw/zinc/59/57/36/407595736.db2.gz FDKQNZHKYSJMJK-HNNXBMFYSA-N 1 1 305.378 1.749 20 5 DDBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cnccn1 ZINC000271401428 407669890 /nfs/dbraw/zinc/66/98/90/407669890.db2.gz XDOWOYRURJCESZ-UHFFFAOYSA-N 1 1 302.334 1.938 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000115436473 407681937 /nfs/dbraw/zinc/68/19/37/407681937.db2.gz MPUZIVRAPKGMKM-ZDUSSCGKSA-N 1 1 321.377 1.774 20 5 DDBDMO NC(=O)c1ccc(N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831411 407778284 /nfs/dbraw/zinc/77/82/84/407778284.db2.gz BJEZHKOAKRAZCD-UHFFFAOYSA-N 1 1 304.350 1.368 20 5 DDBDMO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272164025 407801426 /nfs/dbraw/zinc/80/14/26/407801426.db2.gz ZSCCFCXYDDADKB-CHWSQXEVSA-N 1 1 321.377 1.740 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153605310 407860304 /nfs/dbraw/zinc/86/03/04/407860304.db2.gz AWLGLJXJMURAHC-HOCLYGCPSA-N 1 1 322.361 1.447 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1C1CC1 ZINC000133592642 407863624 /nfs/dbraw/zinc/86/36/24/407863624.db2.gz BIXNSZRZIVMUNB-DTWKUNHWSA-N 1 1 306.322 1.050 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000154036105 407959528 /nfs/dbraw/zinc/95/95/28/407959528.db2.gz NRWLGPBNAVNRBQ-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCSC1 ZINC000154036105 407959531 /nfs/dbraw/zinc/95/95/31/407959531.db2.gz NRWLGPBNAVNRBQ-CYBMUJFWSA-N 1 1 321.402 1.921 20 5 DDBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181185951 407960858 /nfs/dbraw/zinc/96/08/58/407960858.db2.gz BESGJGFMPCGNPP-LBPRGKRZSA-N 1 1 320.393 1.885 20 5 DDBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000245419091 407971495 /nfs/dbraw/zinc/97/14/95/407971495.db2.gz GWEXASAPDQAIKV-UHOFOFEASA-N 1 1 316.361 1.845 20 5 DDBDMO COc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272544360 407976039 /nfs/dbraw/zinc/97/60/39/407976039.db2.gz CJDIWVPGXCXKDV-BXUZGUMPSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000268158906 407920635 /nfs/dbraw/zinc/92/06/35/407920635.db2.gz HNJFNEJZLORCAO-PRHODGIISA-N 1 1 322.340 1.529 20 5 DDBDMO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189465456 408025531 /nfs/dbraw/zinc/02/55/31/408025531.db2.gz ZQRISUIKUDBWHW-RYUDHWBXSA-N 1 1 322.283 1.873 20 5 DDBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189465456 408025535 /nfs/dbraw/zinc/02/55/35/408025535.db2.gz ZQRISUIKUDBWHW-RYUDHWBXSA-N 1 1 322.283 1.873 20 5 DDBDMO COC(=O)c1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174818203 407996194 /nfs/dbraw/zinc/99/61/94/407996194.db2.gz OVWBOAJZXYWMRZ-UHFFFAOYSA-N 1 1 318.333 1.710 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000182472380 408171748 /nfs/dbraw/zinc/17/17/48/408171748.db2.gz AIGNUCMCBSSGLY-MHEUCROKSA-N 1 1 308.382 1.663 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284685 408252923 /nfs/dbraw/zinc/25/29/23/408252923.db2.gz MXPBYTSBNKWDRY-KGLIPLIRSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284685 408252928 /nfs/dbraw/zinc/25/29/28/408252928.db2.gz MXPBYTSBNKWDRY-KGLIPLIRSA-N 1 1 305.334 1.657 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269284685 408252932 /nfs/dbraw/zinc/25/29/32/408252932.db2.gz MXPBYTSBNKWDRY-KGLIPLIRSA-N 1 1 305.334 1.657 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121481530 408221207 /nfs/dbraw/zinc/22/12/07/408221207.db2.gz RTIFJYHIIYZQET-UHFFFAOYSA-N 1 1 322.365 1.218 20 5 DDBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246479670 408267135 /nfs/dbraw/zinc/26/71/35/408267135.db2.gz PJIQFBCQLYHMJI-AAEUAGOBSA-N 1 1 320.393 1.979 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CCN(C)CC1 ZINC000183210432 408354561 /nfs/dbraw/zinc/35/45/61/408354561.db2.gz ZCNKRZJFIZCJDC-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CCN(C)CC1 ZINC000183210432 408354567 /nfs/dbraw/zinc/35/45/67/408354567.db2.gz ZCNKRZJFIZCJDC-UHFFFAOYSA-N 1 1 307.394 1.792 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274543565 408445898 /nfs/dbraw/zinc/44/58/98/408445898.db2.gz UUUKGIOXRAHXEU-QMTHXVAHSA-N 1 1 306.366 1.589 20 5 DDBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000264422585 408484236 /nfs/dbraw/zinc/48/42/36/408484236.db2.gz RJGMASGNSVJNIF-MRXNPFEDSA-N 1 1 304.394 1.811 20 5 DDBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1C ZINC000274660460 408485368 /nfs/dbraw/zinc/48/53/68/408485368.db2.gz YSMGRNGSUQXUFB-WDEREUQCSA-N 1 1 306.366 1.732 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000176969475 408487459 /nfs/dbraw/zinc/48/74/59/408487459.db2.gz VRQWHMARDLKRGF-NSHDSACASA-N 1 1 306.366 1.591 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000264483720 408508870 /nfs/dbraw/zinc/50/88/70/408508870.db2.gz IFZBUTRPJZUCBB-LBPRGKRZSA-N 1 1 307.350 1.354 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000161338415 408590193 /nfs/dbraw/zinc/59/01/93/408590193.db2.gz SLOBQXYPNJDLHK-JQWIXIFHSA-N 1 1 323.397 1.729 20 5 DDBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCC[C@@H](C)C1 ZINC000162085609 408669436 /nfs/dbraw/zinc/66/94/36/408669436.db2.gz DGUGWEBIWSYPPM-MNOVXSKESA-N 1 1 309.370 1.179 20 5 DDBDMO Cc1cc(C)c(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000193312548 408710585 /nfs/dbraw/zinc/71/05/85/408710585.db2.gz QOVJLCHRYHPNOW-UHFFFAOYSA-N 1 1 323.321 1.084 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249558772 408743985 /nfs/dbraw/zinc/74/39/85/408743985.db2.gz KVSLQAPEGLWDSI-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249558772 408743989 /nfs/dbraw/zinc/74/39/89/408743989.db2.gz KVSLQAPEGLWDSI-GYSYKLTISA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251714139 408785874 /nfs/dbraw/zinc/78/58/74/408785874.db2.gz KVAYODZSJMPBNN-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251714139 408785877 /nfs/dbraw/zinc/78/58/77/408785877.db2.gz KVAYODZSJMPBNN-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO CCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001152 408755306 /nfs/dbraw/zinc/75/53/06/408755306.db2.gz BQXDVDZVXPOLJA-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001152 408755311 /nfs/dbraw/zinc/75/53/11/408755311.db2.gz BQXDVDZVXPOLJA-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO CCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000178001152 408755314 /nfs/dbraw/zinc/75/53/14/408755314.db2.gz BQXDVDZVXPOLJA-PWSUYJOCSA-N 1 1 321.381 1.437 20 5 DDBDMO Cc1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000285628909 408832498 /nfs/dbraw/zinc/83/24/98/408832498.db2.gz DWTWENZGNXLTMU-CABCVRRESA-N 1 1 319.361 1.448 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000276309852 408833259 /nfs/dbraw/zinc/83/32/59/408833259.db2.gz OFYNUDMOKQMMHB-ZIAGYGMSSA-N 1 1 304.350 1.534 20 5 DDBDMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285655663 408837367 /nfs/dbraw/zinc/83/73/67/408837367.db2.gz YQYXLFDMYXELOX-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285655663 408837368 /nfs/dbraw/zinc/83/73/68/408837368.db2.gz YQYXLFDMYXELOX-UHFFFAOYSA-N 1 1 313.741 1.643 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276501253 408871769 /nfs/dbraw/zinc/87/17/69/408871769.db2.gz JMWODCZBGYTLRB-XPTSAGLGSA-N 1 1 304.350 1.390 20 5 DDBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000281674567 408906952 /nfs/dbraw/zinc/90/69/52/408906952.db2.gz LWIYKCOUAJRHLT-HZSPNIEDSA-N 1 1 324.377 1.834 20 5 DDBDMO COC(=O)c1cc(C)nc(NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000286118578 408926941 /nfs/dbraw/zinc/92/69/41/408926941.db2.gz FCVFGRYKGQRGSQ-UHFFFAOYSA-N 1 1 320.349 1.759 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277398214 408932837 /nfs/dbraw/zinc/93/28/37/408932837.db2.gz BDSAUYFMYHYCIM-GFCCVEGCSA-N 1 1 321.381 1.383 20 5 DDBDMO CCCN(CC[NH+]1CCCCC1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286280861 408955178 /nfs/dbraw/zinc/95/51/78/408955178.db2.gz RFNPRCKBYCJTIF-UHFFFAOYSA-N 1 1 323.397 1.964 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000287549763 409054191 /nfs/dbraw/zinc/05/41/91/409054191.db2.gz WGCFISWEVPXTKZ-CYBMUJFWSA-N 1 1 306.366 1.455 20 5 DDBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000287549763 409054194 /nfs/dbraw/zinc/05/41/94/409054194.db2.gz WGCFISWEVPXTKZ-CYBMUJFWSA-N 1 1 306.366 1.455 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000293327964 409090489 /nfs/dbraw/zinc/09/04/89/409090489.db2.gz IWNZLWPGLPHUML-NXEZZACHSA-N 1 1 307.354 1.094 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@H]2C1 ZINC000279156394 409160416 /nfs/dbraw/zinc/16/04/16/409160416.db2.gz FGCURTZZBGOCLG-TXEJJXNPSA-N 1 1 315.329 1.975 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573617 409364376 /nfs/dbraw/zinc/36/43/76/409364376.db2.gz VRLHBEPQIHYMIO-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO C[C@H]1OCC[C@]12C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280573617 409364380 /nfs/dbraw/zinc/36/43/80/409364380.db2.gz VRLHBEPQIHYMIO-CJNGLKHVSA-N 1 1 322.361 1.853 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000296105832 409432041 /nfs/dbraw/zinc/43/20/41/409432041.db2.gz GYIPOHRGZYPOGJ-JTQLQIEISA-N 1 1 308.338 1.677 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290575620 409449346 /nfs/dbraw/zinc/44/93/46/409449346.db2.gz UZNYAZYOIGUGDC-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C[N@@H+]1C ZINC000408144233 164241963 /nfs/dbraw/zinc/24/19/63/164241963.db2.gz HNHNOXLHBMRBGU-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)C[N@H+]1C ZINC000408144233 164241965 /nfs/dbraw/zinc/24/19/65/164241965.db2.gz HNHNOXLHBMRBGU-ZJUUUORDSA-N 1 1 321.333 1.488 20 5 DDBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000354007556 409596248 /nfs/dbraw/zinc/59/62/48/409596248.db2.gz QNFNCIDYEPSWPI-LLVKDONJSA-N 1 1 323.397 1.351 20 5 DDBDMO COc1cc(C(=O)NCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000338122570 409732284 /nfs/dbraw/zinc/73/22/84/409732284.db2.gz ZXSLRXVKPDOBOK-UHFFFAOYSA-N 1 1 304.306 1.538 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC([NH+](C)C)C2)c1C ZINC000332047086 409835592 /nfs/dbraw/zinc/83/55/92/409835592.db2.gz ZDJKYOYSOJLNTR-UHFFFAOYSA-N 1 1 313.379 1.146 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000346185040 409850426 /nfs/dbraw/zinc/85/04/26/409850426.db2.gz GNBHNVMYNZQDTE-QWHCGFSZSA-N 1 1 308.382 1.171 20 5 DDBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000338434503 409987296 /nfs/dbraw/zinc/98/72/96/409987296.db2.gz DFCDDBVDXLFVIN-UHFFFAOYSA-N 1 1 307.350 1.818 20 5 DDBDMO CNS(=O)(=O)CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344303 409926882 /nfs/dbraw/zinc/92/68/82/409926882.db2.gz AEWFTEVJGSTKIF-UHFFFAOYSA-N 1 1 315.395 1.008 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000350893560 410009421 /nfs/dbraw/zinc/00/94/21/410009421.db2.gz WZKCTRRKCPKYDU-MRVPVSSYSA-N 1 1 324.366 1.316 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000350893560 410009426 /nfs/dbraw/zinc/00/94/26/410009426.db2.gz WZKCTRRKCPKYDU-MRVPVSSYSA-N 1 1 324.366 1.316 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346609484 410034556 /nfs/dbraw/zinc/03/45/56/410034556.db2.gz CZPGRZWINQMHCX-RISCZKNCSA-N 1 1 308.334 1.857 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H](C)C1 ZINC000332351240 410085643 /nfs/dbraw/zinc/08/56/43/410085643.db2.gz PJTGIVKPGZMIMR-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC[C@H](C)C1 ZINC000332351240 410085648 /nfs/dbraw/zinc/08/56/48/410085648.db2.gz PJTGIVKPGZMIMR-VXGBXAGGSA-N 1 1 307.350 1.890 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091613 410107271 /nfs/dbraw/zinc/10/72/71/410107271.db2.gz RZYJRFAKINTBDQ-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000298091613 410107278 /nfs/dbraw/zinc/10/72/78/410107278.db2.gz RZYJRFAKINTBDQ-STQMWFEESA-N 1 1 321.377 1.935 20 5 DDBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357916703 410325056 /nfs/dbraw/zinc/32/50/56/410325056.db2.gz WSEVJZYYJYOOAN-LBPRGKRZSA-N 1 1 323.397 1.713 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351934581 410349680 /nfs/dbraw/zinc/34/96/80/410349680.db2.gz IMWYPIVTIAYWBR-IINYFYTJSA-N 1 1 307.350 1.544 20 5 DDBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000298776305 410393845 /nfs/dbraw/zinc/39/38/45/410393845.db2.gz DCVSZQLNBCNSEK-NSHDSACASA-N 1 1 321.333 1.418 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC[N@H+]1C ZINC000343437281 410450329 /nfs/dbraw/zinc/45/03/29/410450329.db2.gz KYKOCKJMZVDLRB-QMTHXVAHSA-N 1 1 309.341 1.875 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000339778641 410456333 /nfs/dbraw/zinc/45/63/33/410456333.db2.gz FIKUKUKGBSPLAF-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000339778641 410456338 /nfs/dbraw/zinc/45/63/38/410456338.db2.gz FIKUKUKGBSPLAF-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000355373633 410476017 /nfs/dbraw/zinc/47/60/17/410476017.db2.gz ULJOLMVAHWISJQ-CABCVRRESA-N 1 1 319.361 1.530 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343472002 410476324 /nfs/dbraw/zinc/47/63/24/410476324.db2.gz ZGDWPQBAXGHDIO-CHWSQXEVSA-N 1 1 320.393 1.630 20 5 DDBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352186864 410534730 /nfs/dbraw/zinc/53/47/30/410534730.db2.gz OJQDLPLIFVPMMG-KBPBESRZSA-N 1 1 310.350 1.445 20 5 DDBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339953020 410572380 /nfs/dbraw/zinc/57/23/80/410572380.db2.gz MQVOTKDXQMPIBH-RYUDHWBXSA-N 1 1 318.377 1.993 20 5 DDBDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352223251 410557377 /nfs/dbraw/zinc/55/73/77/410557377.db2.gz UOVPLNZKEQXFJA-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352223251 410557382 /nfs/dbraw/zinc/55/73/82/410557382.db2.gz UOVPLNZKEQXFJA-JTQLQIEISA-N 1 1 311.338 1.245 20 5 DDBDMO CCOc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000579935188 422859139 /nfs/dbraw/zinc/85/91/39/422859139.db2.gz PYMQBFCQTDSNTL-GJZGRUSLSA-N 1 1 321.377 1.903 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000340168602 410721520 /nfs/dbraw/zinc/72/15/20/410721520.db2.gz SWJKQYHOQIVWLN-MGPQQGTHSA-N 1 1 324.377 1.752 20 5 DDBDMO CC(C)[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761723 410678823 /nfs/dbraw/zinc/67/88/23/410678823.db2.gz SVXYYAOUBPXEOD-XJKSGUPXSA-N 1 1 324.377 1.691 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000343761723 410678826 /nfs/dbraw/zinc/67/88/26/410678826.db2.gz SVXYYAOUBPXEOD-XJKSGUPXSA-N 1 1 324.377 1.691 20 5 DDBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478270 410814343 /nfs/dbraw/zinc/81/43/43/410814343.db2.gz UFCUVYKRIREALX-VXGBXAGGSA-N 1 1 307.350 1.626 20 5 DDBDMO COC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478260 410814669 /nfs/dbraw/zinc/81/46/69/410814669.db2.gz UEOSBYOELGRFCG-SNVBAGLBSA-N 1 1 309.322 1.417 20 5 DDBDMO COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337478260 410814676 /nfs/dbraw/zinc/81/46/76/410814676.db2.gz UEOSBYOELGRFCG-SNVBAGLBSA-N 1 1 309.322 1.417 20 5 DDBDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000348288524 410900293 /nfs/dbraw/zinc/90/02/93/410900293.db2.gz WMCXNNYDUBSTDS-FBIMIBRVSA-N 1 1 322.287 1.425 20 5 DDBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000359947546 410964837 /nfs/dbraw/zinc/96/48/37/410964837.db2.gz BSOFMWVIXBKDJG-SNVBAGLBSA-N 1 1 308.338 1.300 20 5 DDBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000331289826 411060594 /nfs/dbraw/zinc/06/05/94/411060594.db2.gz JKIVNEPSAIPXTK-UHFFFAOYSA-N 1 1 309.370 1.180 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000331208544 411016608 /nfs/dbraw/zinc/01/66/08/411016608.db2.gz PVKWYRCXJZNDRV-NSHDSACASA-N 1 1 309.370 1.225 20 5 DDBDMO C[C@@H]1C[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000344215506 411032263 /nfs/dbraw/zinc/03/22/63/411032263.db2.gz KVGSQMLKHXEROH-ZJUUUORDSA-N 1 1 317.349 2.140 20 5 DDBDMO C[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131921168 196209925 /nfs/dbraw/zinc/20/99/25/196209925.db2.gz VGOXDEZXWDYMIA-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131921168 196209926 /nfs/dbraw/zinc/20/99/26/196209926.db2.gz VGOXDEZXWDYMIA-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366548313 418488436 /nfs/dbraw/zinc/48/84/36/418488436.db2.gz ZTXOZHCLWVQWHQ-CQSZACIVSA-N 1 1 321.377 1.380 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374850402 418568826 /nfs/dbraw/zinc/56/88/26/418568826.db2.gz LOZRRATYLGWPCI-UHFFFAOYSA-N 1 1 324.356 1.874 20 5 DDBDMO O=C(CC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367849068 418645542 /nfs/dbraw/zinc/64/55/42/418645542.db2.gz LDLSXUFFZUUVSD-WDNDVIMCSA-N 1 1 305.334 1.094 20 5 DDBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000367888856 418652949 /nfs/dbraw/zinc/65/29/49/418652949.db2.gz ZDBQZLCPIQNPTP-LLVKDONJSA-N 1 1 318.377 1.924 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000375668207 418670787 /nfs/dbraw/zinc/67/07/87/418670787.db2.gz DNOMXMNIDZOPBW-KKUMJFAQSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000375668207 418670789 /nfs/dbraw/zinc/67/07/89/418670789.db2.gz DNOMXMNIDZOPBW-KKUMJFAQSA-N 1 1 303.362 1.290 20 5 DDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000375668207 418670792 /nfs/dbraw/zinc/67/07/92/418670792.db2.gz DNOMXMNIDZOPBW-KKUMJFAQSA-N 1 1 303.362 1.290 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(NCc3c[nH+]c4n3CCCC4)nn21 ZINC000376490156 418698099 /nfs/dbraw/zinc/69/80/99/418698099.db2.gz YAGZPZRBRPYXNN-UHFFFAOYSA-N 1 1 313.321 1.782 20 5 DDBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372470063 418873579 /nfs/dbraw/zinc/87/35/79/418873579.db2.gz CZNCTTYBUZLTBH-WDEREUQCSA-N 1 1 305.334 1.657 20 5 DDBDMO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000411174676 418877055 /nfs/dbraw/zinc/87/70/55/418877055.db2.gz CIWUWKOYNDAMNX-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC ZINC000411174676 418877058 /nfs/dbraw/zinc/87/70/58/418877058.db2.gz CIWUWKOYNDAMNX-UHFFFAOYSA-N 1 1 323.349 1.808 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344352 418893971 /nfs/dbraw/zinc/89/39/71/418893971.db2.gz JDFDCYLZUQBWII-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411344352 418893972 /nfs/dbraw/zinc/89/39/72/418893972.db2.gz JDFDCYLZUQBWII-BXUZGUMPSA-N 1 1 323.349 1.005 20 5 DDBDMO COCC[C@@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000365846813 418915660 /nfs/dbraw/zinc/91/56/60/418915660.db2.gz KNWAHHBYHYKQOR-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO COCC[C@@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000365846813 418915661 /nfs/dbraw/zinc/91/56/61/418915661.db2.gz KNWAHHBYHYKQOR-CQSZACIVSA-N 1 1 310.350 1.711 20 5 DDBDMO CNC(=O)[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420975176 419397511 /nfs/dbraw/zinc/39/75/11/419397511.db2.gz NUVULYASXZUUSE-NSHDSACASA-N 1 1 323.349 1.050 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913824 419365703 /nfs/dbraw/zinc/36/57/03/419365703.db2.gz GPXRHUQXQLSGAW-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913824 419365705 /nfs/dbraw/zinc/36/57/05/419365705.db2.gz GPXRHUQXQLSGAW-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420948118 419375880 /nfs/dbraw/zinc/37/58/80/419375880.db2.gz VJWNIIKPZQWSPE-NFAWXSAZSA-N 1 1 324.377 1.285 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CCO ZINC000426272486 419425987 /nfs/dbraw/zinc/42/59/87/419425987.db2.gz XJIPQPBTBYZEDS-LLVKDONJSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000426272486 419425995 /nfs/dbraw/zinc/42/59/95/419425995.db2.gz XJIPQPBTBYZEDS-LLVKDONJSA-N 1 1 323.349 1.389 20 5 DDBDMO COc1ccc(OCC[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000421018713 419454166 /nfs/dbraw/zinc/45/41/66/419454166.db2.gz LPUUIEKKDYALOF-OAHLLOKOSA-N 1 1 308.334 1.847 20 5 DDBDMO COc1ccc(OCC[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])c1 ZINC000421018713 419454174 /nfs/dbraw/zinc/45/41/74/419454174.db2.gz LPUUIEKKDYALOF-OAHLLOKOSA-N 1 1 308.334 1.847 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000421706856 419692760 /nfs/dbraw/zinc/69/27/60/419692760.db2.gz VYWZMLRPSXHEID-ZDUSSCGKSA-N 1 1 320.393 1.949 20 5 DDBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000421710852 419696361 /nfs/dbraw/zinc/69/63/61/419696361.db2.gz MPYIWBCGLGVTPM-NSHDSACASA-N 1 1 321.333 1.490 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000427819708 419740308 /nfs/dbraw/zinc/74/03/08/419740308.db2.gz RIRUSQHUCQVIJE-SNVBAGLBSA-N 1 1 320.353 1.382 20 5 DDBDMO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428010767 419787848 /nfs/dbraw/zinc/78/78/48/419787848.db2.gz MYCUINJYHJANJB-GFCCVEGCSA-N 1 1 323.349 1.141 20 5 DDBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428010767 419787855 /nfs/dbraw/zinc/78/78/55/419787855.db2.gz MYCUINJYHJANJB-GFCCVEGCSA-N 1 1 323.349 1.141 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429115374 419971839 /nfs/dbraw/zinc/97/18/39/419971839.db2.gz ODOFYSSOUUSZLX-RWMBFGLXSA-N 1 1 310.350 1.180 20 5 DDBDMO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+](C2CCC2)C1 ZINC000429404342 420013861 /nfs/dbraw/zinc/01/38/61/420013861.db2.gz QDLBKENHKLSLEJ-LBPRGKRZSA-N 1 1 307.398 1.635 20 5 DDBDMO [NH3+]CC(F)(F)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423333339 420016827 /nfs/dbraw/zinc/01/68/27/420016827.db2.gz FDVAOWYQRGWDCH-ZJUUUORDSA-N 1 1 303.313 1.459 20 5 DDBDMO [NH3+]CC(F)(F)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423333337 420016883 /nfs/dbraw/zinc/01/68/83/420016883.db2.gz FDVAOWYQRGWDCH-VHSXEESVSA-N 1 1 303.313 1.459 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000423691742 420129360 /nfs/dbraw/zinc/12/93/60/420129360.db2.gz PXKVCSAARVWHJV-OAHLLOKOSA-N 1 1 309.341 1.985 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(O)CCOCC1 ZINC000430192183 420087980 /nfs/dbraw/zinc/08/79/80/420087980.db2.gz AUJVAONPPGMNFL-UHFFFAOYSA-N 1 1 310.350 1.577 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000430209444 420090066 /nfs/dbraw/zinc/09/00/66/420090066.db2.gz XWAXUZWUEATYNV-ZDUSSCGKSA-N 1 1 321.377 1.904 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000430226176 420092478 /nfs/dbraw/zinc/09/24/78/420092478.db2.gz MNTUBLDRMSCTJE-LBPRGKRZSA-N 1 1 307.350 1.833 20 5 DDBDMO COc1ccc(NC(=O)[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000423726849 420144722 /nfs/dbraw/zinc/14/47/22/420144722.db2.gz QBLGPUKTIDUCLU-VIFPVBQESA-N 1 1 315.276 1.787 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1CC([NH3+])C1 ZINC000420345585 420225336 /nfs/dbraw/zinc/22/53/36/420225336.db2.gz ZVEHZYOQAFPICQ-UHFFFAOYSA-N 1 1 322.365 1.354 20 5 DDBDMO C[N@H+]1CC[C@](O)(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228308 420250910 /nfs/dbraw/zinc/25/09/10/420250910.db2.gz OJZOZNGWYMZMKJ-WBVHZDCISA-N 1 1 319.405 1.973 20 5 DDBDMO CN1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433228308 420250915 /nfs/dbraw/zinc/25/09/15/420250915.db2.gz OJZOZNGWYMZMKJ-WBVHZDCISA-N 1 1 319.405 1.973 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416294085 420310900 /nfs/dbraw/zinc/31/09/00/420310900.db2.gz KOZFTFHJLBULLF-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416294085 420310903 /nfs/dbraw/zinc/31/09/03/420310903.db2.gz KOZFTFHJLBULLF-OLZOCXBDSA-N 1 1 321.377 1.430 20 5 DDBDMO CCC[N@H+]1CC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420581447 420322569 /nfs/dbraw/zinc/32/25/69/420322569.db2.gz GYJFMDNIKZYOLF-NSHDSACASA-N 1 1 306.366 1.838 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450796874 420534508 /nfs/dbraw/zinc/53/45/08/420534508.db2.gz RIFOFVXOQCXYDG-PHIMTYICSA-N 1 1 311.386 1.011 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450796874 420534511 /nfs/dbraw/zinc/53/45/11/420534511.db2.gz RIFOFVXOQCXYDG-PHIMTYICSA-N 1 1 311.386 1.011 20 5 DDBDMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000442132922 420670455 /nfs/dbraw/zinc/67/04/55/420670455.db2.gz QKSDANHFBDIYED-PWSUYJOCSA-N 1 1 320.349 1.132 20 5 DDBDMO CNc1nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000455667259 421051510 /nfs/dbraw/zinc/05/15/10/421051510.db2.gz QDHNQBOSDJAKMX-LLVKDONJSA-N 1 1 321.381 1.445 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000455744138 421058501 /nfs/dbraw/zinc/05/85/01/421058501.db2.gz YDXNJKRNOJPETN-CYBMUJFWSA-N 1 1 321.381 1.444 20 5 DDBDMO CNc1nc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000455744138 421058505 /nfs/dbraw/zinc/05/85/05/421058505.db2.gz YDXNJKRNOJPETN-CYBMUJFWSA-N 1 1 321.381 1.444 20 5 DDBDMO Cn1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000494355680 420999925 /nfs/dbraw/zinc/99/99/25/420999925.db2.gz HAPPXZWNNHTNFT-WCQYABFASA-N 1 1 316.365 1.619 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000488357851 421085152 /nfs/dbraw/zinc/08/51/52/421085152.db2.gz QFCSTNSJFLIXKU-IUODEOHRSA-N 1 1 305.378 1.793 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000450608499 421217271 /nfs/dbraw/zinc/21/72/71/421217271.db2.gz DKUCBRSWAJQOOX-JTQLQIEISA-N 1 1 314.773 1.902 20 5 DDBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2CCO)c(Cl)c1 ZINC000450608499 421217274 /nfs/dbraw/zinc/21/72/74/421217274.db2.gz DKUCBRSWAJQOOX-JTQLQIEISA-N 1 1 314.773 1.902 20 5 DDBDMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000559823907 421226707 /nfs/dbraw/zinc/22/67/07/421226707.db2.gz PAOFLCUBUYYQQA-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546088571 421284357 /nfs/dbraw/zinc/28/43/57/421284357.db2.gz RTXNPKBZMKBHFN-UHFFFAOYSA-N 1 1 321.381 1.518 20 5 DDBDMO C[C@@]1(CO)CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000546103885 421285080 /nfs/dbraw/zinc/28/50/80/421285080.db2.gz BBMPGVLNBVVJCG-HNNXBMFYSA-N 1 1 308.334 1.808 20 5 DDBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547754784 421363832 /nfs/dbraw/zinc/36/38/32/421363832.db2.gz CTRIDWYOQRTNCV-PHIMTYICSA-N 1 1 309.370 1.416 20 5 DDBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000518599850 421661255 /nfs/dbraw/zinc/66/12/55/421661255.db2.gz UYJUEOJCWWUXDZ-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000518599850 421661256 /nfs/dbraw/zinc/66/12/56/421661256.db2.gz UYJUEOJCWWUXDZ-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000533831723 421684178 /nfs/dbraw/zinc/68/41/78/421684178.db2.gz UDVWNTSYUHTQKS-CQSZACIVSA-N 1 1 300.318 1.839 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000533831723 421684179 /nfs/dbraw/zinc/68/41/79/421684179.db2.gz UDVWNTSYUHTQKS-CQSZACIVSA-N 1 1 300.318 1.839 20 5 DDBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366850 421747163 /nfs/dbraw/zinc/74/71/63/421747163.db2.gz IUZCQOXOYSTCJD-NEPJUHHUSA-N 1 1 308.382 1.784 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000541857755 421809103 /nfs/dbraw/zinc/80/91/03/421809103.db2.gz XFHDOEKXXZVCRS-NSHDSACASA-N 1 1 306.366 1.637 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000581139309 421908436 /nfs/dbraw/zinc/90/84/36/421908436.db2.gz ARDKMDVHDBZFPA-AWEZNQCLSA-N 1 1 314.345 1.641 20 5 DDBDMO CCc1nn(C)c(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574898174 422210549 /nfs/dbraw/zinc/21/05/49/422210549.db2.gz HEASUWOBIJBEAC-LLVKDONJSA-N 1 1 307.398 1.811 20 5 DDBDMO Cc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000594590791 422352661 /nfs/dbraw/zinc/35/26/61/422352661.db2.gz BUVDTJWJZDQZEN-RWMBFGLXSA-N 1 1 308.382 2.208 20 5 DDBDMO Cc1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000594590791 422352667 /nfs/dbraw/zinc/35/26/67/422352667.db2.gz BUVDTJWJZDQZEN-RWMBFGLXSA-N 1 1 308.382 2.208 20 5 DDBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC12CCCCC2 ZINC000596251782 422371793 /nfs/dbraw/zinc/37/17/93/422371793.db2.gz XYUCSMSXBCZGPA-UHFFFAOYSA-N 1 1 306.370 1.422 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CC[N@H+]3C3CCCC3)nn21 ZINC000599164058 422402696 /nfs/dbraw/zinc/40/26/96/422402696.db2.gz IUZFWPGKDPPXFG-GFCCVEGCSA-N 1 1 316.365 2.066 20 5 DDBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000578884249 422669500 /nfs/dbraw/zinc/66/95/00/422669500.db2.gz WHEBMULGBAYNNT-DZGCQCFKSA-N 1 1 318.377 1.830 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000345924843 272366656 /nfs/dbraw/zinc/36/66/56/272366656.db2.gz SAIMDUFOGUAZRS-GHMZBOCLSA-N 1 1 306.366 1.853 20 5 DDBDMO COc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000302382405 274096505 /nfs/dbraw/zinc/09/65/05/274096505.db2.gz GVEVIJIIFGMIES-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO COc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000302382405 274096507 /nfs/dbraw/zinc/09/65/07/274096507.db2.gz GVEVIJIIFGMIES-JTQLQIEISA-N 1 1 313.329 1.245 20 5 DDBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1CCO ZINC000302397744 274364183 /nfs/dbraw/zinc/36/41/83/274364183.db2.gz JJDSQMJWOUWVMY-GFCCVEGCSA-N 1 1 316.361 1.646 20 5 DDBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408056062 277179859 /nfs/dbraw/zinc/17/98/59/277179859.db2.gz CIYUCHIIYSYRMJ-ZIAGYGMSSA-N 1 1 323.324 1.279 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000268800465 281012865 /nfs/dbraw/zinc/01/28/65/281012865.db2.gz JEZPDMLSHXSHAH-UHFFFAOYSA-N 1 1 302.338 1.358 20 5 DDBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CO ZINC000305429850 533693633 /nfs/dbraw/zinc/69/36/33/533693633.db2.gz DLDTWSBNFQCPSW-YGRLFVJLSA-N 1 1 307.350 1.287 20 5 DDBDMO COC(=O)c1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000362804442 300145185 /nfs/dbraw/zinc/14/51/85/300145185.db2.gz FLZNSQKZLGNWCZ-ZANVPECISA-N 1 1 321.333 1.518 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000363304921 300248001 /nfs/dbraw/zinc/24/80/01/300248001.db2.gz MBOLJWVVDLJXAC-ILXRZTDVSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363304921 300248004 /nfs/dbraw/zinc/24/80/04/300248004.db2.gz MBOLJWVVDLJXAC-ILXRZTDVSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363304921 300248007 /nfs/dbraw/zinc/24/80/07/300248007.db2.gz MBOLJWVVDLJXAC-ILXRZTDVSA-N 1 1 303.362 1.432 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363324523 300251910 /nfs/dbraw/zinc/25/19/10/300251910.db2.gz PQZHIGBGNIIQGF-KGLIPLIRSA-N 1 1 303.362 1.880 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363564385 300282997 /nfs/dbraw/zinc/28/29/97/300282997.db2.gz TXAHQHKEHIWWFB-KBPBESRZSA-N 1 1 303.362 1.880 20 5 DDBDMO COc1cccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363697531 300298201 /nfs/dbraw/zinc/29/82/01/300298201.db2.gz FLKYSOKFAQLASL-GFCCVEGCSA-N 1 1 307.350 1.514 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364210742 300358406 /nfs/dbraw/zinc/35/84/06/300358406.db2.gz FUQCMBKSISCLDA-GFCCVEGCSA-N 1 1 307.350 1.124 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000368596848 301062022 /nfs/dbraw/zinc/06/20/22/301062022.db2.gz WFOKGLZMQIUMCF-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO O=C1NCCCC[C@H]1[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012308 301119652 /nfs/dbraw/zinc/11/96/52/301119652.db2.gz UWTKDQWGXVZDII-DGCLKSJQSA-N 1 1 307.354 1.097 20 5 DDBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000373676324 301714617 /nfs/dbraw/zinc/71/46/17/301714617.db2.gz VSFOHHZQMKZGFL-LLVKDONJSA-N 1 1 315.333 1.626 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(O)(C2CC2)C1 ZINC000376478103 302082797 /nfs/dbraw/zinc/08/27/97/302082797.db2.gz NVIDGTFITAFIIS-UHFFFAOYSA-N 1 1 319.361 1.689 20 5 DDBDMO Nc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000376763352 302099636 /nfs/dbraw/zinc/09/96/36/302099636.db2.gz FGOVPQVBKZZZPC-UHFFFAOYSA-N 1 1 320.393 1.868 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000533539688 303320887 /nfs/dbraw/zinc/32/08/87/303320887.db2.gz GTLRIYNNDSIICG-KCQAQPDRSA-N 1 1 324.377 1.427 20 5 DDBDMO CCc1ccc([C@@H](CO)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000359624741 306958350 /nfs/dbraw/zinc/95/83/50/306958350.db2.gz JJLQTPSYQBWJMW-CYBMUJFWSA-N 1 1 304.350 1.714 20 5 DDBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC1CCCC1 ZINC000369489868 307121776 /nfs/dbraw/zinc/12/17/76/307121776.db2.gz KMPPTNLICQNZCP-UHFFFAOYSA-N 1 1 321.381 1.487 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440810 307149658 /nfs/dbraw/zinc/14/96/58/307149658.db2.gz UIFZCKVGGOWFDQ-OCCSQVGLSA-N 1 1 308.382 1.664 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000371440811 307149682 /nfs/dbraw/zinc/14/96/82/307149682.db2.gz UIFZCKVGGOWFDQ-TZMCWYRMSA-N 1 1 308.382 1.664 20 5 DDBDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000582853735 337210629 /nfs/dbraw/zinc/21/06/29/337210629.db2.gz LQKSSBKHMOUVHB-GFCCVEGCSA-N 1 1 323.397 1.013 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157855274 519890251 /nfs/dbraw/zinc/89/02/51/519890251.db2.gz URGHYPCOUJIGRW-GFCCVEGCSA-N 1 1 309.370 1.030 20 5 DDBDMO Cc1nc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453158 534487132 /nfs/dbraw/zinc/48/71/32/534487132.db2.gz IWHUKZBRKONVSM-QWRGUYRKSA-N 1 1 323.397 1.993 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000156444287 521326847 /nfs/dbraw/zinc/32/68/47/521326847.db2.gz COPPJLYFHGEBFH-NXEZZACHSA-N 1 1 309.370 1.470 20 5 DDBDMO [NH3+]CC(F)(F)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414940304 534583502 /nfs/dbraw/zinc/58/35/02/534583502.db2.gz ZQXREHJDFRSRLK-UHFFFAOYSA-N 1 1 311.235 1.880 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1COC1 ZINC000451283013 528399631 /nfs/dbraw/zinc/39/96/31/528399631.db2.gz DVRRPQIAWDWDRP-UHFFFAOYSA-N 1 1 307.350 1.953 20 5 DDBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330890006 528549595 /nfs/dbraw/zinc/54/95/95/528549595.db2.gz BPXYYFSFWDHXDO-UWVGGRQHSA-N 1 1 309.370 1.483 20 5 DDBDMO Cc1cc(OCC(=O)NCC[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000797629528 700016876 /nfs/dbraw/zinc/01/68/76/700016876.db2.gz IJFIABWWFUKEQJ-CYBMUJFWSA-N 1 1 321.377 1.883 20 5 DDBDMO O=C1N[C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000799179864 700126785 /nfs/dbraw/zinc/12/67/85/700126785.db2.gz ZTBZGQUGFDAXPJ-KWCYVHTRSA-N 1 1 321.333 1.059 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191557 700127670 /nfs/dbraw/zinc/12/76/70/700127670.db2.gz NAELIFJNSVYBRE-TZMCWYRMSA-N 1 1 317.349 1.037 20 5 DDBDMO Cc1nn(CN(C)CCCn2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000162804935 697330259 /nfs/dbraw/zinc/33/02/59/697330259.db2.gz LTFDYFLWQUFWOW-UHFFFAOYSA-N 1 1 306.370 1.893 20 5 DDBDMO Cc1nn(C[N@@H+]2CCCO[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954647 700194324 /nfs/dbraw/zinc/19/43/24/700194324.db2.gz LRXCLRFJXGNWKN-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO Cc1nn(C[N@H+]2CCCO[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954647 700194326 /nfs/dbraw/zinc/19/43/26/700194326.db2.gz LRXCLRFJXGNWKN-SNVBAGLBSA-N 1 1 305.338 1.716 20 5 DDBDMO COC[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954325 700194474 /nfs/dbraw/zinc/19/44/74/700194474.db2.gz MXFDCSDLZMVUJT-NSHDSACASA-N 1 1 305.338 1.574 20 5 DDBDMO C[C@@H]1CCC[N@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278231 698091302 /nfs/dbraw/zinc/09/13/02/698091302.db2.gz SMJWRJHCEFZQDU-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO C[C@@H]1CCC[N@@H+](CCNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278231 698091305 /nfs/dbraw/zinc/09/13/05/698091305.db2.gz SMJWRJHCEFZQDU-CJNGLKHVSA-N 1 1 307.394 1.950 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000776280132 698091942 /nfs/dbraw/zinc/09/19/42/698091942.db2.gz ZXUZBOALSUPMFS-ZDUSSCGKSA-N 1 1 317.349 1.346 20 5 DDBDMO CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776580557 698120560 /nfs/dbraw/zinc/12/05/60/698120560.db2.gz WJWWKQOYHIPELB-CZUORRHYSA-N 1 1 321.377 1.476 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000776587138 698122483 /nfs/dbraw/zinc/12/24/83/698122483.db2.gz ULYPECVAELXWFB-ZNMIVQPWSA-N 1 1 324.402 1.835 20 5 DDBDMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776586978 698122503 /nfs/dbraw/zinc/12/25/03/698122503.db2.gz RTDPGTMBFZCJDY-ZFWWWQNUSA-N 1 1 308.334 1.513 20 5 DDBDMO CC(=O)N1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605599 698125988 /nfs/dbraw/zinc/12/59/88/698125988.db2.gz NLYPSMPRGUUGEA-OAHLLOKOSA-N 1 1 321.377 1.571 20 5 DDBDMO CC(=O)N1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776605599 698125990 /nfs/dbraw/zinc/12/59/90/698125990.db2.gz NLYPSMPRGUUGEA-OAHLLOKOSA-N 1 1 321.377 1.571 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@]3(CO)C1)OCCO2 ZINC000783735364 698871856 /nfs/dbraw/zinc/87/18/56/698871856.db2.gz PQGSBTPKJAAICQ-XHDPSFHLSA-N 1 1 306.318 1.180 20 5 DDBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@]3(CO)C1)OCCO2 ZINC000783735364 698871863 /nfs/dbraw/zinc/87/18/63/698871863.db2.gz PQGSBTPKJAAICQ-XHDPSFHLSA-N 1 1 306.318 1.180 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676960 699237910 /nfs/dbraw/zinc/23/79/10/699237910.db2.gz BLUNENGNZDEQNR-ZWNOBZJWSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000704676960 699237913 /nfs/dbraw/zinc/23/79/13/699237913.db2.gz BLUNENGNZDEQNR-ZWNOBZJWSA-N 1 1 300.742 1.566 20 5 DDBDMO C[C@@H]1[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719624992 699303025 /nfs/dbraw/zinc/30/30/25/699303025.db2.gz NLCCIGVLSLZIMT-VXNVDRBHSA-N 1 1 315.171 1.679 20 5 DDBDMO C[C@@H]1[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000719624992 699303028 /nfs/dbraw/zinc/30/30/28/699303028.db2.gz NLCCIGVLSLZIMT-VXNVDRBHSA-N 1 1 315.171 1.679 20 5 DDBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000789334034 699377829 /nfs/dbraw/zinc/37/78/29/699377829.db2.gz FUTRFFVAIWCMTP-XJKSGUPXSA-N 1 1 323.393 1.281 20 5 DDBDMO CO[C@H](C)C[N@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000795749623 699889159 /nfs/dbraw/zinc/88/91/59/699889159.db2.gz GWQUKICIUHEAOI-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO CO[C@H](C)C[N@@H+](C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000795749623 699889160 /nfs/dbraw/zinc/88/91/60/699889160.db2.gz GWQUKICIUHEAOI-LLVKDONJSA-N 1 1 305.338 1.778 20 5 DDBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000744350064 699946324 /nfs/dbraw/zinc/94/63/24/699946324.db2.gz PYYQNEJXNNFMHK-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000744385201 699947383 /nfs/dbraw/zinc/94/73/83/699947383.db2.gz MZKFFYHYVHAYNT-SWLSCSKDSA-N 1 1 316.361 1.772 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000751918868 700326518 /nfs/dbraw/zinc/32/65/18/700326518.db2.gz IEXCISVKVAWYOC-SEYXRHQNSA-N 1 1 321.377 1.693 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000760158138 700794212 /nfs/dbraw/zinc/79/42/12/700794212.db2.gz UOCVYJNVJPPZOF-LLVKDONJSA-N 1 1 316.361 1.781 20 5 DDBDMO C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000760158138 700794215 /nfs/dbraw/zinc/79/42/15/700794215.db2.gz UOCVYJNVJPPZOF-LLVKDONJSA-N 1 1 316.361 1.781 20 5 DDBDMO COc1cc(C[NH2+]C2(C(N)=O)CCCC2)c([N+](=O)[O-])cc1F ZINC000766826354 701064309 /nfs/dbraw/zinc/06/43/09/701064309.db2.gz LYQFUCWPIRYAEI-UHFFFAOYSA-N 1 1 311.313 1.630 20 5 DDBDMO CC[C@H](CO)[NH+]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804522713 701197237 /nfs/dbraw/zinc/19/72/37/701197237.db2.gz XOBHCCUJBKYPQA-LLVKDONJSA-N 1 1 324.337 1.396 20 5 DDBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000867945024 701846553 /nfs/dbraw/zinc/84/65/53/701846553.db2.gz OHMZJSURKUKOKP-UEKVPHQBSA-N 1 1 307.350 1.405 20 5 DDBDMO C[C@]([NH3+])(C(=O)N1C[C@@H]2COC[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000867985416 701874333 /nfs/dbraw/zinc/87/43/33/701874333.db2.gz CPQVMESUOFVANX-DAXOMENPSA-N 1 1 319.361 1.264 20 5 DDBDMO Cc1c(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000812343192 702166108 /nfs/dbraw/zinc/16/61/08/702166108.db2.gz OXPMNORUCOJSDQ-OLZOCXBDSA-N 1 1 303.362 1.927 20 5 DDBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206645 706648371 /nfs/dbraw/zinc/64/83/71/706648371.db2.gz FDJOIRCKPAVCPR-CMPLNLGQSA-N 1 1 320.349 1.307 20 5 DDBDMO C[N@H+]1CC[C@]2(CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)C1 ZINC000813635637 702388114 /nfs/dbraw/zinc/38/81/14/702388114.db2.gz AHDHBKLIAMWTCE-HNNXBMFYSA-N 1 1 301.350 1.775 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046638 702663133 /nfs/dbraw/zinc/66/31/33/702663133.db2.gz FTNOBBLOPYTYCA-NXEZZACHSA-N 1 1 321.337 1.022 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879576440 706724864 /nfs/dbraw/zinc/72/48/64/706724864.db2.gz SCGJMWIDCQPDKF-OCCSQVGLSA-N 1 1 318.377 1.559 20 5 DDBDMO Nc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000852056985 703914031 /nfs/dbraw/zinc/91/40/31/703914031.db2.gz UINJNAPNEKKKAB-UHFFFAOYSA-N 1 1 320.328 1.814 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC000871188497 704240815 /nfs/dbraw/zinc/24/08/15/704240815.db2.gz QAKIADHBLYIWOI-RRFJBIMHSA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000871188497 704240818 /nfs/dbraw/zinc/24/08/18/704240818.db2.gz QAKIADHBLYIWOI-RRFJBIMHSA-N 1 1 303.362 1.351 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000871188497 704240820 /nfs/dbraw/zinc/24/08/20/704240820.db2.gz QAKIADHBLYIWOI-RRFJBIMHSA-N 1 1 303.362 1.351 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853587963 704277524 /nfs/dbraw/zinc/27/75/24/704277524.db2.gz OZXYYWZDBUJWDI-GHMZBOCLSA-N 1 1 319.317 1.429 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853587963 704277525 /nfs/dbraw/zinc/27/75/25/704277525.db2.gz OZXYYWZDBUJWDI-GHMZBOCLSA-N 1 1 319.317 1.429 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000856073447 704512222 /nfs/dbraw/zinc/51/22/22/704512222.db2.gz QACKRPOGOBSDBN-SECBINFHSA-N 1 1 310.329 1.530 20 5 DDBDMO Nc1ncc2c(n1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000857924166 704643126 /nfs/dbraw/zinc/64/31/26/704643126.db2.gz SFRMREXCXFATIQ-CQSZACIVSA-N 1 1 315.333 1.059 20 5 DDBDMO Nc1ncc2c(n1)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000857924166 704643127 /nfs/dbraw/zinc/64/31/27/704643127.db2.gz SFRMREXCXFATIQ-CQSZACIVSA-N 1 1 315.333 1.059 20 5 DDBDMO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000858319415 704693893 /nfs/dbraw/zinc/69/38/93/704693893.db2.gz JQXIINJQGOIPJP-QMMMGPOBSA-N 1 1 301.730 1.746 20 5 DDBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000822808411 705045761 /nfs/dbraw/zinc/04/57/61/705045761.db2.gz SQASKWHVTBSICF-LLVKDONJSA-N 1 1 320.305 1.906 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000861033124 705353563 /nfs/dbraw/zinc/35/35/63/705353563.db2.gz GOCCJCCNBWIVFG-NSHDSACASA-N 1 1 311.338 1.201 20 5 DDBDMO COc1cc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000862544489 705729616 /nfs/dbraw/zinc/72/96/16/705729616.db2.gz ABSHTYRPBLTCPQ-GHMZBOCLSA-N 1 1 322.317 1.217 20 5 DDBDMO COc1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000862544489 705729618 /nfs/dbraw/zinc/72/96/18/705729618.db2.gz ABSHTYRPBLTCPQ-GHMZBOCLSA-N 1 1 322.317 1.217 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825791308 705731338 /nfs/dbraw/zinc/73/13/38/705731338.db2.gz GDNNAJGYBRMXJC-CQSZACIVSA-N 1 1 307.350 1.182 20 5 DDBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000827269310 705964776 /nfs/dbraw/zinc/96/47/76/705964776.db2.gz WQWOONNHLACERH-HZMBPMFUSA-N 1 1 307.325 1.900 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827320514 705975069 /nfs/dbraw/zinc/97/50/69/705975069.db2.gz RZBLQYDYIYZJMY-QMTHXVAHSA-N 1 1 307.325 1.900 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000878728336 706482890 /nfs/dbraw/zinc/48/28/90/706482890.db2.gz LTSVJDSDYLHBRT-INIZCTEOSA-N 1 1 318.377 1.939 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880134673 706886159 /nfs/dbraw/zinc/88/61/59/706886159.db2.gz OIYAJPRLQNJLJW-CABCVRRESA-N 1 1 318.377 1.702 20 5 DDBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000880134029 706886452 /nfs/dbraw/zinc/88/64/52/706886452.db2.gz LIXPZBIFJYGJHD-KGLIPLIRSA-N 1 1 318.377 1.362 20 5 DDBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147791 706909066 /nfs/dbraw/zinc/90/90/66/706909066.db2.gz OJTOCWCQVJXYPU-WDEREUQCSA-N 1 1 309.341 1.827 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880529352 707005831 /nfs/dbraw/zinc/00/58/31/707005831.db2.gz ALMXZUWXDKTOLB-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@@H]12 ZINC000880529352 707005833 /nfs/dbraw/zinc/00/58/33/707005833.db2.gz ALMXZUWXDKTOLB-IUODEOHRSA-N 1 1 319.361 1.574 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000897221631 708259554 /nfs/dbraw/zinc/25/95/54/708259554.db2.gz NXPCAXCOMKJUPJ-ZIAGYGMSSA-N 1 1 305.378 1.939 20 5 DDBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000897683210 708418832 /nfs/dbraw/zinc/41/88/32/708418832.db2.gz ATSMIWYWIBSXOU-XHDPSFHLSA-N 1 1 316.361 1.808 20 5 DDBDMO COC(=O)[C@H]1CSCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249984 708725628 /nfs/dbraw/zinc/72/56/28/708725628.db2.gz XWJCOPMFSWUMEB-LLVKDONJSA-N 1 1 311.363 1.328 20 5 DDBDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249984 708725630 /nfs/dbraw/zinc/72/56/30/708725630.db2.gz XWJCOPMFSWUMEB-LLVKDONJSA-N 1 1 311.363 1.328 20 5 DDBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000886595686 708787120 /nfs/dbraw/zinc/78/71/20/708787120.db2.gz NVOPJYFJSVWIAL-CYBMUJFWSA-N 1 1 306.366 1.792 20 5 DDBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000886595686 708787123 /nfs/dbraw/zinc/78/71/23/708787123.db2.gz NVOPJYFJSVWIAL-CYBMUJFWSA-N 1 1 306.366 1.792 20 5 DDBDMO Cn1cc(C[N@H+](C)CCc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000887093933 708953315 /nfs/dbraw/zinc/95/33/15/708953315.db2.gz ZYVKEPCAJADUFY-UHFFFAOYSA-N 1 1 318.333 1.732 20 5 DDBDMO Cn1cc(C[N@@H+](C)CCc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000887093933 708953317 /nfs/dbraw/zinc/95/33/17/708953317.db2.gz ZYVKEPCAJADUFY-UHFFFAOYSA-N 1 1 318.333 1.732 20 5 DDBDMO CNc1c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000887927929 709167612 /nfs/dbraw/zinc/16/76/12/709167612.db2.gz OHUITSZRJZNWDY-MEDUHNTESA-N 1 1 318.377 1.660 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887930310 709168379 /nfs/dbraw/zinc/16/83/79/709168379.db2.gz CHPRYASEVUXYQI-PBHICJAKSA-N 1 1 317.389 1.938 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910288165 709868452 /nfs/dbraw/zinc/86/84/52/709868452.db2.gz NUBIMLHFIDMWIN-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO C[C@H]1C[NH+](C(C)(C)CNc2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000891652292 710257576 /nfs/dbraw/zinc/25/75/76/710257576.db2.gz ICCRWTHMMCOUOR-QWRGUYRKSA-N 1 1 311.386 1.628 20 5 DDBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc4nonc4c3[N+](=O)[O-])C2)C1 ZINC000893964400 710903135 /nfs/dbraw/zinc/90/31/35/710903135.db2.gz QMBBZVWBTSATTP-CQSZACIVSA-N 1 1 303.322 1.663 20 5 DDBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000928564871 713229818 /nfs/dbraw/zinc/22/98/18/713229818.db2.gz GFFVDLSLQCFZRW-CYBMUJFWSA-N 1 1 315.333 1.214 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000928564871 713229820 /nfs/dbraw/zinc/22/98/20/713229820.db2.gz GFFVDLSLQCFZRW-CYBMUJFWSA-N 1 1 315.333 1.214 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C)cc1OC ZINC000928566291 713230515 /nfs/dbraw/zinc/23/05/15/713230515.db2.gz FBBMLUVUDNBELW-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C)cc1OC ZINC000928566291 713230517 /nfs/dbraw/zinc/23/05/17/713230517.db2.gz FBBMLUVUDNBELW-JTQLQIEISA-N 1 1 323.349 1.436 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895709030 711584967 /nfs/dbraw/zinc/58/49/67/711584967.db2.gz XWXIMQXMKJXXKP-DRDHIDPGSA-N 1 1 306.318 1.218 20 5 DDBDMO COC(=O)[C@]1(O)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895709030 711584970 /nfs/dbraw/zinc/58/49/70/711584970.db2.gz XWXIMQXMKJXXKP-DRDHIDPGSA-N 1 1 306.318 1.218 20 5 DDBDMO O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1c1ccc(Cl)c(F)c1 ZINC000905189259 711963581 /nfs/dbraw/zinc/96/35/81/711963581.db2.gz HDEZEZYMPNNPDD-MRVPVSSYSA-N 1 1 301.705 1.451 20 5 DDBDMO COc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000907298832 712536656 /nfs/dbraw/zinc/53/66/56/712536656.db2.gz IILCSSOBBNSQMG-GFCCVEGCSA-N 1 1 321.333 1.263 20 5 DDBDMO O=C(NC1CC2(C1)CC([NH2+]CC1CCC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963792305 717907882 /nfs/dbraw/zinc/90/78/82/717907882.db2.gz WROBHMPZAROKMM-QAALLOGESA-N 1 1 307.394 1.469 20 5 DDBDMO COc1ccc(OCCN2CCn3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000931526130 714119696 /nfs/dbraw/zinc/11/96/96/714119696.db2.gz MLKFCSBXCNJMPD-UHFFFAOYSA-N 1 1 304.306 1.699 20 5 DDBDMO COC1(OC)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000931641422 714147644 /nfs/dbraw/zinc/14/76/44/714147644.db2.gz FALIPGCRDOTEOH-SMDDNHRTSA-N 1 1 310.350 1.712 20 5 DDBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)CC[N@@H+](C)CC1 ZINC000933995525 714717415 /nfs/dbraw/zinc/71/74/15/714717415.db2.gz DKHCHTIIZQWYNC-CQSZACIVSA-N 1 1 306.410 1.835 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935429748 715053237 /nfs/dbraw/zinc/05/32/37/715053237.db2.gz FJEUQCISPZCDKZ-CABCVRRESA-N 1 1 321.377 1.129 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164631981 719256761 /nfs/dbraw/zinc/25/67/61/719256761.db2.gz GSTXIWXRZISQES-VHSXEESVSA-N 1 1 308.338 1.305 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164631981 719256764 /nfs/dbraw/zinc/25/67/64/719256764.db2.gz GSTXIWXRZISQES-VHSXEESVSA-N 1 1 308.338 1.305 20 5 DDBDMO COc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001165037417 721903957 /nfs/dbraw/zinc/90/39/57/721903957.db2.gz GRYQFBVYUAHAOY-LBPRGKRZSA-N 1 1 322.365 1.299 20 5 DDBDMO Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167787793 738571057 /nfs/dbraw/zinc/57/10/57/738571057.db2.gz IFMDSEIKMMYNAE-UHFFFAOYSA-N 1 1 313.317 1.736 20 5 DDBDMO COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001120959084 782257584 /nfs/dbraw/zinc/25/75/84/782257584.db2.gz FLZNAZYKKRXQIA-DGCLKSJQSA-N 1 1 308.382 1.650 20 5 DDBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001022064498 734369086 /nfs/dbraw/zinc/36/90/86/734369086.db2.gz HJMPVZHFRMERQI-XJFOESAGSA-N 1 1 323.418 1.767 20 5 DDBDMO CC(C)[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001089275407 744852930 /nfs/dbraw/zinc/85/29/30/744852930.db2.gz VANAYJMGDWSEAS-MWLCHTKSSA-N 1 1 324.406 1.191 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001192490997 745795422 /nfs/dbraw/zinc/79/54/22/745795422.db2.gz XTNDZGZBUZBVPO-WDEREUQCSA-N 1 1 318.333 1.848 20 5 DDBDMO CCN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)CC[N@@H+](C)CC ZINC001106841850 746452610 /nfs/dbraw/zinc/45/26/10/746452610.db2.gz TXLKCRKMRNQZCG-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759128 747248340 /nfs/dbraw/zinc/24/83/40/747248340.db2.gz NBKNNJQCOGSYSI-GXTWGEPZSA-N 1 1 322.365 1.022 20 5 DDBDMO CNC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197759128 747248344 /nfs/dbraw/zinc/24/83/44/747248344.db2.gz NBKNNJQCOGSYSI-GXTWGEPZSA-N 1 1 322.365 1.022 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198685207 747576721 /nfs/dbraw/zinc/57/67/21/747576721.db2.gz HZUCEWJFBCCKJK-CABCVRRESA-N 1 1 321.377 1.790 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000996430040 749588777 /nfs/dbraw/zinc/58/87/77/749588777.db2.gz YVGNLTGDGBHNQT-UKRRQHHQSA-N 1 1 321.352 1.572 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035186572 751262377 /nfs/dbraw/zinc/26/23/77/751262377.db2.gz GHZMCHYNZPPLBH-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001035186572 751262380 /nfs/dbraw/zinc/26/23/80/751262380.db2.gz GHZMCHYNZPPLBH-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035186572 751262382 /nfs/dbraw/zinc/26/23/82/751262382.db2.gz GHZMCHYNZPPLBH-ZIAGYGMSSA-N 1 1 307.394 1.376 20 5 DDBDMO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186947 751287565 /nfs/dbraw/zinc/28/75/65/751287565.db2.gz MVSLMQPKSRBLKD-HUUCEWRRSA-N 1 1 321.421 1.932 20 5 DDBDMO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186947 751287569 /nfs/dbraw/zinc/28/75/69/751287569.db2.gz MVSLMQPKSRBLKD-HUUCEWRRSA-N 1 1 321.421 1.932 20 5 DDBDMO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186947 751287572 /nfs/dbraw/zinc/28/75/72/751287572.db2.gz MVSLMQPKSRBLKD-HUUCEWRRSA-N 1 1 321.421 1.932 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007605 762175658 /nfs/dbraw/zinc/17/56/58/762175658.db2.gz OMIMZTMCAYEEAZ-YTWAJWBKSA-N 1 1 314.279 1.769 20 5 DDBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)C1 ZINC001169007605 762175664 /nfs/dbraw/zinc/17/56/64/762175664.db2.gz OMIMZTMCAYEEAZ-YTWAJWBKSA-N 1 1 314.279 1.769 20 5 DDBDMO CCNC(=O)CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169039938 762193641 /nfs/dbraw/zinc/19/36/41/762193641.db2.gz WAXJDACLXJLFCZ-BFHYXJOUSA-N 1 1 313.398 1.049 20 5 DDBDMO CN1CCN(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169026323 762203186 /nfs/dbraw/zinc/20/31/86/762203186.db2.gz KVKJFFNMTGJGMT-GDBMZVCRSA-N 1 1 310.442 1.144 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000829037758 759863301 /nfs/dbraw/zinc/86/33/01/759863301.db2.gz JFKOHHXKLXJHJS-DOMZBBRYSA-N 1 1 320.393 1.267 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000829037759 759864222 /nfs/dbraw/zinc/86/42/22/759864222.db2.gz JFKOHHXKLXJHJS-IUODEOHRSA-N 1 1 320.393 1.267 20 5 DDBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001042711401 764379168 /nfs/dbraw/zinc/37/91/68/764379168.db2.gz SJMHTBGZXWDLEV-ZIAGYGMSSA-N 1 1 307.394 1.375 20 5 DDBDMO C[N@H+](CC(=O)NCCNCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001129532171 766919255 /nfs/dbraw/zinc/91/92/55/766919255.db2.gz UAPVSYOUJFCZPN-UHFFFAOYSA-N 1 1 320.393 1.285 20 5 DDBDMO C[N@@H+](CC(=O)NCCNCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001129532171 766919256 /nfs/dbraw/zinc/91/92/56/766919256.db2.gz UAPVSYOUJFCZPN-UHFFFAOYSA-N 1 1 320.393 1.285 20 5 DDBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cs1 ZINC001135320741 771437886 /nfs/dbraw/zinc/43/78/86/771437886.db2.gz FOIICATUBKHGTN-UHFFFAOYSA-N 1 1 323.378 1.218 20 5 DDBDMO CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147505908 773155418 /nfs/dbraw/zinc/15/54/18/773155418.db2.gz AKMFYASPRZEAFX-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147505908 773155422 /nfs/dbraw/zinc/15/54/22/773155422.db2.gz AKMFYASPRZEAFX-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CC(C)CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147505908 773155426 /nfs/dbraw/zinc/15/54/26/773155426.db2.gz AKMFYASPRZEAFX-ZIAGYGMSSA-N 1 1 309.410 1.622 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093770714 775066954 /nfs/dbraw/zinc/06/69/54/775066954.db2.gz FBFQWSSKIKRIOW-UHFFFAOYSA-N 1 1 309.370 1.250 20 5 DDBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094639982 776161424 /nfs/dbraw/zinc/16/14/24/776161424.db2.gz LFLSXGHPOFYJGE-UHFFFAOYSA-N 1 1 323.397 1.638 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)c1F ZINC001173181331 777035546 /nfs/dbraw/zinc/03/55/46/777035546.db2.gz OQGPBRHMPRPQTN-OPQQBVKSSA-N 1 1 312.341 1.986 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001173235330 777065297 /nfs/dbraw/zinc/06/52/97/777065297.db2.gz WEURANYEBVCLFG-DOMZBBRYSA-N 1 1 303.362 1.832 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001173235330 777065300 /nfs/dbraw/zinc/06/53/00/777065300.db2.gz WEURANYEBVCLFG-DOMZBBRYSA-N 1 1 303.362 1.832 20 5 DDBDMO O=C(NCCCCCC[NH2+]C/C=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001178450197 779034960 /nfs/dbraw/zinc/03/49/60/779034960.db2.gz XBOKYXLXZLHLPF-IEVRTODYSA-N 1 1 303.790 1.670 20 5 DDBDMO COCC[N@@H+]1[C@H](C)CN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC001118125986 781038767 /nfs/dbraw/zinc/03/87/67/781038767.db2.gz CTFRNBAFIBAYNS-BETUJISGSA-N 1 1 308.382 1.844 20 5 DDBDMO O=C(NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)F ZINC001266579261 836492007 /nfs/dbraw/zinc/49/20/07/836492007.db2.gz KWNAYYBOLNNPAV-UHFFFAOYSA-N 1 1 313.304 1.941 20 5 DDBDMO Cc1ccc(F)cc1C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013746 844320188 /nfs/dbraw/zinc/32/01/88/844320188.db2.gz SHWDMXUQUBZLQU-HUUCEWRRSA-N 1 1 323.368 1.690 20 5 DDBDMO Cc1ccc(F)cc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272013746 844320201 /nfs/dbraw/zinc/32/02/01/844320201.db2.gz SHWDMXUQUBZLQU-HUUCEWRRSA-N 1 1 323.368 1.690 20 5 DDBDMO Cc1ccc(F)cc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272013746 844320212 /nfs/dbraw/zinc/32/02/12/844320212.db2.gz SHWDMXUQUBZLQU-HUUCEWRRSA-N 1 1 323.368 1.690 20 5 DDBDMO Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001276002227 854128627 /nfs/dbraw/zinc/12/86/27/854128627.db2.gz OSOLIADWPCRHFQ-HZPDHXFCSA-N 1 1 319.405 1.907 20 5 DDBDMO O=[N+]([O-])C[C@@H](OC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961844 881612620 /nfs/dbraw/zinc/61/26/20/881612620.db2.gz SBEBDIARCKVSJI-IAGOWNOFSA-N 1 1 320.389 1.959 20 5 DDBDMO O=[N+]([O-])C[C@@H](OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC001224961844 881612625 /nfs/dbraw/zinc/61/26/25/881612625.db2.gz SBEBDIARCKVSJI-IAGOWNOFSA-N 1 1 320.389 1.959 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2C)n1 ZINC001156986269 863500467 /nfs/dbraw/zinc/50/04/67/863500467.db2.gz UNAGVNTXPCHTGX-UHFFFAOYSA-N 1 1 317.305 1.674 20 5 DDBDMO CCC(CO)(CO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001157199432 863649350 /nfs/dbraw/zinc/64/93/50/863649350.db2.gz OMFQNKNLACDIGK-AATRIKPKSA-N 1 1 310.354 1.067 20 5 DDBDMO O=C(NCCC[NH2+]Cc1ccc(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001157761124 864111157 /nfs/dbraw/zinc/11/11/57/864111157.db2.gz NQWYOVYWPVCNLT-DGCLKSJQSA-N 1 1 313.304 1.226 20 5 DDBDMO C[N@@H+](CCCCCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331017153 864778305 /nfs/dbraw/zinc/77/83/05/864778305.db2.gz VKUAYQNUAMXYGO-ZIAGYGMSSA-N 1 1 315.389 1.714 20 5 DDBDMO C[N@H+](CCCCCF)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331017153 864778314 /nfs/dbraw/zinc/77/83/14/864778314.db2.gz VKUAYQNUAMXYGO-ZIAGYGMSSA-N 1 1 315.389 1.714 20 5 DDBDMO C[N@@H+](CCCCCF)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001331017153 864778326 /nfs/dbraw/zinc/77/83/26/864778326.db2.gz VKUAYQNUAMXYGO-ZIAGYGMSSA-N 1 1 315.389 1.714 20 5 DDBDMO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001319856124 866347905 /nfs/dbraw/zinc/34/79/05/866347905.db2.gz NNXDGNXBAAKUNU-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CC2CCC2)CC1 ZINC001323411701 866595895 /nfs/dbraw/zinc/59/58/95/866595895.db2.gz MGZLRKONZXDQQI-UHFFFAOYSA-N 1 1 321.381 1.257 20 5 DDBDMO Cc1nn(CN2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001334748333 867808986 /nfs/dbraw/zinc/80/89/86/867808986.db2.gz OSEVXSJYWMIWHO-MELADBBJSA-N 1 1 307.398 1.719 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001325566062 868142205 /nfs/dbraw/zinc/14/22/05/868142205.db2.gz VLSYXFSUPHWFSN-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO Cc1cccc(N2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)[nH+]1 ZINC001163668252 868611502 /nfs/dbraw/zinc/61/15/02/868611502.db2.gz QABSVABSYDPSRL-UHFFFAOYSA-N 1 1 314.349 1.723 20 5 DDBDMO Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001336836579 869173979 /nfs/dbraw/zinc/17/39/79/869173979.db2.gz IOTRVKKINRNRJA-WCQYABFASA-N 1 1 308.407 1.712 20 5 DDBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001337536870 869530091 /nfs/dbraw/zinc/53/00/91/869530091.db2.gz YJEZRZSZXVNQQA-SNVBAGLBSA-N 1 1 321.333 1.538 20 5 DDBDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001339555398 870551581 /nfs/dbraw/zinc/55/15/81/870551581.db2.gz VNPQWIYFOHQRNH-UHFFFAOYSA-N 1 1 310.402 1.148 20 5 DDBDMO CC[N@H+]1CCCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)CC1 ZINC001342909967 872433832 /nfs/dbraw/zinc/43/38/32/872433832.db2.gz RVOONFGEHGRVKL-ZDUSSCGKSA-N 1 1 324.429 1.804 20 5 DDBDMO C[NH+](C)C1(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001356594703 879118634 /nfs/dbraw/zinc/11/86/34/879118634.db2.gz DPLDQXJOBMFSMP-OAHLLOKOSA-N 1 1 323.393 1.329 20 5 DDBDMO CC[N@H+]1CC[C@H](OCc2c(C(=O)OC)cccc2[N+](=O)[O-])C1 ZINC001222773193 880692174 /nfs/dbraw/zinc/69/21/74/880692174.db2.gz IJHJJMAVWWEDCR-NSHDSACASA-N 1 1 308.334 1.992 20 5 DDBDMO C[N@@H+](CCCNC(=O)c1ccn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001234244437 887785823 /nfs/dbraw/zinc/78/58/23/887785823.db2.gz ROIOIJMICICCTR-UHFFFAOYSA-N 1 1 317.349 1.570 20 5 DDBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001246594614 892719316 /nfs/dbraw/zinc/71/93/16/892719316.db2.gz KFIOQPSMWNEITA-CQSZACIVSA-N 1 1 318.421 1.553 20 5 DDBDMO N[C@]12CC[C@@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865056 892954025 /nfs/dbraw/zinc/95/40/25/892954025.db2.gz XVZNMKRVJWRGNR-DYVFJYSZSA-N 1 1 316.405 1.987 20 5 DDBDMO N[C@]12CC[C@@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865056 892954037 /nfs/dbraw/zinc/95/40/37/892954037.db2.gz XVZNMKRVJWRGNR-DYVFJYSZSA-N 1 1 316.405 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@](F)(CO)C3)CC2)cc1 ZINC001254476367 896455909 /nfs/dbraw/zinc/45/59/09/896455909.db2.gz ONZYRJKUTMTQTC-MRXNPFEDSA-N 1 1 323.368 1.970 20 5 DDBDMO COc1cc(C(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])c1C ZINC001255741297 897101499 /nfs/dbraw/zinc/10/14/99/897101499.db2.gz MTRSUYYYGLYWON-UHFFFAOYSA-N 1 1 305.334 1.513 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001263074192 900482088 /nfs/dbraw/zinc/48/20/88/900482088.db2.gz ZQSAPGJGYPWFFI-BFHYXJOUSA-N 1 1 318.377 1.734 20 5 DDBDMO C[C@H](CO)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000248926102 282118691 /nfs/dbraw/zinc/11/86/91/282118691.db2.gz LQDZHFBZMBREHV-ZJUUUORDSA-N 1 1 302.758 1.812 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000249008422 282127061 /nfs/dbraw/zinc/12/70/61/282127061.db2.gz ZWDVSFFSCBOUHW-GWCFXTLKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000249008422 282127066 /nfs/dbraw/zinc/12/70/66/282127066.db2.gz ZWDVSFFSCBOUHW-GWCFXTLKSA-N 1 1 323.349 1.245 20 5 DDBDMO COc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000614420174 361846332 /nfs/dbraw/zinc/84/63/32/361846332.db2.gz OJQPNXHSUAWEDE-GFCCVEGCSA-N 1 1 303.322 1.642 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)ccc1[N+](=O)[O-] ZINC000614420174 361846333 /nfs/dbraw/zinc/84/63/33/361846333.db2.gz OJQPNXHSUAWEDE-GFCCVEGCSA-N 1 1 303.322 1.642 20 5 DDBDMO CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495215048 529441549 /nfs/dbraw/zinc/44/15/49/529441549.db2.gz ZLMZQURYLNHDEO-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000495215048 529441551 /nfs/dbraw/zinc/44/15/51/529441551.db2.gz ZLMZQURYLNHDEO-HNNXBMFYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451263369 529485612 /nfs/dbraw/zinc/48/56/12/529485612.db2.gz YUTPSTXYJUQYIG-BFHYXJOUSA-N 1 1 324.377 1.427 20 5 DDBDMO CC[C@@]1(O)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495198954 529573149 /nfs/dbraw/zinc/57/31/49/529573149.db2.gz DSXBYXUOQIFNCY-OAHLLOKOSA-N 1 1 307.350 1.404 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495198954 529573151 /nfs/dbraw/zinc/57/31/51/529573151.db2.gz DSXBYXUOQIFNCY-OAHLLOKOSA-N 1 1 307.350 1.404 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286654069 219105508 /nfs/dbraw/zinc/10/55/08/219105508.db2.gz UHYODYGAFIUJQW-LERXQTSPSA-N 1 1 307.350 1.767 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1-c1noc([C@@H]2CCCc3[nH+]ccn32)n1 ZINC000354169978 290932670 /nfs/dbraw/zinc/93/26/70/290932670.db2.gz PTDWDAKBPDQRQO-QMMMGPOBSA-N 1 1 315.293 1.501 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(N)=O)CC1 ZINC000021847101 352174830 /nfs/dbraw/zinc/17/48/30/352174830.db2.gz HVYOXLOCOZGBIB-SNVBAGLBSA-N 1 1 320.349 1.119 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000025579734 352198919 /nfs/dbraw/zinc/19/89/19/352198919.db2.gz PEEXVAMREACEDD-UHFFFAOYSA-N 1 1 310.329 1.356 20 5 DDBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000491307408 234129875 /nfs/dbraw/zinc/12/98/75/234129875.db2.gz VIIYCXFASDCTMB-BAQGIRSFSA-N 1 1 301.346 1.915 20 5 DDBDMO COC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067376135 353045867 /nfs/dbraw/zinc/04/58/67/353045867.db2.gz CZZIAJKDQQDQED-OAHLLOKOSA-N 1 1 319.361 1.811 20 5 DDBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000068960639 353138869 /nfs/dbraw/zinc/13/88/69/353138869.db2.gz XFJFEIBDYPXOLO-UHFFFAOYSA-N 1 1 301.368 1.133 20 5 DDBDMO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000069397347 353160257 /nfs/dbraw/zinc/16/02/57/353160257.db2.gz XHXSNAHXZAJCCI-GFCCVEGCSA-N 1 1 319.361 1.499 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000069528740 353165662 /nfs/dbraw/zinc/16/56/62/353165662.db2.gz BBBAJQHDBJYMDE-AWEZNQCLSA-N 1 1 321.377 1.364 20 5 DDBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000078343486 353512172 /nfs/dbraw/zinc/51/21/72/353512172.db2.gz PFJQVHWVPHHMEY-AWEZNQCLSA-N 1 1 313.329 1.229 20 5 DDBDMO COC[C@](C)(CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000085904227 353738837 /nfs/dbraw/zinc/73/88/37/353738837.db2.gz OAAGWLVZKSRKEG-AWEZNQCLSA-N 1 1 309.322 1.613 20 5 DDBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000114007398 353978784 /nfs/dbraw/zinc/97/87/84/353978784.db2.gz QXXYHGJJGSTCOW-CQSZACIVSA-N 1 1 321.377 1.639 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000142252833 354143883 /nfs/dbraw/zinc/14/38/83/354143883.db2.gz TZBVPRAAJYYMKP-CYBMUJFWSA-N 1 1 319.361 1.670 20 5 DDBDMO Cc1[nH+]ccn1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000210014549 354309445 /nfs/dbraw/zinc/30/94/45/354309445.db2.gz SPGJYDLJNXIZCR-DAXSKMNVSA-N 1 1 300.318 1.929 20 5 DDBDMO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237411695 354341807 /nfs/dbraw/zinc/34/18/07/354341807.db2.gz ZSGAGBBGMRRYHH-RKDXNWHRSA-N 1 1 303.322 1.423 20 5 DDBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](O)C1CC1 ZINC000305238628 354469952 /nfs/dbraw/zinc/46/99/52/354469952.db2.gz OZXJITONZSZEMT-OAHLLOKOSA-N 1 1 319.361 1.187 20 5 DDBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](O)C1CC1 ZINC000305238628 354469957 /nfs/dbraw/zinc/46/99/57/354469957.db2.gz OZXJITONZSZEMT-OAHLLOKOSA-N 1 1 319.361 1.187 20 5 DDBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]2N1 ZINC000320069206 354524813 /nfs/dbraw/zinc/52/48/13/354524813.db2.gz KAMSHELKFOBSKW-BXUZGUMPSA-N 1 1 307.325 1.834 20 5 DDBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]2N1 ZINC000320069206 354524816 /nfs/dbraw/zinc/52/48/16/354524816.db2.gz KAMSHELKFOBSKW-BXUZGUMPSA-N 1 1 307.325 1.834 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588862582 354944141 /nfs/dbraw/zinc/94/41/41/354944141.db2.gz GNUWJJLRWMGECZ-UONOGXRCSA-N 1 1 319.361 1.184 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000589514770 354998832 /nfs/dbraw/zinc/99/88/32/354998832.db2.gz LNSYVYHLUHZHFD-HZMBPMFUSA-N 1 1 308.334 1.584 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000589514770 354998835 /nfs/dbraw/zinc/99/88/35/354998835.db2.gz LNSYVYHLUHZHFD-HZMBPMFUSA-N 1 1 308.334 1.584 20 5 DDBDMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000589941437 355033699 /nfs/dbraw/zinc/03/36/99/355033699.db2.gz INYUWYGNPWEOTJ-NOZJJQNGSA-N 1 1 308.313 1.902 20 5 DDBDMO COc1ccc(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590044225 355042615 /nfs/dbraw/zinc/04/26/15/355042615.db2.gz ISKOCPSNGZIHLT-TZMCWYRMSA-N 1 1 319.361 1.308 20 5 DDBDMO COC(=O)c1ccnc(N[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000590582630 355120155 /nfs/dbraw/zinc/12/01/55/355120155.db2.gz BAINTBFDLMFLAY-JTQLQIEISA-N 1 1 308.338 1.671 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000590442950 355097519 /nfs/dbraw/zinc/09/75/19/355097519.db2.gz IGLRAPYLOKYOIF-QMTHXVAHSA-N 1 1 305.334 1.380 20 5 DDBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000591144262 355253912 /nfs/dbraw/zinc/25/39/12/355253912.db2.gz BVWRVCXXLKFITN-QWHCGFSZSA-N 1 1 310.329 1.164 20 5 DDBDMO Cc1cnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000591744917 355376524 /nfs/dbraw/zinc/37/65/24/355376524.db2.gz OABUIASOISNUBE-LBPRGKRZSA-N 1 1 323.374 1.889 20 5 DDBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592205583 355536847 /nfs/dbraw/zinc/53/68/47/355536847.db2.gz DBOWGBVAMPIWTL-MPKXVKKWSA-N 1 1 308.334 1.512 20 5 DDBDMO CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489677 355598370 /nfs/dbraw/zinc/59/83/70/355598370.db2.gz ZMKOUBPUZMGZFT-OLZOCXBDSA-N 1 1 320.393 1.983 20 5 DDBDMO CC[N@@H+](C)C[C@@H](O)COc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594571495 356252648 /nfs/dbraw/zinc/25/26/48/356252648.db2.gz HRDPKWLDIQWLGV-SNVBAGLBSA-N 1 1 312.322 1.073 20 5 DDBDMO Cc1noc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595288133 356433977 /nfs/dbraw/zinc/43/39/77/356433977.db2.gz JZUMXEOKOLNCJJ-GFCCVEGCSA-N 1 1 310.354 1.188 20 5 DDBDMO C[C@H]1CN(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421671 356485346 /nfs/dbraw/zinc/48/53/46/356485346.db2.gz AHJRNGNZACRKRO-STQMWFEESA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@H]1CN(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421671 356485349 /nfs/dbraw/zinc/48/53/49/356485349.db2.gz AHJRNGNZACRKRO-STQMWFEESA-N 1 1 320.393 1.457 20 5 DDBDMO C[C@H]1C[NH+](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC000595421671 356485354 /nfs/dbraw/zinc/48/53/54/356485354.db2.gz AHJRNGNZACRKRO-STQMWFEESA-N 1 1 320.393 1.457 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608844 356575709 /nfs/dbraw/zinc/57/57/09/356575709.db2.gz XJRAZMVJFXZACX-CYBMUJFWSA-N 1 1 317.349 1.587 20 5 DDBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000595766524 356643940 /nfs/dbraw/zinc/64/39/40/356643940.db2.gz OPCYQTCGDIKFMT-DGCLKSJQSA-N 1 1 310.350 1.827 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766831 356644147 /nfs/dbraw/zinc/64/41/47/356644147.db2.gz RSELMDFXVOYNNE-SMDDNHRTSA-N 1 1 307.350 1.687 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595766831 356644149 /nfs/dbraw/zinc/64/41/49/356644149.db2.gz RSELMDFXVOYNNE-SMDDNHRTSA-N 1 1 307.350 1.687 20 5 DDBDMO N[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595907132 356701080 /nfs/dbraw/zinc/70/10/80/356701080.db2.gz QVYDKBZJNPHLHL-GHMZBOCLSA-N 1 1 310.329 1.295 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596166795 356799497 /nfs/dbraw/zinc/79/94/97/356799497.db2.gz WQOGNJRHMGBWAQ-RISCZKNCSA-N 1 1 318.377 1.614 20 5 DDBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596169612 356800081 /nfs/dbraw/zinc/80/00/81/356800081.db2.gz JCSAKPSNQXTHGM-UHFFFAOYSA-N 1 1 317.349 1.725 20 5 DDBDMO CCOc1cc(C[N@@H+]2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000276914496 213171933 /nfs/dbraw/zinc/17/19/33/213171933.db2.gz NZIQTFHEEREXCG-AWEZNQCLSA-N 1 1 324.377 1.967 20 5 DDBDMO CCOc1cc(C[N@H+]2CCC[C@H](OCCO)C2)ccc1[N+](=O)[O-] ZINC000276914496 213171936 /nfs/dbraw/zinc/17/19/36/213171936.db2.gz NZIQTFHEEREXCG-AWEZNQCLSA-N 1 1 324.377 1.967 20 5 DDBDMO Cn1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000597574948 357234041 /nfs/dbraw/zinc/23/40/41/357234041.db2.gz JEJUEPKJRNKHDZ-QWRGUYRKSA-N 1 1 310.329 1.192 20 5 DDBDMO CCC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000598342483 357545757 /nfs/dbraw/zinc/54/57/57/357545757.db2.gz JBUZRGUUVCDAOP-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO O=[N+]([O-])c1ccc2ccnc(NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000599175713 357840589 /nfs/dbraw/zinc/84/05/89/357840589.db2.gz IZONVQPXFMCKKW-CYBMUJFWSA-N 1 1 302.334 1.622 20 5 DDBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000599704193 358033471 /nfs/dbraw/zinc/03/34/71/358033471.db2.gz QKGOGXSPNJXWMT-HNNXBMFYSA-N 1 1 321.377 1.964 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000600312319 358191983 /nfs/dbraw/zinc/19/19/83/358191983.db2.gz DZZYAYVHDKHJBU-NSHDSACASA-N 1 1 323.397 1.903 20 5 DDBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000600473127 358234346 /nfs/dbraw/zinc/23/43/46/358234346.db2.gz RFDADZSXFJXQNO-GFCCVEGCSA-N 1 1 304.350 1.737 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC ZINC000180860869 199220349 /nfs/dbraw/zinc/22/03/49/199220349.db2.gz RFYHUUHNTCHBKA-WDEREUQCSA-N 1 1 310.350 1.815 20 5 DDBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180953257 199232784 /nfs/dbraw/zinc/23/27/84/199232784.db2.gz NJLQXKIIBHPWMC-SNVBAGLBSA-N 1 1 317.349 1.748 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](O)[C@H](CO)C3)c2c1 ZINC000601175514 358433930 /nfs/dbraw/zinc/43/39/30/358433930.db2.gz ICHDYARWBKHATG-ZUZCIYMTSA-N 1 1 303.318 1.323 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975550 358762203 /nfs/dbraw/zinc/76/22/03/358762203.db2.gz XSLRCYNSONMJDR-PHIMTYICSA-N 1 1 321.333 1.120 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601975550 358762207 /nfs/dbraw/zinc/76/22/07/358762207.db2.gz XSLRCYNSONMJDR-PHIMTYICSA-N 1 1 321.333 1.120 20 5 DDBDMO Cn1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602677053 359120381 /nfs/dbraw/zinc/12/03/81/359120381.db2.gz QBJOOQCDYNOQLH-INIZCTEOSA-N 1 1 316.361 1.464 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(CNCCN3CCCOCC3)nc2c1 ZINC000602662356 359109654 /nfs/dbraw/zinc/10/96/54/359109654.db2.gz MFIAJILYXXOHBD-UHFFFAOYSA-N 1 1 320.349 1.548 20 5 DDBDMO CCN(C#N)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602794249 359196381 /nfs/dbraw/zinc/19/63/81/359196381.db2.gz MXPQUBDBFFMNIN-GFCCVEGCSA-N 1 1 304.354 1.279 20 5 DDBDMO CCN(C#N)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000602794249 359196385 /nfs/dbraw/zinc/19/63/85/359196385.db2.gz MXPQUBDBFFMNIN-GFCCVEGCSA-N 1 1 304.354 1.279 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000187259699 200085002 /nfs/dbraw/zinc/08/50/02/200085002.db2.gz UXDZFZLGJBRBKF-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000187259699 200085004 /nfs/dbraw/zinc/08/50/04/200085004.db2.gz UXDZFZLGJBRBKF-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604278138 359732371 /nfs/dbraw/zinc/73/23/71/359732371.db2.gz JXKPDZXSASKZFK-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604278138 359732376 /nfs/dbraw/zinc/73/23/76/359732376.db2.gz JXKPDZXSASKZFK-LLVKDONJSA-N 1 1 313.379 1.276 20 5 DDBDMO COc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604290929 359733208 /nfs/dbraw/zinc/73/32/08/359733208.db2.gz QWKPTCCSHRUJMQ-LBPRGKRZSA-N 1 1 322.365 1.497 20 5 DDBDMO C[N@@H+]1CCC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532825 359762066 /nfs/dbraw/zinc/76/20/66/359762066.db2.gz NPZHTUREJKGCAC-LBPRGKRZSA-N 1 1 307.350 1.550 20 5 DDBDMO C[N@H+]1CCC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532825 359762069 /nfs/dbraw/zinc/76/20/69/359762069.db2.gz NPZHTUREJKGCAC-LBPRGKRZSA-N 1 1 307.350 1.550 20 5 DDBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000281176142 216132079 /nfs/dbraw/zinc/13/20/79/216132079.db2.gz NAVZAMYOXSSOHO-NSHDSACASA-N 1 1 322.365 1.554 20 5 DDBDMO COc1cc(CN[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000608782073 360241956 /nfs/dbraw/zinc/24/19/56/360241956.db2.gz SCKUNFSSKSTSMS-GFCCVEGCSA-N 1 1 309.366 1.796 20 5 DDBDMO COc1cc(CN[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000608782073 360241959 /nfs/dbraw/zinc/24/19/59/360241959.db2.gz SCKUNFSSKSTSMS-GFCCVEGCSA-N 1 1 309.366 1.796 20 5 DDBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609399947 360304636 /nfs/dbraw/zinc/30/46/36/360304636.db2.gz WQHFQAPPSRXFHA-CQSZACIVSA-N 1 1 318.377 1.878 20 5 DDBDMO C[N@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000609257952 360276995 /nfs/dbraw/zinc/27/69/95/360276995.db2.gz XMJKJWLLMUPOQT-GFCCVEGCSA-N 1 1 307.350 1.574 20 5 DDBDMO CC[N@H+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087362 360618326 /nfs/dbraw/zinc/61/83/26/360618326.db2.gz BOJVPDDJSCYCCG-LBPRGKRZSA-N 1 1 321.377 1.699 20 5 DDBDMO CC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092124 360621407 /nfs/dbraw/zinc/62/14/07/360621407.db2.gz JFIFQSJQYSRZOS-STQMWFEESA-N 1 1 320.393 1.948 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611512045 360742600 /nfs/dbraw/zinc/74/26/00/360742600.db2.gz YACOOVGFGPIIHO-SNVBAGLBSA-N 1 1 319.317 1.290 20 5 DDBDMO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000611826383 360836566 /nfs/dbraw/zinc/83/65/66/360836566.db2.gz HLKOQLWWOSHWHQ-NSHDSACASA-N 1 1 308.338 1.819 20 5 DDBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1cn(C)nn1 ZINC000611973561 360877512 /nfs/dbraw/zinc/87/75/12/360877512.db2.gz RFMLZPGJZYNLNE-SNVBAGLBSA-N 1 1 318.337 1.230 20 5 DDBDMO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000618779146 363757934 /nfs/dbraw/zinc/75/79/34/363757934.db2.gz KELIDDGMPUWDBO-GFCCVEGCSA-N 1 1 321.333 1.973 20 5 DDBDMO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000618779146 363757941 /nfs/dbraw/zinc/75/79/41/363757941.db2.gz KELIDDGMPUWDBO-GFCCVEGCSA-N 1 1 321.333 1.973 20 5 DDBDMO C[N@H+](CCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281581663 216398676 /nfs/dbraw/zinc/39/86/76/216398676.db2.gz DYFJHAPFJBGQAX-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO C[N@@H+](CCCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281581663 216398679 /nfs/dbraw/zinc/39/86/79/216398679.db2.gz DYFJHAPFJBGQAX-UHFFFAOYSA-N 1 1 301.730 1.501 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252435 363945373 /nfs/dbraw/zinc/94/53/73/363945373.db2.gz LLOSIYFJQIKRRX-CABCVRRESA-N 1 1 321.352 1.782 20 5 DDBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359224452 299364034 /nfs/dbraw/zinc/36/40/34/299364034.db2.gz IKCVZFYGXOTTEJ-GFCCVEGCSA-N 1 1 304.350 1.631 20 5 DDBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000265032561 204356184 /nfs/dbraw/zinc/35/61/84/204356184.db2.gz XOXVZKJKCPBUIV-LLVKDONJSA-N 1 1 309.370 1.621 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1CO ZINC000265463895 204631924 /nfs/dbraw/zinc/63/19/24/204631924.db2.gz HIAICKZNCACTHS-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000282557537 217086604 /nfs/dbraw/zinc/08/66/04/217086604.db2.gz XWOLDAFXJICKFO-CYBMUJFWSA-N 1 1 312.391 1.504 20 5 DDBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000282557537 217086606 /nfs/dbraw/zinc/08/66/06/217086606.db2.gz XWOLDAFXJICKFO-CYBMUJFWSA-N 1 1 312.391 1.504 20 5 DDBDMO C[N@@H+](C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000351543671 284370114 /nfs/dbraw/zinc/37/01/14/284370114.db2.gz SVCSBLYRIFPCGE-MRXNPFEDSA-N 1 1 305.378 1.408 20 5 DDBDMO C[N@@H+](C[C@@H](O)CNCCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468339 781964816 /nfs/dbraw/zinc/96/48/16/781964816.db2.gz MGBBDEGPRUUCDR-HNNXBMFYSA-N 1 1 308.382 1.051 20 5 DDBDMO CN(C[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468339 781964828 /nfs/dbraw/zinc/96/48/28/781964828.db2.gz MGBBDEGPRUUCDR-HNNXBMFYSA-N 1 1 308.382 1.051 20 5 DDBDMO C[C@H]1C[C@@H](CO)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288573632 220251885 /nfs/dbraw/zinc/25/18/85/220251885.db2.gz BLLUILYXXDOUDF-YDHLFZDLSA-N 1 1 324.377 1.427 20 5 DDBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCO ZINC000267901146 206326990 /nfs/dbraw/zinc/32/69/90/206326990.db2.gz JSXLBEPUGNRLOO-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCO ZINC000267901146 206326995 /nfs/dbraw/zinc/32/69/95/206326995.db2.gz JSXLBEPUGNRLOO-MRVPVSSYSA-N 1 1 301.730 1.499 20 5 DDBDMO C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000579569450 422791782 /nfs/dbraw/zinc/79/17/82/422791782.db2.gz QPYBRTIWKQSRJQ-UHFFFAOYSA-N 1 1 306.366 1.559 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000284504878 218056075 /nfs/dbraw/zinc/05/60/75/218056075.db2.gz XXKNHUTVJNGTLR-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000338583384 250039378 /nfs/dbraw/zinc/03/93/78/250039378.db2.gz ZFYFCMUPCNVMDP-LLVKDONJSA-N 1 1 319.361 1.960 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000273900653 211155932 /nfs/dbraw/zinc/15/59/32/211155932.db2.gz BOIYCNXYGFLFAL-CYBMUJFWSA-N 1 1 304.350 1.631 20 5 DDBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000273900653 211155936 /nfs/dbraw/zinc/15/59/36/211155936.db2.gz BOIYCNXYGFLFAL-CYBMUJFWSA-N 1 1 304.350 1.631 20 5 DDBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109966743 194300608 /nfs/dbraw/zinc/30/06/08/194300608.db2.gz VEHCQVZXAIHOKJ-ZDUSSCGKSA-N 1 1 323.397 1.480 20 5 DDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000340472096 251071371 /nfs/dbraw/zinc/07/13/71/251071371.db2.gz AOIUPGQMHVSXAJ-NSHDSACASA-N 1 1 310.354 1.010 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000340969554 251309494 /nfs/dbraw/zinc/30/94/94/251309494.db2.gz SLUGMVGBBUQRRR-NSHDSACASA-N 1 1 323.349 1.054 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c(F)c1 ZINC000352403965 285027983 /nfs/dbraw/zinc/02/79/83/285027983.db2.gz ZVWOFLRGOOESDQ-STQMWFEESA-N 1 1 302.277 1.503 20 5 DDBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC(F)(F)F ZINC000352538781 285126212 /nfs/dbraw/zinc/12/62/12/285126212.db2.gz OUQCGYNFTWLIHV-UHFFFAOYSA-N 1 1 319.283 1.748 20 5 DDBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCC(F)(F)F ZINC000352538781 285126214 /nfs/dbraw/zinc/12/62/14/285126214.db2.gz OUQCGYNFTWLIHV-UHFFFAOYSA-N 1 1 319.283 1.748 20 5 DDBDMO COCC(COC)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000413469081 533100795 /nfs/dbraw/zinc/10/07/95/533100795.db2.gz ANVZVMRQBCXZLU-UHFFFAOYSA-N 1 1 324.381 1.082 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661577 285205640 /nfs/dbraw/zinc/20/56/40/285205640.db2.gz UHYODYGAFIUJQW-SWHYSGLUSA-N 1 1 307.350 1.767 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000155199891 197031105 /nfs/dbraw/zinc/03/11/05/197031105.db2.gz MKAHHSGOYMJUAF-UHFFFAOYSA-N 1 1 323.349 1.419 20 5 DDBDMO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000414144596 224304934 /nfs/dbraw/zinc/30/49/34/224304934.db2.gz OTALQRBWLPPRGQ-CQSZACIVSA-N 1 1 323.393 1.199 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000295010721 224377201 /nfs/dbraw/zinc/37/72/01/224377201.db2.gz SLMXSDIUKVCGAC-NSHDSACASA-N 1 1 324.337 1.762 20 5 DDBDMO Cn1cc(CNC2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414780472 224393346 /nfs/dbraw/zinc/39/33/46/224393346.db2.gz BEEQBTUDSNLVKQ-UHFFFAOYSA-N 1 1 315.377 1.837 20 5 DDBDMO Cc1nn(C)c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000352869380 285348125 /nfs/dbraw/zinc/34/81/25/285348125.db2.gz WJXRSTUEQCBWKN-WDEREUQCSA-N 1 1 323.397 1.629 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000121607041 195316369 /nfs/dbraw/zinc/31/63/69/195316369.db2.gz WFSSREXUQKGFRQ-GFCCVEGCSA-N 1 1 307.350 1.432 20 5 DDBDMO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299529279 533667944 /nfs/dbraw/zinc/66/79/44/533667944.db2.gz LJMHPMTVSDYRGR-ZJUUUORDSA-N 1 1 309.370 1.477 20 5 DDBDMO CCn1ccnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568384616 304290075 /nfs/dbraw/zinc/29/00/75/304290075.db2.gz SMWHCTYCJXWNEX-ZDUSSCGKSA-N 1 1 320.349 1.341 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000069220834 406692160 /nfs/dbraw/zinc/69/21/60/406692160.db2.gz JPLWMAXQUJVQNB-SNVBAGLBSA-N 1 1 309.370 1.485 20 5 DDBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000074139106 406903874 /nfs/dbraw/zinc/90/38/74/406903874.db2.gz ZPVGVYWINBNCMI-UHFFFAOYSA-N 1 1 324.381 1.191 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000076299726 406962499 /nfs/dbraw/zinc/96/24/99/406962499.db2.gz QBCZRMUIVXAVIG-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000076299726 406962501 /nfs/dbraw/zinc/96/25/01/406962501.db2.gz QBCZRMUIVXAVIG-CYBMUJFWSA-N 1 1 307.350 1.953 20 5 DDBDMO Cc1c(NC(=O)CC[N@@H+](CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000067965664 407292200 /nfs/dbraw/zinc/29/22/00/407292200.db2.gz YQVBXQNFLFXOLK-UHFFFAOYSA-N 1 1 307.350 1.689 20 5 DDBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068011973 407293854 /nfs/dbraw/zinc/29/38/54/407293854.db2.gz NQJRFKWOPHTPNQ-JTQLQIEISA-N 1 1 310.329 1.530 20 5 DDBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000098093509 407305593 /nfs/dbraw/zinc/30/55/93/407305593.db2.gz TVGQGOIZTVVRTE-JTQLQIEISA-N 1 1 308.338 1.157 20 5 DDBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000105611717 407354791 /nfs/dbraw/zinc/35/47/91/407354791.db2.gz UCXKSFNMZVUYKO-AWEZNQCLSA-N 1 1 307.350 1.574 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124762879 407368722 /nfs/dbraw/zinc/36/87/22/407368722.db2.gz NBZYONFCINZDKK-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124762879 407368724 /nfs/dbraw/zinc/36/87/24/407368724.db2.gz NBZYONFCINZDKK-IAQYHMDHSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000107888944 407381184 /nfs/dbraw/zinc/38/11/84/407381184.db2.gz LSJLYMPUAWBAQS-LLVKDONJSA-N 1 1 307.350 1.675 20 5 DDBDMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178558090 407491130 /nfs/dbraw/zinc/49/11/30/407491130.db2.gz SYNWQRLRQHWBKB-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000178558090 407491135 /nfs/dbraw/zinc/49/11/35/407491135.db2.gz SYNWQRLRQHWBKB-UHFFFAOYSA-N 1 1 323.349 1.727 20 5 DDBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185751101 407493686 /nfs/dbraw/zinc/49/36/86/407493686.db2.gz LDFYBPDHAZRALF-UHFFFAOYSA-N 1 1 313.379 1.357 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H](CO)C3)n2)cc1 ZINC000266898878 407666409 /nfs/dbraw/zinc/66/64/09/407666409.db2.gz GBDGPFDCGNLQKV-JTQLQIEISA-N 1 1 304.306 1.459 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](CO)C3)n2)cc1 ZINC000266898878 407666416 /nfs/dbraw/zinc/66/64/16/407666416.db2.gz GBDGPFDCGNLQKV-JTQLQIEISA-N 1 1 304.306 1.459 20 5 DDBDMO C[C@@]1(CCCO)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000272064234 407762422 /nfs/dbraw/zinc/76/24/22/407762422.db2.gz XIJWNPQMJFRSDG-HNNXBMFYSA-N 1 1 309.366 1.384 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268261560 407975685 /nfs/dbraw/zinc/97/56/85/407975685.db2.gz ZJLIJBMCKPXAKK-GZMMTYOYSA-N 1 1 307.354 1.093 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546647 407976716 /nfs/dbraw/zinc/97/67/16/407976716.db2.gz KEYPDMKEBPEMJK-NWDGAFQWSA-N 1 1 307.350 1.260 20 5 DDBDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272546647 407976720 /nfs/dbraw/zinc/97/67/20/407976720.db2.gz KEYPDMKEBPEMJK-NWDGAFQWSA-N 1 1 307.350 1.260 20 5 DDBDMO CNC(=O)c1ccc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268171912 407925901 /nfs/dbraw/zinc/92/59/01/407925901.db2.gz QTWXJGVYMYZILG-HZMBPMFUSA-N 1 1 318.377 1.849 20 5 DDBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000154310266 408013900 /nfs/dbraw/zinc/01/39/00/408013900.db2.gz ZQJWZJJFOGIVNL-CYBMUJFWSA-N 1 1 323.397 1.418 20 5 DDBDMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000189727763 408091968 /nfs/dbraw/zinc/09/19/68/408091968.db2.gz ZTXIEPNKRUGIHA-LBPRGKRZSA-N 1 1 307.350 1.042 20 5 DDBDMO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182209585 408096332 /nfs/dbraw/zinc/09/63/32/408096332.db2.gz HEWFACPKNJLCML-LBPRGKRZSA-N 1 1 310.350 1.445 20 5 DDBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000182209585 408096343 /nfs/dbraw/zinc/09/63/43/408096343.db2.gz HEWFACPKNJLCML-LBPRGKRZSA-N 1 1 310.350 1.445 20 5 DDBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000190148183 408175704 /nfs/dbraw/zinc/17/57/04/408175704.db2.gz XCYWJIKYBZVUOK-VXGBXAGGSA-N 1 1 323.349 1.005 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000190148183 408175708 /nfs/dbraw/zinc/17/57/08/408175708.db2.gz XCYWJIKYBZVUOK-VXGBXAGGSA-N 1 1 323.349 1.005 20 5 DDBDMO COc1ccc(NC(=O)CC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000122187688 408263700 /nfs/dbraw/zinc/26/37/00/408263700.db2.gz RHSIRTPMCHKUNA-UHFFFAOYSA-N 1 1 322.365 1.179 20 5 DDBDMO COc1cccc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000182694720 408224920 /nfs/dbraw/zinc/22/49/20/408224920.db2.gz IEXCTKPPXURADB-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO COc1cccc2c1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000182694720 408224924 /nfs/dbraw/zinc/22/49/24/408224924.db2.gz IEXCTKPPXURADB-UHFFFAOYSA-N 1 1 302.334 1.858 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@H](C)C1 ZINC000122321937 408283504 /nfs/dbraw/zinc/28/35/04/408283504.db2.gz QUFUXUDOBALSOL-DGCLKSJQSA-N 1 1 323.397 1.288 20 5 DDBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000190892592 408338976 /nfs/dbraw/zinc/33/89/76/408338976.db2.gz LFXAKBUVMMJIAF-NEPJUHHUSA-N 1 1 310.350 1.542 20 5 DDBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171584550 162226258 /nfs/dbraw/zinc/22/62/58/162226258.db2.gz TYDHVVOLCGIPTR-LQYUOIDQSA-N 1 1 301.346 1.915 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000172300064 162269022 /nfs/dbraw/zinc/26/90/22/162269022.db2.gz NBQZMTASQYSEOB-CYBMUJFWSA-N 1 1 310.350 1.447 20 5 DDBDMO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000173465924 162341388 /nfs/dbraw/zinc/34/13/88/162341388.db2.gz ASJVGUJWZUEBDQ-LLVKDONJSA-N 1 1 303.322 1.973 20 5 DDBDMO Cc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)on1 ZINC000173465924 162341389 /nfs/dbraw/zinc/34/13/89/162341389.db2.gz ASJVGUJWZUEBDQ-LLVKDONJSA-N 1 1 303.322 1.973 20 5 DDBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248586224 408592761 /nfs/dbraw/zinc/59/27/61/408592761.db2.gz QYLOCRBARMMPDC-GRYCIOLGSA-N 1 1 307.350 1.625 20 5 DDBDMO C[N@@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192527381 408603726 /nfs/dbraw/zinc/60/37/26/408603726.db2.gz CCFOEANGMPNPMV-XXIWEDNYSA-N 1 1 301.346 1.628 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265611378 408711155 /nfs/dbraw/zinc/71/11/55/408711155.db2.gz HEEVMHHYRUXMMQ-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251842402 408787308 /nfs/dbraw/zinc/78/73/08/408787308.db2.gz OCWBEPSFWGQKRI-OLZOCXBDSA-N 1 1 321.377 1.051 20 5 DDBDMO O=C(CC[N@@H+]1CCC[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167431 408773018 /nfs/dbraw/zinc/77/30/18/408773018.db2.gz IBMMZVQTLRBKMH-LLVKDONJSA-N 1 1 311.313 1.519 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195197162 163312945 /nfs/dbraw/zinc/31/29/45/163312945.db2.gz DQDURFPKVGMXDZ-OAHLLOKOSA-N 1 1 319.361 1.717 20 5 DDBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195197162 163312948 /nfs/dbraw/zinc/31/29/48/163312948.db2.gz DQDURFPKVGMXDZ-OAHLLOKOSA-N 1 1 319.361 1.717 20 5 DDBDMO C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277658864 408987257 /nfs/dbraw/zinc/98/72/57/408987257.db2.gz DOCQAEIIZUNIJZ-SNVBAGLBSA-N 1 1 311.313 1.783 20 5 DDBDMO C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277658864 408987258 /nfs/dbraw/zinc/98/72/58/408987258.db2.gz DOCQAEIIZUNIJZ-SNVBAGLBSA-N 1 1 311.313 1.783 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000292184023 408996952 /nfs/dbraw/zinc/99/69/52/408996952.db2.gz GQYVOAFGMZQIRC-ZDUSSCGKSA-N 1 1 313.333 1.479 20 5 DDBDMO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000286754038 408998611 /nfs/dbraw/zinc/99/86/11/408998611.db2.gz RWGJHBQEBSEEEN-NSHDSACASA-N 1 1 308.382 1.458 20 5 DDBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000278418053 409083399 /nfs/dbraw/zinc/08/33/99/409083399.db2.gz RCPJGRSNNHCQJV-OKILXGFUSA-N 1 1 304.302 1.392 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283793800 409217567 /nfs/dbraw/zinc/21/75/67/409217567.db2.gz SMWFFSVODWMVLE-UHFFFAOYSA-N 1 1 308.382 1.460 20 5 DDBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)C1 ZINC000294313464 409277164 /nfs/dbraw/zinc/27/71/64/409277164.db2.gz WMVLZHSAUVWTJY-MRXNPFEDSA-N 1 1 318.377 1.735 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284896888 409367576 /nfs/dbraw/zinc/36/75/76/409367576.db2.gz HHRAINCVHLNRLZ-HUUCEWRRSA-N 1 1 307.350 1.513 20 5 DDBDMO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262878596 163888593 /nfs/dbraw/zinc/88/85/93/163888593.db2.gz VRYIFOJOOFWTRW-LDYMZIIASA-N 1 1 303.322 1.199 20 5 DDBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295984133 409391810 /nfs/dbraw/zinc/39/18/10/409391810.db2.gz JLBZUDSBJLHPDT-ZDUSSCGKSA-N 1 1 309.366 1.239 20 5 DDBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356739011 409563589 /nfs/dbraw/zinc/56/35/89/409563589.db2.gz NOWIZDLTRVWKGT-LLVKDONJSA-N 1 1 309.370 1.036 20 5 DDBDMO Cc1c(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000344816313 409519915 /nfs/dbraw/zinc/51/99/15/409519915.db2.gz SONMATBBZLEKGV-UHFFFAOYSA-N 1 1 320.349 1.052 20 5 DDBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)nc1 ZINC000331461060 409533000 /nfs/dbraw/zinc/53/30/00/409533000.db2.gz JJJPGOIZHQZKRY-CHWSQXEVSA-N 1 1 306.366 1.903 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000344919659 409554238 /nfs/dbraw/zinc/55/42/38/409554238.db2.gz CXBYFKRAGPWNFT-BPJJOFIESA-N 1 1 304.350 1.611 20 5 DDBDMO CNC(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000344919659 409554245 /nfs/dbraw/zinc/55/42/45/409554245.db2.gz CXBYFKRAGPWNFT-BPJJOFIESA-N 1 1 304.350 1.611 20 5 DDBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356793064 409611642 /nfs/dbraw/zinc/61/16/42/409611642.db2.gz MFDVNPIRHISQSJ-MNOVXSKESA-N 1 1 306.366 1.483 20 5 DDBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345170668 409655879 /nfs/dbraw/zinc/65/58/79/409655879.db2.gz IVKJNMOZGWWJKW-GHMZBOCLSA-N 1 1 306.366 1.613 20 5 DDBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000346224439 409863636 /nfs/dbraw/zinc/86/36/36/409863636.db2.gz NUHFUYOGNIDLPV-GMXVVIOVSA-N 1 1 306.366 1.725 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000318799938 409883415 /nfs/dbraw/zinc/88/34/15/409883415.db2.gz ATAHWFLTWDIJBO-SNVBAGLBSA-N 1 1 307.354 1.032 20 5 DDBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332311528 410060977 /nfs/dbraw/zinc/06/09/77/410060977.db2.gz MWRJETUMFGDJFB-GFCCVEGCSA-N 1 1 318.377 1.120 20 5 DDBDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000298389134 410207621 /nfs/dbraw/zinc/20/76/21/410207621.db2.gz GVZTYAFIRZPLTK-UHFFFAOYSA-N 1 1 320.349 1.006 20 5 DDBDMO CN(C)c1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000346910712 410241592 /nfs/dbraw/zinc/24/15/92/410241592.db2.gz CPCVIDICEXYUJW-UHFFFAOYSA-N 1 1 318.337 1.626 20 5 DDBDMO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347011819 410312562 /nfs/dbraw/zinc/31/25/62/410312562.db2.gz MNMPLZRQMTYPPW-AWEZNQCLSA-N 1 1 319.361 1.669 20 5 DDBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000351963926 410375544 /nfs/dbraw/zinc/37/55/44/410375544.db2.gz IIOHUWIVMVKKQP-LLVKDONJSA-N 1 1 309.370 1.702 20 5 DDBDMO C[C@H]1[C@@H](N2CCOCC2)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000351997799 410402645 /nfs/dbraw/zinc/40/26/45/410402645.db2.gz SNYMPGWFJWOWKC-AAEUAGOBSA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H]1[C@@H](N2CCOCC2)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000351997799 410402648 /nfs/dbraw/zinc/40/26/48/410402648.db2.gz SNYMPGWFJWOWKC-AAEUAGOBSA-N 1 1 311.407 1.951 20 5 DDBDMO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000351997799 410402653 /nfs/dbraw/zinc/40/26/53/410402653.db2.gz SNYMPGWFJWOWKC-AAEUAGOBSA-N 1 1 311.407 1.951 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343444149 410459243 /nfs/dbraw/zinc/45/92/43/410459243.db2.gz BACASZCRRBFRGP-JQWIXIFHSA-N 1 1 309.370 1.089 20 5 DDBDMO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000347313624 410465428 /nfs/dbraw/zinc/46/54/28/410465428.db2.gz IIUHGGSENQCYKO-CNELAYHGSA-N 1 1 321.377 1.820 20 5 DDBDMO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000347313624 410465434 /nfs/dbraw/zinc/46/54/34/410465434.db2.gz IIUHGGSENQCYKO-CNELAYHGSA-N 1 1 321.377 1.820 20 5 DDBDMO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355403925 410497088 /nfs/dbraw/zinc/49/70/88/410497088.db2.gz PFKCJWUKWOGAOJ-UHFFFAOYSA-N 1 1 313.273 1.904 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299212004 410571597 /nfs/dbraw/zinc/57/15/97/410571597.db2.gz HDSIMKBMLZIZAC-UHFFFAOYSA-N 1 1 321.377 1.698 20 5 DDBDMO COCC[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299230249 410573725 /nfs/dbraw/zinc/57/37/25/410573725.db2.gz RMVAAMYYUVEZRM-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291222 410602176 /nfs/dbraw/zinc/60/21/76/410602176.db2.gz XIRJIPVROBSPNP-WFASDCNBSA-N 1 1 321.377 1.881 20 5 DDBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000352291222 410602181 /nfs/dbraw/zinc/60/21/81/410602181.db2.gz XIRJIPVROBSPNP-WFASDCNBSA-N 1 1 321.377 1.881 20 5 DDBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](C)O ZINC000352202811 410544575 /nfs/dbraw/zinc/54/45/75/410544575.db2.gz MNIPCFRGUJJXTF-GFCCVEGCSA-N 1 1 309.366 1.935 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000359530177 410713673 /nfs/dbraw/zinc/71/36/73/410713673.db2.gz GVEPBBYVFSZIOI-UHFFFAOYSA-N 1 1 324.381 1.017 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353040144 410752353 /nfs/dbraw/zinc/75/23/53/410752353.db2.gz NIBAZDMKTGMDLQ-GOEBONIOSA-N 1 1 316.361 1.469 20 5 DDBDMO Cc1ccnc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301851253 410813325 /nfs/dbraw/zinc/81/33/25/410813325.db2.gz FQNFOHSQIWESEZ-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO Cc1ccnc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000301851253 410813326 /nfs/dbraw/zinc/81/33/26/410813326.db2.gz FQNFOHSQIWESEZ-STQMWFEESA-N 1 1 306.366 1.963 20 5 DDBDMO COC(=O)c1cnc(N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000302667678 410848271 /nfs/dbraw/zinc/84/82/71/410848271.db2.gz CNNIHVNALOSOBH-UHFFFAOYSA-N 1 1 320.349 1.451 20 5 DDBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000359768756 410862854 /nfs/dbraw/zinc/86/28/54/410862854.db2.gz WJFOXAWOJGCWFT-JTQLQIEISA-N 1 1 310.354 1.546 20 5 DDBDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353360737 410942356 /nfs/dbraw/zinc/94/23/56/410942356.db2.gz LIMSSPBDMGUYGM-XQRVVYSFSA-N 1 1 319.405 1.997 20 5 DDBDMO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000353360737 410942362 /nfs/dbraw/zinc/94/23/62/410942362.db2.gz LIMSSPBDMGUYGM-XQRVVYSFSA-N 1 1 319.405 1.997 20 5 DDBDMO COc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331053723 410921443 /nfs/dbraw/zinc/92/14/43/410921443.db2.gz JNVHOMPLGILSJB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331053723 410921446 /nfs/dbraw/zinc/92/14/46/410921446.db2.gz JNVHOMPLGILSJB-QWRGUYRKSA-N 1 1 307.350 1.768 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344184701 411013132 /nfs/dbraw/zinc/01/31/32/411013132.db2.gz RUDRAHNNXKSDHZ-UHFFFAOYSA-N 1 1 313.329 1.432 20 5 DDBDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556871 411015664 /nfs/dbraw/zinc/01/56/64/411015664.db2.gz QCPRJOWQPBLULT-YPMHNXCESA-N 1 1 310.350 1.957 20 5 DDBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000331426531 411084747 /nfs/dbraw/zinc/08/47/47/411084747.db2.gz XZWAFRJLCNNKKW-DGCLKSJQSA-N 1 1 319.365 1.097 20 5 DDBDMO C[NH2+][C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000133062044 196308513 /nfs/dbraw/zinc/30/85/13/196308513.db2.gz UPSNLDSKPOZUIW-VIFPVBQESA-N 1 1 303.322 1.295 20 5 DDBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731807 225044488 /nfs/dbraw/zinc/04/44/88/225044488.db2.gz ORGDMNPVXXSNTO-RYUDHWBXSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000416731807 225044491 /nfs/dbraw/zinc/04/44/91/225044491.db2.gz ORGDMNPVXXSNTO-RYUDHWBXSA-N 1 1 322.365 1.514 20 5 DDBDMO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000419000361 226002033 /nfs/dbraw/zinc/00/20/33/226002033.db2.gz OGAHVCDWMXBZHS-MNOVXSKESA-N 1 1 319.365 1.362 20 5 DDBDMO C[C@H](CO)[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373743605 418456365 /nfs/dbraw/zinc/45/63/65/418456365.db2.gz WYHCJROEHUIDRC-CQSZACIVSA-N 1 1 323.393 1.362 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366628409 418498443 /nfs/dbraw/zinc/49/84/43/418498443.db2.gz MULLPXMSJSHVIJ-HNNXBMFYSA-N 1 1 321.377 1.510 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366810985 418519839 /nfs/dbraw/zinc/51/98/39/418519839.db2.gz QQKQLROFQGJROF-SWHYSGLUSA-N 1 1 305.334 1.245 20 5 DDBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366810985 418519841 /nfs/dbraw/zinc/51/98/41/418519841.db2.gz QQKQLROFQGJROF-SWHYSGLUSA-N 1 1 305.334 1.245 20 5 DDBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000191840307 222110531 /nfs/dbraw/zinc/11/05/31/222110531.db2.gz YTMOVQFBUWUNFR-NXEZZACHSA-N 1 1 307.354 1.166 20 5 DDBDMO COc1cccc(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000192912517 222139304 /nfs/dbraw/zinc/13/93/04/222139304.db2.gz LKBYDKVOHMTFQC-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO COc1cccc(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000192912517 222139310 /nfs/dbraw/zinc/13/93/10/222139310.db2.gz LKBYDKVOHMTFQC-UHFFFAOYSA-N 1 1 323.349 1.056 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000375007215 418587338 /nfs/dbraw/zinc/58/73/38/418587338.db2.gz ZONKNGOWOMVPJM-CQSZACIVSA-N 1 1 315.377 1.817 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000375007215 418587340 /nfs/dbraw/zinc/58/73/40/418587340.db2.gz ZONKNGOWOMVPJM-CQSZACIVSA-N 1 1 315.377 1.817 20 5 DDBDMO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000195442319 222202527 /nfs/dbraw/zinc/20/25/27/222202527.db2.gz PDISVDSMHZSCCF-NSHDSACASA-N 1 1 319.361 1.818 20 5 DDBDMO CO[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000361369726 418637207 /nfs/dbraw/zinc/63/72/07/418637207.db2.gz LPOZHXREVDABKO-CYBMUJFWSA-N 1 1 305.334 1.205 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000361369726 418637209 /nfs/dbraw/zinc/63/72/09/418637209.db2.gz LPOZHXREVDABKO-CYBMUJFWSA-N 1 1 305.334 1.205 20 5 DDBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000367927432 418658491 /nfs/dbraw/zinc/65/84/91/418658491.db2.gz OHCFVTAFYIXWAF-LBPRGKRZSA-N 1 1 321.377 1.690 20 5 DDBDMO CCn1cc(CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000375726088 418677704 /nfs/dbraw/zinc/67/77/04/418677704.db2.gz GMYGQDAHZAFVSA-CQSZACIVSA-N 1 1 318.381 1.887 20 5 DDBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361630095 418693544 /nfs/dbraw/zinc/69/35/44/418693544.db2.gz SILWVMMRZGCPMN-NWDGAFQWSA-N 1 1 319.361 1.960 20 5 DDBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])C[C@H]21 ZINC000371559689 418800842 /nfs/dbraw/zinc/80/08/42/418800842.db2.gz AHDIACKQTAIOBH-GXFFZTMASA-N 1 1 304.350 1.343 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000371688063 418809560 /nfs/dbraw/zinc/80/95/60/418809560.db2.gz CLWUJUQLBRZLQK-ZIAGYGMSSA-N 1 1 324.377 1.429 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000365264494 418847851 /nfs/dbraw/zinc/84/78/51/418847851.db2.gz GIRSQDFDRBKWDR-SWLSCSKDSA-N 1 1 316.361 1.714 20 5 DDBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000372298893 418851832 /nfs/dbraw/zinc/85/18/32/418851832.db2.gz STPWUEODGMSDLF-OAHLLOKOSA-N 1 1 312.329 1.906 20 5 DDBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000372298893 418851834 /nfs/dbraw/zinc/85/18/34/418851834.db2.gz STPWUEODGMSDLF-OAHLLOKOSA-N 1 1 312.329 1.906 20 5 DDBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000365848497 418916160 /nfs/dbraw/zinc/91/61/60/418916160.db2.gz QFUIPEZKRCNXNL-MRXNPFEDSA-N 1 1 316.361 1.427 20 5 DDBDMO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411724177 419390981 /nfs/dbraw/zinc/39/09/81/419390981.db2.gz YMFTWGOZDKSRLO-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411724177 419390984 /nfs/dbraw/zinc/39/09/84/419390984.db2.gz YMFTWGOZDKSRLO-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO CC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913827 419366673 /nfs/dbraw/zinc/36/66/73/419366673.db2.gz GPXRHUQXQLSGAW-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000425913827 419366677 /nfs/dbraw/zinc/36/66/77/419366677.db2.gz GPXRHUQXQLSGAW-XHDPSFHLSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411958391 419525771 /nfs/dbraw/zinc/52/57/71/419525771.db2.gz UUHFWBAOEZGHAZ-LBPRGKRZSA-N 1 1 307.350 1.514 20 5 DDBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000418109208 419539036 /nfs/dbraw/zinc/53/90/36/419539036.db2.gz HXOVKGSHVRNCKP-IORUMNFESA-N 1 1 319.405 1.995 20 5 DDBDMO Cc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000418112744 419543531 /nfs/dbraw/zinc/54/35/31/419543531.db2.gz LNOXLYBBJPMREP-KBPBESRZSA-N 1 1 307.394 1.790 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421710479 419699236 /nfs/dbraw/zinc/69/92/36/419699236.db2.gz KVPSHHAESKRTLK-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO O=[N+]([O-])c1ncn(Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000421845146 419746914 /nfs/dbraw/zinc/74/69/14/419746914.db2.gz PQUHRGHNJHUVQE-UHFFFAOYSA-N 1 1 303.322 1.067 20 5 DDBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433189204 229169261 /nfs/dbraw/zinc/16/92/61/229169261.db2.gz DJOVJRQYTUDSDG-LBPRGKRZSA-N 1 1 314.411 1.635 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000430248474 420096311 /nfs/dbraw/zinc/09/63/11/420096311.db2.gz ZQKRBBPZMZWIOY-FZMZJTMJSA-N 1 1 310.350 1.575 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000430248474 420096314 /nfs/dbraw/zinc/09/63/14/420096314.db2.gz ZQKRBBPZMZWIOY-FZMZJTMJSA-N 1 1 310.350 1.575 20 5 DDBDMO C[NH2+]C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430605187 420155692 /nfs/dbraw/zinc/15/56/92/420155692.db2.gz QARJNIVNTDMAAJ-CYBMUJFWSA-N 1 1 320.393 1.855 20 5 DDBDMO C[NH2+]CCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000420389825 420256556 /nfs/dbraw/zinc/25/65/56/420256556.db2.gz PIUWGFDUYJZYBX-UHFFFAOYSA-N 1 1 308.382 1.773 20 5 DDBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000458159282 420642845 /nfs/dbraw/zinc/64/28/45/420642845.db2.gz DYMGIJVYVKDUTJ-GFCCVEGCSA-N 1 1 323.397 1.375 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000470182976 420931980 /nfs/dbraw/zinc/93/19/80/420931980.db2.gz LHFYVTZGTRSOBY-JAMFPYSNSA-N 1 1 319.361 1.573 20 5 DDBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000470182976 420931983 /nfs/dbraw/zinc/93/19/83/420931983.db2.gz LHFYVTZGTRSOBY-JAMFPYSNSA-N 1 1 319.361 1.573 20 5 DDBDMO COCC[N@H+]1CCC[C@H]1CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000450305627 421179477 /nfs/dbraw/zinc/17/94/77/421179477.db2.gz AXQOTBOCMYUPKD-LBPRGKRZSA-N 1 1 319.365 1.416 20 5 DDBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000456540321 421181012 /nfs/dbraw/zinc/18/10/12/421181012.db2.gz ZGKFTCPPVFKFMS-NSHDSACASA-N 1 1 309.370 1.368 20 5 DDBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1C[NH+]2CCN1CC2 ZINC000450391831 421191963 /nfs/dbraw/zinc/19/19/63/421191963.db2.gz NNLXNROHKPFATH-GFCCVEGCSA-N 1 1 313.361 1.555 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCCC[N@@H+]3CCO)[nH]c2c1 ZINC000450613305 421217206 /nfs/dbraw/zinc/21/72/06/421217206.db2.gz LQJFJAAUGADEBW-LBPRGKRZSA-N 1 1 319.365 1.152 20 5 DDBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561083115 421305371 /nfs/dbraw/zinc/30/53/71/421305371.db2.gz NFRBHOGIKMBLPC-NSHDSACASA-N 1 1 321.381 1.566 20 5 DDBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000548058500 421394959 /nfs/dbraw/zinc/39/49/59/421394959.db2.gz RIADYHQBPWQEQU-GHMZBOCLSA-N 1 1 321.381 1.422 20 5 DDBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000514610810 421440268 /nfs/dbraw/zinc/44/02/68/421440268.db2.gz ACZKGXLGTSFFTK-SNVBAGLBSA-N 1 1 319.365 1.319 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[N@H+]1C ZINC000563951890 421560101 /nfs/dbraw/zinc/56/01/01/421560101.db2.gz QGJWPDAQHNHJRZ-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[N@@H+]1C ZINC000563951890 421560103 /nfs/dbraw/zinc/56/01/03/421560103.db2.gz QGJWPDAQHNHJRZ-AOOOYVTPSA-N 1 1 321.333 1.488 20 5 DDBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000563989954 421564050 /nfs/dbraw/zinc/56/40/50/421564050.db2.gz OCBVGJBYIOMJFL-GFCCVEGCSA-N 1 1 306.366 1.559 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000531634752 421641181 /nfs/dbraw/zinc/64/11/81/421641181.db2.gz JOTPWECCMASVLG-VXGBXAGGSA-N 1 1 306.366 1.935 20 5 DDBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000571223224 421698701 /nfs/dbraw/zinc/69/87/01/421698701.db2.gz TUJULPIJANMGBL-KRWDZBQOSA-N 1 1 319.405 1.934 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000536639859 421723619 /nfs/dbraw/zinc/72/36/19/421723619.db2.gz APQSADAIZHZYTN-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO CNc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000536639859 421723621 /nfs/dbraw/zinc/72/36/21/421723621.db2.gz APQSADAIZHZYTN-MNOVXSKESA-N 1 1 306.366 1.801 20 5 DDBDMO C[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000520187028 421739308 /nfs/dbraw/zinc/73/93/08/421739308.db2.gz YQORIOQOWLRGCU-UHFFFAOYSA-N 1 1 307.306 1.148 20 5 DDBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000543767969 421841400 /nfs/dbraw/zinc/84/14/00/421841400.db2.gz ZGTHCZNQFDSXHT-NSHDSACASA-N 1 1 307.354 1.264 20 5 DDBDMO Cc1nc(N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596361112 422376733 /nfs/dbraw/zinc/37/67/33/422376733.db2.gz PRMPMOZHMIOHET-LBPRGKRZSA-N 1 1 309.414 1.982 20 5 DDBDMO Cc1nc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1[N+](=O)[O-] ZINC000596361112 422376738 /nfs/dbraw/zinc/37/67/38/422376738.db2.gz PRMPMOZHMIOHET-LBPRGKRZSA-N 1 1 309.414 1.982 20 5 DDBDMO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000342365435 271390803 /nfs/dbraw/zinc/39/08/03/271390803.db2.gz VYYKYQXPAUYICL-MNOVXSKESA-N 1 1 322.365 1.979 20 5 DDBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](CC)C(C)C)c1[N+](=O)[O-] ZINC000345577927 272282868 /nfs/dbraw/zinc/28/28/68/272282868.db2.gz WVDUQOLEWNZYQL-UHFFFAOYSA-N 1 1 311.386 1.731 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000319331328 274003973 /nfs/dbraw/zinc/00/39/73/274003973.db2.gz RQRARFNGMINGKT-SNVBAGLBSA-N 1 1 308.338 1.307 20 5 DDBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331216885 276041591 /nfs/dbraw/zinc/04/15/91/276041591.db2.gz PVNYOXLRRUJJDD-NXEZZACHSA-N 1 1 309.370 1.654 20 5 DDBDMO CC[N@H+](CCO)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000120011215 276349707 /nfs/dbraw/zinc/34/97/07/276349707.db2.gz JNYKGRHIGMVOTR-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000120011215 276349709 /nfs/dbraw/zinc/34/97/09/276349709.db2.gz JNYKGRHIGMVOTR-SNVBAGLBSA-N 1 1 311.338 1.245 20 5 DDBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)(C)C1 ZINC000408054496 277109042 /nfs/dbraw/zinc/10/90/42/277109042.db2.gz MFDOXQQPVHNPLZ-UHFFFAOYSA-N 1 1 321.377 1.987 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)CCCO)co2)cc1 ZINC000089897243 281027265 /nfs/dbraw/zinc/02/72/65/281027265.db2.gz LKRBRDNANJKSIX-UHFFFAOYSA-N 1 1 321.333 1.427 20 5 DDBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CCO)CCCO)co2)cc1 ZINC000089897243 281027266 /nfs/dbraw/zinc/02/72/66/281027266.db2.gz LKRBRDNANJKSIX-UHFFFAOYSA-N 1 1 321.333 1.427 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1 ZINC000353991328 298331586 /nfs/dbraw/zinc/33/15/86/298331586.db2.gz AVOPKSMFDRAQBV-LLVKDONJSA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362077235 300001546 /nfs/dbraw/zinc/00/15/46/300001546.db2.gz MZTZSQYNALTNMR-VXGBXAGGSA-N 1 1 307.350 1.484 20 5 DDBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362077233 300001550 /nfs/dbraw/zinc/00/15/50/300001550.db2.gz MZTZSQYNALTNMR-NWDGAFQWSA-N 1 1 307.350 1.484 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363104345 300212172 /nfs/dbraw/zinc/21/21/72/300212172.db2.gz OHGOWMDTQZUFLJ-CYBMUJFWSA-N 1 1 321.381 1.187 20 5 DDBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363564386 300282925 /nfs/dbraw/zinc/28/29/25/300282925.db2.gz TXAHQHKEHIWWFB-KGLIPLIRSA-N 1 1 303.362 1.880 20 5 DDBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CC3)CC2)c2nonc21 ZINC000364050216 300339153 /nfs/dbraw/zinc/33/91/53/300339153.db2.gz GERYGJUIRPODCD-UHFFFAOYSA-N 1 1 303.322 1.806 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1C1CCN(C)CC1 ZINC000364383749 300387683 /nfs/dbraw/zinc/38/76/83/300387683.db2.gz MPXBDTZNEXJFFM-ZDUSSCGKSA-N 1 1 319.409 1.595 20 5 DDBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C1CCN(C)CC1 ZINC000364383749 300387685 /nfs/dbraw/zinc/38/76/85/300387685.db2.gz MPXBDTZNEXJFFM-ZDUSSCGKSA-N 1 1 319.409 1.595 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000368596673 301061161 /nfs/dbraw/zinc/06/11/61/301061161.db2.gz VVHQXTMTTFQXKN-DOMZBBRYSA-N 1 1 303.362 1.690 20 5 DDBDMO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368998918 301117584 /nfs/dbraw/zinc/11/75/84/301117584.db2.gz CGPOCFCRLDOILB-LLVKDONJSA-N 1 1 309.370 1.343 20 5 DDBDMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368998918 301117585 /nfs/dbraw/zinc/11/75/85/301117585.db2.gz CGPOCFCRLDOILB-LLVKDONJSA-N 1 1 309.370 1.343 20 5 DDBDMO CC(C)C[N@H+]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000369310564 301161877 /nfs/dbraw/zinc/16/18/77/301161877.db2.gz RNSLWWCHVFGVIA-UHFFFAOYSA-N 1 1 320.393 1.981 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000375994948 302021087 /nfs/dbraw/zinc/02/10/87/302021087.db2.gz OJLALPCUDGNNMF-OUCADQQQSA-N 1 1 308.382 1.844 20 5 DDBDMO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377475391 302182393 /nfs/dbraw/zinc/18/23/93/302182393.db2.gz MBRLWJCLNUGEMC-KGLIPLIRSA-N 1 1 319.361 1.117 20 5 DDBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000531726631 303253304 /nfs/dbraw/zinc/25/33/04/303253304.db2.gz QXIZQSMBMSFAAQ-WCQYABFASA-N 1 1 306.366 1.490 20 5 DDBDMO Cc1c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000357632574 306900719 /nfs/dbraw/zinc/90/07/19/306900719.db2.gz ZJJDVPNJKIEUGK-GFCCVEGCSA-N 1 1 321.377 1.744 20 5 DDBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+]4CCC[C@H]4C3)nn21 ZINC000367303907 307091370 /nfs/dbraw/zinc/09/13/70/307091370.db2.gz ZKKIDGQLFXTFDD-NSHDSACASA-N 1 1 302.338 1.312 20 5 DDBDMO CNC(=O)CN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000368831670 307110882 /nfs/dbraw/zinc/11/08/82/307110882.db2.gz XPCZYZJZFLNFSM-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CNC(=O)CN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000368831670 307110883 /nfs/dbraw/zinc/11/08/83/307110883.db2.gz XPCZYZJZFLNFSM-UHFFFAOYSA-N 1 1 320.393 1.157 20 5 DDBDMO CCC[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373106603 307179004 /nfs/dbraw/zinc/17/90/04/307179004.db2.gz KWAQTQKDZXUVLX-UHFFFAOYSA-N 1 1 308.338 1.253 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608737 307191941 /nfs/dbraw/zinc/19/19/41/307191941.db2.gz DTVBFYPHPNCEIB-HLLBOEOZSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@@H+]1Cc1ccccc1 ZINC000373608737 307191942 /nfs/dbraw/zinc/19/19/42/307191942.db2.gz DTVBFYPHPNCEIB-HLLBOEOZSA-N 1 1 317.389 1.823 20 5 DDBDMO C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000373608737 307191943 /nfs/dbraw/zinc/19/19/43/307191943.db2.gz DTVBFYPHPNCEIB-HLLBOEOZSA-N 1 1 317.389 1.823 20 5 DDBDMO COc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000376642886 307251157 /nfs/dbraw/zinc/25/11/57/307251157.db2.gz MLLUEUZLLUSESB-FZMZJTMJSA-N 1 1 319.361 1.770 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000376673798 307253079 /nfs/dbraw/zinc/25/30/79/307253079.db2.gz SDPKXIKXAALMBD-TZMCWYRMSA-N 1 1 305.334 1.447 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000376673798 307253080 /nfs/dbraw/zinc/25/30/80/307253080.db2.gz SDPKXIKXAALMBD-TZMCWYRMSA-N 1 1 305.334 1.447 20 5 DDBDMO CNC(=O)c1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000391175255 307294092 /nfs/dbraw/zinc/29/40/92/307294092.db2.gz HRPZVBSLVSJZTF-LLVKDONJSA-N 1 1 318.377 1.851 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000573968120 308257529 /nfs/dbraw/zinc/25/75/29/308257529.db2.gz GMLBVFAIRYRGCM-OAHLLOKOSA-N 1 1 321.381 1.486 20 5 DDBDMO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000600271916 490384281 /nfs/dbraw/zinc/38/42/81/490384281.db2.gz KSYJLNKMPQZGBE-GFCCVEGCSA-N 1 1 307.350 1.356 20 5 DDBDMO COC(=O)c1ccc(OCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000270617876 490715089 /nfs/dbraw/zinc/71/50/89/490715089.db2.gz CQVBLQSGTAWJBT-UHFFFAOYSA-N 1 1 305.290 1.965 20 5 DDBDMO COC(=O)c1cnc(NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413439417 534306901 /nfs/dbraw/zinc/30/69/01/534306901.db2.gz NOCSLFPLRKFDGF-LLVKDONJSA-N 1 1 322.365 1.920 20 5 DDBDMO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764252 696907091 /nfs/dbraw/zinc/90/70/91/696907091.db2.gz QLLGWXPKIWECGS-ZIAGYGMSSA-N 1 1 307.394 1.542 20 5 DDBDMO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764252 696907094 /nfs/dbraw/zinc/90/70/94/696907094.db2.gz QLLGWXPKIWECGS-ZIAGYGMSSA-N 1 1 307.394 1.542 20 5 DDBDMO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764252 696907099 /nfs/dbraw/zinc/90/70/99/696907099.db2.gz QLLGWXPKIWECGS-ZIAGYGMSSA-N 1 1 307.394 1.542 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981138129 697015625 /nfs/dbraw/zinc/01/56/25/697015625.db2.gz LNAAXAWHSTUGFW-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981138129 697015628 /nfs/dbraw/zinc/01/56/28/697015628.db2.gz LNAAXAWHSTUGFW-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981138129 697015631 /nfs/dbraw/zinc/01/56/31/697015631.db2.gz LNAAXAWHSTUGFW-HUUCEWRRSA-N 1 1 309.410 1.766 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197737 700127954 /nfs/dbraw/zinc/12/79/54/700127954.db2.gz HWWXMFINDHZMAN-ZDUSSCGKSA-N 1 1 314.345 1.641 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000776582955 698121548 /nfs/dbraw/zinc/12/15/48/698121548.db2.gz XSCFOWVCVMUPSE-HIFRSBDPSA-N 1 1 322.361 1.713 20 5 DDBDMO COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000786193008 699133528 /nfs/dbraw/zinc/13/35/28/699133528.db2.gz VYNCWUNIDXTWLO-LSDHHAIUSA-N 1 1 310.350 1.366 20 5 DDBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000711786884 699259679 /nfs/dbraw/zinc/25/96/79/699259679.db2.gz TYJPSVLBDALVAU-KCJUWKMLSA-N 1 1 318.782 1.771 20 5 DDBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000729528431 699481628 /nfs/dbraw/zinc/48/16/28/699481628.db2.gz AUIBIBMLFQTZKY-GFCCVEGCSA-N 1 1 320.393 1.947 20 5 DDBDMO CCc1n[nH]c(C(=O)NCCn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000731808569 699537457 /nfs/dbraw/zinc/53/74/57/699537457.db2.gz AHJMVSAJRVPVSS-UHFFFAOYSA-N 1 1 320.353 1.630 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791255963 699617788 /nfs/dbraw/zinc/61/77/88/699617788.db2.gz AWMIERYDCUSQTN-TZMCWYRMSA-N 1 1 322.340 1.435 20 5 DDBDMO CC[N@H+](C[C@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738077783 699751991 /nfs/dbraw/zinc/75/19/91/699751991.db2.gz XDHDAEAERAANHA-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO CC[N@@H+](C[C@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738077783 699751993 /nfs/dbraw/zinc/75/19/93/699751993.db2.gz XDHDAEAERAANHA-LLVKDONJSA-N 1 1 321.333 1.819 20 5 DDBDMO CC[N@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146464 699861657 /nfs/dbraw/zinc/86/16/57/699861657.db2.gz FXZHBUSWCRVZLI-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO CC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146464 699861658 /nfs/dbraw/zinc/86/16/58/699861658.db2.gz FXZHBUSWCRVZLI-UHFFFAOYSA-N 1 1 305.338 1.779 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1C ZINC000801911958 700352236 /nfs/dbraw/zinc/35/22/36/700352236.db2.gz WNCUUOLZMFWUOS-IUCAKERBSA-N 1 1 310.329 1.529 20 5 DDBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757643433 700667283 /nfs/dbraw/zinc/66/72/83/700667283.db2.gz RLQRXNODJSVCMK-HNNXBMFYSA-N 1 1 303.362 1.964 20 5 DDBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000804778276 701212404 /nfs/dbraw/zinc/21/24/04/701212404.db2.gz RCRRTITVVUUBDL-JTQLQIEISA-N 1 1 324.356 1.920 20 5 DDBDMO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000839517582 701721955 /nfs/dbraw/zinc/72/19/55/701721955.db2.gz RZZHLJPQMORYBF-ARFHVFGLSA-N 1 1 317.389 1.605 20 5 DDBDMO CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000839517582 701721958 /nfs/dbraw/zinc/72/19/58/701721958.db2.gz RZZHLJPQMORYBF-ARFHVFGLSA-N 1 1 317.389 1.605 20 5 DDBDMO CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000839517582 701721960 /nfs/dbraw/zinc/72/19/60/701721960.db2.gz RZZHLJPQMORYBF-ARFHVFGLSA-N 1 1 317.389 1.605 20 5 DDBDMO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839689149 701784193 /nfs/dbraw/zinc/78/41/93/701784193.db2.gz KJRUVWAFVXYWDJ-OWCLPIDISA-N 1 1 317.389 1.995 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000839700198 701789631 /nfs/dbraw/zinc/78/96/31/701789631.db2.gz CUEOTLHVBXFTEC-ZGKBOVNRSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000839700198 701789635 /nfs/dbraw/zinc/78/96/35/701789635.db2.gz CUEOTLHVBXFTEC-ZGKBOVNRSA-N 1 1 303.362 1.431 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000839700198 701789639 /nfs/dbraw/zinc/78/96/39/701789639.db2.gz CUEOTLHVBXFTEC-ZGKBOVNRSA-N 1 1 303.362 1.431 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1(C)C ZINC000866113167 706622211 /nfs/dbraw/zinc/62/22/11/706622211.db2.gz VHOUPKIJDOOXIO-UHFFFAOYSA-N 1 1 306.366 1.614 20 5 DDBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@](C)(CO)C1 ZINC000879262752 706633524 /nfs/dbraw/zinc/63/35/24/706633524.db2.gz ZIIGSPRBXDKZJZ-ZNMIVQPWSA-N 1 1 310.350 1.100 20 5 DDBDMO CO[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000879318736 706647875 /nfs/dbraw/zinc/64/78/75/706647875.db2.gz ZXQJKCVZBWBBBP-DUVNUKRYSA-N 1 1 324.377 1.834 20 5 DDBDMO O=[N+]([O-])c1ccc([C@H](O)CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000843062800 702811110 /nfs/dbraw/zinc/81/11/10/702811110.db2.gz SHTBRKSEGNNHND-MRXNPFEDSA-N 1 1 323.393 1.065 20 5 DDBDMO O=C1NCCO[C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000879717945 706768692 /nfs/dbraw/zinc/76/86/92/706768692.db2.gz IPMYMPSAVXJLSN-LSDHHAIUSA-N 1 1 319.361 1.117 20 5 DDBDMO O=C1NCCO[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000879717945 706768694 /nfs/dbraw/zinc/76/86/94/706768694.db2.gz IPMYMPSAVXJLSN-LSDHHAIUSA-N 1 1 319.361 1.117 20 5 DDBDMO O=C1CC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844328 703868910 /nfs/dbraw/zinc/86/89/10/703868910.db2.gz VVWGGNHIXBTEKE-PWSUYJOCSA-N 1 1 306.322 1.182 20 5 DDBDMO O=C1CCC2=C(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852300568 704003694 /nfs/dbraw/zinc/00/36/94/704003694.db2.gz SIQCZBPDVTVKMZ-UHFFFAOYSA-N 1 1 317.345 1.843 20 5 DDBDMO CC(C)CC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000879759800 706782699 /nfs/dbraw/zinc/78/26/99/706782699.db2.gz GFOQHTOKDOKPOV-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO CC(C)CC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000879759800 706782701 /nfs/dbraw/zinc/78/27/01/706782701.db2.gz GFOQHTOKDOKPOV-UHFFFAOYSA-N 1 1 323.397 1.372 20 5 DDBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000819321830 704107434 /nfs/dbraw/zinc/10/74/34/704107434.db2.gz OGRPXRRHNZKITM-ABAIWWIYSA-N 1 1 302.334 1.498 20 5 DDBDMO CN(CC(F)(F)F)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870865426 704149467 /nfs/dbraw/zinc/14/94/67/704149467.db2.gz STLLLRBDWNVNPV-NSHDSACASA-N 1 1 305.256 1.789 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ncncc2C1 ZINC000880599579 707034634 /nfs/dbraw/zinc/03/46/34/707034634.db2.gz MVSJOOQDGYVKDD-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ncncc2C1 ZINC000880599579 707034638 /nfs/dbraw/zinc/03/46/38/707034638.db2.gz MVSJOOQDGYVKDD-UHFFFAOYSA-N 1 1 300.318 1.952 20 5 DDBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823970660 705347700 /nfs/dbraw/zinc/34/77/00/705347700.db2.gz GTSFGJNGYMAYJE-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824964403 705567896 /nfs/dbraw/zinc/56/78/96/705567896.db2.gz VWNOIOZLDZVTJC-CQSZACIVSA-N 1 1 309.366 1.475 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505812 705684066 /nfs/dbraw/zinc/68/40/66/705684066.db2.gz WJPDOLFFQPLBBE-WFASDCNBSA-N 1 1 321.377 1.476 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825676175 705712821 /nfs/dbraw/zinc/71/28/21/705712821.db2.gz SVXIGNOGWGMSKD-HNNXBMFYSA-N 1 1 321.377 1.571 20 5 DDBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826128924 705775060 /nfs/dbraw/zinc/77/50/60/705775060.db2.gz WOJMARZIEYJPRE-CABCVRRESA-N 1 1 321.377 1.427 20 5 DDBDMO C[NH2+]CCOCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863647586 705976086 /nfs/dbraw/zinc/97/60/86/705976086.db2.gz RAVWLMGBTGWYLU-UHFFFAOYSA-N 1 1 301.774 1.916 20 5 DDBDMO C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CC[NH2+]CC1=O ZINC000863658567 705978709 /nfs/dbraw/zinc/97/87/09/705978709.db2.gz QLMYIDPXKAIQGD-VIFPVBQESA-N 1 1 317.305 1.138 20 5 DDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827363507 705985604 /nfs/dbraw/zinc/98/56/04/705985604.db2.gz BBEAWCZSVYSKJX-IUODEOHRSA-N 1 1 319.361 1.526 20 5 DDBDMO C[C@@](O)(C[C@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303411 706352247 /nfs/dbraw/zinc/35/22/47/706352247.db2.gz PYUXGDIMAGHWMI-WMLDXEAASA-N 1 1 320.389 1.865 20 5 DDBDMO C[C@@](O)(C[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000878303411 706352248 /nfs/dbraw/zinc/35/22/48/706352248.db2.gz PYUXGDIMAGHWMI-WMLDXEAASA-N 1 1 320.389 1.865 20 5 DDBDMO O=C1NCC[C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000880529343 707006007 /nfs/dbraw/zinc/00/60/07/707006007.db2.gz KXXXSLPMKUJTRF-HIFRSBDPSA-N 1 1 303.362 1.738 20 5 DDBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000837611756 707695747 /nfs/dbraw/zinc/69/57/47/707695747.db2.gz GMNCJPJTUQDVIP-LLVKDONJSA-N 1 1 310.354 1.748 20 5 DDBDMO C[C@@](O)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000885937583 708666604 /nfs/dbraw/zinc/66/66/04/708666604.db2.gz DFZXYNPUAMLZTA-CYBMUJFWSA-N 1 1 316.308 1.128 20 5 DDBDMO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886006455 708680459 /nfs/dbraw/zinc/68/04/59/708680459.db2.gz RNAMWAIJCAADHY-CQSZACIVSA-N 1 1 318.377 1.967 20 5 DDBDMO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886006455 708680462 /nfs/dbraw/zinc/68/04/62/708680462.db2.gz RNAMWAIJCAADHY-CQSZACIVSA-N 1 1 318.377 1.967 20 5 DDBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000886281192 708735059 /nfs/dbraw/zinc/73/50/59/708735059.db2.gz UOLBDRODCAYVDC-CYBMUJFWSA-N 1 1 302.338 1.809 20 5 DDBDMO C[C@@H]1[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000928459993 713206131 /nfs/dbraw/zinc/20/61/31/713206131.db2.gz YYGSZSDOSAXUHI-ZWNOBZJWSA-N 1 1 317.349 1.153 20 5 DDBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1CO ZINC000894881093 711306995 /nfs/dbraw/zinc/30/69/95/711306995.db2.gz IRAHLWBGJMNFCI-JTQLQIEISA-N 1 1 301.293 1.645 20 5 DDBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1CO ZINC000894881093 711306999 /nfs/dbraw/zinc/30/69/99/711306999.db2.gz IRAHLWBGJMNFCI-JTQLQIEISA-N 1 1 301.293 1.645 20 5 DDBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000913535301 713248303 /nfs/dbraw/zinc/24/83/03/713248303.db2.gz FZFIZYHYIQJZSB-PHIMTYICSA-N 1 1 319.317 1.242 20 5 DDBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000913535301 713248304 /nfs/dbraw/zinc/24/83/04/713248304.db2.gz FZFIZYHYIQJZSB-PHIMTYICSA-N 1 1 319.317 1.242 20 5 DDBDMO CON(C)C(=O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000895046281 711384931 /nfs/dbraw/zinc/38/49/31/711384931.db2.gz HILFMTPJEGVYHN-UHFFFAOYSA-N 1 1 321.255 1.723 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245596 711463542 /nfs/dbraw/zinc/46/35/42/711463542.db2.gz GOMIIKIAYJDLQL-PWSUYJOCSA-N 1 1 310.402 1.166 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCSCC2)c1C ZINC000896326450 711706795 /nfs/dbraw/zinc/70/67/95/711706795.db2.gz ZBOAYQHKMFFFPJ-UHFFFAOYSA-N 1 1 323.418 1.990 20 5 DDBDMO Cc1ccc(NC(=O)C2CN(C)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000905032444 711913985 /nfs/dbraw/zinc/91/39/85/711913985.db2.gz LOPUCTPNMDPOTN-UHFFFAOYSA-N 1 1 306.366 1.335 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1C ZINC000908347228 712748212 /nfs/dbraw/zinc/74/82/12/712748212.db2.gz KRPHHXCWHVBQRK-TZMCWYRMSA-N 1 1 303.362 1.988 20 5 DDBDMO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000930202512 713777157 /nfs/dbraw/zinc/77/71/57/713777157.db2.gz WTNVJOJQWGVIEH-CYBMUJFWSA-N 1 1 309.366 1.471 20 5 DDBDMO O=[N+]([O-])CCN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000930849526 713936917 /nfs/dbraw/zinc/93/69/17/713936917.db2.gz NISJLVXVZGMSAN-CVEARBPZSA-N 1 1 305.378 1.238 20 5 DDBDMO COC1(OC)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000931632931 714144352 /nfs/dbraw/zinc/14/43/52/714144352.db2.gz DEQAEMIBSLUKBM-CYBMUJFWSA-N 1 1 314.313 1.290 20 5 DDBDMO COC1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000931632931 714144354 /nfs/dbraw/zinc/14/43/54/714144354.db2.gz DEQAEMIBSLUKBM-CYBMUJFWSA-N 1 1 314.313 1.290 20 5 DDBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000931721893 714169062 /nfs/dbraw/zinc/16/90/62/714169062.db2.gz WPQWWTOELQBWDM-IMJJTQAJSA-N 1 1 305.378 1.797 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000932346792 714315003 /nfs/dbraw/zinc/31/50/03/714315003.db2.gz KUWZHCYPKDBHCG-CHWSQXEVSA-N 1 1 310.350 1.445 20 5 DDBDMO CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932644238 714373667 /nfs/dbraw/zinc/37/36/67/714373667.db2.gz HKPUXNHGSIEVEU-TZMCWYRMSA-N 1 1 308.334 1.513 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933218345 714539559 /nfs/dbraw/zinc/53/95/59/714539559.db2.gz QVGVFUVUDKIYSE-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933218345 714539562 /nfs/dbraw/zinc/53/95/62/714539562.db2.gz QVGVFUVUDKIYSE-KGLIPLIRSA-N 1 1 307.350 1.229 20 5 DDBDMO COC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000933329468 714563585 /nfs/dbraw/zinc/56/35/85/714563585.db2.gz JCPKNKSIYRPADB-GFCCVEGCSA-N 1 1 323.349 1.271 20 5 DDBDMO COC[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000933329468 714563587 /nfs/dbraw/zinc/56/35/87/714563587.db2.gz JCPKNKSIYRPADB-GFCCVEGCSA-N 1 1 323.349 1.271 20 5 DDBDMO CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000933996582 714718206 /nfs/dbraw/zinc/71/82/06/714718206.db2.gz PXNWHGCECQNGLD-UHFFFAOYSA-N 1 1 322.409 1.153 20 5 DDBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)CCO ZINC000924999438 714721667 /nfs/dbraw/zinc/72/16/67/714721667.db2.gz OZQWHORYZAMFPL-UHFFFAOYSA-N 1 1 309.366 1.174 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)c1 ZINC000934104979 714742105 /nfs/dbraw/zinc/74/21/05/714742105.db2.gz APFMXUDUWLBOLA-KGLIPLIRSA-N 1 1 308.334 1.991 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CC[C@@H]2OC)c1 ZINC000934104979 714742107 /nfs/dbraw/zinc/74/21/07/714742107.db2.gz APFMXUDUWLBOLA-KGLIPLIRSA-N 1 1 308.334 1.991 20 5 DDBDMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cs1 ZINC000934258096 714777916 /nfs/dbraw/zinc/77/79/16/714777916.db2.gz PWLFCIIGQNUBOP-CHWSQXEVSA-N 1 1 311.407 1.687 20 5 DDBDMO CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935479319 715065659 /nfs/dbraw/zinc/06/56/59/715065659.db2.gz SQXNEUMYGXWSBY-LSDHHAIUSA-N 1 1 303.362 1.907 20 5 DDBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001121198265 782404704 /nfs/dbraw/zinc/40/47/04/782404704.db2.gz GKCMRVLRHFYRKH-IHRRRGAJSA-N 1 1 303.362 1.594 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)C1 ZINC001121288400 782442688 /nfs/dbraw/zinc/44/26/88/782442688.db2.gz CYDDJYPFDMKZFX-ZDUSSCGKSA-N 1 1 324.429 1.193 20 5 DDBDMO CC[N@H+]1CCCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001121373653 782478854 /nfs/dbraw/zinc/47/88/54/782478854.db2.gz LFRUJCFBEZQPSL-UHFFFAOYSA-N 1 1 319.369 1.250 20 5 DDBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029304635 740550230 /nfs/dbraw/zinc/55/02/30/740550230.db2.gz CZLBEVJGSOKNBQ-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001029304635 740550232 /nfs/dbraw/zinc/55/02/32/740550232.db2.gz CZLBEVJGSOKNBQ-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001029304635 740550234 /nfs/dbraw/zinc/55/02/34/740550234.db2.gz CZLBEVJGSOKNBQ-QKPAOTATSA-N 1 1 321.421 1.907 20 5 DDBDMO COc1c(O)ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001184387307 744031368 /nfs/dbraw/zinc/03/13/68/744031368.db2.gz IVUBZHDSDNQJDB-FRRDWIJNSA-N 1 1 321.377 1.739 20 5 DDBDMO Cc1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001196907726 747005641 /nfs/dbraw/zinc/00/56/41/747005641.db2.gz NBUJEVPDRIVBAJ-HNNXBMFYSA-N 1 1 302.334 1.691 20 5 DDBDMO COC(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197660398 747225332 /nfs/dbraw/zinc/22/53/32/747225332.db2.gz NSAYYRJGWARKMI-AAEUAGOBSA-N 1 1 309.322 1.059 20 5 DDBDMO COC(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001197660398 747225339 /nfs/dbraw/zinc/22/53/39/747225339.db2.gz NSAYYRJGWARKMI-AAEUAGOBSA-N 1 1 309.322 1.059 20 5 DDBDMO CNC(=O)N[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197748165 747256866 /nfs/dbraw/zinc/25/68/66/747256866.db2.gz FUHOXDCGGBAONO-GFCCVEGCSA-N 1 1 322.365 1.367 20 5 DDBDMO CC[N@@H+](CCC(=O)NC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001198362442 747464739 /nfs/dbraw/zinc/46/47/39/747464739.db2.gz FEJDGXAMZVLHLN-UHFFFAOYSA-N 1 1 322.365 1.381 20 5 DDBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997770737 751271328 /nfs/dbraw/zinc/27/13/28/751271328.db2.gz YDVIHHRHWSMRKJ-VXGBXAGGSA-N 1 1 324.406 1.137 20 5 DDBDMO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2c1cnn2C ZINC001169019488 762199929 /nfs/dbraw/zinc/19/99/29/762199929.db2.gz ISKAINDYZWOEGU-HZSPNIEDSA-N 1 1 322.409 1.801 20 5 DDBDMO O=C(N1CCCC1)C12CC(C1)C[N@@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026251 762203177 /nfs/dbraw/zinc/20/31/77/762203177.db2.gz WOEASBNNHKOJIK-PGOFDVKTSA-N 1 1 307.394 1.519 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055297 762210308 /nfs/dbraw/zinc/21/03/08/762210308.db2.gz PBRHVCPJGUSICP-RWMBFGLXSA-N 1 1 300.355 1.086 20 5 DDBDMO COC(=O)CC[C@@H]1COCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055297 762210310 /nfs/dbraw/zinc/21/03/10/762210310.db2.gz PBRHVCPJGUSICP-RWMBFGLXSA-N 1 1 300.355 1.086 20 5 DDBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084214 760945060 /nfs/dbraw/zinc/94/50/60/760945060.db2.gz ICMUPYPDWRBNDT-LXTVHRRPSA-N 1 1 309.410 1.716 20 5 DDBDMO Cc1nc(Cl)nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001157261461 764729496 /nfs/dbraw/zinc/72/94/96/764729496.db2.gz RJNHITOONJUISB-UWVGGRQHSA-N 1 1 311.773 1.877 20 5 DDBDMO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001170981380 772013628 /nfs/dbraw/zinc/01/36/28/772013628.db2.gz XCSORZBTIRPWPT-AXFHLTTASA-N 1 1 320.349 1.671 20 5 DDBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](C3CCC3)CC2)n1 ZINC001136768426 772138257 /nfs/dbraw/zinc/13/82/57/772138257.db2.gz CBBMCHINPPAWHF-UHFFFAOYSA-N 1 1 304.350 1.609 20 5 DDBDMO CC[N@@H+](C)CCC(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094573830 776049552 /nfs/dbraw/zinc/04/95/52/776049552.db2.gz HTGLOVWVCSCNSR-UHFFFAOYSA-N 1 1 309.370 1.250 20 5 DDBDMO Cc1ccc(C[N@@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cc1[N+](=O)[O-] ZINC001171746261 776441842 /nfs/dbraw/zinc/44/18/42/776441842.db2.gz VJDWDDHISLRHKA-QWHCGFSZSA-N 1 1 305.334 1.834 20 5 DDBDMO Cc1ccc(C[N@H+]2CC[C@H]3COC(=O)N[C@@H]3C2)cc1[N+](=O)[O-] ZINC001171746261 776441851 /nfs/dbraw/zinc/44/18/51/776441851.db2.gz VJDWDDHISLRHKA-QWHCGFSZSA-N 1 1 305.334 1.834 20 5 DDBDMO CN1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172907722 776918335 /nfs/dbraw/zinc/91/83/35/776918335.db2.gz HTUMYLPHWJRARA-AWEZNQCLSA-N 1 1 303.362 1.616 20 5 DDBDMO CN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172907722 776918343 /nfs/dbraw/zinc/91/83/43/776918343.db2.gz HTUMYLPHWJRARA-AWEZNQCLSA-N 1 1 303.362 1.616 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173227214 777062580 /nfs/dbraw/zinc/06/25/80/777062580.db2.gz OJTNPPXIAJJMPZ-SMDDNHRTSA-N 1 1 312.391 1.645 20 5 DDBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173227214 777062582 /nfs/dbraw/zinc/06/25/82/777062582.db2.gz OJTNPPXIAJJMPZ-SMDDNHRTSA-N 1 1 312.391 1.645 20 5 DDBDMO CCC[N@@H+](C)CCC(=O)N(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC001101712685 777424337 /nfs/dbraw/zinc/42/43/37/777424337.db2.gz HTKDAYISWNFGFA-UHFFFAOYSA-N 1 1 323.397 1.592 20 5 DDBDMO C[NH+](C)Cc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)no1 ZINC001120352768 781889459 /nfs/dbraw/zinc/88/94/59/781889459.db2.gz DHVLJQYQHAACED-UHFFFAOYSA-N 1 1 316.317 1.847 20 5 DDBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCCCCF)CC1 ZINC001270225648 842401161 /nfs/dbraw/zinc/40/11/61/842401161.db2.gz LRIAMVMNIYQHDM-CHWSQXEVSA-N 1 1 315.389 1.762 20 5 DDBDMO Cc1nc(NCC2(N(C)C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001156176392 862777567 /nfs/dbraw/zinc/77/75/67/862777567.db2.gz LQRYZHHQEMYXKL-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CCCCC1 ZINC001122822517 858981793 /nfs/dbraw/zinc/98/17/93/858981793.db2.gz WDAONCUZFGLKKV-UHFFFAOYSA-N 1 1 309.370 1.114 20 5 DDBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001157621053 863980720 /nfs/dbraw/zinc/98/07/20/863980720.db2.gz UIFPXGPEYQBEJQ-BZNIZROVSA-N 1 1 318.377 1.660 20 5 DDBDMO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001157775227 864128456 /nfs/dbraw/zinc/12/84/56/864128456.db2.gz LPDHDLGJYAEACT-CHWSQXEVSA-N 1 1 311.407 1.626 20 5 DDBDMO CCc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157775281 864131711 /nfs/dbraw/zinc/13/17/11/864131711.db2.gz NMQBOGBJFBNCBG-HZPDHXFCSA-N 1 1 319.405 1.553 20 5 DDBDMO N[C@@H](CCC[NH3+])Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001159788821 865524876 /nfs/dbraw/zinc/52/48/76/865524876.db2.gz MPZWYXBMOSXBFE-CYBMUJFWSA-N 1 1 320.328 1.627 20 5 DDBDMO Nc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC001160724982 866074278 /nfs/dbraw/zinc/07/42/78/866074278.db2.gz NMQYNTXITJZPPM-STQMWFEESA-N 1 1 307.354 1.237 20 5 DDBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC001320080721 866458300 /nfs/dbraw/zinc/45/83/00/866458300.db2.gz LLIAVZGHETUNQD-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC001320080721 866458301 /nfs/dbraw/zinc/45/83/01/866458301.db2.gz LLIAVZGHETUNQD-UONOGXRCSA-N 1 1 307.350 1.229 20 5 DDBDMO COc1cc(NCCC[NH+]2CCN(C)CC2)cnc1[N+](=O)[O-] ZINC001161709700 866921857 /nfs/dbraw/zinc/92/18/57/866921857.db2.gz FNTIJBAONRFYJQ-UHFFFAOYSA-N 1 1 309.370 1.048 20 5 DDBDMO C[N@@H+]1CCc2c(NCC(=O)NC3CC3)ccc([N+](=O)[O-])c2C1 ZINC001161897882 867080801 /nfs/dbraw/zinc/08/08/01/867080801.db2.gz VRTIPZLOJOKLOF-UHFFFAOYSA-N 1 1 304.350 1.273 20 5 DDBDMO C[N@H+]1CCc2c(NCC(=O)NC3CC3)ccc([N+](=O)[O-])c2C1 ZINC001161897882 867080819 /nfs/dbraw/zinc/08/08/19/867080819.db2.gz VRTIPZLOJOKLOF-UHFFFAOYSA-N 1 1 304.350 1.273 20 5 DDBDMO C[N@@H+]1CCO[C@@H](CNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001162689391 867738282 /nfs/dbraw/zinc/73/82/82/867738282.db2.gz FILYUIMRDNKPCC-ZDUSSCGKSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@H+]1CCO[C@@H](CNc2cc3cccnc3c([N+](=O)[O-])c2)C1 ZINC001162689391 867738300 /nfs/dbraw/zinc/73/83/00/867738300.db2.gz FILYUIMRDNKPCC-ZDUSSCGKSA-N 1 1 302.334 1.886 20 5 DDBDMO C[N@@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](c2ccccc2)C1 ZINC001163668764 868611084 /nfs/dbraw/zinc/61/10/84/868611084.db2.gz DUYFTYCLTONGJZ-OAHLLOKOSA-N 1 1 314.345 1.721 20 5 DDBDMO C[N@H+]1CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H](c2ccccc2)C1 ZINC001163668764 868611091 /nfs/dbraw/zinc/61/10/91/868611091.db2.gz DUYFTYCLTONGJZ-OAHLLOKOSA-N 1 1 314.345 1.721 20 5 DDBDMO COc1c(O)ccc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001336813277 869159581 /nfs/dbraw/zinc/15/95/81/869159581.db2.gz PMLCHDQIIZKRHG-CMPLNLGQSA-N 1 1 307.350 1.445 20 5 DDBDMO COC(=O)Cc1ccc(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001226213699 882283092 /nfs/dbraw/zinc/28/30/92/882283092.db2.gz FTWKUEIRTOLYTK-LBPRGKRZSA-N 1 1 308.334 1.783 20 5 DDBDMO Cn1ccc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001317470688 870891885 /nfs/dbraw/zinc/89/18/85/870891885.db2.gz WGOFBXZYPPLFRM-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO Cn1ccc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001317470688 870891893 /nfs/dbraw/zinc/89/18/93/870891893.db2.gz WGOFBXZYPPLFRM-UHFFFAOYSA-N 1 1 317.349 1.190 20 5 DDBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001340124499 870906229 /nfs/dbraw/zinc/90/62/29/870906229.db2.gz TXWUGSXWXVWOAL-VXGBXAGGSA-N 1 1 310.402 1.412 20 5 DDBDMO CC[C@H](C(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC001302304393 871054706 /nfs/dbraw/zinc/05/47/06/871054706.db2.gz WLYHZALIWZJCGO-LLVKDONJSA-N 1 1 323.349 1.243 20 5 DDBDMO C[N@@H+]1[C@@H]2C[C@H](Oc3cc(Cl)c([N+](=O)[O-])cn3)[C@H]1CC(=O)C2 ZINC001226915491 882717938 /nfs/dbraw/zinc/71/79/38/882717938.db2.gz KTSXKBJMMYWYJA-KOLSJAJHSA-N 1 1 311.725 1.826 20 5 DDBDMO C[N@H+]1[C@@H]2C[C@H](Oc3cc(Cl)c([N+](=O)[O-])cn3)[C@H]1CC(=O)C2 ZINC001226915491 882717942 /nfs/dbraw/zinc/71/79/42/882717942.db2.gz KTSXKBJMMYWYJA-KOLSJAJHSA-N 1 1 311.725 1.826 20 5 DDBDMO COC(=O)c1cnc(NCCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC001347773070 874270732 /nfs/dbraw/zinc/27/07/32/874270732.db2.gz SQEKEWHCFBISFR-UHFFFAOYSA-N 1 1 305.294 1.165 20 5 DDBDMO CC[N@H+]1C[C@H](C)N(c2nnc(C[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001358057080 880309771 /nfs/dbraw/zinc/30/97/71/880309771.db2.gz HAQALPNFXSKUHY-STQMWFEESA-N 1 1 324.429 1.630 20 5 DDBDMO CC[N@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229368139 883949067 /nfs/dbraw/zinc/94/90/67/883949067.db2.gz WYYFWUAQYIARTN-SECBINFHSA-N 1 1 304.306 1.717 20 5 DDBDMO CO[C@@H]1CC[N@@H+](CCOc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC001230314046 884427851 /nfs/dbraw/zinc/42/78/51/884427851.db2.gz CTXSULIQRFABJS-SNVBAGLBSA-N 1 1 311.294 1.603 20 5 DDBDMO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608192 896530496 /nfs/dbraw/zinc/53/04/96/896530496.db2.gz PGQNOMMONJWUSZ-HYVNUMGLSA-N 1 1 301.390 1.946 20 5 DDBDMO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608192 896530510 /nfs/dbraw/zinc/53/05/10/896530510.db2.gz PGQNOMMONJWUSZ-HYVNUMGLSA-N 1 1 301.390 1.946 20 5 DDBDMO COc1cc(N2CCC([NH+]3CC(O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093245 897280843 /nfs/dbraw/zinc/28/08/43/897280843.db2.gz IVLCMWMKNREVSM-UHFFFAOYSA-N 1 1 307.350 1.249 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305761235 231042283 /nfs/dbraw/zinc/04/22/83/231042283.db2.gz LIASSDBOXRMLCT-NHYWBVRUSA-N 1 1 321.377 1.935 20 5 DDBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451997254 231263043 /nfs/dbraw/zinc/26/30/43/231263043.db2.gz QZZUIUZCNYGOID-AWEZNQCLSA-N 1 1 320.393 1.873 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452073134 231289887 /nfs/dbraw/zinc/28/98/87/231289887.db2.gz YKGHVHLIJPLEDC-GXFFZTMASA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000452073134 231289892 /nfs/dbraw/zinc/28/98/92/231289892.db2.gz YKGHVHLIJPLEDC-GXFFZTMASA-N 1 1 307.350 1.544 20 5 DDBDMO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614894892 362066900 /nfs/dbraw/zinc/06/69/00/362066900.db2.gz LRABOULHZYJKHX-UHFFFAOYSA-N 1 1 321.377 1.052 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ncccc2F)c1 ZINC000563704743 303971772 /nfs/dbraw/zinc/97/17/72/303971772.db2.gz ASLCXXANTGXRMN-LBPRGKRZSA-N 1 1 321.308 1.658 20 5 DDBDMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272763720 210167130 /nfs/dbraw/zinc/16/71/30/210167130.db2.gz WBAOFVNKUJJREI-UHFFFAOYSA-N 1 1 307.354 1.938 20 5 DDBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000330889535 232140381 /nfs/dbraw/zinc/14/03/81/232140381.db2.gz BJXQGIRQTPTWCZ-ZWNOBZJWSA-N 1 1 323.397 1.397 20 5 DDBDMO COc1cc(C[NH2+]C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000616487186 362721320 /nfs/dbraw/zinc/72/13/20/362721320.db2.gz ADBIFTWBICMOMZ-SNVBAGLBSA-N 1 1 310.228 1.322 20 5 DDBDMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582821 210000269 /nfs/dbraw/zinc/00/02/69/210000269.db2.gz UKZSLMFTBDSIEX-NSHDSACASA-N 1 1 307.350 1.714 20 5 DDBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272582821 210000273 /nfs/dbraw/zinc/00/02/73/210000273.db2.gz UKZSLMFTBDSIEX-NSHDSACASA-N 1 1 307.350 1.714 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000279946088 215260620 /nfs/dbraw/zinc/26/06/20/215260620.db2.gz HYWYGQWQOOSCGL-UHFFFAOYSA-N 1 1 305.334 1.595 20 5 DDBDMO C[C@H]1CSCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181902570 186216785 /nfs/dbraw/zinc/21/67/85/186216785.db2.gz PZPFXNFINAYNEN-RYUDHWBXSA-N 1 1 312.391 1.772 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](O)C1 ZINC000041886283 352317558 /nfs/dbraw/zinc/31/75/58/352317558.db2.gz YPAKYRCCMLCUDM-ZDUSSCGKSA-N 1 1 307.350 1.689 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000041951217 352319796 /nfs/dbraw/zinc/31/97/96/352319796.db2.gz LVBMDWDRYWRRRE-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CCN1CC[NH+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000041443589 352308444 /nfs/dbraw/zinc/30/84/44/352308444.db2.gz BTHRCDNKNVOQJP-UHFFFAOYSA-N 1 1 320.393 1.352 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491564789 234204885 /nfs/dbraw/zinc/20/48/85/234204885.db2.gz ZAIKOVMKVHMVPY-GJBLVYBDSA-N 1 1 319.361 1.445 20 5 DDBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000060567937 352876721 /nfs/dbraw/zinc/87/67/21/352876721.db2.gz DHVZYKURDPKTGB-STQMWFEESA-N 1 1 319.361 1.717 20 5 DDBDMO COc1ccc(OCC[N@@H+](C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000173456774 198216695 /nfs/dbraw/zinc/21/66/95/198216695.db2.gz QUUWPPBPDQPCLI-UHFFFAOYSA-N 1 1 320.349 1.848 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000174645630 198364697 /nfs/dbraw/zinc/36/46/97/198364697.db2.gz NWSRAKGOBRQMNQ-OAHLLOKOSA-N 1 1 302.334 1.211 20 5 DDBDMO CNC(=O)c1ccc(NCCCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000078333264 353511135 /nfs/dbraw/zinc/51/11/35/353511135.db2.gz TULKIVROYPKMOI-UHFFFAOYSA-N 1 1 317.349 1.962 20 5 DDBDMO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000093064736 353884289 /nfs/dbraw/zinc/88/42/89/353884289.db2.gz SUAKRCKROVPJES-UONOGXRCSA-N 1 1 304.350 1.079 20 5 DDBDMO C[N@H+](CCCO)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093394638 353899645 /nfs/dbraw/zinc/89/96/45/353899645.db2.gz JZPOWOXWUYJNOH-UHFFFAOYSA-N 1 1 323.393 1.579 20 5 DDBDMO C[N@@H+](CCCO)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093394638 353899650 /nfs/dbraw/zinc/89/96/50/353899650.db2.gz JZPOWOXWUYJNOH-UHFFFAOYSA-N 1 1 323.393 1.579 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000277039176 213257530 /nfs/dbraw/zinc/25/75/30/213257530.db2.gz HBIMQNHJZWFVRB-SMDDNHRTSA-N 1 1 319.361 1.770 20 5 DDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000157514849 354225427 /nfs/dbraw/zinc/22/54/27/354225427.db2.gz GGKZTTCZVMWCFS-ZANVPECISA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000157514849 354225429 /nfs/dbraw/zinc/22/54/29/354225429.db2.gz GGKZTTCZVMWCFS-ZANVPECISA-N 1 1 311.313 1.183 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C1CC1 ZINC000305721029 354471247 /nfs/dbraw/zinc/47/12/47/354471247.db2.gz IIVOKQRTTSZROA-IINYFYTJSA-N 1 1 307.350 1.625 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C1CC1 ZINC000305721029 354471248 /nfs/dbraw/zinc/47/12/48/354471248.db2.gz IIVOKQRTTSZROA-IINYFYTJSA-N 1 1 307.350 1.625 20 5 DDBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589503690 354997743 /nfs/dbraw/zinc/99/77/43/354997743.db2.gz YFXXOFNDXMZPEO-UHFFFAOYSA-N 1 1 323.349 1.339 20 5 DDBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655918 355138611 /nfs/dbraw/zinc/13/86/11/355138611.db2.gz MZFNRPSVYUMKFS-DGCLKSJQSA-N 1 1 322.361 1.959 20 5 DDBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])s1 ZINC000601319467 358494037 /nfs/dbraw/zinc/49/40/37/358494037.db2.gz AXZIRYGWOHCPEL-SECBINFHSA-N 1 1 319.408 1.337 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332655732 235249360 /nfs/dbraw/zinc/24/93/60/235249360.db2.gz VPKMKKBQWMATET-LLVKDONJSA-N 1 1 305.334 1.524 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000592256414 355548319 /nfs/dbraw/zinc/54/83/19/355548319.db2.gz YYVKIUTXUBTMKW-NEPJUHHUSA-N 1 1 321.381 1.478 20 5 DDBDMO CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828686 355704763 /nfs/dbraw/zinc/70/47/63/355704763.db2.gz HXVCOXXEHNZCCA-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000592828686 355704764 /nfs/dbraw/zinc/70/47/64/355704764.db2.gz HXVCOXXEHNZCCA-LBPRGKRZSA-N 1 1 307.350 1.857 20 5 DDBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000593018888 355771280 /nfs/dbraw/zinc/77/12/80/355771280.db2.gz BRLLJQBFZKGJGX-NEPJUHHUSA-N 1 1 321.377 1.906 20 5 DDBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CC)CO1 ZINC000593060281 355783712 /nfs/dbraw/zinc/78/37/12/355783712.db2.gz ZYKUJZVPGOESJM-FPMFFAJLSA-N 1 1 312.370 1.042 20 5 DDBDMO C[C@@H]1[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593187720 355819807 /nfs/dbraw/zinc/81/98/07/355819807.db2.gz OIVRHKYZESLSSV-XQQFMLRXSA-N 1 1 321.377 1.913 20 5 DDBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000593485967 355900115 /nfs/dbraw/zinc/90/01/15/355900115.db2.gz DRZSJBMUUCYXHG-ZWNOBZJWSA-N 1 1 309.341 1.875 20 5 DDBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC000593876828 356036112 /nfs/dbraw/zinc/03/61/12/356036112.db2.gz VDDNRVUUSVTUIV-UHFFFAOYSA-N 1 1 310.354 1.106 20 5 DDBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC000593876828 356036115 /nfs/dbraw/zinc/03/61/15/356036115.db2.gz VDDNRVUUSVTUIV-UHFFFAOYSA-N 1 1 310.354 1.106 20 5 DDBDMO COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000593969920 356077020 /nfs/dbraw/zinc/07/70/20/356077020.db2.gz GNYIHCASRJFJJM-OLZOCXBDSA-N 1 1 311.382 1.185 20 5 DDBDMO O=[N+]([O-])c1cc(F)c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000594025462 356093127 /nfs/dbraw/zinc/09/31/27/356093127.db2.gz MTBUFQZPENJHTH-WDEREUQCSA-N 1 1 313.304 1.124 20 5 DDBDMO CCOc1cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594026016 356093347 /nfs/dbraw/zinc/09/33/47/356093347.db2.gz XANIQGLDOUENDC-UONOGXRCSA-N 1 1 321.377 1.244 20 5 DDBDMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594418562 356203705 /nfs/dbraw/zinc/20/37/05/356203705.db2.gz KDZXQNSEIRHDJO-NEPJUHHUSA-N 1 1 321.381 1.627 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1n[nH]c(C)n1 ZINC000595033451 356375144 /nfs/dbraw/zinc/37/51/44/356375144.db2.gz LVXJBAAUKWBULA-VIFPVBQESA-N 1 1 305.338 1.923 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nnc(C)[nH]1 ZINC000595033451 356375145 /nfs/dbraw/zinc/37/51/45/356375145.db2.gz LVXJBAAUKWBULA-VIFPVBQESA-N 1 1 305.338 1.923 20 5 DDBDMO CO[C@@]1(CO)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595663747 356599336 /nfs/dbraw/zinc/59/93/36/356599336.db2.gz UGFLRVDOLCYFOS-HNNXBMFYSA-N 1 1 310.350 1.447 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741709 356631169 /nfs/dbraw/zinc/63/11/69/356631169.db2.gz DCMWJXGXHHLLFO-ATCWAGBWSA-N 1 1 321.377 1.790 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741709 356631170 /nfs/dbraw/zinc/63/11/70/356631170.db2.gz DCMWJXGXHHLLFO-ATCWAGBWSA-N 1 1 321.377 1.790 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741702 356631197 /nfs/dbraw/zinc/63/11/97/356631197.db2.gz DBUWNENQQZKHKS-ZAZJYDDPSA-N 1 1 321.377 1.871 20 5 DDBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741702 356631198 /nfs/dbraw/zinc/63/11/98/356631198.db2.gz DBUWNENQQZKHKS-ZAZJYDDPSA-N 1 1 321.377 1.871 20 5 DDBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595737068 356629398 /nfs/dbraw/zinc/62/93/98/356629398.db2.gz GOECIWRFBOWWRU-STQMWFEESA-N 1 1 319.361 1.574 20 5 DDBDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595771471 356645901 /nfs/dbraw/zinc/64/59/01/356645901.db2.gz PKEUKCPIBCBDEC-GXFFZTMASA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@]12COC[C@H]1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755611 356636933 /nfs/dbraw/zinc/63/69/33/356636933.db2.gz BJOQBJIHWVLDEH-BMIGLBTASA-N 1 1 302.334 1.939 20 5 DDBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 ZINC000595755611 356636935 /nfs/dbraw/zinc/63/69/35/356636935.db2.gz BJOQBJIHWVLDEH-BMIGLBTASA-N 1 1 302.334 1.939 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595880770 356689161 /nfs/dbraw/zinc/68/91/61/356689161.db2.gz ZBVMGICFWAKHGC-XHBSWPGZSA-N 1 1 321.377 1.872 20 5 DDBDMO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111929 356775822 /nfs/dbraw/zinc/77/58/22/356775822.db2.gz DRWKXYBZHWGIEE-UHFFFAOYSA-N 1 1 322.365 1.216 20 5 DDBDMO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596111929 356775826 /nfs/dbraw/zinc/77/58/26/356775826.db2.gz DRWKXYBZHWGIEE-UHFFFAOYSA-N 1 1 322.365 1.216 20 5 DDBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596163184 356797925 /nfs/dbraw/zinc/79/79/25/356797925.db2.gz QDQGZGPQBRBEEW-TVQRCGJNSA-N 1 1 304.350 1.588 20 5 DDBDMO C[C@H]1C[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)CO1 ZINC000596432694 356878724 /nfs/dbraw/zinc/87/87/24/356878724.db2.gz RTUXGABZVDQRSF-QWRGUYRKSA-N 1 1 324.381 1.190 20 5 DDBDMO C[C@H]1C[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H](C)CO1 ZINC000596432694 356878726 /nfs/dbraw/zinc/87/87/26/356878726.db2.gz RTUXGABZVDQRSF-QWRGUYRKSA-N 1 1 324.381 1.190 20 5 DDBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CSC[NH2+]1 ZINC000237257673 202208597 /nfs/dbraw/zinc/20/85/97/202208597.db2.gz HPZPEFTYBSYUMY-LLVKDONJSA-N 1 1 315.782 1.869 20 5 DDBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597859171 357360791 /nfs/dbraw/zinc/36/07/91/357360791.db2.gz ALARUWBUKGAQJY-JTQLQIEISA-N 1 1 309.370 1.179 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645767 358005040 /nfs/dbraw/zinc/00/50/40/358005040.db2.gz XBEAIFRCWCYAFR-KLPPZKSPSA-N 1 1 320.349 1.037 20 5 DDBDMO C[N@H+]1CCCC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000600311728 358191992 /nfs/dbraw/zinc/19/19/92/358191992.db2.gz QRPZFZFSNXHGLP-ZDUSSCGKSA-N 1 1 321.377 1.822 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601136471 358417108 /nfs/dbraw/zinc/41/71/08/358417108.db2.gz FLTNWQYPPPAFOG-HTQZYQBOSA-N 1 1 321.303 1.876 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601136471 358417110 /nfs/dbraw/zinc/41/71/10/358417110.db2.gz FLTNWQYPPPAFOG-HTQZYQBOSA-N 1 1 321.303 1.876 20 5 DDBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000601583513 358611466 /nfs/dbraw/zinc/61/14/66/358611466.db2.gz BULNLEZDMKSBNN-MNOVXSKESA-N 1 1 323.324 1.015 20 5 DDBDMO O=C(CC[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000601971438 358759761 /nfs/dbraw/zinc/75/97/61/358759761.db2.gz BBXJUFFQMOSWRM-TXEJJXNPSA-N 1 1 305.334 1.502 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000602145616 358845538 /nfs/dbraw/zinc/84/55/38/358845538.db2.gz ZSLXXUWNDQUUFC-GFCCVEGCSA-N 1 1 319.361 1.526 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777760 359183809 /nfs/dbraw/zinc/18/38/09/359183809.db2.gz LAQUCIKKXCRBTD-AWEZNQCLSA-N 1 1 309.414 1.763 20 5 DDBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767112 359176434 /nfs/dbraw/zinc/17/64/34/359176434.db2.gz VZCKVANTSDTRQW-CYBMUJFWSA-N 1 1 323.397 1.338 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000602817646 359212691 /nfs/dbraw/zinc/21/26/91/359212691.db2.gz UZKLBQSFNGMILN-HNNXBMFYSA-N 1 1 310.398 1.973 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000602830173 359221943 /nfs/dbraw/zinc/22/19/43/359221943.db2.gz AEEPNBQADHWBHI-HNNXBMFYSA-N 1 1 310.398 1.830 20 5 DDBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000602899320 359281240 /nfs/dbraw/zinc/28/12/40/359281240.db2.gz PNCNHHNHGNOMIP-HIFRSBDPSA-N 1 1 310.350 1.181 20 5 DDBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602960499 359323068 /nfs/dbraw/zinc/32/30/68/359323068.db2.gz KOKLVZKGKPOWAQ-GFCCVEGCSA-N 1 1 321.381 1.668 20 5 DDBDMO CCOc1cc(C[N@H+]2C[C@@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964946 359328937 /nfs/dbraw/zinc/32/89/37/359328937.db2.gz WNRYUACUJOVMMJ-XJKSGUPXSA-N 1 1 324.377 1.965 20 5 DDBDMO CCCc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000186751419 200003966 /nfs/dbraw/zinc/00/39/66/200003966.db2.gz WUNRRGQOHNHXPM-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000186751419 200003968 /nfs/dbraw/zinc/00/39/68/200003968.db2.gz WUNRRGQOHNHXPM-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO CCCc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000186751419 200003971 /nfs/dbraw/zinc/00/39/71/200003971.db2.gz WUNRRGQOHNHXPM-UHFFFAOYSA-N 1 1 309.370 1.437 20 5 DDBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186935403 200034634 /nfs/dbraw/zinc/03/46/34/200034634.db2.gz KVAYODZSJMPBNN-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186935403 200034636 /nfs/dbraw/zinc/03/46/36/200034636.db2.gz KVAYODZSJMPBNN-VXGBXAGGSA-N 1 1 307.350 1.122 20 5 DDBDMO COC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603430495 359635227 /nfs/dbraw/zinc/63/52/27/359635227.db2.gz BPCLIZRBMCRQPH-SECBINFHSA-N 1 1 306.265 1.293 20 5 DDBDMO COc1ccc(CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187651909 200139964 /nfs/dbraw/zinc/13/99/64/200139964.db2.gz GXYGCWKPMUPKFI-LBPRGKRZSA-N 1 1 309.366 1.102 20 5 DDBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000187918033 200177041 /nfs/dbraw/zinc/17/70/41/200177041.db2.gz LZGZOTFQSXOAEW-LBPRGKRZSA-N 1 1 320.393 1.981 20 5 DDBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000618584776 363682370 /nfs/dbraw/zinc/68/23/70/363682370.db2.gz FJGQDJYSYYKMGQ-LBPRGKRZSA-N 1 1 317.349 1.382 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075425 307202658 /nfs/dbraw/zinc/20/26/58/307202658.db2.gz TUIBUYLUOZJTPL-UHFFFAOYSA-N 1 1 307.398 1.636 20 5 DDBDMO Cc1cc(NC(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188627121 200278234 /nfs/dbraw/zinc/27/82/34/200278234.db2.gz OJBMMHXCLNCBGR-UHFFFAOYSA-N 1 1 322.365 1.747 20 5 DDBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269888 360286193 /nfs/dbraw/zinc/28/61/93/360286193.db2.gz YQHFUORAQNLHOR-ZDUSSCGKSA-N 1 1 307.350 1.435 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@@H+](CCCO)C2CC2)c2c(c1)COCO2 ZINC000610132988 360385462 /nfs/dbraw/zinc/38/54/62/360385462.db2.gz OUXMAVVPZDRLTJ-UHFFFAOYSA-N 1 1 308.334 1.808 20 5 DDBDMO O=[N+]([O-])c1cc(C[N@H+](CCCO)C2CC2)c2c(c1)COCO2 ZINC000610132988 360385465 /nfs/dbraw/zinc/38/54/65/360385465.db2.gz OUXMAVVPZDRLTJ-UHFFFAOYSA-N 1 1 308.334 1.808 20 5 DDBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000610244743 360397147 /nfs/dbraw/zinc/39/71/47/360397147.db2.gz NBXOUQUBMOAVHP-LBPRGKRZSA-N 1 1 308.382 1.880 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000610476250 360444688 /nfs/dbraw/zinc/44/46/88/360444688.db2.gz ODPPFBUNTHNTLP-LBPRGKRZSA-N 1 1 321.381 1.067 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000610476250 360444692 /nfs/dbraw/zinc/44/46/92/360444692.db2.gz ODPPFBUNTHNTLP-LBPRGKRZSA-N 1 1 321.381 1.067 20 5 DDBDMO COCC1([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178928 360650096 /nfs/dbraw/zinc/65/00/96/360650096.db2.gz TXBYYQACUQCZKY-ZDUSSCGKSA-N 1 1 310.350 1.445 20 5 DDBDMO COCC1([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000611178465 360650443 /nfs/dbraw/zinc/65/04/43/360650443.db2.gz BVBQYXOUBKRFBH-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO COCC1([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000611178465 360650449 /nfs/dbraw/zinc/65/04/49/360650449.db2.gz BVBQYXOUBKRFBH-UHFFFAOYSA-N 1 1 323.349 1.653 20 5 DDBDMO CNC(=O)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000611396210 360710502 /nfs/dbraw/zinc/71/05/02/360710502.db2.gz RXKSPSVGSCRRHM-ZDUSSCGKSA-N 1 1 306.322 1.596 20 5 DDBDMO CC[C@H](O)C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616473 360777318 /nfs/dbraw/zinc/77/73/18/360777318.db2.gz RYTCJDAYXGYBGN-ZDUSSCGKSA-N 1 1 308.382 1.500 20 5 DDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000619784323 364148984 /nfs/dbraw/zinc/14/89/84/364148984.db2.gz SCRMHCKXJNFSDB-GASCZTMLSA-N 1 1 308.334 1.463 20 5 DDBDMO Cc1n[nH]cc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534884 193266121 /nfs/dbraw/zinc/26/61/21/193266121.db2.gz BWRWCAWEZPUBBM-LBPRGKRZSA-N 1 1 302.338 1.708 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264654994 204057753 /nfs/dbraw/zinc/05/77/53/204057753.db2.gz PRIQNDJQIGQCBE-ZDUSSCGKSA-N 1 1 321.381 1.271 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000266120980 205115408 /nfs/dbraw/zinc/11/54/08/205115408.db2.gz YTZPJZQCZCGGAA-UHFFFAOYSA-N 1 1 323.349 1.390 20 5 DDBDMO CC(C)[N@@H+](C)CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266224981 205196379 /nfs/dbraw/zinc/19/63/79/205196379.db2.gz BJZDPJXJDMCYQM-UHFFFAOYSA-N 1 1 322.409 1.878 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000104672922 194024179 /nfs/dbraw/zinc/02/41/79/194024179.db2.gz KAJADZKRLDYALD-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000104672922 194024180 /nfs/dbraw/zinc/02/41/80/194024180.db2.gz KAJADZKRLDYALD-CQSZACIVSA-N 1 1 307.350 1.574 20 5 DDBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104848157 194046100 /nfs/dbraw/zinc/04/61/00/194046100.db2.gz GVPZYLVFMHNKRE-UHFFFAOYSA-N 1 1 324.381 1.184 20 5 DDBDMO CCOCCNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285208482 218333658 /nfs/dbraw/zinc/33/36/58/218333658.db2.gz DLOJSFKQAQIJEI-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO CCOCCNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285208482 218333662 /nfs/dbraw/zinc/33/36/62/218333662.db2.gz DLOJSFKQAQIJEI-UHFFFAOYSA-N 1 1 309.366 1.222 20 5 DDBDMO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CCOCC1 ZINC000285292279 218369018 /nfs/dbraw/zinc/36/90/18/218369018.db2.gz LJGWJZUABFJFNK-UHFFFAOYSA-N 1 1 316.304 1.846 20 5 DDBDMO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CCOCC1 ZINC000285292279 218369019 /nfs/dbraw/zinc/36/90/19/218369019.db2.gz LJGWJZUABFJFNK-UHFFFAOYSA-N 1 1 316.304 1.846 20 5 DDBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000066140443 184392362 /nfs/dbraw/zinc/39/23/62/184392362.db2.gz MJQMYAVUEWNTBH-LLVKDONJSA-N 1 1 311.386 1.336 20 5 DDBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000120096516 195095325 /nfs/dbraw/zinc/09/53/25/195095325.db2.gz QEJZXUVTDBBRRD-UHFFFAOYSA-N 1 1 307.350 1.704 20 5 DDBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000449433161 285153459 /nfs/dbraw/zinc/15/34/59/285153459.db2.gz LASCQXKMVCSYIC-NUEKZKHPSA-N 1 1 306.362 1.957 20 5 DDBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000423493213 285168541 /nfs/dbraw/zinc/16/85/41/285168541.db2.gz PPHYMRREQARMEF-MELADBBJSA-N 1 1 323.397 1.243 20 5 DDBDMO CC[N@@H+](C)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157385656 197183531 /nfs/dbraw/zinc/18/35/31/197183531.db2.gz CEVXLVWCNYTMEQ-UHFFFAOYSA-N 1 1 317.349 1.462 20 5 DDBDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000122136522 195407792 /nfs/dbraw/zinc/40/77/92/195407792.db2.gz RJXQZTRSRKXPOZ-AWEZNQCLSA-N 1 1 306.410 1.883 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444348977 533400004 /nfs/dbraw/zinc/40/00/04/533400004.db2.gz CPIADANUQANLFB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO COc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444348977 533400008 /nfs/dbraw/zinc/40/00/08/533400008.db2.gz CPIADANUQANLFB-WDEREUQCSA-N 1 1 307.350 1.768 20 5 DDBDMO Cc1[nH]nc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000299569179 533660790 /nfs/dbraw/zinc/66/07/90/533660790.db2.gz VMAPAQDJHXTKNK-UHFFFAOYSA-N 1 1 323.397 1.820 20 5 DDBDMO CCn1ccnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000569332880 304346937 /nfs/dbraw/zinc/34/69/37/304346937.db2.gz GEPVHAFYNRVGIW-GFCCVEGCSA-N 1 1 320.349 1.341 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078619487 407036748 /nfs/dbraw/zinc/03/67/48/407036748.db2.gz VEKQBDSEGMODRR-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000078619487 407036749 /nfs/dbraw/zinc/03/67/49/407036749.db2.gz VEKQBDSEGMODRR-UHFFFAOYSA-N 1 1 300.318 1.247 20 5 DDBDMO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122782443 407310321 /nfs/dbraw/zinc/31/03/21/407310321.db2.gz JPQMPFWAEKYLAK-UHFFFAOYSA-N 1 1 314.773 1.536 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076087 407346528 /nfs/dbraw/zinc/34/65/28/407346528.db2.gz DYBGGNXVQRNWFN-MNOVXSKESA-N 1 1 320.349 1.119 20 5 DDBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000104076087 407346529 /nfs/dbraw/zinc/34/65/29/407346529.db2.gz DYBGGNXVQRNWFN-MNOVXSKESA-N 1 1 320.349 1.119 20 5 DDBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124721218 407368004 /nfs/dbraw/zinc/36/80/04/407368004.db2.gz XNRBTZVELILIHX-PWSUYJOCSA-N 1 1 306.366 1.853 20 5 DDBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000126076564 407403944 /nfs/dbraw/zinc/40/39/44/407403944.db2.gz APOAICAWROZQPP-GFCCVEGCSA-N 1 1 318.377 1.702 20 5 DDBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000185725705 407487121 /nfs/dbraw/zinc/48/71/21/407487121.db2.gz AZZNSTXUYBMNIT-ZYHUDNBSSA-N 1 1 322.365 1.498 20 5 DDBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266451613 407537600 /nfs/dbraw/zinc/53/76/00/407537600.db2.gz XHYDLFVSRPGKHQ-UHFFFAOYSA-N 1 1 322.365 1.226 20 5 DDBDMO CCCN(CC[NH+](CC)CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000130243499 407669902 /nfs/dbraw/zinc/66/99/02/407669902.db2.gz KAYWKQOTTHDVOF-UHFFFAOYSA-N 1 1 311.386 1.820 20 5 DDBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCC(=O)NC ZINC000179008646 407690848 /nfs/dbraw/zinc/69/08/48/407690848.db2.gz VSZQGZQKCQKEMN-UHFFFAOYSA-N 1 1 309.366 1.952 20 5 DDBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272067573 407761834 /nfs/dbraw/zinc/76/18/34/407761834.db2.gz BMKRHOJSSPOLQX-VIFPVBQESA-N 1 1 321.362 1.424 20 5 DDBDMO C[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000132062790 407766458 /nfs/dbraw/zinc/76/64/58/407766458.db2.gz OCHOVBDWUDKLJB-UHFFFAOYSA-N 1 1 303.322 1.392 20 5 DDBDMO COc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153544315 407849387 /nfs/dbraw/zinc/84/93/87/407849387.db2.gz MDZQOFIADZHDGR-GFCCVEGCSA-N 1 1 307.350 1.770 20 5 DDBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153905949 407929545 /nfs/dbraw/zinc/92/95/45/407929545.db2.gz ODUWTTADMDCGNE-OAHLLOKOSA-N 1 1 314.345 1.989 20 5 DDBDMO COCCO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189679199 408077539 /nfs/dbraw/zinc/07/75/39/408077539.db2.gz ANMSTFJXXAVZQI-HNNXBMFYSA-N 1 1 310.350 1.711 20 5 DDBDMO CCc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189745229 408097139 /nfs/dbraw/zinc/09/71/39/408097139.db2.gz WMDLKJBGSYWEJM-LBPRGKRZSA-N 1 1 321.377 1.296 20 5 DDBDMO [NH3+]CC(F)(F)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000190208854 408189128 /nfs/dbraw/zinc/18/91/28/408189128.db2.gz GHGUYSACDANCDO-UHFFFAOYSA-N 1 1 307.684 1.501 20 5 DDBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190335261 408222135 /nfs/dbraw/zinc/22/21/35/408222135.db2.gz XTJXPORVIIWHPV-OSAQELSMSA-N 1 1 310.350 1.037 20 5 DDBDMO Nc1c(C(=O)N2CCC[N@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000176277501 408329146 /nfs/dbraw/zinc/32/91/46/408329146.db2.gz NEUYQBMCMGOMEU-UHFFFAOYSA-N 1 1 304.350 1.487 20 5 DDBDMO CN1CCC([N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000269371531 408286161 /nfs/dbraw/zinc/28/61/61/408286161.db2.gz TUDIOUNKUGJGPZ-GQCTYLIASA-N 1 1 319.405 1.997 20 5 DDBDMO C[NH+]1CCC(N(C/C=C/c2ccccc2[N+](=O)[O-])CCO)CC1 ZINC000269371531 408286167 /nfs/dbraw/zinc/28/61/67/408286167.db2.gz TUDIOUNKUGJGPZ-GQCTYLIASA-N 1 1 319.405 1.997 20 5 DDBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246825605 408348478 /nfs/dbraw/zinc/34/84/78/408348478.db2.gz SWXZEWPEEFRXMD-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246825605 408348482 /nfs/dbraw/zinc/34/84/82/408348482.db2.gz SWXZEWPEEFRXMD-NEPJUHHUSA-N 1 1 307.350 1.122 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000159726907 162148290 /nfs/dbraw/zinc/14/82/90/162148290.db2.gz LSDVVYBJXZFNRZ-AOOOYVTPSA-N 1 1 307.354 1.237 20 5 DDBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173257782 162328791 /nfs/dbraw/zinc/32/87/91/162328791.db2.gz PFAHMBUJTMJUCI-ZDUSSCGKSA-N 1 1 321.381 1.172 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000247301419 408447045 /nfs/dbraw/zinc/44/70/45/408447045.db2.gz PBCGEQMXEZFIFI-JSGCOSHPSA-N 1 1 318.377 1.733 20 5 DDBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274440134 408406588 /nfs/dbraw/zinc/40/65/88/408406588.db2.gz HGGRYSZDGGBPRP-NSHDSACASA-N 1 1 309.370 1.239 20 5 DDBDMO COCC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000176995686 408490841 /nfs/dbraw/zinc/49/08/41/408490841.db2.gz BTACWKGQCSXDRK-UHFFFAOYSA-N 1 1 320.349 1.500 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](OCCO)C3)nc2c1 ZINC000177079037 408513878 /nfs/dbraw/zinc/51/38/78/408513878.db2.gz PTPUEOAHFGCKQX-LBPRGKRZSA-N 1 1 321.333 1.709 20 5 DDBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](OCCO)C3)nc2c1 ZINC000177079037 408513883 /nfs/dbraw/zinc/51/38/83/408513883.db2.gz PTPUEOAHFGCKQX-LBPRGKRZSA-N 1 1 321.333 1.709 20 5 DDBDMO C[C@H]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000177088023 408515956 /nfs/dbraw/zinc/51/59/56/408515956.db2.gz LOLMANGLGOBSRZ-NWDGAFQWSA-N 1 1 319.361 1.715 20 5 DDBDMO COC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265204221 408577949 /nfs/dbraw/zinc/57/79/49/408577949.db2.gz UKCIPGSZZPPZPX-GFCCVEGCSA-N 1 1 307.350 1.388 20 5 DDBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264606080 408540393 /nfs/dbraw/zinc/54/03/93/408540393.db2.gz OLNPLLRKLCNINY-JTQLQIEISA-N 1 1 310.310 1.636 20 5 DDBDMO COc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000192572293 408612224 /nfs/dbraw/zinc/61/22/24/408612224.db2.gz OQQUABFCAZSULY-VXGBXAGGSA-N 1 1 319.361 1.912 20 5 DDBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCO)C2CCOCC2)c1 ZINC000275667031 408639266 /nfs/dbraw/zinc/63/92/66/408639266.db2.gz YTNNWDRPETTZRF-HNNXBMFYSA-N 1 1 310.350 1.102 20 5 DDBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000265443821 408654034 /nfs/dbraw/zinc/65/40/34/408654034.db2.gz ZZLILLFOZUOFOH-LBPRGKRZSA-N 1 1 322.365 1.745 20 5 DDBDMO O=C(C[N@@H+](CCO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000275882657 408707721 /nfs/dbraw/zinc/70/77/21/408707721.db2.gz QQWOMUNPUIBGJG-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO O=C(C[N@H+](CCO)C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000275882657 408707725 /nfs/dbraw/zinc/70/77/25/408707725.db2.gz QQWOMUNPUIBGJG-UHFFFAOYSA-N 1 1 319.361 1.331 20 5 DDBDMO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1O ZINC000270855087 408708032 /nfs/dbraw/zinc/70/80/32/408708032.db2.gz HGYXFZWRMWGFDJ-RISCZKNCSA-N 1 1 310.350 1.685 20 5 DDBDMO Cc1ccc(NC(=O)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000270898541 408730767 /nfs/dbraw/zinc/73/07/67/408730767.db2.gz FAHJOKXYWHDTHV-GFCCVEGCSA-N 1 1 307.350 1.810 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421616 408699768 /nfs/dbraw/zinc/69/97/68/408699768.db2.gz HBCPHFKSCWTAIW-NWDGAFQWSA-N 1 1 307.350 1.769 20 5 DDBDMO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000162421616 408699772 /nfs/dbraw/zinc/69/97/72/408699772.db2.gz HBCPHFKSCWTAIW-NWDGAFQWSA-N 1 1 307.350 1.769 20 5 DDBDMO COc1cc(C(=O)NCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1C ZINC000276566323 408884097 /nfs/dbraw/zinc/88/40/97/408884097.db2.gz DKHKCHYKORSUND-UHFFFAOYSA-N 1 1 318.333 1.847 20 5 DDBDMO C[C@H](O)C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276184958 408824638 /nfs/dbraw/zinc/82/46/38/408824638.db2.gz KUUOSNRVLYCABC-UWVGGRQHSA-N 1 1 302.758 1.812 20 5 DDBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280876171 408851418 /nfs/dbraw/zinc/85/14/18/408851418.db2.gz ZUNTWEIMAUDJGS-ZUZCIYMTSA-N 1 1 320.349 1.119 20 5 DDBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000291472491 408870847 /nfs/dbraw/zinc/87/08/47/408870847.db2.gz FGKSBYLGLZIWTM-GFCCVEGCSA-N 1 1 311.386 1.418 20 5 DDBDMO Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000281677310 408909135 /nfs/dbraw/zinc/90/91/35/408909135.db2.gz QJZQFDJZLPJHCX-UHFFFAOYSA-N 1 1 307.398 1.736 20 5 DDBDMO CC(C)[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291730417 408913986 /nfs/dbraw/zinc/91/39/86/408913986.db2.gz JNQUXPVYRWGIOO-HUUCEWRRSA-N 1 1 324.377 1.834 20 5 DDBDMO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286095776 408923150 /nfs/dbraw/zinc/92/31/50/408923150.db2.gz NJHBXOXQICRBMS-JRKPZEMJSA-N 1 1 317.349 1.587 20 5 DDBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000286071920 408918633 /nfs/dbraw/zinc/91/86/33/408918633.db2.gz RWIARSIEYIOKTP-UKRRQHHQSA-N 1 1 305.378 1.890 20 5 DDBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191506287 163190214 /nfs/dbraw/zinc/19/02/14/163190214.db2.gz AVNHUURKYUWUCB-OAHLLOKOSA-N 1 1 318.377 1.981 20 5 DDBDMO Nc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277585734 408971570 /nfs/dbraw/zinc/97/15/70/408971570.db2.gz RXIFLFXTBKHNHI-CYBMUJFWSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292497108 409032369 /nfs/dbraw/zinc/03/23/69/409032369.db2.gz UHFZNVUXYHUMSQ-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000292497108 409032371 /nfs/dbraw/zinc/03/23/71/409032371.db2.gz UHFZNVUXYHUMSQ-GWCFXTLKSA-N 1 1 318.333 1.990 20 5 DDBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287505019 409046208 /nfs/dbraw/zinc/04/62/08/409046208.db2.gz NWJSYQCOKHZCGZ-JTQLQIEISA-N 1 1 304.310 1.128 20 5 DDBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCSCC1 ZINC000278035757 409055407 /nfs/dbraw/zinc/05/54/07/409055407.db2.gz RQYIHKCBOGHXIE-UHFFFAOYSA-N 1 1 309.391 1.682 20 5 DDBDMO C[C@@H](CCCC[NH3+])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000293530046 409131710 /nfs/dbraw/zinc/13/17/10/409131710.db2.gz UYFAFFRORYZZSC-VIFPVBQESA-N 1 1 305.338 1.718 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293260978 409078006 /nfs/dbraw/zinc/07/80/06/409078006.db2.gz UKNFNWAUAINCEY-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293260978 409078008 /nfs/dbraw/zinc/07/80/08/409078008.db2.gz UKNFNWAUAINCEY-CYBMUJFWSA-N 1 1 307.350 1.689 20 5 DDBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283619932 409185960 /nfs/dbraw/zinc/18/59/60/409185960.db2.gz AQHVBSGSVGPZNS-UHFFFAOYSA-N 1 1 310.329 1.484 20 5 DDBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000284715648 409358180 /nfs/dbraw/zinc/35/81/80/409358180.db2.gz ULZRFXDBGTWFQS-HOTGVXAUSA-N 1 1 305.378 1.808 20 5 DDBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1[N+](=O)[O-] ZINC000321979915 164046224 /nfs/dbraw/zinc/04/62/24/164046224.db2.gz OZBQQPQKLNAFRU-NEPJUHHUSA-N 1 1 323.324 1.327 20 5 DDBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000408073605 164218576 /nfs/dbraw/zinc/21/85/76/164218576.db2.gz QSZLWEPKKSPGMY-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000408073605 164218579 /nfs/dbraw/zinc/21/85/79/164218579.db2.gz QSZLWEPKKSPGMY-IUCAKERBSA-N 1 1 310.329 1.481 20 5 DDBDMO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356725047 409552678 /nfs/dbraw/zinc/55/26/78/409552678.db2.gz DJNSDUTWTRTTSK-NSHDSACASA-N 1 1 309.370 1.179 20 5 DDBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000304380554 409617270 /nfs/dbraw/zinc/61/72/70/409617270.db2.gz YGJBCMSHOCRDPS-GJZGRUSLSA-N 1 1 308.382 1.807 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000354007494 409596163 /nfs/dbraw/zinc/59/61/63/409596163.db2.gz QDQWECMOTXLDPT-GFCCVEGCSA-N 1 1 307.350 1.526 20 5 DDBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+]1CCOC ZINC000296923786 409709572 /nfs/dbraw/zinc/70/95/72/409709572.db2.gz AVFAXAYQNGQORS-LBPRGKRZSA-N 1 1 309.370 1.240 20 5 DDBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000356843157 409656942 /nfs/dbraw/zinc/65/69/42/409656942.db2.gz GBLWLEUAMPODOX-CHWSQXEVSA-N 1 1 321.377 1.915 20 5 DDBDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000342577196 409734415 /nfs/dbraw/zinc/73/44/15/409734415.db2.gz BGLDWTNZVNQDCV-CYBMUJFWSA-N 1 1 307.350 1.695 20 5 DDBDMO CC[N@H+]1CCCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000307853038 409779793 /nfs/dbraw/zinc/77/97/93/409779793.db2.gz CEUQYVHJVUHFGG-UHFFFAOYSA-N 1 1 306.366 1.804 20 5 DDBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)[N@@H+]1C ZINC000339611645 410328503 /nfs/dbraw/zinc/32/85/03/410328503.db2.gz GLWPKERAKRFTEM-PHIMTYICSA-N 1 1 303.366 1.996 20 5 DDBDMO CN(C(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347004969 410306658 /nfs/dbraw/zinc/30/66/58/410306658.db2.gz KQGMVLTXUCCYCW-AWEZNQCLSA-N 1 1 319.361 1.669 20 5 DDBDMO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347335066 410480261 /nfs/dbraw/zinc/48/02/61/410480261.db2.gz NHQVUIIBYNJRFP-UWVGGRQHSA-N 1 1 300.742 1.566 20 5 DDBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343419306 410436244 /nfs/dbraw/zinc/43/62/44/410436244.db2.gz PUYOFKRRPRNWSZ-LLVKDONJSA-N 1 1 313.304 1.798 20 5 DDBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCC)c1[N+](=O)[O-] ZINC000343631476 410583810 /nfs/dbraw/zinc/58/38/10/410583810.db2.gz QSWQWNMAIKWAQM-LLVKDONJSA-N 1 1 323.397 1.875 20 5 DDBDMO C[N@@H+](CC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000339974937 410589155 /nfs/dbraw/zinc/58/91/55/410589155.db2.gz FETCZKXPOUJPCO-ZDUSSCGKSA-N 1 1 309.391 1.648 20 5 DDBDMO CC[N@@H+](CCOC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343641435 410589284 /nfs/dbraw/zinc/58/92/84/410589284.db2.gz CCWUCCCKJAWLOG-AWEZNQCLSA-N 1 1 307.350 1.668 20 5 DDBDMO COC1CC([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000352223605 410560989 /nfs/dbraw/zinc/56/09/89/410560989.db2.gz WYTJNMPXRNFPJO-UHFFFAOYSA-N 1 1 307.350 1.951 20 5 DDBDMO COC1CC([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000352223605 410561001 /nfs/dbraw/zinc/56/10/01/410561001.db2.gz WYTJNMPXRNFPJO-UHFFFAOYSA-N 1 1 307.350 1.951 20 5 DDBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301120896 410661350 /nfs/dbraw/zinc/66/13/50/410661350.db2.gz NOBASKIFASLQQS-OAHLLOKOSA-N 1 1 318.377 1.338 20 5 DDBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000353055538 410761496 /nfs/dbraw/zinc/76/14/96/410761496.db2.gz FLDIMNSKWBWSLM-VIFPVBQESA-N 1 1 319.408 1.337 20 5 DDBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000353055538 410761500 /nfs/dbraw/zinc/76/15/00/410761500.db2.gz FLDIMNSKWBWSLM-VIFPVBQESA-N 1 1 319.408 1.337 20 5 DDBDMO C[C@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000302127763 410841376 /nfs/dbraw/zinc/84/13/76/410841376.db2.gz XALKXEMOLQWYHK-NSHDSACASA-N 1 1 307.354 1.074 20 5 DDBDMO Cc1c[nH]nc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356122417 410847518 /nfs/dbraw/zinc/84/75/18/410847518.db2.gz HAGYRKHJGPVAEJ-LLVKDONJSA-N 1 1 302.338 1.708 20 5 DDBDMO Cc1c[nH]nc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000356122417 410847532 /nfs/dbraw/zinc/84/75/32/410847532.db2.gz HAGYRKHJGPVAEJ-LLVKDONJSA-N 1 1 302.338 1.708 20 5 DDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCCC[C@H]1C ZINC000356149517 410864804 /nfs/dbraw/zinc/86/48/04/410864804.db2.gz HCCQAEIFKJKYQX-GHMZBOCLSA-N 1 1 309.370 1.321 20 5 DDBDMO Cn1ccnc1[C@@H](NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353646693 411098734 /nfs/dbraw/zinc/09/87/34/411098734.db2.gz QRRPWVJMHMVWRO-HNNXBMFYSA-N 1 1 315.377 1.713 20 5 DDBDMO COc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356654414 411118053 /nfs/dbraw/zinc/11/80/53/411118053.db2.gz LNOGJJCWYFLLEN-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO COc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356654414 411118055 /nfs/dbraw/zinc/11/80/55/411118055.db2.gz LNOGJJCWYFLLEN-MNOVXSKESA-N 1 1 307.350 1.768 20 5 DDBDMO O=[N+]([O-])c1cc(Cl)cnc1NCCC[NH+]1CCOCC1 ZINC000129759796 196073889 /nfs/dbraw/zinc/07/38/89/196073889.db2.gz YDULMUQVMWSFBM-UHFFFAOYSA-N 1 1 300.746 1.777 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000516314131 416721872 /nfs/dbraw/zinc/72/18/72/416721872.db2.gz XHVVEDRPFPUWRR-VHSXEESVSA-N 1 1 307.354 1.196 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000516314131 416721875 /nfs/dbraw/zinc/72/18/75/416721875.db2.gz XHVVEDRPFPUWRR-VHSXEESVSA-N 1 1 307.354 1.196 20 5 DDBDMO COC[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000296695819 226134075 /nfs/dbraw/zinc/13/40/75/226134075.db2.gz METGVWBEINTYQI-CJNGLKHVSA-N 1 1 324.377 1.693 20 5 DDBDMO Cc1ccc(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000366817198 418522048 /nfs/dbraw/zinc/52/20/48/418522048.db2.gz CYVGEWMXLOXPHF-CQSZACIVSA-N 1 1 307.350 1.951 20 5 DDBDMO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000366817198 418522049 /nfs/dbraw/zinc/52/20/49/418522049.db2.gz CYVGEWMXLOXPHF-CQSZACIVSA-N 1 1 307.350 1.951 20 5 DDBDMO COc1cccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000192509393 418524413 /nfs/dbraw/zinc/52/44/13/418524413.db2.gz PJHQRRMROYJXFQ-SNVBAGLBSA-N 1 1 307.350 1.816 20 5 DDBDMO Cc1c([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000367320675 418584105 /nfs/dbraw/zinc/58/41/05/418584105.db2.gz YIRCZSPTEPTPLU-CQSZACIVSA-N 1 1 304.354 1.670 20 5 DDBDMO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000361152138 418593954 /nfs/dbraw/zinc/59/39/54/418593954.db2.gz ASGQJTIAAXEWFN-NNQSOWQGSA-N 1 1 319.361 1.287 20 5 DDBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000361293309 418619422 /nfs/dbraw/zinc/61/94/22/418619422.db2.gz WNBCFRFCADELGR-RISCZKNCSA-N 1 1 304.350 1.546 20 5 DDBDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000368005007 418672056 /nfs/dbraw/zinc/67/20/56/418672056.db2.gz GQDNWADPQKMTHL-JTQLQIEISA-N 1 1 315.276 1.283 20 5 DDBDMO COCCC[N@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000375704914 418675087 /nfs/dbraw/zinc/67/50/87/418675087.db2.gz OGLCJERCCFOGKL-UHFFFAOYSA-N 1 1 308.382 1.726 20 5 DDBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361567650 418679753 /nfs/dbraw/zinc/67/97/53/418679753.db2.gz VUEZVENBVWCZCQ-OAHLLOKOSA-N 1 1 320.349 1.121 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368072061 418683934 /nfs/dbraw/zinc/68/39/34/418683934.db2.gz ODNKGJJCUICUSI-AAEUAGOBSA-N 1 1 305.334 1.171 20 5 DDBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000385849881 418738235 /nfs/dbraw/zinc/73/82/35/418738235.db2.gz XKTKIJCYDLWFLX-STQMWFEESA-N 1 1 307.350 1.287 20 5 DDBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365631935 418885079 /nfs/dbraw/zinc/88/50/79/418885079.db2.gz RUARDFNILZLJGN-LLVKDONJSA-N 1 1 320.349 1.442 20 5 DDBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000372788096 418902320 /nfs/dbraw/zinc/90/23/20/418902320.db2.gz TXJCABZQDQUKNR-NHYWBVRUSA-N 1 1 321.381 1.614 20 5 DDBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000426230008 419410805 /nfs/dbraw/zinc/41/08/05/419410805.db2.gz JTHPGXCFCIDNLL-STQMWFEESA-N 1 1 310.350 1.181 20 5 DDBDMO Cc1ccc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000418112746 419542707 /nfs/dbraw/zinc/54/27/07/419542707.db2.gz LNOXLYBBJPMREP-UONOGXRCSA-N 1 1 307.394 1.790 20 5 DDBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762475 419715930 /nfs/dbraw/zinc/71/59/30/419715930.db2.gz NCASECJYRMFJCH-UHFFFAOYSA-N 1 1 309.366 1.520 20 5 DDBDMO CC(C)(NC(=O)NCC(F)(F)C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000418535869 419862382 /nfs/dbraw/zinc/86/23/82/419862382.db2.gz DZVBXNLAXCVQQJ-UHFFFAOYSA-N 1 1 316.308 1.723 20 5 DDBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1c([N+](=O)[O-])ncn1C ZINC000432038667 229075164 /nfs/dbraw/zinc/07/51/64/229075164.db2.gz STXUEKHGOAPLAB-UHFFFAOYSA-N 1 1 318.337 1.612 20 5 DDBDMO Cc1c(NC(=O)CCN(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000420322436 420207857 /nfs/dbraw/zinc/20/78/57/420207857.db2.gz ACASNNHUXLPSTI-UHFFFAOYSA-N 1 1 306.366 1.653 20 5 DDBDMO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381745 420249845 /nfs/dbraw/zinc/24/98/45/420249845.db2.gz ZJHWHSGTCDHDCS-WQGACYEGSA-N 1 1 320.393 1.900 20 5 DDBDMO COc1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000425545568 420413065 /nfs/dbraw/zinc/41/30/65/420413065.db2.gz KDJUHQYINAFYPN-LLVKDONJSA-N 1 1 303.322 1.711 20 5 DDBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425553395 420416936 /nfs/dbraw/zinc/41/69/36/420416936.db2.gz UHMAPFGZPKPUJG-NSHDSACASA-N 1 1 303.322 1.581 20 5 DDBDMO Cc1c(CC(=O)N2CC[N@H+](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000438840395 420466818 /nfs/dbraw/zinc/46/68/18/420466818.db2.gz YUFFYOBXKPXSNE-GFCCVEGCSA-N 1 1 305.378 1.998 20 5 DDBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000450793946 420532561 /nfs/dbraw/zinc/53/25/61/420532561.db2.gz QTMVEPHJDAJCBS-PHIMTYICSA-N 1 1 312.757 1.918 20 5 DDBDMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000452970836 420691785 /nfs/dbraw/zinc/69/17/85/420691785.db2.gz GDMRKSNKBOJLPB-ZIBATOQPSA-N 1 1 321.352 2.000 20 5 DDBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000493138353 420766313 /nfs/dbraw/zinc/76/63/13/420766313.db2.gz HWCIOCXYQZQPCB-FJOGCWAESA-N 1 1 311.288 1.674 20 5 DDBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454131239 420803642 /nfs/dbraw/zinc/80/36/42/420803642.db2.gz CREKNEVNRCVGEW-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454131239 420803645 /nfs/dbraw/zinc/80/36/45/420803645.db2.gz CREKNEVNRCVGEW-NSHDSACASA-N 1 1 308.338 1.125 20 5 DDBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1cccc([N+](=O)[O-])c1 ZINC000454139316 420805196 /nfs/dbraw/zinc/80/51/96/420805196.db2.gz DQGFJQJNTNLXHH-AWEZNQCLSA-N 1 1 322.365 1.563 20 5 DDBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449522434 421021652 /nfs/dbraw/zinc/02/16/52/421021652.db2.gz KTPROPGWHCEDRA-QCNRNOMUSA-N 1 1 315.329 1.203 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000488725269 421107453 /nfs/dbraw/zinc/10/74/53/421107453.db2.gz ALCAOBWMBAYRQG-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488725269 421107456 /nfs/dbraw/zinc/10/74/56/421107456.db2.gz ALCAOBWMBAYRQG-NWDGAFQWSA-N 1 1 307.350 1.544 20 5 DDBDMO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799331 421118260 /nfs/dbraw/zinc/11/82/60/421118260.db2.gz KJQKZVIWGSCKEF-AAEUAGOBSA-N 1 1 319.361 1.187 20 5 DDBDMO CC(C)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000490295328 421191694 /nfs/dbraw/zinc/19/16/94/421191694.db2.gz BRQCPOPSCUCPQD-ZDUSSCGKSA-N 1 1 306.366 1.589 20 5 DDBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496345684 421236120 /nfs/dbraw/zinc/23/61/20/421236120.db2.gz NARJLUVKEJHWLB-UHFFFAOYSA-N 1 1 321.333 1.678 20 5 DDBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000547756174 421363193 /nfs/dbraw/zinc/36/31/93/421363193.db2.gz OPLHDBHLQPBLLQ-UHFFFAOYSA-N 1 1 317.349 1.700 20 5 DDBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000562916498 421425651 /nfs/dbraw/zinc/42/56/51/421425651.db2.gz IKTMQUINZQFZBY-NSHDSACASA-N 1 1 307.350 1.675 20 5 DDBDMO C[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965935 421432350 /nfs/dbraw/zinc/43/23/50/421432350.db2.gz QFJRQASTGQOUDI-STQMWFEESA-N 1 1 321.377 1.223 20 5 DDBDMO C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562965935 421432352 /nfs/dbraw/zinc/43/23/52/421432352.db2.gz QFJRQASTGQOUDI-STQMWFEESA-N 1 1 321.377 1.223 20 5 DDBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548731892 421467785 /nfs/dbraw/zinc/46/77/85/421467785.db2.gz LJQDKYVLLDTDRJ-ZDUSSCGKSA-N 1 1 306.366 1.840 20 5 DDBDMO CC[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000518709756 421663146 /nfs/dbraw/zinc/66/31/46/421663146.db2.gz FZXKWRMAKUMOED-UHFFFAOYSA-N 1 1 307.306 1.101 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000520218982 421741123 /nfs/dbraw/zinc/74/11/23/421741123.db2.gz LGDNVWFOQMACAQ-LLVKDONJSA-N 1 1 315.276 1.283 20 5 DDBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520366851 421747095 /nfs/dbraw/zinc/74/70/95/421747095.db2.gz IUZCQOXOYSTCJD-NWDGAFQWSA-N 1 1 308.382 1.784 20 5 DDBDMO CC[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983456 422440565 /nfs/dbraw/zinc/44/05/65/422440565.db2.gz KRMLKZZSLLQRSB-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983456 422440571 /nfs/dbraw/zinc/44/05/71/422440571.db2.gz KRMLKZZSLLQRSB-OAHLLOKOSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983455 422440628 /nfs/dbraw/zinc/44/06/28/422440628.db2.gz KRMLKZZSLLQRSB-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000602983455 422440633 /nfs/dbraw/zinc/44/06/33/422440633.db2.gz KRMLKZZSLLQRSB-HNNXBMFYSA-N 1 1 307.350 1.770 20 5 DDBDMO CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000345825500 272345158 /nfs/dbraw/zinc/34/51/58/272345158.db2.gz SCBZQTMIKKXGCV-CQSZACIVSA-N 1 1 321.377 1.667 20 5 DDBDMO CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000345825500 272345161 /nfs/dbraw/zinc/34/51/61/272345161.db2.gz SCBZQTMIKKXGCV-CQSZACIVSA-N 1 1 321.377 1.667 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000338706022 274117796 /nfs/dbraw/zinc/11/77/96/274117796.db2.gz RBHUHPAAFLIBKD-GFCCVEGCSA-N 1 1 309.366 1.496 20 5 DDBDMO CC[N@H+]1CC[C@H]2OCCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293161074 276235493 /nfs/dbraw/zinc/23/54/93/276235493.db2.gz FOCNWHNXAFSCCW-DLBZAZTESA-N 1 1 319.405 1.932 20 5 DDBDMO CN1CCNC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000423522047 277116377 /nfs/dbraw/zinc/11/63/77/277116377.db2.gz RENADVVNARJTTA-CZUORRHYSA-N 1 1 318.421 1.810 20 5 DDBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000120685936 281123330 /nfs/dbraw/zinc/12/33/30/281123330.db2.gz MZELINPHZARZCX-CQSZACIVSA-N 1 1 320.393 1.778 20 5 DDBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000353994487 298333570 /nfs/dbraw/zinc/33/35/70/298333570.db2.gz FTWRESXHQLUGSQ-CYBMUJFWSA-N 1 1 320.393 1.949 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000354008938 298338032 /nfs/dbraw/zinc/33/80/32/298338032.db2.gz UGRWBFGHVPOLFG-NSHDSACASA-N 1 1 307.350 1.770 20 5 DDBDMO C[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000357965267 299034776 /nfs/dbraw/zinc/03/47/76/299034776.db2.gz QTTVCIBXTITYGH-GHMZBOCLSA-N 1 1 309.370 1.321 20 5 DDBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000362982492 300193696 /nfs/dbraw/zinc/19/36/96/300193696.db2.gz MEEQCJVGNRZGER-MFKMUULPSA-N 1 1 304.350 1.072 20 5 DDBDMO O=C(CC[NH+]1CC(O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366744722 300742988 /nfs/dbraw/zinc/74/29/88/300742988.db2.gz JPYFZRZGQXMNKY-UHFFFAOYSA-N 1 1 305.334 1.380 20 5 DDBDMO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422065 301024509 /nfs/dbraw/zinc/02/45/09/301024509.db2.gz KGZPAKLKQORXRQ-VXGBXAGGSA-N 1 1 302.338 1.979 20 5 DDBDMO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422065 301024512 /nfs/dbraw/zinc/02/45/12/301024512.db2.gz KGZPAKLKQORXRQ-VXGBXAGGSA-N 1 1 302.338 1.979 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368596592 301061305 /nfs/dbraw/zinc/06/13/05/301061305.db2.gz VMBVMCJIFIDKHT-YGRLFVJLSA-N 1 1 304.350 1.343 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000369473839 301189470 /nfs/dbraw/zinc/18/94/70/301189470.db2.gz UFPJXCZFQYOQHD-UKRRQHHQSA-N 1 1 319.361 1.837 20 5 DDBDMO Cc1nc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370025409 301260593 /nfs/dbraw/zinc/26/05/93/301260593.db2.gz DTPGOMHDMKNGCQ-NSHDSACASA-N 1 1 306.326 1.362 20 5 DDBDMO Cc1nc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)no1 ZINC000370025409 301260597 /nfs/dbraw/zinc/26/05/97/301260597.db2.gz DTPGOMHDMKNGCQ-NSHDSACASA-N 1 1 306.326 1.362 20 5 DDBDMO COC(=O)CN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370025974 301260649 /nfs/dbraw/zinc/26/06/49/301260649.db2.gz LEHSMCTWBDXONO-UHFFFAOYSA-N 1 1 321.377 1.318 20 5 DDBDMO CN(C(=O)C[N@H+]1CC[C@H]2OCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000376029743 302027003 /nfs/dbraw/zinc/02/70/03/302027003.db2.gz QBWRQGVRMHVORI-SWLSCSKDSA-N 1 1 319.361 1.668 20 5 DDBDMO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377688089 302212292 /nfs/dbraw/zinc/21/22/92/302212292.db2.gz IHMBXLLDENHMKW-KBXIAJHMSA-N 1 1 303.362 1.386 20 5 DDBDMO COCCNC(=O)C1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000519632115 302845870 /nfs/dbraw/zinc/84/58/70/302845870.db2.gz QCIUVXPRQHJZIN-GFCCVEGCSA-N 1 1 321.377 1.849 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000534124067 303326716 /nfs/dbraw/zinc/32/67/16/303326716.db2.gz IPTHARMFQMWRTJ-GFCCVEGCSA-N 1 1 324.381 1.346 20 5 DDBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)[C@H]2C1 ZINC000367253621 307089842 /nfs/dbraw/zinc/08/98/42/307089842.db2.gz SQYSIDXJDYWSPB-OTYXRUKQSA-N 1 1 322.340 1.482 20 5 DDBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367377996 307092336 /nfs/dbraw/zinc/09/23/36/307092336.db2.gz NVERFTSOIPHBAB-WDEREUQCSA-N 1 1 320.349 1.119 20 5 DDBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)n1 ZINC000373142416 307180406 /nfs/dbraw/zinc/18/04/06/307180406.db2.gz TWHLPVPDYYFKIS-UONOGXRCSA-N 1 1 308.382 1.930 20 5 DDBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075425 307202657 /nfs/dbraw/zinc/20/26/57/307202657.db2.gz TUIBUYLUOZJTPL-UHFFFAOYSA-N 1 1 307.398 1.636 20 5 DDBDMO O=C1NC[C@@]2(CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000375573269 307228305 /nfs/dbraw/zinc/22/83/05/307228305.db2.gz VEZDRAZOVWTJDW-OAHLLOKOSA-N 1 1 321.333 1.548 20 5 DDBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000533195925 307636027 /nfs/dbraw/zinc/63/60/27/307636027.db2.gz OONAZUZSXXUKQF-LBPRGKRZSA-N 1 1 305.334 1.611 20 5 DDBDMO CN1CC[N@H+](C)C[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564893261 308010797 /nfs/dbraw/zinc/01/07/97/308010797.db2.gz KSGQDOJZQFMDII-ZDUSSCGKSA-N 1 1 319.409 1.526 20 5 DDBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564893261 308010798 /nfs/dbraw/zinc/01/07/98/308010798.db2.gz KSGQDOJZQFMDII-ZDUSSCGKSA-N 1 1 319.409 1.526 20 5 DDBDMO C[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000572012900 308208405 /nfs/dbraw/zinc/20/84/05/308208405.db2.gz YQJLZZZPROARBO-LLVKDONJSA-N 1 1 302.334 1.855 20 5 DDBDMO CC[N@@H+](C)C[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000583478471 333366970 /nfs/dbraw/zinc/36/69/70/333366970.db2.gz HNPUETNPTIWQKD-AWEZNQCLSA-N 1 1 322.409 1.029 20 5 DDBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421024312 484112467 /nfs/dbraw/zinc/11/24/67/484112467.db2.gz XELBOZZOWWELHF-GFCCVEGCSA-N 1 1 321.377 1.678 20 5 DDBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000452363784 534319053 /nfs/dbraw/zinc/31/90/53/534319053.db2.gz MDNSZGZSKIRVDO-ZDUSSCGKSA-N 1 1 321.377 1.480 20 5 DDBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+](C2CC2)C1 ZINC000452178288 534405621 /nfs/dbraw/zinc/40/56/21/534405621.db2.gz YVKKASSXXHIJEY-JTQLQIEISA-N 1 1 319.365 1.128 20 5 DDBDMO C[C@H](O)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348610 525738609 /nfs/dbraw/zinc/73/86/09/525738609.db2.gz LFEMGIGGICXMBI-JTQLQIEISA-N 1 1 309.322 1.205 20 5 DDBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459600616 528034597 /nfs/dbraw/zinc/03/45/97/528034597.db2.gz UABCKHKBGASPJW-UHFFFAOYSA-N 1 1 322.365 1.062 20 5 DDBDMO CNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000336859131 536434973 /nfs/dbraw/zinc/43/49/73/536434973.db2.gz FIZDEHBJZDGWGA-CMPLNLGQSA-N 1 1 306.366 1.849 20 5 DDBDMO C[N@H+]1CC[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736848360 598243580 /nfs/dbraw/zinc/24/35/80/598243580.db2.gz LWEXFPVSDIVDGU-VIFPVBQESA-N 1 1 303.326 1.139 20 5 DDBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176091921 697401339 /nfs/dbraw/zinc/40/13/39/697401339.db2.gz KKWQBNUWVVAQGP-LBPRGKRZSA-N 1 1 317.349 1.779 20 5 DDBDMO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582166 698121099 /nfs/dbraw/zinc/12/10/99/698121099.db2.gz RVCURFPACBJKPP-KBPBESRZSA-N 1 1 307.350 1.358 20 5 DDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583018 698121377 /nfs/dbraw/zinc/12/13/77/698121377.db2.gz YNVFMJQMUPIYEW-WFASDCNBSA-N 1 1 321.377 1.606 20 5 DDBDMO O=C(OCCC[NH+]1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000750888158 700255211 /nfs/dbraw/zinc/25/52/11/700255211.db2.gz IKIBUJUKJIESMD-UHFFFAOYSA-N 1 1 312.297 1.613 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719001647 699297204 /nfs/dbraw/zinc/29/72/04/699297204.db2.gz PUZXGDLAJXMSIG-GFCCVEGCSA-N 1 1 310.354 1.185 20 5 DDBDMO C[N@H+]1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000794927332 699836377 /nfs/dbraw/zinc/83/63/77/699836377.db2.gz FLOBUBRMYNCKKV-SMDDNHRTSA-N 1 1 306.322 1.639 20 5 DDBDMO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000742197897 699866515 /nfs/dbraw/zinc/86/65/15/699866515.db2.gz VXNXKJXNNADINH-JTQLQIEISA-N 1 1 323.349 1.388 20 5 DDBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000742197897 699866518 /nfs/dbraw/zinc/86/65/18/699866518.db2.gz VXNXKJXNNADINH-JTQLQIEISA-N 1 1 323.349 1.388 20 5 DDBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000742238651 699868818 /nfs/dbraw/zinc/86/88/18/699868818.db2.gz GJOIMBORNCWDOA-LLVKDONJSA-N 1 1 309.370 1.090 20 5 DDBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000762719246 700904410 /nfs/dbraw/zinc/90/44/10/700904410.db2.gz RCJQGNXUCGHGLD-ZDUSSCGKSA-N 1 1 313.741 1.045 20 5 DDBDMO Nc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000804327378 701178619 /nfs/dbraw/zinc/17/86/19/701178619.db2.gz OTCCJWOPFZVOSL-CYBMUJFWSA-N 1 1 306.366 1.478 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000770474577 701279497 /nfs/dbraw/zinc/27/94/97/701279497.db2.gz BOTKENIWKLUAQB-MNOVXSKESA-N 1 1 305.338 1.374 20 5 DDBDMO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000770474577 701279498 /nfs/dbraw/zinc/27/94/98/701279498.db2.gz BOTKENIWKLUAQB-MNOVXSKESA-N 1 1 305.338 1.374 20 5 DDBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000771921956 701336998 /nfs/dbraw/zinc/33/69/98/701336998.db2.gz INELRWQRLBFEFG-UHFFFAOYSA-N 1 1 308.269 1.678 20 5 DDBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000840223352 702034532 /nfs/dbraw/zinc/03/45/32/702034532.db2.gz ZEKFTBHFOFDEEB-LBPRGKRZSA-N 1 1 324.381 1.944 20 5 DDBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000843113556 702821532 /nfs/dbraw/zinc/82/15/32/702821532.db2.gz WZPCSHJMYZXRBC-GOEBONIOSA-N 1 1 323.393 1.065 20 5 DDBDMO C[N@H+]1CCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844268663 703002050 /nfs/dbraw/zinc/00/20/50/703002050.db2.gz OAQNMIKXUFWOAK-MRXNPFEDSA-N 1 1 304.394 1.811 20 5 DDBDMO CNc1nccc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000848102739 703506670 /nfs/dbraw/zinc/50/66/70/703506670.db2.gz AZZOZPCJUHXKDT-WDEREUQCSA-N 1 1 319.365 1.055 20 5 DDBDMO COc1ccnc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000849330825 703635960 /nfs/dbraw/zinc/63/59/60/703635960.db2.gz CYHISLNEFLMYCC-ZDUSSCGKSA-N 1 1 321.308 1.961 20 5 DDBDMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000852664836 704096201 /nfs/dbraw/zinc/09/62/01/704096201.db2.gz DNQGDSFIORBDOF-RYUDHWBXSA-N 1 1 307.306 1.971 20 5 DDBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000819338135 704110131 /nfs/dbraw/zinc/11/01/31/704110131.db2.gz WZPIWZSLBTVAJT-OCCSQVGLSA-N 1 1 318.333 1.266 20 5 DDBDMO CN(CC1=CCCOC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870953784 704180435 /nfs/dbraw/zinc/18/04/35/704180435.db2.gz NBLLJZZITYGDCV-MRXNPFEDSA-N 1 1 319.361 1.574 20 5 DDBDMO C[N@H+]1CC[C@H](CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000821339810 704393286 /nfs/dbraw/zinc/39/32/86/704393286.db2.gz IPBPFKCGURAISS-GFCCVEGCSA-N 1 1 303.362 1.821 20 5 DDBDMO CC[N@@H+](CCO)CCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000822010659 704860364 /nfs/dbraw/zinc/86/03/64/704860364.db2.gz CJQQHCOSVWCKFQ-UHFFFAOYSA-N 1 1 309.366 1.256 20 5 DDBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874845995 705200905 /nfs/dbraw/zinc/20/09/05/705200905.db2.gz XBZSUSUIASOXQE-CABCVRRESA-N 1 1 319.361 1.912 20 5 DDBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000860826877 705293460 /nfs/dbraw/zinc/29/34/60/705293460.db2.gz PTVPFQICQXKUKV-CYBMUJFWSA-N 1 1 313.741 1.045 20 5 DDBDMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825505811 705684150 /nfs/dbraw/zinc/68/41/50/705684150.db2.gz WJPDOLFFQPLBBE-SWLSCSKDSA-N 1 1 321.377 1.476 20 5 DDBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863032407 705852622 /nfs/dbraw/zinc/85/26/22/705852622.db2.gz ODUKBJYEQVPWBM-ZDUSSCGKSA-N 1 1 318.377 1.924 20 5 DDBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827035606 705915972 /nfs/dbraw/zinc/91/59/72/705915972.db2.gz RPHTYFSOPSWULA-KMUNFCNLSA-N 1 1 319.361 1.227 20 5 DDBDMO Cn1cc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000877605289 706156946 /nfs/dbraw/zinc/15/69/46/706156946.db2.gz YLBBDPWYPNTHRA-INIZCTEOSA-N 1 1 316.361 1.594 20 5 DDBDMO Cn1cc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000877605289 706156949 /nfs/dbraw/zinc/15/69/49/706156949.db2.gz YLBBDPWYPNTHRA-INIZCTEOSA-N 1 1 316.361 1.594 20 5 DDBDMO CN1CCCC[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265665 707355731 /nfs/dbraw/zinc/35/57/31/707355731.db2.gz VALIDUBPBXBUIY-CABCVRRESA-N 1 1 321.377 1.571 20 5 DDBDMO CN1CCCC[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000872265665 707355736 /nfs/dbraw/zinc/35/57/36/707355736.db2.gz VALIDUBPBXBUIY-CABCVRRESA-N 1 1 321.377 1.571 20 5 DDBDMO CC(=O)c1c(N[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000881951648 707440973 /nfs/dbraw/zinc/44/09/73/707440973.db2.gz CQJJHYDEGIDSPS-GFCCVEGCSA-N 1 1 320.393 1.845 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872784840 707599861 /nfs/dbraw/zinc/59/98/61/707599861.db2.gz HNHFOZVZXSMLHA-AOOOYVTPSA-N 1 1 305.290 1.038 20 5 DDBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872784840 707599864 /nfs/dbraw/zinc/59/98/64/707599864.db2.gz HNHFOZVZXSMLHA-AOOOYVTPSA-N 1 1 305.290 1.038 20 5 DDBDMO Cc1c(CNC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000873128784 707742588 /nfs/dbraw/zinc/74/25/88/707742588.db2.gz DJOLSMUDWAVFMC-OAHLLOKOSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1c(CNC[C@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000873128784 707742591 /nfs/dbraw/zinc/74/25/91/707742591.db2.gz DJOLSMUDWAVFMC-OAHLLOKOSA-N 1 1 307.394 1.840 20 5 DDBDMO Cc1c(CNC2(CCO)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873134733 707744451 /nfs/dbraw/zinc/74/44/51/707744451.db2.gz TZILQSZZHYRDAV-UHFFFAOYSA-N 1 1 307.394 1.840 20 5 DDBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000883372851 707986244 /nfs/dbraw/zinc/98/62/44/707986244.db2.gz QFOGLHLWOXEMDT-ZDUSSCGKSA-N 1 1 322.365 1.367 20 5 DDBDMO C[N@H+]1C[C@@H]2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C[C@]2(C)C1 ZINC000896911728 708180674 /nfs/dbraw/zinc/18/06/74/708180674.db2.gz BKVXSYDFBFJCGH-ABAIWWIYSA-N 1 1 309.341 1.614 20 5 DDBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897218458 708256604 /nfs/dbraw/zinc/25/66/04/708256604.db2.gz CUFOEWYKWTUBCP-CHWSQXEVSA-N 1 1 323.397 1.155 20 5 DDBDMO C[N@@H+](CCO)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000884823397 708387046 /nfs/dbraw/zinc/38/70/46/708387046.db2.gz SWRZGIRJXKLKAM-UHFFFAOYSA-N 1 1 307.272 1.950 20 5 DDBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886157757 708707355 /nfs/dbraw/zinc/70/73/55/708707355.db2.gz KFGJKHKYDKQAQJ-GFCCVEGCSA-N 1 1 308.382 1.267 20 5 DDBDMO CCOc1cc(NC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000888835889 709388302 /nfs/dbraw/zinc/38/83/02/709388302.db2.gz GNICXCWTCKWESP-UHFFFAOYSA-N 1 1 308.338 1.773 20 5 DDBDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000900240658 709500735 /nfs/dbraw/zinc/50/07/35/709500735.db2.gz MGBILCLEXXSNKS-HNNXBMFYSA-N 1 1 307.350 1.058 20 5 DDBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889778944 709631644 /nfs/dbraw/zinc/63/16/44/709631644.db2.gz CEBSESVAAWCXKD-HUUCEWRRSA-N 1 1 319.361 1.266 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000913095969 713161875 /nfs/dbraw/zinc/16/18/75/713161875.db2.gz ACVRCHDLJXGUKT-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095969 713161876 /nfs/dbraw/zinc/16/18/76/713161876.db2.gz ACVRCHDLJXGUKT-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000913095969 713161877 /nfs/dbraw/zinc/16/18/77/713161877.db2.gz ACVRCHDLJXGUKT-DMRZNYOFSA-N 1 1 317.389 1.678 20 5 DDBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000895773838 711603136 /nfs/dbraw/zinc/60/31/36/711603136.db2.gz UXBKQLLVZODBKP-LLVKDONJSA-N 1 1 311.363 1.041 20 5 DDBDMO COc1ccc(N2CC[NH+](CCCNCC[N+](=O)[O-])CC2)cc1 ZINC000905026903 711912608 /nfs/dbraw/zinc/91/26/08/711912608.db2.gz OLRXLRZKCYYRNB-UHFFFAOYSA-N 1 1 322.409 1.074 20 5 DDBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000914300031 713373083 /nfs/dbraw/zinc/37/30/83/713373083.db2.gz HTEHOWVAIWSVAU-CMPLNLGQSA-N 1 1 322.365 1.495 20 5 DDBDMO COC(=O)c1cc([N+](=O)[O-])cn(CC[C@H]2CCCC[N@H+]2C)c1=O ZINC000915668713 713426950 /nfs/dbraw/zinc/42/69/50/713426950.db2.gz NHFOPRSWHOJENO-LLVKDONJSA-N 1 1 323.349 1.418 20 5 DDBDMO O=[N+]([O-])c1nccn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000918386060 713540936 /nfs/dbraw/zinc/54/09/36/713540936.db2.gz FGFFELHCOQSYFN-UHFFFAOYSA-N 1 1 302.334 1.672 20 5 DDBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000930619597 713879006 /nfs/dbraw/zinc/87/90/06/713879006.db2.gz WTVCTQLUOLWRDV-NSHDSACASA-N 1 1 307.354 1.358 20 5 DDBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951786 714195963 /nfs/dbraw/zinc/19/59/63/714195963.db2.gz RVRVTTIZIIGCLZ-HNNXBMFYSA-N 1 1 305.378 1.938 20 5 DDBDMO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922951786 714195966 /nfs/dbraw/zinc/19/59/66/714195966.db2.gz RVRVTTIZIIGCLZ-HNNXBMFYSA-N 1 1 305.378 1.938 20 5 DDBDMO CCc1n[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000923295039 714300803 /nfs/dbraw/zinc/30/08/03/714300803.db2.gz QUUMHVCVHMDJCX-ZJUUUORDSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000923295039 714300804 /nfs/dbraw/zinc/30/08/04/714300804.db2.gz QUUMHVCVHMDJCX-ZJUUUORDSA-N 1 1 307.354 1.189 20 5 DDBDMO CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000923295039 714300808 /nfs/dbraw/zinc/30/08/08/714300808.db2.gz QUUMHVCVHMDJCX-ZJUUUORDSA-N 1 1 307.354 1.189 20 5 DDBDMO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923368373 714329931 /nfs/dbraw/zinc/32/99/31/714329931.db2.gz BHEBWAGJXUODRC-HIFRSBDPSA-N 1 1 323.393 1.312 20 5 DDBDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000932455631 714336393 /nfs/dbraw/zinc/33/63/93/714336393.db2.gz MGTPULJXCJEJCM-OAHLLOKOSA-N 1 1 321.377 1.963 20 5 DDBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000933623419 714633525 /nfs/dbraw/zinc/63/35/25/714633525.db2.gz QSOHSNUOASNRCI-ZDUSSCGKSA-N 1 1 323.397 1.433 20 5 DDBDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933765894 714667648 /nfs/dbraw/zinc/66/76/48/714667648.db2.gz BWDCRHQBAVHXQV-OAHLLOKOSA-N 1 1 318.377 1.901 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120443 714747325 /nfs/dbraw/zinc/74/73/25/714747325.db2.gz HFAHTNJCMULCOG-DGCLKSJQSA-N 1 1 307.350 1.951 20 5 DDBDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000934120443 714747326 /nfs/dbraw/zinc/74/73/26/714747326.db2.gz HFAHTNJCMULCOG-DGCLKSJQSA-N 1 1 307.350 1.951 20 5 DDBDMO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1F ZINC000934265790 714779959 /nfs/dbraw/zinc/77/99/59/714779959.db2.gz NPMPFAOUQJSPQG-HZPDHXFCSA-N 1 1 323.368 1.765 20 5 DDBDMO C[N@H+]1CC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000925419972 714850524 /nfs/dbraw/zinc/85/05/24/714850524.db2.gz RTXDAHNQVXYQJK-OAHLLOKOSA-N 1 1 318.377 1.973 20 5 DDBDMO